A0A077YXR6_TRITR Loading...

cyclin-dependent kinase

AlphaFold DB , UniProt , Accession A0A077YXR6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	33.6	Very low	247 Å²	247	119.2 Å²	119.2	100%	1.217	74%	0.735	S	S	*	*				0	128.5	0	-74.6	177.6	170.5	0	0	107.8
2	S	26.1	Very low	34.3	Very low	132 Å²	132	117.1 Å²	117.1	92%	0.923	73%	0.725	S	S	*	*			trans	-84	144.7	-167.1	-47.5	0	0	0	0	113.3
3	A	30.4	Very low	35.8	Very low	101 Å²	101	109.5 Å²	109.5	84%	0.835	68%	0.678	S	S	*	*			trans	-138.8	120.8	156.2	0	0	0	0	0	106.7
4	G	27.5	Very low	37.2	Very low	77 Å²	77	107.4 Å²	107.4	79%	0.794	66%	0.664	S	S	*	*			trans	-68	141.5	-168.4	0	0	0	0	0	113.5
5	M	26.5	Very low	38.3	Very low	189 Å²	189	110.3 Å²	110.3	93%	0.931	67%	0.666	S	S	*	*			trans	-86.7	109.2	173.2	-165.8	147.8	71.8	0	0	109.1
6	V	30.8	Very low	38.8	Very low	124 Å²	124	108.2 Å²	108.2	75%	0.752	65%	0.647	S	S	*	*			trans	-77.9	125.2	173.2	-178.6	0	0	0	0	108.1	S8	V6-S8 PolarHBondContact O-N 3.33Å
7	P	31	Very low	39.1	Very low	84 Å²	84	110.3 Å²	110.3	55%	0.545	65%	0.654	S	S	.	*			trans	-66.2	132.3	178	27.1	-34.1	0	0	0	110.8	F9	P7-F9 HydrophobicContact CB-CD2 4.45Å; P7-F9 HydrophobicContact CB-CE2 4.08Å; P7-F9 HydrophobicContact CB-CZ 4.48Å; P7-F9 HydrophobicContact CG-CD2 4.34Å; P7-F9 HydrophobicContact CG-CE2 3.7Å; P7-F9 HydrophobicContact CG-CZ 4.29Å; P7-F9 PolarHBondContact O-N 2.84Å
8	S	35.3	Very low	38.6	Very low	112 Å²	112	108.9 Å²	108.9	78%	0.783	67%	0.667	S	S	*	*			trans	-88.7	98	170.2	54	0	0	0	0	109.4	V6 S10	V6-S8 PolarHBondContact O-N 3.33Å; S8-S10 PolarHBondContact O-N 2.92Å
9	F	38.1	Very low	38.5	Very low	117 Å²	117	109.4 Å²	109.4	51%	0.513	68%	0.675	S	S	.	*			trans	-74.3	92.2	173.6	-71.7	-81.1	0	0	0	110.8	P7 L406	P7-F9 HydrophobicContact CB-CD2 4.45Å; P7-F9 HydrophobicContact CB-CE2 4.08Å; P7-F9 HydrophobicContact CB-CZ 4.48Å; P7-F9 HydrophobicContact CG-CD2 4.34Å; P7-F9 HydrophobicContact CG-CE2 3.7Å; P7-F9 HydrophobicContact CG-CZ 4.29Å; P7-F9 PolarHBondContact O-N 2.84Å; F9-L406 HydrophobicContact CB-CD2 4.41Å
10	S	46.4	Very low	38.2	Very low	71 Å²	71	112.5 Å²	112.5	50%	0.497	69%	0.687	S	S	.	*			trans	-105.3	122.9	159.9	54	0	0	0	0	108	S8 P12	S8-S10 PolarHBondContact O-N 2.92Å; S10-P12 VanDerWaalsContact O-CD 3.31Å; S10-P12 WeakPolarHBondContact O-CD 3.18Å
11	L	43.2	Very low	37.9	Very low	57 Å²	57	110.7 Å²	110.7	30%	0.298	69%	0.692	S	S	.	*	P	Polyproline II helix	trans	-67.6	118.9	174.1	-66.1	-178.9	0	0	0	109.2	V13 I215 L399 P400 I403	L11-V13 PolarHBondContact O-N 2.85Å; L11-I215 HydrophobicContact CB-CD1 4.33Å; L11-I215 HydrophobicContact CD1-CG1 4.14Å; L11-L399 HydrophobicContact CD1-CD2 4.37Å; L11-P400 HydrophobicContact CD2-CG 3.94Å; L11-I403 HydrophobicContact CD1-CG2 4.02Å; L11-I403 HydrophobicContact CD2-CG2 4.47Å; L11-I403 HydrophobicContact CG-CG2 4.24Å
12	P	41.8	Very low	37.9	Very low	94 Å²	94	108.5 Å²	108.5	61%	0.61	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-70.8	131.3	171.5	30.2	-32.2	0	0	0	109	S10 V14	S10-P12 VanDerWaalsContact O-CD 3.31Å; S10-P12 WeakPolarHBondContact O-CD 3.18Å; P12-V14 PolarHBondContact O-N 3.28Å
13	V	54.7	Low	38.4	Very low	19 Å²	19	107.1 Å²	107.1	12%	0.115	67%	0.666	C	S	.	*	P	Polyproline II helix	trans	-63.2	131.5	157.6	153.4	0	0	0	0	107.7	L11 H15 Y200 I215 F216 G248	L11-V13 PolarHBondContact O-N 2.85Å; V13-H15 PolarHBondContact O-N 2.9Å; V13-Y200 WeakPolarHBondContact CG1-OH 3.44Å; V13-I215 HydrophobicContact CG2-CG2 4.03Å; V13-F216 HydrophobicContact CG1-CZ 4.46Å; V13-F216 HydrophobicContact CG2-CE1 3.7Å; V13-F216 HydrophobicContact CG2-CZ 3.77Å; V13-G248 VanDerWaalsContact CG2-CA 3.46Å
14	V	55.2	Low	38.5	Very low	80 Å²	80	107.2 Å²	107.2	49%	0.485	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-75.5	126.4	-179.8	178.9	0	0	0	0	107.7	P12 E16 N212	P12-V14 PolarHBondContact O-N 3.28Å; V14-E16 WeakPolarHBondContact O-CG 3.44Å; V14-E16 PolarHBondContact O-N 3.07Å; V14-N212 PolarHBondContact N-OD1 2.89Å; V14-N212 PolarHBondContact O-ND2 3.32Å
15	H	52.8	Low	38.7	Very low	151 Å²	151	111 Å²	111	70%	0.699	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-61.2	125.4	170.9	-80.9	-82.2	0	0	0	109.3	V13 D17	V13-H15 PolarHBondContact O-N 2.9Å; H15-D17 PolarHBondContact O-N 3.4Å
16	E	47.2	Very low	38.9	Very low	76 Å²	76	105.8 Å²	105.8	36%	0.355	65%	0.649	S	S	.	*			trans	-86.7	61	-173.4	-55.6	-153.5	-163.7	0	0	111.4	V14 G18 S209 N212	V14-E16 WeakPolarHBondContact O-CG 3.44Å; V14-E16 PolarHBondContact O-N 3.07Å; E16-G18 PolarHBondContact O-N 3.34Å; E16-S209 VanDerWaalsContact CD-CB 3.46Å; E16-S209 VanDerWaalsContact CD-N 3.26Å; E16-S209 VanDerWaalsContact CD-OG 3.3Å; E16-S209 VanDerWaalsContact OE1-CB 3.23Å; E16-S209 WeakPolarHBondContact OE1-CB 3.47Å; E16-S209 PolarHBondContact OE1-N 2.88Å; E16-S209 PolarHBondContact OE1-OG 3.48Å; E16-S209 WeakPolarHBondContact OE2-CB 3.34Å; E16-S209 PolarHBondContact OE2-N 2.94Å; E16-N212 PolarHBondContact OE1-ND2 2.68Å
17	D	42.7	Very low	38.9	Very low	144 Å²	144	105.8 Å²	105.8	77%	0.77	65%	0.654	S	S	*	*			trans	-75.5	108.7	171	-69.2	-44	0	0	0	109.7	H15 S19	H15-D17 PolarHBondContact O-N 3.4Å; D17-S19 PolarHBondContact O-N 3.2Å
18	G	31.5	Very low	39.4	Very low	86 Å²	86	107.4 Å²	107.4	89%	0.887	67%	0.665	S	S	*	*			trans	-78.9	102.3	-174.6	0	0	0	0	0	114.4	E16	E16-G18 PolarHBondContact O-N 3.34Å
19	S	36.3	Very low	39.1	Very low	118 Å²	118	106 Å²	106	83%	0.825	66%	0.655	S	S	*	*			trans	-158.9	146.6	161.9	-166.7	0	0	0	0	112.4	D17	D17-S19 PolarHBondContact O-N 3.2Å
20	D	31.8	Very low	38.9	Very low	170 Å²	170	109.9 Å²	109.9	91%	0.909	67%	0.668	S	S	*	*			trans	-75.9	149.1	-177.4	-59.5	-80.5	0	0	0	114.2
21	G	32.8	Very low	38.2	Very low	76 Å²	76	114.9 Å²	114.9	78%	0.784	68%	0.683	S	S	*	*			trans	-171	29	-174.2	0	0	0	0	0	122.9
22	K	34.9	Very low	37.7	Very low	200 Å²	200	116.6 Å²	116.6	87%	0.87	71%	0.706	S	S	*	*			trans	27.7	121.5	158.6	-67	-179.4	177.3	175.5	0	122.8
23	S	35.1	Very low	37.4	Very low	103 Å²	103	116.8 Å²	116.8	72%	0.72	71%	0.71	S	S	*	*				71.9	125.4	129.5	66.6	0	0	0	0	125.2
24	S	32.5	Very low	36.4	Very low	103 Å²	103	122.7 Å²	122.7	72%	0.72	74%	0.74	S	S	*	*			trans	69	147.5	133.1	64.3	0	0	0	0	120.7
25	D	31.4	Very low	35.5	Very low	158 Å²	158	124.9 Å²	124.9	85%	0.845	75%	0.754	S	S	*	*			cis	-158.9	173.5	4	-137	-35.6	0	0	0	115
26	A	31	Very low	34.7	Very low	78 Å²	78	122 Å²	122	65%	0.645	76%	0.756	S	S	*	*			trans	53.7	95.9	147.4	0	0	0	0	0	124.1
27	S	31.6	Very low	34.1	Very low	124 Å²	124	124 Å²	124	87%	0.867	78%	0.778	S	S	*	*				41.4	159.3	114.4	-63.8	0	0	0	0	126.2
28	P	40.9	Very low	34.2	Very low	118 Å²	118	122.7 Å²	122.7	77%	0.766	78%	0.778	S	S	*	*			trans	-126.3	-174.2	-160.2	45.3	-30.9	0	0	0	116.1
29	S	29.9	Very low	34.4	Very low	83 Å²	83	123.9 Å²	123.9	58%	0.58	77%	0.772	S	S	*	*			trans	176.3	171.2	145.1	31.2	0	0	0	0	115.1
30	Y	33.8	Very low	34.4	Very low	199 Å²	199	124.9 Å²	124.9	78%	0.78	77%	0.773	S	S	*	*			trans	75	144.9	165	-50.8	-65.1	0	0	0	119
31	E	31.9	Very low	34.7	Very low	175 Å²	175	122.3 Å²	122.3	82%	0.818	77%	0.769	S	S	*	*			cis	-159.5	-172.6	-27.7	-141	166.7	-134.5	0	0	111.3
32	A	32.3	Very low	34.6	Very low	93 Å²	93	126.4 Å²	126.4	77%	0.769	77%	0.773	S	S	*	*			trans	-74	175.8	-179.5	0	0	0	0	0	113.3
33	S	35.5	Very low	34.7	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	77%	0.771	S	S	*	*			cis	-150.7	-152.9	24.6	53.9	0	0	0	0	111.6
34	D	34.2	Very low	34.4	Very low	142 Å²	142	121.7 Å²	121.7	76%	0.759	77%	0.769	S	S	*	*			cis	-160.1	-168.3	12.1	-136.5	-52.6	0	0	0	115.2
35	V	36.3	Very low	34.4	Very low	127 Å²	127	123.5 Å²	123.5	77%	0.77	78%	0.776	S	S	*	*			trans	-71.1	148.3	-171.7	157.9	0	0	0	0	119.2
36	A	35.2	Very low	34.3	Very low	91 Å²	91	121.9 Å²	121.9	75%	0.752	78%	0.777	S	S	*	*				-176.2	145.6	128.2	0	0	0	0	0	114.6
37	S	34.6	Very low	34.4	Very low	116 Å²	116	123.5 Å²	123.5	81%	0.811	78%	0.783	S	S	*	*			trans	-153	-159.2	175.5	-48.2	0	0	0	0	109
38	P	44.7	Very low	34.3	Very low	117 Å²	117	122.9 Å²	122.9	76%	0.76	78%	0.775	S	S	*	*			cis	-130.5	-179.8	-38.5	38.6	-23	0	0	0	113.5
39	S	36.7	Very low	33.8	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	78%	0.782	S	S	*	*			trans	175.3	122.2	137.9	32.4	0	0	0	0	111.7
40	V	36.1	Very low	33.8	Very low	139 Å²	139	129 Å²	129	84%	0.842	79%	0.791	S	S	*	*				66.7	110.4	85	179.7	0	0	0	0	113.4
41	S	37	Very low	33.8	Very low	117 Å²	117	128.2 Å²	128.2	82%	0.818	80%	0.797	S	S	*	*				-170.1	166.8	87.1	38.3	0	0	0	0	114.7
42	N	30.4	Very low	33.9	Very low	162 Å²	162	131.3 Å²	131.3	87%	0.866	80%	0.801	S	S	*	*			trans	-79.9	158.5	-178.2	-81.9	-35.9	0	0	0	114.5
43	V	36.6	Very low	34	Very low	139 Å²	139	136.6 Å²	136.6	84%	0.842	81%	0.806	S	S	*	*				-172	139.2	112.1	152.7	0	0	0	0	108.3
44	G	29.9	Very low	34.4	Very low	65 Å²	65	140 Å²	140	67%	0.67	81%	0.809	S	S	*	*			trans	-106.5	158.2	178.3	0	0	0	0	0	113.5
45	T	32.5	Very low	34.9	Very low	141 Å²	141	142.2 Å²	142.2	87%	0.865	81%	0.812	S	S	*	*			trans	-160.7	145.4	165.5	-2.7	0	0	0	0	111.4
46	S	30.2	Very low	35.3	Very low	124 Å²	124	141 Å²	141	87%	0.867	82%	0.815	S	S	*	*			trans	-78.8	137.9	-177.4	-178.8	0	0	0	0	112.3
47	S	32.1	Very low	36.3	Very low	111 Å²	111	140.1 Å²	140.1	78%	0.776	82%	0.815	S	S	*	*			trans	-151.2	132.8	163.6	60.1	0	0	0	0	115.2
48	T	28.8	Very low	37.7	Very low	112 Å²	112	140.4 Å²	140.4	69%	0.687	80%	0.798	S	S	*	*			trans	-37	138.7	177	47	0	0	0	0	117.8	K50	T48-K50 PolarHBondContact O-N 2.63Å
49	V	30.4	Very low	38.9	Very low	150 Å²	150	142.4 Å²	142.4	91%	0.909	79%	0.79	S	S	*	*			trans	-69.7	88.1	174.4	-175.7	0	0	0	0	111.4
50	K	31.1	Very low	40.4	Very low	178 Å²	178	138.2 Å²	138.2	77%	0.774	76%	0.757	S	S	*	*			trans	-81	118.9	170.3	-69.6	179.2	-179.8	174.2	0	110.5	T48 R52	T48-K50 PolarHBondContact O-N 2.63Å; K50-R52 PolarHBondContact O-N 2.71Å
51	M	32.9	Very low	42.4	Very low	184 Å²	184	135.2 Å²	135.2	91%	0.906	74%	0.74	S	S	*	*			trans	-60.1	113.2	173.6	-73	-161.8	-169.4	0	0	111.1	K53	M51-K53 PolarHBondContact O-N 3.01Å
52	R	33.9	Very low	44	Very low	239 Å²	239	132.6 Å²	132.6	90%	0.902	71%	0.714	S	S	*	*			trans	-71	98.1	-179.5	-170.6	176	-175.3	176.8	2.9	110.9	K50 K54	K50-R52 PolarHBondContact O-N 2.71Å; R52-K54 PolarHBondContact O-N 3.14Å; R52-K54 VanDerWaalsContact O-N 3.1Å
53	K	35.3	Very low	46.1	Very low	204 Å²	204	133.9 Å²	133.9	89%	0.887	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-49.8	117.2	168.2	-71.1	-177.1	177.8	178.9	0	109	M51	M51-K53 PolarHBondContact O-N 3.01Å
54	K	44.2	Very low	48	Very low	170 Å²	170	129.2 Å²	129.2	74%	0.739	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-70	138.8	178.7	-76.6	-177.3	175.7	177	0	109.8	R52 A56	R52-K54 PolarHBondContact O-N 3.14Å; R52-K54 VanDerWaalsContact O-N 3.1Å; K54-A56 PolarHBondContact O-N 3.26Å
55	K	44	Very low	49.8	Very low	189 Å²	189	126.1 Å²	126.1	82%	0.822	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-55.5	129.9	171.8	-75.3	-173	173.2	-172.1	0	109.6
56	A	45.4	Very low	51.6	Low	102 Å²	102	120.2 Å²	120.2	84%	0.843	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	142.1	160	0	0	0	0	0	108.7	K54	K54-A56 PolarHBondContact O-N 3.26Å
57	G	56	Low	53.7	Low	72 Å²	72	122.7 Å²	122.7	74%	0.742	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.9	11.9	-179.6	0	0	0	0	0	116.8	R59	G57-R59 PolarHBondContact O-N 3.05Å
58	R	64.5	Low	55.5	Low	122 Å²	122	120.1 Å²	120.1	46%	0.46	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-69.2	117.6	165.9	172.3	170.8	169.6	166	-8.6	109.7	W60 D64	R58-W60 PolarHBondContact O-NE1 3.39Å; R58-D64 IonicContact CZ-OD2 3.15Å; R58-D64 IonicContact NH2-OD1 3.24Å; R58-D64 PolarHBondContact NH2-OD1 2.83Å; R58-D64 IonicContact NH2-OD2 3.49Å; R58-D64 PolarHBondContact NH2-OD2 2.82Å
59	R	69.5	Low	57.3	Low	160 Å²	160	115 Å²	115	60%	0.604	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-66.8	126.4	161.3	-163.5	173.8	176.1	160.3	-0.2	108.7	G57 E83 N86	G57-R59 PolarHBondContact O-N 3.05Å; R59-E83 IonicContact CZ-OE1 3.21Å; R59-E83 IonicContact NH1-OE1 3.99Å; R59-E83 VanDerWaalsContact NH2-CG 3.32Å; R59-E83 IonicContact NH2-OE1 2.81Å; R59-E83 PolarHBondContact NH2-OE1 3.09Å; R59-N86 VanDerWaalsContact CA-OD1 3.29Å; R59-N86 WeakPolarHBondContact CA-OD1 3.26Å; R59-N86 HydrophobicContact CG-CB 4.43Å; R59-N86 WeakPolarHBondContact CG-OD1 3.34Å
60	W	67.9	Low	59	Low	22 Å²	22	110.1 Å²	110.1	8%	0.083	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-83.6	133.3	176.7	-58.3	92.4	0	0	0	109.4	R58 D64 I65 R68 N86 L91 N92	R58-W60 PolarHBondContact O-NE1 3.39Å; W60-D64 HydrophobicContact CB-CB 4.28Å; W60-D64 HydrophobicContact CE3-CB 3.86Å; W60-I65 HydrophobicContact CB-CD1 4.28Å; W60-I65 HydrophobicContact CB-CG1 3.87Å; W60-R68 VanDerWaalsContact CZ3-NH1 3.34Å; W60-N86 PolarHBondContact N-OD1 2.91Å; W60-N86 PolarHBondContact O-ND2 3.07Å; W60-L91 VanDerWaalsContact CE2-O 3.27Å; W60-L91 WeakPolarHBondContact CZ2-O 3.47Å; W60-L91 PolarHBondContact NE1-O 2.74Å; W60-N92 PolarHBondContact NE1-OD1 2.78Å
61	T	78.8	Confident	60.5	Low	77 Å²	77	101.8 Å²	101.8	47%	0.472	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-73	158.6	171.5	63.2	0	0	0	0	110.3	R63 D64 I65	T61-R63 VanDerWaalsContact C-N 3.25Å; T61-R63 PolarHBondContact O-N 3.15Å; T61-D64 PolarHBondContact N-OD2 2.83Å; T61-D64 WeakPolarHBondContact O-CA 3.02Å; T61-D64 WeakPolarHBondContact O-CB 3.25Å; T61-D64 PolarHBondContact O-N 3.07Å; T61-D64 PolarHBondContact OG1-N 3.45Å; T61-D64 VanDerWaalsContact OG1-N 3.13Å; T61-D64 PolarHBondContact OG1-OD2 2.84Å; T61-I65 WeakPolarHBondContact O-CG1 3.35Å; T61-I65 PolarHBondContact O-N 3.06Å
62	E	69.9	Low	61.5	Low	61 Å²	61	93.3 Å²	93.3	29%	0.285	44%	0.44	S	S	.	.	H	α-helix	trans	-48.7	-47.9	171.6	-179.1	-173.9	-155.7	0	0	111.8	D64 I65 Q66 R76 L77 V82	E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 2.82Å; E62-I65 WeakPolarHBondContact O-CA 3.43Å; E62-I65 WeakPolarHBondContact O-CB 3.37Å; E62-I65 PolarHBondContact O-N 3.08Å; E62-Q66 WeakPolarHBondContact O-CG 3.47Å; E62-Q66 PolarHBondContact O-N 3.28Å; E62-R76 WeakPolarHBondContact OE1-CA 3.28Å; E62-R76 WeakPolarHBondContact OE1-CB 3.42Å; E62-L77 PolarHBondContact OE1-N 3.42Å; E62-V82 HydrophobicContact CB-CG2 4.23Å; E62-V82 HydrophobicContact CG-CG2 4.34Å
63	R	74.4	Confident	62.7	Low	189 Å²	189	85.5 Å²	85.5	71%	0.713	43%	0.427	S	S	*	.	H	α-helix	trans	-62.8	-33.7	176.8	-67.5	-179.5	178.4	173.7	-1	113.6	T61 K67	T61-R63 VanDerWaalsContact C-N 3.25Å; T61-R63 PolarHBondContact O-N 3.15Å; R63-K67 WeakPolarHBondContact O-CB 3.32Å; R63-K67 VanDerWaalsContact O-CG 3.31Å; R63-K67 WeakPolarHBondContact O-CG 3.38Å; R63-K67 PolarHBondContact O-N 3.3Å
64	D	76	Confident	63.8	Low	41 Å²	41	79.9 Å²	79.9	22%	0.219	41%	0.407	C	S	.	.	H	α-helix	trans	-66.7	-41.2	171.5	-66.1	-59	0	0	0	111.1	R58 W60 T61 E62 R68	R58-D64 IonicContact CZ-OD2 3.15Å; R58-D64 IonicContact NH2-OD1 3.24Å; R58-D64 PolarHBondContact NH2-OD1 2.83Å; R58-D64 IonicContact NH2-OD2 3.49Å; R58-D64 PolarHBondContact NH2-OD2 2.82Å; W60-D64 HydrophobicContact CB-CB 4.28Å; W60-D64 HydrophobicContact CE3-CB 3.86Å; T61-D64 PolarHBondContact N-OD2 2.83Å; T61-D64 WeakPolarHBondContact O-CA 3.02Å; T61-D64 WeakPolarHBondContact O-CB 3.25Å; T61-D64 PolarHBondContact O-N 3.07Å; T61-D64 PolarHBondContact OG1-N 3.45Å; T61-D64 VanDerWaalsContact OG1-N 3.13Å; T61-D64 PolarHBondContact OG1-OD2 2.84Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 2.82Å; D64-R68 WeakPolarHBondContact O-CB 3.08Å; D64-R68 PolarHBondContact O-N 3.14Å
65	I	68.7	Low	64.6	Low	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-66.9	-49.5	-179.4	-65.5	173.5	0	0	0	110.4	W60 T61 E62 K67 R68 L69 L77 V82 L85 L91	W60-I65 HydrophobicContact CB-CD1 4.28Å; W60-I65 HydrophobicContact CB-CG1 3.87Å; T61-I65 WeakPolarHBondContact O-CG1 3.35Å; T61-I65 PolarHBondContact O-N 3.06Å; E62-I65 WeakPolarHBondContact O-CA 3.43Å; E62-I65 WeakPolarHBondContact O-CB 3.37Å; E62-I65 PolarHBondContact O-N 3.08Å; I65-K67 PolarHBondContact O-N 2.92Å; I65-R68 PolarHBondContact O-N 2.79Å; I65-R68 VanDerWaalsContact O-N 3.12Å; I65-L69 HydrophobicContact CG2-CD1 3.8Å; I65-L69 HydrophobicContact CG2-CG 4.36Å; I65-L69 PolarHBondContact O-N 3.34Å; I65-L77 HydrophobicContact CG2-CD1 3.71Å; I65-V82 HydrophobicContact CD1-CB 4.35Å; I65-V82 HydrophobicContact CD1-CG1 3.95Å; I65-V82 HydrophobicContact CD1-CG2 4.39Å; I65-L85 HydrophobicContact CD1-CB 4.08Å; I65-L85 HydrophobicContact CG2-CD1 3.68Å; I65-L91 HydrophobicContact CD1-CD1 4.28Å; I65-L91 HydrophobicContact CG1-CD1 3.86Å; I65-L91 HydrophobicContact CG2-CD1 4.47Å
66	Q	69	Low	65.5	Low	18 Å²	18	72.8 Å²	72.8	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-49.5	-57.3	175	-74.5	175.3	-33.8	0	0	111.1	E62 R68 S70 L71 A73 L75	E62-Q66 WeakPolarHBondContact O-CG 3.47Å; E62-Q66 PolarHBondContact O-N 3.28Å; Q66-R68 VanDerWaalsContact C-N 3.28Å; Q66-R68 PolarHBondContact O-N 2.86Å; Q66-S70 WeakPolarHBondContact O-CA 3.38Å; Q66-S70 PolarHBondContact O-N 2.81Å; Q66-L71 PolarHBondContact O-N 3.09Å; Q66-A73 PolarHBondContact NE2-O 3.03Å; Q66-L75 PolarHBondContact NE2-O 3.2Å
67	K	74.1	Confident	66.2	Low	176 Å²	176	68.3 Å²	68.3	77%	0.765	33%	0.333	S	S	*	.	H	α-helix	trans	-58.3	-39	179.6	-72.8	-179.3	178.3	-170.5	0	112.4	R63 I65 S70	R63-K67 WeakPolarHBondContact O-CB 3.32Å; R63-K67 VanDerWaalsContact O-CG 3.31Å; R63-K67 WeakPolarHBondContact O-CG 3.38Å; R63-K67 PolarHBondContact O-N 3.3Å; I65-K67 PolarHBondContact O-N 2.92Å; K67-S70 PolarHBondContact O-N 3.33Å
68	R	70.1	Confident	66.3	Low	57 Å²	57	67.1 Å²	67.1	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-81.5	-32.1	-172.7	-176.6	166.6	-172.9	175.9	-5.3	114.6	W60 D64 I65 Q66 S70 L91 R93 L95	W60-R68 VanDerWaalsContact CZ3-NH1 3.34Å; D64-R68 WeakPolarHBondContact O-CB 3.08Å; D64-R68 PolarHBondContact O-N 3.14Å; I65-R68 PolarHBondContact O-N 2.79Å; I65-R68 VanDerWaalsContact O-N 3.12Å; Q66-R68 VanDerWaalsContact C-N 3.28Å; Q66-R68 PolarHBondContact O-N 2.86Å; R68-S70 VanDerWaalsContact C-N 3.3Å; R68-L91 PolarHBondContact NH1-O 2.87Å; R68-L91 PolarHBondContact NH2-O 3.12Å; R68-R93 PolarHBondContact NH2-O 3Å; R68-L95 HydrophobicContact CG-CD1 3.46Å; R68-L95 VanDerWaalsContact CG-CD1 3.46Å
69	L	66.7	Low	66.4	Low	3 Å²	3	68 Å²	68	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-85.2	-7.5	169.7	-65.5	179.7	0	0	0	112.3	I65 L71 L85 L91 L95 R100 L104 I107	I65-L69 HydrophobicContact CG2-CD1 3.8Å; I65-L69 HydrophobicContact CG2-CG 4.36Å; I65-L69 PolarHBondContact O-N 3.34Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 HydrophobicContact CB-CD1 4.08Å; L69-L71 HydrophobicContact CB-CG 3.88Å; L69-L71 HydrophobicContact CD1-CD1 4.28Å; L69-L85 HydrophobicContact CD1-CD1 4.1Å; L69-L91 HydrophobicContact CD2-CD2 4.26Å; L69-L95 HydrophobicContact CD2-CD1 4.46Å; L69-R100 HydrophobicContact CD2-CG 4.17Å; L69-L104 HydrophobicContact CB-CD2 4.32Å; L69-I107 HydrophobicContact CD1-CD1 3.46Å; L69-I107 VanDerWaalsContact CD1-CD1 3.46Å
70	S	66.6	Low	66	Low	48 Å²	48	63.8 Å²	63.8	34%	0.336	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	28.5	179.8	-47.5	0	0	0	0	113.9	Q66 K67 R68 R100 R169	Q66-S70 WeakPolarHBondContact O-CA 3.38Å; Q66-S70 PolarHBondContact O-N 2.81Å; K67-S70 PolarHBondContact O-N 3.33Å; R68-S70 VanDerWaalsContact C-N 3.3Å; S70-R100 PolarHBondContact OG-NH1 3.4Å; S70-R169 PolarHBondContact O-NH2 2.92Å
71	L	63.1	Low	65.7	Low	3 Å²	3	63.9 Å²	63.9	2%	0.016	32%	0.323	C	S	.	.			trans	-66.8	168.2	178	-62.2	174.3	0	0	0	111.7	Q66 L69 L75 L77 L104 F109 R169	Q66-L71 PolarHBondContact O-N 3.09Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 HydrophobicContact CB-CD1 4.08Å; L69-L71 HydrophobicContact CB-CG 3.88Å; L69-L71 HydrophobicContact CD1-CD1 4.28Å; L71-L75 HydrophobicContact CB-CD2 4.02Å; L71-L75 HydrophobicContact CD1-CD2 3.92Å; L71-L75 HydrophobicContact CD2-CD2 4.18Å; L71-L75 HydrophobicContact CG-CD2 4.25Å; L71-L77 HydrophobicContact CD1-CD1 3.93Å; L71-L77 HydrophobicContact CD1-CD2 4.25Å; L71-L77 HydrophobicContact CD1-CG 4.41Å; L71-L104 HydrophobicContact CD2-CD2 3.67Å; L71-F109 HydrophobicContact CD2-CD1 4.3Å; L71-F109 HydrophobicContact CD2-CD2 4.28Å; L71-F109 HydrophobicContact CD2-CE1 3.83Å; L71-F109 HydrophobicContact CD2-CE2 3.79Å; L71-F109 HydrophobicContact CD2-CZ 3.57Å; L71-R169 PolarHBondContact O-NH1 2.92Å
72	P	53.7	Low	65.1	Low	6 Å²	6	60.8 Å²	60.8	4%	0.039	30%	0.304	C	S	.	.			trans	-58.3	159.9	163.9	-18.2	31.8	0	0	0	111.4	D74 L75 T175 H177	P72-D74 WeakPolarHBondContact CB-OD1 3.38Å; P72-L75 HydrophobicContact CB-CB 3.88Å; P72-L75 HydrophobicContact CG-CB 4.13Å; P72-T175 HydrophobicContact CB-CG2 4.28Å; P72-T175 HydrophobicContact CG-CG2 4.49Å; P72-H177 HydrophobicContact CG-CB 4.13Å
73	A	57.9	Low	64.9	Low	75 Å²	75	62.4 Å²	62.4	62%	0.62	31%	0.312	S	S	*	.	S	Bend	trans	-91.1	-31.7	-174.1	0	0	0	0	0	112.5	Q66	Q66-A73 PolarHBondContact NE2-O 3.03Å
74	D	59.4	Low	64.5	Low	87 Å²	87	60.9 Å²	60.9	47%	0.465	31%	0.31	S	S	.	.	S	Bend	trans	-64	-35.1	166.5	54.2	-67	0	0	0	113.3	P72 R76 H177	P72-D74 WeakPolarHBondContact CB-OD1 3.38Å; D74-R76 PolarHBondContact O-N 3.36Å; D74-H177 IonicContact OD2-CE1 3.68Å; D74-H177 PolarHBondContact OD2-CE1 2.9Å; D74-H177 IonicContact OD2-ND1 3.2Å
75	L	61.4	Low	63.9	Low	13 Å²	13	59.2 Å²	59.2	7%	0.068	30%	0.301	C	S	.	.			trans	-64.7	93	-178.9	-177.4	102	0	0	0	111.5	Q66 L71 P72 L77 F109 T137	Q66-L75 PolarHBondContact NE2-O 3.2Å; L71-L75 HydrophobicContact CB-CD2 4.02Å; L71-L75 HydrophobicContact CD1-CD2 3.92Å; L71-L75 HydrophobicContact CD2-CD2 4.18Å; L71-L75 HydrophobicContact CG-CD2 4.25Å; P72-L75 HydrophobicContact CB-CB 3.88Å; P72-L75 HydrophobicContact CG-CB 4.13Å; L75-L77 HydrophobicContact CD2-CD2 3.91Å; L75-F109 HydrophobicContact CD1-CZ 4.26Å; L75-F109 HydrophobicContact CD2-CE2 4.29Å; L75-F109 HydrophobicContact CD2-CZ 3.7Å; L75-T137 HydrophobicContact CD1-CG2 3.79Å; L75-T137 HydrophobicContact CG-CG2 4.06Å
76	R	62.7	Low	63.9	Low	196 Å²	196	60.5 Å²	60.5	74%	0.74	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-74.4	128.9	172.8	-62.5	-171.2	-170.8	-172.6	3.7	110.9	E62 D74 T137	E62-R76 WeakPolarHBondContact OE1-CA 3.28Å; E62-R76 WeakPolarHBondContact OE1-CB 3.42Å; D74-R76 PolarHBondContact O-N 3.36Å; R76-T137 WeakPolarHBondContact O-CG2 3.36Å
77	L	59.8	Low	63.8	Low	9 Å²	9	65.1 Å²	65.1	5%	0.047	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-94.4	134.2	178.2	-67.1	176.6	0	0	0	109.6	E62 I65 L71 L75 V81 V82 L85	E62-L77 PolarHBondContact OE1-N 3.42Å; I65-L77 HydrophobicContact CG2-CD1 3.71Å; L71-L77 HydrophobicContact CD1-CD1 3.93Å; L71-L77 HydrophobicContact CD1-CD2 4.25Å; L71-L77 HydrophobicContact CD1-CG 4.41Å; L75-L77 HydrophobicContact CD2-CD2 3.91Å; L77-V81 HydrophobicContact CD2-CG1 4.37Å; L77-V82 HydrophobicContact CB-CG2 3.81Å; L77-L85 HydrophobicContact CD1-CD1 4.37Å
78	P	57	Low	63.3	Low	47 Å²	47	58.6 Å²	58.6	31%	0.305	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56.1	147.7	173.8	-24.5	32.4	0	0	0	111.7	S80 V81 V82 L136	P78-S80 PolarHBondContact O-N 3.01Å; P78-S80 VanDerWaalsContact O-N 3.14Å; P78-V81 HydrophobicContact CB-CG2 4.26Å; P78-V81 HydrophobicContact CG-CG2 4.19Å; P78-V81 WeakPolarHBondContact O-CA 3.36Å; P78-V81 WeakPolarHBondContact O-CB 3.25Å; P78-V81 PolarHBondContact O-N 2.99Å; P78-V82 PolarHBondContact O-N 2.89Å; P78-L136 WeakPolarHBondContact CD-O 3.39Å; P78-L136 WeakPolarHBondContact CG-O 3.48Å
79	L	67.7	Low	62.8	Low	139 Å²	139	60 Å²	60	73%	0.728	33%	0.329	S	S	*	.	H	α-helix	trans	-53.3	-38	177.8	-63.1	175.8	0	0	0	111.8	V81 V82 E83	L79-V81 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 2.93Å; L79-V82 CarbonylContact O-C 3.41Å; L79-V82 PolarHBondContact O-N 3.14Å; L79-E83 WeakPolarHBondContact O-CB 3.09Å; L79-E83 VanDerWaalsContact O-CG 3.3Å; L79-E83 WeakPolarHBondContact O-CG 2.9Å; L79-E83 PolarHBondContact O-N 3.13Å
80	S	60.6	Low	62.5	Low	73 Å²	73	62 Å²	62	51%	0.51	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-32.9	175.7	58.3	0	0	0	0	114.2	P78 K84	P78-S80 PolarHBondContact O-N 3.01Å; P78-S80 VanDerWaalsContact O-N 3.14Å; S80-K84 WeakPolarHBondContact O-CB 2.91Å; S80-K84 WeakPolarHBondContact O-CG 2.91Å; S80-K84 PolarHBondContact O-N 2.73Å; S80-K84 VanDerWaalsContact O-N 3.09Å
81	V	61.5	Low	62.2	Low	24 Å²	24	59.7 Å²	59.7	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-76.2	-43.5	173.7	179.7	0	0	0	0	109.9	L77 P78 L79 E83 K84 L85 I107	L77-V81 HydrophobicContact CD2-CG1 4.37Å; P78-V81 HydrophobicContact CB-CG2 4.26Å; P78-V81 HydrophobicContact CG-CG2 4.19Å; P78-V81 WeakPolarHBondContact O-CA 3.36Å; P78-V81 WeakPolarHBondContact O-CB 3.25Å; P78-V81 PolarHBondContact O-N 2.99Å; L79-V81 VanDerWaalsContact C-N 3.34Å; L79-V81 PolarHBondContact O-N 2.93Å; V81-E83 PolarHBondContact O-N 3.26Å; V81-K84 PolarHBondContact O-N 2.96Å; V81-L85 HydrophobicContact CG1-CD1 3.86Å; V81-L85 HydrophobicContact CG1-CG 4.44Å; V81-L85 WeakPolarHBondContact O-CB 3.2Å; V81-L85 VanDerWaalsContact O-CG 3.26Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 3.4Å; V81-I107 HydrophobicContact CG1-CG1 4.39Å; V81-I107 HydrophobicContact CG1-CG2 4.1Å
82	V	66.1	Low	62.3	Low	11 Å²	11	63.1 Å²	63.1	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-36.2	174	171	0	0	0	0	111.5	E62 I65 L77 P78 L79 N86	E62-V82 HydrophobicContact CB-CG2 4.23Å; E62-V82 HydrophobicContact CG-CG2 4.34Å; I65-V82 HydrophobicContact CD1-CB 4.35Å; I65-V82 HydrophobicContact CD1-CG1 3.95Å; I65-V82 HydrophobicContact CD1-CG2 4.39Å; L77-V82 HydrophobicContact CB-CG2 3.81Å; P78-V82 PolarHBondContact O-N 2.89Å; L79-V82 CarbonylContact O-C 3.41Å; L79-V82 PolarHBondContact O-N 3.14Å; V82-N86 WeakPolarHBondContact O-CB 3.49Å; V82-N86 PolarHBondContact O-N 2.92Å; V82-N86 PolarHBondContact O-ND2 2.95Å
83	E	66.8	Low	62.7	Low	95 Å²	95	71.7 Å²	71.7	44%	0.444	37%	0.373	S	S	.	.	H	α-helix	trans	-76.6	-43.2	178.7	-75.2	-179	153.6	0	0	112.9	R59 L79 V81 L85 N86 T87	R59-E83 IonicContact CZ-OE1 3.21Å; R59-E83 IonicContact NH1-OE1 3.99Å; R59-E83 VanDerWaalsContact NH2-CG 3.32Å; R59-E83 IonicContact NH2-OE1 2.81Å; R59-E83 PolarHBondContact NH2-OE1 3.09Å; L79-E83 WeakPolarHBondContact O-CB 3.09Å; L79-E83 VanDerWaalsContact O-CG 3.3Å; L79-E83 WeakPolarHBondContact O-CG 2.9Å; L79-E83 PolarHBondContact O-N 3.13Å; V81-E83 PolarHBondContact O-N 3.26Å; E83-L85 VanDerWaalsContact C-N 3.26Å; E83-L85 PolarHBondContact O-N 3.32Å; E83-N86 PolarHBondContact O-N 2.79Å; E83-N86 VanDerWaalsContact O-N 3.13Å; E83-T87 PolarHBondContact O-N 2.68Å; E83-T87 PolarHBondContact O-OG1 2.85Å
84	K	65.1	Low	63.1	Low	157 Å²	157	74.1 Å²	74.1	68%	0.683	38%	0.383	S	S	*	.	H	α-helix	trans	-57.1	-40.2	169.4	-77.1	177.5	177.6	-177.3	0	112.2	S80 V81 N86 T87 T88	S80-K84 WeakPolarHBondContact O-CB 2.91Å; S80-K84 WeakPolarHBondContact O-CG 2.91Å; S80-K84 PolarHBondContact O-N 2.73Å; S80-K84 VanDerWaalsContact O-N 3.09Å; V81-K84 PolarHBondContact O-N 2.96Å; K84-N86 VanDerWaalsContact C-N 3.35Å; K84-T87 PolarHBondContact O-N 2.99Å; K84-T87 PolarHBondContact O-OG1 2.9Å; K84-T88 PolarHBondContact O-N 2.87Å; K84-T88 VanDerWaalsContact O-N 3.08Å; K84-T88 PolarHBondContact O-OG1 2.96Å
85	L	64.1	Low	63.3	Low	7 Å²	7	71 Å²	71	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-72.6	-28.1	177.7	-71.7	171.9	0	0	0	113.2	I65 L69 L77 V81 E83 T88 L91 I107	I65-L85 HydrophobicContact CD1-CB 4.08Å; I65-L85 HydrophobicContact CG2-CD1 3.68Å; L69-L85 HydrophobicContact CD1-CD1 4.1Å; L77-L85 HydrophobicContact CD1-CD1 4.37Å; V81-L85 HydrophobicContact CG1-CD1 3.86Å; V81-L85 HydrophobicContact CG1-CG 4.44Å; V81-L85 WeakPolarHBondContact O-CB 3.2Å; V81-L85 VanDerWaalsContact O-CG 3.26Å; V81-L85 WeakPolarHBondContact O-CG 3.41Å; V81-L85 PolarHBondContact O-N 3.4Å; E83-L85 VanDerWaalsContact C-N 3.26Å; E83-L85 PolarHBondContact O-N 3.32Å; L85-T88 WeakPolarHBondContact CA-OG1 3.47Å; L85-T88 PolarHBondContact O-OG1 2.92Å; L85-L91 HydrophobicContact CB-CD1 3.88Å; L85-L91 WeakPolarHBondContact O-CD1 3.34Å; L85-I107 HydrophobicContact CD1-CD1 3.68Å; L85-I107 HydrophobicContact CD1-CG1 4.09Å; L85-I107 HydrophobicContact CD2-CD1 3.89Å; L85-I107 HydrophobicContact CD2-CG1 4Å; L85-I107 HydrophobicContact CG-CD1 4.34Å; L85-I107 HydrophobicContact CG-CG1 4.39Å
86	N	67.4	Low	63.7	Low	27 Å²	27	74.6 Å²	74.6	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-74.1	-31.1	173.1	-93	-69	0	0	0	113.5	R59 W60 V82 E83 K84	R59-N86 VanDerWaalsContact CA-OD1 3.29Å; R59-N86 WeakPolarHBondContact CA-OD1 3.26Å; R59-N86 HydrophobicContact CG-CB 4.43Å; R59-N86 WeakPolarHBondContact CG-OD1 3.34Å; W60-N86 PolarHBondContact N-OD1 2.91Å; W60-N86 PolarHBondContact O-ND2 3.07Å; V82-N86 WeakPolarHBondContact O-CB 3.49Å; V82-N86 PolarHBondContact O-N 2.92Å; V82-N86 PolarHBondContact O-ND2 2.95Å; E83-N86 PolarHBondContact O-N 2.79Å; E83-N86 VanDerWaalsContact O-N 3.13Å; K84-N86 VanDerWaalsContact C-N 3.35Å
87	T	67.9	Low	63.7	Low	115 Å²	115	75.9 Å²	75.9	71%	0.706	39%	0.393	S	S	*	.	H	α-helix	trans	-82.3	-26.2	175.6	51.4	0	0	0	0	113	E83 K84	E83-T87 PolarHBondContact O-N 2.68Å; E83-T87 PolarHBondContact O-OG1 2.85Å; K84-T87 PolarHBondContact O-N 2.99Å; K84-T87 PolarHBondContact O-OG1 2.9Å
88	T	62.5	Low	63.9	Low	38 Å²	38	83.9 Å²	83.9	23%	0.233	43%	0.428	C	S	.	.	S	Bend	trans	-69.5	124.2	173.6	46.3	0	0	0	0	113	K84 L85 I90 L91	K84-T88 PolarHBondContact O-N 2.87Å; K84-T88 VanDerWaalsContact O-N 3.08Å; K84-T88 PolarHBondContact O-OG1 2.96Å; L85-T88 WeakPolarHBondContact CA-OG1 3.47Å; L85-T88 PolarHBondContact O-OG1 2.92Å; T88-I90 PolarHBondContact O-N 3.39Å; T88-L91 PolarHBondContact O-N 2.89Å
89	P	59.8	Low	64.1	Low	87 Å²	87	83.1 Å²	83.1	57%	0.565	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.4	-10.5	-176.7	27.6	-35.6	0	0	0	114.1	L91 N92	P89-L91 VanDerWaalsContact C-N 3.29Å; P89-L91 PolarHBondContact O-N 2.9Å; P89-N92 PolarHBondContact O-N 2.88Å
90	I	61.6	Low	64	Low	44 Å²	44	80.5 Å²	80.5	23%	0.226	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-58.8	-40.7	178.6	-44.3	177.9	0	0	0	110.6	T88 N92 R93 L95	T88-I90 PolarHBondContact O-N 3.39Å; I90-N92 PolarHBondContact O-N 3.15Å; I90-N92 VanDerWaalsContact O-N 3.12Å; I90-R93 PolarHBondContact O-N 2.95Å; I90-L95 HydrophobicContact CG2-CD2 3.67Å
91	L	59.9	Low	63.9	Low	0 Å²	0	86.3 Å²	86.3	0%	0	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-72	2.6	176.1	-69.7	-160.4	0	0	0	114.6	W60 I65 R68 L69 L85 T88 P89 L95	W60-L91 VanDerWaalsContact CE2-O 3.27Å; W60-L91 WeakPolarHBondContact CZ2-O 3.47Å; W60-L91 PolarHBondContact NE1-O 2.74Å; I65-L91 HydrophobicContact CD1-CD1 4.28Å; I65-L91 HydrophobicContact CG1-CD1 3.86Å; I65-L91 HydrophobicContact CG2-CD1 4.47Å; R68-L91 PolarHBondContact NH1-O 2.87Å; R68-L91 PolarHBondContact NH2-O 3.12Å; L69-L91 HydrophobicContact CD2-CD2 4.26Å; L85-L91 HydrophobicContact CB-CD1 3.88Å; L85-L91 WeakPolarHBondContact O-CD1 3.34Å; T88-L91 PolarHBondContact O-N 2.89Å; P89-L91 VanDerWaalsContact C-N 3.29Å; P89-L91 PolarHBondContact O-N 2.9Å; L91-L95 HydrophobicContact CD2-CD1 4.04Å
