A0A077ZE09_TRITR Loading...

RNA-binding protein Nova-1

AlphaFold DB , UniProt , Accession A0A077ZE09, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 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	42.6	Very low	50	Low	240 Å²	240	156.8 Å²	156.8	100%	1.182	87%	0.873	S	S	*	*				0	106.2	0	-67.6	166.7	161.1	0	0	106.7
2	S	43.9	Very low	49.4	Very low	108 Å²	108	151.8 Å²	151.8	76%	0.755	86%	0.856	S	S	*	*			cis	-145.6	148.3	3.6	-65.8	0	0	0	0	112.4
3	S	48.1	Very low	49.2	Very low	114 Å²	114	151.8 Å²	151.8	80%	0.797	85%	0.851	S	S	*	*			trans	-2.4	131.5	157.8	51.5	0	0	0	0	119.8
4	G	41.8	Very low	49.2	Very low	69 Å²	69	150.6 Å²	150.6	71%	0.711	85%	0.848	S	S	*	*			trans	-90	-165.7	153.4	0	0	0	0	0	112.1
5	N	57.3	Low	49	Very low	167 Å²	167	152.7 Å²	152.7	89%	0.893	85%	0.848	S	S	*	*			trans	-149.4	135.1	169.2	-94.9	-16.8	0	0	0	109.9
6	E	48.9	Very low	49	Very low	188 Å²	188	155.5 Å²	155.5	88%	0.879	85%	0.853	S	S	*	*			trans	-114.5	144.1	161.8	-74	171.8	104.9	0	0	108.3
7	T	61.6	Low	48.6	Very low	140 Å²	140	152.5 Å²	152.5	86%	0.859	85%	0.846	S	S	*	*			trans	-149.3	102	163.7	49.8	0	0	0	0	109.2
8	D	48.4	Very low	48.7	Very low	158 Å²	158	152.8 Å²	152.8	85%	0.845	85%	0.845	S	S	*	*			trans	-73.2	151.1	157.3	-86.1	-46.1	0	0	0	109.7
9	D	62.7	Low	48.6	Very low	168 Å²	168	153.8 Å²	153.8	90%	0.898	84%	0.843	S	S	*	*			trans	-145.2	127.8	157.5	-116.3	-36.7	0	0	0	110.6
10	K	48.1	Very low	48.7	Very low	195 Å²	195	157.5 Å²	157.5	85%	0.848	84%	0.844	S	S	*	*			trans	-113.5	134.3	175.5	-74.3	-177.2	178.9	178.9	0	109.5
11	L	46.8	Very low	48.6	Very low	178 Å²	178	157 Å²	157	93%	0.932	84%	0.842	S	S	*	*			trans	-142.5	163.3	151	-94.3	175.7	0	0	0	110.6
12	S	42.4	Very low	49.1	Very low	97 Å²	97	156.4 Å²	156.4	68%	0.678	83%	0.828	S	S	*	*			trans	-145.2	-161.8	-159.8	57.3	0	0	0	0	112.2
13	I	47.2	Very low	49.2	Very low	152 Å²	152	160.1 Å²	160.1	78%	0.779	83%	0.833	S	S	*	*			trans	71.5	141.1	177	-23.2	-179.8	0	0	0	110.9
14	V	49.5	Very low	49.1	Very low	135 Å²	135	158.5 Å²	158.5	82%	0.818	83%	0.834	S	S	*	*			cis	-136.5	156.5	19.7	-156.2	0	0	0	0	111.7
15	E	45.5	Very low	49	Very low	181 Å²	181	160.9 Å²	160.9	85%	0.846	84%	0.838	S	S	*	*			trans	-88.6	151.3	168.2	-57.6	170.5	119.5	0	0	111.4
16	E	48.7	Very low	48.7	Very low	198 Å²	198	157.6 Å²	157.6	93%	0.925	83%	0.829	S	S	*	*			trans	-150.5	145.2	145.1	-160.9	158.3	-140.7	0	0	109.3
17	S	43	Very low	48.7	Very low	104 Å²	104	160.6 Å²	160.6	73%	0.727	83%	0.832	S	S	*	*			trans	-124.6	146.5	-168.6	-58.1	0	0	0	0	110.7
18	D	50.2	Low	48.2	Very low	158 Å²	158	163.4 Å²	163.4	85%	0.845	83%	0.832	S	S	*	*			trans	-161.2	145	148.1	-127.2	-9.7	0	0	0	112.4
19	E	46.1	Very low	48.4	Very low	172 Å²	172	167.4 Å²	167.4	80%	0.804	84%	0.835	S	S	*	*			trans	-98.4	153.7	-178.9	-64.2	177.1	113.6	0	0	112.5
20	R	50.9	Low	47.6	Very low	228 Å²	228	165.4 Å²	165.4	86%	0.86	83%	0.832	S	S	*	*				179	151.2	126.3	-99.8	165.1	-65.7	173.1	1	114.1
21	D	47.1	Very low	47.5	Very low	148 Å²	148	163.1 Å²	163.1	79%	0.791	83%	0.834	S	S	*	*			trans	-79.5	153.3	-178.9	-37.7	-98.6	0	0	0	113.6
22	Y	53.1	Low	47.5	Very low	226 Å²	226	163.7 Å²	163.7	89%	0.886	83%	0.832	S	S	*	*				-170.2	152.9	116.9	-127.5	-100.9	0	0	0	113.3
23	E	46.8	Very low	47.3	Very low	187 Å²	187	164.2 Å²	164.2	87%	0.874	84%	0.835	S	S	*	*			trans	-76.8	156.3	168.2	-62.1	-172.7	109.3	0	0	112.2
24	G	46.2	Very low	47.3	Very low	79 Å²	79	166.4 Å²	166.4	81%	0.814	84%	0.842	S	S	*	*			trans	-175.1	56.1	-177.2	0	0	0	0	0	118.4
25	C	39.4	Very low	47.2	Very low	119 Å²	119	166 Å²	166	80%	0.804	84%	0.84	S	S	*	*			trans	-22.9	124.6	175.9	-168.2	0	0	0	0	119.7
26	S	51.2	Low	47.1	Very low	98 Å²	98	164.7 Å²	164.7	69%	0.685	84%	0.844	S	S	*	*			trans	55.4	122.6	146	-61.3	0	0	0	0	122.4
27	R	49.2	Very low	46.6	Very low	252 Å²	252	158.8 Å²	158.8	95%	0.951	84%	0.837	S	S	*	*				-167.7	162.4	116.8	-101.6	148.8	-173.4	169	2.2	114.1
28	K	49.8	Very low	46.8	Very low	198 Å²	198	159.6 Å²	159.6	86%	0.861	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-55.7	148.3	-171.5	-57.6	167.9	179.3	174.3	0	113.7
29	R	53.1	Low	46.5	Very low	242 Å²	242	158 Å²	158	91%	0.913	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-94.7	149.9	160.4	-84.2	-173.5	174.4	172.1	-0.6	111.3
30	P	45	Very low	46.4	Very low	126 Å²	126	157.3 Å²	157.3	82%	0.818	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-83.3	173.9	175.9	-4.9	24.7	0	0	0	113
31	V	46.7	Very low	46.1	Very low	148 Å²	148	157.7 Å²	157.7	90%	0.897	84%	0.844	S	S	*	*			trans	-104.9	127.6	168.4	172.2	0	0	0	0	109.1
32	E	47.2	Very low	46	Very low	190 Å²	190	155.4 Å²	155.4	89%	0.888	85%	0.846	S	S	*	*			trans	-149.8	149.8	155.2	-168	142.4	-149.8	0	0	110.1
33	S	37.7	Very low	45.6	Very low	107 Å²	107	154.6 Å²	154.6	75%	0.748	85%	0.847	S	S	*	*			trans	-99.4	134.3	-170.6	54.8	0	0	0	0	112.8
34	Q	46.3	Very low	45.3	Very low	198 Å²	198	157.8 Å²	157.8	93%	0.925	85%	0.85	S	S	*	*			trans	-133.9	161.8	160.8	-70.8	-162.8	3.5	0	0	112.4
35	T	47.2	Very low	45.3	Very low	128 Å²	128	159.6 Å²	159.6	79%	0.785	85%	0.851	S	S	*	*			trans	-101.8	145.5	-156.7	45.3	0	0	0	0	114.8
36	V	44.4	Very low	45	Very low	152 Å²	152	161.4 Å²	161.4	92%	0.921	85%	0.852	S	S	*	*			trans	51.4	107.4	143.9	-176.8	0	0	0	0	117.5
37	G	38.8	Very low	44.6	Very low	75 Å²	75	162.7 Å²	162.7	77%	0.773	86%	0.856	S	S	*	*			trans	-163.2	123.1	167.2	0	0	0	0	0	112.1
38	S	46.6	Very low	44.2	Very low	121 Å²	121	156 Å²	156	85%	0.846	84%	0.843	S	S	*	*			trans	-43.2	154.3	-168.6	-53.7	0	0	0	0	119.1
39	P	43.2	Very low	44	Very low	124 Å²	124	152.3 Å²	152.3	81%	0.805	84%	0.843	S	S	*	*			trans	-88.2	147.8	178	35.9	-34.2	0	0	0	113.3
40	D	43.7	Very low	44.2	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	82%	0.821	S	S	*	*			trans	-161.2	156.3	138.6	-140	-26	0	0	0	114.7
41	R	45.9	Very low	45.7	Very low	237 Å²	237	143.4 Å²	143.4	89%	0.894	81%	0.807	S	S	*	*			trans	61.6	62.9	147	-149.5	176.6	-169.4	-173.2	3.3	120.7
42	A	44.4	Very low	47.5	Very low	100 Å²	100	139.7 Å²	139.7	83%	0.826	79%	0.788	S	S	*	*			trans	-117.6	110	159.7	0	0	0	0	0	113
43	K	45.6	Very low	49.5	Very low	209 Å²	209	131 Å²	131	91%	0.909	75%	0.748	S	S	*	*			trans	15.1	121.2	165.5	-99.5	170.8	174	172	0	120.1
44	R	40.4	Very low	51.8	Low	253 Å²	253	127.9 Å²	127.9	96%	0.955	72%	0.722	S	S	*	*			trans	-52.8	132.1	161	-75.9	173.8	167	157.4	-5.7	112.6
45	S	44.9	Very low	53.9	Low	118 Å²	118	118.8 Å²	118.8	83%	0.825	68%	0.68	S	S	*	*			trans	-134.8	149.7	132.6	65.8	0	0	0	0	108.2
46	N	33.4	Very low	56	Low	156 Å²	156	113.2 Å²	113.2	83%	0.834	65%	0.645	S	S	*	*			trans	-113.6	95.8	-169.2	-179.6	34.7	0	0	0	111.3
47	V	42.2	Very low	58.3	Low	125 Å²	125	106.1 Å²	106.1	76%	0.758	60%	0.602	S	S	*	*			trans	-135.1	129	159.8	-177.2	0	0	0	0	106.2	S49	V47-S49 PolarHBondContact O-N 3.22Å
48	T	40.9	Very low	60.9	Low	111 Å²	111	102.8 Å²	102.8	68%	0.681	57%	0.567	S	S	*	*			trans	-54.6	133.7	173.9	35.3	0	0	0	0	109.8	S50	T48-S50 PolarHBondContact O-N 3.24Å; T48-S50 PolarHBondContact O-OG 3.35Å
49	S	45.4	Very low	63	Low	122 Å²	122	97 Å²	97	85%	0.853	53%	0.526	S	S	*	.			trans	-62.7	82.7	177.9	53.8	0	0	0	0	110.2	V47 E51	V47-S49 PolarHBondContact O-N 3.22Å; S49-E51 PolarHBondContact O-N 2.98Å
50	S	59.1	Low	65.2	Low	65 Å²	65	93.1 Å²	93.1	46%	0.455	50%	0.501	S	S	.	.			trans	-81.6	113.9	-169.1	-61.8	0	0	0	0	107.9	T48 S52	T48-S50 PolarHBondContact O-N 3.24Å; T48-S50 PolarHBondContact O-OG 3.35Å; S50-S52 PolarHBondContact O-N 2.93Å
51	E	75.9	Confident	67.2	Low	115 Å²	115	88.2 Å²	88.2	54%	0.537	48%	0.482	S	S	.	.			trans	-60.4	95.1	179.5	-63.7	166.8	148.7	0	0	109.5	S49 V53 K109	S49-E51 PolarHBondContact O-N 2.98Å; E51-V53 PolarHBondContact O-N 2.75Å; E51-K109 IonicContact OE2-NZ 3.47Å; E51-K109 PolarHBondContact OE2-NZ 2.9Å
52	S	84.1	Confident	69.2	Low	70 Å²	70	81 Å²	81	49%	0.49	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	104.4	177.4	-69.6	0	0	0	0	109.3	S50 G107 M236	S50-S52 PolarHBondContact O-N 2.93Å; S52-G107 CarbonylContact C-O 3.53Å; S52-G107 WeakPolarHBondContact CA-O 3.38Å; S52-M236 WeakPolarHBondContact O-CE 3.45Å
53	V	88.3	Confident	71.3	Confident	8 Å²	8	76.7 Å²	76.7	5%	0.048	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	145.9	178.4	-171	0	0	0	0	108.8	E51 V55 V106 G107 I112 V229 A230	E51-V53 PolarHBondContact O-N 2.75Å; V53-V55 HydrophobicContact CG1-CG2 3.99Å; V53-V106 WeakPolarHBondContact O-CA 3.35Å; V53-G107 PolarHBondContact N-O 2.78Å; V53-G107 PolarHBondContact O-N 3.42Å; V53-G107 VanDerWaalsContact O-N 3.1Å; V53-I112 HydrophobicContact CB-CD1 3.93Å; V53-I112 WeakPolarHBondContact O-CD1 3.41Å; V53-V229 HydrophobicContact CG1-CB 4.27Å; V53-V229 HydrophobicContact CG1-CG1 3.6Å; V53-A230 HydrophobicContact CG2-CB 3.85Å
54	M	87.9	Confident	73.3	Confident	41 Å²	41	66.7 Å²	66.7	20%	0.202	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.3	165.9	178.3	178.3	-71.1	0	0	109.4	I105 V106 A239	M54-I105 WeakPolarHBondContact CA-O 3.34Å; M54-V106 HydrophobicContact CB-CG2 4.2Å; M54-V106 HydrophobicContact CE-CG2 3.52Å; M54-V106 HydrophobicContact CG-CG2 3.98Å; M54-A239 HydrophobicContact CE-CB 3.9Å; M54-A239 HydrophobicContact SD-CB 3.9Å
55	V	90	Very high	75.7	Confident	8 Å²	8	56.8 Å²	56.8	5%	0.048	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.9	179.7	-177.8	0	0	0	0	109.4	V53 S104 I105 I112 I166 L226	V53-V55 HydrophobicContact CG1-CG2 3.99Å; V55-S104 WeakPolarHBondContact O-CA 3.34Å; V55-I105 PolarHBondContact N-O 3.08Å; V55-I105 PolarHBondContact O-N 3.47Å; V55-I112 HydrophobicContact CB-CG2 4.33Å; V55-I112 HydrophobicContact CG2-CD1 4.02Å; V55-I112 HydrophobicContact CG2-CG2 4.07Å; V55-I166 HydrophobicContact CG1-CG2 3.85Å; V55-L226 HydrophobicContact CG1-CD2 4.4Å; V55-L226 HydrophobicContact CG2-CD2 3.45Å; V55-L226 VanDerWaalsContact CG2-CD2 3.45Å
56	K	90.9	Very high	77.9	Confident	10 Å²	10	52.9 Å²	52.9	4%	0.043	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.2	173.4	-71.3	176.5	-179.2	179.8	0	109.1	V102 L103 I166 V167 E206 N238 N240 Y243	K56-V102 HydrophobicContact CB-CG1 3.94Å; K56-V102 HydrophobicContact CD-CG1 4.21Å; K56-V102 HydrophobicContact CG-CG1 4.07Å; K56-L103 CarbonylContact C-O 3.09Å; K56-L103 WeakPolarHBondContact CA-O 3.46Å; K56-I166 CarbonylContact O-C 3.52Å; K56-I166 WeakPolarHBondContact O-CA 3.46Å; K56-I166 WeakPolarHBondContact O-CG2 3.33Å; K56-V167 HydrophobicContact CB-CB 3.81Å; K56-V167 HydrophobicContact CB-CG2 4.42Å; K56-V167 HydrophobicContact CD-CB 4.39Å; K56-V167 HydrophobicContact CD-CG1 4.45Å; K56-V167 PolarHBondContact O-N 2.94Å; K56-E206 IonicContact NZ-OE1 2.78Å; K56-E206 PolarHBondContact NZ-OE1 3.1Å; K56-E206 IonicContact NZ-OE2 3.76Å; K56-N238 WeakPolarHBondContact CE-O 3.49Å; K56-N238 PolarHBondContact NZ-O 3.35Å; K56-N240 WeakPolarHBondContact CE-O 3.06Å; K56-N240 PolarHBondContact NZ-O 3.01Å; K56-Y243 WeakPolarHBondContact CD-OH 3.39Å; K56-Y243 PolarHBondContact NZ-OH 3.01Å
57	L	93	Very high	80.7	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.2	179.1	-175.5	75.5	0	0	0	109.4	V59 L103 V119 M164 K165 I166	L57-V59 HydrophobicContact CD2-CG2 4.3Å; L57-V59 HydrophobicContact CG-CG2 4.41Å; L57-L103 HydrophobicContact CB-CB 4.32Å; L57-L103 HydrophobicContact CD2-CD2 4.26Å; L57-L103 PolarHBondContact N-O 3.35Å; L57-L103 PolarHBondContact O-N 2.91Å; L57-V119 HydrophobicContact CD2-CB 4.06Å; L57-V119 HydrophobicContact CD2-CG1 3.61Å; L57-V119 HydrophobicContact CD2-CG2 4.36Å; L57-M164 HydrophobicContact CD1-CG 3.58Å; L57-M164 HydrophobicContact CD1-SD 4.07Å; L57-K165 WeakPolarHBondContact CD1-O 3.39Å; L57-I166 HydrophobicContact CD1-CG1 4.09Å
58	L	92	Very high	83.1	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129	172.8	-59.4	-172.8	0	0	0	110	F95 E100 V102 K165 V167 V208	L58-F95 HydrophobicContact CD1-CB 4.39Å; L58-F95 HydrophobicContact CD1-CD1 4.09Å; L58-F95 HydrophobicContact CD1-CG 4.16Å; L58-F95 HydrophobicContact CD2-CB 3.53Å; L58-F95 HydrophobicContact CD2-CD1 4.45Å; L58-F95 HydrophobicContact CD2-CD2 3.93Å; L58-F95 HydrophobicContact CD2-CG 3.71Å; L58-E100 HydrophobicContact CB-CB 4.04Å; L58-V102 HydrophobicContact CD2-CG2 3.82Å; L58-K165 HydrophobicContact CB-CB 3.87Å; L58-K165 HydrophobicContact CB-CD 4.45Å; L58-K165 HydrophobicContact CD1-CB 4.29Å; L58-K165 HydrophobicContact CD1-CD 4.39Å; L58-K165 HydrophobicContact CG-CB 4.31Å; L58-K165 PolarHBondContact N-O 2.64Å; L58-V167 HydrophobicContact CD1-CG2 4.23Å; L58-V167 HydrophobicContact CD2-CG2 3.5Å; L58-V167 HydrophobicContact CG-CG2 3.71Å; L58-V208 HydrophobicContact CD1-CG1 3.94Å; L58-V208 HydrophobicContact CD1-CG2 3.97Å
59	V	91.5	Very high	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.2	-174.8	177.8	0	0	0	0	109	L57 A61 V63 I67 R101 L103 V119	L57-V59 HydrophobicContact CD2-CG2 4.3Å; L57-V59 HydrophobicContact CG-CG2 4.41Å; V59-A61 PolarHBondContact O-N 2.99Å; V59-V63 HydrophobicContact CG1-CB 4.39Å; V59-I67 HydrophobicContact CG1-CD1 3.49Å; V59-I67 VanDerWaalsContact CG1-CD1 3.49Å; V59-I67 HydrophobicContact CG2-CD1 4.44Å; V59-R101 PolarHBondContact N-O 3.42Å; V59-R101 PolarHBondContact O-N 3.48Å; V59-L103 HydrophobicContact CG2-CB 3.83Å; V59-L103 HydrophobicContact CG2-CD2 4.22Å; V59-V119 HydrophobicContact CG2-CG1 4.26Å
60	P	89.4	Confident	87.7	Confident	41 Å²	41	41.6 Å²	41.6	27%	0.266	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	136.5	175.5	-26.9	34.9	0	0	0	112.2	A62 V63 S64 E100	P60-A62 PolarHBondContact O-N 2.97Å; P60-A62 VanDerWaalsContact O-N 3.15Å; P60-V63 HydrophobicContact CB-CG2 4.19Å; P60-V63 PolarHBondContact O-N 3.45Å; P60-S64 PolarHBondContact O-N 2.85Å; P60-S64 VanDerWaalsContact O-N 3.13Å; P60-S64 PolarHBondContact O-OG 2.89Å; P60-E100 HydrophobicContact CG-CG 4.48Å
61	A	86.8	Confident	89.2	Confident	54 Å²	54	48.2 Å²	48.2	45%	0.446	28%	0.278	S	S	.	.	H	α-helix	trans	-56.8	-34.9	-174.7	0	0	0	0	0	113.1	V59 V63 S64	V59-A61 PolarHBondContact O-N 2.99Å; A61-V63 VanDerWaalsContact C-N 3.31Å; A61-V63 PolarHBondContact O-N 3.24Å; A61-S64 WeakPolarHBondContact O-CB 3.44Å; A61-S64 PolarHBondContact O-N 2.72Å
62	A	86.1	Confident	89.9	Confident	85 Å²	85	43.6 Å²	43.6	70%	0.702	26%	0.261	S	S	*	.	H	α-helix	trans	-63.7	-31.5	175	0	0	0	0	0	113.5	P60 K126	P60-A62 PolarHBondContact O-N 2.97Å; P60-A62 VanDerWaalsContact O-N 3.15Å; A62-K126 PolarHBondContact O-NZ 2.88Å