92	N	64.2	Low	63.7	Low	75 Å²	75	86.8 Å²	86.8	40%	0.401	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-102.4	-1.9	172.2	-70.8	-47.1	0	0	0	114	W60 P89 I90	W60-N92 PolarHBondContact NE1-OD1 2.78Å; P89-N92 PolarHBondContact O-N 2.88Å; I90-N92 PolarHBondContact O-N 3.15Å; I90-N92 VanDerWaalsContact O-N 3.12Å
93	R	64.1	Low	63.5	Low	186 Å²	186	86.3 Å²	86.3	70%	0.702	42%	0.418	S	S	*	.	S	Bend	trans	-119.1	161.4	-179.9	-60.6	-177.9	-177.3	-178.8	1.5	112.3	R68 I90 L95	R68-R93 PolarHBondContact NH2-O 3Å; I90-R93 PolarHBondContact O-N 2.95Å; R93-L95 PolarHBondContact O-N 2.91Å
94	P	65.8	Low	63.1	Low	127 Å²	127	82.9 Å²	82.9	83%	0.825	40%	0.403	S	S	*	.			trans	-55.6	125.4	168.7	-24.5	35.2	0	0	0	110.8	T96	P94-T96 PolarHBondContact O-N 2.87Å
95	L	62.9	Low	62.9	Low	22 Å²	22	77.8 Å²	77.8	12%	0.115	39%	0.387	C	S	.	.			trans	-84.5	108.5	-177.4	-77.4	155.8	0	0	0	110.3	R68 L69 I90 L91 R93 R100	R68-L95 HydrophobicContact CG-CD1 3.46Å; R68-L95 VanDerWaalsContact CG-CD1 3.46Å; L69-L95 HydrophobicContact CD2-CD1 4.46Å; I90-L95 HydrophobicContact CG2-CD2 3.67Å; L91-L95 HydrophobicContact CD2-CD1 4.04Å; R93-L95 PolarHBondContact O-N 2.91Å; L95-R100 HydrophobicContact CB-CB 4.38Å
96	T	70.1	Confident	62.6	Low	87 Å²	87	82.9 Å²	82.9	53%	0.534	41%	0.41	S	S	.	.			trans	-65.3	162.5	167.5	70.8	0	0	0	0	109.8	P94 K98 S99 R100	P94-T96 PolarHBondContact O-N 2.87Å; T96-K98 PolarHBondContact O-N 3.25Å; T96-K98 PolarHBondContact OG1-N 3.02Å; T96-S99 PolarHBondContact N-OG 2.93Å; T96-S99 VanDerWaalsContact N-OG 3.12Å; T96-S99 PolarHBondContact O-N 3.41Å; T96-S99 PolarHBondContact O-OG 2.79Å; T96-S99 PolarHBondContact OG1-N 3.14Å; T96-S99 VanDerWaalsContact OG1-N 3.13Å; T96-S99 PolarHBondContact OG1-OG 3.25Å; T96-R100 PolarHBondContact O-N 2.91Å
97	R	62.9	Low	62.1	Low	223 Å²	223	82.6 Å²	82.6	84%	0.842	41%	0.409	S	S	*	.	H	α-helix	trans	-58.1	-32.2	174.7	-66.2	-179	77.1	139.5	0.1	111.7	R101	R97-R101 WeakPolarHBondContact O-CB 3.41Å; R97-R101 WeakPolarHBondContact O-CG 3.2Å; R97-R101 PolarHBondContact O-N 3.36Å; R97-R101 VanDerWaalsContact O-N 3.15Å
98	K	63.5	Low	61.7	Low	178 Å²	178	77.3 Å²	77.3	77%	0.774	38%	0.377	S	S	*	.	H	α-helix	trans	-68.9	-49.8	175.3	-169.8	174	-178.4	177.2	0	112.1	T96 R101 A102	T96-K98 PolarHBondContact O-N 3.25Å; T96-K98 PolarHBondContact OG1-N 3.02Å; K98-R101 PolarHBondContact O-N 3.25Å; K98-A102 PolarHBondContact O-N 2.98Å
99	S	61.5	Low	61.6	Low	30 Å²	30	76 Å²	76	21%	0.21	37%	0.368	C	S	.	.	H	α-helix	trans	-71.4	-30.2	-179.5	58.6	0	0	0	0	113.3	T96 A102 S103	T96-S99 PolarHBondContact N-OG 2.93Å; T96-S99 VanDerWaalsContact N-OG 3.12Å; T96-S99 PolarHBondContact O-N 3.41Å; T96-S99 PolarHBondContact O-OG 2.79Å; T96-S99 PolarHBondContact OG1-N 3.14Å; T96-S99 VanDerWaalsContact OG1-N 3.13Å; T96-S99 PolarHBondContact OG1-OG 3.25Å; S99-A102 PolarHBondContact O-N 3.39Å; S99-S103 PolarHBondContact O-N 3.43Å; S99-S103 PolarHBondContact O-OG 3.02Å
100	R	64.7	Low	61.6	Low	85 Å²	85	73.5 Å²	73.5	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-41.4	171.1	-156.2	-177.3	-49.7	177.6	8.3	112	L69 S70 L95 T96 L104	L69-R100 HydrophobicContact CD2-CG 4.17Å; S70-R100 PolarHBondContact OG-NH1 3.4Å; L95-R100 HydrophobicContact CB-CB 4.38Å; T96-R100 PolarHBondContact O-N 2.91Å; R100-L104 HydrophobicContact CG-CD1 4.47Å; R100-L104 WeakPolarHBondContact O-CB 3.3Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.38Å; R100-L104 PolarHBondContact O-N 3.25Å
101	R	60.1	Low	62.1	Low	195 Å²	195	75.7 Å²	75.7	74%	0.736	37%	0.366	S	S	*	.	H	α-helix	trans	-62.7	-42.8	172.6	-78.7	-175.4	71.8	168	2.6	111.8	R97 K98 L104 S105	R97-R101 WeakPolarHBondContact O-CB 3.41Å; R97-R101 WeakPolarHBondContact O-CG 3.2Å; R97-R101 PolarHBondContact O-N 3.36Å; R97-R101 VanDerWaalsContact O-N 3.15Å; K98-R101 PolarHBondContact O-N 3.25Å; R101-L104 PolarHBondContact O-N 2.9Å; R101-S105 PolarHBondContact O-N 2.86Å; R101-S105 PolarHBondContact O-OG 2.71Å
102	A	56.3	Low	62.8	Low	34 Å²	34	79.4 Å²	79.4	28%	0.281	39%	0.385	S	S	.	.	H	α-helix	trans	-57.1	-56.7	175.6	0	0	0	0	0	111.2	K98 S99 L104 S105 E106	K98-A102 PolarHBondContact O-N 2.98Å; S99-A102 PolarHBondContact O-N 3.39Å; A102-L104 VanDerWaalsContact C-N 3.29Å; A102-L104 PolarHBondContact O-N 3.05Å; A102-S105 CarbonylContact O-C 3.3Å; A102-S105 PolarHBondContact O-N 2.82Å; A102-S105 PolarHBondContact O-OG 2.8Å; A102-E106 WeakPolarHBondContact O-CG 3.35Å; A102-E106 PolarHBondContact O-N 2.98Å
103	S	61.5	Low	63.7	Low	0 Å²	0	82.7 Å²	82.7	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-35.5	178.8	-60.2	0	0	0	0	113.6	S99 E106 I107	S99-S103 PolarHBondContact O-N 3.43Å; S99-S103 PolarHBondContact O-OG 3.02Å; S103-E106 WeakPolarHBondContact CA-OE2 3.26Å; S103-I107 VanDerWaalsContact O-CD1 3.26Å; S103-I107 WeakPolarHBondContact O-CD1 3.41Å; S103-I107 WeakPolarHBondContact O-CG1 3.41Å; S103-I107 PolarHBondContact O-N 2.77Å
104	L	59.1	Low	64.7	Low	23 Å²	23	74.6 Å²	74.6	12%	0.12	37%	0.37	C	S	.	.	H	α-helix	trans	-62.9	-47.1	171.9	-75.7	170.3	0	0	0	111.6	L69 L71 R100 R101 A102 E106 I107 G108 F109	L69-L104 HydrophobicContact CB-CD2 4.32Å; L71-L104 HydrophobicContact CD2-CD2 3.67Å; R100-L104 HydrophobicContact CG-CD1 4.47Å; R100-L104 WeakPolarHBondContact O-CB 3.3Å; R100-L104 VanDerWaalsContact O-CG 3.27Å; R100-L104 WeakPolarHBondContact O-CG 3.38Å; R100-L104 PolarHBondContact O-N 3.25Å; R101-L104 PolarHBondContact O-N 2.9Å; A102-L104 VanDerWaalsContact C-N 3.29Å; A102-L104 PolarHBondContact O-N 3.05Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.29Å; L104-I107 PolarHBondContact O-N 3.02Å; L104-G108 PolarHBondContact O-N 2.91Å; L104-F109 HydrophobicContact CB-CB 3.94Å; L104-F109 HydrophobicContact CD2-CB 4.09Å; L104-F109 HydrophobicContact CD2-CD2 4.16Å; L104-F109 HydrophobicContact CD2-CG 3.99Å; L104-F109 PolarHBondContact O-N 3.01Å
105	S	60	Low	66	Low	50 Å²	50	69.1 Å²	69.1	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-72	-21.7	178.4	64.2	0	0	0	0	115.1	R101 A102 K111	R101-S105 PolarHBondContact O-N 2.86Å; R101-S105 PolarHBondContact O-OG 2.71Å; A102-S105 CarbonylContact O-C 3.3Å; A102-S105 PolarHBondContact O-N 2.82Å; A102-S105 PolarHBondContact O-OG 2.8Å; S105-K111 WeakPolarHBondContact O-CE 3.42Å; S105-K111 PolarHBondContact O-NZ 2.95Å
106	E	58.1	Low	67.5	Low	115 Å²	115	72.2 Å²	72.2	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-73.2	-38.8	169.9	-73.9	162.5	-169	0	0	111	A102 S103 L104	A102-E106 WeakPolarHBondContact O-CG 3.35Å; A102-E106 PolarHBondContact O-N 2.98Å; S103-E106 WeakPolarHBondContact CA-OE2 3.26Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.29Å
107	I	58.1	Low	68.6	Low	21 Å²	21	71.7 Å²	71.7	11%	0.108	34%	0.337	C	S	.	.	H	α-helix	trans	-69.6	-36	170.4	-62.2	157.7	0	0	0	110.4	L69 V81 L85 S103 L104 F109 L136	L69-I107 HydrophobicContact CD1-CD1 3.46Å; L69-I107 VanDerWaalsContact CD1-CD1 3.46Å; V81-I107 HydrophobicContact CG1-CG1 4.39Å; V81-I107 HydrophobicContact CG1-CG2 4.1Å; L85-I107 HydrophobicContact CD1-CD1 3.68Å; L85-I107 HydrophobicContact CD1-CG1 4.09Å; L85-I107 HydrophobicContact CD2-CD1 3.89Å; L85-I107 HydrophobicContact CD2-CG1 4Å; L85-I107 HydrophobicContact CG-CD1 4.34Å; L85-I107 HydrophobicContact CG-CG1 4.39Å; S103-I107 VanDerWaalsContact O-CD1 3.26Å; S103-I107 WeakPolarHBondContact O-CD1 3.41Å; S103-I107 WeakPolarHBondContact O-CG1 3.41Å; S103-I107 PolarHBondContact O-N 2.77Å; L104-I107 PolarHBondContact O-N 3.02Å; I107-F109 HydrophobicContact CB-CD2 4.46Å; I107-F109 HydrophobicContact CG2-CD2 4.05Å; I107-F109 HydrophobicContact CG2-CE2 4.24Å; I107-L136 HydrophobicContact CG2-CD1 3.93Å; I107-L136 HydrophobicContact CG2-CD2 4.33Å; I107-L136 WeakPolarHBondContact O-CD2 3.28Å
108	G	58.6	Low	70.2	Confident	4 Å²	4	64.2 Å²	64.2	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	125.2	-6	178.5	0	0	0	0	0	115.3	L104 G110 K111 S114	L104-G108 PolarHBondContact O-N 2.91Å; G108-G110 PolarHBondContact O-N 3.2Å; G108-K111 WeakPolarHBondContact O-CB 3.49Å; G108-K111 PolarHBondContact O-N 3.2Å; G108-S114 VanDerWaalsContact CA-OG 3.28Å; G108-S114 WeakPolarHBondContact CA-OG 3.4Å; G108-S114 PolarHBondContact O-OG 3.22Å
109	F	61.1	Low	71.7	Confident	11 Å²	11	61 Å²	61	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.6	173.4	-82.4	-99.2	0	0	0	110.8	L71 L75 L104 I107 L136 D178	L71-F109 HydrophobicContact CD2-CD1 4.3Å; L71-F109 HydrophobicContact CD2-CD2 4.28Å; L71-F109 HydrophobicContact CD2-CE1 3.83Å; L71-F109 HydrophobicContact CD2-CE2 3.79Å; L71-F109 HydrophobicContact CD2-CZ 3.57Å; L75-F109 HydrophobicContact CD1-CZ 4.26Å; L75-F109 HydrophobicContact CD2-CE2 4.29Å; L75-F109 HydrophobicContact CD2-CZ 3.7Å; L104-F109 HydrophobicContact CB-CB 3.94Å; L104-F109 HydrophobicContact CD2-CB 4.09Å; L104-F109 HydrophobicContact CD2-CD2 4.16Å; L104-F109 HydrophobicContact CD2-CG 3.99Å; L104-F109 PolarHBondContact O-N 3.01Å; I107-F109 HydrophobicContact CB-CD2 4.46Å; I107-F109 HydrophobicContact CG2-CD2 4.05Å; I107-F109 HydrophobicContact CG2-CE2 4.24Å; F109-L136 HydrophobicContact CD2-CD1 4.18Å; F109-L136 HydrophobicContact CE2-CD1 4.07Å; F109-D178 WeakPolarHBondContact CA-OD2 3.21Å; F109-D178 HydrophobicContact CD1-CB 3.87Å; F109-D178 VanDerWaalsContact CD1-CG 3.44Å; F109-D178 HydrophobicContact CE1-CB 4.12Å
110	G	60.1	Low	73.2	Confident	34 Å²	34	65 Å²	65	35%	0.351	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	7.4	-173	0	0	0	0	0	115.2	G108 D178	G108-G110 PolarHBondContact O-N 3.2Å; G110-D178 PolarHBondContact N-OD2 2.9Å
111	K	70.5	Confident	74.3	Confident	89 Å²	89	64.7 Å²	64.7	39%	0.387	32%	0.319	S	S	.	.			trans	-114.2	132.9	175.8	-63	179.5	177	169.4	0	111.9	S105 G108 E113 S114	S105-K111 WeakPolarHBondContact O-CE 3.42Å; S105-K111 PolarHBondContact O-NZ 2.95Å; G108-K111 WeakPolarHBondContact O-CB 3.49Å; G108-K111 PolarHBondContact O-N 3.2Å; K111-E113 PolarHBondContact O-N 3.21Å; K111-S114 PolarHBondContact O-N 3.13Å
112	L	75.2	Confident	75.5	Confident	78 Å²	78	56.7 Å²	56.7	41%	0.408	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-61	-34.4	174.4	-170.2	63.8	0	0	0	112.3	S114 Y115 I180	L112-S114 PolarHBondContact O-N 3.33Å; L112-S114 VanDerWaalsContact O-N 3.14Å; L112-Y115 PolarHBondContact O-N 2.93Å; L112-I180 HydrophobicContact CB-CG2 4.29Å; L112-I180 HydrophobicContact CD1-CD1 4.42Å
113	E	83.1	Confident	76.7	Confident	145 Å²	145	60 Å²	60	68%	0.678	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.2	178.2	-59.1	173.8	148.1	0	0	113.5	K111 Y115 R135	K111-E113 PolarHBondContact O-N 3.21Å; E113-Y115 PolarHBondContact O-N 3.47Å; E113-R135 WeakPolarHBondContact O-CD 3.26Å; E113-R135 PolarHBondContact O-NE 3.19Å
114	S	86.3	Confident	77.2	Confident	15 Å²	15	62.1 Å²	62.1	11%	0.105	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-75	-3.3	-179.7	-63.8	0	0	0	0	113.9	G108 K111 L112 R135	G108-S114 VanDerWaalsContact CA-OG 3.28Å; G108-S114 WeakPolarHBondContact CA-OG 3.4Å; G108-S114 PolarHBondContact O-OG 3.22Å; K111-S114 PolarHBondContact O-N 3.13Å; L112-S114 PolarHBondContact O-N 3.33Å; L112-S114 VanDerWaalsContact O-N 3.14Å; S114-R135 WeakPolarHBondContact O-CB 3.17Å; S114-R135 PolarHBondContact O-N 3.15Å
115	Y	92.2	Very high	77.7	Confident	13 Å²	13	65.7 Å²	65.7	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.9	177.6	-59.9	-82.8	0	0	0	110.7	L112 E113 R133 V141 L143 I180 V189	L112-Y115 PolarHBondContact O-N 2.93Å; E113-Y115 PolarHBondContact O-N 3.47Å; Y115-R133 CarbonylContact C-O 3.41Å; Y115-R133 WeakPolarHBondContact CA-O 3.31Å; Y115-V141 HydrophobicContact CD1-CG2 3.95Å; Y115-V141 HydrophobicContact CE1-CG2 4.48Å; Y115-L143 HydrophobicContact CD1-CD2 4.42Å; Y115-L143 HydrophobicContact CG-CD2 4.32Å; Y115-I180 HydrophobicContact CD2-CD1 3.53Å; Y115-I180 HydrophobicContact CE2-CD1 3.79Å; Y115-I180 HydrophobicContact CE2-CG1 4.46Å; Y115-I180 HydrophobicContact CG-CD1 4.47Å; Y115-V189 HydrophobicContact CD1-CG1 4.1Å; Y115-V189 HydrophobicContact CD2-CG2 4.48Å; Y115-V189 HydrophobicContact CE1-CG1 3.6Å; Y115-V189 HydrophobicContact CE2-CG2 4.18Å
116	Q	93.9	Very high	78.1	Confident	86 Å²	86	65.8 Å²	65.8	40%	0.402	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.2	169.2	-179.8	172.9	-10.4	0	0	108.6	L118 G132 R133	Q116-L118 HydrophobicContact CG-CD2 3.94Å; Q116-G132 CarbonylContact O-C 3.57Å; Q116-G132 WeakPolarHBondContact O-CA 3.32Å; Q116-R133 PolarHBondContact N-O 3.13Å; Q116-R133 PolarHBondContact O-N 3.25Å
117	K	94.7	Very high	79.3	Confident	77 Å²	77	61 Å²	61	34%	0.335	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	135.8	168	-173.7	176.3	-77.1	-170.6	0	109	Y130 L143 E145	K117-Y130 HydrophobicContact CD-CD1 3.64Å; K117-Y130 HydrophobicContact CD-CD2 3.88Å; K117-Y130 HydrophobicContact CD-CE1 3.82Å; K117-Y130 HydrophobicContact CD-CE2 4.03Å; K117-Y130 HydrophobicContact CD-CG 3.66Å; K117-Y130 VanDerWaalsContact CE-CD2 3.47Å; K117-Y130 HydrophobicContact CG-CD1 3.83Å; K117-Y130 HydrophobicContact CG-CD2 4.4Å; K117-Y130 HydrophobicContact CG-CE1 4.48Å; K117-Y130 HydrophobicContact CG-CG 3.78Å; K117-L143 HydrophobicContact CB-CD1 4.33Å; K117-E145 VanDerWaalsContact NZ-CD 3.28Å; K117-E145 IonicContact NZ-OE1 3.82Å; K117-E145 PolarHBondContact NZ-OE1 2.84Å; K117-E145 IonicContact NZ-OE2 3.58Å; K117-E145 PolarHBondContact NZ-OE2 3.29Å
118	L	95.3	Very high	80.6	Confident	65 Å²	65	60 Å²	60	34%	0.34	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-135.2	179.6	-57.7	175.3	0	0	0	108.8	Q116 K131 R133 L140	Q116-L118 HydrophobicContact CG-CD2 3.94Å; L118-K131 WeakPolarHBondContact CA-O 3.07Å; L118-K131 HydrophobicContact CB-CB 4.32Å; L118-K131 WeakPolarHBondContact CB-O 3.46Å; L118-K131 HydrophobicContact CD1-CG 4.49Å; L118-K131 PolarHBondContact N-O 2.93Å; L118-R133 HydrophobicContact CD1-CB 4.3Å; L118-L140 HydrophobicContact CD1-CD2 4.12Å
119	E	94.8	Very high	82.2	Confident	110 Å²	110	61.7 Å²	61.7	51%	0.514	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	154.9	177.4	62.1	-165.2	160.5	0	0	113.8	Y130 K131	E119-Y130 CarbonylContact O-C 3.54Å; E119-Y130 WeakPolarHBondContact O-CA 3.35Å; E119-K131 HydrophobicContact CG-CB 3.75Å; E119-K131 HydrophobicContact CG-CD 3.73Å; E119-K131 HydrophobicContact CG-CG 4.45Å; E119-K131 PolarHBondContact O-N 3.12Å; E119-K131 WeakPolarHBondContact OE1-CD 3.29Å; E119-K131 WeakPolarHBondContact OE1-CE 3.35Å; E119-K131 IonicContact OE1-NZ 2.68Å; E119-K131 PolarHBondContact OE1-NZ 2.85Å
120	K	93.9	Very high	83.8	Confident	114 Å²	114	63.4 Å²	63.4	50%	0.496	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.3	173.9	178.1	-175.8	177.7	-175.6	0	108.7	E123 T128 Y130	K120-E123 WeakPolarHBondContact CE-OE2 3.46Å; K120-E123 IonicContact NZ-OE2 3.91Å; K120-E123 PolarHBondContact NZ-OE2 3.26Å; K120-T128 HydrophobicContact CD-CG2 4.26Å; K120-T128 HydrophobicContact CG-CG2 4.11Å; K120-Y130 HydrophobicContact CB-CD1 3.97Å; K120-Y130 HydrophobicContact CB-CE1 4.04Å; K120-Y130 HydrophobicContact CG-CD1 4.44Å; K120-Y130 HydrophobicContact CG-CE1 4.29Å
121	L	88	Confident	85.5	Confident	79 Å²	79	63.4 Å²	63.4	41%	0.414	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-30.8	178.9	-64.7	171.7	0	0	0	112	V129 K131 Y192	L121-V129 HydrophobicContact CB-CB 4.49Å; L121-V129 HydrophobicContact CB-CG1 4.21Å; L121-V129 HydrophobicContact CD1-CG1 4.28Å; L121-V129 PolarHBondContact N-O 3.45Å; L121-K131 HydrophobicContact CD1-CB 3.92Å; L121-K131 HydrophobicContact CD2-CB 4.17Å; L121-K131 HydrophobicContact CG-CB 3.97Å; L121-Y192 HydrophobicContact CD1-CD2 4.17Å; L121-Y192 HydrophobicContact CD1-CE2 3.85Å; L121-Y192 HydrophobicContact CD2-CE2 4.27Å
122	G	84	Confident	86.7	Confident	28 Å²	28	59.2 Å²	59.2	29%	0.289	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	170.8	178.7	0	0	0	0	0	113.7	T128 V129	G122-T128 WeakPolarHBondContact O-CG2 3.37Å; G122-V129 PolarHBondContact N-O 3.26Å; G122-V129 VanDerWaalsContact N-O 3.14Å; G122-V129 PolarHBondContact O-N 2.75Å
123	E	82.4	Confident	87.6	Confident	102 Å²	102	59.8 Å²	59.8	48%	0.477	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	131.4	172.7	-175.8	165.1	-150.2	0	0	109.8	K120 T128 R147	K120-E123 WeakPolarHBondContact CE-OE2 3.46Å; K120-E123 IonicContact NZ-OE2 3.91Å; K120-E123 PolarHBondContact NZ-OE2 3.26Å; E123-T128 HydrophobicContact CB-CG2 4.26Å; E123-T128 HydrophobicContact CG-CG2 4.42Å; E123-T128 PolarHBondContact OE1-OG1 2.93Å; E123-R147 IonicContact OE1-CZ 2.89Å; E123-R147 IonicContact OE1-NH1 2.81Å; E123-R147 IonicContact OE1-NH2 2.9Å; E123-R147 PolarHBondContact OE1-NH2 2.99Å
124	G	72.9	Confident	88.1	Confident	45 Å²	45	53 Å²	53	46%	0.464	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	174.7	167.2	0	0	0	0	0	110.1	Y126 A127	G124-Y126 PolarHBondContact O-N 2.83Å; G124-A127 PolarHBondContact N-O 3.23Å; G124-A127 PolarHBondContact O-N 3.27Å; G124-A127 VanDerWaalsContact O-N 3.13Å; G124-A127 VanDerWaalsContact O-O 3.12Å
125	T	67.9	Low	88.2	Confident	98 Å²	98	60 Å²	60	60%	0.601	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-39.3	-168.7	-41.4	0	0	0	0	115.3
126	Y	70.1	Confident	87.9	Confident	53 Å²	53	60.6 Å²	60.6	21%	0.208	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-7.5	-174.8	-52.8	-73.4	0	0	0	114.6	G124 R147 P264 K266 T267	G124-Y126 PolarHBondContact O-N 2.83Å; Y126-R147 PolarHBondContact O-N 3.38Å; Y126-P264 HydrophobicContact CE1-CB 4.25Å; Y126-P264 WeakPolarHBondContact CE1-O 3.1Å; Y126-P264 WeakPolarHBondContact CE2-O 3.21Å; Y126-P264 PolarHBondContact OH-O 3.46Å; Y126-P264 VanDerWaalsContact OH-O 3.08Å; Y126-K266 PolarHBondContact OH-N 3.02Å; Y126-T267 PolarHBondContact OH-N 3.31Å; Y126-T267 PolarHBondContact OH-OG1 2.93Å
127	A	81.3	Confident	87.6	Confident	14 Å²	14	58.2 Å²	58.2	12%	0.116	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138.1	-168.7	0	0	0	0	0	113.3	G124 K144 E145 I146	G124-A127 PolarHBondContact N-O 3.23Å; G124-A127 PolarHBondContact O-N 3.27Å; G124-A127 VanDerWaalsContact O-N 3.13Å; G124-A127 VanDerWaalsContact O-O 3.12Å; A127-K144 HydrophobicContact CB-CG 4.33Å; A127-E145 VanDerWaalsContact CA-O 3.28Å; A127-E145 WeakPolarHBondContact CA-O 3.47Å; A127-I146 HydrophobicContact CB-CG1 4.04Å
128	T	87.3	Confident	87.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.8	171.5	-45.1	0	0	0	0	109.3	K120 G122 E123 Y130 E145 R147	K120-T128 HydrophobicContact CD-CG2 4.26Å; K120-T128 HydrophobicContact CG-CG2 4.11Å; G122-T128 WeakPolarHBondContact O-CG2 3.37Å; E123-T128 HydrophobicContact CB-CG2 4.26Å; E123-T128 HydrophobicContact CG-CG2 4.42Å; E123-T128 PolarHBondContact OE1-OG1 2.93Å; T128-Y130 HydrophobicContact CG2-CD2 4.22Å; T128-Y130 HydrophobicContact CG2-CE1 4.14Å; T128-Y130 HydrophobicContact CG2-CE2 3.51Å; T128-Y130 VanDerWaalsContact CG2-CZ 3.47Å; T128-E145 PolarHBondContact N-O 2.87Å; T128-E145 PolarHBondContact O-N 2.68Å; T128-R147 PolarHBondContact OG1-NH2 3.13Å
129	V	90.9	Very high	87.2	Confident	39 Å²	39	58.7 Å²	58.7	24%	0.236	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.9	177.9	-172.7	0	0	0	0	108.8	L121 G122 L143 K144	L121-V129 HydrophobicContact CB-CB 4.49Å; L121-V129 HydrophobicContact CB-CG1 4.21Å; L121-V129 HydrophobicContact CD1-CG1 4.28Å; L121-V129 PolarHBondContact N-O 3.45Å; G122-V129 PolarHBondContact N-O 3.26Å; G122-V129 VanDerWaalsContact N-O 3.14Å; G122-V129 PolarHBondContact O-N 2.75Å; V129-L143 WeakPolarHBondContact CA-O 3.04Å; V129-K144 HydrophobicContact CG2-CB 4.37Å; V129-K144 HydrophobicContact CG2-CD 4.44Å; V129-K144 HydrophobicContact CG2-CG 4.09Å
130	Y	94.5	Very high	87.2	Confident	47 Å²	47	56.7 Å²	56.7	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.5	174.2	-58.2	-91.9	0	0	0	110.3	K117 E119 K120 T128 L143 E145	K117-Y130 HydrophobicContact CD-CD1 3.64Å; K117-Y130 HydrophobicContact CD-CD2 3.88Å; K117-Y130 HydrophobicContact CD-CE1 3.82Å; K117-Y130 HydrophobicContact CD-CE2 4.03Å; K117-Y130 HydrophobicContact CD-CG 3.66Å; K117-Y130 VanDerWaalsContact CE-CD2 3.47Å; K117-Y130 HydrophobicContact CG-CD1 3.83Å; K117-Y130 HydrophobicContact CG-CD2 4.4Å; K117-Y130 HydrophobicContact CG-CE1 4.48Å; K117-Y130 HydrophobicContact CG-CG 3.78Å; E119-Y130 CarbonylContact O-C 3.54Å; E119-Y130 WeakPolarHBondContact O-CA 3.35Å; K120-Y130 HydrophobicContact CB-CD1 3.97Å; K120-Y130 HydrophobicContact CB-CE1 4.04Å; K120-Y130 HydrophobicContact CG-CD1 4.44Å; K120-Y130 HydrophobicContact CG-CE1 4.29Å; T128-Y130 HydrophobicContact CG2-CD2 4.22Å; T128-Y130 HydrophobicContact CG2-CE1 4.14Å; T128-Y130 HydrophobicContact CG2-CE2 3.51Å; T128-Y130 VanDerWaalsContact CG2-CZ 3.47Å; Y130-L143 PolarHBondContact N-O 2.9Å; Y130-L143 PolarHBondContact O-N 3.12Å; Y130-E145 HydrophobicContact CE2-CB 4.42Å
131	K	95.5	Very high	87.2	Confident	34 Å²	34	51.3 Å²	51.3	15%	0.148	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	145.8	157.7	-160.4	173.4	-172.8	158.4	0	107.3	L118 E119 L121 Y192	L118-K131 WeakPolarHBondContact CA-O 3.07Å; L118-K131 HydrophobicContact CB-CB 4.32Å; L118-K131 WeakPolarHBondContact CB-O 3.46Å; L118-K131 HydrophobicContact CD1-CG 4.49Å; L118-K131 PolarHBondContact N-O 2.93Å; E119-K131 HydrophobicContact CG-CB 3.75Å; E119-K131 HydrophobicContact CG-CD 3.73Å; E119-K131 HydrophobicContact CG-CG 4.45Å; E119-K131 PolarHBondContact O-N 3.12Å; E119-K131 WeakPolarHBondContact OE1-CD 3.29Å; E119-K131 WeakPolarHBondContact OE1-CE 3.35Å; E119-K131 IonicContact OE1-NZ 2.68Å; E119-K131 PolarHBondContact OE1-NZ 2.85Å; L121-K131 HydrophobicContact CD1-CB 3.92Å; L121-K131 HydrophobicContact CD2-CB 4.17Å; L121-K131 HydrophobicContact CG-CB 3.97Å; K131-Y192 HydrophobicContact CD-CE2 4.06Å; K131-Y192 WeakPolarHBondContact CE-OH 3.41Å; K131-Y192 HydrophobicContact CG-CD2 4.1Å; K131-Y192 HydrophobicContact CG-CE2 3.93Å; K131-Y192 PolarHBondContact NZ-OH 2.72Å
132	G	95.9	Very high	87.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	176	175.5	0	0	0	0	0	111.4	Q116 L140 V141	Q116-G132 CarbonylContact O-C 3.57Å; Q116-G132 WeakPolarHBondContact O-CA 3.32Å; G132-L140 WeakPolarHBondContact O-CA 3.41Å; G132-V141 PolarHBondContact N-O 3.45Å; G132-V141 PolarHBondContact O-N 3.08Å
133	R	95.6	Very high	87.9	Confident	90 Å²	90	47 Å²	47	34%	0.34	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.5	171.2	-159.9	-172.7	-68.6	-157	-5.8	110.8	Y115 Q116 L118 R135 D138 A139 L140	Y115-R133 CarbonylContact C-O 3.41Å; Y115-R133 WeakPolarHBondContact CA-O 3.31Å; Q116-R133 PolarHBondContact N-O 3.13Å; Q116-R133 PolarHBondContact O-N 3.25Å; L118-R133 HydrophobicContact CD1-CB 4.3Å; R133-R135 PolarHBondContact O-N 2.98Å; R133-D138 VanDerWaalsContact CD-O 3.25Å; R133-D138 WeakPolarHBondContact CD-O 3.4Å; R133-D138 WeakPolarHBondContact CD-OD1 3.02Å; R133-D138 WeakPolarHBondContact CG-O 3.32Å; R133-D138 IonicContact CZ-OD1 3.78Å; R133-D138 IonicContact CZ-OD2 3.91Å; R133-D138 IonicContact NE-OD1 3.85Å; R133-D138 IonicContact NH1-OD1 3.7Å; R133-D138 PolarHBondContact NH1-OD1 3Å; R133-D138 IonicContact NH1-OD2 3.17Å; R133-D138 PolarHBondContact NH1-OD2 2.95Å; R133-A139 WeakPolarHBondContact CA-O 3.4Å; R133-A139 WeakPolarHBondContact CG-O 3.44Å; R133-L140 HydrophobicContact CG-CD2 4.45Å
134	S	92.7	Very high	88.2	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	113.3	169.4	168.7	0	0	0	0	109.7	L136 T137 D138 A139	S134-L136 PolarHBondContact O-N 2.84Å; S134-L136 VanDerWaalsContact O-N 3.14Å; S134-L136 PolarHBondContact OG-N 3.35Å; S134-T137 WeakPolarHBondContact CB-OG1 3.49Å; S134-T137 PolarHBondContact O-N 3.12Å; S134-T137 PolarHBondContact OG-N 3.37Å; S134-T137 VanDerWaalsContact OG-N 3.12Å; S134-T137 PolarHBondContact OG-OG1 2.7Å; S134-D138 VanDerWaalsContact O-CA 3.25Å; S134-D138 WeakPolarHBondContact O-CA 3.27Å; S134-D138 PolarHBondContact O-N 3.43Å; S134-A139 PolarHBondContact N-O 3.2Å
135	R	89.5	Confident	89	Confident	162 Å²	162	43 Å²	43	61%	0.611	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.7	171.7	-63.7	-168	-172.4	-88.3	4.4	112.7	E113 S114 R133	E113-R135 WeakPolarHBondContact O-CD 3.26Å; E113-R135 PolarHBondContact O-NE 3.19Å; S114-R135 WeakPolarHBondContact O-CB 3.17Å; S114-R135 PolarHBondContact O-N 3.15Å; R133-R135 PolarHBondContact O-N 2.98Å
136	L	84.7	Confident	89.7	Confident	26 Å²	26	39.9 Å²	39.9	14%	0.136	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-24.5	-178.4	-62.1	174	0	0	0	113	P78 I107 F109 S134	P78-L136 WeakPolarHBondContact CD-O 3.39Å; P78-L136 WeakPolarHBondContact CG-O 3.48Å; I107-L136 HydrophobicContact CG2-CD1 3.93Å; I107-L136 HydrophobicContact CG2-CD2 4.33Å; I107-L136 WeakPolarHBondContact O-CD2 3.28Å; F109-L136 HydrophobicContact CD2-CD1 4.18Å; F109-L136 HydrophobicContact CE2-CD1 4.07Å; S134-L136 PolarHBondContact O-N 2.84Å; S134-L136 VanDerWaalsContact O-N 3.14Å; S134-L136 PolarHBondContact OG-N 3.35Å
137	T	87.3	Confident	90	Very high	35 Å²	35	44 Å²	44	22%	0.215	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-0.8	-172.2	61.7	0	0	0	0	113.6	L75 R76 S134 A139	L75-T137 HydrophobicContact CD1-CG2 3.79Å; L75-T137 HydrophobicContact CG-CG2 4.06Å; R76-T137 WeakPolarHBondContact O-CG2 3.36Å; S134-T137 WeakPolarHBondContact CB-OG1 3.49Å; S134-T137 PolarHBondContact O-N 3.12Å; S134-T137 PolarHBondContact OG-N 3.37Å; S134-T137 VanDerWaalsContact OG-N 3.12Å; S134-T137 PolarHBondContact OG-OG1 2.7Å; T137-A139 PolarHBondContact O-N 3.15Å; T137-A139 WeakPolarHBondContact OG1-CB 3.42Å
138	D	89.5	Confident	89.6	Confident	107 Å²	107	44.7 Å²	44.7	57%	0.572	21%	0.213	S	C	*	.			trans	54.4	1.7	-168.8	-148.7	51.8	0	0	0	115.2	R133 S134	R133-D138 VanDerWaalsContact CD-O 3.25Å; R133-D138 WeakPolarHBondContact CD-O 3.4Å; R133-D138 WeakPolarHBondContact CD-OD1 3.02Å; R133-D138 WeakPolarHBondContact CG-O 3.32Å; R133-D138 IonicContact CZ-OD1 3.78Å; R133-D138 IonicContact CZ-OD2 3.91Å; R133-D138 IonicContact NE-OD1 3.85Å; R133-D138 IonicContact NH1-OD1 3.7Å; R133-D138 PolarHBondContact NH1-OD1 3Å; R133-D138 IonicContact NH1-OD2 3.17Å; R133-D138 PolarHBondContact NH1-OD2 2.95Å; S134-D138 VanDerWaalsContact O-CA 3.25Å; S134-D138 WeakPolarHBondContact O-CA 3.27Å; S134-D138 PolarHBondContact O-N 3.43Å
139	A	91.7	Very high	88.6	Confident	46 Å²	46	49.7 Å²	49.7	38%	0.38	24%	0.236	S	C	.	.			trans	-68.8	143.6	178.4	0	0	0	0	0	112.1	R133 S134 T137	R133-A139 WeakPolarHBondContact CA-O 3.4Å; R133-A139 WeakPolarHBondContact CG-O 3.44Å; S134-A139 PolarHBondContact N-O 3.2Å; T137-A139 PolarHBondContact O-N 3.15Å; T137-A139 WeakPolarHBondContact OG1-CB 3.42Å
140	L	95.1	Very high	86.9	Confident	67 Å²	67	56.2 Å²	56.2	35%	0.351	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.3	169.5	-63.6	177.7	0	0	0	110.6	L118 G132 R133 Y192	L118-L140 HydrophobicContact CD1-CD2 4.12Å; G132-L140 WeakPolarHBondContact O-CA 3.41Å; R133-L140 HydrophobicContact CG-CD2 4.45Å; L140-Y192 HydrophobicContact CB-CD1 3.76Å; L140-Y192 HydrophobicContact CB-CG 4Å; L140-Y192 HydrophobicContact CD1-CD1 3.73Å; L140-Y192 HydrophobicContact CD1-CE1 3.93Å; L140-Y192 HydrophobicContact CG-CD1 4.4Å
141	V	95.1	Very high	85.1	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.8	179.7	-66.9	0	0	0	0	110.4	Y115 G132 L143 V189 F190	Y115-V141 HydrophobicContact CD1-CG2 3.95Å; Y115-V141 HydrophobicContact CE1-CG2 4.48Å; G132-V141 PolarHBondContact N-O 3.45Å; G132-V141 PolarHBondContact O-N 3.08Å; V141-L143 HydrophobicContact CG2-CD2 3.87Å; V141-L143 HydrophobicContact CG2-CG 4.17Å; V141-V189 HydrophobicContact CB-CG1 3.92Å; V141-V189 HydrophobicContact CG1-CG1 3.99Å; V141-V189 HydrophobicContact CG2-CG1 4.16Å; V141-F190 CarbonylContact C-O 3.06Å; V141-F190 WeakPolarHBondContact CA-O 3.49Å; V141-F190 VanDerWaalsContact CB-O 3.31Å; V141-F190 WeakPolarHBondContact CB-O 3.38Å
142	A	94.1	Very high	83	Confident	15 Å²	15	66.1 Å²	66.1	12%	0.124	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.9	167.4	0	0	0	0	0	109.7	F190	A142-F190 HydrophobicContact CB-CB 4.3Å; A142-F190 PolarHBondContact N-O 2.78Å; A142-F190 PolarHBondContact O-N 3.23Å
143	L	93	Very high	80.7	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	96.2	-179.4	-58.7	176.7	0	0	0	108.9	Y115 K117 V129 Y130 V141 E145 T187 V189	Y115-L143 HydrophobicContact CD1-CD2 4.42Å; Y115-L143 HydrophobicContact CG-CD2 4.32Å; K117-L143 HydrophobicContact CB-CD1 4.33Å; V129-L143 WeakPolarHBondContact CA-O 3.04Å; Y130-L143 PolarHBondContact N-O 2.9Å; Y130-L143 PolarHBondContact O-N 3.12Å; V141-L143 HydrophobicContact CG2-CD2 3.87Å; V141-L143 HydrophobicContact CG2-CG 4.17Å; L143-E145 PolarHBondContact O-N 2.97Å; L143-T187 HydrophobicContact CB-CG2 4.11Å; L143-T187 HydrophobicContact CD2-CG2 4.42Å; L143-V189 HydrophobicContact CD2-CB 4.35Å; L143-V189 HydrophobicContact CD2-CG1 4.04Å; L143-V189 HydrophobicContact CD2-CG2 3.84Å
144	K	88.7	Confident	78.6	Confident	30 Å²	30	63.8 Å²	63.8	13%	0.13	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	96.9	176.3	-175.5	167.9	-166.2	177.7	0	109.5	A127 V129 T187 L188 F190 D254	A127-K144 HydrophobicContact CB-CG 4.33Å; V129-K144 HydrophobicContact CG2-CB 4.37Å; V129-K144 HydrophobicContact CG2-CD 4.44Å; V129-K144 HydrophobicContact CG2-CG 4.09Å; K144-T187 WeakPolarHBondContact O-CA 3.32Å; K144-L188 HydrophobicContact CB-CB 4.33Å; K144-L188 PolarHBondContact N-O 2.87Å; K144-L188 PolarHBondContact O-N 3.06Å; K144-F190 HydrophobicContact CB-CD2 4.39Å; K144-F190 HydrophobicContact CB-CE2 4.16Å; K144-F190 HydrophobicContact CD-CE2 4.3Å; K144-D254 IonicContact NZ-OD1 2.68Å; K144-D254 PolarHBondContact NZ-OD1 3.49Å; K144-D254 IonicContact NZ-OD2 3.99Å; K144-D254 PolarHBondContact NZ-OD2 3.4Å
145	E	88.6	Confident	76.7	Confident	32 Å²	32	64.6 Å²	64.6	15%	0.15	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	103.6	-176.1	-174.2	166.9	113.4	0	0	110.2	K117 A127 T128 Y130 L143 T185 T187	K117-E145 VanDerWaalsContact NZ-CD 3.28Å; K117-E145 IonicContact NZ-OE1 3.82Å; K117-E145 PolarHBondContact NZ-OE1 2.84Å; K117-E145 IonicContact NZ-OE2 3.58Å; K117-E145 PolarHBondContact NZ-OE2 3.29Å; A127-E145 VanDerWaalsContact CA-O 3.28Å; A127-E145 WeakPolarHBondContact CA-O 3.47Å; T128-E145 PolarHBondContact N-O 2.87Å; T128-E145 PolarHBondContact O-N 2.68Å; Y130-E145 HydrophobicContact CE2-CB 4.42Å; L143-E145 PolarHBondContact O-N 2.97Å; E145-T185 HydrophobicContact CG-CG2 3.85Å; E145-T187 HydrophobicContact CB-CG2 4.38Å
146	I	81.7	Confident	74.9	Confident	34 Å²	34	62.1 Å²	62.1	17%	0.174	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.5	176.8	-55.6	167.6	0	0	0	108.1	A127 T185 L186 L188	A127-I146 HydrophobicContact CB-CG1 4.04Å; I146-T185 VanDerWaalsContact O-CA 3.26Å; I146-T185 WeakPolarHBondContact O-CA 3.31Å; I146-L186 HydrophobicContact CB-CB 4.44Å; I146-L186 WeakPolarHBondContact CB-O 3.3Å; I146-L186 PolarHBondContact N-O 3.05Å; I146-L186 PolarHBondContact O-N 2.98Å; I146-L188 HydrophobicContact CD1-CD1 4.14Å; I146-L188 HydrophobicContact CD1-CG 4.28Å
147	R	77.8	Confident	73.2	Confident	138 Å²	138	64 Å²	64	52%	0.521	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	140.3	175.6	-60.6	-179.9	-170	150.8	13.4	109.6	E123 Y126 T128	E123-R147 IonicContact OE1-CZ 2.89Å; E123-R147 IonicContact OE1-NH1 2.81Å; E123-R147 IonicContact OE1-NH2 2.9Å; E123-R147 PolarHBondContact OE1-NH2 2.99Å; Y126-R147 PolarHBondContact O-N 3.38Å; T128-R147 PolarHBondContact OG1-NH2 3.13Å
148	L	71.5	Confident	71.6	Confident	29 Å²	29	62.8 Å²	62.8	15%	0.152	33%	0.333	C	S	.	.			trans	-108.5	134.5	179.6	-57.3	176.4	0	0	0	110.2	A154 Y181 K184 L186	L148-A154 HydrophobicContact CD1-CB 3.81Å; L148-A154 HydrophobicContact CD2-CB 4.2Å; L148-Y181 HydrophobicContact CD1-CD2 4.21Å; L148-Y181 HydrophobicContact CD1-CE2 3.64Å; L148-K184 PolarHBondContact N-O 3.28Å; L148-L186 HydrophobicContact CD1-CB 4.43Å; L148-L186 HydrophobicContact CD2-CB 4.18Å
149	E	66.4	Low	70.1	Confident	107 Å²	107	60.5 Å²	60.5	50%	0.5	32%	0.32	S	S	.	.			trans	-78.6	134.4	173	-69	178.1	-163.4	0	0	109.4	E151 E152 G153	E149-E151 PolarHBondContact O-N 2.75Å; E149-E151 VanDerWaalsContact O-N 3.09Å; E149-E152 PolarHBondContact O-N 2.72Å; E149-G153 PolarHBondContact O-N 2.97Å
150	Q	56.5	Low	68.3	Low	175 Å²	175	67.1 Å²	67.1	82%	0.818	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.2	-164.3	-66.5	-178.4	11.8	0	0	114.1
151	E	55.8	Low	66.5	Low	198 Å²	198	67.1 Å²	67.1	93%	0.925	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.8	-179	-58.9	-170	154	0	0	113.7	E149	E149-E151 PolarHBondContact O-N 2.75Å; E149-E151 VanDerWaalsContact O-N 3.09Å
152	E	51.2	Low	65.1	Low	92 Å²	92	67.3 Å²	67.3	43%	0.43	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-15.8	178.7	-64.7	-168.8	175.6	0	0	113.1	E149 K266	E149-E152 PolarHBondContact O-N 2.72Å; E152-K266 IonicContact OE1-NZ 3.73Å
153	G	49.2	Very low	63.6	Low	28 Å²	28	69 Å²	69	29%	0.289	35%	0.346	S	S	.	.			trans	63.7	-148.2	-174.3	0	0	0	0	0	112	E149 P155	E149-G153 PolarHBondContact O-N 2.97Å; G153-P155 WeakPolarHBondContact O-CD 3.42Å
154	A	51.3	Low	62.2	Low	12 Å²	12	73.7 Å²	73.7	10%	0.099	37%	0.37	C	S	.	.	S	Bend	trans	-88.2	115.3	155.1	0	0	0	0	0	108.8	L148 C156 I159 Y181	L148-A154 HydrophobicContact CD1-CB 3.81Å; L148-A154 HydrophobicContact CD2-CB 4.2Å; A154-C156 PolarHBondContact O-N 3.33Å; A154-I159 HydrophobicContact CB-CD1 3.78Å; A154-I159 HydrophobicContact CB-CG1 4.09Å; A154-Y181 HydrophobicContact CB-CD2 3.83Å; A154-Y181 HydrophobicContact CB-CE2 3.33Å
155	P	52.6	Low	61.3	Low	20 Å²	20	73.3 Å²	73.3	13%	0.13	37%	0.369	C	S	.	.			trans	-55.8	127.1	176.5	-22.8	31	0	0	0	109.9	G153 T157 A158 I159 S262	G153-P155 WeakPolarHBondContact O-CD 3.42Å; P155-T157 PolarHBondContact O-N 2.94Å; P155-A158 HydrophobicContact CB-CB 4.05Å; P155-A158 HydrophobicContact CG-CB 4.31Å; P155-A158 WeakPolarHBondContact O-CA 3.4Å; P155-A158 WeakPolarHBondContact O-CB 3.49Å; P155-A158 PolarHBondContact O-N 3.5Å; P155-I159 PolarHBondContact O-N 3.34Å; P155-I159 VanDerWaalsContact O-N 3.1Å; P155-S262 VanDerWaalsContact CG-O 3.27Å; P155-S262 WeakPolarHBondContact CG-O 3.23Å
156	C	50.9	Low	60.5	Low	111 Å²	111	75.3 Å²	75.3	75%	0.75	38%	0.375	S	S	*	.	H	α-helix	trans	-58.5	-26.5	-178.6	-61	0	0	0	0	112.2	A154 R160	A154-C156 PolarHBondContact O-N 3.33Å; C156-R160 VanDerWaalsContact O-CB 3.23Å; C156-R160 WeakPolarHBondContact O-CB 3.5Å; C156-R160 PolarHBondContact O-N 2.8Å
157	T	50	Low	60.4	Low	65 Å²	65	80.8 Å²	80.8	40%	0.399	40%	0.4	S	S	.	.	H	α-helix	trans	-66.5	-43.2	169.5	32.3	0	0	0	0	113.3	P155 R160 E161 S262	P155-T157 PolarHBondContact O-N 2.94Å; T157-R160 WeakPolarHBondContact O-CB 3.42Å; T157-R160 PolarHBondContact O-N 2.91Å; T157-R160 VanDerWaalsContact O-N 3.15Å; T157-E161 WeakPolarHBondContact O-CG 3.37Å; T157-E161 PolarHBondContact O-N 3.15Å; T157-S262 WeakPolarHBondContact CB-OG 3.28Å; T157-S262 WeakPolarHBondContact OG1-CB 3.39Å; T157-S262 PolarHBondContact OG1-OG 3.25Å
158	A	52.6	Low	60.6	Low	9 Å²	9	74.8 Å²	74.8	7%	0.074	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-44.1	174	0	0	0	0	0	111.6	P155 R160 E161 V162 V263	P155-A158 HydrophobicContact CB-CB 4.05Å; P155-A158 HydrophobicContact CG-CB 4.31Å; P155-A158 WeakPolarHBondContact O-CA 3.4Å; P155-A158 WeakPolarHBondContact O-CB 3.49Å; P155-A158 PolarHBondContact O-N 3.5Å; A158-R160 VanDerWaalsContact C-N 3.28Å; A158-R160 PolarHBondContact O-N 3.49Å; A158-E161 PolarHBondContact O-N 3.44Å; A158-V162 WeakPolarHBondContact O-CB 3.38Å; A158-V162 WeakPolarHBondContact O-CG2 3.36Å; A158-V162 PolarHBondContact O-N 3.02Å; A158-V263 HydrophobicContact CB-CG2 3.86Å
159	I	59.5	Low	61.4	Low	60 Å²	60	78.3 Å²	78.3	31%	0.308	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-39.2	172.2	-63.6	175.8	0	0	0	110.8	A154 P155 S163	A154-I159 HydrophobicContact CB-CD1 3.78Å; A154-I159 HydrophobicContact CB-CG1 4.09Å; P155-I159 PolarHBondContact O-N 3.34Å; P155-I159 VanDerWaalsContact O-N 3.1Å; I159-S163 WeakPolarHBondContact O-CB 3.43Å; I159-S163 PolarHBondContact O-N 3.02Å; I159-S163 PolarHBondContact O-OG 3.06Å
160	R	53.3	Low	62.7	Low	184 Å²	184	73.5 Å²	73.5	69%	0.694	37%	0.367	S	S	*	.	H	α-helix	trans	-67.2	-41	179.1	-177.6	178.6	-177.4	172.6	0.1	112.4	C156 T157 A158 S163 L164	C156-R160 VanDerWaalsContact O-CB 3.23Å; C156-R160 WeakPolarHBondContact O-CB 3.5Å; C156-R160 PolarHBondContact O-N 2.8Å; T157-R160 WeakPolarHBondContact O-CB 3.42Å; T157-R160 PolarHBondContact O-N 2.91Å; T157-R160 VanDerWaalsContact O-N 3.15Å; A158-R160 VanDerWaalsContact C-N 3.28Å; A158-R160 PolarHBondContact O-N 3.49Å; R160-S163 WeakPolarHBondContact O-CB 3.38Å; R160-S163 PolarHBondContact O-N 3.2Å; R160-L164 PolarHBondContact O-N 3.04Å
161	E	57.9	Low	64.6	Low	68 Å²	68	66.1 Å²	66.1	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-73.5	-40.2	178.8	-71.2	-178.2	-125.5	0	0	111.5	T157 A158 S163 L164 L165 A260	T157-E161 WeakPolarHBondContact O-CG 3.37Å; T157-E161 PolarHBondContact O-N 3.15Å; A158-E161 PolarHBondContact O-N 3.44Å; E161-S163 PolarHBondContact O-N 2.81Å; E161-L164 WeakPolarHBondContact O-CB 3.42Å; E161-L164 PolarHBondContact O-N 3.38Å; E161-L165 PolarHBondContact O-N 3.25Å; E161-A260 WeakPolarHBondContact OE1-CA 3.45Å; E161-A260 VanDerWaalsContact OE1-CB 3.26Å; E161-A260 WeakPolarHBondContact OE1-CB 3.38Å; E161-A260 WeakPolarHBondContact OE2-CA 3.42Å; E161-A260 VanDerWaalsContact OE2-CB 3.26Å; E161-A260 WeakPolarHBondContact OE2-CB 3.31Å
162	V	65	Low	66.5	Low	5 Å²	5	57 Å²	57	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-35.5	168.3	171.4	0	0	0	0	111.6	A158 L164 L165 R166 L176 I179 L188 L257	A158-V162 WeakPolarHBondContact O-CB 3.38Å; A158-V162 WeakPolarHBondContact O-CG2 3.36Å; A158-V162 PolarHBondContact O-N 3.02Å; V162-L164 VanDerWaalsContact C-N 3.26Å; V162-L164 PolarHBondContact O-N 2.93Å; V162-L165 WeakPolarHBondContact O-CB 3.18Å; V162-L165 PolarHBondContact O-N 2.87Å; V162-R166 PolarHBondContact O-N 3.32Å; V162-L176 HydrophobicContact CG1-CD2 3.78Å; V162-I179 HydrophobicContact CG1-CD1 3.65Å; V162-I179 HydrophobicContact CG1-CG1 4Å; V162-L188 HydrophobicContact CG1-CD1 4.17Å; V162-L188 HydrophobicContact CG1-CD2 3.5Å; V162-L188 VanDerWaalsContact CG1-CD2 3.5Å; V162-L188 HydrophobicContact CG1-CG 4.47Å; V162-L188 HydrophobicContact CG2-CD1 4.04Å; V162-L188 HydrophobicContact CG2-CD2 4.22Å; V162-L257 HydrophobicContact CG2-CD2 3.91Å
163	S	61.9	Low	68.6	Low	52 Å²	52	52.7 Å²	52.7	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-27.6	175.1	-61.3	0	0	0	0	113.2	I159 R160 E161 R166	I159-S163 WeakPolarHBondContact O-CB 3.43Å; I159-S163 PolarHBondContact O-N 3.02Å; I159-S163 PolarHBondContact O-OG 3.06Å; R160-S163 WeakPolarHBondContact O-CB 3.38Å; R160-S163 PolarHBondContact O-N 3.2Å; E161-S163 PolarHBondContact O-N 2.81Å; S163-R166 WeakPolarHBondContact O-CB 3.02Å; S163-R166 PolarHBondContact O-N 3.25Å
164	L	64.8	Low	70.6	Confident	99 Å²	99	52.1 Å²	52.1	52%	0.518	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-38.6	173.1	-61.7	173.2	0	0	0	111.3	R160 E161 V162 R166 E167	R160-L164 PolarHBondContact O-N 3.04Å; E161-L164 WeakPolarHBondContact O-CB 3.42Å; E161-L164 PolarHBondContact O-N 3.38Å; V162-L164 VanDerWaalsContact C-N 3.26Å; V162-L164 PolarHBondContact O-N 2.93Å; L164-R166 PolarHBondContact O-N 2.98Å; L164-E167 PolarHBondContact O-N 3.04Å
165	L	68.5	Low	72.4	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-29.7	174	-62	-173.1	0	0	0	112.2	E161 V162 E167 L168 L176 F255 L257	E161-L165 PolarHBondContact O-N 3.25Å; V162-L165 WeakPolarHBondContact O-CB 3.18Å; V162-L165 PolarHBondContact O-N 2.87Å; L165-E167 PolarHBondContact O-N 3.28Å; L165-L168 HydrophobicContact CD2-CD1 3.69Å; L165-L168 WeakPolarHBondContact O-CB 3.42Å; L165-L168 PolarHBondContact O-N 3.49Å; L165-L168 VanDerWaalsContact O-N 3.09Å; L165-L176 HydrophobicContact CB-CD2 4.21Å; L165-F255 HydrophobicContact CD2-CB 4.13Å; L165-F255 HydrophobicContact CD2-CD2 4.28Å; L165-F255 HydrophobicContact CD2-CG 4.16Å; L165-L257 HydrophobicContact CD1-CD1 3.77Å; L165-L257 HydrophobicContact CD1-CD2 3.76Å; L165-L257 HydrophobicContact CD1-CG 3.91Å; L165-L257 HydrophobicContact CG-CD2 4.39Å
166	R	73.1	Confident	74.1	Confident	74 Å²	74	52 Å²	52	28%	0.279	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.1	176.7	-152.2	-175.3	-173.9	-163.6	6.5	114.1	V162 S163 L164 L176 H177	V162-R166 PolarHBondContact O-N 3.32Å; S163-R166 WeakPolarHBondContact O-CB 3.02Å; S163-R166 PolarHBondContact O-N 3.25Å; L164-R166 PolarHBondContact O-N 2.98Å; R166-L176 HydrophobicContact CB-CD2 4.19Å; R166-H177 PolarHBondContact NH2-O 3.15Å
167	E	77.7	Confident	75.8	Confident	150 Å²	150	47.4 Å²	47.4	70%	0.701	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.2	172.8	-59.8	-171.4	167.8	0	0	112	L164 L165 R169	L164-E167 PolarHBondContact O-N 3.04Å; L165-E167 PolarHBondContact O-N 3.28Å; E167-R169 PolarHBondContact O-N 3.07Å
168	L	83.6	Confident	77.4	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.058	21%	0.213	C	C	.	.			trans	-74.9	116.1	169.3	-52.5	179.7	0	0	0	109.5	L165 V173 Y226 V232 F255	L165-L168 HydrophobicContact CD2-CD1 3.69Å; L165-L168 WeakPolarHBondContact O-CB 3.42Å; L165-L168 PolarHBondContact O-N 3.49Å; L165-L168 VanDerWaalsContact O-N 3.09Å; L168-V173 HydrophobicContact CB-CG1 4.17Å; L168-Y226 HydrophobicContact CB-CE1 4.13Å; L168-Y226 HydrophobicContact CD2-CE1 3.82Å; L168-V232 HydrophobicContact CD1-CG1 4.29Å; L168-V232 HydrophobicContact CD2-CG2 4.18Å; L168-F255 HydrophobicContact CD1-CZ 4.41Å
169	R	88.1	Confident	78.8	Confident	103 Å²	103	46.1 Å²	46.1	39%	0.389	22%	0.219	S	C	.	.			trans	-137.9	94.3	177.8	-64	-174.2	-179.5	-143.3	-2.2	107.8	S70 L71 E167 Y226	S70-R169 PolarHBondContact O-NH2 2.92Å; L71-R169 PolarHBondContact O-NH1 2.92Å; E167-R169 PolarHBondContact O-N 3.07Å; R169-Y226 PolarHBondContact N-OH 2.91Å; R169-Y226 WeakPolarHBondContact O-CE2 3.27Å; R169-Y226 PolarHBondContact O-OH 3.08Å
170	H	93.9	Very high	79.9	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.032	21%	0.205	C	C	.	.			trans	-145.4	143.2	-179.4	-177.1	-99.7	0	0	0	109.5	N172 V173 Y226 D408	H170-N172 PolarHBondContact CE1-OD1 3.1Å; H170-N172 PolarHBondContact ND1-N 3.04Å; H170-N172 VanDerWaalsContact ND1-N 3.11Å; H170-N172 PolarHBondContact O-N 2.85Å; H170-V173 HydrophobicContact CB-CB 3.99Å; H170-V173 HydrophobicContact CB-CG2 3.83Å; H170-V173 PolarHBondContact O-N 2.96Å; H170-V173 VanDerWaalsContact O-O 3.08Å; H170-Y226 HydrophobicContact CB-CD1 3.73Å; H170-Y226 HydrophobicContact CB-CD2 3.55Å; H170-Y226 HydrophobicContact CB-CE1 3.89Å; H170-Y226 HydrophobicContact CB-CE2 3.65Å; H170-Y226 HydrophobicContact CB-CG 3.59Å; H170-Y226 AromaticContact CD2-CD2 3.29Å; H170-Y226 WeakPolarHBondContact CD2-CD2 3.24Å; H170-Y226 AromaticContact CD2-CG 3.65Å; H170-Y226 AromaticContact CG-CD2 3.6Å; H170-Y226 AromaticContact CG-CG 3.62Å; H170-D408 CarbonylContact C-O 3.52Å; H170-D408 WeakPolarHBondContact CA-O 3.48Å; H170-D408 PolarHBondContact CD2-O 3.13Å; H170-D408 IonicContact CD2-OD1 3.46Å
171	A	95.5	Very high	81.1	Confident	20 Å²	20	40 Å²	40	17%	0.165	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.7	-175.9	0	0	0	0	0	112.7	V173 K251 D408 K410	A171-V173 VanDerWaalsContact C-N 3.33Å; A171-V173 PolarHBondContact O-N 3.18Å; A171-K251 VanDerWaalsContact O-CD 3.25Å; A171-K251 WeakPolarHBondContact O-CD 3.42Å; A171-K251 WeakPolarHBondContact O-CE 3.16Å; A171-K251 WeakPolarHBondContact O-CG 3.34Å; A171-D408 PolarHBondContact N-O 3.35Å; A171-K410 WeakPolarHBondContact CB-O 3.45Å
172	N	96.9	Very high	82	Confident	5 Å²	5	39 Å²	39	3%	0.027	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	26.8	177.7	-50.1	107.9	0	0	0	113.9	H170 Q219 R222 L250 L252	H170-N172 PolarHBondContact CE1-OD1 3.1Å; H170-N172 PolarHBondContact ND1-N 3.04Å; H170-N172 VanDerWaalsContact ND1-N 3.11Å; H170-N172 PolarHBondContact O-N 2.85Å; N172-Q219 WeakPolarHBondContact CB-O 3.41Å; N172-Q219 WeakPolarHBondContact ND2-CB 3.35Å; N172-Q219 VanDerWaalsContact ND2-CG 3.34Å; N172-Q219 WeakPolarHBondContact ND2-CG 3.46Å; N172-Q219 PolarHBondContact ND2-OE1 3.28Å; N172-R222 PolarHBondContact OD1-NH1 3.1Å; N172-L250 WeakPolarHBondContact CA-O 3.47Å; N172-L250 WeakPolarHBondContact CB-O 3.32Å; N172-L250 PolarHBondContact ND2-O 3.47Å; N172-L252 WeakPolarHBondContact O-CG 3.35Å; N172-L252 PolarHBondContact O-N 3.41Å
173	V	93.9	Very high	82.4	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-133.6	132.1	175.4	172.8	0	0	0	0	108.4	L168 H170 A171 T175 Y226 L252 F255	L168-V173 HydrophobicContact CB-CG1 4.17Å; H170-V173 HydrophobicContact CB-CB 3.99Å; H170-V173 HydrophobicContact CB-CG2 3.83Å; H170-V173 PolarHBondContact O-N 2.96Å; H170-V173 VanDerWaalsContact O-O 3.08Å; A171-V173 VanDerWaalsContact C-N 3.33Å; A171-V173 PolarHBondContact O-N 3.18Å; V173-T175 PolarHBondContact O-N 2.97Å; V173-Y226 HydrophobicContact CG2-CD1 4.46Å; V173-L252 HydrophobicContact CG2-CD1 4.49Å; V173-F255 HydrophobicContact CG1-CE2 3.75Å; V173-F255 HydrophobicContact CG1-CZ 3.84Å; V173-F255 HydrophobicContact CG2-CZ 4.25Å
174	V	92.4	Very high	83.2	Confident	17 Å²	17	50 Å²	50	10%	0.103	24%	0.239	C	C	.	.			trans	-66.5	121.1	-177.4	173.5	0	0	0	0	111.1	L176 F190 E191 L193 L243 K251 L252 A253	V174-L176 PolarHBondContact O-N 3.39Å; V174-F190 HydrophobicContact CG1-CB 3.82Å; V174-F190 HydrophobicContact CG1-CD1 3.82Å; V174-F190 HydrophobicContact CG1-CG 4.1Å; V174-E191 HydrophobicContact CG1-CG 3.83Å; V174-L193 HydrophobicContact CG2-CD1 4.07Å; V174-L243 HydrophobicContact CG2-CD1 4.24Å; V174-K251 HydrophobicContact CG2-CB 3.58Å; V174-L252 WeakPolarHBondContact CG2-O 3.47Å; V174-L252 PolarHBondContact N-O 3.5Å; V174-A253 HydrophobicContact CB-CB 4.41Å; V174-A253 HydrophobicContact CG2-CB 3.78Å
175	T	89.6	Confident	84	Confident	21 Å²	21	46.3 Å²	46.3	13%	0.129	22%	0.221	C	C	.	.			trans	-73	118.8	-174.5	-53.1	0	0	0	0	111.9	P72 V173 H177 F190 E191	P72-T175 HydrophobicContact CB-CG2 4.28Å; P72-T175 HydrophobicContact CG-CG2 4.49Å; V173-T175 PolarHBondContact O-N 2.97Å; T175-H177 PolarHBondContact O-N 2.69Å; T175-F190 VanDerWaalsContact O-CA 3.32Å; T175-F190 WeakPolarHBondContact O-CA 3.35Å; T175-E191 WeakPolarHBondContact CB-OE1 3.23Å; T175-E191 PolarHBondContact N-OE1 2.96Å; T175-E191 PolarHBondContact O-N 2.9Å; T175-E191 VanDerWaalsContact O-N 3.08Å; T175-E191 PolarHBondContact OG1-OE1 3.36Å
176	L	87.6	Confident	84.6	Confident	9 Å²	9	45.5 Å²	45.5	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	98.8	167.4	-179.2	61.7	0	0	0	110	V162 L165 R166 V174 D178 I179 L188 F190	V162-L176 HydrophobicContact CG1-CD2 3.78Å; L165-L176 HydrophobicContact CB-CD2 4.21Å; R166-L176 HydrophobicContact CB-CD2 4.19Å; V174-L176 PolarHBondContact O-N 3.39Å; L176-D178 WeakPolarHBondContact CD1-O 3.46Å; L176-I179 HydrophobicContact CD1-CG1 4.42Å; L176-I179 HydrophobicContact CD2-CD1 4.16Å; L176-I179 HydrophobicContact CD2-CG1 4.06Å; L176-I179 HydrophobicContact CG-CG1 4.4Å; L176-L188 HydrophobicContact CD1-CB 3.97Å; L176-F190 HydrophobicContact CB-CD1 3.99Å; L176-F190 HydrophobicContact CB-CE1 3.86Å; L176-F190 HydrophobicContact CD1-CD1 3.99Å; L176-F190 HydrophobicContact CD1-CE1 3.8Å; L176-F190 HydrophobicContact CD1-CE2 4.43Å; L176-F190 HydrophobicContact CD1-CG 4.41Å; L176-F190 HydrophobicContact CD1-CZ 4.04Å; L176-F190 HydrophobicContact CG-CE1 4.32Å
177	H	85.5	Confident	85.3	Confident	14 Å²	14	42 Å²	42	7%	0.065	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-50.6	179.9	-58.3	-41.7	0	0	0	112.1	P72 D74 R166 T175 V189 E191	P72-H177 HydrophobicContact CG-CB 4.13Å; D74-H177 IonicContact OD2-CE1 3.68Å; D74-H177 PolarHBondContact OD2-CE1 2.9Å; D74-H177 IonicContact OD2-ND1 3.2Å; R166-H177 PolarHBondContact NH2-O 3.15Å; T175-H177 PolarHBondContact O-N 2.69Å; H177-V189 WeakPolarHBondContact CB-O 3.45Å; H177-V189 PolarHBondContact N-O 3.41Å; H177-E191 WeakPolarHBondContact NE2-CA 3.47Å; H177-E191 PolarHBondContact NE2-N 2.95Å
178	D	83.9	Confident	85.7	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.053	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163.4	-171.8	-160	23.3	0	0	0	113.7	F109 G110 L176 V189	F109-D178 WeakPolarHBondContact CA-OD2 3.21Å; F109-D178 HydrophobicContact CD1-CB 3.87Å; F109-D178 VanDerWaalsContact CD1-CG 3.44Å; F109-D178 HydrophobicContact CE1-CB 4.12Å; G110-D178 PolarHBondContact N-OD2 2.9Å; L176-D178 WeakPolarHBondContact CD1-O 3.46Å; D178-V189 HydrophobicContact CB-CB 4.02Å; D178-V189 HydrophobicContact CB-CG2 4.16Å; D178-V189 PolarHBondContact N-O 2.92Å; D178-V189 PolarHBondContact O-N 2.67Å
179	I	81.6	Confident	86	Confident	37 Å²	37	34.4 Å²	34.4	19%	0.19	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	117	179	-55.1	164.6	0	0	0	107.9	V162 L176 L186 L188	V162-I179 HydrophobicContact CG1-CD1 3.65Å; V162-I179 HydrophobicContact CG1-CG1 4Å; L176-I179 HydrophobicContact CD1-CG1 4.42Å; L176-I179 HydrophobicContact CD2-CD1 4.16Å; L176-I179 HydrophobicContact CD2-CG1 4.06Å; L176-I179 HydrophobicContact CG-CG1 4.4Å; I179-L186 HydrophobicContact CG2-CD1 3.62Å; I179-L188 HydrophobicContact CG1-CD2 4.49Å; I179-L188 HydrophobicContact CG2-CD2 4.1Å
180	I	83.7	Confident	86.1	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130	179.7	-52.8	165.6	0	0	0	107.6	L112 Y115 T187 V189	L112-I180 HydrophobicContact CB-CG2 4.29Å; L112-I180 HydrophobicContact CD1-CD1 4.42Å; Y115-I180 HydrophobicContact CD2-CD1 3.53Å; Y115-I180 HydrophobicContact CE2-CD1 3.79Å; Y115-I180 HydrophobicContact CE2-CG1 4.46Å; Y115-I180 HydrophobicContact CG-CD1 4.47Å; I180-T187 PolarHBondContact N-O 2.79Å; I180-T187 PolarHBondContact O-N 3.28Å; I180-V189 HydrophobicContact CD1-CG2 3.68Å; I180-V189 HydrophobicContact CG1-CG2 4.09Å
181	Y	78.1	Confident	86	Confident	112 Å²	112	31.4 Å²	31.4	44%	0.439	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.3	178.5	173.2	-102.1	0	0	0	110.2	L148 A154 L186	L148-Y181 HydrophobicContact CD1-CD2 4.21Å; L148-Y181 HydrophobicContact CD1-CE2 3.64Å; A154-Y181 HydrophobicContact CB-CD2 3.83Å; A154-Y181 HydrophobicContact CB-CE2 3.33Å; Y181-L186 HydrophobicContact CD2-CD1 4.44Å
182	T	77.8	Confident	86	Confident	48 Å²	48	32.8 Å²	32.8	29%	0.294	16%	0.159	S	C	.	.			trans	-130.5	166.3	169.3	79.4	0	0	0	0	108.9	K184 T185	T182-K184 PolarHBondContact O-N 3.34Å; T182-K184 PolarHBondContact OG1-N 2.69Å; T182-T185 PolarHBondContact N-O 3.41Å; T182-T185 PolarHBondContact O-N 3.37Å; T182-T185 PolarHBondContact OG1-N 2.61Å; T182-T185 PolarHBondContact OG1-O 3.34Å; T182-T185 PolarHBondContact OG1-OG1 3.17Å
183	D	73.3	Confident	85.8	Confident	140 Å²	140	33 Å²	33	75%	0.749	16%	0.16	S	C	*	.	S	Bend	trans	-62.9	-6.8	-179.9	-46.1	-48.1	0	0	0	114.2
184	K	77.6	Confident	85.7	Confident	148 Å²	148	35.9 Å²	35.9	64%	0.643	18%	0.175	S	C	*	.	S	Bend	trans	-125.2	-17.9	-179.1	-60.4	-176.7	-178.5	-179	0	114.3	L148 T182	L148-K184 PolarHBondContact N-O 3.28Å; T182-K184 PolarHBondContact O-N 3.34Å; T182-K184 PolarHBondContact OG1-N 2.69Å
185	T	81.1	Confident	85.8	Confident	22 Å²	22	36.2 Å²	36.2	14%	0.135	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	145.6	-173.1	60.1	0	0	0	0	113.5	E145 I146 T182	E145-T185 HydrophobicContact CG-CG2 3.85Å; I146-T185 VanDerWaalsContact O-CA 3.26Å; I146-T185 WeakPolarHBondContact O-CA 3.31Å; T182-T185 PolarHBondContact N-O 3.41Å; T182-T185 PolarHBondContact O-N 3.37Å; T182-T185 PolarHBondContact OG1-N 2.61Å; T182-T185 PolarHBondContact OG1-O 3.34Å; T182-T185 PolarHBondContact OG1-OG1 3.17Å
186	L	82.1	Confident	86	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.3	164.8	179	66.5	0	0	0	108	I146 L148 I179 Y181 L188	I146-L186 HydrophobicContact CB-CB 4.44Å; I146-L186 WeakPolarHBondContact CB-O 3.3Å; I146-L186 PolarHBondContact N-O 3.05Å; I146-L186 PolarHBondContact O-N 2.98Å; L148-L186 HydrophobicContact CD1-CB 4.43Å; L148-L186 HydrophobicContact CD2-CB 4.18Å; I179-L186 HydrophobicContact CG2-CD1 3.62Å; Y181-L186 HydrophobicContact CD2-CD1 4.44Å; L186-L188 HydrophobicContact CD1-CD2 4.43Å; L186-L188 HydrophobicContact CD2-CD2 4.35Å; L186-L188 HydrophobicContact CG-CD2 4.02Å
187	T	86.5	Confident	86.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.3	179.8	-54.4	0	0	0	0	110.3	L143 K144 E145 I180	L143-T187 HydrophobicContact CB-CG2 4.11Å; L143-T187 HydrophobicContact CD2-CG2 4.42Å; K144-T187 WeakPolarHBondContact O-CA 3.32Å; E145-T187 HydrophobicContact CB-CG2 4.38Å; I180-T187 PolarHBondContact N-O 2.79Å; I180-T187 PolarHBondContact O-N 3.28Å
188	L	86.4	Confident	86.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.7	175	-49.2	-171.3	0	0	0	109	K144 I146 V162 L176 I179 L186 F190 L257	K144-L188 HydrophobicContact CB-CB 4.33Å; K144-L188 PolarHBondContact N-O 2.87Å; K144-L188 PolarHBondContact O-N 3.06Å; I146-L188 HydrophobicContact CD1-CD1 4.14Å; I146-L188 HydrophobicContact CD1-CG 4.28Å; V162-L188 HydrophobicContact CG1-CD1 4.17Å; V162-L188 HydrophobicContact CG1-CD2 3.5Å; V162-L188 VanDerWaalsContact CG1-CD2 3.5Å; V162-L188 HydrophobicContact CG1-CG 4.47Å; V162-L188 HydrophobicContact CG2-CD1 4.04Å; V162-L188 HydrophobicContact CG2-CD2 4.22Å; L176-L188 HydrophobicContact CD1-CB 3.97Å; I179-L188 HydrophobicContact CG1-CD2 4.49Å; I179-L188 HydrophobicContact CG2-CD2 4.1Å; L186-L188 HydrophobicContact CD1-CD2 4.43Å; L186-L188 HydrophobicContact CD2-CD2 4.35Å; L186-L188 HydrophobicContact CG-CD2 4.02Å; L188-F190 HydrophobicContact CB-CD2 4.13Å; L188-F190 HydrophobicContact CB-CE2 3.51Å; L188-F190 HydrophobicContact CB-CZ 4.05Å; L188-F190 HydrophobicContact CD1-CE2 4.03Å; L188-F190 HydrophobicContact CD1-CZ 3.99Å; L188-F190 HydrophobicContact CG-CE2 4.42Å; L188-L257 HydrophobicContact CD1-CD1 4.13Å
189	V	90.1	Very high	87.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	101.4	-178.7	-173.6	0	0	0	0	109	Y115 V141 L143 H177 D178 I180	Y115-V189 HydrophobicContact CD1-CG1 4.1Å; Y115-V189 HydrophobicContact CD2-CG2 4.48Å; Y115-V189 HydrophobicContact CE1-CG1 3.6Å; Y115-V189 HydrophobicContact CE2-CG2 4.18Å; V141-V189 HydrophobicContact CB-CG1 3.92Å; V141-V189 HydrophobicContact CG1-CG1 3.99Å; V141-V189 HydrophobicContact CG2-CG1 4.16Å; L143-V189 HydrophobicContact CD2-CB 4.35Å; L143-V189 HydrophobicContact CD2-CG1 4.04Å; L143-V189 HydrophobicContact CD2-CG2 3.84Å; H177-V189 WeakPolarHBondContact CB-O 3.45Å; H177-V189 PolarHBondContact N-O 3.41Å; D178-V189 HydrophobicContact CB-CB 4.02Å; D178-V189 HydrophobicContact CB-CG2 4.16Å; D178-V189 PolarHBondContact N-O 2.92Å; D178-V189 PolarHBondContact O-N 2.67Å; I180-V189 HydrophobicContact CD1-CG2 3.68Å; I180-V189 HydrophobicContact CG1-CG2 4.09Å
190	F	91.2	Very high	88	Confident	22 Å²	22	42.2 Å²	42.2	10%	0.096	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	164.2	175.7	-62.8	-81.3	0	0	0	111.5	V141 A142 K144 V174 T175 L176 L188	V141-F190 CarbonylContact C-O 3.06Å; V141-F190 WeakPolarHBondContact CA-O 3.49Å; V141-F190 VanDerWaalsContact CB-O 3.31Å; V141-F190 WeakPolarHBondContact CB-O 3.38Å; A142-F190 HydrophobicContact CB-CB 4.3Å; A142-F190 PolarHBondContact N-O 2.78Å; A142-F190 PolarHBondContact O-N 3.23Å; K144-F190 HydrophobicContact CB-CD2 4.39Å; K144-F190 HydrophobicContact CB-CE2 4.16Å; K144-F190 HydrophobicContact CD-CE2 4.3Å; V174-F190 HydrophobicContact CG1-CB 3.82Å; V174-F190 HydrophobicContact CG1-CD1 3.82Å; V174-F190 HydrophobicContact CG1-CG 4.1Å; T175-F190 VanDerWaalsContact O-CA 3.32Å; T175-F190 WeakPolarHBondContact O-CA 3.35Å; L176-F190 HydrophobicContact CB-CD1 3.99Å; L176-F190 HydrophobicContact CB-CE1 3.86Å; L176-F190 HydrophobicContact CD1-CD1 3.99Å; L176-F190 HydrophobicContact CD1-CE1 3.8Å; L176-F190 HydrophobicContact CD1-CE2 4.43Å; L176-F190 HydrophobicContact CD1-CG 4.41Å; L176-F190 HydrophobicContact CD1-CZ 4.04Å; L176-F190 HydrophobicContact CG-CE1 4.32Å; L188-F190 HydrophobicContact CB-CD2 4.13Å; L188-F190 HydrophobicContact CB-CE2 3.51Å; L188-F190 HydrophobicContact CB-CZ 4.05Å; L188-F190 HydrophobicContact CD1-CE2 4.03Å; L188-F190 HydrophobicContact CD1-CZ 3.99Å; L188-F190 HydrophobicContact CG-CE2 4.42Å
191	E	92.1	Very high	88.6	Confident	26 Å²	26	42.1 Å²	42.1	12%	0.121	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	151.6	160.7	58.5	178.4	120.5	0	0	111.3	V174 T175 H177 L193 K251	V174-E191 HydrophobicContact CG1-CG 3.83Å; T175-E191 WeakPolarHBondContact CB-OE1 3.23Å; T175-E191 PolarHBondContact N-OE1 2.96Å; T175-E191 PolarHBondContact O-N 2.9Å; T175-E191 VanDerWaalsContact O-N 3.08Å; T175-E191 PolarHBondContact OG1-OE1 3.36Å; H177-E191 WeakPolarHBondContact NE2-CA 3.47Å; H177-E191 PolarHBondContact NE2-N 2.95Å; E191-L193 HydrophobicContact CG-CD1 3.91Å; E191-K251 VanDerWaalsContact CD-NZ 3.31Å; E191-K251 IonicContact OE1-NZ 2.68Å; E191-K251 PolarHBondContact OE1-NZ 3.06Å; E191-K251 VanDerWaalsContact OE1-NZ 3.17Å; E191-K251 WeakPolarHBondContact OE2-CE 3.49Å; E191-K251 IonicContact OE2-NZ 2.72Å; E191-K251 PolarHBondContact OE2-NZ 3.43Å
192	Y	94.1	Very high	89.4	Confident	48 Å²	48	40.5 Å²	40.5	19%	0.188	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-96.8	137.3	173.4	177.8	-106.6	0	0	0	110.5	L121 K131 L140	L121-Y192 HydrophobicContact CD1-CD2 4.17Å; L121-Y192 HydrophobicContact CD1-CE2 3.85Å; L121-Y192 HydrophobicContact CD2-CE2 4.27Å; K131-Y192 HydrophobicContact CD-CE2 4.06Å; K131-Y192 WeakPolarHBondContact CE-OH 3.41Å; K131-Y192 HydrophobicContact CG-CD2 4.1Å; K131-Y192 HydrophobicContact CG-CE2 3.93Å; K131-Y192 PolarHBondContact NZ-OH 2.72Å; L140-Y192 HydrophobicContact CB-CD1 3.76Å; L140-Y192 HydrophobicContact CB-CG 4Å; L140-Y192 HydrophobicContact CD1-CD1 3.73Å; L140-Y192 HydrophobicContact CD1-CE1 3.93Å; L140-Y192 HydrophobicContact CG-CD1 4.4Å
193	L	94.3	Very high	90.2	Very high	10 Å²	10	42.4 Å²	42.4	5%	0.052	22%	0.221	C	C	.	.			trans	-123.8	152.2	170.3	-69.6	92.2	0	0	0	108.6	V174 E191 S195 L243 N245 K251	V174-L193 HydrophobicContact CG2-CD1 4.07Å; E191-L193 HydrophobicContact CG-CD1 3.91Å; L193-S195 PolarHBondContact O-N 3.08Å; L193-L243 HydrophobicContact CB-CB 3.9Å; L193-L243 HydrophobicContact CD1-CB 4.2Å; L193-L243 HydrophobicContact CD1-CD1 4.27Å; L193-L243 HydrophobicContact CD2-CB 3.91Å; L193-L243 HydrophobicContact CG-CB 4.22Å; L193-N245 HydrophobicContact CB-CB 4.46Å; L193-N245 HydrophobicContact CD2-CB 4.18Å; L193-N245 HydrophobicContact CG-CB 4.33Å; L193-K251 HydrophobicContact CD1-CD 4.4Å; L193-K251 HydrophobicContact CD2-CB 4.2Å; L193-K251 HydrophobicContact CD2-CD 4.02Å; L193-K251 HydrophobicContact CD2-CG 3.89Å
194	D	91.9	Very high	91.1	Very high	62 Å²	62	37.4 Å²	37.4	33%	0.332	20%	0.197	S	C	.	.	S	Bend	trans	-71	-32.8	-167.1	-56.5	-85.5	0	0	0	113.9	I244 N245 Q246	D194-I244 PolarHBondContact N-O 3.13Å; D194-N245 WeakPolarHBondContact OD2-CA 3.4Å; D194-N245 WeakPolarHBondContact OD2-CB 3.21Å; D194-Q246 HydrophobicContact CB-CG 4.42Å; D194-Q246 PolarHBondContact OD1-NE2 3.29Å; D194-Q246 PolarHBondContact OD2-N 3.43Å
195	S	93.1	Very high	91.9	Very high	25 Å²	25	33.3 Å²	33.3	18%	0.175	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	168.2	-171.8	61.4	0	0	0	0	112.5	L193 L243 I244	L193-S195 PolarHBondContact O-N 3.08Å; S195-L243 WeakPolarHBondContact O-CA 3.27Å; S195-I244 PolarHBondContact N-O 2.92Å; S195-I244 PolarHBondContact O-N 2.93Å; S195-I244 PolarHBondContact OG-O 3.24Å
196	D	94.7	Very high	92.4	Very high	20 Å²	20	34.4 Å²	34.4	11%	0.107	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	164.3	160.8	73.7	57.8	0	0	0	111.3	K198 Q199 Y200 L242 L243	D196-K198 PolarHBondContact O-N 3.4Å; D196-K198 VanDerWaalsContact OD1-CA 3.31Å; D196-K198 WeakPolarHBondContact OD1-CA 3.43Å; D196-K198 VanDerWaalsContact OD1-CB 3.3Å; D196-K198 WeakPolarHBondContact OD1-CB 3.15Å; D196-K198 PolarHBondContact OD1-N 2.82Å; D196-Q199 WeakPolarHBondContact O-CB 3.23Å; D196-Q199 PolarHBondContact O-N 3.1Å; D196-Q199 VanDerWaalsContact O-N 3.15Å; D196-Q199 PolarHBondContact OD1-N 2.92Å; D196-Q199 PolarHBondContact OD2-NE2 2.93Å; D196-Y200 PolarHBondContact O-N 3.26Å; D196-L242 CarbonylContact C-O 3.58Å; D196-L242 WeakPolarHBondContact CA-O 3.47Å; D196-L243 HydrophobicContact CB-CD2 3.72Å
197	L	96.3	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-28.9	-177.4	175.7	66.2	0	0	0	112.6	M201 F216 P239 L242 I244 I301 M305	L197-M201 HydrophobicContact CD1-CG 4.19Å; L197-M201 HydrophobicContact CG-CE 4.18Å; L197-M201 HydrophobicContact CG-CG 4.45Å; L197-M201 HydrophobicContact CG-SD 4.37Å; L197-M201 WeakPolarHBondContact O-CB 3.08Å; L197-M201 VanDerWaalsContact O-CG 3.23Å; L197-M201 WeakPolarHBondContact O-CG 3.49Å; L197-M201 PolarHBondContact O-N 2.69Å; L197-F216 HydrophobicContact CD1-CD2 4.39Å; L197-P239 HydrophobicContact CB-CB 4.04Å; L197-P239 WeakPolarHBondContact CB-O 3.34Å; L197-P239 HydrophobicContact CD2-CB 4.15Å; L197-P239 HydrophobicContact CG-CB 4.13Å; L197-P239 PolarHBondContact N-O 3.33Å; L197-L242 HydrophobicContact CB-CB 3.98Å; L197-L242 HydrophobicContact CD2-CB 4.41Å; L197-L242 HydrophobicContact CD2-CD1 3.72Å; L197-L242 PolarHBondContact N-O 2.94Å; L197-I244 HydrophobicContact CB-CD1 3.99Å; L197-I244 HydrophobicContact CD1-CD1 3.7Å; L197-I244 HydrophobicContact CG-CD1 4.45Å; L197-I301 HydrophobicContact CD2-CG2 3.71Å; L197-M305 HydrophobicContact CD1-CG 4.11Å; L197-M305 HydrophobicContact CD1-SD 3.99Å; L197-M305 HydrophobicContact CD2-CG 3.88Å; L197-M305 HydrophobicContact CD2-SD 3.81Å; L197-M305 HydrophobicContact CG-CG 4.44Å
198	K	94	Very high	93.5	Very high	47 Å²	47	39.3 Å²	39.3	20%	0.204	23%	0.227	C	C	.	.	H	α-helix	trans	-70.5	-45.4	174.9	-175.8	53.6	-175.6	136.2	0	110.9	D196 Y200 M201 D202 N206 P239 Q240	D196-K198 PolarHBondContact O-N 3.4Å; D196-K198 VanDerWaalsContact OD1-CA 3.31Å; D196-K198 WeakPolarHBondContact OD1-CA 3.43Å; D196-K198 VanDerWaalsContact OD1-CB 3.3Å; D196-K198 WeakPolarHBondContact OD1-CB 3.15Å; D196-K198 PolarHBondContact OD1-N 2.82Å; K198-Y200 VanDerWaalsContact C-N 3.28Å; K198-Y200 PolarHBondContact O-N 2.82Å; K198-M201 HydrophobicContact CB-CE 4.49Å; K198-M201 HydrophobicContact CD-CE 3.88Å; K198-M201 PolarHBondContact O-N 2.98Å; K198-D202 WeakPolarHBondContact CE-OD2 3.48Å; K198-D202 IonicContact NZ-OD1 3Å; K198-D202 PolarHBondContact NZ-OD1 3.06Å; K198-D202 IonicContact NZ-OD2 3.56Å; K198-D202 PolarHBondContact NZ-OD2 2.94Å; K198-D202 PolarHBondContact O-N 3.29Å; K198-N206 PolarHBondContact NZ-OD1 3.28Å; K198-P239 HydrophobicContact CB-CB 3.99Å; K198-Q240 HydrophobicContact CB-CG 4.46Å