63	V	88.5	Confident	90.4	Very high	10 Å²	10	46 Å²	46	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-79.6	-43.9	178.5	-175.7	0	0	0	0	110.8	V59 P60 A61 G65 A66 I67 T122 I123 K126	V59-V63 HydrophobicContact CG1-CB 4.39Å; P60-V63 HydrophobicContact CB-CG2 4.19Å; P60-V63 PolarHBondContact O-N 3.45Å; A61-V63 VanDerWaalsContact C-N 3.31Å; A61-V63 PolarHBondContact O-N 3.24Å; V63-G65 PolarHBondContact O-N 2.81Å; V63-A66 PolarHBondContact O-N 2.82Å; V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.33Å; V63-T122 HydrophobicContact CG1-CG2 3.93Å; V63-I123 HydrophobicContact CB-CG1 4.41Å; V63-I123 HydrophobicContact CG1-CG1 3.83Å; V63-I123 HydrophobicContact CG2-CG1 4.2Å; V63-K126 HydrophobicContact CB-CD 4.33Å; V63-K126 HydrophobicContact CG1-CD 4.27Å; V63-K126 HydrophobicContact CG2-CB 4.36Å; V63-K126 HydrophobicContact CG2-CD 4.29Å; V63-K126 PolarHBondContact O-NZ 2.78Å; V63-K126 VanDerWaalsContact O-NZ 3.1Å
64	S	89.6	Confident	90.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-37.7	-45.4	-174.7	-63.4	0	0	0	0	115.3	P60 A61 A66 I67 I68	P60-S64 PolarHBondContact O-N 2.85Å; P60-S64 VanDerWaalsContact O-N 3.13Å; P60-S64 PolarHBondContact O-OG 2.89Å; A61-S64 WeakPolarHBondContact O-CB 3.44Å; A61-S64 PolarHBondContact O-N 2.72Å; S64-A66 PolarHBondContact O-N 3.47Å; S64-I67 PolarHBondContact O-N 3.41Å; S64-I67 VanDerWaalsContact O-N 3.16Å; S64-I68 WeakPolarHBondContact O-CG1 3.49Å; S64-I68 PolarHBondContact O-N 2.89Å; S64-I68 VanDerWaalsContact O-N 3.07Å
65	G	90.2	Very high	91.1	Very high	45 Å²	45	46.9 Å²	46.9	46%	0.464	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-20.9	-179.1	0	0	0	0	0	115.6	V63 G69	V63-G65 PolarHBondContact O-N 2.81Å; G65-G69 PolarHBondContact O-N 3.35Å
66	A	90.1	Very high	91.3	Very high	36 Å²	36	48.8 Å²	48.8	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-83.7	-34.4	172.8	0	0	0	0	0	112.3	V63 S64 G69 T122 K126	V63-A66 PolarHBondContact O-N 2.82Å; S64-A66 PolarHBondContact O-N 3.47Å; A66-G69 PolarHBondContact O-N 3.49Å; A66-T122 HydrophobicContact CB-CG2 3.64Å; A66-K126 HydrophobicContact CB-CD 4.31Å; A66-K126 VanDerWaalsContact CB-NZ 3.34Å
67	I	92	Very high	91.5	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-38.9	176.7	-62.4	160.4	0	0	0	110.3	V59 V63 S64 I75 V119 T122	V59-I67 HydrophobicContact CG1-CD1 3.49Å; V59-I67 VanDerWaalsContact CG1-CD1 3.49Å; V59-I67 HydrophobicContact CG2-CD1 4.44Å; V63-I67 HydrophobicContact CG1-CD1 3.84Å; V63-I67 HydrophobicContact CG1-CG1 4.33Å; S64-I67 PolarHBondContact O-N 3.41Å; S64-I67 VanDerWaalsContact O-N 3.16Å; I67-I75 PolarHBondContact O-N 3.15Å; I67-V119 HydrophobicContact CD1-CB 4.45Å; I67-V119 HydrophobicContact CD1-CG1 3.86Å; I67-V119 HydrophobicContact CD1-CG2 4.11Å; I67-V119 HydrophobicContact CG1-CG2 4.4Å; I67-V119 HydrophobicContact CG2-CG2 4.26Å; I67-T122 HydrophobicContact CG1-CG2 3.79Å
68	I	92.7	Very high	91.6	Very high	47 Å²	47	52.7 Å²	52.7	24%	0.241	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-42.8	171.5	-60.7	165.7	0	0	0	110.7	S64 G72 T74 I75 L88	S64-I68 WeakPolarHBondContact O-CG1 3.49Å; S64-I68 PolarHBondContact O-N 2.89Å; S64-I68 VanDerWaalsContact O-N 3.07Å; I68-G72 CarbonylContact O-C 3.6Å; I68-G72 VanDerWaalsContact O-C 3.29Å; I68-G72 VanDerWaalsContact O-CA 3.25Å; I68-G72 WeakPolarHBondContact O-CA 3.15Å; I68-T74 PolarHBondContact O-N 3.3Å; I68-I75 HydrophobicContact CG2-CG2 4.3Å; I68-I75 PolarHBondContact O-N 2.84Å; I68-L88 HydrophobicContact CD1-CD2 3.87Å; I68-L88 HydrophobicContact CG1-CD2 3.94Å
69	G	90.3	Very high	91.7	Very high	19 Å²	19	55 Å²	55	20%	0.196	32%	0.32	C	S	.	.			trans	77.1	-176.5	-171.3	0	0	0	0	0	113.4	G65 A66 H71 T74	G65-G69 PolarHBondContact O-N 3.35Å; A66-G69 PolarHBondContact O-N 3.49Å; G69-H71 PolarHBondContact O-N 2.82Å; G69-T74 WeakPolarHBondContact CA-OG1 3.34Å
70	R	92.5	Very high	91.9	Very high	208 Å²	208	62.1 Å²	62.1	79%	0.785	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-70.1	130.5	174.6	-62.7	178.3	-176.2	171.5	2	108.4	G72 E73	R70-G72 PolarHBondContact O-N 2.62Å; R70-E73 VanDerWaalsContact O-CB 3.26Å; R70-E73 WeakPolarHBondContact O-CB 3.33Å; R70-E73 PolarHBondContact O-N 2.83Å
71	H	91.3	Very high	92.1	Very high	204 Å²	204	65.7 Å²	65.7	94%	0.944	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	54.1	11.1	-177.4	-51.2	110.6	0	0	0	117	G69	G69-H71 PolarHBondContact O-N 2.82Å
72	G	91.6	Very high	92.4	Very high	18 Å²	18	63.7 Å²	63.7	19%	0.186	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	86.9	6	-173.1	0	0	0	0	0	115	I68 R70 T74 I75 A76	I68-G72 CarbonylContact O-C 3.6Å; I68-G72 VanDerWaalsContact O-C 3.29Å; I68-G72 VanDerWaalsContact O-CA 3.25Å; I68-G72 WeakPolarHBondContact O-CA 3.15Å; R70-G72 PolarHBondContact O-N 2.62Å; G72-T74 PolarHBondContact O-N 2.93Å; G72-I75 VanDerWaalsContact O-CG2 3.26Å; G72-I75 WeakPolarHBondContact O-CG2 3.39Å; G72-I75 PolarHBondContact O-N 2.87Å; G72-A76 WeakPolarHBondContact O-CB 3.32Å; G72-A76 PolarHBondContact O-N 3.46Å
73	E	94.7	Very high	92.8	Very high	119 Å²	119	68.3 Å²	68.3	56%	0.556	36%	0.357	S	S	*	.	H	α-helix	trans	-57.3	-48.1	-178	-176.4	-180	-172.8	0	0	112.5	R70 I75 A76 N77	R70-E73 VanDerWaalsContact O-CB 3.26Å; R70-E73 WeakPolarHBondContact O-CB 3.33Å; R70-E73 PolarHBondContact O-N 2.83Å; E73-I75 PolarHBondContact O-N 3.17Å; E73-A76 PolarHBondContact O-N 3.19Å; E73-N77 PolarHBondContact O-N 2.95Å; E73-N77 PolarHBondContact O-OD1 3.14Å
74	T	95.1	Very high	93	Very high	47 Å²	47	68.2 Å²	68.2	29%	0.288	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-42.3	-176.5	-53.1	0	0	0	0	112.3	I68 G69 G72 L78 F118	I68-T74 PolarHBondContact O-N 3.3Å; G69-T74 WeakPolarHBondContact CA-OG1 3.34Å; G72-T74 PolarHBondContact O-N 2.93Å; T74-L78 WeakPolarHBondContact O-CB 3.39Å; T74-L78 PolarHBondContact O-N 2.92Å; T74-F118 HydrophobicContact CG2-CE1 4.16Å; T74-F118 HydrophobicContact CG2-CZ 3.59Å
75	I	94.4	Very high	93.1	Very high	21 Å²	21	73.6 Å²	73.6	11%	0.108	38%	0.381	C	S	.	.	H	α-helix	trans	-74.7	-24.9	176.8	-167.8	168.9	0	0	0	112.8	I67 I68 G72 E73 Q79 I86	I67-I75 PolarHBondContact O-N 3.15Å; I68-I75 HydrophobicContact CG2-CG2 4.3Å; I68-I75 PolarHBondContact O-N 2.84Å; G72-I75 VanDerWaalsContact O-CG2 3.26Å; G72-I75 WeakPolarHBondContact O-CG2 3.39Å; G72-I75 PolarHBondContact O-N 2.87Å; E73-I75 PolarHBondContact O-N 3.17Å; I75-Q79 VanDerWaalsContact O-CG 3.28Å; I75-Q79 WeakPolarHBondContact O-CG 3.39Å; I75-Q79 PolarHBondContact O-N 2.78Å; I75-Q79 PolarHBondContact O-NE2 2.78Å; I75-I86 HydrophobicContact CD1-CG2 3.92Å; I75-I86 HydrophobicContact CG1-CB 4.41Å; I75-I86 HydrophobicContact CG1-CG2 4.2Å
76	A	94.9	Very high	93.3	Very high	48 Å²	48	71.9 Å²	71.9	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-72	-48.1	173.2	0	0	0	0	0	111.3	G72 E73 L78 Q79 Q80	G72-A76 WeakPolarHBondContact O-CB 3.32Å; G72-A76 PolarHBondContact O-N 3.46Å; E73-A76 PolarHBondContact O-N 3.19Å; A76-L78 PolarHBondContact O-N 2.76Å; A76-Q79 PolarHBondContact O-N 2.99Å; A76-Q80 PolarHBondContact O-N 3.47Å
77	N	95.7	Very high	93.4	Very high	75 Å²	75	75.4 Å²	75.4	40%	0.401	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-47.2	176.5	-63.5	-5.7	0	0	0	110.6	E73 Q79 Q80 D81	E73-N77 PolarHBondContact O-N 2.95Å; E73-N77 PolarHBondContact O-OD1 3.14Å; N77-Q79 VanDerWaalsContact C-N 3.28Å; N77-Q79 PolarHBondContact O-N 2.91Å; N77-Q80 WeakPolarHBondContact O-CB 3.26Å; N77-Q80 PolarHBondContact O-N 2.97Å; N77-D81 VanDerWaalsContact O-CG 3.29Å; N77-D81 PolarHBondContact O-N 2.86Å
78	L	94.6	Very high	93.3	Very high	21 Å²	21	76.6 Å²	76.6	11%	0.11	38%	0.376	C	S	.	.	H	α-helix	trans	-58.9	-36.2	178.1	-173.5	65.7	0	0	0	113.1	T74 A76 T82 I86 V115 F118	T74-L78 WeakPolarHBondContact O-CB 3.39Å; T74-L78 PolarHBondContact O-N 2.92Å; A76-L78 PolarHBondContact O-N 2.76Å; L78-T82 HydrophobicContact CD1-CG2 3.91Å; L78-T82 WeakPolarHBondContact O-CB 3.48Å; L78-T82 WeakPolarHBondContact O-CG2 3.29Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.8Å; L78-I86 HydrophobicContact CB-CD1 4.5Å; L78-I86 HydrophobicContact CD2-CD1 3.9Å; L78-I86 HydrophobicContact CG-CD1 3.94Å; L78-V115 HydrophobicContact CD1-CG2 4.48Å; L78-V115 HydrophobicContact CD2-CG1 4.17Å; L78-V115 HydrophobicContact CD2-CG2 4.48Å; L78-V115 HydrophobicContact CG-CG2 4.29Å; L78-F118 HydrophobicContact CD1-CB 4.34Å; L78-F118 HydrophobicContact CD1-CD1 4.44Å; L78-F118 HydrophobicContact CD1-CG 4.27Å; L78-F118 HydrophobicContact CD2-CD1 3.55Å; L78-F118 HydrophobicContact CD2-CE1 4.04Å; L78-F118 HydrophobicContact CD2-CG 4.18Å
79	Q	94.2	Very high	93.2	Very high	55 Å²	55	74.5 Å²	74.5	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-68.3	-41.3	173.2	-77.6	176.8	85.8	0	0	112.3	I75 A76 N77 K83 T84 I86	I75-Q79 VanDerWaalsContact O-CG 3.28Å; I75-Q79 WeakPolarHBondContact O-CG 3.39Å; I75-Q79 PolarHBondContact O-N 2.78Å; I75-Q79 PolarHBondContact O-NE2 2.78Å; A76-Q79 PolarHBondContact O-N 2.99Å; N77-Q79 VanDerWaalsContact C-N 3.28Å; N77-Q79 PolarHBondContact O-N 2.91Å; Q79-K83 WeakPolarHBondContact O-CA 3.49Å; Q79-K83 PolarHBondContact O-N 2.81Å; Q79-T84 WeakPolarHBondContact CB-O 3.04Å; Q79-T84 WeakPolarHBondContact CG-O 3.42Å; Q79-T84 PolarHBondContact O-N 2.81Å; Q79-I86 HydrophobicContact CG-CB 3.67Å; Q79-I86 HydrophobicContact CG-CD1 3.77Å; Q79-I86 HydrophobicContact CG-CG1 3.64Å; Q79-I86 VanDerWaalsContact OE1-N 3.11Å; Q79-I86 PolarHBondContact OE1-O 2.8Å
80	Q	94.7	Very high	93.2	Very high	148 Å²	148	79.8 Å²	79.8	69%	0.692	38%	0.383	S	S	*	.	H	α-helix	trans	-66.7	-45.4	179.2	177.8	172.5	-29	0	0	112.2	A76 N77	A76-Q80 PolarHBondContact O-N 3.47Å; N77-Q80 WeakPolarHBondContact O-CB 3.26Å; N77-Q80 PolarHBondContact O-N 2.97Å
81	D	95.1	Very high	92.9	Very high	116 Å²	116	74 Å²	74	62%	0.62	37%	0.374	S	S	*	.	H	α-helix	trans	-69	-52.3	-176.6	-64.8	-29.3	0	0	0	111.2	N77 K83	N77-D81 VanDerWaalsContact O-CG 3.29Å; N77-D81 PolarHBondContact O-N 2.86Å; D81-K83 VanDerWaalsContact C-N 3.28Å; D81-K83 PolarHBondContact O-N 3.09Å
82	T	93	Very high	92.6	Very high	12 Å²	12	70 Å²	70	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-77.2	-13.8	-179.4	67.5	0	0	0	0	113.4	L78 T84 A111 E114 V115	L78-T82 HydrophobicContact CD1-CG2 3.91Å; L78-T82 WeakPolarHBondContact O-CB 3.48Å; L78-T82 WeakPolarHBondContact O-CG2 3.29Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.8Å; T82-T84 PolarHBondContact O-N 2.87Å; T82-T84 WeakPolarHBondContact OG1-CG2 3.37Å; T82-T84 PolarHBondContact OG1-N 2.93Å; T82-T84 PolarHBondContact OG1-OG1 3.29Å; T82-A111 VanDerWaalsContact O-CB 3.28Å; T82-A111 WeakPolarHBondContact O-CB 3.31Å; T82-E114 HydrophobicContact CG2-CB 4.39Å; T82-E114 HydrophobicContact CG2-CG 4.05Å; T82-V115 HydrophobicContact CG2-CG2 3.89Å
83	K	92.7	Very high	92.2	Very high	183 Å²	183	70.2 Å²	70.2	80%	0.796	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	35.4	-173.6	-57	169.4	-171.7	167.1	0	112.7	Q79 D81	Q79-K83 WeakPolarHBondContact O-CA 3.49Å; Q79-K83 PolarHBondContact O-N 2.81Å; D81-K83 VanDerWaalsContact C-N 3.28Å; D81-K83 PolarHBondContact O-N 3.09Å
84	T	92.7	Very high	91.7	Very high	8 Å²	8	67.4 Å²	67.4	5%	0.049	35%	0.349	C	S	.	.			trans	-103.9	152.9	175	62.7	0	0	0	0	110.8	Q79 T82 I86 I105 V106 A111 V115	Q79-T84 WeakPolarHBondContact CB-O 3.04Å; Q79-T84 WeakPolarHBondContact CG-O 3.42Å; Q79-T84 PolarHBondContact O-N 2.81Å; T82-T84 PolarHBondContact O-N 2.87Å; T82-T84 WeakPolarHBondContact OG1-CG2 3.37Å; T82-T84 PolarHBondContact OG1-N 2.93Å; T82-T84 PolarHBondContact OG1-OG1 3.29Å; T84-I86 WeakPolarHBondContact OG1-CD1 3.3Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.42Å; T84-I105 HydrophobicContact CG2-CG2 4.49Å; T84-V106 WeakPolarHBondContact CA-O 2.93Å; T84-V106 WeakPolarHBondContact CB-O 3.45Å; T84-A111 HydrophobicContact CG2-CB 3.58Å; T84-V115 HydrophobicContact CG2-CG2 4.33Å
85	H	92.6	Very high	91.2	Very high	112 Å²	112	65.9 Å²	65.9	52%	0.519	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.6	169.4	172.3	-77.9	0	0	0	108.8	V106	H85-V106 HydrophobicContact CB-CB 4.45Å; H85-V106 PolarHBondContact N-O 2.71Å; H85-V106 PolarHBondContact O-N 2.98Å
86	I	93.6	Very high	90.6	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.046	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.5	-174.2	-54.2	173	0	0	0	109.7	I75 L78 Q79 T84 L103 S104 I105 V115	I75-I86 HydrophobicContact CD1-CG2 3.92Å; I75-I86 HydrophobicContact CG1-CB 4.41Å; I75-I86 HydrophobicContact CG1-CG2 4.2Å; L78-I86 HydrophobicContact CB-CD1 4.5Å; L78-I86 HydrophobicContact CD2-CD1 3.9Å; L78-I86 HydrophobicContact CG-CD1 3.94Å; Q79-I86 HydrophobicContact CG-CB 3.67Å; Q79-I86 HydrophobicContact CG-CD1 3.77Å; Q79-I86 HydrophobicContact CG-CG1 3.64Å; Q79-I86 VanDerWaalsContact OE1-N 3.11Å; Q79-I86 PolarHBondContact OE1-O 2.8Å; T84-I86 WeakPolarHBondContact OG1-CD1 3.3Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.42Å; I86-L103 HydrophobicContact CG2-CD1 3.45Å; I86-L103 VanDerWaalsContact CG2-CD1 3.45Å; I86-L103 HydrophobicContact CG2-CG 4.06Å; I86-S104 CarbonylContact C-O 3.54Å; I86-S104 WeakPolarHBondContact CA-O 3.33Å; I86-I105 HydrophobicContact CG1-CG2 4.37Å; I86-I105 HydrophobicContact CG2-CG1 4.45Å; I86-V115 HydrophobicContact CD1-CB 4.48Å; I86-V115 HydrophobicContact CD1-CG1 3.76Å; I86-V115 HydrophobicContact CD1-CG2 3.78Å; I86-V115 HydrophobicContact CG1-CG1 4.47Å
87	K	91.9	Very high	89.7	Confident	111 Å²	111	68.2 Å²	68.2	48%	0.483	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111.7	-179.7	-177.3	178.5	179.7	179.9	0	111.2	S104	K87-S104 PolarHBondContact N-O 3.05Å; K87-S104 WeakPolarHBondContact O-CB 3.46Å; K87-S104 PolarHBondContact O-N 3.13Å
88	L	91.3	Very high	89.1	Confident	28 Å²	28	66.7 Å²	66.7	15%	0.147	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136	173.1	-174.8	64.5	0	0	0	110.8	I68 R101 V102 L103	I68-L88 HydrophobicContact CD1-CD2 3.87Å; I68-L88 HydrophobicContact CG1-CD2 3.94Å; L88-R101 HydrophobicContact CD1-CB 3.84Å; L88-V102 CarbonylContact C-O 3.53Å; L88-L103 HydrophobicContact CB-CD1 3.86Å; L88-L103 HydrophobicContact CD1-CB 3.98Å; L88-L103 HydrophobicContact CD1-CD1 3.96Å; L88-L103 HydrophobicContact CG-CD1 4.44Å
89	S	90.5	Very high	88.6	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.021	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-59.7	157.1	173.8	72.8	0	0	0	0	111.9	E93 R101 V102	S89-E93 VanDerWaalsContact CB-O 3.23Å; S89-E93 WeakPolarHBondContact CB-O 3.49Å; S89-E93 PolarHBondContact OG-O 2.76Å; S89-R101 VanDerWaalsContact O-CZ 3.24Å; S89-R101 PolarHBondContact O-NE 2.81Å; S89-R101 PolarHBondContact O-NH2 3.48Å; S89-V102 PolarHBondContact N-O 3.48Å; S89-V102 PolarHBondContact OG-N 3.28Å