199	Q	94.1	Very high	93.9	Very high	108 Å²	108	40.8 Å²	40.8	51%	0.505	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-41.3	174.1	-63.1	173.6	30.3	0	0	111.6	D196 D202 A203	D196-Q199 WeakPolarHBondContact O-CB 3.23Å; D196-Q199 PolarHBondContact O-N 3.1Å; D196-Q199 VanDerWaalsContact O-N 3.15Å; D196-Q199 PolarHBondContact OD1-N 2.92Å; D196-Q199 PolarHBondContact OD2-NE2 2.93Å; Q199-D202 PolarHBondContact O-N 2.91Å; Q199-A203 WeakPolarHBondContact O-CB 3.33Å; Q199-A203 PolarHBondContact O-N 3.41Å
200	Y	96	Very high	94.2	Very high	41 Å²	41	43 Å²	43	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-45.9	175.1	-170.1	-83	0	0	0	111.8	V13 D196 K198 D202 A203 C204 L208 F216 I244	V13-Y200 WeakPolarHBondContact CG1-OH 3.44Å; D196-Y200 PolarHBondContact O-N 3.26Å; K198-Y200 VanDerWaalsContact C-N 3.28Å; K198-Y200 PolarHBondContact O-N 2.82Å; Y200-D202 PolarHBondContact O-N 2.82Å; Y200-A203 PolarHBondContact O-N 2.76Å; Y200-C204 PolarHBondContact O-N 2.67Å; Y200-L208 HydrophobicContact CD1-CD1 4.35Å; Y200-L208 HydrophobicContact CD1-CD2 4.18Å; Y200-L208 HydrophobicContact CD1-CG 4.36Å; Y200-L208 HydrophobicContact CE1-CD1 4.44Å; Y200-L208 HydrophobicContact CE1-CD2 4.11Å; Y200-L208 HydrophobicContact CE1-CG 4.09Å; Y200-F216 HydrophobicContact CD1-CE2 4.05Å; Y200-F216 HydrophobicContact CD1-CZ 4.33Å; Y200-F216 AromaticContact CE1-CE2 3.64Å; Y200-F216 HydrophobicContact CE1-CE2 3.64Å; Y200-F216 AromaticContact CE1-CZ 3.88Å; Y200-F216 HydrophobicContact CE1-CZ 3.88Å; Y200-F216 HydrophobicContact CE2-CZ 4.36Å; Y200-F216 AromaticContact CZ-CZ 3.9Å; Y200-I244 HydrophobicContact CD1-CD1 4.49Å; Y200-I244 HydrophobicContact CD2-CD1 4.36Å; Y200-I244 HydrophobicContact CD2-CG2 4.09Å; Y200-I244 HydrophobicContact CE2-CG2 4.39Å; Y200-I244 HydrophobicContact CG-CD1 4.03Å
201	M	95.6	Very high	94.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-44.4	175	-72.3	-176.1	-56.7	0	0	112.2	L197 K198 C204 G205 N206 L208 P239 E304 M305	L197-M201 HydrophobicContact CD1-CG 4.19Å; L197-M201 HydrophobicContact CG-CE 4.18Å; L197-M201 HydrophobicContact CG-CG 4.45Å; L197-M201 HydrophobicContact CG-SD 4.37Å; L197-M201 WeakPolarHBondContact O-CB 3.08Å; L197-M201 VanDerWaalsContact O-CG 3.23Å; L197-M201 WeakPolarHBondContact O-CG 3.49Å; L197-M201 PolarHBondContact O-N 2.69Å; K198-M201 HydrophobicContact CB-CE 4.49Å; K198-M201 HydrophobicContact CD-CE 3.88Å; K198-M201 PolarHBondContact O-N 2.98Å; M201-C204 CarbonylContact O-C 3.58Å; M201-C204 PolarHBondContact O-N 3.2Å; M201-G205 PolarHBondContact O-N 3.4Å; M201-N206 WeakPolarHBondContact O-CA 3.07Å; M201-N206 PolarHBondContact O-N 2.88Å; M201-L208 HydrophobicContact CB-CD1 4.24Å; M201-L208 HydrophobicContact CG-CD1 3.77Å; M201-L208 HydrophobicContact CG-CD2 4.35Å; M201-P239 HydrophobicContact CE-CB 3.88Å; M201-P239 HydrophobicContact CE-CG 3.94Å; M201-E304 HydrophobicContact CE-CG 3.86Å; M201-E304 HydrophobicContact SD-CG 4.11Å; M201-M305 HydrophobicContact SD-CB 4.5Å; M201-M305 HydrophobicContact SD-CG 4.09Å
202	D	94.5	Very high	94.7	Very high	78 Å²	78	43.8 Å²	43.8	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-37.6	177.4	-72.8	-43.3	0	0	0	112.8	K198 Q199 Y200 C204 G205 N206	K198-D202 WeakPolarHBondContact CE-OD2 3.48Å; K198-D202 IonicContact NZ-OD1 3Å; K198-D202 PolarHBondContact NZ-OD1 3.06Å; K198-D202 IonicContact NZ-OD2 3.56Å; K198-D202 PolarHBondContact NZ-OD2 2.94Å; K198-D202 PolarHBondContact O-N 3.29Å; Q199-D202 PolarHBondContact O-N 2.91Å; Y200-D202 PolarHBondContact O-N 2.82Å; D202-C204 VanDerWaalsContact C-N 3.35Å; D202-C204 PolarHBondContact O-N 3.25Å; D202-G205 PolarHBondContact O-N 2.97Å; D202-G205 VanDerWaalsContact O-N 3.15Å; D202-N206 PolarHBondContact OD1-ND2 2.83Å; D202-N206 PolarHBondContact OD1-OD1 3.17Å
203	A	94.4	Very high	94.9	Very high	88 Å²	88	41.5 Å²	41.5	73%	0.727	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-36.7	174.4	0	0	0	0	0	112.7	Q199 Y200 G205	Q199-A203 WeakPolarHBondContact O-CB 3.33Å; Q199-A203 PolarHBondContact O-N 3.41Å; Y200-A203 PolarHBondContact O-N 2.76Å; A203-G205 PolarHBondContact O-N 3.46Å
204	C	93.3	Very high	95	Very high	35 Å²	35	41.8 Å²	41.8	24%	0.236	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	20.2	173.1	-67	0	0	0	0	113.6	Y200 M201 D202 N206 L207 L208	Y200-C204 PolarHBondContact O-N 2.67Å; M201-C204 CarbonylContact O-C 3.58Å; M201-C204 PolarHBondContact O-N 3.2Å; D202-C204 VanDerWaalsContact C-N 3.35Å; D202-C204 PolarHBondContact O-N 3.25Å; C204-N206 PolarHBondContact O-N 3.26Å; C204-N206 VanDerWaalsContact O-N 3.09Å; C204-L207 PolarHBondContact O-N 3.43Å; C204-L208 HydrophobicContact CB-CD1 3.76Å
205	G	93.9	Very high	95.3	Very high	62 Å²	62	39.2 Å²	39.2	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	21.7	-180	0	0	0	0	0	114.2	M201 D202 A203 L207	M201-G205 PolarHBondContact O-N 3.4Å; D202-G205 PolarHBondContact O-N 2.97Å; D202-G205 VanDerWaalsContact O-N 3.15Å; A203-G205 PolarHBondContact O-N 3.46Å; G205-L207 VanDerWaalsContact C-N 3.27Å; G205-L207 PolarHBondContact O-N 3.3Å
206	N	92.6	Very high	95.6	Very high	44 Å²	44	38 Å²	38	24%	0.235	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	25.7	-170.4	-67.6	-84	0	0	0	114.8	K198 M201 D202 C204 G308	K198-N206 PolarHBondContact NZ-OD1 3.28Å; M201-N206 WeakPolarHBondContact O-CA 3.07Å; M201-N206 PolarHBondContact O-N 2.88Å; D202-N206 PolarHBondContact OD1-ND2 2.83Å; D202-N206 PolarHBondContact OD1-OD1 3.17Å; C204-N206 PolarHBondContact O-N 3.26Å; C204-N206 VanDerWaalsContact O-N 3.09Å; N206-G308 WeakPolarHBondContact O-CA 3.31Å; N206-G308 PolarHBondContact OD1-O 2.9Å
207	L	95.1	Very high	95.7	Very high	107 Å²	107	37.1 Å²	37.1	56%	0.56	22%	0.22	S	C	*	.			trans	-129.5	81.4	177	-173.6	69.1	0	0	0	112	C204 G205	C204-L207 PolarHBondContact O-N 3.43Å; G205-L207 VanDerWaalsContact C-N 3.27Å; G205-L207 PolarHBondContact O-N 3.3Å
208	L	95.4	Very high	95.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.222	C	C	.	.			trans	-75.6	144.8	174.1	-83.3	61.2	0	0	0	111.8	Y200 M201 C204 I213 F216 R364	Y200-L208 HydrophobicContact CD1-CD1 4.35Å; Y200-L208 HydrophobicContact CD1-CD2 4.18Å; Y200-L208 HydrophobicContact CD1-CG 4.36Å; Y200-L208 HydrophobicContact CE1-CD1 4.44Å; Y200-L208 HydrophobicContact CE1-CD2 4.11Å; Y200-L208 HydrophobicContact CE1-CG 4.09Å; M201-L208 HydrophobicContact CB-CD1 4.24Å; M201-L208 HydrophobicContact CG-CD1 3.77Å; M201-L208 HydrophobicContact CG-CD2 4.35Å; C204-L208 HydrophobicContact CB-CD1 3.76Å; L208-I213 HydrophobicContact CB-CD1 3.97Å; L208-I213 HydrophobicContact CB-CG1 3.74Å; L208-I213 HydrophobicContact CD2-CG1 4.34Å; L208-I213 WeakPolarHBondContact O-CD1 3.32Å; L208-F216 HydrophobicContact CD2-CD2 3.94Å; L208-F216 HydrophobicContact CD2-CE2 3.87Å; L208-R364 VanDerWaalsContact O-CZ 3.31Å; L208-R364 PolarHBondContact O-NH1 3.41Å; L208-R364 PolarHBondContact O-NH2 2.98Å
209	S	96	Very high	96	Very high	32 Å²	32	36.5 Å²	36.5	22%	0.224	22%	0.217	C	C	.	.			trans	-62.4	145.7	168.4	68	0	0	0	0	112.3	E16 N211 N212 I213	E16-S209 VanDerWaalsContact CD-CB 3.46Å; E16-S209 VanDerWaalsContact CD-N 3.26Å; E16-S209 VanDerWaalsContact CD-OG 3.3Å; E16-S209 VanDerWaalsContact OE1-CB 3.23Å; E16-S209 WeakPolarHBondContact OE1-CB 3.47Å; E16-S209 PolarHBondContact OE1-N 2.88Å; E16-S209 PolarHBondContact OE1-OG 3.48Å; E16-S209 WeakPolarHBondContact OE2-CB 3.34Å; E16-S209 PolarHBondContact OE2-N 2.94Å; S209-N211 PolarHBondContact O-N 3.09Å; S209-N212 PolarHBondContact O-N 2.84Å; S209-N212 VanDerWaalsContact O-N 3.17Å; S209-N212 WeakPolarHBondContact OG-CB 3.31Å; S209-N212 VanDerWaalsContact OG-CG 3.31Å; S209-N212 PolarHBondContact OG-N 2.87Å; S209-N212 PolarHBondContact OG-ND2 2.86Å; S209-I213 VanDerWaalsContact O-CG1 3.28Å; S209-I213 WeakPolarHBondContact O-CG1 3.19Å; S209-I213 PolarHBondContact O-N 2.68Å
210	M	96.8	Very high	96.3	Very high	46 Å²	46	31.4 Å²	31.4	23%	0.227	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-25.4	-179.1	-64.8	-54.7	-61.6	0	0	113.2	I213 K214 V306 R364 L365	M210-I213 HydrophobicContact CE-CD1 4.45Å; M210-I213 HydrophobicContact SD-CD1 3.61Å; M210-K214 WeakPolarHBondContact O-CG 3.23Å; M210-K214 PolarHBondContact O-N 3.48Å; M210-V306 HydrophobicContact CE-CG2 4.4Å; M210-R364 WeakPolarHBondContact CE-O 3.25Å; M210-R364 HydrophobicContact SD-CB 4.05Å; M210-L365 HydrophobicContact CE-CD2 3.84Å
211	N	96.3	Very high	96.4	Very high	64 Å²	64	29.5 Å²	29.5	34%	0.342	19%	0.186	S	C	.	.	H	α-helix	trans	-67.2	-49.5	173.5	-177.4	71.1	0	0	0	111.5	S209 I213 K214 I215	S209-N211 PolarHBondContact O-N 3.09Å; N211-I213 VanDerWaalsContact C-N 3.31Å; N211-I213 PolarHBondContact O-N 3.2Å; N211-K214 PolarHBondContact O-N 2.96Å; N211-K214 VanDerWaalsContact O-N 3.16Å; N211-I215 WeakPolarHBondContact ND2-CD1 3.36Å; N211-I215 WeakPolarHBondContact O-CG1 3.49Å; N211-I215 PolarHBondContact O-N 3.48Å
212	N	96.5	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-35.2	179.1	-67	-17.9	0	0	0	111.2	V14 E16 S209 I215 F216	V14-N212 PolarHBondContact N-OD1 2.89Å; V14-N212 PolarHBondContact O-ND2 3.32Å; E16-N212 PolarHBondContact OE1-ND2 2.68Å; S209-N212 PolarHBondContact O-N 2.84Å; S209-N212 VanDerWaalsContact O-N 3.17Å; S209-N212 WeakPolarHBondContact OG-CB 3.31Å; S209-N212 VanDerWaalsContact OG-CG 3.31Å; S209-N212 PolarHBondContact OG-N 2.87Å; S209-N212 PolarHBondContact OG-ND2 2.86Å; N212-I215 PolarHBondContact O-N 2.72Å; N212-F216 HydrophobicContact CB-CE2 4.18Å; N212-F216 WeakPolarHBondContact O-CB 3.06Å; N212-F216 WeakPolarHBondContact O-CD2 3.07Å; N212-F216 VanDerWaalsContact O-CG 3.3Å; N212-F216 WeakPolarHBondContact O-CG 3.15Å; N212-F216 PolarHBondContact O-N 3.47Å
213	I	97.8	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.1	-46.5	170.3	-64.8	164.5	0	0	0	111.5	L208 S209 M210 N211 F216 A217 L302 M305 V306	L208-I213 HydrophobicContact CB-CD1 3.97Å; L208-I213 HydrophobicContact CB-CG1 3.74Å; L208-I213 HydrophobicContact CD2-CG1 4.34Å; L208-I213 WeakPolarHBondContact O-CD1 3.32Å; S209-I213 VanDerWaalsContact O-CG1 3.28Å; S209-I213 WeakPolarHBondContact O-CG1 3.19Å; S209-I213 PolarHBondContact O-N 2.68Å; M210-I213 HydrophobicContact CE-CD1 4.45Å; M210-I213 HydrophobicContact SD-CD1 3.61Å; N211-I213 VanDerWaalsContact C-N 3.31Å; N211-I213 PolarHBondContact O-N 3.2Å; I213-F216 PolarHBondContact O-N 2.78Å; I213-A217 VanDerWaalsContact O-CB 3.25Å; I213-A217 WeakPolarHBondContact O-CB 3.46Å; I213-A217 PolarHBondContact O-N 3.19Å; I213-L302 HydrophobicContact CG2-CD1 3.98Å; I213-M305 WeakPolarHBondContact CD1-O 3.37Å; I213-M305 HydrophobicContact CG1-CB 4.21Å; I213-M305 HydrophobicContact CG2-CB 4.34Å; I213-V306 HydrophobicContact CD1-CG2 4.31Å; I213-V306 HydrophobicContact CG2-CG2 3.94Å
214	K	97.9	Very high	96.7	Very high	17 Å²	17	22.6 Å²	22.6	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-43.3	175.5	-75.6	-178.8	-176.2	-153.9	0	111.4	M210 N211 F218 D366 F395 F396 L399	M210-K214 WeakPolarHBondContact O-CG 3.23Å; M210-K214 PolarHBondContact O-N 3.48Å; N211-K214 PolarHBondContact O-N 2.96Å; N211-K214 VanDerWaalsContact O-N 3.16Å; K214-F218 WeakPolarHBondContact O-CB 3.26Å; K214-F218 PolarHBondContact O-N 3.12Å; K214-D366 IonicContact NZ-OD2 2.73Å; K214-D366 PolarHBondContact NZ-OD2 3.37Å; K214-F395 HydrophobicContact CD-CE2 4.34Å; K214-F395 HydrophobicContact CD-CZ 4.36Å; K214-F395 VanDerWaalsContact CD-O 3.31Å; K214-F395 WeakPolarHBondContact CD-O 3.5Å; K214-F395 VanDerWaalsContact CE-O 3.23Å; K214-F395 WeakPolarHBondContact CE-O 3.5Å; K214-F395 HydrophobicContact CG-CD1 4.19Å; K214-F395 HydrophobicContact CG-CE1 3.66Å; K214-F395 HydrophobicContact CG-CE2 4.08Å; K214-F395 HydrophobicContact CG-CZ 3.6Å; K214-F395 PolarHBondContact NZ-O 2.83Å; K214-F396 WeakPolarHBondContact O-CE1 3.35Å; K214-L399 HydrophobicContact CB-CD2 4.44Å
215	I	97.5	Very high	96.8	Very high	7 Å²	7	21.7 Å²	21.7	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-61.5	-48.4	176.6	-71.5	170.2	0	0	0	111.7	L11 V13 N211 N212 F218 Q219 L399	L11-I215 HydrophobicContact CB-CD1 4.33Å; L11-I215 HydrophobicContact CD1-CG1 4.14Å; V13-I215 HydrophobicContact CG2-CG2 4.03Å; N211-I215 WeakPolarHBondContact ND2-CD1 3.36Å; N211-I215 WeakPolarHBondContact O-CG1 3.49Å; N211-I215 PolarHBondContact O-N 3.48Å; N212-I215 PolarHBondContact O-N 2.72Å; I215-F218 PolarHBondContact O-N 2.93Å; I215-Q219 WeakPolarHBondContact O-CG 3.4Å; I215-Q219 PolarHBondContact O-N 3.14Å; I215-L399 HydrophobicContact CG1-CD2 4.19Å
216	F	98.3	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-44.9	179.7	-66.5	-37.7	0	0	0	112.3	V13 L197 Y200 L208 N212 I213 F218 Q219 I220 I244 L250 M305	V13-F216 HydrophobicContact CG1-CZ 4.46Å; V13-F216 HydrophobicContact CG2-CE1 3.7Å; V13-F216 HydrophobicContact CG2-CZ 3.77Å; L197-F216 HydrophobicContact CD1-CD2 4.39Å; Y200-F216 HydrophobicContact CD1-CE2 4.05Å; Y200-F216 HydrophobicContact CD1-CZ 4.33Å; Y200-F216 AromaticContact CE1-CE2 3.64Å; Y200-F216 HydrophobicContact CE1-CE2 3.64Å; Y200-F216 AromaticContact CE1-CZ 3.88Å; Y200-F216 HydrophobicContact CE1-CZ 3.88Å; Y200-F216 HydrophobicContact CE2-CZ 4.36Å; Y200-F216 AromaticContact CZ-CZ 3.9Å; L208-F216 HydrophobicContact CD2-CD2 3.94Å; L208-F216 HydrophobicContact CD2-CE2 3.87Å; N212-F216 HydrophobicContact CB-CE2 4.18Å; N212-F216 WeakPolarHBondContact O-CB 3.06Å; N212-F216 WeakPolarHBondContact O-CD2 3.07Å; N212-F216 VanDerWaalsContact O-CG 3.3Å; N212-F216 WeakPolarHBondContact O-CG 3.15Å; N212-F216 PolarHBondContact O-N 3.47Å; I213-F216 PolarHBondContact O-N 2.78Å; F216-F218 VanDerWaalsContact C-N 3.31Å; F216-F218 PolarHBondContact O-N 3.32Å; F216-Q219 PolarHBondContact O-N 2.64Å; F216-I220 WeakPolarHBondContact O-CD1 3.16Å; F216-I220 VanDerWaalsContact O-CG1 3.26Å; F216-I220 WeakPolarHBondContact O-CG1 3.38Å; F216-I220 PolarHBondContact O-N 3.32Å; F216-I244 HydrophobicContact CD1-CD1 4.36Å; F216-I244 HydrophobicContact CE1-CD1 3.94Å; F216-I244 HydrophobicContact CE1-CG1 4.41Å; F216-I244 HydrophobicContact CE1-CG2 4.2Å; F216-I244 HydrophobicContact CE2-CD1 4.34Å; F216-I244 HydrophobicContact CZ-CD1 3.93Å; F216-I244 HydrophobicContact CZ-CG2 4.37Å; F216-L250 HydrophobicContact CB-CD1 3.71Å; F216-L250 HydrophobicContact CD1-CB 3.93Å; F216-L250 HydrophobicContact CD1-CD1 3.65Å; F216-L250 HydrophobicContact CD1-CG 4.44Å; F216-L250 HydrophobicContact CE1-CB 4.47Å; F216-L250 HydrophobicContact CG-CD1 3.86Å; F216-M305 HydrophobicContact CB-CE 4.42Å; F216-M305 HydrophobicContact CB-SD 3.75Å; F216-M305 HydrophobicContact CD2-SD 4.34Å
217	A	98.5	Very high	96.9	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-41.5	176	0	0	0	0	0	112	I213 I220 L221 L302 M305 F396	I213-A217 VanDerWaalsContact O-CB 3.25Å; I213-A217 WeakPolarHBondContact O-CB 3.46Å; I213-A217 PolarHBondContact O-N 3.19Å; A217-I220 PolarHBondContact O-N 3.07Å; A217-L221 WeakPolarHBondContact O-CB 3.42Å; A217-L221 WeakPolarHBondContact O-CD1 3.26Å; A217-L221 VanDerWaalsContact O-CG 3.24Å; A217-L221 WeakPolarHBondContact O-CG 3.37Å; A217-L221 PolarHBondContact O-N 3.08Å; A217-L302 HydrophobicContact CB-CD1 4.16Å; A217-M305 HydrophobicContact CB-CE 4.15Å; A217-F396 HydrophobicContact CB-CE1 3.96Å; A217-F396 HydrophobicContact CB-CZ 3.98Å
218	F	98.4	Very high	96.7	Very high	9 Å²	9	13.6 Å²	13.6	4%	0.039	7%	0.071	C	C	.	.	H	α-helix	trans	-62.7	-45.5	175	-172.1	-93.1	0	0	0	112.1	K214 I215 F216 I220 L221 R222 M391 F396 L399 I403 H404	K214-F218 WeakPolarHBondContact O-CB 3.26Å; K214-F218 PolarHBondContact O-N 3.12Å; I215-F218 PolarHBondContact O-N 2.93Å; F216-F218 VanDerWaalsContact C-N 3.31Å; F216-F218 PolarHBondContact O-N 3.32Å; F218-I220 PolarHBondContact O-N 2.65Å; F218-L221 PolarHBondContact O-N 3.43Å; F218-R222 WeakPolarHBondContact O-CB 3.22Å; F218-R222 PolarHBondContact O-N 3.06Å; F218-M391 HydrophobicContact CD2-CB 4.37Å; F218-M391 HydrophobicContact CD2-CG 4.24Å; F218-M391 HydrophobicContact CE2-CB 3.79Å; F218-M391 HydrophobicContact CE2-CG 3.88Å; F218-M391 HydrophobicContact CE2-SD 4.19Å; F218-M391 HydrophobicContact CZ-CB 4.43Å; F218-M391 HydrophobicContact CZ-CG 4.29Å; F218-M391 HydrophobicContact CZ-SD 3.98Å; F218-F396 HydrophobicContact CB-CD1 3.95Å; F218-F396 HydrophobicContact CB-CE1 3.85Å; F218-F396 HydrophobicContact CD2-CB 4.4Å; F218-F396 HydrophobicContact CD2-CD1 4.06Å; F218-F396 HydrophobicContact CD2-CD2 4.49Å; F218-F396 HydrophobicContact CD2-CG 4.05Å; F218-F396 HydrophobicContact CG-CD1 4.49Å; F218-L399 HydrophobicContact CB-CD1 4.09Å; F218-L399 HydrophobicContact CD2-CD1 4.41Å; F218-L399 HydrophobicContact CG-CD1 4.23Å; F218-I403 HydrophobicContact CD1-CD1 4.15Å; F218-I403 HydrophobicContact CD2-CD1 4.08Å; F218-I403 HydrophobicContact CE1-CB 4.05Å; F218-I403 HydrophobicContact CE1-CD1 3.77Å; F218-I403 HydrophobicContact CE1-CG1 3.87Å; F218-I403 HydrophobicContact CE2-CD1 3.71Å; F218-I403 HydrophobicContact CE2-CG1 4.08Å; F218-I403 HydrophobicContact CG-CD1 4.3Å; F218-I403 HydrophobicContact CZ-CB 4.15Å; F218-I403 HydrophobicContact CZ-CD1 3.55Å; F218-I403 HydrophobicContact CZ-CG1 3.52Å; F218-H404 AromaticContact CE2-CE1 3.82Å; F218-H404 AromaticContact CE2-ND1 3.96Å; F218-H404 AromaticContact CZ-ND1 3.92Å
219	Q	98.2	Very high	96.6	Very high	24 Å²	24	17.4 Å²	17.4	11%	0.112	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-40.8	178.5	-74.2	-174.2	92.4	0	0	112.9	N172 I215 F216 R222 G223 G248 L250	N172-Q219 WeakPolarHBondContact CB-O 3.41Å; N172-Q219 WeakPolarHBondContact ND2-CB 3.35Å; N172-Q219 VanDerWaalsContact ND2-CG 3.34Å; N172-Q219 WeakPolarHBondContact ND2-CG 3.46Å; N172-Q219 PolarHBondContact ND2-OE1 3.28Å; I215-Q219 WeakPolarHBondContact O-CG 3.4Å; I215-Q219 PolarHBondContact O-N 3.14Å; F216-Q219 PolarHBondContact O-N 2.64Å; Q219-R222 PolarHBondContact O-N 3.34Å; Q219-G223 PolarHBondContact O-N 2.86Å; Q219-G248 PolarHBondContact NE2-O 3.41Å; Q219-L250 HydrophobicContact CB-CB 4.09Å; Q219-L250 HydrophobicContact CB-CD2 4.5Å
220	I	98.5	Very high	96.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-50.8	172.8	-65.3	161.4	0	0	0	110.2	F216 A217 F218 R222 G223 L224 L242 L250 L252 V298 I301 M305	F216-I220 WeakPolarHBondContact O-CD1 3.16Å; F216-I220 VanDerWaalsContact O-CG1 3.26Å; F216-I220 WeakPolarHBondContact O-CG1 3.38Å; F216-I220 PolarHBondContact O-N 3.32Å; A217-I220 PolarHBondContact O-N 3.07Å; F218-I220 PolarHBondContact O-N 2.65Å; I220-R222 VanDerWaalsContact C-N 3.32Å; I220-R222 PolarHBondContact O-N 2.75Å; I220-G223 PolarHBondContact O-N 3.41Å; I220-L224 HydrophobicContact CG2-CD1 3.9Å; I220-L224 WeakPolarHBondContact O-CG 3.32Å; I220-L224 PolarHBondContact O-N 3.49Å; I220-L242 HydrophobicContact CD1-CD1 3.59Å; I220-L242 HydrophobicContact CG1-CD1 3.92Å; I220-L242 HydrophobicContact CG1-CD2 4.29Å; I220-L250 HydrophobicContact CD1-CD1 4.27Å; I220-L250 HydrophobicContact CG1-CD1 4.09Å; I220-L250 HydrophobicContact CG1-CD2 3.59Å; I220-L252 HydrophobicContact CG2-CD2 4.48Å; I220-V298 HydrophobicContact CG2-CG1 4.28Å; I220-V298 HydrophobicContact CG2-CG2 3.85Å; I220-I301 HydrophobicContact CD1-CG2 4.17Å; I220-M305 HydrophobicContact CD1-CE 4.22Å
221	L	98.5	Very high	95.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-37.9	179.9	-70.7	166.9	0	0	0	112.2	A217 F218 L224 A225 M295 V298 A387 M391 F396	A217-L221 WeakPolarHBondContact O-CB 3.42Å; A217-L221 WeakPolarHBondContact O-CD1 3.26Å; A217-L221 VanDerWaalsContact O-CG 3.24Å; A217-L221 WeakPolarHBondContact O-CG 3.37Å; A217-L221 PolarHBondContact O-N 3.08Å; F218-L221 PolarHBondContact O-N 3.43Å; L221-L224 PolarHBondContact O-N 2.96Å; L221-A225 VanDerWaalsContact O-CB 3.29Å; L221-A225 WeakPolarHBondContact O-CB 3.48Å; L221-A225 PolarHBondContact O-N 3.32Å; L221-M295 HydrophobicContact CD2-CE 3.59Å; L221-V298 HydrophobicContact CD2-CG1 4.06Å; L221-V298 HydrophobicContact CG-CG1 4.37Å; L221-A387 HydrophobicContact CD2-CB 4.38Å; L221-M391 HydrophobicContact CB-CG 3.69Å; L221-F396 HydrophobicContact CD1-CE2 3.54Å; L221-F396 HydrophobicContact CD1-CZ 3.51Å
222	R	97.9	Very high	95.1	Very high	23 Å²	23	28.4 Å²	28.4	9%	0.087	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-46.9	177.7	-163.2	-180	165.9	-123.6	6.2	111.9	N172 F218 Q219 I220 L224 A225 Y226 M391 L406 D407 K410	N172-R222 PolarHBondContact OD1-NH1 3.1Å; F218-R222 WeakPolarHBondContact O-CB 3.22Å; F218-R222 PolarHBondContact O-N 3.06Å; Q219-R222 PolarHBondContact O-N 3.34Å; I220-R222 VanDerWaalsContact C-N 3.32Å; I220-R222 PolarHBondContact O-N 2.75Å; R222-L224 PolarHBondContact O-N 2.77Å; R222-A225 PolarHBondContact O-N 3.14Å; R222-Y226 PolarHBondContact O-N 3.14Å; R222-Y226 VanDerWaalsContact O-N 3.1Å; R222-M391 WeakPolarHBondContact CA-SD 3.43Å; R222-M391 HydrophobicContact CB-SD 3.57Å; R222-M391 VanDerWaalsContact CB-SD 3.57Å; R222-M391 HydrophobicContact CG-SD 3.74Å; R222-L406 PolarHBondContact NH2-O 3.29Å; R222-D407 PolarHBondContact NH2-O 2.74Å; R222-K410 PolarHBondContact NH1-O 3.06Å; R222-K410 PolarHBondContact NH2-O 3.02Å
223	G	96.8	Very high	94.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-43.9	172.9	0	0	0	0	0	112.8	Q219 I220 Y226 C227 L252	Q219-G223 PolarHBondContact O-N 2.86Å; I220-G223 PolarHBondContact O-N 3.41Å; G223-Y226 WeakPolarHBondContact O-CB 3.38Å; G223-Y226 PolarHBondContact O-N 2.98Å; G223-C227 PolarHBondContact O-N 3.01Å; G223-C227 PolarHBondContact O-SG 3.24Å; G223-C227 VanDerWaalsContact O-SG 3.4Å; G223-L252 VanDerWaalsContact C-CD1 3.48Å
224	L	96.4	Very high	94.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.3	-42	178.3	-71.2	172.1	0	0	0	112.2	I220 L221 R222 Y226 C227 H228 H234 L237 L252 D294 V298 A387	I220-L224 HydrophobicContact CG2-CD1 3.9Å; I220-L224 WeakPolarHBondContact O-CG 3.32Å; I220-L224 PolarHBondContact O-N 3.49Å; L221-L224 PolarHBondContact O-N 2.96Å; R222-L224 PolarHBondContact O-N 2.77Å; L224-Y226 VanDerWaalsContact C-N 3.28Å; L224-Y226 PolarHBondContact O-N 3.22Å; L224-C227 PolarHBondContact O-N 3.09Å; L224-C227 VanDerWaalsContact O-N 3.14Å; L224-H228 VanDerWaalsContact O-CB 3.28Å; L224-H228 WeakPolarHBondContact O-CB 3.5Å; L224-H228 PolarHBondContact O-CD2 3.01Å; L224-H228 PolarHBondContact O-N 3.36Å; L224-H234 HydrophobicContact CD2-CB 4.13Å; L224-L237 HydrophobicContact CD1-CD1 3.82Å; L224-L237 HydrophobicContact CD2-CD1 4.11Å; L224-L252 HydrophobicContact CD2-CD1 3.75Å; L224-L252 HydrophobicContact CG-CD1 3.92Å; L224-D294 HydrophobicContact CD1-CB 4.43Å; L224-D294 HydrophobicContact CD2-CB 4.11Å; L224-V298 HydrophobicContact CD1-CG2 3.27Å; L224-A387 HydrophobicContact CB-CB 3.95Å
225	A	96.6	Very high	93.5	Very high	16 Å²	16	34 Å²	34	13%	0.132	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-40.3	176.5	0	0	0	0	0	112	L221 R222 A229 A387 R388 M391	L221-A225 VanDerWaalsContact O-CB 3.29Å; L221-A225 WeakPolarHBondContact O-CB 3.48Å; L221-A225 PolarHBondContact O-N 3.32Å; R222-A225 PolarHBondContact O-N 3.14Å; A225-A229 VanDerWaalsContact O-CB 3.27Å; A225-A229 WeakPolarHBondContact O-CB 3.44Å; A225-A229 PolarHBondContact O-N 3.02Å; A225-A229 VanDerWaalsContact O-N 3.07Å; A225-A387 HydrophobicContact CB-CB 3.96Å; A225-R388 HydrophobicContact CB-CB 4.31Å; A225-M391 HydrophobicContact CB-CE 3.65Å
226	Y	94.9	Very high	92.9	Very high	14 Å²	14	36 Å²	36	6%	0.055	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-45.3	174	176.5	-83	0	0	0	112.7	L168 R169 H170 V173 R222 G223 L224 R230 D408	L168-Y226 HydrophobicContact CB-CE1 4.13Å; L168-Y226 HydrophobicContact CD2-CE1 3.82Å; R169-Y226 PolarHBondContact N-OH 2.91Å; R169-Y226 WeakPolarHBondContact O-CE2 3.27Å; R169-Y226 PolarHBondContact O-OH 3.08Å; H170-Y226 HydrophobicContact CB-CD1 3.73Å; H170-Y226 HydrophobicContact CB-CD2 3.55Å; H170-Y226 HydrophobicContact CB-CE1 3.89Å; H170-Y226 HydrophobicContact CB-CE2 3.65Å; H170-Y226 HydrophobicContact CB-CG 3.59Å; H170-Y226 AromaticContact CD2-CD2 3.29Å; H170-Y226 WeakPolarHBondContact CD2-CD2 3.24Å; H170-Y226 AromaticContact CD2-CG 3.65Å; H170-Y226 AromaticContact CG-CD2 3.6Å; H170-Y226 AromaticContact CG-CG 3.62Å; V173-Y226 HydrophobicContact CG2-CD1 4.46Å; R222-Y226 PolarHBondContact O-N 3.14Å; R222-Y226 VanDerWaalsContact O-N 3.1Å; G223-Y226 WeakPolarHBondContact O-CB 3.38Å; G223-Y226 PolarHBondContact O-N 2.98Å; L224-Y226 VanDerWaalsContact C-N 3.28Å; L224-Y226 PolarHBondContact O-N 3.22Å; Y226-R230 PolarHBondContact O-NH1 3.31Å; Y226-R230 PolarHBondContact OH-NE 3.07Å; Y226-D408 HydrophobicContact CD2-CB 4.02Å; Y226-D408 VanDerWaalsContact CD2-CG 3.44Å; Y226-D408 WeakPolarHBondContact CD2-OD1 3.49Å; Y226-D408 WeakPolarHBondContact CD2-OD2 3.36Å; Y226-D408 HydrophobicContact CE2-CB 3.79Å; Y226-D408 VanDerWaalsContact CE2-CG 3.44Å; Y226-D408 WeakPolarHBondContact CE2-OD2 3.48Å
227	C	92.2	Very high	92.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-72.5	-45.1	-178.8	-70.8	0	0	0	0	112.3	G223 L224 A229 R230 R231 V232 F255	G223-C227 PolarHBondContact O-N 3.01Å; G223-C227 PolarHBondContact O-SG 3.24Å; G223-C227 VanDerWaalsContact O-SG 3.4Å; L224-C227 PolarHBondContact O-N 3.09Å; L224-C227 VanDerWaalsContact O-N 3.14Å; C227-A229 PolarHBondContact O-N 3.31Å; C227-R230 CarbonylContact O-C 3.53Å; C227-R230 VanDerWaalsContact O-C 3.3Å; C227-R230 WeakPolarHBondContact O-CA 3.14Å; C227-R230 PolarHBondContact O-N 3.03Å; C227-R231 PolarHBondContact O-N 2.9Å; C227-R231 VanDerWaalsContact O-N 3.12Å; C227-V232 CarbonylContact C-O 3.55Å; C227-V232 HydrophobicContact CB-CB 4.08Å; C227-V232 HydrophobicContact CB-CG1 4.29Å; C227-V232 PolarHBondContact O-N 3.05Å; C227-F255 HydrophobicContact CB-CE1 4.26Å; C227-F255 WeakPolarHBondContact SG-CE1 3.28Å; C227-F255 VanDerWaalsContact SG-CZ 3.59Å
228	H	91.9	Very high	92.4	Very high	27 Å²	27	38 Å²	38	13%	0.125	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-42.3	178.1	-69.2	-177.7	0	0	0	111.5	L224 R230 R231 V232 T291 D294	L224-H228 VanDerWaalsContact O-CB 3.28Å; L224-H228 WeakPolarHBondContact O-CB 3.5Å; L224-H228 PolarHBondContact O-CD2 3.01Å; L224-H228 PolarHBondContact O-N 3.36Å; H228-R230 PolarHBondContact O-N 3.07Å; H228-R230 VanDerWaalsContact O-N 3.16Å; H228-R231 PolarHBondContact O-N 3.43Å; H228-V232 PolarHBondContact CD2-O 2.87Å; H228-T291 HydrophobicContact CB-CG2 3.77Å; H228-T291 PolarHBondContact CE1-O 2.95Å; H228-D294 IonicContact CD2-OD2 3.9Å; H228-D294 IonicContact CE1-OD2 2.71Å; H228-D294 IonicContact NE2-OD2 2.73Å; H228-D294 PolarHBondContact NE2-OD2 3.1Å
229	A	92	Very high	92.2	Very high	82 Å²	82	37.5 Å²	37.5	68%	0.678	18%	0.176	S	C	*	.	H	α-helix	trans	-59.6	-24.9	173.1	0	0	0	0	0	113.3	A225 C227	A225-A229 VanDerWaalsContact O-CB 3.27Å; A225-A229 WeakPolarHBondContact O-CB 3.44Å; A225-A229 PolarHBondContact O-N 3.02Å; A225-A229 VanDerWaalsContact O-N 3.07Å; C227-A229 PolarHBondContact O-N 3.31Å
230	R	88.3	Confident	91.9	Very high	106 Å²	106	40.1 Å²	40.1	40%	0.4	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	12.1	177.2	-67.2	168.4	178	80.5	-5.9	112.8	Y226 C227 H228 V232 D408	Y226-R230 PolarHBondContact O-NH1 3.31Å; Y226-R230 PolarHBondContact OH-NE 3.07Å; C227-R230 CarbonylContact O-C 3.53Å; C227-R230 VanDerWaalsContact O-C 3.3Å; C227-R230 WeakPolarHBondContact O-CA 3.14Å; C227-R230 PolarHBondContact O-N 3.03Å; H228-R230 PolarHBondContact O-N 3.07Å; H228-R230 VanDerWaalsContact O-N 3.16Å; R230-V232 PolarHBondContact O-N 3.11Å; R230-D408 IonicContact CZ-OD2 2.75Å; R230-D408 IonicContact NH1-OD2 2.69Å; R230-D408 IonicContact NH2-OD2 3.79Å; R230-D408 PolarHBondContact NH2-OD2 2.94Å
231	R	86	Confident	91.6	Very high	233 Å²	233	40.7 Å²	40.7	88%	0.879	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	22.9	-178.8	-51.9	-179.9	-178.2	-177.2	-1.1	114.5	C227 H228	C227-R231 PolarHBondContact O-N 2.9Å; C227-R231 VanDerWaalsContact O-N 3.12Å; H228-R231 PolarHBondContact O-N 3.43Å
232	V	84.6	Confident	91.5	Very high	33 Å²	33	40.6 Å²	40.6	20%	0.2	19%	0.191	C	C	.	.			trans	-91.6	133.4	172	175.7	0	0	0	0	109.1	L168 C227 H228 R230 F255	L168-V232 HydrophobicContact CD1-CG1 4.29Å; L168-V232 HydrophobicContact CD2-CG2 4.18Å; C227-V232 CarbonylContact C-O 3.55Å; C227-V232 HydrophobicContact CB-CB 4.08Å; C227-V232 HydrophobicContact CB-CG1 4.29Å; C227-V232 PolarHBondContact O-N 3.05Å; H228-V232 PolarHBondContact CD2-O 2.87Å; R230-V232 PolarHBondContact O-N 3.11Å; V232-F255 HydrophobicContact CG1-CD1 3.79Å; V232-F255 HydrophobicContact CG1-CE1 4.07Å
233	L	84.6	Confident	91.5	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.162	20%	0.197	C	C	.	.			trans	-114.1	138.6	179.3	-61.6	166.5	0	0	0	108.8	R235 Y289 T291	L233-R235 HydrophobicContact CB-CG 3.83Å; L233-Y289 WeakPolarHBondContact CD1-O 3.3Å; L233-T291 VanDerWaalsContact CD2-CA 3.42Å; L233-T291 HydrophobicContact CD2-CG2 3.61Å
234	H	87.7	Confident	91.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.197	C	C	.	.			trans	-77.8	-49	-179.3	-156.9	-77	0	0	0	111.7	L224 D236 L237 A253 F255 G256 D294	L224-H234 HydrophobicContact CD2-CB 4.13Å; H234-D236 PolarHBondContact CE1-O 3.4Å; H234-D236 PolarHBondContact ND1-O 2.87Å; H234-D236 VanDerWaalsContact ND1-O 3.14Å; H234-D236 PolarHBondContact O-N 3.05Å; H234-L237 HydrophobicContact CB-CD1 4.44Å; H234-L237 HydrophobicContact CB-CD2 4.21Å; H234-L237 HydrophobicContact CB-CG 3.92Å; H234-A253 PolarHBondContact CE1-O 2.86Å; H234-A253 PolarHBondContact NE2-O 3.4Å; H234-F255 AromaticContact CD2-CD1 3.66Å; H234-F255 AromaticContact CD2-CE1 3.65Å; H234-G256 PolarHBondContact O-N 3.35Å; H234-G256 VanDerWaalsContact O-N 3.08Å; H234-D294 WeakPolarHBondContact CB-OD1 3.46Å; H234-D294 PolarHBondContact N-OD1 2.96Å; H234-D294 PolarHBondContact N-OD2 3.24Å
235	R	85.2	Confident	91.3	Very high	102 Å²	102	42.8 Å²	42.8	39%	0.385	20%	0.204	S	C	.	.			trans	63.2	-20.2	176.6	-57	178.5	171.1	156.6	-8.7	117.3	L233 D294	L233-R235 HydrophobicContact CB-CG 3.83Å; R235-D294 PolarHBondContact N-OD1 3.31Å
236	D	85.4	Confident	91	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	23%	0.233	S	C	.	.			trans	-127	62.7	174.5	-174.8	33.7	0	0	0	109	H234 K238 N241	H234-D236 PolarHBondContact CE1-O 3.4Å; H234-D236 PolarHBondContact ND1-O 2.87Å; H234-D236 VanDerWaalsContact ND1-O 3.14Å; H234-D236 PolarHBondContact O-N 3.05Å; D236-K238 IonicContact OD1-NZ 3.2Å; D236-K238 PolarHBondContact OD1-NZ 2.83Å; D236-K238 IonicContact OD2-NZ 3.79Å; D236-K238 PolarHBondContact OD2-NZ 3.48Å; D236-N241 PolarHBondContact O-ND2 3Å; D236-N241 PolarHBondContact OD2-ND2 2.74Å
237	L	92.6	Very high	90.9	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.042	26%	0.261	C	S	.	.			trans	-82.2	126.7	171.9	-80.5	173.1	0	0	0	109.7	L224 H234 L242 L252 Y277 D294 V298 I301	L224-L237 HydrophobicContact CD1-CD1 3.82Å; L224-L237 HydrophobicContact CD2-CD1 4.11Å; H234-L237 HydrophobicContact CB-CD1 4.44Å; H234-L237 HydrophobicContact CB-CD2 4.21Å; H234-L237 HydrophobicContact CB-CG 3.92Å; L237-L242 HydrophobicContact CD2-CD2 4.14Å; L237-L252 HydrophobicContact CD2-CD2 4.16Å; L237-Y277 WeakPolarHBondContact O-CB 3.32Å; L237-Y277 WeakPolarHBondContact O-CD2 3.38Å; L237-Y277 VanDerWaalsContact O-CG 3.25Å; L237-D294 HydrophobicContact CD1-CB 3.76Å; L237-D294 VanDerWaalsContact CD1-O 3.27Å; L237-D294 WeakPolarHBondContact CD1-O 3.35Å; L237-V298 HydrophobicContact CD1-CG2 4.2Å; L237-I301 HydrophobicContact CB-CD1 4.13Å
238	K	93.1	Very high	90.9	Very high	35 Å²	35	57.2 Å²	57.2	15%	0.152	26%	0.263	C	S	.	.			trans	-162.5	158.3	175.2	58.9	-172.3	173.4	-130.5	0	108.4	D236 Q240 N241 Y277	D236-K238 IonicContact OD1-NZ 3.2Å; D236-K238 PolarHBondContact OD1-NZ 2.83Å; D236-K238 IonicContact OD2-NZ 3.79Å; D236-K238 PolarHBondContact OD2-NZ 3.48Å; K238-Q240 HydrophobicContact CG-CB 4.37Å; K238-Q240 PolarHBondContact O-N 3.32Å; K238-Q240 VanDerWaalsContact O-N 3.13Å; K238-N241 WeakPolarHBondContact CE-ND2 3.39Å; K238-N241 VanDerWaalsContact CE-OD1 3.27Å; K238-N241 WeakPolarHBondContact CE-OD1 3.4Å; K238-N241 HydrophobicContact CG-CB 4.11Å; K238-N241 PolarHBondContact O-N 3.47Å; K238-Y277 HydrophobicContact CB-CD2 3.54Å; K238-Y277 HydrophobicContact CB-CE2 3.37Å; K238-Y277 HydrophobicContact CB-CG 4.28Å
239	P	94.5	Very high	91	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.2	-179.2	-29.1	37.7	0	0	0	114.4	L197 K198 M201 N241 L242 Y277 I301	L197-P239 HydrophobicContact CB-CB 4.04Å; L197-P239 WeakPolarHBondContact CB-O 3.34Å; L197-P239 HydrophobicContact CD2-CB 4.15Å; L197-P239 HydrophobicContact CG-CB 4.13Å; L197-P239 PolarHBondContact N-O 3.33Å; K198-P239 HydrophobicContact CB-CB 3.99Å; M201-P239 HydrophobicContact CE-CB 3.88Å; M201-P239 HydrophobicContact CE-CG 3.94Å; P239-N241 PolarHBondContact O-N 2.85Å; P239-L242 PolarHBondContact O-N 2.71Å; P239-L242 VanDerWaalsContact O-N 3.08Å; P239-Y277 VanDerWaalsContact CD-CZ 3.44Å; P239-Y277 VanDerWaalsContact CD-OH 3.24Å; P239-Y277 WeakPolarHBondContact CD-OH 3.19Å; P239-Y277 HydrophobicContact CG-CE1 4.48Å; P239-I301 HydrophobicContact CG-CG1 4.42Å
240	Q	91.7	Very high	91.3	Very high	78 Å²	78	54.4 Å²	54.4	36%	0.364	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-66.7	-19.6	178.1	-58.5	79.5	9.8	0	0	113.8	K198 K238	K198-Q240 HydrophobicContact CB-CG 4.46Å; K238-Q240 HydrophobicContact CG-CB 4.37Å; K238-Q240 PolarHBondContact O-N 3.32Å; K238-Q240 VanDerWaalsContact O-N 3.13Å
241	N	93.1	Very high	91.7	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.07	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-99.1	7.7	176.8	-70.7	5	0	0	0	112.1	D236 K238 P239 A253 D254	D236-N241 PolarHBondContact O-ND2 3Å; D236-N241 PolarHBondContact OD2-ND2 2.74Å; K238-N241 WeakPolarHBondContact CE-ND2 3.39Å; K238-N241 VanDerWaalsContact CE-OD1 3.27Å; K238-N241 WeakPolarHBondContact CE-OD1 3.4Å; K238-N241 HydrophobicContact CG-CB 4.11Å; K238-N241 PolarHBondContact O-N 3.47Å; P239-N241 PolarHBondContact O-N 2.85Å; N241-A253 PolarHBondContact O-N 2.91Å; N241-D254 HydrophobicContact CB-CB 4.49Å
242	L	96.4	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	100.6	176.1	-60.7	-179	0	0	0	108.4	D196 L197 I220 L237 P239 L250 L252 I301	D196-L242 CarbonylContact C-O 3.58Å; D196-L242 WeakPolarHBondContact CA-O 3.47Å; L197-L242 HydrophobicContact CB-CB 3.98Å; L197-L242 HydrophobicContact CD2-CB 4.41Å; L197-L242 HydrophobicContact CD2-CD1 3.72Å; L197-L242 PolarHBondContact N-O 2.94Å; I220-L242 HydrophobicContact CD1-CD1 3.59Å; I220-L242 HydrophobicContact CG1-CD1 3.92Å; I220-L242 HydrophobicContact CG1-CD2 4.29Å; L237-L242 HydrophobicContact CD2-CD2 4.14Å; P239-L242 PolarHBondContact O-N 2.71Å; P239-L242 VanDerWaalsContact O-N 3.08Å; L242-L250 HydrophobicContact CB-CD2 4.32Å; L242-L250 HydrophobicContact CD2-CD2 4.27Å; L242-L252 HydrophobicContact CD2-CD2 3.4Å; L242-L252 VanDerWaalsContact CD2-CD2 3.4Å; L242-I301 HydrophobicContact CD1-CD1 3.91Å; L242-I301 HydrophobicContact CD1-CG2 3.87Å
243	L	96.6	Very high	92.5	Very high	41 Å²	41	38.2 Å²	38.2	22%	0.215	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.8	-175.1	-59.5	-174.8	0	0	0	111.3	V174 L193 S195 D196 L250 K251 A253	V174-L243 HydrophobicContact CG2-CD1 4.24Å; L193-L243 HydrophobicContact CB-CB 3.9Å; L193-L243 HydrophobicContact CD1-CB 4.2Å; L193-L243 HydrophobicContact CD1-CD1 4.27Å; L193-L243 HydrophobicContact CD2-CB 3.91Å; L193-L243 HydrophobicContact CG-CB 4.22Å; S195-L243 WeakPolarHBondContact O-CA 3.27Å; D196-L243 HydrophobicContact CB-CD2 3.72Å; L243-L250 CarbonylContact O-C 3.58Å; L243-L250 WeakPolarHBondContact O-CA 3.16Å; L243-K251 PolarHBondContact N-O 3.09Å; L243-K251 PolarHBondContact O-N 3.47Å; L243-A253 HydrophobicContact CD1-CB 3.74Å; L243-A253 HydrophobicContact CG-CB 3.71Å
244	I	96.8	Very high	92.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.4	-175.7	-59.2	174.5	0	0	0	109	D194 S195 L197 Y200 F216 L250	D194-I244 PolarHBondContact N-O 3.13Å; S195-I244 PolarHBondContact N-O 2.92Å; S195-I244 PolarHBondContact O-N 2.93Å; S195-I244 PolarHBondContact OG-O 3.24Å; L197-I244 HydrophobicContact CB-CD1 3.99Å; L197-I244 HydrophobicContact CD1-CD1 3.7Å; L197-I244 HydrophobicContact CG-CD1 4.45Å; Y200-I244 HydrophobicContact CD1-CD1 4.49Å; Y200-I244 HydrophobicContact CD2-CD1 4.36Å; Y200-I244 HydrophobicContact CD2-CG2 4.09Å; Y200-I244 HydrophobicContact CE2-CG2 4.39Å; Y200-I244 HydrophobicContact CG-CD1 4.03Å; F216-I244 HydrophobicContact CD1-CD1 4.36Å; F216-I244 HydrophobicContact CE1-CD1 3.94Å; F216-I244 HydrophobicContact CE1-CG1 4.41Å; F216-I244 HydrophobicContact CE1-CG2 4.2Å; F216-I244 HydrophobicContact CE2-CD1 4.34Å; F216-I244 HydrophobicContact CZ-CD1 3.93Å; F216-I244 HydrophobicContact CZ-CG2 4.37Å; I244-L250 HydrophobicContact CD1-CD1 4.15Å; I244-L250 HydrophobicContact CG1-CB 4.19Å; I244-L250 HydrophobicContact CG1-CD1 4.11Å; I244-L250 HydrophobicContact CG1-CG 4.01Å
245	N	93.6	Very high	91.4	Very high	26 Å²	26	40.4 Å²	40.4	14%	0.139	19%	0.185	C	C	.	.			trans	-99.5	170.7	173.2	73.7	16.9	0	0	0	112.7	L193 D194 R247 G248 E249	L193-N245 HydrophobicContact CB-CB 4.46Å; L193-N245 HydrophobicContact CD2-CB 4.18Å; L193-N245 HydrophobicContact CG-CB 4.33Å; D194-N245 WeakPolarHBondContact OD2-CA 3.4Å; D194-N245 WeakPolarHBondContact OD2-CB 3.21Å; N245-R247 PolarHBondContact O-N 2.96Å; N245-R247 WeakPolarHBondContact OD1-CB 3.36Å; N245-R247 PolarHBondContact OD1-N 3.01Å; N245-G248 PolarHBondContact O-N 3.19Å; N245-E249 PolarHBondContact N-O 2.88Å; N245-E249 PolarHBondContact ND2-OE2 3.17Å; N245-E249 WeakPolarHBondContact OD1-CB 3.17Å; N245-E249 PolarHBondContact OD1-N 2.73Å
246	Q	90.4	Very high	90.2	Very high	158 Å²	158	36.8 Å²	36.8	74%	0.738	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-11.5	179.1	-74.1	168.4	44.7	0	0	116.1	D194	D194-Q246 HydrophobicContact CB-CG 4.42Å; D194-Q246 PolarHBondContact OD1-NE2 3.29Å; D194-Q246 PolarHBondContact OD2-N 3.43Å
247	R	91.2	Very high	88.5	Confident	173 Å²	173	35.9 Å²	35.9	65%	0.653	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.1	177.8	-59.6	171.9	164.1	-154.1	-9.7	113.7	N245 E249	N245-R247 PolarHBondContact O-N 2.96Å; N245-R247 WeakPolarHBondContact OD1-CB 3.36Å; N245-R247 PolarHBondContact OD1-N 3.01Å; R247-E249 HydrophobicContact CB-CG 4.08Å; R247-E249 WeakPolarHBondContact CD-OE1 3.3Å; R247-E249 IonicContact CZ-OE1 2.71Å; R247-E249 IonicContact NE-OE1 2.63Å; R247-E249 IonicContact NH1-OE1 2.73Å; R247-E249 PolarHBondContact NH1-OE1 3.49Å
248	G	92.2	Very high	86.1	Confident	4 Å²	4	36.6 Å²	36.6	4%	0.041	18%	0.182	C	C	.	.			trans	84.9	10.8	-169.4	0	0	0	0	0	115	V13 Q219 N245 L250	V13-G248 VanDerWaalsContact CG2-CA 3.46Å; Q219-G248 PolarHBondContact NE2-O 3.41Å; N245-G248 PolarHBondContact O-N 3.19Å; G248-L250 PolarHBondContact O-N 3.06Å
249	E	95.4	Very high	83.7	Confident	50 Å²	50	40.7 Å²	40.7	23%	0.234	20%	0.196	C	C	.	.			trans	-72.5	113.2	173.1	-58	164.3	-172.2	0	0	108.1	N245 R247	N245-E249 PolarHBondContact N-O 2.88Å; N245-E249 PolarHBondContact ND2-OE2 3.17Å; N245-E249 WeakPolarHBondContact OD1-CB 3.17Å; N245-E249 PolarHBondContact OD1-N 2.73Å; R247-E249 HydrophobicContact CB-CG 4.08Å; R247-E249 WeakPolarHBondContact CD-OE1 3.3Å; R247-E249 IonicContact CZ-OE1 2.71Å; R247-E249 IonicContact NE-OE1 2.63Å; R247-E249 IonicContact NH1-OE1 2.73Å; R247-E249 PolarHBondContact NH1-OE1 3.49Å
250	L	97.9	Very high	81.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.2	-179.4	-175.7	160.7	0	0	0	110.3	N172 F216 Q219 I220 L242 L243 I244 G248	N172-L250 WeakPolarHBondContact CA-O 3.47Å; N172-L250 WeakPolarHBondContact CB-O 3.32Å; N172-L250 PolarHBondContact ND2-O 3.47Å; F216-L250 HydrophobicContact CB-CD1 3.71Å; F216-L250 HydrophobicContact CD1-CB 3.93Å; F216-L250 HydrophobicContact CD1-CD1 3.65Å; F216-L250 HydrophobicContact CD1-CG 4.44Å; F216-L250 HydrophobicContact CE1-CB 4.47Å; F216-L250 HydrophobicContact CG-CD1 3.86Å; Q219-L250 HydrophobicContact CB-CB 4.09Å; Q219-L250 HydrophobicContact CB-CD2 4.5Å; I220-L250 HydrophobicContact CD1-CD1 4.27Å; I220-L250 HydrophobicContact CG1-CD1 4.09Å; I220-L250 HydrophobicContact CG1-CD2 3.59Å; L242-L250 HydrophobicContact CB-CD2 4.32Å; L242-L250 HydrophobicContact CD2-CD2 4.27Å; L243-L250 CarbonylContact O-C 3.58Å; L243-L250 WeakPolarHBondContact O-CA 3.16Å; I244-L250 HydrophobicContact CD1-CD1 4.15Å; I244-L250 HydrophobicContact CG1-CB 4.19Å; I244-L250 HydrophobicContact CG1-CD1 4.11Å; I244-L250 HydrophobicContact CG1-CG 4.01Å; G248-L250 PolarHBondContact O-N 3.06Å
251	K	97.2	Very high	78.2	Confident	21 Å²	21	47.3 Å²	47.3	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.7	-176.8	-52.3	-164.2	-176.9	-170	0	113.1	A171 V174 E191 L193 L243 A253	A171-K251 VanDerWaalsContact O-CD 3.25Å; A171-K251 WeakPolarHBondContact O-CD 3.42Å; A171-K251 WeakPolarHBondContact O-CE 3.16Å; A171-K251 WeakPolarHBondContact O-CG 3.34Å; V174-K251 HydrophobicContact CG2-CB 3.58Å; E191-K251 VanDerWaalsContact CD-NZ 3.31Å; E191-K251 IonicContact OE1-NZ 2.68Å; E191-K251 PolarHBondContact OE1-NZ 3.06Å; E191-K251 VanDerWaalsContact OE1-NZ 3.17Å; E191-K251 WeakPolarHBondContact OE2-CE 3.49Å; E191-K251 IonicContact OE2-NZ 2.72Å; E191-K251 PolarHBondContact OE2-NZ 3.43Å; L193-K251 HydrophobicContact CD1-CD 4.4Å; L193-K251 HydrophobicContact CD2-CB 4.2Å; L193-K251 HydrophobicContact CD2-CD 4.02Å; L193-K251 HydrophobicContact CD2-CG 3.89Å; L243-K251 PolarHBondContact N-O 3.09Å; L243-K251 PolarHBondContact O-N 3.47Å; K251-A253 PolarHBondContact O-N 2.91Å
252	L	95.5	Very high	75.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.8	170.5	-57.7	-176.2	0	0	0	110.3	N172 V173 V174 I220 G223 L224 L237 L242 F255	N172-L252 WeakPolarHBondContact O-CG 3.35Å; N172-L252 PolarHBondContact O-N 3.41Å; V173-L252 HydrophobicContact CG2-CD1 4.49Å; V174-L252 WeakPolarHBondContact CG2-O 3.47Å; V174-L252 PolarHBondContact N-O 3.5Å; I220-L252 HydrophobicContact CG2-CD2 4.48Å; G223-L252 VanDerWaalsContact C-CD1 3.48Å; L224-L252 HydrophobicContact CD2-CD1 3.75Å; L224-L252 HydrophobicContact CG-CD1 3.92Å; L237-L252 HydrophobicContact CD2-CD2 4.16Å; L242-L252 HydrophobicContact CD2-CD2 3.4Å; L242-L252 VanDerWaalsContact CD2-CD2 3.4Å; L252-F255 HydrophobicContact CB-CE2 4.1Å; L252-F255 HydrophobicContact CB-CZ 3.8Å; L252-F255 HydrophobicContact CD1-CE1 4.44Å; L252-F255 HydrophobicContact CD1-CZ 4.13Å
253	A	90.3	Very high	72.8	Confident	10 Å²	10	49.4 Å²	49.4	8%	0.083	24%	0.238	C	C	.	.			trans	-119.1	162.4	175.9	0	0	0	0	0	110.6	V174 H234 N241 L243 K251 F255	V174-A253 HydrophobicContact CB-CB 4.41Å; V174-A253 HydrophobicContact CG2-CB 3.78Å; H234-A253 PolarHBondContact CE1-O 2.86Å; H234-A253 PolarHBondContact NE2-O 3.4Å; N241-A253 PolarHBondContact O-N 2.91Å; L243-A253 HydrophobicContact CD1-CB 3.74Å; L243-A253 HydrophobicContact CG-CB 3.71Å; K251-A253 PolarHBondContact O-N 2.91Å; A253-F255 VanDerWaalsContact C-N 3.32Å; A253-F255 PolarHBondContact O-N 2.94Å
254	D	78.9	Confident	69.9	Low	62 Å²	62	48.9 Å²	48.9	33%	0.332	24%	0.237	S	C	.	.			trans	53.9	43.2	171.1	-90.5	27.1	0	0	0	115.3	K144 N241 G256	K144-D254 IonicContact NZ-OD1 2.68Å; K144-D254 PolarHBondContact NZ-OD1 3.49Å; K144-D254 IonicContact NZ-OD2 3.99Å; K144-D254 PolarHBondContact NZ-OD2 3.4Å; N241-D254 HydrophobicContact CB-CB 4.49Å; D254-G256 PolarHBondContact O-N 3.49Å
255	F	72.3	Confident	67.2	Low	17 Å²	17	51.6 Å²	51.6	8%	0.075	25%	0.254	C	S	.	.			trans	-40.2	137.6	156	-65.6	-90.9	0	0	0	110.1	L165 L168 V173 C227 V232 H234 L252 A253 L257	L165-F255 HydrophobicContact CD2-CB 4.13Å; L165-F255 HydrophobicContact CD2-CD2 4.28Å; L165-F255 HydrophobicContact CD2-CG 4.16Å; L168-F255 HydrophobicContact CD1-CZ 4.41Å; V173-F255 HydrophobicContact CG1-CE2 3.75Å; V173-F255 HydrophobicContact CG1-CZ 3.84Å; V173-F255 HydrophobicContact CG2-CZ 4.25Å; C227-F255 HydrophobicContact CB-CE1 4.26Å; C227-F255 WeakPolarHBondContact SG-CE1 3.28Å; C227-F255 VanDerWaalsContact SG-CZ 3.59Å; V232-F255 HydrophobicContact CG1-CD1 3.79Å; V232-F255 HydrophobicContact CG1-CE1 4.07Å; H234-F255 AromaticContact CD2-CD1 3.66Å; H234-F255 AromaticContact CD2-CE1 3.65Å; L252-F255 HydrophobicContact CB-CE2 4.1Å; L252-F255 HydrophobicContact CB-CZ 3.8Å; L252-F255 HydrophobicContact CD1-CE1 4.44Å; L252-F255 HydrophobicContact CD1-CZ 4.13Å; A253-F255 VanDerWaalsContact C-N 3.32Å; A253-F255 PolarHBondContact O-N 2.94Å; F255-L257 PolarHBondContact O-N 2.96Å
256	G	58.9	Low	64.3	Low	26 Å²	26	58.4 Å²	58.4	27%	0.268	28%	0.282	S	S	.	.			trans	-63.7	62	-169.9	0	0	0	0	0	117	H234 D254 A258 R259	H234-G256 PolarHBondContact O-N 3.35Å; H234-G256 VanDerWaalsContact O-N 3.08Å; D254-G256 PolarHBondContact O-N 3.49Å; G256-A258 PolarHBondContact O-N 3.03Å; G256-A258 VanDerWaalsContact O-N 3.14Å; G256-R259 PolarHBondContact O-N 3.33Å
257	L	49.5	Very low	61.3	Low	30 Å²	30	54.7 Å²	54.7	16%	0.157	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24.1	175.2	-78.4	168	0	0	0	112.7	V162 L165 L188 F255 R259 A260	V162-L257 HydrophobicContact CG2-CD2 3.91Å; L165-L257 HydrophobicContact CD1-CD1 3.77Å; L165-L257 HydrophobicContact CD1-CD2 3.76Å; L165-L257 HydrophobicContact CD1-CG 3.91Å; L165-L257 HydrophobicContact CG-CD2 4.39Å; L188-L257 HydrophobicContact CD1-CD1 4.13Å; F255-L257 PolarHBondContact O-N 2.96Å; L257-R259 PolarHBondContact O-N 3.36Å; L257-R259 VanDerWaalsContact O-N 3.12Å; L257-A260 WeakPolarHBondContact O-CB 3.39Å; L257-A260 PolarHBondContact O-N 2.92Å
258	A	42.6	Very low	58.3	Low	24 Å²	24	52 Å²	52	20%	0.198	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-67.4	0.6	171	0	0	0	0	0	114.1	G256 T265 Y268	G256-A258 PolarHBondContact O-N 3.03Å; G256-A258 VanDerWaalsContact O-N 3.14Å; A258-T265 WeakPolarHBondContact O-CG2 3.45Å; A258-Y268 HydrophobicContact CB-CE2 3.99Å; A258-Y268 WeakPolarHBondContact CB-OH 3.34Å
259	R	42.8	Very low	55.2	Low	121 Å²	121	54.7 Å²	54.7	46%	0.457	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-106	8.6	170.6	-82.4	-175	168.1	-137.6	4.7	114.8	G256 L257 K261 Y289	G256-R259 PolarHBondContact O-N 3.33Å; L257-R259 PolarHBondContact O-N 3.36Å; L257-R259 VanDerWaalsContact O-N 3.12Å; R259-K261 PolarHBondContact O-N 3.12Å; R259-Y289 VanDerWaalsContact NH1-CD1 3.28Å; R259-Y289 VanDerWaalsContact NH1-CZ 3.3Å; R259-Y289 PolarHBondContact NH2-OH 2.95Å; R259-Y289 VanDerWaalsContact NH2-OH 3.09Å
260	A	39.2	Very low	52.2	Low	1 Å²	1	59.3 Å²	59.3	1%	0.008	31%	0.305	C	S	.	.	S	Bend	trans	-58.9	123.3	153.5	0	0	0	0	0	108.1	E161 L257 S262 V263	E161-A260 WeakPolarHBondContact OE1-CA 3.45Å; E161-A260 VanDerWaalsContact OE1-CB 3.26Å; E161-A260 WeakPolarHBondContact OE1-CB 3.38Å; E161-A260 WeakPolarHBondContact OE2-CA 3.42Å; E161-A260 VanDerWaalsContact OE2-CB 3.26Å; E161-A260 WeakPolarHBondContact OE2-CB 3.31Å; L257-A260 WeakPolarHBondContact O-CB 3.39Å; L257-A260 PolarHBondContact O-N 2.92Å; A260-S262 PolarHBondContact O-N 2.8Å; A260-V263 HydrophobicContact CB-CB 4.14Å; A260-V263 HydrophobicContact CB-CG2 3.76Å; A260-V263 PolarHBondContact O-N 2.9Å; A260-V263 VanDerWaalsContact O-N 3.1Å
261	K	30.9	Very low	49.1	Very low	216 Å²	216	67.9 Å²	67.9	94%	0.939	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-1.3	179.1	-88.1	-165.4	175	-171.1	0	115.1	R259	R259-K261 PolarHBondContact O-N 3.12Å
262	S	36.2	Very low	46.5	Very low	24 Å²	24	71.7 Å²	71.7	17%	0.168	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-9	-173.4	60.4	0	0	0	0	113.7	P155 T157 A260 P264	P155-S262 VanDerWaalsContact CG-O 3.27Å; P155-S262 WeakPolarHBondContact CG-O 3.23Å; T157-S262 WeakPolarHBondContact CB-OG 3.28Å; T157-S262 WeakPolarHBondContact OG1-CB 3.39Å; T157-S262 PolarHBondContact OG1-OG 3.25Å; A260-S262 PolarHBondContact O-N 2.8Å; S262-P264 WeakPolarHBondContact O-CD 3.27Å
263	V	40.2	Very low	44.7	Very low	32 Å²	32	73.7 Å²	73.7	19%	0.194	38%	0.382	C	S	.	.	S	Bend	trans	-74.4	123.5	162.8	167.9	0	0	0	0	105.4	A158 A260 T265	A158-V263 HydrophobicContact CB-CG2 3.86Å; A260-V263 HydrophobicContact CB-CB 4.14Å; A260-V263 HydrophobicContact CB-CG2 3.76Å; A260-V263 PolarHBondContact O-N 2.9Å; A260-V263 VanDerWaalsContact O-N 3.1Å; V263-T265 PolarHBondContact O-N 3.27Å; V263-T265 PolarHBondContact O-OG1 2.89Å
264	P	35.5	Very low	43.8	Very low	30 Å²	30	76 Å²	76	20%	0.195	40%	0.395	C	S	.	.			trans	-50.2	110.3	-176.6	-31.7	37.3	0	0	0	111.1	Y126 S262	Y126-P264 HydrophobicContact CE1-CB 4.25Å; Y126-P264 WeakPolarHBondContact CE1-O 3.1Å; Y126-P264 WeakPolarHBondContact CE2-O 3.21Å; Y126-P264 PolarHBondContact OH-O 3.46Å; Y126-P264 VanDerWaalsContact OH-O 3.08Å; S262-P264 WeakPolarHBondContact O-CD 3.27Å
265	T	40.4	Very low	44.4	Very low	58 Å²	58	73.6 Å²	73.6	36%	0.356	38%	0.382	S	S	.	.			trans	-103.2	4.8	-172.6	-4.4	0	0	0	0	111.9	A258 V263 T267 Y268	A258-T265 WeakPolarHBondContact O-CG2 3.45Å; V263-T265 PolarHBondContact O-N 3.27Å; V263-T265 PolarHBondContact O-OG1 2.89Å; T265-T267 VanDerWaalsContact C-N 3.33Å; T265-T267 PolarHBondContact O-N 3.47Å; T265-Y268 HydrophobicContact CG2-CD2 4.04Å; T265-Y268 HydrophobicContact CG2-CE2 4.01Å
266	K	32.5	Very low	45.5	Very low	169 Å²	169	76.8 Å²	76.8	74%	0.735	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.4	-160.1	-65.9	172.9	-176.9	156	0	114.6	Y126 E152	Y126-K266 PolarHBondContact OH-N 3.02Å; E152-K266 IonicContact OE1-NZ 3.73Å
267	T	28.1	Very low	47.2	Very low	80 Å²	80	76.4 Å²	76.4	49%	0.491	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	35.7	177.2	64.6	0	0	0	0	115.1	Y126 T265 S269	Y126-T267 PolarHBondContact OH-N 3.31Å; Y126-T267 PolarHBondContact OH-OG1 2.93Å; T265-T267 VanDerWaalsContact C-N 3.33Å; T265-T267 PolarHBondContact O-N 3.47Å; T267-S269 PolarHBondContact O-N 2.95Å
268	Y	27.5	Very low	49.3	Very low	117 Å²	117	78.5 Å²	78.5	46%	0.459	39%	0.39	S	S	.	.			trans	-73.2	83.2	150.5	-78.4	-63.4	0	0	0	109.8	A258 T265 N270 V273	A258-Y268 HydrophobicContact CB-CE2 3.99Å; A258-Y268 WeakPolarHBondContact CB-OH 3.34Å; T265-Y268 HydrophobicContact CG2-CD2 4.04Å; T265-Y268 HydrophobicContact CG2-CE2 4.01Å; Y268-N270 PolarHBondContact O-N 3.46Å; Y268-V273 HydrophobicContact CD1-CG2 3.36Å; Y268-V273 HydrophobicContact CE1-CG2 3.71Å; Y268-V273 HydrophobicContact CG-CG2 4.25Å
269	S	28.3	Very low	51.7	Low	60 Å²	60	77.4 Å²	77.4	42%	0.42	38%	0.381	S	S	.	.			trans	-58.8	132.1	151.8	45.8	0	0	0	0	107.7	T267 E271 V272	T267-S269 PolarHBondContact O-N 2.95Å; S269-E271 PolarHBondContact O-N 3.46Å; S269-V272 PolarHBondContact O-N 3.4Å; S269-V272 WeakPolarHBondContact OG-CG2 3.24Å
270	N	31.6	Very low	54.2	Low	147 Å²	147	71.6 Å²	71.6	79%	0.786	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-60	-19.2	-170.7	-74.2	-51.8	0	0	0	113.6	Y268 V272	Y268-N270 PolarHBondContact O-N 3.46Å; N270-V272 VanDerWaalsContact C-N 3.35Å; N270-V272 PolarHBondContact O-N 3.18Å
271	E	32.2	Very low	56.6	Low	180 Å²	180	72.2 Å²	72.2	84%	0.841	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-72.9	-19.2	-177.7	-59.2	170.8	161.1	0	0	114	S269	S269-E271 PolarHBondContact O-N 3.46Å
272	V	43.4	Very low	59.4	Low	101 Å²	101	63 Å²	63	61%	0.612	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-100.4	0.9	-172.3	-167.9	0	0	0	0	112.8	S269 N270	S269-V272 PolarHBondContact O-N 3.4Å; S269-V272 WeakPolarHBondContact OG-CG2 3.24Å; N270-V272 VanDerWaalsContact C-N 3.35Å; N270-V272 PolarHBondContact O-N 3.18Å
273	V	57.4	Low	62.1	Low	42 Å²	42	62.7 Å²	62.7	26%	0.255	32%	0.32	S	S	.	.	S	Bend	trans	-105.1	109.1	177.6	-169.3	0	0	0	0	110.6	Y268 L275 R278	Y268-V273 HydrophobicContact CD1-CG2 3.36Å; Y268-V273 HydrophobicContact CE1-CG2 3.71Å; Y268-V273 HydrophobicContact CG-CG2 4.25Å; V273-L275 WeakPolarHBondContact O-CD2 3.45Å; V273-L275 PolarHBondContact O-N 3.14Å; V273-L275 VanDerWaalsContact O-N 3.07Å; V273-R278 VanDerWaalsContact CG1-NH2 3.26Å
274	T	71.2	Confident	64.5	Low	58 Å²	58	62 Å²	62	36%	0.356	32%	0.315	S	S	.	.			trans	-50.1	114.5	177.2	-45.8	0	0	0	0	111.4	W276 Y277	T274-W276 VanDerWaalsContact C-N 3.3Å; T274-W276 HydrophobicContact CG2-CB 4.04Å; T274-W276 HydrophobicContact CG2-CD2 3.71Å; T274-W276 HydrophobicContact CG2-CE3 4.12Å; T274-W276 HydrophobicContact CG2-CG 3.66Å; T274-Y277 HydrophobicContact CG2-CD2 4.24Å; T274-Y277 HydrophobicContact CG2-CE2 3.84Å
275	L	91.1	Very high	66.7	Low	12 Å²	12	63.2 Å²	63.2	6%	0.063	33%	0.333	C	S	.	.			trans	-79	-15.6	-177.1	-58.6	-178	0	0	0	113	V273 Y277 R278 T316 V317 Q320	V273-L275 WeakPolarHBondContact O-CD2 3.45Å; V273-L275 PolarHBondContact O-N 3.14Å; V273-L275 VanDerWaalsContact O-N 3.07Å; L275-Y277 VanDerWaalsContact C-N 3.27Å; L275-Y277 PolarHBondContact O-N 3.44Å; L275-Y277 VanDerWaalsContact O-N 3.12Å; L275-R278 VanDerWaalsContact CD2-CZ 3.47Å; L275-R278 WeakPolarHBondContact O-CB 3.48Å; L275-R278 PolarHBondContact O-N 2.76Å; L275-T316 WeakPolarHBondContact CD1-O 3.38Å; L275-V317 HydrophobicContact CD1-CG2 4.37Å; L275-Q320 HydrophobicContact CB-CB 4.33Å; L275-Q320 HydrophobicContact CB-CG 4.01Å; L275-Q320 HydrophobicContact CD1-CB 4.41Å; L275-Q320 PolarHBondContact O-NE2 2.94Å
276	W	95.4	Very high	68.6	Low	84 Å²	84	61.4 Å²	61.4	32%	0.318	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.1	-160.1	-53.5	-10.3	0	0	0	114.7	T274 P310 F312 P313 G314 Q320	T274-W276 VanDerWaalsContact C-N 3.3Å; T274-W276 HydrophobicContact CG2-CB 4.04Å; T274-W276 HydrophobicContact CG2-CD2 3.71Å; T274-W276 HydrophobicContact CG2-CE3 4.12Å; T274-W276 HydrophobicContact CG2-CG 3.66Å; W276-P310 HydrophobicContact CD2-CB 4.36Å; W276-P310 HydrophobicContact CE3-CB 3.59Å; W276-P310 HydrophobicContact CE3-CG 3.87Å; W276-P310 HydrophobicContact CH2-CG 4.3Å; W276-P310 HydrophobicContact CZ3-CB 3.9Å; W276-P310 HydrophobicContact CZ3-CG 3.65Å; W276-F312 VanDerWaalsContact CA-O 3.27Å; W276-F312 WeakPolarHBondContact CA-O 3.41Å; W276-F312 WeakPolarHBondContact CB-O 3.27Å; W276-P313 VanDerWaalsContact CD1-C 3.47Å; W276-P313 VanDerWaalsContact CD1-CA 3.49Å; W276-P313 HydrophobicContact CD2-CB 4.25Å; W276-P313 HydrophobicContact CH2-CB 4.47Å; W276-P313 HydrophobicContact CZ2-CB 4.04Å; W276-P313 PolarHBondContact NE1-O 3.44Å; W276-G314 PolarHBondContact NE1-O 3.29Å; W276-Q320 PolarHBondContact O-NE2 3.39Å
277	Y	95.1	Very high	70.7	Confident	19 Å²	19	59.2 Å²	59.2	8%	0.075	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	11.2	-178.7	-40.8	-81.8	0	0	0	112.2	L237 K238 P239 T274 L275 C300 I301 E304	L237-Y277 WeakPolarHBondContact O-CB 3.32Å; L237-Y277 WeakPolarHBondContact O-CD2 3.38Å; L237-Y277 VanDerWaalsContact O-CG 3.25Å; K238-Y277 HydrophobicContact CB-CD2 3.54Å; K238-Y277 HydrophobicContact CB-CE2 3.37Å; K238-Y277 HydrophobicContact CB-CG 4.28Å; P239-Y277 VanDerWaalsContact CD-CZ 3.44Å; P239-Y277 VanDerWaalsContact CD-OH 3.24Å; P239-Y277 WeakPolarHBondContact CD-OH 3.19Å; P239-Y277 HydrophobicContact CG-CE1 4.48Å; T274-Y277 HydrophobicContact CG2-CD2 4.24Å; T274-Y277 HydrophobicContact CG2-CE2 3.84Å; L275-Y277 VanDerWaalsContact C-N 3.27Å; L275-Y277 PolarHBondContact O-N 3.44Å; L275-Y277 VanDerWaalsContact O-N 3.12Å; Y277-C300 HydrophobicContact CD1-CB 3.8Å; Y277-I301 HydrophobicContact CD1-CG1 3.93Å; Y277-I301 HydrophobicContact CE1-CG1 4.03Å; Y277-E304 WeakPolarHBondContact CE1-OE2 3.48Å; Y277-E304 PolarHBondContact OH-OE2 3.49Å; Y277-E304 VanDerWaalsContact OH-OE2 3.07Å
278	R	93.5	Very high	73	Confident	73 Å²	73	59.2 Å²	59.2	28%	0.275	32%	0.32	S	S	.	.			trans	-87.2	133.3	-178.8	-165.1	177.3	-61.7	171.9	6.5	110.9	V273 L275 I282 L283 W296	V273-R278 VanDerWaalsContact CG1-NH2 3.26Å; L275-R278 VanDerWaalsContact CD2-CZ 3.47Å; L275-R278 WeakPolarHBondContact O-CB 3.48Å; L275-R278 PolarHBondContact O-N 2.76Å; R278-I282 HydrophobicContact CG-CB 4.28Å; R278-I282 HydrophobicContact CG-CG2 4.1Å; R278-L283 HydrophobicContact CB-CD1 4.4Å; R278-L283 HydrophobicContact CB-CD2 4.4Å; R278-L283 HydrophobicContact CB-CG 4.24Å; R278-L283 HydrophobicContact CG-CD2 4.33Å; R278-L283 HydrophobicContact CG-CG 4.04Å; R278-W296 PolarHBondContact O-NE1 2.91Å
279	P	94.1	Very high	75.2	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	32%	0.315	C	S	.	.			trans	-63.7	148.7	177.2	-19.9	28.7	0	0	0	114.1	D281 I282 L283 I293 W296	P279-D281 VanDerWaalsContact C-N 3.35Å; P279-D281 WeakPolarHBondContact CB-OD1 3.29Å; P279-D281 PolarHBondContact O-N 3.07Å; P279-I282 HydrophobicContact CB-CB 4.29Å; P279-I282 HydrophobicContact CB-CG1 3.96Å; P279-I282 HydrophobicContact CG-CB 4.43Å; P279-I282 HydrophobicContact CG-CG1 3.9Å; P279-I282 PolarHBondContact O-N 3.41Å; P279-L283 WeakPolarHBondContact O-CG 3.11Å; P279-L283 PolarHBondContact O-N 3.23Å; P279-I293 HydrophobicContact CG-CB 4.33Å; P279-I293 HydrophobicContact CG-CG1 4.42Å; P279-I293 HydrophobicContact CG-CG2 4.04Å; P279-W296 HydrophobicContact CB-CB 4.25Å; P279-W296 HydrophobicContact CB-CD2 4.35Å; P279-W296 HydrophobicContact CB-CG 4.02Å; P279-W296 HydrophobicContact CG-CB 3.87Å; P279-W296 HydrophobicContact CG-CG 3.97Å
280	P	94.7	Very high	77.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-35	178.9	25.3	-33.3	0	0	0	113	L283 L284 W296 L321 I324 F325 F379	P280-L283 PolarHBondContact O-N 3.44Å; P280-L284 WeakPolarHBondContact O-CB 3.45Å; P280-L284 PolarHBondContact O-N 3.47Å; P280-W296 HydrophobicContact CG-CH2 3.89Å; P280-W296 HydrophobicContact CG-CZ2 4.36Å; P280-W296 HydrophobicContact CG-CZ3 3.98Å; P280-L321 HydrophobicContact CB-CD2 4Å; P280-I324 HydrophobicContact CB-CD1 4.27Å; P280-I324 HydrophobicContact CB-CG2 4.24Å; P280-I324 HydrophobicContact CG-CG2 4.31Å; P280-F325 HydrophobicContact CB-CE1 4.33Å; P280-F379 HydrophobicContact CB-CD1 4.4Å; P280-F379 HydrophobicContact CG-CD1 3.78Å; P280-F379 HydrophobicContact CG-CE1 4.3Å
281	D	89.9	Confident	80.5	Confident	14 Å²	14	51.2 Å²	51.2	8%	0.075	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-39.2	173.4	56.4	-52.7	0	0	0	112.1	P279 L284 G285 C286 L339 R384	P279-D281 VanDerWaalsContact C-N 3.35Å; P279-D281 WeakPolarHBondContact CB-OD1 3.29Å; P279-D281 PolarHBondContact O-N 3.07Å; D281-L284 CarbonylContact O-C 3.58Å; D281-L284 PolarHBondContact O-N 2.91Å; D281-G285 PolarHBondContact O-N 3.4Å; D281-C286 HydrophobicContact CB-CB 4.08Å; D281-C286 WeakPolarHBondContact O-CB 3.49Å; D281-C286 PolarHBondContact O-N 2.87Å; D281-L339 HydrophobicContact CB-CD1 4.13Å; D281-R384 IonicContact OD1-CZ 2.79Å; D281-R384 IonicContact OD1-NH1 2.67Å; D281-R384 PolarHBondContact OD1-NH1 3.32Å; D281-R384 IonicContact OD1-NH2 2.67Å; D281-R384 PolarHBondContact OD1-NH2 3.29Å; D281-R384 IonicContact OD2-NH1 3.19Å
282	I	89.7	Confident	83.3	Confident	23 Å²	23	44.7 Å²	44.7	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-74.2	-34.8	176.1	-56.9	-62.6	0	0	0	111.7	R278 P279 L284 G285 C286 I293	R278-I282 HydrophobicContact CG-CB 4.28Å; R278-I282 HydrophobicContact CG-CG2 4.1Å; P279-I282 HydrophobicContact CB-CB 4.29Å; P279-I282 HydrophobicContact CB-CG1 3.96Å; P279-I282 HydrophobicContact CG-CB 4.43Å; P279-I282 HydrophobicContact CG-CG1 3.9Å; P279-I282 PolarHBondContact O-N 3.41Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-G285 PolarHBondContact O-N 3.39Å; I282-C286 HydrophobicContact CD1-CB 4.31Å; I282-I293 HydrophobicContact CD1-CD1 3.56Å; I282-I293 HydrophobicContact CD1-CG1 3.97Å; I282-I293 HydrophobicContact CG1-CD1 3.9Å; I282-I293 HydrophobicContact CG1-CG1 3.94Å
283	L	91.9	Very high	85.6	Confident	17 Å²	17	40.7 Å²	40.7	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-36.8	171.6	-74.4	158.8	0	0	0	111.7	R278 P279 P280 G285 V317 Q320 L321 I324	R278-L283 HydrophobicContact CB-CD1 4.4Å; R278-L283 HydrophobicContact CB-CD2 4.4Å; R278-L283 HydrophobicContact CB-CG 4.24Å; R278-L283 HydrophobicContact CG-CD2 4.33Å; R278-L283 HydrophobicContact CG-CG 4.04Å; P279-L283 WeakPolarHBondContact O-CG 3.11Å; P279-L283 PolarHBondContact O-N 3.23Å; P280-L283 PolarHBondContact O-N 3.44Å; L283-G285 PolarHBondContact O-N 2.82Å; L283-V317 HydrophobicContact CB-CG1 4.24Å; L283-V317 HydrophobicContact CD2-CB 4.38Å; L283-V317 HydrophobicContact CD2-CG1 4Å; L283-V317 HydrophobicContact CD2-CG2 4.14Å; L283-Q320 HydrophobicContact CD1-CB 4.23Å; L283-Q320 HydrophobicContact CD1-CG 3.43Å; L283-Q320 VanDerWaalsContact CD1-CG 3.43Å; L283-Q320 HydrophobicContact CD2-CB 4.43Å; L283-Q320 HydrophobicContact CD2-CG 4.12Å; L283-Q320 HydrophobicContact CG-CG 4.46Å; L283-L321 HydrophobicContact CB-CD1 4.43Å; L283-L321 HydrophobicContact CB-CD2 3.87Å; L283-L321 HydrophobicContact CB-CG 4.17Å; L283-L321 HydrophobicContact CD1-CD2 4.17Å; L283-L321 HydrophobicContact CD1-CG 4.47Å; L283-I324 HydrophobicContact CD1-CD1 3.89Å
284	L	90.2	Very high	87.3	Confident	18 Å²	18	38.8 Å²	38.8	9%	0.094	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	25.6	173.9	-71.9	161.3	0	0	0	113.4	P280 D281 I282 C286 L321 F325 L339 K342 I343 F348	P280-L284 WeakPolarHBondContact O-CB 3.45Å; P280-L284 PolarHBondContact O-N 3.47Å; D281-L284 CarbonylContact O-C 3.58Å; D281-L284 PolarHBondContact O-N 2.91Å; I282-L284 VanDerWaalsContact C-N 3.29Å; L284-C286 PolarHBondContact O-N 3.35Å; L284-L321 HydrophobicContact CD1-CD1 4.45Å; L284-L321 HydrophobicContact CD1-CD2 4.02Å; L284-L321 HydrophobicContact CD2-CD1 3.87Å; L284-L321 HydrophobicContact CG-CD1 3.88Å; L284-L321 HydrophobicContact CG-CD2 4.07Å; L284-F325 HydrophobicContact CD1-CZ 4.02Å; L284-L339 HydrophobicContact CB-CD1 4.21Å; L284-L339 HydrophobicContact CD1-CD1 3.56Å; L284-L339 HydrophobicContact CD1-CG 4.1Å; L284-K342 HydrophobicContact CB-CB 4.14Å; L284-I343 HydrophobicContact CD1-CD1 4.17Å; L284-I343 HydrophobicContact CD1-CG1 3.6Å; L284-I343 HydrophobicContact CD2-CG1 4.17Å; L284-F348 HydrophobicContact CD2-CD2 4.23Å; L284-F348 HydrophobicContact CD2-CE2 4.4Å