90	K	89	Confident	88.4	Confident	129 Å²	129	67.6 Å²	67.6	56%	0.561	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-61.7	159.2	176.2	-58.7	-166.7	-165.3	93.6	0	110.9	T92 E93	K90-T92 PolarHBondContact O-N 2.97Å; K90-T92 VanDerWaalsContact O-N 3.09Å; K90-E93 HydrophobicContact CB-CB 4.23Å; K90-E93 HydrophobicContact CB-CG 4.17Å; K90-E93 VanDerWaalsContact CD-OE1 3.25Å; K90-E93 WeakPolarHBondContact CD-OE1 3.38Å; K90-E93 WeakPolarHBondContact CE-OE1 3.4Å; K90-E93 VanDerWaalsContact CG-OE1 3.27Å; K90-E93 WeakPolarHBondContact CG-OE1 3.31Å; K90-E93 IonicContact NZ-OE1 2.62Å; K90-E93 PolarHBondContact NZ-OE1 3.42Å; K90-E93 CarbonylContact O-C 3.56Å; K90-E93 PolarHBondContact O-N 3.19Å
91	S	86.6	Confident	88.2	Confident	86 Å²	86	62 Å²	62	60%	0.601	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.3	174.1	-52.6	0	0	0	0	113.8	R101	S91-R101 PolarHBondContact OG-NH1 3.5Å
92	T	85	Confident	88.1	Confident	121 Å²	121	56.5 Å²	56.5	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.2	173.2	54.8	0	0	0	0	113.7	K90	K90-T92 PolarHBondContact O-N 2.97Å; K90-T92 VanDerWaalsContact O-N 3.09Å
93	E	83.5	Confident	88.1	Confident	22 Å²	22	56 Å²	56	10%	0.103	31%	0.309	C	S	.	.			trans	-107.4	76.5	-179.1	-72.5	167.3	-137.9	0	0	108.3	S89 K90 S242	S89-E93 VanDerWaalsContact CB-O 3.23Å; S89-E93 WeakPolarHBondContact CB-O 3.49Å; S89-E93 PolarHBondContact OG-O 2.76Å; K90-E93 HydrophobicContact CB-CB 4.23Å; K90-E93 HydrophobicContact CB-CG 4.17Å; K90-E93 VanDerWaalsContact CD-OE1 3.25Å; K90-E93 WeakPolarHBondContact CD-OE1 3.38Å; K90-E93 WeakPolarHBondContact CE-OE1 3.4Å; K90-E93 VanDerWaalsContact CG-OE1 3.27Å; K90-E93 WeakPolarHBondContact CG-OE1 3.31Å; K90-E93 IonicContact NZ-OE1 2.62Å; K90-E93 PolarHBondContact NZ-OE1 3.42Å; K90-E93 CarbonylContact O-C 3.56Å; K90-E93 PolarHBondContact O-N 3.19Å; E93-S242 WeakPolarHBondContact OE2-CA 3.41Å; E93-S242 VanDerWaalsContact OE2-CB 3.25Å; E93-S242 WeakPolarHBondContact OE2-CB 3.42Å; E93-S242 PolarHBondContact OE2-OG 3.46Å
94	L	84.8	Confident	88	Confident	61 Å²	61	47.4 Å²	47.4	32%	0.319	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-87	155.4	176.2	-56.6	176.2	0	0	0	110.1	E100 R101	L94-E100 WeakPolarHBondContact CA-O 3.4Å; L94-R101 HydrophobicContact CD2-CG 3.65Å
95	F	85	Confident	88	Confident	14 Å²	14	47 Å²	47	6%	0.061	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-70.8	133	171.6	-174.3	-88.8	0	0	0	109.9	L58 G97 T98 E100 V102 V167 V208 Y243	L58-F95 HydrophobicContact CD1-CB 4.39Å; L58-F95 HydrophobicContact CD1-CD1 4.09Å; L58-F95 HydrophobicContact CD1-CG 4.16Å; L58-F95 HydrophobicContact CD2-CB 3.53Å; L58-F95 HydrophobicContact CD2-CD1 4.45Å; L58-F95 HydrophobicContact CD2-CD2 3.93Å; L58-F95 HydrophobicContact CD2-CG 3.71Å; F95-G97 PolarHBondContact O-N 3.16Å; F95-T98 HydrophobicContact CD1-CG2 4.03Å; F95-T98 PolarHBondContact O-N 2.95Å; F95-T98 PolarHBondContact O-OG1 3.44Å; F95-E100 PolarHBondContact N-O 3.23Å; F95-V102 HydrophobicContact CB-CG2 3.85Å; F95-V102 HydrophobicContact CD2-CG2 4.21Å; F95-V167 HydrophobicContact CD2-CG2 3.97Å; F95-V167 HydrophobicContact CE2-CG1 3.82Å; F95-V167 HydrophobicContact CE2-CG2 3.83Å; F95-V167 HydrophobicContact CZ-CG1 4.43Å; F95-V167 HydrophobicContact CZ-CG2 4.47Å; F95-V208 HydrophobicContact CD1-CG2 4.37Å; F95-V208 HydrophobicContact CE1-CG2 3.62Å; F95-V208 HydrophobicContact CZ-CG2 3.79Å; F95-Y243 HydrophobicContact CD2-CD1 4.25Å; F95-Y243 AromaticContact CD2-CE1 3.88Å; F95-Y243 HydrophobicContact CD2-CE1 3.88Å; F95-Y243 HydrophobicContact CD2-CE2 4.31Å; F95-Y243 AromaticContact CD2-CZ 3.91Å; F95-Y243 HydrophobicContact CE2-CD1 4.43Å; F95-Y243 AromaticContact CE2-CE1 3.81Å; F95-Y243 HydrophobicContact CE2-CE1 3.81Å
96	P	81.7	Confident	88	Confident	47 Å²	47	43.5 Å²	43.5	31%	0.305	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	137.5	-173.6	20.2	-33.4	0	0	0	112.5	T98 H204 Y243	P96-T98 PolarHBondContact O-N 3.37Å; P96-H204 WeakPolarHBondContact CG-NE2 3.38Å; P96-Y243 HydrophobicContact CG-CD1 4.3Å
97	G	76.1	Confident	87.9	Confident	71 Å²	71	43.5 Å²	43.5	73%	0.732	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	2.8	-175.6	0	0	0	0	0	115.5	F95	F95-G97 PolarHBondContact O-N 3.16Å
98	T	81.8	Confident	87.9	Confident	43 Å²	43	40.2 Å²	40.2	26%	0.264	25%	0.252	S	S	.	.	S	Bend	trans	-131.7	163.8	-178.1	76.2	0	0	0	0	113.2	F95 P96 E100	F95-T98 HydrophobicContact CD1-CG2 4.03Å; F95-T98 PolarHBondContact O-N 2.95Å; F95-T98 PolarHBondContact O-OG1 3.44Å; P96-T98 PolarHBondContact O-N 3.37Å; T98-E100 VanDerWaalsContact C-N 3.31Å; T98-E100 PolarHBondContact OG1-N 2.87Å
99	S	85	Confident	87.8	Confident	78 Å²	78	43.4 Å²	43.4	55%	0.545	27%	0.265	S	S	.	.	S	Bend	trans	-94.9	23	169.2	53.7	0	0	0	0	112.9
100	E	89.2	Confident	87.8	Confident	18 Å²	18	47 Å²	47	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.8	-169.4	-58.9	177.8	136.6	0	0	110.9	L58 P60 L94 F95 T98 K165	L58-E100 HydrophobicContact CB-CB 4.04Å; P60-E100 HydrophobicContact CG-CG 4.48Å; L94-E100 WeakPolarHBondContact CA-O 3.4Å; F95-E100 PolarHBondContact N-O 3.23Å; T98-E100 VanDerWaalsContact C-N 3.31Å; T98-E100 PolarHBondContact OG1-N 2.87Å; E100-K165 IonicContact OE1-NZ 3.26Å; E100-K165 PolarHBondContact OE1-NZ 3.4Å; E100-K165 WeakPolarHBondContact OE2-CD 3.4Å; E100-K165 IonicContact OE2-NZ 2.97Å; E100-K165 PolarHBondContact OE2-NZ 3.35Å
101	R	91.7	Very high	88.1	Confident	30 Å²	30	41.5 Å²	41.5	11%	0.113	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	151.5	175.5	-71.2	171.5	69.3	-177.1	-0	109.7	V59 L88 S89 S91 L94	V59-R101 PolarHBondContact N-O 3.42Å; V59-R101 PolarHBondContact O-N 3.48Å; L88-R101 HydrophobicContact CD1-CB 3.84Å; S89-R101 VanDerWaalsContact O-CZ 3.24Å; S89-R101 PolarHBondContact O-NE 2.81Å; S89-R101 PolarHBondContact O-NH2 3.48Å; S91-R101 PolarHBondContact OG-NH1 3.5Å; L94-R101 HydrophobicContact CD2-CG 3.65Å
102	V	91.7	Very high	88.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.8	-176.9	-171.6	0	0	0	0	109.9	K56 L58 L88 S89 F95 Y243	K56-V102 HydrophobicContact CB-CG1 3.94Å; K56-V102 HydrophobicContact CD-CG1 4.21Å; K56-V102 HydrophobicContact CG-CG1 4.07Å; L58-V102 HydrophobicContact CD2-CG2 3.82Å; L88-V102 CarbonylContact C-O 3.53Å; S89-V102 PolarHBondContact N-O 3.48Å; S89-V102 PolarHBondContact OG-N 3.28Å; F95-V102 HydrophobicContact CB-CG2 3.85Å; F95-V102 HydrophobicContact CD2-CG2 4.21Å; V102-Y243 HydrophobicContact CB-CE2 4.19Å; V102-Y243 HydrophobicContact CG1-CE2 4.15Å; V102-Y243 HydrophobicContact CG2-CD2 3.88Å; V102-Y243 HydrophobicContact CG2-CE2 3.64Å
103	L	92.9	Very high	88.7	Confident	1 Å²	1	33 Å²	33	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105	172.7	-173.7	72.6	0	0	0	108.7	K56 L57 V59 I86 L88 I105 V119	K56-L103 CarbonylContact C-O 3.09Å; K56-L103 WeakPolarHBondContact CA-O 3.46Å; L57-L103 HydrophobicContact CB-CB 4.32Å; L57-L103 HydrophobicContact CD2-CD2 4.26Å; L57-L103 PolarHBondContact N-O 3.35Å; L57-L103 PolarHBondContact O-N 2.91Å; V59-L103 HydrophobicContact CG2-CB 3.83Å; V59-L103 HydrophobicContact CG2-CD2 4.22Å; I86-L103 HydrophobicContact CG2-CD1 3.45Å; I86-L103 VanDerWaalsContact CG2-CD1 3.45Å; I86-L103 HydrophobicContact CG2-CG 4.06Å; L88-L103 HydrophobicContact CB-CD1 3.86Å; L88-L103 HydrophobicContact CD1-CB 3.98Å; L88-L103 HydrophobicContact CD1-CD1 3.96Å; L88-L103 HydrophobicContact CG-CD1 4.44Å; L103-I105 HydrophobicContact CD2-CD1 4.17Å; L103-I105 HydrophobicContact CD2-CG1 4.31Å; L103-I105 HydrophobicContact CG-CG1 4.17Å; L103-V119 HydrophobicContact CD2-CG2 3.8Å
104	S	91.6	Very high	89.2	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.3	171.3	-179.6	0	0	0	0	109.7	V55 I86 K87	V55-S104 WeakPolarHBondContact O-CA 3.34Å; I86-S104 CarbonylContact C-O 3.54Å; I86-S104 WeakPolarHBondContact CA-O 3.33Å; K87-S104 PolarHBondContact N-O 3.05Å; K87-S104 WeakPolarHBondContact O-CB 3.46Å; K87-S104 PolarHBondContact O-N 3.13Å
105	I	93.2	Very high	89.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.3	179.9	-53	163.2	0	0	0	107.3	M54 V55 T84 I86 L103 I112 V115	M54-I105 WeakPolarHBondContact CA-O 3.34Å; V55-I105 PolarHBondContact N-O 3.08Å; V55-I105 PolarHBondContact O-N 3.47Å; T84-I105 HydrophobicContact CG2-CG2 4.49Å; I86-I105 HydrophobicContact CG1-CG2 4.37Å; I86-I105 HydrophobicContact CG2-CG1 4.45Å; L103-I105 HydrophobicContact CD2-CD1 4.17Å; L103-I105 HydrophobicContact CD2-CG1 4.31Å; L103-I105 HydrophobicContact CG-CG1 4.17Å; I105-I112 HydrophobicContact CG2-CG1 4Å; I105-I112 HydrophobicContact CG2-CG2 4.36Å; I105-V115 HydrophobicContact CD1-CB 4.29Å; I105-V115 HydrophobicContact CD1-CG1 3.56Å; I105-V115 HydrophobicContact CG1-CG1 4.07Å; I105-V115 HydrophobicContact CG2-CG1 4.39Å
106	V	91.4	Very high	90	Very high	38 Å²	38	34 Å²	34	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.2	175.2	-172.7	0	0	0	0	109.8	V53 M54 T84 H85	V53-V106 WeakPolarHBondContact O-CA 3.35Å; M54-V106 HydrophobicContact CB-CG2 4.2Å; M54-V106 HydrophobicContact CE-CG2 3.52Å; M54-V106 HydrophobicContact CG-CG2 3.98Å; T84-V106 WeakPolarHBondContact CA-O 2.93Å; T84-V106 WeakPolarHBondContact CB-O 3.45Å; H85-V106 HydrophobicContact CB-CB 4.45Å; H85-V106 PolarHBondContact N-O 2.71Å; H85-V106 PolarHBondContact O-N 2.98Å
107	G	91.5	Very high	90.5	Very high	8 Å²	8	36.3 Å²	36.3	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166	-166.3	175.9	0	0	0	0	0	113.6	S52 V53	S52-G107 CarbonylContact C-O 3.53Å; S52-G107 WeakPolarHBondContact CA-O 3.38Å; V53-G107 PolarHBondContact N-O 2.78Å; V53-G107 PolarHBondContact O-N 3.42Å; V53-G107 VanDerWaalsContact O-N 3.1Å
108	A	91.8	Very high	91.3	Very high	42 Å²	42	36.3 Å²	36.3	35%	0.347	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.2	176.8	0	0	0	0	0	111.4	A110 A111 I112	A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.85Å; A108-A110 VanDerWaalsContact O-N 3.13Å; A108-A111 WeakPolarHBondContact O-CB 3.48Å; A108-A111 PolarHBondContact O-N 2.98Å; A108-I112 PolarHBondContact O-N 3.37Å; A108-I112 VanDerWaalsContact O-N 3.16Å
109	K	89.8	Confident	91.8	Very high	96 Å²	96	34.3 Å²	34.3	42%	0.417	19%	0.194	S	C	.	.	H	α-helix	trans	-45.5	-45.7	-176.5	54.7	-162.6	172.2	-165	0	115.4	E51 A111 I112 V113	E51-K109 IonicContact OE2-NZ 3.47Å; E51-K109 PolarHBondContact OE2-NZ 2.9Å; K109-A111 PolarHBondContact O-N 3.11Å; K109-I112 PolarHBondContact O-N 2.71Å; K109-V113 PolarHBondContact O-N 2.95Å
110	A	91.6	Very high	92	Very high	77 Å²	77	30.8 Å²	30.8	64%	0.636	17%	0.169	S	C	*	.	H	α-helix	trans	-62.7	-41.1	178.1	0	0	0	0	0	113.3	A108 I112 V113 E114	A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.85Å; A108-A110 VanDerWaalsContact O-N 3.13Å; A110-I112 VanDerWaalsContact C-N 3.33Å; A110-I112 PolarHBondContact O-N 3.01Å; A110-V113 PolarHBondContact O-N 3.19Å; A110-E114 PolarHBondContact O-N 2.91Å
111	A	93.5	Very high	92.1	Very high	14 Å²	14	32.2 Å²	32.2	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-69.8	-30.9	178.8	0	0	0	0	0	112.3	T82 T84 A108 K109 E114 V115	T82-A111 VanDerWaalsContact O-CB 3.28Å; T82-A111 WeakPolarHBondContact O-CB 3.31Å; T84-A111 HydrophobicContact CG2-CB 3.58Å; A108-A111 WeakPolarHBondContact O-CB 3.48Å; A108-A111 PolarHBondContact O-N 2.98Å; K109-A111 PolarHBondContact O-N 3.11Å; A111-E114 PolarHBondContact O-N 3.26Å; A111-V115 WeakPolarHBondContact O-CG2 3.36Å; A111-V115 PolarHBondContact O-N 2.72Å; A111-V115 VanDerWaalsContact O-N 3.08Å
112	I	92.9	Very high	91.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-39.3	173.5	-60.3	176.6	0	0	0	111	V53 V55 I105 A108 K109 A110 E114 V115 C116 L226	V53-I112 HydrophobicContact CB-CD1 3.93Å; V53-I112 WeakPolarHBondContact O-CD1 3.41Å; V55-I112 HydrophobicContact CB-CG2 4.33Å; V55-I112 HydrophobicContact CG2-CD1 4.02Å; V55-I112 HydrophobicContact CG2-CG2 4.07Å; I105-I112 HydrophobicContact CG2-CG1 4Å; I105-I112 HydrophobicContact CG2-CG2 4.36Å; A108-I112 PolarHBondContact O-N 3.37Å; A108-I112 VanDerWaalsContact O-N 3.16Å; K109-I112 PolarHBondContact O-N 2.71Å; A110-I112 VanDerWaalsContact C-N 3.33Å; A110-I112 PolarHBondContact O-N 3.01Å; I112-E114 VanDerWaalsContact C-N 3.3Å; I112-E114 PolarHBondContact O-N 2.84Å; I112-V115 PolarHBondContact O-N 2.78Å; I112-C116 WeakPolarHBondContact O-CB 3.31Å; I112-C116 PolarHBondContact O-N 3.11Å; I112-C116 PolarHBondContact O-SG 3.02Å; I112-C116 VanDerWaalsContact O-SG 3.38Å; I112-L226 HydrophobicContact CB-CD1 4.31Å; I112-L226 HydrophobicContact CG2-CD1 4.08Å; I112-L226 HydrophobicContact CG2-CD2 4.11Å
113	V	92.8	Very high	91.6	Very high	30 Å²	30	33 Å²	33	18%	0.182	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-41.1	174.9	177	0	0	0	0	111.1	K109 A110 C116 K117 L219 L222 L226	K109-V113 PolarHBondContact O-N 2.95Å; A110-V113 PolarHBondContact O-N 3.19Å; V113-C116 PolarHBondContact O-N 3.3Å; V113-K117 WeakPolarHBondContact O-CB 3.37Å; V113-K117 PolarHBondContact O-N 2.96Å; V113-L219 HydrophobicContact CG1-CD2 4.24Å; V113-L222 HydrophobicContact CG2-CD2 4.38Å; V113-L226 HydrophobicContact CG2-CD1 3.53Å
114	E	93.1	Very high	91.2	Very high	116 Å²	116	37.4 Å²	37.4	54%	0.542	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-46.3	176.6	-174.3	168	-148.6	0	0	112.6	T82 A110 A111 I112 C116 K117 F118	T82-E114 HydrophobicContact CG2-CB 4.39Å; T82-E114 HydrophobicContact CG2-CG 4.05Å; A110-E114 PolarHBondContact O-N 2.91Å; A111-E114 PolarHBondContact O-N 3.26Å; I112-E114 VanDerWaalsContact C-N 3.3Å; I112-E114 PolarHBondContact O-N 2.84Å; E114-C116 PolarHBondContact O-N 2.77Å; E114-K117 PolarHBondContact O-N 3.02Å; E114-F118 PolarHBondContact O-N 3.15Å
115	V	94.1	Very high	90.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-45	173.7	175.7	0	0	0	0	111.4	L78 T82 T84 I86 I105 A111 I112 K117 F118 V119	L78-V115 HydrophobicContact CD1-CG2 4.48Å; L78-V115 HydrophobicContact CD2-CG1 4.17Å; L78-V115 HydrophobicContact CD2-CG2 4.48Å; L78-V115 HydrophobicContact CG-CG2 4.29Å; T82-V115 HydrophobicContact CG2-CG2 3.89Å; T84-V115 HydrophobicContact CG2-CG2 4.33Å; I86-V115 HydrophobicContact CD1-CB 4.48Å; I86-V115 HydrophobicContact CD1-CG1 3.76Å; I86-V115 HydrophobicContact CD1-CG2 3.78Å; I86-V115 HydrophobicContact CG1-CG1 4.47Å; I105-V115 HydrophobicContact CD1-CB 4.29Å; I105-V115 HydrophobicContact CD1-CG1 3.56Å; I105-V115 HydrophobicContact CG1-CG1 4.07Å; I105-V115 HydrophobicContact CG2-CG1 4.39Å; A111-V115 WeakPolarHBondContact O-CG2 3.36Å; A111-V115 PolarHBondContact O-N 2.72Å; A111-V115 VanDerWaalsContact O-N 3.08Å; I112-V115 PolarHBondContact O-N 2.78Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 3.4Å; V115-F118 PolarHBondContact O-N 2.99Å; V115-V119 WeakPolarHBondContact O-CG2 3.21Å; V115-V119 PolarHBondContact O-N 3.28Å
116	C	92.6	Very high	89.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-35.2	178.4	-74.6	0	0	0	0	112.7	I112 V113 E114 V119 A120 M164 L222	I112-C116 WeakPolarHBondContact O-CB 3.31Å; I112-C116 PolarHBondContact O-N 3.11Å; I112-C116 PolarHBondContact O-SG 3.02Å; I112-C116 VanDerWaalsContact O-SG 3.38Å; V113-C116 PolarHBondContact O-N 3.3Å; E114-C116 PolarHBondContact O-N 2.77Å; C116-V119 PolarHBondContact O-N 2.8Å; C116-A120 WeakPolarHBondContact O-CB 3.48Å; C116-A120 PolarHBondContact O-N 2.86Å; C116-M164 HydrophobicContact CB-CE 4.4Å; C116-L222 HydrophobicContact CB-CD2 3.38Å
117	K	93.1	Very high	88.6	Confident	95 Å²	95	48.2 Å²	48.2	41%	0.413	25%	0.254	S	S	.	.	H	α-helix	trans	-62.7	-50	172.4	-179	178.2	177.8	-178.7	0	111.3	V113 E114 V115 V119 A120 D121 L219	V113-K117 WeakPolarHBondContact O-CB 3.37Å; V113-K117 PolarHBondContact O-N 2.96Å; E114-K117 PolarHBondContact O-N 3.02Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 3.4Å; K117-V119 VanDerWaalsContact C-N 3.28Å; K117-V119 PolarHBondContact O-N 3.43Å; K117-A120 WeakPolarHBondContact O-CA 3.41Å; K117-A120 WeakPolarHBondContact O-CB 3.45Å; K117-A120 PolarHBondContact O-N 3.31Å; K117-D121 PolarHBondContact O-N 3.41Å; K117-L219 HydrophobicContact CB-CD1 4.29Å; K117-L219 HydrophobicContact CB-CD2 3.89Å; K117-L219 HydrophobicContact CD-CD1 4.02Å; K117-L219 HydrophobicContact CG-CD1 4.03Å; K117-L219 HydrophobicContact CG-CD2 4.48Å
118	F	92.8	Very high	86.9	Confident	71 Å²	71	51.8 Å²	51.8	31%	0.311	27%	0.27	S	S	.	.	H	α-helix	trans	-56.8	-41.8	176.7	175.9	-95.4	0	0	0	112.2	T74 L78 E114 V115 T122	T74-F118 HydrophobicContact CG2-CE1 4.16Å; T74-F118 HydrophobicContact CG2-CZ 3.59Å; L78-F118 HydrophobicContact CD1-CB 4.34Å; L78-F118 HydrophobicContact CD1-CD1 4.44Å; L78-F118 HydrophobicContact CD1-CG 4.27Å; L78-F118 HydrophobicContact CD2-CD1 3.55Å; L78-F118 HydrophobicContact CD2-CE1 4.04Å; L78-F118 HydrophobicContact CD2-CG 4.18Å; E114-F118 PolarHBondContact O-N 3.15Å; V115-F118 PolarHBondContact O-N 2.99Å; F118-T122 WeakPolarHBondContact O-CB 3.36Å; F118-T122 PolarHBondContact O-N 3.5Å; F118-T122 PolarHBondContact O-OG1 3.04Å
119	V	92.1	Very high	85.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-40.3	174.7	173.7	0	0	0	0	111.6	L57 V59 I67 L103 V115 C116 K117 T122 I123	L57-V119 HydrophobicContact CD2-CB 4.06Å; L57-V119 HydrophobicContact CD2-CG1 3.61Å; L57-V119 HydrophobicContact CD2-CG2 4.36Å; V59-V119 HydrophobicContact CG2-CG1 4.26Å; I67-V119 HydrophobicContact CD1-CB 4.45Å; I67-V119 HydrophobicContact CD1-CG1 3.86Å; I67-V119 HydrophobicContact CD1-CG2 4.11Å; I67-V119 HydrophobicContact CG1-CG2 4.4Å; I67-V119 HydrophobicContact CG2-CG2 4.26Å; L103-V119 HydrophobicContact CD2-CG2 3.8Å; V115-V119 WeakPolarHBondContact O-CG2 3.21Å; V115-V119 PolarHBondContact O-N 3.28Å; C116-V119 PolarHBondContact O-N 2.8Å; K117-V119 VanDerWaalsContact C-N 3.28Å; K117-V119 PolarHBondContact O-N 3.43Å; V119-T122 PolarHBondContact O-N 2.92Å; V119-I123 HydrophobicContact CG1-CD1 3.86Å; V119-I123 HydrophobicContact CG1-CG1 4.36Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.42Å; V119-I123 PolarHBondContact O-N 2.9Å
120	A	89.6	Confident	83.1	Confident	4 Å²	4	55 Å²	55	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-47.9	177.8	0	0	0	0	0	112.3	C116 K117 T122 I123 K124 F162 M164	C116-A120 WeakPolarHBondContact O-CB 3.48Å; C116-A120 PolarHBondContact O-N 2.86Å; K117-A120 WeakPolarHBondContact O-CA 3.41Å; K117-A120 WeakPolarHBondContact O-CB 3.45Å; K117-A120 PolarHBondContact O-N 3.31Å; A120-T122 VanDerWaalsContact C-N 3.33Å; A120-T122 PolarHBondContact O-N 3.1Å; A120-I123 PolarHBondContact O-N 2.95Å; A120-K124 WeakPolarHBondContact O-CB 3.35Å; A120-K124 PolarHBondContact O-N 3.19Å; A120-F162 HydrophobicContact CB-CE1 4.42Å; A120-F162 HydrophobicContact CB-CZ 3.9Å; A120-F162 WeakPolarHBondContact O-CE2 3.42Å; A120-F162 WeakPolarHBondContact O-CZ 3.35Å; A120-M164 HydrophobicContact CB-CE 3.98Å
121	D	89.6	Confident	81.1	Confident	49 Å²	49	54.8 Å²	54.8	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-41.5	174.6	-75.8	-48.2	0	0	0	111.2	K117 I123 K124 D125	K117-D121 PolarHBondContact O-N 3.41Å; D121-I123 VanDerWaalsContact C-N 3.33Å; D121-I123 PolarHBondContact O-N 3.36Å; D121-K124 WeakPolarHBondContact O-CB 3.18Å; D121-K124 PolarHBondContact O-N 3.12Å; D121-K124 IonicContact OD1-NZ 2.76Å; D121-D125 PolarHBondContact O-N 2.92Å
122	T	88.1	Confident	78.8	Confident	19 Å²	19	59.9 Å²	59.9	12%	0.117	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-32	177.1	-51.5	0	0	0	0	113.4	V63 A66 I67 F118 V119 A120	V63-T122 HydrophobicContact CG1-CG2 3.93Å; A66-T122 HydrophobicContact CB-CG2 3.64Å; I67-T122 HydrophobicContact CG1-CG2 3.79Å; F118-T122 WeakPolarHBondContact O-CB 3.36Å; F118-T122 PolarHBondContact O-N 3.5Å; F118-T122 PolarHBondContact O-OG1 3.04Å; V119-T122 PolarHBondContact O-N 2.92Å; A120-T122 VanDerWaalsContact C-N 3.33Å; A120-T122 PolarHBondContact O-N 3.1Å
123	I	85.9	Confident	76.4	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.138	33%	0.334	C	S	.	.	H	α-helix	trans	-69	-47.1	172	-68.5	165.1	0	0	0	110	V63 V119 A120 D121 K126 H127 F162	V63-I123 HydrophobicContact CB-CG1 4.41Å; V63-I123 HydrophobicContact CG1-CG1 3.83Å; V63-I123 HydrophobicContact CG2-CG1 4.2Å; V119-I123 HydrophobicContact CG1-CD1 3.86Å; V119-I123 HydrophobicContact CG1-CG1 4.36Å; V119-I123 VanDerWaalsContact O-CG1 3.28Å; V119-I123 WeakPolarHBondContact O-CG1 3.42Å; V119-I123 PolarHBondContact O-N 2.9Å; A120-I123 PolarHBondContact O-N 2.95Å; D121-I123 VanDerWaalsContact C-N 3.33Å; D121-I123 PolarHBondContact O-N 3.36Å; I123-K126 PolarHBondContact O-N 3.28Å; I123-H127 PolarHBondContact O-N 3.21Å; I123-F162 HydrophobicContact CB-CE2 4.02Å; I123-F162 HydrophobicContact CB-CZ 4.31Å; I123-F162 HydrophobicContact CG2-CD2 4.43Å; I123-F162 HydrophobicContact CG2-CE2 3.74Å; I123-F162 HydrophobicContact CG2-CZ 4.26Å
124	K	83.3	Confident	74	Confident	93 Å²	93	70.9 Å²	70.9	40%	0.404	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-47.8	-176.4	-177.7	-178.5	175.5	-172.4	0	112.1	A120 D121 K126 H127 N128 F162 M215	A120-K124 WeakPolarHBondContact O-CB 3.35Å; A120-K124 PolarHBondContact O-N 3.19Å; D121-K124 WeakPolarHBondContact O-CB 3.18Å; D121-K124 PolarHBondContact O-N 3.12Å; D121-K124 IonicContact OD1-NZ 2.76Å; K124-K126 PolarHBondContact O-N 3.29Å; K124-H127 PolarHBondContact O-N 3.44Å; K124-N128 WeakPolarHBondContact O-CB 3.2Å; K124-N128 PolarHBondContact O-N 2.92Å; K124-N128 VanDerWaalsContact O-N 3.08Å; K124-F162 HydrophobicContact CB-CD2 4.25Å; K124-F162 HydrophobicContact CB-CE2 3.78Å; K124-M215 HydrophobicContact CD-SD 4.2Å; K124-M215 PolarHBondContact NZ-SD 3.11Å
125	D	81.8	Confident	71.7	Confident	106 Å²	106	72.6 Å²	72.6	57%	0.567	37%	0.367	S	S	*	.	H	α-helix	trans	-62.1	-42.4	177.9	-80.4	-13.6	0	0	0	112.1	D121 N128 L129	D121-D125 PolarHBondContact O-N 2.92Å; D125-N128 WeakPolarHBondContact O-CB 3.47Å; D125-N128 PolarHBondContact O-N 3.43Å; D125-L129 WeakPolarHBondContact O-CG 3.46Å; D125-L129 PolarHBondContact O-N 3.01Å
126	K	72	Confident	69.2	Low	60 Å²	60	82.2 Å²	82.2	26%	0.261	41%	0.409	S	S	.	.	H	α-helix	trans	-71.8	-34.7	178.9	-85.1	-177.5	165.3	-177.2	0	113.6	A62 V63 A66 I123 K124 N128 L129 N130	A62-K126 PolarHBondContact O-NZ 2.88Å; V63-K126 HydrophobicContact CB-CD 4.33Å; V63-K126 HydrophobicContact CG1-CD 4.27Å; V63-K126 HydrophobicContact CG2-CB 4.36Å; V63-K126 HydrophobicContact CG2-CD 4.29Å; V63-K126 PolarHBondContact O-NZ 2.78Å; V63-K126 VanDerWaalsContact O-NZ 3.1Å; A66-K126 HydrophobicContact CB-CD 4.31Å; A66-K126 VanDerWaalsContact CB-NZ 3.34Å; I123-K126 PolarHBondContact O-N 3.28Å; K124-K126 PolarHBondContact O-N 3.29Å; K126-N128 VanDerWaalsContact C-N 3.28Å; K126-N128 PolarHBondContact O-N 2.91Å; K126-L129 PolarHBondContact O-N 3.33Å; K126-N130 PolarHBondContact O-N 3.32Å
127	H	67.6	Low	66.7	Low	104 Å²	104	88.2 Å²	88.2	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-60.7	-43.4	171.5	-158.6	-98.5	0	0	0	110.6	I123 K124 L129 N130 S131	I123-H127 PolarHBondContact O-N 3.21Å; K124-H127 PolarHBondContact O-N 3.44Å; H127-L129 VanDerWaalsContact C-N 3.32Å; H127-L129 PolarHBondContact O-N 2.91Å; H127-N130 PolarHBondContact O-N 2.91Å; H127-S131 PolarHBondContact O-N 3.49Å; H127-S131 PolarHBondContact O-OG 3.47Å
128	N	57.5	Low	64.2	Low	82 Å²	82	93.2 Å²	93.2	44%	0.439	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-33.2	176.6	-161.2	-77.8	0	0	0	113.2	K124 D125 K126 K132	K124-N128 WeakPolarHBondContact O-CB 3.2Å; K124-N128 PolarHBondContact O-N 2.92Å; K124-N128 VanDerWaalsContact O-N 3.08Å; D125-N128 WeakPolarHBondContact O-CB 3.47Å; D125-N128 PolarHBondContact O-N 3.43Å; K126-N128 VanDerWaalsContact C-N 3.28Å; K126-N128 PolarHBondContact O-N 2.91Å; N128-K132 WeakPolarHBondContact O-CD 3.12Å; N128-K132 WeakPolarHBondContact O-CG 3.38Å; N128-K132 PolarHBondContact O-N 3.08Å; N128-K132 WeakPolarHBondContact OD1-CE 3.32Å; N128-K132 PolarHBondContact OD1-NZ 2.64Å
129	L	52.6	Low	61.6	Low	96 Å²	96	98.3 Å²	98.3	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-72	-36.3	176.3	-72.9	173.7	0	0	0	113.5	D125 K126 H127 K132 N133	D125-L129 WeakPolarHBondContact O-CG 3.46Å; D125-L129 PolarHBondContact O-N 3.01Å; K126-L129 PolarHBondContact O-N 3.33Å; H127-L129 VanDerWaalsContact C-N 3.32Å; H127-L129 PolarHBondContact O-N 2.91Å; L129-K132 HydrophobicContact CD2-CD 4.25Å; L129-K132 PolarHBondContact O-N 3.07Å; L129-K132 VanDerWaalsContact O-N 3.17Å; L129-N133 PolarHBondContact O-N 3.48Å
130	N	48.5	Very low	59.3	Low	110 Å²	110	105.1 Å²	105.1	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-60.5	-48.7	172.8	-82.2	24.9	0	0	0	110.5	K126 H127 K132 N133 D134	K126-N130 PolarHBondContact O-N 3.32Å; H127-N130 PolarHBondContact O-N 2.91Å; N130-K132 PolarHBondContact O-N 3.39Å; N130-N133 PolarHBondContact O-N 3.48Å; N130-D134 PolarHBondContact O-N 2.84Å
131	S	50.3	Low	57.1	Low	72 Å²	72	109.5 Å²	109.5	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-61.3	-14.4	176.7	-49.5	0	0	0	0	114.8	H127	H127-S131 PolarHBondContact O-N 3.49Å; H127-S131 PolarHBondContact O-OG 3.47Å
132	K	44.9	Very low	54.9	Low	121 Å²	121	114.5 Å²	114.5	53%	0.526	57%	0.57	S	S	.	*	H	α-helix	trans	-88.5	-25.4	175.8	-80	163.9	171	159.4	0	113.4	N128 L129 N130	N128-K132 WeakPolarHBondContact O-CD 3.12Å; N128-K132 WeakPolarHBondContact O-CG 3.38Å; N128-K132 PolarHBondContact O-N 3.08Å; N128-K132 WeakPolarHBondContact OD1-CE 3.32Å; N128-K132 PolarHBondContact OD1-NZ 2.64Å; L129-K132 HydrophobicContact CD2-CD 4.25Å; L129-K132 PolarHBondContact O-N 3.07Å; L129-K132 VanDerWaalsContact O-N 3.17Å; N130-K132 PolarHBondContact O-N 3.39Å
133	N	43	Very low	53.1	Low	137 Å²	137	123.5 Å²	123.5	73%	0.733	60%	0.601	S	S	*	*	H	α-helix	trans	-84.9	-30.5	177.5	-77.3	-3.9	0	0	0	112.5	L129 N130 M135	L129-N133 PolarHBondContact O-N 3.48Å; N130-N133 PolarHBondContact O-N 3.48Å; N133-M135 PolarHBondContact O-N 2.85Å; N133-M135 VanDerWaalsContact O-N 3.1Å
134	D	41.7	Very low	50.8	Low	125 Å²	125	127.2 Å²	127.2	67%	0.668	64%	0.636	S	S	*	*			trans	-78.6	13.5	179.2	-61.8	-28.6	0	0	0	113.8	N130 F136	N130-D134 PolarHBondContact O-N 2.84Å; D134-F136 PolarHBondContact O-N 2.99Å
135	M	44.1	Very low	48.9	Very low	151 Å²	151	127.4 Å²	127.4	74%	0.744	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	5.1	179.3	-165.7	60.2	65.1	0	0	114.1	N133	N133-M135 PolarHBondContact O-N 2.85Å; N133-M135 VanDerWaalsContact O-N 3.1Å
136	F	41.9	Very low	47.3	Very low	203 Å²	203	127.4 Å²	127.4	89%	0.89	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	2.4	-176.2	-139.2	-93.9	0	0	0	115.8	D134	D134-F136 PolarHBondContact O-N 2.99Å
137	D	39.5	Very low	45.9	Very low	127 Å²	127	133.5 Å²	133.5	68%	0.679	69%	0.688	S	S	*	*			trans	-140.4	45.7	176.4	-154.6	10	0	0	0	115.9	R139	D137-R139 PolarHBondContact O-N 3.4Å
138	F	42.3	Very low	44.6	Very low	200 Å²	200	136.2 Å²	136.2	88%	0.877	71%	0.706	S	S	*	*			trans	-81.5	50.3	164.4	-153.1	-98.2	0	0	0	112.1	Q140	F138-Q140 PolarHBondContact O-N 3.38Å
139	R	37.3	Very low	44.1	Very low	177 Å²	177	136.7 Å²	136.7	67%	0.668	71%	0.712	S	S	*	*			trans	-92.1	98.3	175.9	-71.6	-160.1	64.4	137.6	2.2	112.1	D137 S141	D137-R139 PolarHBondContact O-N 3.4Å; R139-S141 PolarHBondContact O-N 2.93Å; R139-S141 VanDerWaalsContact O-N 3.1Å
140	Q	44.8	Very low	43.5	Very low	144 Å²	144	138.2 Å²	138.2	67%	0.673	72%	0.72	S	S	*	*	S	Bend		80.9	-6.6	129.5	-154.5	162	1	0	0	119	F138	F138-Q140 PolarHBondContact O-N 3.38Å
141	S	43	Very low	43.6	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	72%	0.724	S	S	*	*	S	Bend	trans	-78.1	-77.6	-177	-52.3	0	0	0	0	116.1	R139 R143	R139-S141 PolarHBondContact O-N 2.93Å; R139-S141 VanDerWaalsContact O-N 3.1Å; S141-R143 PolarHBondContact O-N 2.85Å
142	D	43.9	Very low	43.3	Very low	155 Å²	155	142 Å²	142	83%	0.829	74%	0.737	S	S	*	*			trans	-93.2	50.5	-156.5	-60.5	-70.9	0	0	0	115.5	A144	D142-A144 VanDerWaalsContact C-N 3.35Å; D142-A144 PolarHBondContact O-N 3.39Å
143	R	48.2	Very low	43.2	Very low	208 Å²	208	137.9 Å²	137.9	79%	0.785	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	1.8	-169.8	-127.8	177	-169.5	150.9	6.5	116.5	S141	S141-R143 PolarHBondContact O-N 2.85Å
144	A	39.3	Very low	43.1	Very low	105 Å²	105	138.1 Å²	138.1	87%	0.868	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-7.7	-163	0	0	0	0	0	116.6	D142	D142-A144 VanDerWaalsContact C-N 3.35Å; D142-A144 PolarHBondContact O-N 3.39Å
145	A	42.6	Very low	43.1	Very low	96 Å²	96	136.7 Å²	136.7	79%	0.793	71%	0.713	S	S	*	*	S	Bend	trans	-113.6	0.6	-169.7	0	0	0	0	0	115.6
146	V	49.1	Very low	42.8	Very low	106 Å²	106	135.6 Å²	135.6	64%	0.642	70%	0.704	S	S	*	*			trans	-130	59.4	-162.6	-162.8	0	0	0	0	112.6
147	E	41.6	Very low	43	Very low	189 Å²	189	129.6 Å²	129.6	88%	0.883	68%	0.681	S	S	*	*	S	Bend	trans	-113.1	-5.8	179.9	-68.1	-150.2	128	0	0	115.8
148	N	39.6	Very low	43.2	Very low	160 Å²	160	126.9 Å²	126.9	86%	0.856	67%	0.671	S	S	*	*	S	Bend	trans	-141.1	46.2	-166.2	-155.9	13.8	0	0	0	115.6
149	V	48.7	Very low	43.5	Very low	93 Å²	93	119.4 Å²	119.4	56%	0.564	64%	0.642	S	S	*	*			trans	-134.5	137.6	172.8	-129.5	0	0	0	0	111.8	S153	V149-S153 VanDerWaalsContact CG1-CB 3.4Å