285	G	83.6	Confident	88.6	Confident	55 Å²	55	36.1 Å²	36.1	57%	0.567	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	17.1	167.3	0	0	0	0	0	116.3	D281 I282 L283 T287	D281-G285 PolarHBondContact O-N 3.4Å; I282-G285 PolarHBondContact O-N 3.39Å; L283-G285 PolarHBondContact O-N 2.82Å; G285-T287 PolarHBondContact O-N 3.26Å
286	C	79.2	Confident	88.9	Confident	20 Å²	20	35.5 Å²	35.5	14%	0.135	19%	0.191	C	C	.	.			trans	-61.1	136.5	172.4	-164.3	0	0	0	0	111.4	D281 I282 L284	D281-C286 HydrophobicContact CB-CB 4.08Å; D281-C286 WeakPolarHBondContact O-CB 3.49Å; D281-C286 PolarHBondContact O-N 2.87Å; I282-C286 HydrophobicContact CD1-CB 4.31Å; L284-C286 PolarHBondContact O-N 3.35Å
287	T	76.2	Confident	89	Confident	122 Å²	122	31.6 Å²	31.6	75%	0.748	18%	0.177	S	C	*	.			trans	-100.5	-2	-177.1	51.1	0	0	0	0	113.7	G285 Y289	G285-T287 PolarHBondContact O-N 3.26Å; T287-Y289 VanDerWaalsContact O-CD2 3.26Å; T287-Y289 WeakPolarHBondContact O-CD2 3.5Å; T287-Y289 PolarHBondContact O-N 3.06Å
288	D	76.4	Confident	89.1	Confident	80 Å²	80	30.9 Å²	30.9	43%	0.428	17%	0.174	S	C	.	.			trans	-72.6	96.4	172.1	-179.6	43.3	0	0	0	110.9	S290	D288-S290 VanDerWaalsContact C-N 3.26Å; D288-S290 PolarHBondContact O-N 3.38Å; D288-S290 VanDerWaalsContact O-N 3.13Å; D288-S290 WeakPolarHBondContact OD2-CB 3.36Å; D288-S290 PolarHBondContact OD2-OG 3.49Å
289	Y	74.8	Confident	89.3	Confident	88 Å²	88	27.4 Å²	27.4	35%	0.345	16%	0.161	S	C	.	.			trans	-87.9	62.8	176.5	-75.9	-75.6	0	0	0	111.7	L233 R259 T287 I293	L233-Y289 WeakPolarHBondContact CD1-O 3.3Å; R259-Y289 VanDerWaalsContact NH1-CD1 3.28Å; R259-Y289 VanDerWaalsContact NH1-CZ 3.3Å; R259-Y289 PolarHBondContact NH2-OH 2.95Å; R259-Y289 VanDerWaalsContact NH2-OH 3.09Å; T287-Y289 VanDerWaalsContact O-CD2 3.26Å; T287-Y289 WeakPolarHBondContact O-CD2 3.5Å; T287-Y289 PolarHBondContact O-N 3.06Å; Y289-I293 HydrophobicContact CD1-CD1 3.53Å; Y289-I293 HydrophobicContact CE1-CD1 4.15Å; Y289-I293 HydrophobicContact CG-CD1 4.34Å
290	S	82.7	Confident	89.5	Confident	24 Å²	24	27.4 Å²	27.4	17%	0.168	16%	0.162	C	C	.	.			trans	-95.2	175.3	-178.7	64	0	0	0	0	114.1	D288 H292 I293	D288-S290 VanDerWaalsContact C-N 3.26Å; D288-S290 PolarHBondContact O-N 3.38Å; D288-S290 VanDerWaalsContact O-N 3.13Å; D288-S290 WeakPolarHBondContact OD2-CB 3.36Å; D288-S290 PolarHBondContact OD2-OG 3.49Å; S290-H292 PolarHBondContact O-N 3.48Å; S290-I293 PolarHBondContact O-N 3.38Å
291	T	88	Confident	89.7	Confident	44 Å²	44	27.4 Å²	27.4	27%	0.27	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	179.6	43.3	0	0	0	0	114	H228 L233 I293 D294	H228-T291 HydrophobicContact CB-CG2 3.77Å; H228-T291 PolarHBondContact CE1-O 2.95Å; L233-T291 VanDerWaalsContact CD2-CA 3.42Å; L233-T291 HydrophobicContact CD2-CG2 3.61Å; T291-I293 PolarHBondContact O-N 3.39Å; T291-D294 PolarHBondContact O-N 2.79Å
292	H	91.2	Very high	90.1	Very high	43 Å²	43	26.9 Å²	26.9	20%	0.199	16%	0.158	C	C	.	.	H	α-helix	trans	-73.8	-10.5	-178.2	-55.4	-88.1	0	0	0	113.6	S290 G381 R384	S290-H292 PolarHBondContact O-N 3.48Å; H292-G381 WeakPolarHBondContact CB-O 3.26Å; H292-G381 PolarHBondContact ND1-O 3.48Å; H292-R384 HydrophobicContact CB-CB 4.48Å; H292-R384 PolarHBondContact ND1-O 3Å; H292-R384 VanDerWaalsContact O-CD 3.23Å; H292-R384 WeakPolarHBondContact O-CD 3.46Å; H292-R384 PolarHBondContact O-NH1 3.43Å
293	I	91.1	Very high	90.5	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.087	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-46.5	169.1	-65.4	179.5	0	0	0	110.3	P279 I282 Y289 S290 T291 M295 W296	P279-I293 HydrophobicContact CG-CB 4.33Å; P279-I293 HydrophobicContact CG-CG1 4.42Å; P279-I293 HydrophobicContact CG-CG2 4.04Å; I282-I293 HydrophobicContact CD1-CD1 3.56Å; I282-I293 HydrophobicContact CD1-CG1 3.97Å; I282-I293 HydrophobicContact CG1-CD1 3.9Å; I282-I293 HydrophobicContact CG1-CG1 3.94Å; Y289-I293 HydrophobicContact CD1-CD1 3.53Å; Y289-I293 HydrophobicContact CE1-CD1 4.15Å; Y289-I293 HydrophobicContact CG-CD1 4.34Å; S290-I293 PolarHBondContact O-N 3.38Å; T291-I293 PolarHBondContact O-N 3.39Å; I293-M295 VanDerWaalsContact C-N 3.29Å; I293-M295 PolarHBondContact O-N 3.24Å; I293-W296 PolarHBondContact O-N 3.2Å
294	D	94	Very high	90.8	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-37.2	-178.2	-64.7	-21.3	0	0	0	110.8	L224 H228 H234 R235 L237 T291 W296 G297 V298	L224-D294 HydrophobicContact CD1-CB 4.43Å; L224-D294 HydrophobicContact CD2-CB 4.11Å; H228-D294 IonicContact CD2-OD2 3.9Å; H228-D294 IonicContact CE1-OD2 2.71Å; H228-D294 IonicContact NE2-OD2 2.73Å; H228-D294 PolarHBondContact NE2-OD2 3.1Å; H234-D294 WeakPolarHBondContact CB-OD1 3.46Å; H234-D294 PolarHBondContact N-OD1 2.96Å; H234-D294 PolarHBondContact N-OD2 3.24Å; R235-D294 PolarHBondContact N-OD1 3.31Å; L237-D294 HydrophobicContact CD1-CB 3.76Å; L237-D294 VanDerWaalsContact CD1-O 3.27Å; L237-D294 WeakPolarHBondContact CD1-O 3.35Å; T291-D294 PolarHBondContact O-N 2.79Å; D294-W296 VanDerWaalsContact C-N 3.34Å; D294-W296 PolarHBondContact O-N 3.21Å; D294-G297 WeakPolarHBondContact O-CA 3.17Å; D294-G297 PolarHBondContact O-N 3.46Å; D294-V298 PolarHBondContact O-N 2.64Å
295	M	97.9	Very high	91.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-35	-177.8	-54.9	-45.2	-52.3	0	0	113.8	L221 I293 G297 V298 G299 L376 R384 I385 A387	L221-M295 HydrophobicContact CD2-CE 3.59Å; I293-M295 VanDerWaalsContact C-N 3.29Å; I293-M295 PolarHBondContact O-N 3.24Å; M295-G297 VanDerWaalsContact C-N 3.33Å; M295-V298 HydrophobicContact CE-CG2 4.33Å; M295-V298 WeakPolarHBondContact O-CB 3.48Å; M295-V298 PolarHBondContact O-N 3.33Å; M295-G299 PolarHBondContact O-N 2.92Å; M295-G299 VanDerWaalsContact O-N 3.09Å; M295-L376 HydrophobicContact CB-CD2 4.26Å; M295-L376 HydrophobicContact CE-CD2 3.63Å; M295-R384 HydrophobicContact CB-CB 4.2Å; M295-I385 WeakPolarHBondContact CE-O 3.49Å; M295-I385 WeakPolarHBondContact CG-O 3.46Å; M295-A387 HydrophobicContact CE-CB 3.98Å; M295-A387 HydrophobicContact SD-CB 3.8Å
296	W	97.6	Very high	91.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-41.3	171.9	176.3	-85.1	0	0	0	111.5	R278 P279 P280 I293 D294 V298 G299 C300 F312 I324 L328 L377	R278-W296 PolarHBondContact O-NE1 2.91Å; P279-W296 HydrophobicContact CB-CB 4.25Å; P279-W296 HydrophobicContact CB-CD2 4.35Å; P279-W296 HydrophobicContact CB-CG 4.02Å; P279-W296 HydrophobicContact CG-CB 3.87Å; P279-W296 HydrophobicContact CG-CG 3.97Å; P280-W296 HydrophobicContact CG-CH2 3.89Å; P280-W296 HydrophobicContact CG-CZ2 4.36Å; P280-W296 HydrophobicContact CG-CZ3 3.98Å; I293-W296 PolarHBondContact O-N 3.2Å; D294-W296 VanDerWaalsContact C-N 3.34Å; D294-W296 PolarHBondContact O-N 3.21Å; W296-V298 VanDerWaalsContact C-N 3.32Å; W296-V298 PolarHBondContact O-N 2.93Å; W296-G299 PolarHBondContact O-N 3.39Å; W296-G299 VanDerWaalsContact O-N 3.16Å; W296-C300 PolarHBondContact NE1-SG 3.15Å; W296-C300 VanDerWaalsContact NE1-SG 3.39Å; W296-C300 PolarHBondContact O-N 3.04Å; W296-C300 PolarHBondContact O-SG 3.37Å; W296-F312 HydrophobicContact CH2-CE2 4.26Å; W296-F312 HydrophobicContact CZ2-CD2 4.1Å; W296-F312 AromaticContact CZ2-CE2 3.69Å; W296-F312 HydrophobicContact CZ2-CE2 3.69Å; W296-I324 HydrophobicContact CH2-CD1 4.5Å; W296-I324 HydrophobicContact CH2-CG1 4.49Å; W296-I324 HydrophobicContact CH2-CG2 3.77Å; W296-I324 HydrophobicContact CZ2-CD1 3.81Å; W296-I324 HydrophobicContact CZ2-CG1 3.98Å; W296-I324 HydrophobicContact CZ2-CG2 4.11Å; W296-L328 HydrophobicContact CH2-CD1 3.66Å; W296-L328 HydrophobicContact CZ3-CD1 4.06Å; W296-L377 HydrophobicContact CD2-CD2 3.85Å; W296-L377 HydrophobicContact CE3-CB 4.42Å; W296-L377 HydrophobicContact CE3-CD2 3.86Å; W296-L377 HydrophobicContact CG-CD2 4.42Å; W296-L377 HydrophobicContact CH2-CD2 4.2Å; W296-L377 HydrophobicContact CZ2-CD2 4.19Å; W296-L377 HydrophobicContact CZ3-CB 4.09Å; W296-L377 HydrophobicContact CZ3-CD2 4.05Å; W296-L377 WeakPolarHBondContact CZ3-O 3.27Å
297	G	96.4	Very high	92.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-41.4	173.7	0	0	0	0	0	112.2	D294 M295 G299 C300 I301	D294-G297 WeakPolarHBondContact O-CA 3.17Å; D294-G297 PolarHBondContact O-N 3.46Å; M295-G297 VanDerWaalsContact C-N 3.33Å; G297-G299 PolarHBondContact O-N 2.99Å; G297-C300 PolarHBondContact O-N 2.93Å; G297-I301 WeakPolarHBondContact O-CB 3.46Å; G297-I301 VanDerWaalsContact O-CG1 3.24Å; G297-I301 WeakPolarHBondContact O-CG1 3.25Å; G297-I301 PolarHBondContact O-N 2.96Å
298	V	98.4	Very high	93.7	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.024	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-43	173	-175.5	0	0	0	0	111.6	I220 L221 L224 L237 D294 M295 W296 I301 L302 L376	I220-V298 HydrophobicContact CG2-CG1 4.28Å; I220-V298 HydrophobicContact CG2-CG2 3.85Å; L221-V298 HydrophobicContact CD2-CG1 4.06Å; L221-V298 HydrophobicContact CG-CG1 4.37Å; L224-V298 HydrophobicContact CD1-CG2 3.27Å; L237-V298 HydrophobicContact CD1-CG2 4.2Å; D294-V298 PolarHBondContact O-N 2.64Å; M295-V298 HydrophobicContact CE-CG2 4.33Å; M295-V298 WeakPolarHBondContact O-CB 3.48Å; M295-V298 PolarHBondContact O-N 3.33Å; W296-V298 VanDerWaalsContact C-N 3.32Å; W296-V298 PolarHBondContact O-N 2.93Å; V298-I301 PolarHBondContact O-N 3.17Å; V298-L302 VanDerWaalsContact O-CB 3.3Å; V298-L302 WeakPolarHBondContact O-CB 3.39Å; V298-L302 PolarHBondContact O-N 2.9Å; V298-L376 HydrophobicContact CB-CD2 4.33Å; V298-L376 HydrophobicContact CG1-CD1 4.12Å; V298-L376 HydrophobicContact CG1-CD2 4.44Å
299	G	98.3	Very high	94.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-43.9	176	0	0	0	0	0	112.8	M295 W296 G297 L302 Y303 L373	M295-G299 PolarHBondContact O-N 2.92Å; M295-G299 VanDerWaalsContact O-N 3.09Å; W296-G299 PolarHBondContact O-N 3.39Å; W296-G299 VanDerWaalsContact O-N 3.16Å; G297-G299 PolarHBondContact O-N 2.99Å; G299-L302 PolarHBondContact O-N 3.3Å; G299-Y303 PolarHBondContact O-N 3.16Å; G299-Y303 VanDerWaalsContact O-N 3.08Å; G299-L373 WeakPolarHBondContact O-CD1 3.43Å
300	C	98.3	Very high	95.6	Very high	2 Å²	2	17 Å²	17	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-41.4	176.7	-63.5	0	0	0	0	112.3	Y277 W296 G297 Y303 E304	Y277-C300 HydrophobicContact CD1-CB 3.8Å; W296-C300 PolarHBondContact NE1-SG 3.15Å; W296-C300 VanDerWaalsContact NE1-SG 3.39Å; W296-C300 PolarHBondContact O-N 3.04Å; W296-C300 PolarHBondContact O-SG 3.37Å; G297-C300 PolarHBondContact O-N 2.93Å; C300-Y303 PolarHBondContact O-N 3.02Å; C300-E304 PolarHBondContact O-N 3.46Å; C300-E304 VanDerWaalsContact O-N 3.07Å
301	I	98.2	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.5	-36.6	179.2	-66.8	167.3	0	0	0	111.3	L197 I220 L237 P239 L242 Y277 G297 V298 Y303 E304 M305	L197-I301 HydrophobicContact CD2-CG2 3.71Å; I220-I301 HydrophobicContact CD1-CG2 4.17Å; L237-I301 HydrophobicContact CB-CD1 4.13Å; P239-I301 HydrophobicContact CG-CG1 4.42Å; L242-I301 HydrophobicContact CD1-CD1 3.91Å; L242-I301 HydrophobicContact CD1-CG2 3.87Å; Y277-I301 HydrophobicContact CD1-CG1 3.93Å; Y277-I301 HydrophobicContact CE1-CG1 4.03Å; G297-I301 WeakPolarHBondContact O-CB 3.46Å; G297-I301 VanDerWaalsContact O-CG1 3.24Å; G297-I301 WeakPolarHBondContact O-CG1 3.25Å; G297-I301 PolarHBondContact O-N 2.96Å; V298-I301 PolarHBondContact O-N 3.17Å; I301-Y303 VanDerWaalsContact C-N 3.34Å; I301-E304 PolarHBondContact O-N 3.02Å; I301-M305 HydrophobicContact CG2-CE 4.31Å; I301-M305 HydrophobicContact CG2-CG 4.38Å; I301-M305 HydrophobicContact CG2-SD 4.49Å; I301-M305 WeakPolarHBondContact O-CG 3.33Å; I301-M305 PolarHBondContact O-N 2.91Å
302	L	98.6	Very high	96.7	Very high	2 Å²	2	15 Å²	15	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-58.8	-47.3	171.9	177.2	60.5	0	0	0	110.4	I213 A217 V298 G299 E304 M305 V306 L372 L373 L376 F395	I213-L302 HydrophobicContact CG2-CD1 3.98Å; A217-L302 HydrophobicContact CB-CD1 4.16Å; V298-L302 VanDerWaalsContact O-CB 3.3Å; V298-L302 WeakPolarHBondContact O-CB 3.39Å; V298-L302 PolarHBondContact O-N 2.9Å; G299-L302 PolarHBondContact O-N 3.3Å; L302-E304 VanDerWaalsContact C-N 3.32Å; L302-E304 PolarHBondContact O-N 2.92Å; L302-M305 HydrophobicContact CD1-CE 4.4Å; L302-M305 PolarHBondContact O-N 3.44Å; L302-V306 HydrophobicContact CD1-CG2 4.33Å; L302-V306 WeakPolarHBondContact O-CB 3.35Å; L302-V306 WeakPolarHBondContact O-CG2 3.18Å; L302-V306 PolarHBondContact O-N 3.44Å; L302-V306 VanDerWaalsContact O-N 3.1Å; L302-L372 HydrophobicContact CD2-CD2 4.16Å; L302-L372 HydrophobicContact CD2-CG 4.29Å; L302-L373 HydrophobicContact CD2-CB 4.46Å; L302-L373 HydrophobicContact CD2-CD1 4.45Å; L302-L376 HydrophobicContact CD2-CD1 4.15Å; L302-F395 HydrophobicContact CD1-CE1 4.2Å; L302-F395 HydrophobicContact CD1-CZ 4.38Å
303	Y	98.5	Very high	97	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.035	8%	0.08	C	C	.	.	H	α-helix	trans	-58.9	-42.4	174.7	178.3	-87	0	0	0	112.7	G299 C300 I301 V306 T307 R309 F311 H361 A362 L373	G299-Y303 PolarHBondContact O-N 3.16Å; G299-Y303 VanDerWaalsContact O-N 3.08Å; C300-Y303 PolarHBondContact O-N 3.02Å; I301-Y303 VanDerWaalsContact C-N 3.34Å; Y303-V306 PolarHBondContact O-N 3.48Å; Y303-T307 HydrophobicContact CD1-CG2 4.47Å; Y303-T307 WeakPolarHBondContact CD1-OG1 3.44Å; Y303-T307 HydrophobicContact CD2-CG2 4.14Å; Y303-T307 HydrophobicContact CE1-CG2 4.11Å; Y303-T307 WeakPolarHBondContact CE1-OG1 3.38Å; Y303-T307 HydrophobicContact CE2-CG2 3.69Å; Y303-T307 WeakPolarHBondContact O-CB 3.42Å; Y303-T307 WeakPolarHBondContact O-CG2 3.18Å; Y303-T307 PolarHBondContact O-N 2.88Å; Y303-T307 PolarHBondContact O-OG1 3.28Å; Y303-R309 HydrophobicContact CE1-CG 4.39Å; Y303-R309 PolarHBondContact OH-NH2 3.39Å; Y303-F311 HydrophobicContact CD1-CB 3.31Å; Y303-F311 AromaticContact CD1-CD1 3.93Å; Y303-F311 HydrophobicContact CD1-CD1 3.93Å; Y303-F311 HydrophobicContact CD1-CD2 4.08Å; Y303-F311 AromaticContact CD1-CG 3.52Å; Y303-F311 HydrophobicContact CD1-CG 3.52Å; Y303-F311 AromaticContact CD2-CD1 3.67Å; Y303-F311 HydrophobicContact CD2-CD1 3.67Å; Y303-F311 HydrophobicContact CD2-CD2 4.21Å; Y303-F311 AromaticContact CD2-CE1 3.78Å; Y303-F311 HydrophobicContact CD2-CE1 3.78Å; Y303-F311 HydrophobicContact CD2-CE2 4.32Å; Y303-F311 AromaticContact CD2-CG 3.91Å; Y303-F311 HydrophobicContact CD2-CG 3.91Å; Y303-F311 HydrophobicContact CD2-CZ 4.12Å; Y303-F311 HydrophobicContact CE1-CB 3.73Å; Y303-F311 HydrophobicContact CE1-CD1 4.47Å; Y303-F311 AromaticContact CE1-CD2 3.82Å; Y303-F311 HydrophobicContact CE1-CD2 3.82Å; Y303-F311 AromaticContact CE1-CG 3.76Å; Y303-F311 HydrophobicContact CE1-CG 3.76Å; Y303-F311 HydrophobicContact CE2-CD1 4.28Å; Y303-F311 AromaticContact CE2-CD2 4Å; Y303-F311 HydrophobicContact CE2-CD2 4Å; Y303-F311 HydrophobicContact CE2-CE1 4.26Å; Y303-F311 AromaticContact CE2-CE2 4Å; Y303-F311 HydrophobicContact CE2-CE2 4Å; Y303-F311 HydrophobicContact CE2-CG 4.16Å; Y303-F311 HydrophobicContact CE2-CZ 4.13Å; Y303-F311 HydrophobicContact CG-CB 3.78Å; Y303-F311 AromaticContact CG-CD1 3.47Å; Y303-F311 HydrophobicContact CG-CD1 3.47Å; Y303-F311 VanDerWaalsContact CG-CD1 3.47Å; Y303-F311 HydrophobicContact CG-CD2 4.24Å; Y303-F311 HydrophobicContact CG-CE1 4.07Å; Y303-F311 AromaticContact CG-CG 3.58Å; Y303-F311 HydrophobicContact CG-CG 3.58Å; Y303-F311 AromaticContact CZ-CD2 3.78Å; Y303-H361 HydrophobicContact CE2-CB 3.64Å; Y303-H361 WeakPolarHBondContact CE2-O 3Å; Y303-H361 PolarHBondContact OH-O 2.95Å; Y303-A362 HydrophobicContact CD2-CB 3.95Å; Y303-A362 HydrophobicContact CE2-CB 3.91Å; Y303-L373 HydrophobicContact CD2-CD2 4.37Å
304	E	98	Very high	97.2	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.014	8%	0.077	C	C	.	.	H	α-helix	trans	-67.5	-43.8	-178.8	-174.8	166.8	171.8	0	0	112.5	M201 Y277 C300 I301 L302 V306 T307 G308 R309	M201-E304 HydrophobicContact CE-CG 3.86Å; M201-E304 HydrophobicContact SD-CG 4.11Å; Y277-E304 WeakPolarHBondContact CE1-OE2 3.48Å; Y277-E304 PolarHBondContact OH-OE2 3.49Å; Y277-E304 VanDerWaalsContact OH-OE2 3.07Å; C300-E304 PolarHBondContact O-N 3.46Å; C300-E304 VanDerWaalsContact O-N 3.07Å; I301-E304 PolarHBondContact O-N 3.02Å; L302-E304 VanDerWaalsContact C-N 3.32Å; L302-E304 PolarHBondContact O-N 2.92Å; E304-V306 VanDerWaalsContact C-N 3.25Å; E304-V306 PolarHBondContact O-N 3.37Å; E304-T307 PolarHBondContact O-N 3.18Å; E304-G308 WeakPolarHBondContact O-CA 3.26Å; E304-G308 PolarHBondContact O-N 3.12Å; E304-R309 WeakPolarHBondContact CA-O 3.48Å
305	M	98.3	Very high	97	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-60.2	-34.8	172.9	-69.5	-171	-62.3	0	0	112.7	L197 M201 I213 F216 A217 I220 I301 L302	L197-M305 HydrophobicContact CD1-CG 4.11Å; L197-M305 HydrophobicContact CD1-SD 3.99Å; L197-M305 HydrophobicContact CD2-CG 3.88Å; L197-M305 HydrophobicContact CD2-SD 3.81Å; L197-M305 HydrophobicContact CG-CG 4.44Å; M201-M305 HydrophobicContact SD-CB 4.5Å; M201-M305 HydrophobicContact SD-CG 4.09Å; I213-M305 WeakPolarHBondContact CD1-O 3.37Å; I213-M305 HydrophobicContact CG1-CB 4.21Å; I213-M305 HydrophobicContact CG2-CB 4.34Å; F216-M305 HydrophobicContact CB-CE 4.42Å; F216-M305 HydrophobicContact CB-SD 3.75Å; F216-M305 HydrophobicContact CD2-SD 4.34Å; A217-M305 HydrophobicContact CB-CE 4.15Å; I220-M305 HydrophobicContact CD1-CE 4.22Å; I301-M305 HydrophobicContact CG2-CE 4.31Å; I301-M305 HydrophobicContact CG2-CG 4.38Å; I301-M305 HydrophobicContact CG2-SD 4.49Å; I301-M305 WeakPolarHBondContact O-CG 3.33Å; I301-M305 PolarHBondContact O-N 2.91Å; L302-M305 HydrophobicContact CD1-CE 4.4Å; L302-M305 PolarHBondContact O-N 3.44Å
306	V	98	Very high	96.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-73.6	-40.5	178.8	171.2	0	0	0	0	112.5	M210 I213 L302 Y303 E304 A362 R364 L365	M210-V306 HydrophobicContact CE-CG2 4.4Å; I213-V306 HydrophobicContact CD1-CG2 4.31Å; I213-V306 HydrophobicContact CG2-CG2 3.94Å; L302-V306 HydrophobicContact CD1-CG2 4.33Å; L302-V306 WeakPolarHBondContact O-CB 3.35Å; L302-V306 WeakPolarHBondContact O-CG2 3.18Å; L302-V306 PolarHBondContact O-N 3.44Å; L302-V306 VanDerWaalsContact O-N 3.1Å; Y303-V306 PolarHBondContact O-N 3.48Å; E304-V306 VanDerWaalsContact C-N 3.25Å; E304-V306 PolarHBondContact O-N 3.37Å; V306-A362 HydrophobicContact CG1-CB 4.15Å; V306-R364 HydrophobicContact CG1-CB 3.98Å; V306-R364 WeakPolarHBondContact O-CD 3.05Å; V306-R364 PolarHBondContact O-NH1 2.95Å; V306-L365 HydrophobicContact CG1-CD1 4.39Å; V306-L365 HydrophobicContact CG1-CG 4Å; V306-L365 HydrophobicContact CG2-CD1 4.27Å; V306-L365 HydrophobicContact CG2-CD2 3.79Å; V306-L365 HydrophobicContact CG2-CG 3.97Å
307	T	96.8	Very high	96.6	Very high	25 Å²	25	30.5 Å²	30.5	15%	0.153	15%	0.15	C	C	.	.	H	α-helix	trans	-111.8	-5.8	-165.9	64.9	0	0	0	0	115	Y303 E304 R309 A362	Y303-T307 HydrophobicContact CD1-CG2 4.47Å; Y303-T307 WeakPolarHBondContact CD1-OG1 3.44Å; Y303-T307 HydrophobicContact CD2-CG2 4.14Å; Y303-T307 HydrophobicContact CE1-CG2 4.11Å; Y303-T307 WeakPolarHBondContact CE1-OG1 3.38Å; Y303-T307 HydrophobicContact CE2-CG2 3.69Å; Y303-T307 WeakPolarHBondContact O-CB 3.42Å; Y303-T307 WeakPolarHBondContact O-CG2 3.18Å; Y303-T307 PolarHBondContact O-N 2.88Å; Y303-T307 PolarHBondContact O-OG1 3.28Å; E304-T307 PolarHBondContact O-N 3.18Å; T307-R309 VanDerWaalsContact C-N 3.25Å; T307-R309 PolarHBondContact O-N 3.2Å; T307-R309 PolarHBondContact OG1-O 3.28Å; T307-A362 HydrophobicContact CG2-CB 4.04Å
308	G	96	Very high	96.5	Very high	16 Å²	16	33.1 Å²	33.1	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	75	9.1	-179.2	0	0	0	0	0	114.9	N206 E304	N206-G308 WeakPolarHBondContact O-CA 3.31Å; N206-G308 PolarHBondContact OD1-O 2.9Å; E304-G308 WeakPolarHBondContact O-CA 3.26Å; E304-G308 PolarHBondContact O-N 3.12Å
309	R	95.2	Very high	96.4	Very high	130 Å²	130	36.2 Å²	36.2	49%	0.491	18%	0.178	S	C	.	.	S	Bend	trans	-148.7	145.9	-174.2	61.3	177.7	-177.2	-90.7	-8.7	112.5	Y303 E304 T307 H361	Y303-R309 HydrophobicContact CE1-CG 4.39Å; Y303-R309 PolarHBondContact OH-NH2 3.39Å; E304-R309 WeakPolarHBondContact CA-O 3.48Å; T307-R309 VanDerWaalsContact C-N 3.25Å; T307-R309 PolarHBondContact O-N 3.2Å; T307-R309 PolarHBondContact OG1-O 3.28Å; R309-H361 PolarHBondContact NH2-O 3.49Å
310	P	96.3	Very high	96.3	Very high	30 Å²	30	36.2 Å²	36.2	20%	0.195	18%	0.178	C	C	.	.			trans	-60.3	141.2	174.3	26.9	-37.4	0	0	0	111.2	W276 P313	W276-P310 HydrophobicContact CD2-CB 4.36Å; W276-P310 HydrophobicContact CE3-CB 3.59Å; W276-P310 HydrophobicContact CE3-CG 3.87Å; W276-P310 HydrophobicContact CH2-CG 4.3Å; W276-P310 HydrophobicContact CZ3-CB 3.9Å; W276-P310 HydrophobicContact CZ3-CG 3.65Å; P310-P313 HydrophobicContact CB-CB 4.4Å; P310-P313 HydrophobicContact CG-CB 3.95Å
311	F	97.1	Very high	96.2	Very high	23 Å²	23	36.1 Å²	36.1	10%	0.101	18%	0.177	C	C	.	.	S	Bend	trans	-70.7	-46.8	-178.6	-155.4	168.8	0	0	0	112	Y303 P313 A327 F358 H361 L377	Y303-F311 HydrophobicContact CD1-CB 3.31Å; Y303-F311 AromaticContact CD1-CD1 3.93Å; Y303-F311 HydrophobicContact CD1-CD1 3.93Å; Y303-F311 HydrophobicContact CD1-CD2 4.08Å; Y303-F311 AromaticContact CD1-CG 3.52Å; Y303-F311 HydrophobicContact CD1-CG 3.52Å; Y303-F311 AromaticContact CD2-CD1 3.67Å; Y303-F311 HydrophobicContact CD2-CD1 3.67Å; Y303-F311 HydrophobicContact CD2-CD2 4.21Å; Y303-F311 AromaticContact CD2-CE1 3.78Å; Y303-F311 HydrophobicContact CD2-CE1 3.78Å; Y303-F311 HydrophobicContact CD2-CE2 4.32Å; Y303-F311 AromaticContact CD2-CG 3.91Å; Y303-F311 HydrophobicContact CD2-CG 3.91Å; Y303-F311 HydrophobicContact CD2-CZ 4.12Å; Y303-F311 HydrophobicContact CE1-CB 3.73Å; Y303-F311 HydrophobicContact CE1-CD1 4.47Å; Y303-F311 AromaticContact CE1-CD2 3.82Å; Y303-F311 HydrophobicContact CE1-CD2 3.82Å; Y303-F311 AromaticContact CE1-CG 3.76Å; Y303-F311 HydrophobicContact CE1-CG 3.76Å; Y303-F311 HydrophobicContact CE2-CD1 4.28Å; Y303-F311 AromaticContact CE2-CD2 4Å; Y303-F311 HydrophobicContact CE2-CD2 4Å; Y303-F311 HydrophobicContact CE2-CE1 4.26Å; Y303-F311 AromaticContact CE2-CE2 4Å; Y303-F311 HydrophobicContact CE2-CE2 4Å; Y303-F311 HydrophobicContact CE2-CG 4.16Å; Y303-F311 HydrophobicContact CE2-CZ 4.13Å; Y303-F311 HydrophobicContact CG-CB 3.78Å; Y303-F311 AromaticContact CG-CD1 3.47Å; Y303-F311 HydrophobicContact CG-CD1 3.47Å; Y303-F311 VanDerWaalsContact CG-CD1 3.47Å; Y303-F311 HydrophobicContact CG-CD2 4.24Å; Y303-F311 HydrophobicContact CG-CE1 4.07Å; Y303-F311 AromaticContact CG-CG 3.58Å; Y303-F311 HydrophobicContact CG-CG 3.58Å; Y303-F311 AromaticContact CZ-CD2 3.78Å; F311-P313 VanDerWaalsContact C-CD 3.49Å; F311-P313 WeakPolarHBondContact O-CD 3.48Å; F311-A327 HydrophobicContact CE2-CB 3.99Å; F311-A327 HydrophobicContact CZ-CB 4.15Å; F311-F358 HydrophobicContact CE1-CD1 4.29Å; F311-F358 AromaticContact CE1-CE1 3.96Å; F311-F358 HydrophobicContact CE1-CE1 3.96Å; F311-F358 HydrophobicContact CZ-CD1 4.22Å; F311-F358 HydrophobicContact CZ-CE1 4.11Å; F311-H361 HydrophobicContact CE2-CB 4.14Å; F311-H361 AromaticContact CE2-CD2 3.89Å; F311-H361 HydrophobicContact CZ-CB 4.23Å; F311-H361 AromaticContact CZ-CD2 3.76Å; F311-L377 HydrophobicContact CD1-CD1 3.88Å; F311-L377 HydrophobicContact CE1-CD1 3.58Å
312	F	97.2	Very high	96.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.187	C	C	.	.			trans	-125	73.6	-172.3	-50.4	-56.3	0	0	0	110.7	W276 W296 G314 Q320 L323 I324 A327	W276-F312 VanDerWaalsContact CA-O 3.27Å; W276-F312 WeakPolarHBondContact CA-O 3.41Å; W276-F312 WeakPolarHBondContact CB-O 3.27Å; W296-F312 HydrophobicContact CH2-CE2 4.26Å; W296-F312 HydrophobicContact CZ2-CD2 4.1Å; W296-F312 AromaticContact CZ2-CE2 3.69Å; W296-F312 HydrophobicContact CZ2-CE2 3.69Å; F312-G314 PolarHBondContact O-N 3.31Å; F312-Q320 PolarHBondContact O-NE2 3.29Å; F312-Q320 PolarHBondContact O-OE1 3.04Å; F312-L323 HydrophobicContact CB-CB 4.33Å; F312-L323 HydrophobicContact CD1-CB 4.21Å; F312-I324 HydrophobicContact CB-CG1 4.19Å; F312-I324 HydrophobicContact CD1-CG1 3.93Å; F312-I324 HydrophobicContact CD2-CG1 3.79Å; F312-I324 HydrophobicContact CE1-CG1 4.24Å; F312-I324 HydrophobicContact CE2-CG1 4.1Å; F312-I324 HydrophobicContact CG-CG1 3.7Å; F312-I324 HydrophobicContact CZ-CG1 4.31Å; F312-A327 HydrophobicContact CE1-CB 3.95Å
313	P	95.8	Very high	96.1	Very high	51 Å²	51	40.7 Å²	40.7	33%	0.331	20%	0.2	S	C	.	.			trans	-79.2	45.3	-173.5	33.3	-37.8	0	0	0	114.9	W276 P310 F311 L323	W276-P313 VanDerWaalsContact CD1-C 3.47Å; W276-P313 VanDerWaalsContact CD1-CA 3.49Å; W276-P313 HydrophobicContact CD2-CB 4.25Å; W276-P313 HydrophobicContact CH2-CB 4.47Å; W276-P313 HydrophobicContact CZ2-CB 4.04Å; W276-P313 PolarHBondContact NE1-O 3.44Å; P310-P313 HydrophobicContact CB-CB 4.4Å; P310-P313 HydrophobicContact CG-CB 3.95Å; F311-P313 VanDerWaalsContact C-CD 3.49Å; F311-P313 WeakPolarHBondContact O-CD 3.48Å; P313-L323 HydrophobicContact CG-CD1 4.48Å
314	G	95.2	Very high	96	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.198	C	C	.	.			trans	-70.8	145	-177.4	0	0	0	0	0	114	W276 F312 Q320	W276-G314 PolarHBondContact NE1-O 3.29Å; F312-G314 PolarHBondContact O-N 3.31Å; G314-Q320 VanDerWaalsContact CA-OE1 3.24Å
315	R	91.9	Very high	96	Very high	214 Å²	214	40.1 Å²	40.1	81%	0.808	20%	0.198	S	C	*	.	S	Bend	trans	-98.4	-30.6	178.5	-49.8	170.8	-175.1	-164.6	-0.7	111.7	E319	R315-E319 WeakPolarHBondContact CA-OE2 3.28Å; R315-E319 WeakPolarHBondContact CB-OE2 3.49Å; R315-E319 VanDerWaalsContact CG-OE2 3.32Å; R315-E319 WeakPolarHBondContact CG-OE2 3.46Å; R315-E319 PolarHBondContact N-OE2 2.95Å
316	T	93	Very high	95.9	Very high	73 Å²	73	46.9 Å²	46.9	45%	0.448	22%	0.223	S	C	.	.	S	Bend	trans	-116	163.6	174.7	72.9	0	0	0	0	111	L275 D318 E319 Q320	L275-T316 WeakPolarHBondContact CD1-O 3.38Å; T316-D318 VanDerWaalsContact C-N 3.25Å; T316-D318 PolarHBondContact O-N 3.37Å; T316-E319 PolarHBondContact O-N 3.29Å; T316-E319 WeakPolarHBondContact OG1-CB 3.24Å; T316-E319 PolarHBondContact OG1-N 2.97Å; T316-Q320 VanDerWaalsContact O-CB 3.23Å; T316-Q320 WeakPolarHBondContact O-CB 3.12Å; T316-Q320 PolarHBondContact O-N 3.17Å
317	V	93.1	Very high	95.8	Very high	50 Å²	50	47.1 Å²	47.1	30%	0.303	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-38.6	175.1	174.4	0	0	0	0	111.3	L275 L283 L321 F348	L275-V317 HydrophobicContact CD1-CG2 4.37Å; L283-V317 HydrophobicContact CB-CG1 4.24Å; L283-V317 HydrophobicContact CD2-CB 4.38Å; L283-V317 HydrophobicContact CD2-CG1 4Å; L283-V317 HydrophobicContact CD2-CG2 4.14Å; V317-L321 HydrophobicContact CG1-CD1 4.02Å; V317-L321 WeakPolarHBondContact O-CB 3.25Å; V317-L321 VanDerWaalsContact O-CG 3.28Å; V317-L321 WeakPolarHBondContact O-CG 3.48Å; V317-L321 PolarHBondContact O-N 2.81Å; V317-F348 HydrophobicContact CB-CZ 4.35Å; V317-F348 HydrophobicContact CG1-CE2 4.07Å; V317-F348 HydrophobicContact CG1-CZ 3.85Å
318	D	94.9	Very high	95.7	Very high	56 Å²	56	47.1 Å²	47.1	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-48.3	177.5	-178.6	52.8	0	0	0	112.4	T316 Q320 L321 H322 F348	T316-D318 VanDerWaalsContact C-N 3.25Å; T316-D318 PolarHBondContact O-N 3.37Å; D318-Q320 VanDerWaalsContact C-N 3.33Å; D318-Q320 PolarHBondContact O-N 3.41Å; D318-L321 PolarHBondContact O-N 3.48Å; D318-H322 WeakPolarHBondContact O-CB 3.47Å; D318-H322 PolarHBondContact O-N 2.9Å; D318-H322 PolarHBondContact O-ND1 3.09Å; D318-H322 IonicContact OD1-CE1 3.91Å; D318-H322 PolarHBondContact OD1-CE1 2.79Å; D318-H322 IonicContact OD1-ND1 3.76Å; D318-H322 PolarHBondContact OD1-ND1 3.07Å; D318-H322 IonicContact OD2-CE1 3.91Å; D318-H322 IonicContact OD2-ND1 3.06Å; D318-F348 HydrophobicContact CB-CD1 3.71Å; D318-F348 HydrophobicContact CB-CE1 3.72Å; D318-F348 VanDerWaalsContact OD1-CD1 3.31Å; D318-F348 WeakPolarHBondContact OD1-CD1 3.22Å
319	E	95.4	Very high	95.7	Very high	68 Å²	68	46.4 Å²	46.4	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-40.6	176.9	-174.5	-176	-165.5	0	0	111.2	R315 T316 L321 H322 L323	R315-E319 WeakPolarHBondContact CA-OE2 3.28Å; R315-E319 WeakPolarHBondContact CB-OE2 3.49Å; R315-E319 VanDerWaalsContact CG-OE2 3.32Å; R315-E319 WeakPolarHBondContact CG-OE2 3.46Å; R315-E319 PolarHBondContact N-OE2 2.95Å; T316-E319 PolarHBondContact O-N 3.29Å; T316-E319 WeakPolarHBondContact OG1-CB 3.24Å; T316-E319 PolarHBondContact OG1-N 2.97Å; E319-L321 PolarHBondContact O-N 3.12Å; E319-H322 PolarHBondContact O-N 3.16Å; E319-L323 HydrophobicContact CG-CD1 4.19Å; E319-L323 VanDerWaalsContact O-CG 3.28Å; E319-L323 WeakPolarHBondContact O-CG 3.29Å; E319-L323 PolarHBondContact O-N 3.45Å
320	Q	96.4	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-44.9	176.2	-172	67.5	33.6	0	0	111.5	L275 W276 L283 F312 G314 T316 D318 L323 I324	L275-Q320 HydrophobicContact CB-CB 4.33Å; L275-Q320 HydrophobicContact CB-CG 4.01Å; L275-Q320 HydrophobicContact CD1-CB 4.41Å; L275-Q320 PolarHBondContact O-NE2 2.94Å; W276-Q320 PolarHBondContact O-NE2 3.39Å; L283-Q320 HydrophobicContact CD1-CB 4.23Å; L283-Q320 HydrophobicContact CD1-CG 3.43Å; L283-Q320 VanDerWaalsContact CD1-CG 3.43Å; L283-Q320 HydrophobicContact CD2-CB 4.43Å; L283-Q320 HydrophobicContact CD2-CG 4.12Å; L283-Q320 HydrophobicContact CG-CG 4.46Å; F312-Q320 PolarHBondContact O-NE2 3.29Å; F312-Q320 PolarHBondContact O-OE1 3.04Å; G314-Q320 VanDerWaalsContact CA-OE1 3.24Å; T316-Q320 VanDerWaalsContact O-CB 3.23Å; T316-Q320 WeakPolarHBondContact O-CB 3.12Å; T316-Q320 PolarHBondContact O-N 3.17Å; D318-Q320 VanDerWaalsContact C-N 3.33Å; D318-Q320 PolarHBondContact O-N 3.41Å; Q320-L323 PolarHBondContact O-N 3.34Å; Q320-I324 HydrophobicContact CG-CD1 4.2Å; Q320-I324 WeakPolarHBondContact O-CD1 3.49Å; Q320-I324 VanDerWaalsContact O-CG1 3.25Å; Q320-I324 WeakPolarHBondContact O-CG1 3.27Å; Q320-I324 PolarHBondContact O-N 3.42Å; Q320-I324 VanDerWaalsContact O-N 3.12Å
321	L	96.9	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-41	176.8	-71.9	168.9	0	0	0	111.9	P280 L283 L284 V317 D318 E319 L323 I324 F325 F348 F350	P280-L321 HydrophobicContact CB-CD2 4Å; L283-L321 HydrophobicContact CB-CD1 4.43Å; L283-L321 HydrophobicContact CB-CD2 3.87Å; L283-L321 HydrophobicContact CB-CG 4.17Å; L283-L321 HydrophobicContact CD1-CD2 4.17Å; L283-L321 HydrophobicContact CD1-CG 4.47Å; L284-L321 HydrophobicContact CD1-CD1 4.45Å; L284-L321 HydrophobicContact CD1-CD2 4.02Å; L284-L321 HydrophobicContact CD2-CD1 3.87Å; L284-L321 HydrophobicContact CG-CD1 3.88Å; L284-L321 HydrophobicContact CG-CD2 4.07Å; V317-L321 HydrophobicContact CG1-CD1 4.02Å; V317-L321 WeakPolarHBondContact O-CB 3.25Å; V317-L321 VanDerWaalsContact O-CG 3.28Å; V317-L321 WeakPolarHBondContact O-CG 3.48Å; V317-L321 PolarHBondContact O-N 2.81Å; D318-L321 PolarHBondContact O-N 3.48Å; E319-L321 PolarHBondContact O-N 3.12Å; L321-L323 VanDerWaalsContact C-N 3.35Å; L321-L323 PolarHBondContact O-N 3.1Å; L321-I324 PolarHBondContact O-N 3.01Å; L321-F325 HydrophobicContact CB-CD2 4.28Å; L321-F325 HydrophobicContact CB-CE2 3.92Å; L321-F325 HydrophobicContact CD2-CE2 4.02Å; L321-F325 HydrophobicContact CD2-CZ 3.82Å; L321-F325 HydrophobicContact CG-CE2 4.47Å; L321-F325 WeakPolarHBondContact O-CB 2.99Å; L321-F325 VanDerWaalsContact O-CD2 3.24Å; L321-F325 WeakPolarHBondContact O-CD2 3.2Å; L321-F325 VanDerWaalsContact O-CG 3.29Å; L321-F325 WeakPolarHBondContact O-CG 3.36Å; L321-F325 PolarHBondContact O-N 3.16Å; L321-F348 HydrophobicContact CD1-CD2 3.79Å; L321-F348 HydrophobicContact CD1-CE2 3.78Å; L321-F350 HydrophobicContact CB-CE1 3.65Å; L321-F350 HydrophobicContact CB-CZ 3.58Å; L321-F350 HydrophobicContact CD1-CZ 3.98Å; L321-F350 HydrophobicContact CG-CZ 4.4Å