150	N	39.7	Very low	44.1	Very low	128 Å²	128	114.2 Å²	114.2	68%	0.684	63%	0.627	S	S	*	*			trans	-63.8	156.7	-175.3	-65.6	-56.2	0	0	0	112.2	H152 S153 F154	N150-H152 PolarHBondContact O-N 3.02Å; N150-H152 VanDerWaalsContact O-N 3.1Å; N150-S153 WeakPolarHBondContact O-CA 3.45Å; N150-S153 VanDerWaalsContact O-CB 3.27Å; N150-S153 WeakPolarHBondContact O-CB 3.37Å; N150-S153 PolarHBondContact O-N 2.97Å; N150-F154 PolarHBondContact O-N 2.78Å
151	S	49.7	Very low	44.9	Very low	95 Å²	95	111.6 Å²	111.6	66%	0.664	62%	0.618	S	S	*	*	H	α-helix	trans	-59.6	-26.4	180	-51.6	0	0	0	0	114.2	S153 F154	S151-S153 VanDerWaalsContact C-N 3.28Å; S151-S153 PolarHBondContact O-N 3.07Å; S151-F154 PolarHBondContact O-N 2.96Å
152	H	44.5	Very low	46.5	Very low	167 Å²	167	108.7 Å²	108.7	77%	0.773	59%	0.593	S	S	*	*	H	α-helix	trans	-61.3	-36.2	169.2	-116.7	-89.8	0	0	0	112.5	N150 V155 F156	N150-H152 PolarHBondContact O-N 3.02Å; N150-H152 VanDerWaalsContact O-N 3.1Å; H152-V155 PolarHBondContact O-N 3.45Å; H152-F156 PolarHBondContact O-N 3.13Å
153	S	43.6	Very low	48.5	Very low	33 Å²	33	105.6 Å²	105.6	23%	0.231	57%	0.573	C	S	.	*	H	α-helix	trans	-73.9	-23.1	-179.8	-56.9	0	0	0	0	113.1	V149 N150 S151 F156 I157	V149-S153 VanDerWaalsContact CG1-CB 3.4Å; N150-S153 WeakPolarHBondContact O-CA 3.45Å; N150-S153 VanDerWaalsContact O-CB 3.27Å; N150-S153 WeakPolarHBondContact O-CB 3.37Å; N150-S153 PolarHBondContact O-N 2.97Å; S151-S153 VanDerWaalsContact C-N 3.28Å; S151-S153 PolarHBondContact O-N 3.07Å; S153-F156 PolarHBondContact O-N 2.74Å; S153-I157 WeakPolarHBondContact O-CB 3.37Å; S153-I157 WeakPolarHBondContact O-CD1 3.25Å; S153-I157 WeakPolarHBondContact O-CG1 3.32Å; S153-I157 PolarHBondContact O-N 3.2Å
154	F	40.9	Very low	50.5	Low	143 Å²	143	96 Å²	96	63%	0.627	54%	0.538	S	S	*	.	H	α-helix	trans	-68.3	-40.6	172.4	-166.4	-96.5	0	0	0	111.2	N150 S151 I157 C158	N150-F154 PolarHBondContact O-N 2.78Å; S151-F154 PolarHBondContact O-N 2.96Å; F154-I157 PolarHBondContact O-N 2.94Å; F154-C158 PolarHBondContact O-N 3.07Å
155	V	40.2	Very low	53	Low	95 Å²	95	93 Å²	93	58%	0.576	51%	0.505	S	S	*	.	H	α-helix	trans	-64.5	-43.5	170.5	-176.9	0	0	0	0	110.5	H152 I157 C158 V159	H152-V155 PolarHBondContact O-N 3.45Å; V155-I157 PolarHBondContact O-N 3.21Å; V155-C158 PolarHBondContact O-N 3.36Å; V155-V159 HydrophobicContact CG1-CG2 4.46Å; V155-V159 WeakPolarHBondContact O-CG2 3.43Å; V155-V159 PolarHBondContact O-N 3.14Å
156	F	38.9	Very low	55.3	Low	127 Å²	127	88.5 Å²	88.5	56%	0.557	47%	0.467	S	S	*	.	H	α-helix	trans	-60.4	-40.3	177.6	-166.3	-109.9	0	0	0	113	H152 S153 V159 L160	H152-F156 PolarHBondContact O-N 3.13Å; S153-F156 PolarHBondContact O-N 2.74Å; F156-V159 PolarHBondContact O-N 3.03Å; F156-V159 VanDerWaalsContact O-N 3.16Å; F156-L160 HydrophobicContact CD1-CD1 3.84Å; F156-L160 HydrophobicContact CD1-CG 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.69Å; F156-L160 HydrophobicContact CE1-CD2 4.44Å; F156-L160 HydrophobicContact CE1-CG 4.18Å; F156-L160 HydrophobicContact CZ-CD1 4.49Å; F156-L160 HydrophobicContact CZ-CD2 4.47Å; F156-L160 WeakPolarHBondContact O-CG 3.24Å; F156-L160 PolarHBondContact O-N 3.41Å
157	I	45.7	Very low	57.3	Low	77 Å²	77	83.7 Å²	83.7	40%	0.395	44%	0.439	S	S	.	.	H	α-helix	trans	-60.6	-50.4	175.6	-74.1	161.2	0	0	0	110.2	S153 F154 V155 V159 L160 D161	S153-I157 WeakPolarHBondContact O-CB 3.37Å; S153-I157 WeakPolarHBondContact O-CD1 3.25Å; S153-I157 WeakPolarHBondContact O-CG1 3.32Å; S153-I157 PolarHBondContact O-N 3.2Å; F154-I157 PolarHBondContact O-N 2.94Å; V155-I157 PolarHBondContact O-N 3.21Å; I157-V159 PolarHBondContact O-N 2.92Å; I157-L160 PolarHBondContact O-N 2.95Å; I157-D161 PolarHBondContact O-N 3.23Å
158	C	42.8	Very low	59.6	Low	71 Å²	71	75.1 Å²	75.1	48%	0.48	40%	0.399	S	S	.	.	H	α-helix	trans	-66.2	-17.2	176.4	-62.6	0	0	0	0	114.2	F154 V155	F154-C158 PolarHBondContact O-N 3.07Å; V155-C158 PolarHBondContact O-N 3.36Å
159	V	49.2	Very low	62	Low	42 Å²	42	67.9 Å²	67.9	26%	0.255	36%	0.362	S	S	.	.	H	α-helix	trans	-83.8	-31.4	171.6	168.1	0	0	0	0	111.5	V155 F156 I157 D161 F162	V155-V159 HydrophobicContact CG1-CG2 4.46Å; V155-V159 WeakPolarHBondContact O-CG2 3.43Å; V155-V159 PolarHBondContact O-N 3.14Å; F156-V159 PolarHBondContact O-N 3.03Å; F156-V159 VanDerWaalsContact O-N 3.16Å; I157-V159 PolarHBondContact O-N 2.92Å; V159-D161 VanDerWaalsContact C-N 3.34Å; V159-F162 PolarHBondContact O-N 2.64Å
160	L	50	Low	63.8	Low	68 Å²	68	65 Å²	65	36%	0.356	34%	0.343	S	S	.	.	H	α-helix	trans	-72.4	-24.1	175.5	-72.1	174.5	0	0	0	113.6	F156 I157 F162 L194	F156-L160 HydrophobicContact CD1-CD1 3.84Å; F156-L160 HydrophobicContact CD1-CG 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.69Å; F156-L160 HydrophobicContact CE1-CD2 4.44Å; F156-L160 HydrophobicContact CE1-CG 4.18Å; F156-L160 HydrophobicContact CZ-CD1 4.49Å; F156-L160 HydrophobicContact CZ-CD2 4.47Å; F156-L160 WeakPolarHBondContact O-CG 3.24Å; F156-L160 PolarHBondContact O-N 3.41Å; I157-L160 PolarHBondContact O-N 2.95Å; L160-F162 PolarHBondContact O-N 3.25Å; L160-L194 HydrophobicContact CD2-CD2 4.42Å
161	D	60.9	Low	66	Low	90 Å²	90	61.1 Å²	61.1	48%	0.481	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28	173.6	-69.1	-36.3	0	0	0	112.4	I157 V159	I157-D161 PolarHBondContact O-N 3.23Å; V159-D161 VanDerWaalsContact C-N 3.34Å
162	F	77.1	Confident	68	Low	34 Å²	34	56.7 Å²	56.7	15%	0.149	30%	0.295	C	S	.	.			trans	-83.3	119.4	177.9	-167.1	-75.4	0	0	0	111.2	A120 I123 K124 V159 L160 A212 M218	A120-F162 HydrophobicContact CB-CE1 4.42Å; A120-F162 HydrophobicContact CB-CZ 3.9Å; A120-F162 WeakPolarHBondContact O-CE2 3.42Å; A120-F162 WeakPolarHBondContact O-CZ 3.35Å; I123-F162 HydrophobicContact CB-CE2 4.02Å; I123-F162 HydrophobicContact CB-CZ 4.31Å; I123-F162 HydrophobicContact CG2-CD2 4.43Å; I123-F162 HydrophobicContact CG2-CE2 3.74Å; I123-F162 HydrophobicContact CG2-CZ 4.26Å; K124-F162 HydrophobicContact CB-CD2 4.25Å; K124-F162 HydrophobicContact CB-CE2 3.78Å; V159-F162 PolarHBondContact O-N 2.64Å; L160-F162 PolarHBondContact O-N 3.25Å; F162-A212 WeakPolarHBondContact O-CA 3.35Å; F162-A212 WeakPolarHBondContact O-CB 3.36Å; F162-M218 HydrophobicContact CD1-CE 3.27Å; F162-M218 HydrophobicContact CD1-SD 3.72Å; F162-M218 HydrophobicContact CE1-CE 3.46Å; F162-M218 VanDerWaalsContact CE1-CE 3.46Å; F162-M218 HydrophobicContact CE1-SD 3.99Å; F162-M218 HydrophobicContact CG-CE 4.33Å
163	Q	87	Confident	70.2	Confident	90 Å²	90	48.8 Å²	48.8	42%	0.421	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.4	178.1	61	-176.3	-36.9	0	0	112	T210 I211 A212	Q163-T210 HydrophobicContact CB-CG2 3.92Å; Q163-T210 HydrophobicContact CG-CG2 4.43Å; Q163-I211 CarbonylContact C-O 3.59Å; Q163-I211 VanDerWaalsContact CA-O 3.3Å; Q163-I211 WeakPolarHBondContact CA-O 3.23Å; Q163-A212 HydrophobicContact CB-CB 3.89Å
164	M	89.2	Confident	72.5	Confident	8 Å²	8	49 Å²	49	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.4	169.2	-170.2	-176.2	-66.6	0	0	109.3	L57 C116 A120 T210 I211 L222	L57-M164 HydrophobicContact CD1-CG 3.58Å; L57-M164 HydrophobicContact CD1-SD 4.07Å; C116-M164 HydrophobicContact CB-CE 4.4Å; A120-M164 HydrophobicContact CB-CE 3.98Å; M164-T210 CarbonylContact O-C 3.58Å; M164-T210 WeakPolarHBondContact O-CA 3.29Å; M164-I211 PolarHBondContact N-O 3.3Å; M164-I211 PolarHBondContact O-N 3.1Å; M164-L222 HydrophobicContact SD-CD2 4.42Å
165	K	91.3	Very high	74.9	Confident	40 Å²	40	45 Å²	45	17%	0.174	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.8	-176.5	-73	172.6	179.4	172.8	0	111	L57 L58 E100 V208 V209 T210	L57-K165 WeakPolarHBondContact CD1-O 3.39Å; L58-K165 HydrophobicContact CB-CB 3.87Å; L58-K165 HydrophobicContact CB-CD 4.45Å; L58-K165 HydrophobicContact CD1-CB 4.29Å; L58-K165 HydrophobicContact CD1-CD 4.39Å; L58-K165 HydrophobicContact CG-CB 4.31Å; L58-K165 PolarHBondContact N-O 2.64Å; E100-K165 IonicContact OE1-NZ 3.26Å; E100-K165 PolarHBondContact OE1-NZ 3.4Å; E100-K165 WeakPolarHBondContact OE2-CD 3.4Å; E100-K165 IonicContact OE2-NZ 2.97Å; E100-K165 PolarHBondContact OE2-NZ 3.35Å; K165-V208 HydrophobicContact CB-CG1 4Å; K165-V208 HydrophobicContact CG-CG1 4.26Å; K165-V209 WeakPolarHBondContact CA-O 3.43Å; K165-T210 HydrophobicContact CG-CG2 4.42Å
166	I	92.2	Very high	77.4	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.7	-176.7	-51.4	172.8	0	0	0	108.7	V55 K56 L57 V168 V208 V209 I211 L222 V225	V55-I166 HydrophobicContact CG1-CG2 3.85Å; K56-I166 CarbonylContact O-C 3.52Å; K56-I166 WeakPolarHBondContact O-CA 3.46Å; K56-I166 WeakPolarHBondContact O-CG2 3.33Å; L57-I166 HydrophobicContact CD1-CG1 4.09Å; I166-V168 HydrophobicContact CG2-CG1 3.94Å; I166-V208 CarbonylContact O-C 3.59Å; I166-V208 WeakPolarHBondContact O-CA 3.4Å; I166-V209 PolarHBondContact N-O 3.22Å; I166-V209 PolarHBondContact O-N 3.48Å; I166-I211 HydrophobicContact CD1-CD1 3.76Å; I166-L222 HydrophobicContact CD1-CD1 3.53Å; I166-V225 HydrophobicContact CD1-CG1 4.42Å
167	V	90.7	Very high	80	Confident	6 Å²	6	36.7 Å²	36.7	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.3	171	-172.1	0	0	0	0	108.5	K56 L58 F95 E206 R207	K56-V167 HydrophobicContact CB-CB 3.81Å; K56-V167 HydrophobicContact CB-CG2 4.42Å; K56-V167 HydrophobicContact CD-CB 4.39Å; K56-V167 HydrophobicContact CD-CG1 4.45Å; K56-V167 PolarHBondContact O-N 2.94Å; L58-V167 HydrophobicContact CD1-CG2 4.23Å; L58-V167 HydrophobicContact CD2-CG2 3.5Å; L58-V167 HydrophobicContact CG-CG2 3.71Å; F95-V167 HydrophobicContact CD2-CG2 3.97Å; F95-V167 HydrophobicContact CE2-CG1 3.82Å; F95-V167 HydrophobicContact CE2-CG2 3.83Å; F95-V167 HydrophobicContact CZ-CG1 4.43Å; F95-V167 HydrophobicContact CZ-CG2 4.47Å; V167-E206 HydrophobicContact CG1-CB 3.78Å; V167-E206 HydrophobicContact CG1-CG 4.22Å; V167-R207 WeakPolarHBondContact CA-O 3.41Å
168	V	90.2	Very high	82.2	Confident	9 Å²	9	34 Å²	34	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.3	179.7	-55.7	0	0	0	0	110.6	I166 A173 I176 E206 R207 V209 V229	I166-V168 HydrophobicContact CG2-CG1 3.94Å; V168-A173 HydrophobicContact CG2-CB 3.93Å; V168-I176 HydrophobicContact CG1-CD1 4.3Å; V168-I176 HydrophobicContact CG2-CD1 4.38Å; V168-E206 CarbonylContact O-C 3.59Å; V168-E206 VanDerWaalsContact O-CA 3.24Å; V168-E206 WeakPolarHBondContact O-CA 3.33Å; V168-R207 PolarHBondContact N-O 2.86Å; V168-R207 PolarHBondContact O-N 3Å; V168-V209 HydrophobicContact CG1-CG2 4.16Å; V168-V209 HydrophobicContact CG2-CG2 3.69Å; V168-V229 HydrophobicContact CG1-CG2 4.49Å
169	A	88.4	Confident	84.6	Confident	8 Å²	8	39.4 Å²	39.4	7%	0.066	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	155.7	174.7	0	0	0	0	0	111.7	S171 T172 A173 N238	A169-S171 VanDerWaalsContact C-N 3.25Å; A169-S171 PolarHBondContact O-N 3.36Å; A169-T172 PolarHBondContact O-N 3.1Å; A169-A173 PolarHBondContact O-N 2.91Å; A169-N238 WeakPolarHBondContact CB-ND2 3.5Å
170	D	86.7	Confident	86.5	Confident	32 Å²	32	43 Å²	43	17%	0.171	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-32.6	-177.8	-152.2	1.9	0	0	0	113.3	G174 R200 S205 R207	D170-G174 PolarHBondContact O-N 2.78Å; D170-R200 IonicContact OD1-CZ 3.53Å; D170-R200 IonicContact OD1-NE 2.68Å; D170-R200 PolarHBondContact OD1-NE 3.37Å; D170-R200 IonicContact OD1-NH2 2.77Å; D170-R200 PolarHBondContact OD1-NH2 2.88Å; D170-R200 IonicContact OD2-CZ 3.12Å; D170-R200 IonicContact OD2-NE 2.72Å; D170-R200 PolarHBondContact OD2-NE 3.48Å; D170-R200 IonicContact OD2-NH2 2.84Å; D170-R200 PolarHBondContact OD2-NH2 3.37Å; D170-S205 PolarHBondContact N-O 3.41Å; D170-R207 IonicContact OD1-CZ 3.29Å; D170-R207 IonicContact OD1-NE 2.72Å; D170-R207 PolarHBondContact OD1-NE 3.05Å; D170-R207 IonicContact OD1-NH2 3.02Å; D170-R207 PolarHBondContact OD1-NH2 2.94Å
171	S	87.8	Confident	88.5	Confident	47 Å²	47	40.7 Å²	40.7	33%	0.329	24%	0.241	S	C	.	.	H	α-helix	trans	-65.6	-48.5	170.4	51.7	0	0	0	0	111.8	A169 A173 G174 I175 D232	A169-S171 VanDerWaalsContact C-N 3.25Å; A169-S171 PolarHBondContact O-N 3.36Å; S171-A173 PolarHBondContact O-N 3.18Å; S171-G174 WeakPolarHBondContact O-CA 3.44Å; S171-G174 PolarHBondContact O-N 2.68Å; S171-I175 PolarHBondContact O-N 3.09Å; S171-D232 VanDerWaalsContact CB-OD2 3.29Å; S171-D232 WeakPolarHBondContact CB-OD2 3.4Å; S171-D232 PolarHBondContact OG-OD2 3.27Å
172	T	90.2	Very high	90.1	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-38.4	-177.1	-37.9	0	0	0	0	111.3	A169 G174 I175 I176 V229 D232	A169-T172 PolarHBondContact O-N 3.1Å; T172-G174 VanDerWaalsContact C-N 3.28Å; T172-G174 PolarHBondContact O-N 3.46Å; T172-I175 PolarHBondContact O-N 3.39Å; T172-I175 VanDerWaalsContact O-N 3.13Å; T172-I176 HydrophobicContact CG2-CD1 4.2Å; T172-I176 VanDerWaalsContact O-CG1 3.3Å; T172-I176 WeakPolarHBondContact O-CG1 3.41Å; T172-I176 PolarHBondContact O-N 3.28Å; T172-V229 HydrophobicContact CG2-CB 4.12Å; T172-V229 HydrophobicContact CG2-CG1 4.46Å; T172-V229 HydrophobicContact CG2-CG2 3.75Å; T172-D232 VanDerWaalsContact CA-OD2 3.32Å; T172-D232 WeakPolarHBondContact CA-OD2 3.41Å; T172-D232 WeakPolarHBondContact CB-OD2 3.47Å; T172-D232 HydrophobicContact CG2-CB 4.29Å; T172-D232 PolarHBondContact N-OD2 2.63Å; T172-D232 PolarHBondContact OG1-OD2 3.07Å
173	A	91.2	Very high	91	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.1	-42.1	169.9	0	0	0	0	0	111.5	V168 A169 S171 I175 I176 I177 R207	V168-A173 HydrophobicContact CG2-CB 3.93Å; A169-A173 PolarHBondContact O-N 2.91Å; S171-A173 PolarHBondContact O-N 3.18Å; A173-I175 VanDerWaalsContact C-N 3.34Å; A173-I175 PolarHBondContact O-N 3.43Å; A173-I176 PolarHBondContact O-N 3.46Å; A173-I177 WeakPolarHBondContact O-CB 3.45Å; A173-I177 WeakPolarHBondContact O-CD1 3.39Å; A173-I177 WeakPolarHBondContact O-CG1 3.27Å; A173-I177 PolarHBondContact O-N 2.85Å; A173-R207 HydrophobicContact CB-CB 4.29Å; A173-R207 HydrophobicContact CB-CG 4.33Å
174	G	91.2	Very high	91.3	Very high	37 Å²	37	39.7 Å²	39.7	38%	0.381	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-39.1	173.8	0	0	0	0	0	113.5	D170 S171 T172 G178	D170-G174 PolarHBondContact O-N 2.78Å; S171-G174 WeakPolarHBondContact O-CA 3.44Å; S171-G174 PolarHBondContact O-N 2.68Å; T172-G174 VanDerWaalsContact C-N 3.28Å; T172-G174 PolarHBondContact O-N 3.46Å; G174-G178 PolarHBondContact O-N 2.96Å
175	I	92.3	Very high	91.5	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-70.6	-39.1	177.2	-65.8	163.1	0	0	0	111.6	S171 T172 A173 G178 K228 D232	S171-I175 PolarHBondContact O-N 3.09Å; T172-I175 PolarHBondContact O-N 3.39Å; T172-I175 VanDerWaalsContact O-N 3.13Å; A173-I175 VanDerWaalsContact C-N 3.34Å; A173-I175 PolarHBondContact O-N 3.43Å; I175-G178 PolarHBondContact O-N 2.89Å; I175-K228 HydrophobicContact CG2-CB 4.16Å; I175-K228 HydrophobicContact CG2-CD 4.27Å; I175-D232 HydrophobicContact CD1-CB 3.66Å
176	I	93	Very high	91.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-40.3	176.5	-67	161.1	0	0	0	111.3	V168 T172 A173 Q183 I184 I197 V209 V225 K228	V168-I176 HydrophobicContact CG1-CD1 4.3Å; V168-I176 HydrophobicContact CG2-CD1 4.38Å; T172-I176 HydrophobicContact CG2-CD1 4.2Å; T172-I176 VanDerWaalsContact O-CG1 3.3Å; T172-I176 WeakPolarHBondContact O-CG1 3.41Å; T172-I176 PolarHBondContact O-N 3.28Å; A173-I176 PolarHBondContact O-N 3.46Å; I176-Q183 WeakPolarHBondContact O-CB 3.39Å; I176-I184 PolarHBondContact O-N 3.33Å; I176-I184 VanDerWaalsContact O-N 3.16Å; I176-I197 HydrophobicContact CG2-CD1 4.15Å; I176-V209 HydrophobicContact CD1-CG2 4.47Å; I176-V225 HydrophobicContact CD1-CG1 3.97Å; I176-K228 HydrophobicContact CG1-CB 3.88Å; I176-K228 HydrophobicContact CG1-CG 4.29Å
177	I	93.2	Very high	91.7	Very high	47 Å²	47	47.2 Å²	47.2	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-46.6	173.9	-65.8	163.8	0	0	0	110.2	A173 G181 Q183 I184 I197	A173-I177 WeakPolarHBondContact O-CB 3.45Å; A173-I177 WeakPolarHBondContact O-CD1 3.39Å; A173-I177 WeakPolarHBondContact O-CG1 3.27Å; A173-I177 PolarHBondContact O-N 2.85Å; I177-G181 CarbonylContact O-C 3.53Å; I177-G181 VanDerWaalsContact O-C 3.28Å; I177-G181 VanDerWaalsContact O-CA 3.27Å; I177-G181 WeakPolarHBondContact O-CA 3.34Å; I177-Q183 PolarHBondContact O-N 3.24Å; I177-I184 HydrophobicContact CG2-CG2 4.27Å; I177-I184 PolarHBondContact O-N 3.48Å; I177-I197 HydrophobicContact CD1-CD1 4.21Å; I177-I197 HydrophobicContact CG1-CD1 3.69Å
178	G	91.5	Very high	91.8	Very high	20 Å²	20	50.6 Å²	50.6	21%	0.206	28%	0.283	C	S	.	.			trans	73.7	178.4	-174.6	0	0	0	0	0	113.5	G174 I175 A180 G181	G174-G178 PolarHBondContact O-N 2.96Å; I175-G178 PolarHBondContact O-N 2.89Å; G178-A180 PolarHBondContact O-N 3.2Å; G178-G181 PolarHBondContact O-N 3.41Å
179	K	92.5	Very high	92	Very high	185 Å²	185	57.1 Å²	57.1	80%	0.804	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-61	129.7	176.5	-63.1	177	-176.8	175.9	0	109	G181 E182	K179-G181 PolarHBondContact O-N 2.86Å; K179-E182 VanDerWaalsContact O-CB 3.29Å; K179-E182 WeakPolarHBondContact O-CB 3.29Å; K179-E182 PolarHBondContact O-N 2.7Å
180	A	90.8	Very high	92.2	Very high	117 Å²	117	62.7 Å²	62.7	97%	0.967	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	51.3	19.6	-178.2	0	0	0	0	0	116.5	G178 E182	G178-A180 PolarHBondContact O-N 3.2Å; A180-E182 VanDerWaalsContact C-N 3.34Å
181	G	91.5	Very high	92.5	Very high	20 Å²	20	61.8 Å²	61.8	21%	0.206	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	79	11.2	-176.3	0	0	0	0	0	115.2	I177 G178 K179 Q183 I184 K185	I177-G181 CarbonylContact O-C 3.53Å; I177-G181 VanDerWaalsContact O-C 3.28Å; I177-G181 VanDerWaalsContact O-CA 3.27Å; I177-G181 WeakPolarHBondContact O-CA 3.34Å; G178-G181 PolarHBondContact O-N 3.41Å; K179-G181 PolarHBondContact O-N 2.86Å; G181-Q183 PolarHBondContact O-N 3.34Å; G181-I184 WeakPolarHBondContact O-CG2 3.31Å; G181-K185 PolarHBondContact O-N 3.29Å
182	E	94.6	Very high	92.5	Very high	121 Å²	121	62.6 Å²	62.6	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-60.4	-43.9	-177.9	-176.4	-176.2	-160.9	0	0	112.8	K179 A180 K185 M186	K179-E182 VanDerWaalsContact O-CB 3.29Å; K179-E182 WeakPolarHBondContact O-CB 3.29Å; K179-E182 PolarHBondContact O-N 2.7Å; A180-E182 VanDerWaalsContact C-N 3.34Å; E182-K185 PolarHBondContact O-N 2.95Å; E182-M186 WeakPolarHBondContact O-CB 3.45Å; E182-M186 PolarHBondContact O-N 3.03Å
183	Q	95	Very high	92.5	Very high	47 Å²	47	62.7 Å²	62.7	22%	0.22	35%	0.35	C	S	.	.	H	α-helix	trans	-70.1	-44.8	-176.8	-65	-73.5	-58.4	0	0	111.2	I176 I177 G181 K185 M186 I187	I176-Q183 WeakPolarHBondContact O-CB 3.39Å; I177-Q183 PolarHBondContact O-N 3.24Å; G181-Q183 PolarHBondContact O-N 3.34Å; Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.37Å; Q183-M186 WeakPolarHBondContact O-CB 3.43Å; Q183-M186 PolarHBondContact O-N 3.08Å; Q183-I187 VanDerWaalsContact O-CG1 3.29Å; Q183-I187 WeakPolarHBondContact O-CG1 3.38Å; Q183-I187 PolarHBondContact O-N 3.03Å
184	I	93.9	Very high	92.3	Very high	26 Å²	26	67.4 Å²	67.4	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-33.6	175.6	-175.5	172.8	0	0	0	111.9	I176 I177 G181 K188 L195 I197	I176-I184 PolarHBondContact O-N 3.33Å; I176-I184 VanDerWaalsContact O-N 3.16Å; I177-I184 HydrophobicContact CG2-CG2 4.27Å; I177-I184 PolarHBondContact O-N 3.48Å; G181-I184 WeakPolarHBondContact O-CG2 3.31Å; I184-K188 VanDerWaalsContact O-CG 3.28Å; I184-K188 WeakPolarHBondContact O-CG 3.47Å; I184-K188 PolarHBondContact O-N 2.83Å; I184-L195 HydrophobicContact CD1-CB 4.13Å; I184-L195 HydrophobicContact CG1-CB 4.14Å; I184-L195 HydrophobicContact CG1-CD1 4.03Å; I184-I197 HydrophobicContact CD1-CD1 3.83Å; I184-I197 HydrophobicContact CD1-CG1 4.09Å
185	K	93.9	Very high	92.4	Very high	135 Å²	135	65.8 Å²	65.8	59%	0.587	36%	0.357	S	S	*	.	H	α-helix	trans	-64.4	-48.3	171.8	-170.7	-166.6	168.7	-158.2	0	110.9	G181 E182 Q183 I187 K188 E189	G181-K185 PolarHBondContact O-N 3.29Å; E182-K185 PolarHBondContact O-N 2.95Å; Q183-K185 VanDerWaalsContact C-N 3.28Å; Q183-K185 PolarHBondContact O-N 3.37Å; K185-I187 VanDerWaalsContact C-N 3.34Å; K185-I187 PolarHBondContact O-N 3.32Å; K185-K188 WeakPolarHBondContact O-CB 3.45Å; K185-K188 PolarHBondContact O-N 2.69Å; K185-E189 WeakPolarHBondContact CE-OE2 3.44Å; K185-E189 IonicContact NZ-OE2 2.82Å; K185-E189 WeakPolarHBondContact O-CB 3.4Å; K185-E189 PolarHBondContact O-N 2.95Å
186	M	94.4	Very high	92.3	Very high	70 Å²	70	68.9 Å²	68.9	35%	0.345	37%	0.368	S	S	.	.	H	α-helix	trans	-56.2	-45.5	178.9	-173	-167.6	-53	0	0	112.1	E182 Q183 E189 Q190	E182-M186 WeakPolarHBondContact O-CB 3.45Å; E182-M186 PolarHBondContact O-N 3.03Å; Q183-M186 WeakPolarHBondContact O-CB 3.43Å; Q183-M186 PolarHBondContact O-N 3.08Å; M186-E189 PolarHBondContact O-N 3.47Å; M186-Q190 HydrophobicContact CG-CG 4.45Å; M186-Q190 WeakPolarHBondContact O-CB 3.09Å; M186-Q190 VanDerWaalsContact O-CG 3.29Å; M186-Q190 WeakPolarHBondContact O-CG 3.28Å; M186-Q190 PolarHBondContact O-N 3.13Å
187	I	93.5	Very high	92.2	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-41.4	-179.9	-58.8	163.5	0	0	0	111	Q183 K185 E189 Q190 T191 L195 I224	Q183-I187 VanDerWaalsContact O-CG1 3.29Å; Q183-I187 WeakPolarHBondContact O-CG1 3.38Å; Q183-I187 PolarHBondContact O-N 3.03Å; K185-I187 VanDerWaalsContact C-N 3.34Å; K185-I187 PolarHBondContact O-N 3.32Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 3.39Å; I187-Q190 PolarHBondContact O-N 3.16Å; I187-T191 PolarHBondContact O-N 3.35Å; I187-T191 VanDerWaalsContact O-N 3.09Å; I187-T191 PolarHBondContact O-OG1 3.44Å; I187-L195 HydrophobicContact CB-CD1 3.97Å; I187-L195 HydrophobicContact CG2-CD1 3.72Å; I187-I224 HydrophobicContact CD1-CG2 4.01Å; I187-I224 HydrophobicContact CG1-CG2 3.86Å; I187-I224 HydrophobicContact CG2-CD1 4.34Å; I187-I224 HydrophobicContact CG2-CG2 4.48Å
188	K	92.5	Very high	92	Very high	78 Å²	78	70 Å²	70	34%	0.339	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-41.8	173.4	-71.9	177.3	177.3	-167.2	0	112.3	I184 K185 G192 L195	I184-K188 VanDerWaalsContact O-CG 3.28Å; I184-K188 WeakPolarHBondContact O-CG 3.47Å; I184-K188 PolarHBondContact O-N 2.83Å; K185-K188 WeakPolarHBondContact O-CB 3.45Å; K185-K188 PolarHBondContact O-N 2.69Å; K188-G192 VanDerWaalsContact O-CA 3.31Å; K188-G192 WeakPolarHBondContact O-CA 3.5Å; K188-G192 PolarHBondContact O-N 3.29Å; K188-L195 WeakPolarHBondContact CE-O 3.41Å; K188-L195 HydrophobicContact CG-CB 4.07Å; K188-L195 HydrophobicContact CG-CD1 4.22Å; K188-L195 HydrophobicContact CG-CG 4.13Å; K188-L195 PolarHBondContact NZ-O 3.48Å
189	E	93.5	Very high	91.7	Very high	146 Å²	146	76 Å²	76	68%	0.682	40%	0.399	S	S	*	.	H	α-helix	trans	-72.3	-34.9	-178.3	-164.4	166.9	157.9	0	0	112	K185 M186 I187	K185-E189 WeakPolarHBondContact CE-OE2 3.44Å; K185-E189 IonicContact NZ-OE2 2.82Å; K185-E189 WeakPolarHBondContact O-CB 3.4Å; K185-E189 PolarHBondContact O-N 2.95Å; M186-E189 PolarHBondContact O-N 3.47Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 3.39Å
190	Q	93.5	Very high	91.2	Very high	125 Å²	125	73.8 Å²	73.8	58%	0.584	39%	0.386	S	S	*	.	H	α-helix	trans	-74.9	-27.9	177	-75.5	173.1	-17.4	0	0	114.4	M186 I187	M186-Q190 HydrophobicContact CG-CG 4.45Å; M186-Q190 WeakPolarHBondContact O-CB 3.09Å; M186-Q190 VanDerWaalsContact O-CG 3.29Å; M186-Q190 WeakPolarHBondContact O-CG 3.28Å; M186-Q190 PolarHBondContact O-N 3.13Å; I187-Q190 PolarHBondContact O-N 3.16Å
191	T	91.9	Very high	90.4	Very high	12 Å²	12	72 Å²	72	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-118.1	-12.7	-172.2	61.5	0	0	0	0	114.3	I187 V193 D217 N220 A221 I224	I187-T191 PolarHBondContact O-N 3.35Å; I187-T191 VanDerWaalsContact O-N 3.09Å; I187-T191 PolarHBondContact O-OG1 3.44Å; T191-V193 PolarHBondContact O-N 3.29Å; T191-V193 WeakPolarHBondContact OG1-CG2 3.39Å; T191-D217 WeakPolarHBondContact O-CB 3.17Å; T191-N220 HydrophobicContact CG2-CB 4.15Å; T191-A221 HydrophobicContact CG2-CB 4.08Å; T191-I224 HydrophobicContact CG2-CD1 3.89Å
192	G	87.7	Confident	89.2	Confident	65 Å²	65	76.5 Å²	76.5	67%	0.67	40%	0.396	S	S	*	.			trans	73.1	-5.1	-176.6	0	0	0	0	0	115.5	K188	K188-G192 VanDerWaalsContact O-CA 3.31Å; K188-G192 WeakPolarHBondContact O-CA 3.5Å; K188-G192 PolarHBondContact O-N 3.29Å
193	V	89.9	Confident	87.8	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.024	40%	0.396	C	S	.	.			trans	-79.3	150.2	-175	-48.5	0	0	0	0	113.5	T191 L195 I211 A212 D217 M218 A221	T191-V193 PolarHBondContact O-N 3.29Å; T191-V193 WeakPolarHBondContact OG1-CG2 3.39Å; V193-L195 HydrophobicContact CG2-CD2 3.78Å; V193-L195 HydrophobicContact CG2-CG 3.86Å; V193-L195 PolarHBondContact O-N 3.24Å; V193-L195 VanDerWaalsContact O-N 3.16Å; V193-I211 HydrophobicContact CB-CG2 4.13Å; V193-I211 HydrophobicContact CG1-CG2 4.46Å; V193-I211 HydrophobicContact CG2-CG2 3.7Å; V193-A212 WeakPolarHBondContact CB-O 3.17Å; V193-D217 VanDerWaalsContact CG1-C 3.47Å; V193-D217 HydrophobicContact CG1-CB 3.56Å; V193-D217 WeakPolarHBondContact CG1-O 3.48Å; V193-M218 HydrophobicContact CG1-CG 4.17Å; V193-A221 HydrophobicContact CG1-CB 4.25Å; V193-A221 HydrophobicContact CG2-CB 3.67Å
194	L	88.7	Confident	86.7	Confident	99 Å²	99	75.2 Å²	75.2	52%	0.518	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	89.9	171.9	-175.7	67	0	0	0	110.5	L160 A212	L160-L194 HydrophobicContact CD2-CD2 4.42Å; L194-A212 HydrophobicContact CB-CB 4.4Å; L194-A212 PolarHBondContact N-O 3.43Å; L194-A212 PolarHBondContact O-N 3.26Å
195	L	91.6	Very high	86	Confident	3 Å²	3	77.3 Å²	77.3	2%	0.016	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.4	167.6	-59.3	177.7	0	0	0	111.8	I184 I187 K188 V193 T210 I211	I184-L195 HydrophobicContact CD1-CB 4.13Å; I184-L195 HydrophobicContact CG1-CB 4.14Å; I184-L195 HydrophobicContact CG1-CD1 4.03Å; I187-L195 HydrophobicContact CB-CD1 3.97Å; I187-L195 HydrophobicContact CG2-CD1 3.72Å; K188-L195 WeakPolarHBondContact CE-O 3.41Å; K188-L195 HydrophobicContact CG-CB 4.07Å; K188-L195 HydrophobicContact CG-CD1 4.22Å; K188-L195 HydrophobicContact CG-CG 4.13Å; K188-L195 PolarHBondContact NZ-O 3.48Å; V193-L195 HydrophobicContact CG2-CD2 3.78Å; V193-L195 HydrophobicContact CG2-CG 3.86Å; V193-L195 PolarHBondContact O-N 3.24Å; V193-L195 VanDerWaalsContact O-N 3.16Å; L195-T210 WeakPolarHBondContact CA-O 3.45Å; L195-I211 HydrophobicContact CD2-CB 4.04Å; L195-I211 HydrophobicContact CD2-CD1 4.25Å; L195-I211 HydrophobicContact CD2-CG1 3.69Å; L195-I211 HydrophobicContact CD2-CG2 3.78Å
196	K	91.3	Very high	85.7	Confident	125 Å²	125	71.6 Å²	71.6	54%	0.543	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.1	168.6	178	-178.3	178.8	-176.1	0	108.2	T210	K196-T210 PolarHBondContact N-O 3.19Å; K196-T210 PolarHBondContact O-N 3Å
197	I	91.8	Very high	85.4	Confident	33 Å²	33	70.1 Å²	70.1	17%	0.169	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142	176.2	-55	-176.1	0	0	0	107.8	I176 I177 I184 R207 V208 V209	I176-I197 HydrophobicContact CG2-CD1 4.15Å; I177-I197 HydrophobicContact CD1-CD1 4.21Å; I177-I197 HydrophobicContact CG1-CD1 3.69Å; I184-I197 HydrophobicContact CD1-CD1 3.83Å; I184-I197 HydrophobicContact CD1-CG1 4.09Å; I197-R207 HydrophobicContact CG2-CB 4.18Å; I197-V208 CarbonylContact C-O 3.58Å; I197-V208 WeakPolarHBondContact CA-O 3.38Å; I197-V209 HydrophobicContact CD1-CG2 4.19Å; I197-V209 HydrophobicContact CG1-CG1 4.3Å; I197-V209 HydrophobicContact CG1-CG2 4.11Å; I197-V209 HydrophobicContact CG2-CG2 4.38Å
198	S	87.8	Confident	85.3	Confident	36 Å²	36	71 Å²	71	25%	0.252	39%	0.387	S	S	.	.			trans	-62.3	165.6	174.8	70.3	0	0	0	0	112.2	R207 V208	S198-R207 WeakPolarHBondContact OG-CA 3.46Å; S198-R207 WeakPolarHBondContact OG-CB 3.44Å; S198-V208 PolarHBondContact N-O 3.16Å; S198-V208 PolarHBondContact OG-N 3.4Å
199	H	85.9	Confident	85.3	Confident	146 Å²	146	67.2 Å²	67.2	68%	0.676	37%	0.371	S	S	*	.			trans	-65.1	172.5	166.5	-158.1	68.8	0	0	0	110.7	D201	H199-D201 PolarHBondContact O-N 3.3Å
200	R	82	Confident	85.2	Confident	139 Å²	139	61.2 Å²	61.2	53%	0.525	34%	0.344	S	S	.	.			trans	-83.7	104.9	165.1	172	-177.7	-87.1	167.4	-8.6	108.1	D170	D170-R200 IonicContact OD1-CZ 3.53Å; D170-R200 IonicContact OD1-NE 2.68Å; D170-R200 PolarHBondContact OD1-NE 3.37Å; D170-R200 IonicContact OD1-NH2 2.77Å; D170-R200 PolarHBondContact OD1-NH2 2.88Å; D170-R200 IonicContact OD2-CZ 3.12Å; D170-R200 IonicContact OD2-NE 2.72Å; D170-R200 PolarHBondContact OD2-NE 3.48Å; D170-R200 IonicContact OD2-NH2 2.84Å; D170-R200 PolarHBondContact OD2-NH2 3.37Å
201	D	72.7	Confident	85.2	Confident	80 Å²	80	55.3 Å²	55.3	43%	0.428	32%	0.316	S	S	.	.			trans	-84.1	125.8	174.7	-54.6	-37.3	0	0	0	109.2	H199 S203 H204	H199-D201 PolarHBondContact O-N 3.3Å; D201-S203 PolarHBondContact O-N 3.35Å; D201-H204 PolarHBondContact O-N 2.96Å; D201-H204 VanDerWaalsContact O-O 3.14Å
202	A	66.3	Low	85.1	Confident	115 Å²	115	55 Å²	55	95%	0.95	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-10.7	-174.9	0	0	0	0	0	114.5
203	S	66.7	Low	85	Confident	82 Å²	82	52.5 Å²	52.5	57%	0.573	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.9	179.6	-174.8	0	0	0	0	113.5	D201	D201-S203 PolarHBondContact O-N 3.35Å