322	H	97.1	Very high	95.5	Very high	44 Å²	44	45.6 Å²	45.6	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-44.3	173.4	-85.1	93.2	0	0	0	112.4	D318 E319 R326 F350	D318-H322 WeakPolarHBondContact O-CB 3.47Å; D318-H322 PolarHBondContact O-N 2.9Å; D318-H322 PolarHBondContact O-ND1 3.09Å; D318-H322 IonicContact OD1-CE1 3.91Å; D318-H322 PolarHBondContact OD1-CE1 2.79Å; D318-H322 IonicContact OD1-ND1 3.76Å; D318-H322 PolarHBondContact OD1-ND1 3.07Å; D318-H322 IonicContact OD2-CE1 3.91Å; D318-H322 IonicContact OD2-ND1 3.06Å; E319-H322 PolarHBondContact O-N 3.16Å; H322-R326 WeakPolarHBondContact O-CB 3.19Å; H322-R326 PolarHBondContact O-N 3.36Å; H322-F350 AromaticContact CD2-CD1 3.8Å; H322-F350 AromaticContact CE1-CD1 3.59Å; H322-F350 AromaticContact CE1-CE1 3.65Å; H322-F350 AromaticContact CG-CD1 3.84Å; H322-F350 AromaticContact CG-CE1 3.93Å; H322-F350 AromaticContact ND1-CD1 3.71Å; H322-F350 AromaticContact ND1-CE1 3.48Å; H322-F350 WeakPolarHBondContact ND1-CE1 3.28Å; H322-F350 AromaticContact NE2-CD1 3.63Å
323	L	97	Very high	95.3	Very high	54 Å²	54	51 Å²	51	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-43	177.4	-72	165.3	0	0	0	112	F312 P313 E319 Q320 L321 A327	F312-L323 HydrophobicContact CB-CB 4.33Å; F312-L323 HydrophobicContact CD1-CB 4.21Å; P313-L323 HydrophobicContact CG-CD1 4.48Å; E319-L323 HydrophobicContact CG-CD1 4.19Å; E319-L323 VanDerWaalsContact O-CG 3.28Å; E319-L323 WeakPolarHBondContact O-CG 3.29Å; E319-L323 PolarHBondContact O-N 3.45Å; Q320-L323 PolarHBondContact O-N 3.34Å; L321-L323 VanDerWaalsContact C-N 3.35Å; L321-L323 PolarHBondContact O-N 3.1Å; L323-A327 PolarHBondContact O-N 3.37Å
324	I	97.4	Very high	95.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-52	177.6	-68.6	166.4	0	0	0	111	P280 L283 W296 F312 Q320 L321 R326 A327 L328 F379	P280-I324 HydrophobicContact CB-CD1 4.27Å; P280-I324 HydrophobicContact CB-CG2 4.24Å; P280-I324 HydrophobicContact CG-CG2 4.31Å; L283-I324 HydrophobicContact CD1-CD1 3.89Å; W296-I324 HydrophobicContact CH2-CD1 4.5Å; W296-I324 HydrophobicContact CH2-CG1 4.49Å; W296-I324 HydrophobicContact CH2-CG2 3.77Å; W296-I324 HydrophobicContact CZ2-CD1 3.81Å; W296-I324 HydrophobicContact CZ2-CG1 3.98Å; W296-I324 HydrophobicContact CZ2-CG2 4.11Å; F312-I324 HydrophobicContact CB-CG1 4.19Å; F312-I324 HydrophobicContact CD1-CG1 3.93Å; F312-I324 HydrophobicContact CD2-CG1 3.79Å; F312-I324 HydrophobicContact CE1-CG1 4.24Å; F312-I324 HydrophobicContact CE2-CG1 4.1Å; F312-I324 HydrophobicContact CG-CG1 3.7Å; F312-I324 HydrophobicContact CZ-CG1 4.31Å; Q320-I324 HydrophobicContact CG-CD1 4.2Å; Q320-I324 WeakPolarHBondContact O-CD1 3.49Å; Q320-I324 VanDerWaalsContact O-CG1 3.25Å; Q320-I324 WeakPolarHBondContact O-CG1 3.27Å; Q320-I324 PolarHBondContact O-N 3.42Å; Q320-I324 VanDerWaalsContact O-N 3.12Å; L321-I324 PolarHBondContact O-N 3.01Å; I324-R326 VanDerWaalsContact C-N 3.3Å; I324-R326 PolarHBondContact O-N 2.87Å; I324-A327 PolarHBondContact O-N 2.99Å; I324-L328 HydrophobicContact CG2-CD1 4.03Å; I324-L328 WeakPolarHBondContact O-CB 3.28Å; I324-L328 PolarHBondContact O-N 3.21Å; I324-F379 HydrophobicContact CG2-CE1 4Å
325	F	97	Very high	95	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71.1	-24.3	-177.1	-59.2	-33.9	0	0	0	113	P280 L284 L321 G329 P331 I343 F350 Y353 F379	P280-F325 HydrophobicContact CB-CE1 4.33Å; L284-F325 HydrophobicContact CD1-CZ 4.02Å; L321-F325 HydrophobicContact CB-CD2 4.28Å; L321-F325 HydrophobicContact CB-CE2 3.92Å; L321-F325 HydrophobicContact CD2-CE2 4.02Å; L321-F325 HydrophobicContact CD2-CZ 3.82Å; L321-F325 HydrophobicContact CG-CE2 4.47Å; L321-F325 WeakPolarHBondContact O-CB 2.99Å; L321-F325 VanDerWaalsContact O-CD2 3.24Å; L321-F325 WeakPolarHBondContact O-CD2 3.2Å; L321-F325 VanDerWaalsContact O-CG 3.29Å; L321-F325 WeakPolarHBondContact O-CG 3.36Å; L321-F325 PolarHBondContact O-N 3.16Å; F325-G329 WeakPolarHBondContact CA-O 3.48Å; F325-G329 CarbonylContact O-C 3.45Å; F325-G329 WeakPolarHBondContact O-CA 3.5Å; F325-G329 PolarHBondContact O-N 3.08Å; F325-P331 HydrophobicContact CD1-CG 4Å; F325-P331 VanDerWaalsContact CE1-CD 3.48Å; F325-P331 HydrophobicContact CE1-CG 3.51Å; F325-P331 HydrophobicContact CZ-CG 4.09Å; F325-I343 HydrophobicContact CE1-CD1 4.49Å; F325-I343 HydrophobicContact CE2-CD1 3.91Å; F325-I343 HydrophobicContact CE2-CG1 4.39Å; F325-I343 HydrophobicContact CZ-CD1 3.7Å; F325-I343 HydrophobicContact CZ-CG1 4.36Å; F325-F350 AromaticContact CD2-CD1 3.77Å; F325-F350 HydrophobicContact CD2-CD1 3.77Å; F325-F350 AromaticContact CD2-CD2 3.96Å; F325-F350 HydrophobicContact CD2-CD2 3.96Å; F325-F350 AromaticContact CD2-CE1 3.88Å; F325-F350 HydrophobicContact CD2-CE1 3.88Å; F325-F350 HydrophobicContact CD2-CE2 4.07Å; F325-F350 AromaticContact CD2-CG 3.81Å; F325-F350 HydrophobicContact CD2-CG 3.81Å; F325-F350 HydrophobicContact CD2-CZ 4.04Å; F325-F350 HydrophobicContact CE2-CD1 4.3Å; F325-F350 AromaticContact CE2-CD2 3.9Å; F325-F350 HydrophobicContact CE2-CD2 3.9Å; F325-F350 HydrophobicContact CE2-CE1 4.06Å; F325-F350 AromaticContact CE2-CE2 3.64Å; F325-F350 HydrophobicContact CE2-CE2 3.64Å; F325-F350 HydrophobicContact CE2-CG 4.23Å; F325-F350 AromaticContact CE2-CZ 3.73Å; F325-F350 HydrophobicContact CE2-CZ 3.73Å; F325-Y353 HydrophobicContact CB-CD2 3.99Å; F325-Y353 WeakPolarHBondContact O-CB 3.4Å; F325-F379 AromaticContact CD1-CE1 3.6Å; F325-F379 HydrophobicContact CD1-CE1 3.6Å; F325-F379 AromaticContact CD1-CZ 3.88Å; F325-F379 HydrophobicContact CD1-CZ 3.88Å; F325-F379 HydrophobicContact CE1-CD1 4.19Å; F325-F379 AromaticContact CE1-CE1 3.52Å; F325-F379 HydrophobicContact CE1-CE1 3.52Å; F325-F379 HydrophobicContact CE1-CZ 4.17Å
326	R	95.6	Very high	95	Very high	145 Å²	145	51.3 Å²	51.3	55%	0.547	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-44.9	171.7	-179	175.9	176.1	171.5	-0.1	112.2	H322 I324 Y353	H322-R326 WeakPolarHBondContact O-CB 3.19Å; H322-R326 PolarHBondContact O-N 3.36Å; I324-R326 VanDerWaalsContact C-N 3.3Å; I324-R326 PolarHBondContact O-N 2.87Å; R326-Y353 HydrophobicContact CB-CD1 4.05Å; R326-Y353 HydrophobicContact CB-CE1 3.98Å; R326-Y353 HydrophobicContact CB-CG 4.37Å; R326-Y353 HydrophobicContact CG-CD1 4.11Å; R326-Y353 HydrophobicContact CG-CE1 4.02Å
327	A	96	Very high	95	Very high	6 Å²	6	49.4 Å²	49.4	5%	0.05	24%	0.241	C	C	.	.	H	α-helix	trans	-75	-51.5	178.5	0	0	0	0	0	111.9	F311 F312 L323 I324 G329 E356 H361	F311-A327 HydrophobicContact CE2-CB 3.99Å; F311-A327 HydrophobicContact CZ-CB 4.15Å; F312-A327 HydrophobicContact CE1-CB 3.95Å; L323-A327 PolarHBondContact O-N 3.37Å; I324-A327 PolarHBondContact O-N 2.99Å; A327-G329 VanDerWaalsContact C-N 3.35Å; A327-G329 PolarHBondContact O-N 3.28Å; A327-E356 PolarHBondContact O-N 2.85Å; A327-H361 WeakPolarHBondContact CB-NE2 3.15Å
328	L	96.1	Very high	94.8	Very high	26 Å²	26	51.6 Å²	51.6	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-87	-2.7	-171.3	-55.3	-171.9	0	0	0	114	W296 I324 F358 L377 F379	W296-L328 HydrophobicContact CH2-CD1 3.66Å; W296-L328 HydrophobicContact CZ3-CD1 4.06Å; I324-L328 HydrophobicContact CG2-CD1 4.03Å; I324-L328 WeakPolarHBondContact O-CB 3.28Å; I324-L328 PolarHBondContact O-N 3.21Å; L328-F358 HydrophobicContact CD2-CE1 3.59Å; L328-F358 HydrophobicContact CD2-CE2 4.39Å; L328-F358 HydrophobicContact CD2-CZ 3.37Å; L328-L377 HydrophobicContact CD1-CB 4.4Å; L328-F379 HydrophobicContact CB-CE1 4.28Å; L328-F379 HydrophobicContact CB-CE2 4.09Å; L328-F379 HydrophobicContact CB-CZ 3.54Å; L328-F379 HydrophobicContact CD1-CE1 4.18Å; L328-F379 HydrophobicContact CD1-CZ 4.19Å
329	G	96	Very high	94.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	24%	0.236	C	C	.	.			trans	76.8	164.6	-167.2	0	0	0	0	0	112.5	F325 A327 Y353 F379	F325-G329 WeakPolarHBondContact CA-O 3.48Å; F325-G329 CarbonylContact O-C 3.45Å; F325-G329 WeakPolarHBondContact O-CA 3.5Å; F325-G329 PolarHBondContact O-N 3.08Å; A327-G329 VanDerWaalsContact C-N 3.35Å; A327-G329 PolarHBondContact O-N 3.28Å; G329-Y353 WeakPolarHBondContact CA-O 3.41Å; G329-F379 VanDerWaalsContact O-CZ 3.31Å; G329-F379 WeakPolarHBondContact O-CZ 3.35Å
330	I	94.8	Very high	94.6	Very high	37 Å²	37	47 Å²	47	19%	0.19	23%	0.226	C	C	.	.			trans	-72.8	138.5	172.5	-164.4	171.5	0	0	0	110.3	R332 F350 N352 Y353	I330-R332 WeakPolarHBondContact O-CG 3.24Å; I330-F350 HydrophobicContact CD1-CB 3.98Å; I330-N352 WeakPolarHBondContact CG2-OD1 3.34Å; I330-Y353 PolarHBondContact N-O 3.47Å
331	P	94.9	Very high	94.4	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.052	24%	0.24	C	C	.	.			trans	-56.9	148.9	175.1	-27.3	35.8	0	0	0	112.9	F325 H336 L339 V340 I343 F379	F325-P331 HydrophobicContact CD1-CG 4Å; F325-P331 VanDerWaalsContact CE1-CD 3.48Å; F325-P331 HydrophobicContact CE1-CG 3.51Å; F325-P331 HydrophobicContact CZ-CG 4.09Å; P331-H336 HydrophobicContact CB-CB 3.84Å; P331-L339 HydrophobicContact CB-CD2 4.18Å; P331-L339 HydrophobicContact CG-CD2 3.74Å; P331-L339 HydrophobicContact CG-CG 4.34Å; P331-V340 HydrophobicContact CB-CG2 4.01Å; P331-V340 WeakPolarHBondContact O-CG2 3.48Å; P331-I343 HydrophobicContact CB-CD1 4.38Å; P331-I343 HydrophobicContact CG-CD1 3.93Å; P331-F379 HydrophobicContact CG-CD1 4.05Å; P331-F379 HydrophobicContact CG-CD2 4.23Å; P331-F379 HydrophobicContact CG-CE1 3.95Å; P331-F379 HydrophobicContact CG-CE2 4.09Å; P331-F379 HydrophobicContact CG-CG 4.22Å; P331-F379 HydrophobicContact CG-CZ 3.95Å
332	R	93.1	Very high	94.1	Very high	120 Å²	120	52 Å²	52	45%	0.453	25%	0.25	S	S	.	.			trans	-135.2	146.8	-174.2	-62.5	-177.5	179.5	173.3	-2.6	112.8	I330 Q335 H336 N352	I330-R332 WeakPolarHBondContact O-CG 3.24Å; R332-Q335 PolarHBondContact O-N 3.47Å; R332-H336 PolarHBondContact O-N 3.05Å; R332-N352 PolarHBondContact NH2-OD1 3.43Å
333	R	94.4	Very high	93.9	Very high	116 Å²	116	50.9 Å²	50.9	44%	0.438	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	145.5	168.8	-57.5	178.4	-174.8	-84.1	5.6	109.1	V340 D341 E344	R333-V340 HydrophobicContact CG-CB 4.19Å; R333-V340 HydrophobicContact CG-CG1 4.08Å; R333-V340 HydrophobicContact CG-CG2 4.28Å; R333-D341 IonicContact CZ-OD1 3.78Å; R333-D341 IonicContact NH1-OD1 3.29Å; R333-D341 PolarHBondContact NH1-OD1 3.07Å; R333-D341 IonicContact NH1-OD2 2.74Å; R333-D341 IonicContact NH2-OD1 3.42Å; R333-D341 PolarHBondContact NH2-OD1 3.16Å; R333-E344 IonicContact CZ-OE1 3.7Å; R333-E344 IonicContact CZ-OE2 3.52Å; R333-E344 IonicContact NE-OE1 2.7Å; R333-E344 IonicContact NH2-OE1 3.74Å; R333-E344 PolarHBondContact NH2-OE1 2.88Å; R333-E344 IonicContact NH2-OE2 3.69Å; R333-E344 PolarHBondContact NH2-OE2 2.97Å
334	P	93.8	Very high	93.7	Very high	122 Å²	122	54.5 Å²	54.5	79%	0.792	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	cis	-80.8	-23.6	-1.4	32.8	-35.2	0	0	0	114	H336 A337	P334-H336 PolarHBondContact O-N 3.01Å; P334-A337 PolarHBondContact O-N 3.45Å; P334-A337 VanDerWaalsContact O-N 3.14Å
335	Q	90.4	Very high	93.4	Very high	130 Å²	130	62 Å²	62	61%	0.607	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.9	-166.8	-168.9	-176.7	-5.2	0	0	114.9	R332	R332-Q335 PolarHBondContact O-N 3.47Å
336	H	91.8	Very high	93	Very high	21 Å²	21	63.4 Å²	63.4	10%	0.097	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	33.3	-177.8	-55.5	-50.5	0	0	0	112.5	P331 R332 P334 E338 L339 V340 F379	P331-H336 HydrophobicContact CB-CB 3.84Å; R332-H336 PolarHBondContact O-N 3.05Å; P334-H336 PolarHBondContact O-N 3.01Å; H336-E338 PolarHBondContact O-N 3.26Å; H336-L339 HydrophobicContact CB-CB 4.37Å; H336-L339 WeakPolarHBondContact O-CB 3.29Å; H336-L339 PolarHBondContact O-N 3.15Å; H336-V340 WeakPolarHBondContact O-CG2 3.33Å; H336-V340 PolarHBondContact O-N 3.13Å; H336-F379 AromaticContact CD2-CD2 3.8Å; H336-F379 AromaticContact NE2-CD2 3.62Å
337	A	92.5	Very high	92.7	Very high	34 Å²	34	61 Å²	61	28%	0.281	32%	0.316	S	S	.	.	H	α-helix	trans	-47.2	-54.2	-174.7	0	0	0	0	0	113.6	P334 L339 V340 D341	P334-A337 PolarHBondContact O-N 3.45Å; P334-A337 VanDerWaalsContact O-N 3.14Å; A337-L339 PolarHBondContact O-N 2.87Å; A337-L339 VanDerWaalsContact O-N 3.09Å; A337-V340 PolarHBondContact O-N 2.98Å; A337-D341 PolarHBondContact O-N 2.86Å
338	E	90.2	Very high	92.5	Very high	96 Å²	96	63.4 Å²	63.4	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-56.1	-29.3	178.7	-65.1	-178.2	-147.2	0	0	114.2	H336 K342 R382	H336-E338 PolarHBondContact O-N 3.26Å; E338-K342 VanDerWaalsContact O-CD 3.31Å; E338-K342 WeakPolarHBondContact O-CD 3.41Å; E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.17Å; E338-K342 PolarHBondContact O-N 3.15Å; E338-R382 VanDerWaalsContact CD-NH2 3.32Å; E338-R382 IonicContact OE1-CZ 2.76Å; E338-R382 IonicContact OE1-NH1 3.13Å; E338-R382 PolarHBondContact OE1-NH1 3.28Å; E338-R382 VanDerWaalsContact OE1-NH1 3.13Å; E338-R382 IonicContact OE1-NH2 3.62Å; E338-R382 PolarHBondContact OE1-NH2 3.34Å; E338-R382 IonicContact OE2-NH2 3.04Å; E338-R382 PolarHBondContact OE2-NH2 2.94Å
339	L	91.2	Very high	92.2	Very high	11 Å²	11	70.1 Å²	70.1	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-85.4	-35.7	-179.8	-165.9	65.4	0	0	0	111	D281 L284 P331 H336 A337 K342 I343 F379	D281-L339 HydrophobicContact CB-CD1 4.13Å; L284-L339 HydrophobicContact CB-CD1 4.21Å; L284-L339 HydrophobicContact CD1-CD1 3.56Å; L284-L339 HydrophobicContact CD1-CG 4.1Å; P331-L339 HydrophobicContact CB-CD2 4.18Å; P331-L339 HydrophobicContact CG-CD2 3.74Å; P331-L339 HydrophobicContact CG-CG 4.34Å; H336-L339 HydrophobicContact CB-CB 4.37Å; H336-L339 WeakPolarHBondContact O-CB 3.29Å; H336-L339 PolarHBondContact O-N 3.15Å; A337-L339 PolarHBondContact O-N 2.87Å; A337-L339 VanDerWaalsContact O-N 3.09Å; L339-K342 PolarHBondContact O-N 3.11Å; L339-I343 VanDerWaalsContact O-CG1 3.3Å; L339-I343 WeakPolarHBondContact O-CG1 3.41Å; L339-I343 PolarHBondContact O-N 3.37Å; L339-F379 HydrophobicContact CD2-CB 3.8Å; L339-F379 HydrophobicContact CD2-CD1 3.85Å; L339-F379 HydrophobicContact CD2-CG 4.04Å
340	V	93.4	Very high	92.1	Very high	16 Å²	16	71.4 Å²	71.4	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-42.4	171.4	178.9	0	0	0	0	110.4	P331 R333 H336 A337 K342 I343 E344	P331-V340 HydrophobicContact CB-CG2 4.01Å; P331-V340 WeakPolarHBondContact O-CG2 3.48Å; R333-V340 HydrophobicContact CG-CB 4.19Å; R333-V340 HydrophobicContact CG-CG1 4.08Å; R333-V340 HydrophobicContact CG-CG2 4.28Å; H336-V340 WeakPolarHBondContact O-CG2 3.33Å; H336-V340 PolarHBondContact O-N 3.13Å; A337-V340 PolarHBondContact O-N 2.98Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 3.25Å; V340-I343 PolarHBondContact O-N 2.81Å; V340-I343 VanDerWaalsContact O-N 3.12Å; V340-E344 HydrophobicContact CG1-CG 4.33Å; V340-E344 WeakPolarHBondContact CG1-OE1 3.39Å; V340-E344 WeakPolarHBondContact O-CG 3.36Å; V340-E344 PolarHBondContact O-N 2.94Å
341	D	92.8	Very high	92.1	Very high	56 Å²	56	72.8 Å²	72.8	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-56.4	-43.1	173.5	-63.6	-40.3	0	0	0	111.6	R333 A337 E344 Q345	R333-D341 IonicContact CZ-OD1 3.78Å; R333-D341 IonicContact NH1-OD1 3.29Å; R333-D341 PolarHBondContact NH1-OD1 3.07Å; R333-D341 IonicContact NH1-OD2 2.74Å; R333-D341 IonicContact NH2-OD1 3.42Å; R333-D341 PolarHBondContact NH2-OD1 3.16Å; A337-D341 PolarHBondContact O-N 2.86Å; D341-E344 PolarHBondContact O-N 3.09Å; D341-Q345 WeakPolarHBondContact O-CB 3.21Å; D341-Q345 VanDerWaalsContact O-CD 3.31Å; D341-Q345 WeakPolarHBondContact O-CG 3.38Å; D341-Q345 PolarHBondContact O-N 3.17Å; D341-Q345 PolarHBondContact O-NE2 3.23Å
342	K	91.2	Very high	92	Very high	49 Å²	49	78.1 Å²	78.1	21%	0.213	40%	0.401	C	S	.	.	H	α-helix	trans	-69.7	-32	177	-71.7	163.6	-176.9	159.1	0	113.2	L284 E338 L339 V340 S346	L284-K342 HydrophobicContact CB-CB 4.14Å; E338-K342 VanDerWaalsContact O-CD 3.31Å; E338-K342 WeakPolarHBondContact O-CD 3.41Å; E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.17Å; E338-K342 PolarHBondContact O-N 3.15Å; L339-K342 PolarHBondContact O-N 3.11Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 3.25Å; K342-S346 WeakPolarHBondContact O-CB 3.23Å; K342-S346 PolarHBondContact O-N 3.4Å
343	I	92.4	Very high	92.1	Very high	20 Å²	20	75.1 Å²	75.1	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-68.6	-48.1	173.2	-70.6	163.6	0	0	0	109.9	L284 F325 P331 L339 V340 Q345 S346 F350	L284-I343 HydrophobicContact CD1-CD1 4.17Å; L284-I343 HydrophobicContact CD1-CG1 3.6Å; L284-I343 HydrophobicContact CD2-CG1 4.17Å; F325-I343 HydrophobicContact CE1-CD1 4.49Å; F325-I343 HydrophobicContact CE2-CD1 3.91Å; F325-I343 HydrophobicContact CE2-CG1 4.39Å; F325-I343 HydrophobicContact CZ-CD1 3.7Å; F325-I343 HydrophobicContact CZ-CG1 4.36Å; P331-I343 HydrophobicContact CB-CD1 4.38Å; P331-I343 HydrophobicContact CG-CD1 3.93Å; L339-I343 VanDerWaalsContact O-CG1 3.3Å; L339-I343 WeakPolarHBondContact O-CG1 3.41Å; L339-I343 PolarHBondContact O-N 3.37Å; V340-I343 PolarHBondContact O-N 2.81Å; V340-I343 VanDerWaalsContact O-N 3.12Å; I343-Q345 PolarHBondContact O-N 3.46Å; I343-S346 WeakPolarHBondContact O-CB 3.31Å; I343-S346 PolarHBondContact O-N 2.7Å; I343-S346 PolarHBondContact O-OG 3Å; I343-F350 HydrophobicContact CG1-CE2 4.35Å; I343-F350 HydrophobicContact CG2-CD2 3.8Å; I343-F350 HydrophobicContact CG2-CE2 3.97Å
344	E	92	Very high	92	Very high	130 Å²	130	79.4 Å²	79.4	61%	0.607	41%	0.407	S	S	*	.	H	α-helix	trans	-63.6	-27.4	177.9	-70.3	171.1	-166.2	0	0	112.8	R333 V340 D341	R333-E344 IonicContact CZ-OE1 3.7Å; R333-E344 IonicContact CZ-OE2 3.52Å; R333-E344 IonicContact NE-OE1 2.7Å; R333-E344 IonicContact NH2-OE1 3.74Å; R333-E344 PolarHBondContact NH2-OE1 2.88Å; R333-E344 IonicContact NH2-OE2 3.69Å; R333-E344 PolarHBondContact NH2-OE2 2.97Å; V340-E344 HydrophobicContact CG1-CG 4.33Å; V340-E344 WeakPolarHBondContact CG1-OE1 3.39Å; V340-E344 WeakPolarHBondContact O-CG 3.36Å; V340-E344 PolarHBondContact O-N 2.94Å; D341-E344 PolarHBondContact O-N 3.09Å
345	Q	91.1	Very high	92	Very high	159 Å²	159	77.6 Å²	77.6	74%	0.743	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.9	172.7	-70.1	164.9	33.5	0	0	114	D341 I343	D341-Q345 WeakPolarHBondContact O-CB 3.21Å; D341-Q345 VanDerWaalsContact O-CD 3.31Å; D341-Q345 WeakPolarHBondContact O-CG 3.38Å; D341-Q345 PolarHBondContact O-N 3.17Å; D341-Q345 PolarHBondContact O-NE2 3.23Å; I343-Q345 PolarHBondContact O-N 3.46Å
346	S	88.7	Confident	92.1	Very high	29 Å²	29	75 Å²	75	20%	0.203	38%	0.383	C	S	.	.	S	Bend	trans	-89.4	163.2	179.8	79.6	0	0	0	0	112.2	K342 I343 F348	K342-S346 WeakPolarHBondContact O-CB 3.23Å; K342-S346 PolarHBondContact O-N 3.4Å; I343-S346 WeakPolarHBondContact O-CB 3.31Å; I343-S346 PolarHBondContact O-N 2.7Å; I343-S346 PolarHBondContact O-OG 3Å; S346-F348 PolarHBondContact O-N 3.19Å; S346-F348 WeakPolarHBondContact OG-CD2 3.4Å; S346-F348 PolarHBondContact OG-N 3.38Å
347	A	90.1	Very high	92.1	Very high	93 Å²	93	77.8 Å²	77.8	77%	0.769	40%	0.402	S	S	*	.	S	Bend	trans	-82.7	9.5	170.7	0	0	0	0	0	113.4
348	F	91.2	Very high	92.1	Very high	57 Å²	57	78 Å²	78	25%	0.25	40%	0.397	C	S	.	.			trans	-91.8	144.3	-176.4	-50.9	-52	0	0	0	111.4	L284 V317 D318 L321 S346 F350	L284-F348 HydrophobicContact CD2-CD2 4.23Å; L284-F348 HydrophobicContact CD2-CE2 4.4Å; V317-F348 HydrophobicContact CB-CZ 4.35Å; V317-F348 HydrophobicContact CG1-CE2 4.07Å; V317-F348 HydrophobicContact CG1-CZ 3.85Å; D318-F348 HydrophobicContact CB-CD1 3.71Å; D318-F348 HydrophobicContact CB-CE1 3.72Å; D318-F348 VanDerWaalsContact OD1-CD1 3.31Å; D318-F348 WeakPolarHBondContact OD1-CD1 3.22Å; L321-F348 HydrophobicContact CD1-CD2 3.79Å; L321-F348 HydrophobicContact CD1-CE2 3.78Å; S346-F348 PolarHBondContact O-N 3.19Å; S346-F348 WeakPolarHBondContact OG-CD2 3.4Å; S346-F348 PolarHBondContact OG-N 3.38Å; F348-F350 HydrophobicContact CB-CD2 4.43Å; F348-F350 HydrophobicContact CB-CE1 4.19Å; F348-F350 HydrophobicContact CB-CE2 3.53Å; F348-F350 HydrophobicContact CB-CZ 3.38Å; F348-F350 HydrophobicContact CD2-CZ 4.17Å; F348-F350 HydrophobicContact CG-CE2 4.45Å; F348-F350 HydrophobicContact CG-CZ 4.01Å
349	H	91.4	Very high	92.3	Very high	167 Å²	167	77.3 Å²	77.3	77%	0.773	40%	0.396	S	S	*	.			trans	-126.6	95.3	-176.5	-68.7	-29.5	0	0	0	111.1
350	F	93.8	Very high	92.4	Very high	28 Å²	28	81.7 Å²	81.7	12%	0.123	42%	0.419	C	S	.	.			trans	-92.3	134.7	-177.7	-53.1	-69.8	0	0	0	112	L321 H322 F325 I330 I343 F348	L321-F350 HydrophobicContact CB-CE1 3.65Å; L321-F350 HydrophobicContact CB-CZ 3.58Å; L321-F350 HydrophobicContact CD1-CZ 3.98Å; L321-F350 HydrophobicContact CG-CZ 4.4Å; H322-F350 AromaticContact CD2-CD1 3.8Å; H322-F350 AromaticContact CE1-CD1 3.59Å; H322-F350 AromaticContact CE1-CE1 3.65Å; H322-F350 AromaticContact CG-CD1 3.84Å; H322-F350 AromaticContact CG-CE1 3.93Å; H322-F350 AromaticContact ND1-CD1 3.71Å; H322-F350 AromaticContact ND1-CE1 3.48Å; H322-F350 WeakPolarHBondContact ND1-CE1 3.28Å; H322-F350 AromaticContact NE2-CD1 3.63Å; F325-F350 AromaticContact CD2-CD1 3.77Å; F325-F350 HydrophobicContact CD2-CD1 3.77Å; F325-F350 AromaticContact CD2-CD2 3.96Å; F325-F350 HydrophobicContact CD2-CD2 3.96Å; F325-F350 AromaticContact CD2-CE1 3.88Å; F325-F350 HydrophobicContact CD2-CE1 3.88Å; F325-F350 HydrophobicContact CD2-CE2 4.07Å; F325-F350 AromaticContact CD2-CG 3.81Å; F325-F350 HydrophobicContact CD2-CG 3.81Å; F325-F350 HydrophobicContact CD2-CZ 4.04Å; F325-F350 HydrophobicContact CE2-CD1 4.3Å; F325-F350 AromaticContact CE2-CD2 3.9Å; F325-F350 HydrophobicContact CE2-CD2 3.9Å; F325-F350 HydrophobicContact CE2-CE1 4.06Å; F325-F350 AromaticContact CE2-CE2 3.64Å; F325-F350 HydrophobicContact CE2-CE2 3.64Å; F325-F350 HydrophobicContact CE2-CG 4.23Å; F325-F350 AromaticContact CE2-CZ 3.73Å; F325-F350 HydrophobicContact CE2-CZ 3.73Å; I330-F350 HydrophobicContact CD1-CB 3.98Å; I343-F350 HydrophobicContact CG1-CE2 4.35Å; I343-F350 HydrophobicContact CG2-CD2 3.8Å; I343-F350 HydrophobicContact CG2-CE2 3.97Å; F348-F350 HydrophobicContact CB-CD2 4.43Å; F348-F350 HydrophobicContact CB-CE1 4.19Å; F348-F350 HydrophobicContact CB-CE2 3.53Å; F348-F350 HydrophobicContact CB-CZ 3.38Å; F348-F350 HydrophobicContact CD2-CZ 4.17Å; F348-F350 HydrophobicContact CG-CE2 4.45Å; F348-F350 HydrophobicContact CG-CZ 4.01Å
351	P	93.7	Very high	92.4	Very high	67 Å²	67	82.3 Å²	82.3	44%	0.435	42%	0.421	S	S	.	.			trans	-54.4	155.8	160.7	-26.3	35.3	0	0	0	112.3	Y353	P351-Y353 HydrophobicContact CB-CD2 4.43Å; P351-Y353 HydrophobicContact CB-CE1 4.2Å; P351-Y353 HydrophobicContact CB-CE2 4.15Å; P351-Y353 HydrophobicContact CG-CE1 4.39Å; P351-Y353 HydrophobicContact CG-CE2 4.13Å; P351-Y353 WeakPolarHBondContact O-CD2 3.41Å; P351-Y353 PolarHBondContact O-N 3.21Å
352	N	92.7	Very high	92.5	Very high	119 Å²	119	79.7 Å²	79.7	64%	0.636	41%	0.407	S	S	*	.			trans	-74.1	70.1	173.1	-174.9	2.2	0	0	0	110.9	I330 R332	I330-N352 WeakPolarHBondContact CG2-OD1 3.34Å; R332-N352 PolarHBondContact NH2-OD1 3.43Å
353	Y	95.3	Very high	92.8	Very high	57 Å²	57	82 Å²	82	22%	0.224	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-59.4	136	176	-65.9	-65.7	0	0	0	110.7	F325 R326 G329 I330 P351	F325-Y353 HydrophobicContact CB-CD2 3.99Å; F325-Y353 WeakPolarHBondContact O-CB 3.4Å; R326-Y353 HydrophobicContact CB-CD1 4.05Å; R326-Y353 HydrophobicContact CB-CE1 3.98Å; R326-Y353 HydrophobicContact CB-CG 4.37Å; R326-Y353 HydrophobicContact CG-CD1 4.11Å; R326-Y353 HydrophobicContact CG-CE1 4.02Å; G329-Y353 WeakPolarHBondContact CA-O 3.41Å; I330-Y353 PolarHBondContact N-O 3.47Å; P351-Y353 HydrophobicContact CB-CD2 4.43Å; P351-Y353 HydrophobicContact CB-CE1 4.2Å; P351-Y353 HydrophobicContact CB-CE2 4.15Å; P351-Y353 HydrophobicContact CG-CE1 4.39Å; P351-Y353 HydrophobicContact CG-CE2 4.13Å; P351-Y353 WeakPolarHBondContact O-CD2 3.41Å; P351-Y353 PolarHBondContact O-N 3.21Å
354	R	93.5	Very high	93	Very high	207 Å²	207	85.1 Å²	85.1	78%	0.781	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-94.5	144.4	171.2	-60.7	-177.5	-179.8	-162.8	0.1	108	E356	R354-E356 PolarHBondContact O-N 3.04Å
355	P	91.9	Very high	93.2	Very high	84 Å²	84	79.4 Å²	79.4	55%	0.545	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.7	130	175.5	25.4	-33.9	0	0	0	110.7
356	E	92.5	Very high	93.4	Very high	76 Å²	76	74.6 Å²	74.6	36%	0.355	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-89.5	131.1	169.1	-69.8	-173.8	-146.9	0	0	108.6	A327 R354 F358 H361	A327-E356 PolarHBondContact O-N 2.85Å; R354-E356 PolarHBondContact O-N 3.04Å; E356-F358 PolarHBondContact O-N 2.61Å; E356-H361 WeakPolarHBondContact CB-NE2 3.35Å; E356-H361 IonicContact OE2-CE1 2.61Å; E356-H361 PolarHBondContact OE2-CE1 2.98Å
357	P	92.5	Very high	93.8	Very high	78 Å²	78	79.3 Å²	79.3	51%	0.506	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-58.3	131.2	177.6	-28	36.1	0	0	0	112.3	I359 N360	P357-I359 HydrophobicContact CB-CG2 4.03Å; P357-I359 PolarHBondContact O-N 3.43Å; P357-N360 VanDerWaalsContact O-CB 3.27Å; P357-N360 WeakPolarHBondContact O-CB 3.37Å; P357-N360 PolarHBondContact O-N 2.93Å
358	F	92	Very high	94.2	Very high	40 Å²	40	78 Å²	78	18%	0.175	39%	0.391	C	S	.	.	H	α-helix	trans	-53.5	-28.9	-176.2	-76.8	-70.3	0	0	0	114.5	F311 L328 E356 N360 H361 A362 L370 L373 L377	F311-F358 HydrophobicContact CE1-CD1 4.29Å; F311-F358 AromaticContact CE1-CE1 3.96Å; F311-F358 HydrophobicContact CE1-CE1 3.96Å; F311-F358 HydrophobicContact CZ-CD1 4.22Å; F311-F358 HydrophobicContact CZ-CE1 4.11Å; L328-F358 HydrophobicContact CD2-CE1 3.59Å; L328-F358 HydrophobicContact CD2-CE2 4.39Å; L328-F358 HydrophobicContact CD2-CZ 3.37Å; E356-F358 PolarHBondContact O-N 2.61Å; F358-N360 PolarHBondContact O-N 3.13Å; F358-H361 PolarHBondContact O-N 3Å; F358-A362 PolarHBondContact O-N 2.93Å; F358-L370 HydrophobicContact CB-CD2 3.8Å; F358-L373 HydrophobicContact CD1-CD2 3.74Å; F358-L373 HydrophobicContact CD1-CG 4.13Å; F358-L373 HydrophobicContact CE1-CD2 4.22Å; F358-L373 HydrophobicContact CE1-CG 4.17Å; F358-L373 HydrophobicContact CG-CD2 4.28Å; F358-L377 HydrophobicContact CE1-CD1 3.9Å; F358-L377 HydrophobicContact CZ-CB 4.32Å; F358-L377 HydrophobicContact CZ-CD1 4.29Å
359	I	94.8	Very high	94.5	Very high	80 Å²	80	75.2 Å²	75.2	41%	0.41	38%	0.379	S	S	.	.	H	α-helix	trans	-58.1	-31	174.5	-167.3	171.1	0	0	0	112.8	P357 H361 P363 M367 L370	P357-I359 HydrophobicContact CB-CG2 4.03Å; P357-I359 PolarHBondContact O-N 3.43Å; I359-H361 VanDerWaalsContact C-N 3.29Å; I359-H361 PolarHBondContact O-N 2.72Å; I359-P363 WeakPolarHBondContact O-CA 3.23Å; I359-P363 WeakPolarHBondContact O-CB 3.15Å; I359-P363 WeakPolarHBondContact O-CD 3.06Å; I359-M367 HydrophobicContact CD1-CE 4.33Å; I359-L370 HydrophobicContact CB-CD1 3.82Å; I359-L370 HydrophobicContact CD1-CD1 4.48Å; I359-L370 HydrophobicContact CG1-CD1 4.2Å
360	N	94.1	Very high	94.8	Very high	104 Å²	104	68.2 Å²	68.2	56%	0.556	35%	0.347	S	S	*	.	H	α-helix	trans	-67.7	-31.3	175.6	-63.3	1.1	0	0	0	111.9	P357 F358	P357-N360 VanDerWaalsContact O-CB 3.27Å; P357-N360 WeakPolarHBondContact O-CB 3.37Å; P357-N360 PolarHBondContact O-N 2.93Å; F358-N360 PolarHBondContact O-N 3.13Å
361	H	93	Very high	95	Very high	29 Å²	29	70.3 Å²	70.3	13%	0.134	36%	0.359	C	S	.	.	H	α-helix	trans	-90.2	-36.6	-179.1	-55.1	-48.1	0	0	0	112.1	Y303 R309 F311 A327 E356 F358 I359	Y303-H361 HydrophobicContact CE2-CB 3.64Å; Y303-H361 WeakPolarHBondContact CE2-O 3Å; Y303-H361 PolarHBondContact OH-O 2.95Å; R309-H361 PolarHBondContact NH2-O 3.49Å; F311-H361 HydrophobicContact CE2-CB 4.14Å; F311-H361 AromaticContact CE2-CD2 3.89Å; F311-H361 HydrophobicContact CZ-CB 4.23Å; F311-H361 AromaticContact CZ-CD2 3.76Å; A327-H361 WeakPolarHBondContact CB-NE2 3.15Å; E356-H361 WeakPolarHBondContact CB-NE2 3.35Å; E356-H361 IonicContact OE2-CE1 2.61Å; E356-H361 PolarHBondContact OE2-CE1 2.98Å; F358-H361 PolarHBondContact O-N 3Å; I359-H361 VanDerWaalsContact C-N 3.29Å; I359-H361 PolarHBondContact O-N 2.72Å
362	A	95.4	Very high	95.3	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.008	34%	0.339	C	S	.	.			trans	-133	62.7	-173	0	0	0	0	0	113.2	Y303 V306 T307 F358 R364 L365	Y303-A362 HydrophobicContact CD2-CB 3.95Å; Y303-A362 HydrophobicContact CE2-CB 3.91Å; V306-A362 HydrophobicContact CG1-CB 4.15Å; T307-A362 HydrophobicContact CG2-CB 4.04Å; F358-A362 PolarHBondContact O-N 2.93Å; A362-R364 PolarHBondContact O-N 3.32Å; A362-L365 HydrophobicContact CB-CD1 3.87Å; A362-L365 PolarHBondContact O-N 3.47Å; A362-L365 VanDerWaalsContact O-N 3.15Å
363	P	95.9	Very high	95.5	Very high	96 Å²	96	61.5 Å²	61.5	62%	0.623	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	0.9	-172.9	28.6	-37.3	0	0	0	115.5	I359	I359-P363 WeakPolarHBondContact O-CA 3.23Å; I359-P363 WeakPolarHBondContact O-CB 3.15Å; I359-P363 WeakPolarHBondContact O-CD 3.06Å
364	R	96.7	Very high	95.6	Very high	87 Å²	87	60.1 Å²	60.1	33%	0.328	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.9	174.7	-61.6	178.9	70	-137.4	2.5	113.3	L208 M210 V306 A362	L208-R364 VanDerWaalsContact O-CZ 3.31Å; L208-R364 PolarHBondContact O-NH1 3.41Å; L208-R364 PolarHBondContact O-NH2 2.98Å; M210-R364 WeakPolarHBondContact CE-O 3.25Å; M210-R364 HydrophobicContact SD-CB 4.05Å; V306-R364 HydrophobicContact CG1-CB 3.98Å; V306-R364 WeakPolarHBondContact O-CD 3.05Å; V306-R364 PolarHBondContact O-NH1 2.95Å; A362-R364 PolarHBondContact O-N 3.32Å
365	L	96.9	Very high	95.8	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	29%	0.285	C	S	.	.	S	Bend	trans	-80.2	140.9	176.3	-74.2	164.1	0	0	0	111.1	M210 V306 A362 L370 L373 F395	M210-L365 HydrophobicContact CE-CD2 3.84Å; V306-L365 HydrophobicContact CG1-CD1 4.39Å; V306-L365 HydrophobicContact CG1-CG 4Å; V306-L365 HydrophobicContact CG2-CD1 4.27Å; V306-L365 HydrophobicContact CG2-CD2 3.79Å; V306-L365 HydrophobicContact CG2-CG 3.97Å; A362-L365 HydrophobicContact CB-CD1 3.87Å; A362-L365 PolarHBondContact O-N 3.47Å; A362-L365 VanDerWaalsContact O-N 3.15Å; L365-L370 HydrophobicContact CB-CD2 3.79Å; L365-L370 HydrophobicContact CB-CG 3.8Å; L365-L370 HydrophobicContact CD1-CD2 4.04Å; L365-L373 HydrophobicContact CD1-CD2 3.98Å; L365-F395 HydrophobicContact CD2-CE2 3.7Å; L365-F395 HydrophobicContact CD2-CZ 3.83Å
366	D	96.3	Very high	96.1	Very high	59 Å²	59	49.4 Å²	49.4	32%	0.316	26%	0.259	S	S	.	.			trans	-69.6	170.5	163	48.9	24.5	0	0	0	110.3	K214 D368 G369 L370 F395	K214-D366 IonicContact NZ-OD2 2.73Å; K214-D366 PolarHBondContact NZ-OD2 3.37Å; D366-D368 VanDerWaalsContact C-N 3.27Å; D366-D368 PolarHBondContact O-N 2.81Å; D366-G369 PolarHBondContact O-N 3.31Å; D366-G369 VanDerWaalsContact O-N 3.12Å; D366-G369 WeakPolarHBondContact OD1-CA 3.46Å; D366-G369 PolarHBondContact OD1-N 3.31Å; D366-L370 WeakPolarHBondContact O-CG 3.48Å; D366-L370 PolarHBondContact O-N 3.35Å; D366-F395 WeakPolarHBondContact OD1-CD2 3.46Å; D366-F395 WeakPolarHBondContact OD1-CE2 3.28Å