204	H	71.6	Confident	84.8	Confident	58 Å²	58	57.1 Å²	57.1	27%	0.269	31%	0.31	S	S	.	.			trans	-140.5	132.3	-170.8	-55.3	-61.7	0	0	0	111.9	P96 D201 E206	P96-H204 WeakPolarHBondContact CG-NE2 3.38Å; D201-H204 PolarHBondContact O-N 2.96Å; D201-H204 VanDerWaalsContact O-O 3.14Å; H204-E206 PolarHBondContact O-N 3.31Å
205	S	79.7	Confident	84.7	Confident	71 Å²	71	54.1 Å²	54.1	50%	0.497	29%	0.294	S	S	.	.	S	Bend	trans	-76.8	34.3	176.8	53.5	0	0	0	0	113.2	D170 N238	D170-S205 PolarHBondContact N-O 3.41Å; S205-N238 PolarHBondContact O-ND2 3.17Å; S205-N238 VanDerWaalsContact O-ND2 3.1Å
206	E	86.2	Confident	84.6	Confident	15 Å²	15	57.8 Å²	57.8	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	153	-169	-69	-171.7	141.1	0	0	110.8	K56 V167 V168 H204 N238 Y243	K56-E206 IonicContact NZ-OE1 2.78Å; K56-E206 PolarHBondContact NZ-OE1 3.1Å; K56-E206 IonicContact NZ-OE2 3.76Å; V167-E206 HydrophobicContact CG1-CB 3.78Å; V167-E206 HydrophobicContact CG1-CG 4.22Å; V168-E206 CarbonylContact O-C 3.59Å; V168-E206 VanDerWaalsContact O-CA 3.24Å; V168-E206 WeakPolarHBondContact O-CA 3.33Å; H204-E206 PolarHBondContact O-N 3.31Å; E206-N238 WeakPolarHBondContact CG-ND2 3.44Å; E206-N238 WeakPolarHBondContact OE1-CB 3.33Å; E206-Y243 VanDerWaalsContact OE2-CE1 3.26Å; E206-Y243 WeakPolarHBondContact OE2-CE1 3.28Å; E206-Y243 VanDerWaalsContact OE2-CZ 3.29Å; E206-Y243 PolarHBondContact OE2-OH 3.45Å
207	R	89.3	Confident	84.6	Confident	39 Å²	39	54.7 Å²	54.7	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.6	177	-58.1	-165.6	-152.7	-179.9	8.6	110.9	V167 V168 D170 A173 I197 S198	V167-R207 WeakPolarHBondContact CA-O 3.41Å; V168-R207 PolarHBondContact N-O 2.86Å; V168-R207 PolarHBondContact O-N 3Å; D170-R207 IonicContact OD1-CZ 3.29Å; D170-R207 IonicContact OD1-NE 2.72Å; D170-R207 PolarHBondContact OD1-NE 3.05Å; D170-R207 IonicContact OD1-NH2 3.02Å; D170-R207 PolarHBondContact OD1-NH2 2.94Å; A173-R207 HydrophobicContact CB-CB 4.29Å; A173-R207 HydrophobicContact CB-CG 4.33Å; I197-R207 HydrophobicContact CG2-CB 4.18Å; S198-R207 WeakPolarHBondContact OG-CA 3.46Å; S198-R207 WeakPolarHBondContact OG-CB 3.44Å
208	V	90.2	Very high	84.5	Confident	19 Å²	19	53.3 Å²	53.3	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.6	175.2	-172.8	0	0	0	0	109.2	L58 F95 K165 I166 I197 S198	L58-V208 HydrophobicContact CD1-CG1 3.94Å; L58-V208 HydrophobicContact CD1-CG2 3.97Å; F95-V208 HydrophobicContact CD1-CG2 4.37Å; F95-V208 HydrophobicContact CE1-CG2 3.62Å; F95-V208 HydrophobicContact CZ-CG2 3.79Å; K165-V208 HydrophobicContact CB-CG1 4Å; K165-V208 HydrophobicContact CG-CG1 4.26Å; I166-V208 CarbonylContact O-C 3.59Å; I166-V208 WeakPolarHBondContact O-CA 3.4Å; I197-V208 CarbonylContact C-O 3.58Å; I197-V208 WeakPolarHBondContact CA-O 3.38Å; S198-V208 PolarHBondContact N-O 3.16Å; S198-V208 PolarHBondContact OG-N 3.4Å
209	V	93.1	Very high	84.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.2	168.4	-178.2	0	0	0	0	108	K165 I166 V168 I176 I197 I211	K165-V209 WeakPolarHBondContact CA-O 3.43Å; I166-V209 PolarHBondContact N-O 3.22Å; I166-V209 PolarHBondContact O-N 3.48Å; V168-V209 HydrophobicContact CG1-CG2 4.16Å; V168-V209 HydrophobicContact CG2-CG2 3.69Å; I176-V209 HydrophobicContact CD1-CG2 4.47Å; I197-V209 HydrophobicContact CD1-CG2 4.19Å; I197-V209 HydrophobicContact CG1-CG1 4.3Å; I197-V209 HydrophobicContact CG1-CG2 4.11Å; I197-V209 HydrophobicContact CG2-CG2 4.38Å; V209-I211 HydrophobicContact CG1-CG1 4.35Å
210	T	92	Very high	85.1	Confident	20 Å²	20	49.9 Å²	49.9	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.6	173	-56.9	0	0	0	0	109.6	Q163 M164 K165 L195 K196	Q163-T210 HydrophobicContact CB-CG2 3.92Å; Q163-T210 HydrophobicContact CG-CG2 4.43Å; M164-T210 CarbonylContact O-C 3.58Å; M164-T210 WeakPolarHBondContact O-CA 3.29Å; K165-T210 HydrophobicContact CG-CG2 4.42Å; L195-T210 WeakPolarHBondContact CA-O 3.45Å; K196-T210 PolarHBondContact N-O 3.19Å; K196-T210 PolarHBondContact O-N 3Å
211	I	93.2	Very high	85.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.8	175.5	-43.4	-173.1	0	0	0	107.4	Q163 M164 I166 V193 L195 V209 M218 A221	Q163-I211 CarbonylContact C-O 3.59Å; Q163-I211 VanDerWaalsContact CA-O 3.3Å; Q163-I211 WeakPolarHBondContact CA-O 3.23Å; M164-I211 PolarHBondContact N-O 3.3Å; M164-I211 PolarHBondContact O-N 3.1Å; I166-I211 HydrophobicContact CD1-CD1 3.76Å; V193-I211 HydrophobicContact CB-CG2 4.13Å; V193-I211 HydrophobicContact CG1-CG2 4.46Å; V193-I211 HydrophobicContact CG2-CG2 3.7Å; L195-I211 HydrophobicContact CD2-CB 4.04Å; L195-I211 HydrophobicContact CD2-CD1 4.25Å; L195-I211 HydrophobicContact CD2-CG1 3.69Å; L195-I211 HydrophobicContact CD2-CG2 3.78Å; V209-I211 HydrophobicContact CG1-CG1 4.35Å; I211-M218 HydrophobicContact CG2-CB 4.19Å; I211-M218 HydrophobicContact CG2-CG 3.86Å; I211-A221 HydrophobicContact CG2-CB 4.04Å
212	A	89.4	Confident	86.6	Confident	6 Å²	6	39.4 Å²	39.4	5%	0.05	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	177.3	0	0	0	0	0	111.2	F162 Q163 V193 L194	F162-A212 WeakPolarHBondContact O-CA 3.35Å; F162-A212 WeakPolarHBondContact O-CB 3.36Å; Q163-A212 HydrophobicContact CB-CB 3.89Å; V193-A212 WeakPolarHBondContact CB-O 3.17Å; L194-A212 HydrophobicContact CB-CB 4.4Å; L194-A212 PolarHBondContact N-O 3.43Å; L194-A212 PolarHBondContact O-N 3.26Å
213	G	86	Confident	87.8	Confident	12 Å²	12	39.7 Å²	39.7	12%	0.124	22%	0.216	C	C	.	.	S	Bend	trans	159.2	-161.9	-174.4	0	0	0	0	0	113.3	M218	G213-M218 WeakPolarHBondContact O-CE 3.46Å
214	H	86.3	Confident	89	Confident	102 Å²	102	37.6 Å²	37.6	47%	0.472	20%	0.198	S	C	.	.			trans	-71.5	154.1	173.9	-162.2	-104.5	0	0	0	111.5	D216 D217 M218	H214-D216 IonicContact CE1-OD2 3.18Å; H214-D216 PolarHBondContact CE1-OD2 2.79Å; H214-D216 IonicContact ND1-OD2 2.7Å; H214-D216 PolarHBondContact ND1-OD2 3.26Å; H214-D216 PolarHBondContact O-N 2.92Å; H214-D217 HydrophobicContact CB-CB 4.35Å; H214-D217 WeakPolarHBondContact CB-OD2 3.4Å; H214-D217 PolarHBondContact O-N 3.38Å; H214-M218 WeakPolarHBondContact O-CE 3.38Å; H214-M218 WeakPolarHBondContact O-CG 3.41Å; H214-M218 PolarHBondContact O-N 3.49Å
215	M	84.7	Confident	90	Very high	36 Å²	36	34.9 Å²	34.9	18%	0.177	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-47.2	-169.9	-164.1	175.9	83	0	0	112.9	K124 M218 L219	K124-M215 HydrophobicContact CD-SD 4.2Å; K124-M215 PolarHBondContact NZ-SD 3.11Å; M215-M218 PolarHBondContact O-N 2.83Å; M215-L219 WeakPolarHBondContact O-CG 3.49Å; M215-L219 PolarHBondContact O-N 2.64Å
216	D	90	Very high	90.6	Very high	80 Å²	80	31.7 Å²	31.7	43%	0.428	16%	0.162	S	C	.	.	H	α-helix	trans	-69.3	-41.2	-179.5	-43.7	-81.4	0	0	0	111.2	H214 M218 L219 N220	H214-D216 IonicContact CE1-OD2 3.18Å; H214-D216 PolarHBondContact CE1-OD2 2.79Å; H214-D216 IonicContact ND1-OD2 2.7Å; H214-D216 PolarHBondContact ND1-OD2 3.26Å; H214-D216 PolarHBondContact O-N 2.92Å; D216-M218 VanDerWaalsContact C-N 3.32Å; D216-M218 PolarHBondContact O-N 3.38Å; D216-L219 PolarHBondContact O-N 3.29Å; D216-L219 VanDerWaalsContact O-N 3.1Å; D216-N220 VanDerWaalsContact O-CG 3.26Å; D216-N220 PolarHBondContact O-N 2.8Å; D216-N220 PolarHBondContact O-ND2 3.2Å
217	D	91.4	Very high	90.8	Very high	60 Å²	60	37.1 Å²	37.1	32%	0.321	19%	0.188	S	C	.	.	H	α-helix	trans	-61	-39.8	176.6	-62.2	-21.9	0	0	0	112.1	T191 V193 H214 N220 A221	T191-D217 WeakPolarHBondContact O-CB 3.17Å; V193-D217 VanDerWaalsContact CG1-C 3.47Å; V193-D217 HydrophobicContact CG1-CB 3.56Å; V193-D217 WeakPolarHBondContact CG1-O 3.48Å; H214-D217 HydrophobicContact CB-CB 4.35Å; H214-D217 WeakPolarHBondContact CB-OD2 3.4Å; H214-D217 PolarHBondContact O-N 3.38Å; D217-N220 PolarHBondContact O-N 3.15Å; D217-A221 WeakPolarHBondContact O-CB 3.34Å; D217-A221 PolarHBondContact O-N 3.49Å
218	M	90.5	Very high	90.8	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-32.2	174.7	-70.7	-176.9	-65.4	0	0	112.8	F162 V193 I211 G213 H214 M215 D216 L222	F162-M218 HydrophobicContact CD1-CE 3.27Å; F162-M218 HydrophobicContact CD1-SD 3.72Å; F162-M218 HydrophobicContact CE1-CE 3.46Å; F162-M218 VanDerWaalsContact CE1-CE 3.46Å; F162-M218 HydrophobicContact CE1-SD 3.99Å; F162-M218 HydrophobicContact CG-CE 4.33Å; V193-M218 HydrophobicContact CG1-CG 4.17Å; I211-M218 HydrophobicContact CG2-CB 4.19Å; I211-M218 HydrophobicContact CG2-CG 3.86Å; G213-M218 WeakPolarHBondContact O-CE 3.46Å; H214-M218 WeakPolarHBondContact O-CE 3.38Å; H214-M218 WeakPolarHBondContact O-CG 3.41Å; H214-M218 PolarHBondContact O-N 3.49Å; M215-M218 PolarHBondContact O-N 2.83Å; D216-M218 VanDerWaalsContact C-N 3.32Å; D216-M218 PolarHBondContact O-N 3.38Å; M218-L222 VanDerWaalsContact O-CB 3.23Å; M218-L222 WeakPolarHBondContact O-CB 3.29Å; M218-L222 PolarHBondContact O-N 3.47Å
219	L	91.8	Very high	90.8	Very high	25 Å²	25	37 Å²	37	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-71	-40	174	-67.9	170.2	0	0	0	111.2	V113 K117 M215 D216 L222 E223	V113-L219 HydrophobicContact CG1-CD2 4.24Å; K117-L219 HydrophobicContact CB-CD1 4.29Å; K117-L219 HydrophobicContact CB-CD2 3.89Å; K117-L219 HydrophobicContact CD-CD1 4.02Å; K117-L219 HydrophobicContact CG-CD1 4.03Å; K117-L219 HydrophobicContact CG-CD2 4.48Å; M215-L219 WeakPolarHBondContact O-CG 3.49Å; M215-L219 PolarHBondContact O-N 2.64Å; D216-L219 PolarHBondContact O-N 3.29Å; D216-L219 VanDerWaalsContact O-N 3.1Å; L219-L222 HydrophobicContact CD2-CD2 4.31Å; L219-L222 WeakPolarHBondContact O-CB 3.28Å; L219-L222 PolarHBondContact O-N 3.13Å; L219-E223 PolarHBondContact O-N 3.01Å
220	N	93.1	Very high	90.6	Very high	84 Å²	84	38.8 Å²	38.8	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-44.7	172.5	-63.4	-30.9	0	0	0	111.3	T191 D216 D217 E223 I224	T191-N220 HydrophobicContact CG2-CB 4.15Å; D216-N220 VanDerWaalsContact O-CG 3.26Å; D216-N220 PolarHBondContact O-N 2.8Å; D216-N220 PolarHBondContact O-ND2 3.2Å; D217-N220 PolarHBondContact O-N 3.15Å; N220-E223 PolarHBondContact O-N 3.09Å; N220-I224 WeakPolarHBondContact O-CG1 3.47Å; N220-I224 PolarHBondContact O-N 3.23Å
221	A	93.2	Very high	90.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-38.3	175.9	0	0	0	0	0	112.6	T191 V193 I211 D217 I224 V225	T191-A221 HydrophobicContact CG2-CB 4.08Å; V193-A221 HydrophobicContact CG1-CB 4.25Å; V193-A221 HydrophobicContact CG2-CB 3.67Å; I211-A221 HydrophobicContact CG2-CB 4.04Å; D217-A221 WeakPolarHBondContact O-CB 3.34Å; D217-A221 PolarHBondContact O-N 3.49Å; A221-I224 PolarHBondContact O-N 3.19Å; A221-V225 WeakPolarHBondContact O-CG2 3.47Å; A221-V225 PolarHBondContact O-N 2.97Å
222	L	92.9	Very high	89.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-48.4	173.2	171.2	68.5	0	0	0	110.9	V113 C116 M164 I166 M218 L219 I224 V225 L226	V113-L222 HydrophobicContact CG2-CD2 4.38Å; C116-L222 HydrophobicContact CB-CD2 3.38Å; M164-L222 HydrophobicContact SD-CD2 4.42Å; I166-L222 HydrophobicContact CD1-CD1 3.53Å; M218-L222 VanDerWaalsContact O-CB 3.23Å; M218-L222 WeakPolarHBondContact O-CB 3.29Å; M218-L222 PolarHBondContact O-N 3.47Å; L219-L222 HydrophobicContact CD2-CD2 4.31Å; L219-L222 WeakPolarHBondContact O-CB 3.28Å; L219-L222 PolarHBondContact O-N 3.13Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 3.16Å; L222-V225 CarbonylContact O-C 3.51Å; L222-V225 PolarHBondContact O-N 3.18Å; L222-V225 VanDerWaalsContact O-N 3.13Å; L222-L226 HydrophobicContact CD1-CD1 4.08Å; L222-L226 HydrophobicContact CD1-CD2 4.22Å; L222-L226 HydrophobicContact CD1-CG 3.91Å; L222-L226 HydrophobicContact CG-CD1 3.94Å; L222-L226 HydrophobicContact CG-CG 4.17Å; L222-L226 VanDerWaalsContact O-CG 3.28Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 3.39Å
223	E	92.8	Very high	89	Confident	121 Å²	121	46.9 Å²	46.9	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-59.2	-43.6	-179.4	-176	169.8	-163.2	0	0	112	L219 N220 V225 L226 Q227	L219-E223 PolarHBondContact O-N 3.01Å; N220-E223 PolarHBondContact O-N 3.09Å; E223-V225 PolarHBondContact O-N 3.16Å; E223-L226 PolarHBondContact O-N 2.93Å; E223-Q227 PolarHBondContact O-N 3.38Å
224	I	92.6	Very high	88.1	Confident	38 Å²	38	51.5 Å²	51.5	20%	0.195	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-41.9	176.1	-58	163	0	0	0	110.9	I187 T191 N220 A221 L222 Q227 K228	I187-I224 HydrophobicContact CD1-CG2 4.01Å; I187-I224 HydrophobicContact CG1-CG2 3.86Å; I187-I224 HydrophobicContact CG2-CD1 4.34Å; I187-I224 HydrophobicContact CG2-CG2 4.48Å; T191-I224 HydrophobicContact CG2-CD1 3.89Å; N220-I224 WeakPolarHBondContact O-CG1 3.47Å; N220-I224 PolarHBondContact O-N 3.23Å; A221-I224 PolarHBondContact O-N 3.19Å; L222-I224 VanDerWaalsContact C-N 3.33Å; L222-I224 PolarHBondContact O-N 3.16Å; I224-Q227 WeakPolarHBondContact O-CB 3.35Å; I224-Q227 PolarHBondContact O-N 3.47Å; I224-K228 WeakPolarHBondContact O-CG 3.17Å; I224-K228 PolarHBondContact O-N 2.94Å; I224-K228 VanDerWaalsContact O-N 3.09Å
225	V	92.6	Very high	87.1	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-44.5	174.5	166.7	0	0	0	0	111.2	I166 I176 A221 L222 E223 Q227 K228 V229	I166-V225 HydrophobicContact CD1-CG1 4.42Å; I176-V225 HydrophobicContact CD1-CG1 3.97Å; A221-V225 WeakPolarHBondContact O-CG2 3.47Å; A221-V225 PolarHBondContact O-N 2.97Å; L222-V225 CarbonylContact O-C 3.51Å; L222-V225 PolarHBondContact O-N 3.18Å; L222-V225 VanDerWaalsContact O-N 3.13Å; E223-V225 PolarHBondContact O-N 3.16Å; V225-Q227 VanDerWaalsContact C-N 3.29Å; V225-Q227 PolarHBondContact O-N 3.01Å; V225-K228 WeakPolarHBondContact O-CA 3.5Å; V225-K228 WeakPolarHBondContact O-CB 3.29Å; V225-K228 PolarHBondContact O-N 3.37Å; V225-V229 HydrophobicContact CG1-CG2 4.32Å; V225-V229 VanDerWaalsContact O-CG2 3.32Å; V225-V229 WeakPolarHBondContact O-CG2 3.35Å; V225-V229 PolarHBondContact O-N 3.04Å
226	L	91.3	Very high	85.9	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-36.7	176.3	-68.4	177.4	0	0	0	112.1	V55 I112 V113 L222 E223 K228 V229 A230	V55-L226 HydrophobicContact CG1-CD2 4.4Å; V55-L226 HydrophobicContact CG2-CD2 3.45Å; V55-L226 VanDerWaalsContact CG2-CD2 3.45Å; I112-L226 HydrophobicContact CB-CD1 4.31Å; I112-L226 HydrophobicContact CG2-CD1 4.08Å; I112-L226 HydrophobicContact CG2-CD2 4.11Å; V113-L226 HydrophobicContact CG2-CD1 3.53Å; L222-L226 HydrophobicContact CD1-CD1 4.08Å; L222-L226 HydrophobicContact CD1-CD2 4.22Å; L222-L226 HydrophobicContact CD1-CG 3.91Å; L222-L226 HydrophobicContact CG-CD1 3.94Å; L222-L226 HydrophobicContact CG-CG 4.17Å; L222-L226 VanDerWaalsContact O-CG 3.28Å; L222-L226 WeakPolarHBondContact O-CG 3.48Å; L222-L226 PolarHBondContact O-N 3.39Å; E223-L226 PolarHBondContact O-N 2.93Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-V229 PolarHBondContact O-N 3.06Å; L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.95Å