367	M	97	Very high	96.4	Very high	128 Å²	128	46 Å²	46	63%	0.631	24%	0.243	S	C	*	.	H	α-helix	trans	-59.8	-38.8	-178.1	-64.6	-59.8	102.3	0	0	111.8	I359 G369 L370 D371	I359-M367 HydrophobicContact CD1-CE 4.33Å; M367-G369 VanDerWaalsContact C-N 3.31Å; M367-G369 PolarHBondContact O-N 3.03Å; M367-L370 HydrophobicContact CE-CD1 3.63Å; M367-L370 PolarHBondContact O-N 3Å; M367-L370 HydrophobicContact SD-CD1 4.4Å; M367-D371 WeakPolarHBondContact O-CB 3.49Å; M367-D371 PolarHBondContact O-N 2.9Å
368	D	97.9	Very high	96.6	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-66.3	-32	177.4	-58	-57.1	0	0	0	113.1	D366 L372 H393 A394 F395	D366-D368 VanDerWaalsContact C-N 3.27Å; D366-D368 PolarHBondContact O-N 2.81Å; D368-L372 WeakPolarHBondContact O-CB 3.43Å; D368-L372 PolarHBondContact O-N 2.84Å; D368-H393 PolarHBondContact O-CE1 3.09Å; D368-H393 VanDerWaalsContact O-CE1 3.28Å; D368-H393 PolarHBondContact O-ND1 2.9Å; D368-A394 HydrophobicContact CB-CB 4.06Å; D368-A394 VanDerWaalsContact OD1-CB 3.25Å; D368-A394 WeakPolarHBondContact OD1-CB 3.29Å; D368-F395 HydrophobicContact CB-CB 4.12Å
369	G	97.9	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-75.9	-37.2	176.1	0	0	0	0	0	113.1	D366 M367 L373	D366-G369 PolarHBondContact O-N 3.31Å; D366-G369 VanDerWaalsContact O-N 3.12Å; D366-G369 WeakPolarHBondContact OD1-CA 3.46Å; D366-G369 PolarHBondContact OD1-N 3.31Å; M367-G369 VanDerWaalsContact C-N 3.31Å; M367-G369 PolarHBondContact O-N 3.03Å; G369-L373 WeakPolarHBondContact O-CB 3.34Å; G369-L373 PolarHBondContact O-N 3.03Å
370	L	97.8	Very high	96.5	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-41.1	170.6	-67.2	173.8	0	0	0	111.3	F358 I359 L365 D366 M367 L373 S374	F358-L370 HydrophobicContact CB-CD2 3.8Å; I359-L370 HydrophobicContact CB-CD1 3.82Å; I359-L370 HydrophobicContact CD1-CD1 4.48Å; I359-L370 HydrophobicContact CG1-CD1 4.2Å; L365-L370 HydrophobicContact CB-CD2 3.79Å; L365-L370 HydrophobicContact CB-CG 3.8Å; L365-L370 HydrophobicContact CD1-CD2 4.04Å; D366-L370 WeakPolarHBondContact O-CG 3.48Å; D366-L370 PolarHBondContact O-N 3.35Å; M367-L370 HydrophobicContact CE-CD1 3.63Å; M367-L370 PolarHBondContact O-N 3Å; M367-L370 HydrophobicContact SD-CD1 4.4Å; L370-L373 PolarHBondContact O-N 3.01Å; L370-S374 PolarHBondContact O-N 3.27Å
371	D	98.1	Very high	96.3	Very high	71 Å²	71	36.7 Å²	36.7	38%	0.38	19%	0.19	S	C	.	.	H	α-helix	trans	-65.2	-47.6	176	-175.1	62.8	0	0	0	111.4	M367 L373 S374 Q375 H393	M367-D371 WeakPolarHBondContact O-CB 3.49Å; M367-D371 PolarHBondContact O-N 2.9Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 3.37Å; D371-S374 WeakPolarHBondContact O-CA 3.47Å; D371-S374 WeakPolarHBondContact O-CB 3.48Å; D371-S374 PolarHBondContact O-N 2.86Å; D371-S374 PolarHBondContact O-OG 2.85Å; D371-Q375 WeakPolarHBondContact O-CG 3.47Å; D371-Q375 PolarHBondContact O-N 3.42Å; D371-Q375 PolarHBondContact OD2-NE2 2.93Å; D371-H393 IonicContact OD2-CE1 2.94Å; D371-H393 PolarHBondContact OD2-CE1 2.94Å; D371-H393 VanDerWaalsContact OD2-CE1 3.24Å; D371-H393 IonicContact OD2-NE2 3.17Å; D371-H393 PolarHBondContact OD2-NE2 3.46Å; D371-H393 VanDerWaalsContact OD2-NE2 3.15Å
372	L	98.5	Very high	96.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-45	173.7	178.6	59	0	0	0	112.1	L302 D368 S374 Q375 L376 I385 H393 F395 F396	L302-L372 HydrophobicContact CD2-CD2 4.16Å; L302-L372 HydrophobicContact CD2-CG 4.29Å; D368-L372 WeakPolarHBondContact O-CB 3.43Å; D368-L372 PolarHBondContact O-N 2.84Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 2.98Å; L372-Q375 PolarHBondContact O-N 3.44Å; L372-L376 HydrophobicContact CD1-CD1 4.07Å; L372-L376 HydrophobicContact CD1-CG 4.22Å; L372-L376 HydrophobicContact CG-CD1 3.96Å; L372-L376 VanDerWaalsContact O-CG 3.28Å; L372-L376 WeakPolarHBondContact O-CG 3.45Å; L372-L376 PolarHBondContact O-N 3.33Å; L372-I385 HydrophobicContact CD1-CG2 4.33Å; L372-H393 HydrophobicContact CD1-CB 4.09Å; L372-F395 HydrophobicContact CB-CB 4.47Å; L372-F395 HydrophobicContact CD2-CB 4.01Å; L372-F395 HydrophobicContact CD2-CD1 3.51Å; L372-F395 HydrophobicContact CD2-CE1 4.26Å; L372-F395 HydrophobicContact CD2-CG 4.02Å; L372-F396 HydrophobicContact CD2-CE2 3.67Å; L372-F396 HydrophobicContact CD2-CZ 3.84Å
373	L	98.1	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-41.4	176.8	-177.3	62.5	0	0	0	111.3	G299 L302 Y303 F358 L365 G369 L370 D371 L376 L377	G299-L373 WeakPolarHBondContact O-CD1 3.43Å; L302-L373 HydrophobicContact CD2-CB 4.46Å; L302-L373 HydrophobicContact CD2-CD1 4.45Å; Y303-L373 HydrophobicContact CD2-CD2 4.37Å; F358-L373 HydrophobicContact CD1-CD2 3.74Å; F358-L373 HydrophobicContact CD1-CG 4.13Å; F358-L373 HydrophobicContact CE1-CD2 4.22Å; F358-L373 HydrophobicContact CE1-CG 4.17Å; F358-L373 HydrophobicContact CG-CD2 4.28Å; L365-L373 HydrophobicContact CD1-CD2 3.98Å; G369-L373 WeakPolarHBondContact O-CB 3.34Å; G369-L373 PolarHBondContact O-N 3.03Å; L370-L373 PolarHBondContact O-N 3.01Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 3.37Å; L373-L376 PolarHBondContact O-N 2.99Å; L373-L377 HydrophobicContact CD1-CD1 3.63Å; L373-L377 HydrophobicContact CD1-CG 4.16Å; L373-L377 HydrophobicContact CG-CD1 4.04Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-L377 PolarHBondContact O-N 2.97Å
374	S	97.3	Very high	96.2	Very high	29 Å²	29	41.6 Å²	41.6	20%	0.203	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-38.1	176.4	88.2	0	0	0	0	113	L370 D371 L372 L376 Q378	L370-S374 PolarHBondContact O-N 3.27Å; D371-S374 WeakPolarHBondContact O-CA 3.47Å; D371-S374 WeakPolarHBondContact O-CB 3.48Å; D371-S374 PolarHBondContact O-N 2.86Å; D371-S374 PolarHBondContact O-OG 2.85Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 2.98Å; S374-L376 VanDerWaalsContact C-N 3.34Å; S374-Q378 PolarHBondContact O-NE2 2.98Å
375	Q	98	Very high	96.2	Very high	65 Å²	65	38.3 Å²	38.3	30%	0.304	19%	0.19	S	C	.	.	H	α-helix	trans	-73.3	-24.4	177.4	-67.8	-168.6	46.8	0	0	112.8	D371 L372 R384 I385 H393	D371-Q375 WeakPolarHBondContact O-CG 3.47Å; D371-Q375 PolarHBondContact O-N 3.42Å; D371-Q375 PolarHBondContact OD2-NE2 2.93Å; L372-Q375 PolarHBondContact O-N 3.44Å; Q375-R384 WeakPolarHBondContact O-CA 3.32Å; Q375-I385 HydrophobicContact CB-CB 4.01Å; Q375-I385 HydrophobicContact CB-CG2 3.77Å; Q375-I385 PolarHBondContact O-N 3.04Å; Q375-H393 PolarHBondContact NE2-NE2 2.78Å
376	L	98.3	Very high	96.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-80.1	-38.6	173.4	-70.3	166.8	0	0	0	112.4	M295 V298 L302 L372 L373 S374 Q378 R384 I385	M295-L376 HydrophobicContact CB-CD2 4.26Å; M295-L376 HydrophobicContact CE-CD2 3.63Å; V298-L376 HydrophobicContact CB-CD2 4.33Å; V298-L376 HydrophobicContact CG1-CD1 4.12Å; V298-L376 HydrophobicContact CG1-CD2 4.44Å; L302-L376 HydrophobicContact CD2-CD1 4.15Å; L372-L376 HydrophobicContact CD1-CD1 4.07Å; L372-L376 HydrophobicContact CD1-CG 4.22Å; L372-L376 HydrophobicContact CG-CD1 3.96Å; L372-L376 VanDerWaalsContact O-CG 3.28Å; L372-L376 WeakPolarHBondContact O-CG 3.45Å; L372-L376 PolarHBondContact O-N 3.33Å; L373-L376 PolarHBondContact O-N 2.99Å; S374-L376 VanDerWaalsContact C-N 3.34Å; L376-Q378 VanDerWaalsContact C-N 3.33Å; L376-Q378 PolarHBondContact O-N 2.76Å; L376-R384 WeakPolarHBondContact O-CD 3.41Å; L376-R384 WeakPolarHBondContact O-CG 3.46Å; L376-I385 HydrophobicContact CD2-CG2 3.61Å; L376-I385 HydrophobicContact CG-CG2 3.87Å
377	L	97.8	Very high	96.4	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	19%	0.189	C	C	.	.	S	Bend	trans	-93	37.8	-174.5	-64	179.5	0	0	0	114	W296 F311 L328 F358 L373	W296-L377 HydrophobicContact CD2-CD2 3.85Å; W296-L377 HydrophobicContact CE3-CB 4.42Å; W296-L377 HydrophobicContact CE3-CD2 3.86Å; W296-L377 HydrophobicContact CG-CD2 4.42Å; W296-L377 HydrophobicContact CH2-CD2 4.2Å; W296-L377 HydrophobicContact CZ2-CD2 4.19Å; W296-L377 HydrophobicContact CZ3-CB 4.09Å; W296-L377 HydrophobicContact CZ3-CD2 4.05Å; W296-L377 WeakPolarHBondContact CZ3-O 3.27Å; F311-L377 HydrophobicContact CD1-CD1 3.88Å; F311-L377 HydrophobicContact CE1-CD1 3.58Å; L328-L377 HydrophobicContact CD1-CB 4.4Å; F358-L377 HydrophobicContact CE1-CD1 3.9Å; F358-L377 HydrophobicContact CZ-CB 4.32Å; F358-L377 HydrophobicContact CZ-CD1 4.29Å; L373-L377 HydrophobicContact CD1-CD1 3.63Å; L373-L377 HydrophobicContact CD1-CG 4.16Å; L373-L377 HydrophobicContact CG-CD1 4.04Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-L377 PolarHBondContact O-N 2.97Å
378	Q	96.1	Very high	96.3	Very high	50 Å²	50	39.4 Å²	39.4	23%	0.234	19%	0.192	C	C	.	.			trans	-73.7	143.1	173.8	-67.3	-65.8	-51.7	0	0	112.4	S374 L376 N383 R384	S374-Q378 PolarHBondContact O-NE2 2.98Å; L376-Q378 VanDerWaalsContact C-N 3.33Å; L376-Q378 PolarHBondContact O-N 2.76Å; Q378-N383 HydrophobicContact CB-CB 4.12Å; Q378-N383 HydrophobicContact CG-CB 4.22Å; Q378-R384 HydrophobicContact CB-CG 3.78Å; Q378-R384 PolarHBondContact O-NE 3.12Å; Q378-R384 PolarHBondContact O-NH2 3.03Å
379	F	95	Very high	96.3	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.066	21%	0.205	C	C	.	.	S	Bend	trans	-63.6	-49.3	178.3	-77.9	-56.7	0	0	0	113.2	P280 I324 F325 L328 G329 P331 H336 L339 R384	P280-F379 HydrophobicContact CB-CD1 4.4Å; P280-F379 HydrophobicContact CG-CD1 3.78Å; P280-F379 HydrophobicContact CG-CE1 4.3Å; I324-F379 HydrophobicContact CG2-CE1 4Å; F325-F379 AromaticContact CD1-CE1 3.6Å; F325-F379 HydrophobicContact CD1-CE1 3.6Å; F325-F379 AromaticContact CD1-CZ 3.88Å; F325-F379 HydrophobicContact CD1-CZ 3.88Å; F325-F379 HydrophobicContact CE1-CD1 4.19Å; F325-F379 AromaticContact CE1-CE1 3.52Å; F325-F379 HydrophobicContact CE1-CE1 3.52Å; F325-F379 HydrophobicContact CE1-CZ 4.17Å; L328-F379 HydrophobicContact CB-CE1 4.28Å; L328-F379 HydrophobicContact CB-CE2 4.09Å; L328-F379 HydrophobicContact CB-CZ 3.54Å; L328-F379 HydrophobicContact CD1-CE1 4.18Å; L328-F379 HydrophobicContact CD1-CZ 4.19Å; G329-F379 VanDerWaalsContact O-CZ 3.31Å; G329-F379 WeakPolarHBondContact O-CZ 3.35Å; P331-F379 HydrophobicContact CG-CD1 4.05Å; P331-F379 HydrophobicContact CG-CD2 4.23Å; P331-F379 HydrophobicContact CG-CE1 3.95Å; P331-F379 HydrophobicContact CG-CE2 4.09Å; P331-F379 HydrophobicContact CG-CG 4.22Å; P331-F379 HydrophobicContact CG-CZ 3.95Å; H336-F379 AromaticContact CD2-CD2 3.8Å; H336-F379 AromaticContact NE2-CD2 3.62Å; L339-F379 HydrophobicContact CD2-CB 3.8Å; L339-F379 HydrophobicContact CD2-CD1 3.85Å; L339-F379 HydrophobicContact CD2-CG 4.04Å; F379-R384 PolarHBondContact O-NH2 2.91Å
380	D	90.7	Very high	96.3	Very high	37 Å²	37	42.3 Å²	42.3	20%	0.198	21%	0.205	C	C	.	.	S	Bend	trans	-80.3	125.7	171.6	-170.1	-30.2	0	0	0	109.2	R382 N383	D380-R382 PolarHBondContact O-N 3.05Å; D380-R382 VanDerWaalsContact OD1-CB 3.28Å; D380-R382 WeakPolarHBondContact OD1-CB 3.47Å; D380-R382 WeakPolarHBondContact OD1-CG 3.27Å; D380-R382 IonicContact OD1-CZ 2.64Å; D380-R382 PolarHBondContact OD1-N 3.24Å; D380-R382 IonicContact OD1-NE 3.77Å; D380-R382 PolarHBondContact OD1-NE 3.28Å; D380-R382 IonicContact OD1-NH2 3.6Å; D380-R382 IonicContact OD2-CZ 3.97Å; D380-R382 VanDerWaalsContact OD2-CZ 3.29Å; D380-R382 IonicContact OD2-NE 3.06Å; D380-R382 PolarHBondContact OD2-NE 3.08Å; D380-R382 IonicContact OD2-NH2 3.15Å; D380-R382 PolarHBondContact OD2-NH2 2.97Å; D380-N383 PolarHBondContact O-N 3.15Å; D380-N383 VanDerWaalsContact O-N 3.16Å
381	G	90.7	Very high	96.3	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-52.1	-42.7	174.4	0	0	0	0	0	112.5	H292 N383 R384	H292-G381 WeakPolarHBondContact CB-O 3.26Å; H292-G381 PolarHBondContact ND1-O 3.48Å; G381-N383 PolarHBondContact O-N 3.11Å; G381-R384 WeakPolarHBondContact O-CB 3.44Å; G381-R384 PolarHBondContact O-N 2.89Å
382	R	90.1	Very high	96.3	Very high	137 Å²	137	47 Å²	47	52%	0.517	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59	-24.2	-176.9	-63.2	169.2	-72.4	-157.3	0.3	113.3	E338 D380	E338-R382 VanDerWaalsContact CD-NH2 3.32Å; E338-R382 IonicContact OE1-CZ 2.76Å; E338-R382 IonicContact OE1-NH1 3.13Å; E338-R382 PolarHBondContact OE1-NH1 3.28Å; E338-R382 VanDerWaalsContact OE1-NH1 3.13Å; E338-R382 IonicContact OE1-NH2 3.62Å; E338-R382 PolarHBondContact OE1-NH2 3.34Å; E338-R382 IonicContact OE2-NH2 3.04Å; E338-R382 PolarHBondContact OE2-NH2 2.94Å; D380-R382 PolarHBondContact O-N 3.05Å; D380-R382 VanDerWaalsContact OD1-CB 3.28Å; D380-R382 WeakPolarHBondContact OD1-CB 3.47Å; D380-R382 WeakPolarHBondContact OD1-CG 3.27Å; D380-R382 IonicContact OD1-CZ 2.64Å; D380-R382 PolarHBondContact OD1-N 3.24Å; D380-R382 IonicContact OD1-NE 3.77Å; D380-R382 PolarHBondContact OD1-NE 3.28Å; D380-R382 IonicContact OD1-NH2 3.6Å; D380-R382 IonicContact OD2-CZ 3.97Å; D380-R382 VanDerWaalsContact OD2-CZ 3.29Å; D380-R382 IonicContact OD2-NE 3.06Å; D380-R382 PolarHBondContact OD2-NE 3.08Å; D380-R382 IonicContact OD2-NH2 3.15Å; D380-R382 PolarHBondContact OD2-NH2 2.97Å
383	N	93.9	Very high	96.3	Very high	88 Å²	88	48 Å²	48	47%	0.471	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-91.7	-9.2	178.4	-63.9	-17.6	0	0	0	113.5	Q378 D380 G381	Q378-N383 HydrophobicContact CB-CB 4.12Å; Q378-N383 HydrophobicContact CG-CB 4.22Å; D380-N383 PolarHBondContact O-N 3.15Å; D380-N383 VanDerWaalsContact O-N 3.16Å; G381-N383 PolarHBondContact O-N 3.11Å
384	R	96.8	Very high	96.3	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.019	24%	0.24	C	C	.	.	S	Bend	trans	-71.6	131.2	178.2	-62.5	176.3	-168.6	132.3	14.9	110.6	D281 H292 M295 Q375 L376 Q378 F379 G381 G386	D281-R384 IonicContact OD1-CZ 2.79Å; D281-R384 IonicContact OD1-NH1 2.67Å; D281-R384 PolarHBondContact OD1-NH1 3.32Å; D281-R384 IonicContact OD1-NH2 2.67Å; D281-R384 PolarHBondContact OD1-NH2 3.29Å; D281-R384 IonicContact OD2-NH1 3.19Å; H292-R384 HydrophobicContact CB-CB 4.48Å; H292-R384 PolarHBondContact ND1-O 3Å; H292-R384 VanDerWaalsContact O-CD 3.23Å; H292-R384 WeakPolarHBondContact O-CD 3.46Å; H292-R384 PolarHBondContact O-NH1 3.43Å; M295-R384 HydrophobicContact CB-CB 4.2Å; Q375-R384 WeakPolarHBondContact O-CA 3.32Å; L376-R384 WeakPolarHBondContact O-CD 3.41Å; L376-R384 WeakPolarHBondContact O-CG 3.46Å; Q378-R384 HydrophobicContact CB-CG 3.78Å; Q378-R384 PolarHBondContact O-NE 3.12Å; Q378-R384 PolarHBondContact O-NH2 3.03Å; F379-R384 PolarHBondContact O-NH2 2.91Å; G381-R384 WeakPolarHBondContact O-CB 3.44Å; G381-R384 PolarHBondContact O-N 2.89Å; R384-G386 PolarHBondContact O-N 3.38Å
385	I	98.1	Very high	96.3	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.092	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-54.7	124.3	175.3	-172.2	171.7	0	0	0	110.6	M295 L372 Q375 L376 M389	M295-I385 WeakPolarHBondContact CE-O 3.49Å; M295-I385 WeakPolarHBondContact CG-O 3.46Å; L372-I385 HydrophobicContact CD1-CG2 4.33Å; Q375-I385 HydrophobicContact CB-CB 4.01Å; Q375-I385 HydrophobicContact CB-CG2 3.77Å; Q375-I385 PolarHBondContact O-N 3.04Å; L376-I385 HydrophobicContact CD2-CG2 3.61Å; L376-I385 HydrophobicContact CG-CG2 3.87Å; I385-M389 HydrophobicContact CD1-CB 4.09Å; I385-M389 HydrophobicContact CG1-CB 3.74Å
386	G	97.7	Very high	96.3	Very high	30 Å²	30	46 Å²	46	31%	0.309	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-75.9	147.4	178.7	0	0	0	0	0	112.1	R384 R388 M389 G390	R384-G386 PolarHBondContact O-N 3.38Å; G386-R388 VanDerWaalsContact C-N 3.27Å; G386-R388 PolarHBondContact O-N 3.32Å; G386-M389 WeakPolarHBondContact O-CA 3.16Å; G386-M389 WeakPolarHBondContact O-CB 3.25Å; G386-M389 PolarHBondContact O-N 2.98Å; G386-G390 PolarHBondContact O-N 3.12Å
387	A	98	Very high	96.2	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-48.9	-39.9	-170.3	0	0	0	0	0	115.5	L221 L224 A225 M295 M389 G390 M391	L221-A387 HydrophobicContact CD2-CB 4.38Å; L224-A387 HydrophobicContact CB-CB 3.95Å; A225-A387 HydrophobicContact CB-CB 3.96Å; M295-A387 HydrophobicContact CE-CB 3.98Å; M295-A387 HydrophobicContact SD-CB 3.8Å; A387-M389 VanDerWaalsContact C-N 3.35Å; A387-M389 PolarHBondContact O-N 2.67Å; A387-G390 PolarHBondContact O-N 2.88Å; A387-M391 PolarHBondContact O-N 3.47Å
388	R	96.7	Very high	96	Very high	186 Å²	186	53.8 Å²	53.8	70%	0.702	27%	0.272	S	S	*	.	H	α-helix	trans	-67.7	-30.4	177.9	-168.7	178.2	-174.1	-164.5	1.6	113.8	A225 G386 M391	A225-R388 HydrophobicContact CB-CB 4.31Å; G386-R388 VanDerWaalsContact C-N 3.27Å; G386-R388 PolarHBondContact O-N 3.32Å; R388-M391 HydrophobicContact CG-CE 4.5Å
389	M	97.3	Very high	96	Very high	124 Å²	124	52.2 Å²	52.2	61%	0.611	27%	0.265	S	S	*	.	H	α-helix	trans	-80.4	-38	171.5	-66.7	-56.4	-64.7	0	0	110.7	I385 G386 A387 M391 R392 H393	I385-M389 HydrophobicContact CD1-CB 4.09Å; I385-M389 HydrophobicContact CG1-CB 3.74Å; G386-M389 WeakPolarHBondContact O-CA 3.16Å; G386-M389 WeakPolarHBondContact O-CB 3.25Å; G386-M389 PolarHBondContact O-N 2.98Å; A387-M389 VanDerWaalsContact C-N 3.35Å; A387-M389 PolarHBondContact O-N 2.67Å; M389-M391 VanDerWaalsContact C-N 3.31Å; M389-M391 PolarHBondContact O-N 2.98Å; M389-R392 CarbonylContact O-C 3.36Å; M389-R392 WeakPolarHBondContact O-CA 3.35Å; M389-R392 PolarHBondContact O-N 3.34Å; M389-H393 PolarHBondContact O-N 3.06Å
390	G	98.1	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.9	-43.7	175.1	0	0	0	0	0	112.8	G386 A387 R392 H393 F396	G386-G390 PolarHBondContact O-N 3.12Å; A387-G390 PolarHBondContact O-N 2.88Å; G390-R392 PolarHBondContact O-N 3.4Å; G390-R392 VanDerWaalsContact O-N 3.11Å; G390-H393 VanDerWaalsContact O-CB 3.27Å; G390-H393 WeakPolarHBondContact O-CB 3.31Å; G390-H393 PolarHBondContact O-N 2.97Å; G390-H393 VanDerWaalsContact O-N 3.08Å; G390-F396 WeakPolarHBondContact O-CD2 3.15Å; G390-F396 WeakPolarHBondContact O-CE2 3.36Å
391	M	97.8	Very high	96	Very high	26 Å²	26	55.7 Å²	55.7	13%	0.128	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.9	173.8	-75.5	-167.9	-69.7	0	0	114.3	F218 L221 R222 A225 A387 R388 M389 H404	F218-M391 HydrophobicContact CD2-CB 4.37Å; F218-M391 HydrophobicContact CD2-CG 4.24Å; F218-M391 HydrophobicContact CE2-CB 3.79Å; F218-M391 HydrophobicContact CE2-CG 3.88Å; F218-M391 HydrophobicContact CE2-SD 4.19Å; F218-M391 HydrophobicContact CZ-CB 4.43Å; F218-M391 HydrophobicContact CZ-CG 4.29Å; F218-M391 HydrophobicContact CZ-SD 3.98Å; L221-M391 HydrophobicContact CB-CG 3.69Å; R222-M391 WeakPolarHBondContact CA-SD 3.43Å; R222-M391 HydrophobicContact CB-SD 3.57Å; R222-M391 VanDerWaalsContact CB-SD 3.57Å; R222-M391 HydrophobicContact CG-SD 3.74Å; A225-M391 HydrophobicContact CB-CE 3.65Å; A387-M391 PolarHBondContact O-N 3.47Å; R388-M391 HydrophobicContact CG-CE 4.5Å; M389-M391 VanDerWaalsContact C-N 3.31Å; M389-M391 PolarHBondContact O-N 2.98Å; M391-H404 PolarHBondContact O-CE1 3.35Å; M391-H404 VanDerWaalsContact O-CE1 3.28Å
392	R	97.3	Very high	96.1	Very high	163 Å²	163	60.2 Å²	60.2	62%	0.615	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	12.5	-178.8	-64.9	-178.9	171.3	-111.1	-12.9	112.6	M389 G390	M389-R392 CarbonylContact O-C 3.36Å; M389-R392 WeakPolarHBondContact O-CA 3.35Å; M389-R392 PolarHBondContact O-N 3.34Å; G390-R392 PolarHBondContact O-N 3.4Å; G390-R392 VanDerWaalsContact O-N 3.11Å
393	H	98.4	Very high	96.3	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.111	30%	0.295	C	S	.	.	S	Bend	trans	-70	147.5	178.4	-151.2	-98	0	0	0	112.2	D368 D371 L372 Q375 M389 G390 F395 F396	D368-H393 PolarHBondContact O-CE1 3.09Å; D368-H393 VanDerWaalsContact O-CE1 3.28Å; D368-H393 PolarHBondContact O-ND1 2.9Å; D371-H393 IonicContact OD2-CE1 2.94Å; D371-H393 PolarHBondContact OD2-CE1 2.94Å; D371-H393 VanDerWaalsContact OD2-CE1 3.24Å; D371-H393 IonicContact OD2-NE2 3.17Å; D371-H393 PolarHBondContact OD2-NE2 3.46Å; D371-H393 VanDerWaalsContact OD2-NE2 3.15Å; L372-H393 HydrophobicContact CD1-CB 4.09Å; Q375-H393 PolarHBondContact NE2-NE2 2.78Å; M389-H393 PolarHBondContact O-N 3.06Å; G390-H393 VanDerWaalsContact O-CB 3.27Å; G390-H393 WeakPolarHBondContact O-CB 3.31Å; G390-H393 PolarHBondContact O-N 2.97Å; G390-H393 VanDerWaalsContact O-N 3.08Å; H393-F395 HydrophobicContact CB-CB 4.49Å; H393-F395 PolarHBondContact O-N 3Å; H393-F396 HydrophobicContact CB-CD2 4.07Å; H393-F396 HydrophobicContact CB-CE2 4.31Å; H393-F396 PolarHBondContact O-N 3.16Å
394	A	98	Very high	96.2	Very high	44 Å²	44	53.6 Å²	53.6	36%	0.364	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-55.3	-26.4	177.4	0	0	0	0	0	113.1	D368 F396 S397	D368-A394 HydrophobicContact CB-CB 4.06Å; D368-A394 VanDerWaalsContact OD1-CB 3.25Å; D368-A394 WeakPolarHBondContact OD1-CB 3.29Å; A394-F396 PolarHBondContact O-N 3.28Å; A394-F396 VanDerWaalsContact O-N 3.13Å; A394-S397 WeakPolarHBondContact O-CB 3.3Å; A394-S397 PolarHBondContact O-N 2.91Å; A394-S397 PolarHBondContact O-OG 3.05Å
395	F	98	Very high	95.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-53.9	-33.3	174.5	-176.3	-120.5	0	0	0	113.1	K214 L302 L365 D366 D368 L372 H393	K214-F395 HydrophobicContact CD-CE2 4.34Å; K214-F395 HydrophobicContact CD-CZ 4.36Å; K214-F395 VanDerWaalsContact CD-O 3.31Å; K214-F395 WeakPolarHBondContact CD-O 3.5Å; K214-F395 VanDerWaalsContact CE-O 3.23Å; K214-F395 WeakPolarHBondContact CE-O 3.5Å; K214-F395 HydrophobicContact CG-CD1 4.19Å; K214-F395 HydrophobicContact CG-CE1 3.66Å; K214-F395 HydrophobicContact CG-CE2 4.08Å; K214-F395 HydrophobicContact CG-CZ 3.6Å; K214-F395 PolarHBondContact NZ-O 2.83Å; L302-F395 HydrophobicContact CD1-CE1 4.2Å; L302-F395 HydrophobicContact CD1-CZ 4.38Å; L365-F395 HydrophobicContact CD2-CE2 3.7Å; L365-F395 HydrophobicContact CD2-CZ 3.83Å; D366-F395 WeakPolarHBondContact OD1-CD2 3.46Å; D366-F395 WeakPolarHBondContact OD1-CE2 3.28Å; D368-F395 HydrophobicContact CB-CB 4.12Å; L372-F395 HydrophobicContact CB-CB 4.47Å; L372-F395 HydrophobicContact CD2-CB 4.01Å; L372-F395 HydrophobicContact CD2-CD1 3.51Å; L372-F395 HydrophobicContact CD2-CE1 4.26Å; L372-F395 HydrophobicContact CD2-CG 4.02Å; H393-F395 HydrophobicContact CB-CB 4.49Å; H393-F395 PolarHBondContact O-N 3Å
396	F	98	Very high	95.6	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.026	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-92.5	1.9	-179.5	-57.8	-68	0	0	0	113.8	K214 A217 F218 L221 L372 G390 H393 A394 S398 L399	K214-F396 WeakPolarHBondContact O-CE1 3.35Å; A217-F396 HydrophobicContact CB-CE1 3.96Å; A217-F396 HydrophobicContact CB-CZ 3.98Å; F218-F396 HydrophobicContact CB-CD1 3.95Å; F218-F396 HydrophobicContact CB-CE1 3.85Å; F218-F396 HydrophobicContact CD2-CB 4.4Å; F218-F396 HydrophobicContact CD2-CD1 4.06Å; F218-F396 HydrophobicContact CD2-CD2 4.49Å; F218-F396 HydrophobicContact CD2-CG 4.05Å; F218-F396 HydrophobicContact CG-CD1 4.49Å; L221-F396 HydrophobicContact CD1-CE2 3.54Å; L221-F396 HydrophobicContact CD1-CZ 3.51Å; L372-F396 HydrophobicContact CD2-CE2 3.67Å; L372-F396 HydrophobicContact CD2-CZ 3.84Å; G390-F396 WeakPolarHBondContact O-CD2 3.15Å; G390-F396 WeakPolarHBondContact O-CE2 3.36Å; H393-F396 HydrophobicContact CB-CD2 4.07Å; H393-F396 HydrophobicContact CB-CE2 4.31Å; H393-F396 PolarHBondContact O-N 3.16Å; A394-F396 PolarHBondContact O-N 3.28Å; A394-F396 VanDerWaalsContact O-N 3.13Å; F396-S398 PolarHBondContact O-N 2.87Å; F396-S398 VanDerWaalsContact O-N 3.09Å; F396-L399 HydrophobicContact CB-CD1 4.32Å; F396-L399 HydrophobicContact CD1-CD1 3.97Å; F396-L399 WeakPolarHBondContact O-CB 3.44Å; F396-L399 PolarHBondContact O-N 3.07Å
397	S	95.4	Very high	95.3	Very high	95 Å²	95	64.3 Å²	64.3	66%	0.664	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.5	-178.7	61.6	0	0	0	0	114.8	A394 L399	A394-S397 WeakPolarHBondContact O-CB 3.3Å; A394-S397 PolarHBondContact O-N 2.91Å; A394-S397 PolarHBondContact O-OG 3.05Å; S397-L399 VanDerWaalsContact C-N 3.29Å
398	S	94.7	Very high	94.9	Very high	76 Å²	76	67.7 Å²	67.7	53%	0.531	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	0	174.4	65.6	0	0	0	0	114	F396	F396-S398 PolarHBondContact O-N 2.87Å; F396-S398 VanDerWaalsContact O-N 3.09Å
399	L	95.4	Very high	94.3	Very high	16 Å²	16	63 Å²	63	8%	0.084	35%	0.354	C	S	.	.	S	Bend	trans	-96.2	151.4	172.9	-54.7	-179.5	0	0	0	110.1	L11 K214 I215 F218 F396 S397 A401 I403	L11-L399 HydrophobicContact CD1-CD2 4.37Å; K214-L399 HydrophobicContact CB-CD2 4.44Å; I215-L399 HydrophobicContact CG1-CD2 4.19Å; F218-L399 HydrophobicContact CB-CD1 4.09Å; F218-L399 HydrophobicContact CD2-CD1 4.41Å; F218-L399 HydrophobicContact CG-CD1 4.23Å; F396-L399 HydrophobicContact CB-CD1 4.32Å; F396-L399 HydrophobicContact CD1-CD1 3.97Å; F396-L399 WeakPolarHBondContact O-CB 3.44Å; F396-L399 PolarHBondContact O-N 3.07Å; S397-L399 VanDerWaalsContact C-N 3.29Å; L399-A401 PolarHBondContact O-N 3.24Å; L399-I403 HydrophobicContact CB-CD1 3.59Å; L399-I403 HydrophobicContact CD1-CD1 3.9Å; L399-I403 HydrophobicContact CG-CD1 4.42Å
400	P	94.3	Very high	92.9	Very high	58 Å²	58	63.7 Å²	63.7	38%	0.377	35%	0.353	S	S	.	.			trans	-58.6	134.8	179.5	-23.1	34	0	0	0	112.2	L11 E402 I403	L11-P400 HydrophobicContact CD2-CG 3.94Å; P400-E402 WeakPolarHBondContact CB-OE2 3.31Å; P400-E402 PolarHBondContact O-N 2.75Å; P400-E402 VanDerWaalsContact O-N 3.17Å; P400-I403 VanDerWaalsContact O-CG1 3.22Å; P400-I403 WeakPolarHBondContact O-CG1 3.4Å; P400-I403 WeakPolarHBondContact O-CG2 3.19Å; P400-I403 PolarHBondContact O-N 2.73Å
401	A	92.3	Very high	92.7	Very high	68 Å²	68	66.9 Å²	66.9	56%	0.562	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-63	-26.6	-173.6	0	0	0	0	0	113.3	L399 I403 H404	L399-A401 PolarHBondContact O-N 3.24Å; A401-I403 PolarHBondContact O-N 2.71Å; A401-I403 VanDerWaalsContact O-N 3.11Å; A401-H404 PolarHBondContact O-CD2 3.37Å; A401-H404 PolarHBondContact O-N 2.73Å; A401-H404 VanDerWaalsContact O-N 3.15Å
402	E	92.5	Very high	92.4	Very high	98 Å²	98	69.1 Å²	69.1	46%	0.458	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-58.8	-21.8	179.8	-60.7	79	-176.4	0	0	113	P400 H404 D405	P400-E402 WeakPolarHBondContact CB-OE2 3.31Å; P400-E402 PolarHBondContact O-N 2.75Å; P400-E402 VanDerWaalsContact O-N 3.17Å; E402-H404 PolarHBondContact O-N 3.04Å; E402-H404 VanDerWaalsContact O-N 3.16Å; E402-D405 PolarHBondContact O-N 2.85Å
403	I	93	Very high	92.1	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.051	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22.4	177	70.7	-171.5	0	0	0	113.4	L11 F218 L399 P400 A401 D405 L406	L11-I403 HydrophobicContact CD1-CG2 4.02Å; L11-I403 HydrophobicContact CD2-CG2 4.47Å; L11-I403 HydrophobicContact CG-CG2 4.24Å; F218-I403 HydrophobicContact CD1-CD1 4.15Å; F218-I403 HydrophobicContact CD2-CD1 4.08Å; F218-I403 HydrophobicContact CE1-CB 4.05Å; F218-I403 HydrophobicContact CE1-CD1 3.77Å; F218-I403 HydrophobicContact CE1-CG1 3.87Å; F218-I403 HydrophobicContact CE2-CD1 3.71Å; F218-I403 HydrophobicContact CE2-CG1 4.08Å; F218-I403 HydrophobicContact CG-CD1 4.3Å; F218-I403 HydrophobicContact CZ-CB 4.15Å; F218-I403 HydrophobicContact CZ-CD1 3.55Å; F218-I403 HydrophobicContact CZ-CG1 3.52Å; L399-I403 HydrophobicContact CB-CD1 3.59Å; L399-I403 HydrophobicContact CD1-CD1 3.9Å; L399-I403 HydrophobicContact CG-CD1 4.42Å; P400-I403 VanDerWaalsContact O-CG1 3.22Å; P400-I403 WeakPolarHBondContact O-CG1 3.4Å; P400-I403 WeakPolarHBondContact O-CG2 3.19Å; P400-I403 PolarHBondContact O-N 2.73Å; A401-I403 PolarHBondContact O-N 2.71Å; A401-I403 VanDerWaalsContact O-N 3.11Å; I403-D405 VanDerWaalsContact C-N 3.31Å; I403-L406 HydrophobicContact CB-CD1 4.3Å; I403-L406 HydrophobicContact CG2-CD1 4.43Å
404	H	92.4	Very high	91.8	Very high	76 Å²	76	66.2 Å²	66.2	35%	0.352	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-76.3	-18.4	177.6	-62	-46	0	0	0	113.5	F218 M391 A401 E402	F218-H404 AromaticContact CE2-CE1 3.82Å; F218-H404 AromaticContact CE2-ND1 3.96Å; F218-H404 AromaticContact CZ-ND1 3.92Å; M391-H404 PolarHBondContact O-CE1 3.35Å; M391-H404 VanDerWaalsContact O-CE1 3.28Å; A401-H404 PolarHBondContact O-CD2 3.37Å; A401-H404 PolarHBondContact O-N 2.73Å; A401-H404 VanDerWaalsContact O-N 3.15Å; E402-H404 PolarHBondContact O-N 3.04Å; E402-H404 VanDerWaalsContact O-N 3.16Å
405	D	91.1	Very high	91.4	Very high	143 Å²	143	67.6 Å²	67.6	77%	0.765	39%	0.388	S	S	*	.	S	Bend	trans	-106	4.3	-177.7	-63.2	-39.5	0	0	0	112.9	E402 I403 D407	E402-D405 PolarHBondContact O-N 2.85Å; I403-D405 VanDerWaalsContact C-N 3.31Å; D405-D407 PolarHBondContact O-N 3.14Å
406	L	91.5	Very high	90.9	Very high	43 Å²	43	72.1 Å²	72.1	23%	0.225	41%	0.413	C	S	.	.			trans	-68.6	117.9	176	-69.4	175.4	0	0	0	112	F9 R222 I403	F9-L406 HydrophobicContact CB-CD2 4.41Å; R222-L406 PolarHBondContact NH2-O 3.29Å; I403-L406 HydrophobicContact CB-CD1 4.3Å; I403-L406 HydrophobicContact CG2-CD1 4.43Å
407	D	91.3	Very high	90.4	Very high	92 Å²	92	76.8 Å²	76.8	49%	0.492	44%	0.441	S	S	.	.			trans	-40.1	141.7	169.8	-68.2	-66.3	0	0	0	112.2	R222 D405 S409 K410	R222-D407 PolarHBondContact NH2-O 2.74Å; D405-D407 PolarHBondContact O-N 3.14Å; D407-S409 PolarHBondContact O-N 2.9Å; D407-K410 HydrophobicContact CB-CD 4.07Å; D407-K410 HydrophobicContact CB-CG 4.25Å; D407-K410 PolarHBondContact O-N 3.04Å; D407-K410 WeakPolarHBondContact OD2-CE 3.46Å; D407-K410 IonicContact OD2-NZ 3Å; D407-K410 PolarHBondContact OD2-NZ 2.7Å
408	D	90.6	Very high	90	Very high	73 Å²	73	75.4 Å²	75.4	39%	0.39	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.8	-37.6	177.4	-79.6	-16.4	0	0	0	113.4	H170 A171 Y226 R230	H170-D408 CarbonylContact C-O 3.52Å; H170-D408 WeakPolarHBondContact CA-O 3.48Å; H170-D408 PolarHBondContact CD2-O 3.13Å; H170-D408 IonicContact CD2-OD1 3.46Å; A171-D408 PolarHBondContact N-O 3.35Å; Y226-D408 HydrophobicContact CD2-CB 4.02Å; Y226-D408 VanDerWaalsContact CD2-CG 3.44Å; Y226-D408 WeakPolarHBondContact CD2-OD1 3.49Å; Y226-D408 WeakPolarHBondContact CD2-OD2 3.36Å; Y226-D408 HydrophobicContact CE2-CB 3.79Å; Y226-D408 VanDerWaalsContact CE2-CG 3.44Å; Y226-D408 WeakPolarHBondContact CE2-OD2 3.48Å; R230-D408 IonicContact CZ-OD2 2.75Å; R230-D408 IonicContact NH1-OD2 2.69Å; R230-D408 IonicContact NH2-OD2 3.79Å; R230-D408 PolarHBondContact NH2-OD2 2.94Å
409	S	83.5	Confident	89.7	Confident	89 Å²	89	75.3 Å²	75.3	62%	0.622	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	20.9	-175.5	76.1	0	0	0	0	115.7	D407	D407-S409 PolarHBondContact O-N 2.9Å
410	K	68.1	Low	89.1	Confident	138 Å²	138	80.7 Å²	80.7	60%	0.6	45%	0.445	S	S	*	.			trans	-125	0	176.2	-70	175.4	-177.9	161.4	0	110.9	A171 R222 D407	A171-K410 WeakPolarHBondContact CB-O 3.45Å; R222-K410 PolarHBondContact NH1-O 3.06Å; R222-K410 PolarHBondContact NH2-O 3.02Å; D407-K410 HydrophobicContact CB-CD 4.07Å; D407-K410 HydrophobicContact CB-CG 4.25Å; D407-K410 PolarHBondContact O-N 3.04Å; D407-K410 WeakPolarHBondContact OD2-CE 3.46Å; D407-K410 IonicContact OD2-NZ 3Å; D407-K410 PolarHBondContact OD2-NZ 2.7Å

Retrieved 410 of 410 residues in 1207.1 ms (Link to these results)

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