227	Q	90.7	Very high	84.1	Confident	129 Å²	129	52.4 Å²	52.4	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-64.2	-38.2	172.9	-167	-176.1	16.2	0	0	111.8	E223 I224 V225 S231	E223-Q227 PolarHBondContact O-N 3.38Å; I224-Q227 WeakPolarHBondContact O-CB 3.35Å; I224-Q227 PolarHBondContact O-N 3.47Å; V225-Q227 VanDerWaalsContact C-N 3.29Å; V225-Q227 PolarHBondContact O-N 3.01Å; Q227-S231 PolarHBondContact O-N 3.34Å; Q227-S231 VanDerWaalsContact O-N 3.15Å
228	K	90	Very high	82.4	Confident	45 Å²	45	50.9 Å²	50.9	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-67.2	-40.7	172.6	-59.3	-51.8	-173.5	177	0	112	I175 I176 I224 V225 L226 S231 D232	I175-K228 HydrophobicContact CG2-CB 4.16Å; I175-K228 HydrophobicContact CG2-CD 4.27Å; I176-K228 HydrophobicContact CG1-CB 3.88Å; I176-K228 HydrophobicContact CG1-CG 4.29Å; I224-K228 WeakPolarHBondContact O-CG 3.17Å; I224-K228 PolarHBondContact O-N 2.94Å; I224-K228 VanDerWaalsContact O-N 3.09Å; V225-K228 WeakPolarHBondContact O-CA 3.5Å; V225-K228 WeakPolarHBondContact O-CB 3.29Å; V225-K228 PolarHBondContact O-N 3.37Å; L226-K228 VanDerWaalsContact C-N 3.34Å; K228-S231 PolarHBondContact O-N 3.23Å; K228-S231 PolarHBondContact O-OG 3.47Å; K228-D232 PolarHBondContact O-N 3.25Å
229	V	89.4	Confident	80.9	Confident	10 Å²	10	52.8 Å²	52.8	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-45.3	175	180	0	0	0	0	110.8	V53 V168 T172 V225 L226 S231 D232 A235	V53-V229 HydrophobicContact CG1-CB 4.27Å; V53-V229 HydrophobicContact CG1-CG1 3.6Å; V168-V229 HydrophobicContact CG1-CG2 4.49Å; T172-V229 HydrophobicContact CG2-CB 4.12Å; T172-V229 HydrophobicContact CG2-CG1 4.46Å; T172-V229 HydrophobicContact CG2-CG2 3.75Å; V225-V229 HydrophobicContact CG1-CG2 4.32Å; V225-V229 VanDerWaalsContact O-CG2 3.32Å; V225-V229 WeakPolarHBondContact O-CG2 3.35Å; V225-V229 PolarHBondContact O-N 3.04Å; L226-V229 PolarHBondContact O-N 3.06Å; V229-S231 PolarHBondContact O-N 3.02Å; V229-D232 PolarHBondContact O-N 3.3Å; V229-D232 VanDerWaalsContact O-N 3.16Å; V229-A235 HydrophobicContact CG1-CB 3.89Å
230	A	87.9	Confident	79.3	Confident	38 Å²	38	58.2 Å²	58.2	31%	0.314	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-27.2	176.5	0	0	0	0	0	113.4	V53 L226 D232	V53-A230 HydrophobicContact CG2-CB 3.85Å; L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.95Å; A230-D232 VanDerWaalsContact C-N 3.32Å
231	S	86.7	Confident	77.7	Confident	75 Å²	75	54.9 Å²	54.9	52%	0.524	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.9	176.8	72.5	0	0	0	0	114.8	Q227 K228 V229	Q227-S231 PolarHBondContact O-N 3.34Å; Q227-S231 VanDerWaalsContact O-N 3.15Å; K228-S231 PolarHBondContact O-N 3.23Å; K228-S231 PolarHBondContact O-OG 3.47Å; V229-S231 PolarHBondContact O-N 3.02Å
232	D	83.9	Confident	76	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.053	33%	0.332	C	S	.	.			trans	-100.7	108.4	179.4	-175.1	3.1	0	0	0	111.3	S171 T172 I175 K228 V229 A230 H234 A235	S171-D232 VanDerWaalsContact CB-OD2 3.29Å; S171-D232 WeakPolarHBondContact CB-OD2 3.4Å; S171-D232 PolarHBondContact OG-OD2 3.27Å; T172-D232 VanDerWaalsContact CA-OD2 3.32Å; T172-D232 WeakPolarHBondContact CA-OD2 3.41Å; T172-D232 WeakPolarHBondContact CB-OD2 3.47Å; T172-D232 HydrophobicContact CG2-CB 4.29Å; T172-D232 PolarHBondContact N-OD2 2.63Å; T172-D232 PolarHBondContact OG1-OD2 3.07Å; I175-D232 HydrophobicContact CD1-CB 3.66Å; K228-D232 PolarHBondContact O-N 3.25Å; V229-D232 PolarHBondContact O-N 3.3Å; V229-D232 VanDerWaalsContact O-N 3.16Å; A230-D232 VanDerWaalsContact C-N 3.32Å; D232-H234 PolarHBondContact O-N 2.73Å; D232-H234 VanDerWaalsContact O-N 3.12Å; D232-H234 WeakPolarHBondContact OD1-CB 3.32Å; D232-H234 IonicContact OD1-CD2 3.22Å; D232-H234 IonicContact OD1-CG 3.62Å; D232-H234 PolarHBondContact OD1-N 3.28Å; D232-A235 HydrophobicContact CB-CB 4.28Å; D232-A235 WeakPolarHBondContact O-CB 3.41Å; D232-A235 PolarHBondContact O-N 3.47Å; D232-A235 VanDerWaalsContact O-N 3.07Å
233	P	70.4	Confident	74.8	Confident	111 Å²	111	59.9 Å²	59.9	72%	0.721	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	177.6	28.2	-35.2	0	0	0	113.1
234	H	67.8	Low	72.9	Confident	110 Å²	110	56.9 Å²	56.9	51%	0.509	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.2	176.5	-62.2	-74.2	0	0	0	113.7	D232 M236 T237	D232-H234 PolarHBondContact O-N 2.73Å; D232-H234 VanDerWaalsContact O-N 3.12Å; D232-H234 WeakPolarHBondContact OD1-CB 3.32Å; D232-H234 IonicContact OD1-CD2 3.22Å; D232-H234 IonicContact OD1-CG 3.62Å; D232-H234 PolarHBondContact OD1-N 3.28Å; H234-M236 PolarHBondContact O-N 3.02Å; H234-T237 PolarHBondContact O-N 3.39Å; H234-T237 VanDerWaalsContact O-N 3.15Å; H234-T237 PolarHBondContact O-OG1 3.34Å
235	A	64.6	Low	70.6	Confident	22 Å²	22	60 Å²	60	18%	0.182	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-56.9	-28.6	179.5	0	0	0	0	0	113.3	V229 D232	V229-A235 HydrophobicContact CG1-CB 3.89Å; D232-A235 HydrophobicContact CB-CB 4.28Å; D232-A235 WeakPolarHBondContact O-CB 3.41Å; D232-A235 PolarHBondContact O-N 3.47Å; D232-A235 VanDerWaalsContact O-N 3.07Å
236	M	59.4	Low	68	Low	113 Å²	113	66.5 Å²	66.5	56%	0.557	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-84.2	-13	-177	-162.5	164.8	-71.8	0	0	114.6	S52 H234 N238	S52-M236 WeakPolarHBondContact O-CE 3.45Å; H234-M236 PolarHBondContact O-N 3.02Å; M236-N238 PolarHBondContact O-N 3.25Å
237	T	53.8	Low	65.3	Low	102 Å²	102	71.9 Å²	71.9	63%	0.626	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-69.7	-20.6	-179.1	59.1	0	0	0	0	113.2	H234 A239	H234-T237 PolarHBondContact O-N 3.39Å; H234-T237 VanDerWaalsContact O-N 3.15Å; H234-T237 PolarHBondContact O-OG1 3.34Å; T237-A239 VanDerWaalsContact C-N 3.28Å; T237-A239 PolarHBondContact O-N 2.77Å
238	N	55.8	Low	62.5	Low	28 Å²	28	69.4 Å²	69.4	15%	0.15	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-92	30.4	-175.3	-69.2	12.2	0	0	0	113	K56 A169 S205 E206 M236 N240	K56-N238 WeakPolarHBondContact CE-O 3.49Å; K56-N238 PolarHBondContact NZ-O 3.35Å; A169-N238 WeakPolarHBondContact CB-ND2 3.5Å; S205-N238 PolarHBondContact O-ND2 3.17Å; S205-N238 VanDerWaalsContact O-ND2 3.1Å; E206-N238 WeakPolarHBondContact CG-ND2 3.44Å; E206-N238 WeakPolarHBondContact OE1-CB 3.33Å; M236-N238 PolarHBondContact O-N 3.25Å; N238-N240 PolarHBondContact O-N 3.02Å
239	A	58.7	Low	59.6	Low	43 Å²	43	75 Å²	75	36%	0.355	47%	0.472	S	S	.	.			trans	-63.5	-10.4	-174	0	0	0	0	0	116.1	M54 T237 V241	M54-A239 HydrophobicContact CE-CB 3.9Å; M54-A239 HydrophobicContact SD-CB 3.9Å; T237-A239 VanDerWaalsContact C-N 3.28Å; T237-A239 PolarHBondContact O-N 2.77Å; A239-V241 PolarHBondContact O-N 3.48Å
240	N	58.6	Low	56.5	Low	140 Å²	140	78.3 Å²	78.3	75%	0.749	51%	0.507	S	S	*	.			trans	-70.7	120.5	177.4	-75.6	-20.7	0	0	0	111.5	K56 N238	K56-N240 WeakPolarHBondContact CE-O 3.06Å; K56-N240 PolarHBondContact NZ-O 3.01Å; N238-N240 PolarHBondContact O-N 3.02Å
241	V	58.9	Low	53.9	Low	13 Å²	13	81.8 Å²	81.8	8%	0.079	53%	0.529	C	S	.	.			trans	-95.2	-13.5	-177.1	-174.2	0	0	0	0	112.6	A239 Y243	A239-V241 PolarHBondContact O-N 3.48Å; V241-Y243 VanDerWaalsContact O-CD2 3.29Å; V241-Y243 WeakPolarHBondContact O-CD2 3.37Å; V241-Y243 WeakPolarHBondContact O-CE2 3.42Å
242	S	56.8	Low	51.2	Low	73 Å²	73	87.5 Å²	87.5	51%	0.51	55%	0.545	S	S	.	.			trans	-98.7	99.8	-172	-65.9	0	0	0	0	112.2	E93 G244	E93-S242 WeakPolarHBondContact OE2-CA 3.41Å; E93-S242 VanDerWaalsContact OE2-CB 3.25Å; E93-S242 WeakPolarHBondContact OE2-CB 3.42Å; E93-S242 PolarHBondContact OE2-OG 3.46Å; S242-G244 PolarHBondContact O-N 3.45Å
243	Y	68.3	Low	48.7	Very low	32 Å²	32	92.7 Å²	92.7	13%	0.125	58%	0.582	C	S	.	*			trans	-83.5	62.1	174.5	-58.3	-97.4	0	0	0	110.3	K56 F95 P96 V102 E206 V241 S245	K56-Y243 WeakPolarHBondContact CD-OH 3.39Å; K56-Y243 PolarHBondContact NZ-OH 3.01Å; F95-Y243 HydrophobicContact CD2-CD1 4.25Å; F95-Y243 AromaticContact CD2-CE1 3.88Å; F95-Y243 HydrophobicContact CD2-CE1 3.88Å; F95-Y243 HydrophobicContact CD2-CE2 4.31Å; F95-Y243 AromaticContact CD2-CZ 3.91Å; F95-Y243 HydrophobicContact CE2-CD1 4.43Å; F95-Y243 AromaticContact CE2-CE1 3.81Å; F95-Y243 HydrophobicContact CE2-CE1 3.81Å; P96-Y243 HydrophobicContact CG-CD1 4.3Å; V102-Y243 HydrophobicContact CB-CE2 4.19Å; V102-Y243 HydrophobicContact CG1-CE2 4.15Å; V102-Y243 HydrophobicContact CG2-CD2 3.88Å; V102-Y243 HydrophobicContact CG2-CE2 3.64Å; E206-Y243 VanDerWaalsContact OE2-CE1 3.26Å; E206-Y243 WeakPolarHBondContact OE2-CE1 3.28Å; E206-Y243 VanDerWaalsContact OE2-CZ 3.29Å; E206-Y243 PolarHBondContact OE2-OH 3.45Å; V241-Y243 VanDerWaalsContact O-CD2 3.29Å; V241-Y243 WeakPolarHBondContact O-CD2 3.37Å; V241-Y243 WeakPolarHBondContact O-CE2 3.42Å; Y243-S245 PolarHBondContact O-N 3.28Å
244	G	52.8	Low	46.9	Very low	59 Å²	59	95.7 Å²	95.7	61%	0.608	59%	0.586	S	S	*	*			trans	-59.5	128.9	178.5	0	0	0	0	0	110.9	S242 T246	S242-G244 PolarHBondContact O-N 3.45Å; G244-T246 PolarHBondContact O-N 2.99Å
245	S	45.2	Very low	45.2	Very low	102 Å²	102	98.2 Å²	98.2	71%	0.713	60%	0.603	S	S	*	*			trans	-61.2	126	-175.2	53.1	0	0	0	0	112.1	Y243 T247	Y243-S245 PolarHBondContact O-N 3.28Å; S245-T247 PolarHBondContact O-N 2.93Å
246	T	36.3	Very low	43.5	Very low	139 Å²	139	102.3 Å²	102.3	85%	0.853	63%	0.63	S	S	*	*			trans	-72.3	60	167.9	34.4	0	0	0	0	111.6	G244	G244-T246 PolarHBondContact O-N 2.99Å
247	T	36	Very low	42.3	Very low	115 Å²	115	101.7 Å²	101.7	71%	0.706	64%	0.637	S	S	*	*			trans	-64.1	134	163.1	-51.6	0	0	0	0	108.5	S245	S245-T247 PolarHBondContact O-N 2.93Å
248	A	30.6	Very low	41.6	Very low	78 Å²	78	105 Å²	105	65%	0.645	65%	0.649	S	S	*	*	S	Bend	trans	-63.3	158.2	180	0	0	0	0	0	112.6
249	N	28.9	Very low	40.5	Very low	163 Å²	163	111.7 Å²	111.7	87%	0.872	68%	0.684	S	S	*	*	S	Bend	trans	79.7	91.1	174.9	-53.7	-34.9	0	0	0	118
250	G	26.3	Very low	39.2	Very low	78 Å²	78	116.8 Å²	116.8	80%	0.804	71%	0.706	S	S	*	*				85.4	74.5	121.5	0	0	0	0	0	119.7
251	S	32.2	Very low	38.2	Very low	111 Å²	111	116.6 Å²	116.6	78%	0.776	71%	0.709	S	S	*	*			trans	-150.6	132.4	149.3	-74.4	0	0	0	0	106.5
252	K	30.5	Very low	36.9	Very low	196 Å²	196	119.1 Å²	119.1	85%	0.852	74%	0.738	S	S	*	*				58.5	127.1	57.2	-72.5	-169.3	175.8	-178.7	0	112
253	S	31.2	Very low	35.7	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	76%	0.757	S	S	*	*			trans	66.7	134	-164	86.7	0	0	0	0	113
254	E	33.4	Very low	33.9	Very low	175 Å²	175	131.6 Å²	131.6	82%	0.818	79%	0.792	S	S	*	*			cis	-131.9	137.1	-4.3	-65.6	-173.5	121.6	0	0	109.7
255	L	31.6	Very low	33.1	Very low	162 Å²	162	134.8 Å²	134.8	85%	0.848	81%	0.805	S	S	*	*			trans	-139.2	61.7	178.4	-150.1	160.5	0	0	0	109.2	S257	L255-S257 PolarHBondContact O-N 3.18Å
256	S	28.9	Very low	32.5	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	81%	0.808	S	S	*	*			trans	-95.2	38.5	-161.6	-56.5	0	0	0	0	114.2
257	S	34.1	Very low	32.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	81%	0.807	S	S	*	*	S	Bend	trans	-163.6	81.5	173.4	57.7	0	0	0	0	113.4	L255	L255-S257 PolarHBondContact O-N 3.18Å
258	L	38.9	Very low	32.3	Very low	171 Å²	171	135.4 Å²	135.4	90%	0.895	81%	0.811	S	S	*	*			trans	-179.1	84.3	147.6	-100.9	164.3	0	0	0	109
259	L	33.3	Very low	32.2	Very low	169 Å²	169	135.9 Å²	135.9	89%	0.885	82%	0.823	S	S	*	*			trans	-107	109.5	166.9	-71.9	174.8	0	0	0	108.3
260	D	29.8	Very low	32.3	Very low	151 Å²	151	131.9 Å²	131.9	81%	0.807	82%	0.821	S	S	*	*			trans	-167.1	164.2	140.6	-111.3	-46.1	0	0	0	110.9
261	V	37.7	Very low	32.5	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	83%	0.828	S	S	*	*			trans	62.3	84.2	-176.1	-165.7	0	0	0	0	114.5
262	G	31.2	Very low	32.5	Very low	67 Å²	67	141.4 Å²	141.4	69%	0.691	83%	0.834	S	S	*	*			trans	-97.9	159	164.8	0	0	0	0	0	112.8
263	F	32.9	Very low	32.7	Very low	206 Å²	206	136.7 Å²	136.7	90%	0.904	83%	0.826	S	S	*	*			trans	-144.2	130.5	156.1	-99.7	-75.1	0	0	0	110.1
264	N	31.1	Very low	32.9	Very low	160 Å²	160	138.4 Å²	138.4	86%	0.856	83%	0.826	S	S	*	*			trans	-81.5	132.7	176.5	-76.2	-25	0	0	0	110.9
265	S	35.2	Very low	33.1	Very low	127 Å²	127	133.2 Å²	133.2	89%	0.888	82%	0.82	S	S	*	*				-168	146.1	123.5	-84.2	0	0	0	0	112.5
266	S	32.6	Very low	33.3	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	82%	0.822	S	S	*	*			trans	-94.7	140.1	-179.5	53.6	0	0	0	0	112.4
267	I	34.2	Very low	33.6	Very low	163 Å²	163	131.3 Å²	131.3	84%	0.836	83%	0.826	S	S	*	*			trans	178.5	116.9	142.4	-94.2	149.9	0	0	0	105.3
268	A	33.4	Very low	33.7	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	83%	0.833	S	S	*	*				84.2	87.2	50.4	0	0	0	0	0	113.9
269	G	28.7	Very low	33.5	Very low	88 Å²	88	130.7 Å²	130.7	91%	0.907	83%	0.828	S	S	*	*			trans	95	133.7	161.5	0	0	0	0	0	116.4
270	G	31.2	Very low	33.7	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	82%	0.823	S	S	*	*			trans	161.9	110.8	171.9	0	0	0	0	0	113.6
271	R	30.4	Very low	33.9	Very low	254 Å²	254	126 Å²	126	96%	0.958	82%	0.816	S	S	*	*			trans	-111.8	124.1	165.8	-67.9	173	69.6	-164.1	4.3	108.2
272	C	31.9	Very low	33.8	Very low	135 Å²	135	126.2 Å²	126.2	91%	0.912	82%	0.818	S	S	*	*			trans	-156.5	167.8	164	50.5	0	0	0	0	110.5
273	S	35.9	Very low	34	Very low	97 Å²	97	128 Å²	128	68%	0.678	82%	0.82	S	S	*	*			trans	-143.8	-179.2	-165.6	61.3	0	0	0	0	112.2
274	N	34	Very low	34.1	Very low	155 Å²	155	122.6 Å²	122.6	83%	0.829	81%	0.813	S	S	*	*			trans	93.6	139.1	165.7	-47.1	-12.5	0	0	0	116.5
275	G	37.1	Very low	34.1	Very low	66 Å²	66	124.4 Å²	124.4	68%	0.68	81%	0.814	S	S	*	*			trans	149.1	50.3	172.9	0	0	0	0	0	115.4
276	V	37	Very low	34	Very low	147 Å²	147	121.8 Å²	121.8	89%	0.891	80%	0.8	S	S	*	*				77.3	129.5	97.5	-56.3	0	0	0	0	118.3
277	G	34.8	Very low	34	Very low	82 Å²	82	125.3 Å²	125.3	85%	0.845	80%	0.804	S	S	*	*			trans	97.6	136.3	162.5	0	0	0	0	0	116.3
278	A	36.8	Very low	33.8	Very low	102 Å²	102	122 Å²	122	84%	0.843	80%	0.795	S	S	*	*			cis	-157	167	-14.3	0	0	0	0	0	110.2
279	I	34	Very low	33.7	Very low	156 Å²	156	126 Å²	126	80%	0.8	80%	0.798	S	S	*	*			trans	-105.1	168.6	179	-26.3	-179	0	0	0	109.1
280	V	37.4	Very low	33.5	Very low	126 Å²	126	126 Å²	126	76%	0.764	78%	0.783	S	S	*	*				-177.4	119.3	84.5	161.2	0	0	0	0	111.4
281	S	34.9	Very low	33.4	Very low	97 Å²	97	128.3 Å²	128.3	68%	0.678	79%	0.787	S	S	*	*			trans	57	162.7	136.6	-53.8	0	0	0	0	126.5
282	T	35.1	Very low	33.4	Very low	138 Å²	138	120.7 Å²	120.7	85%	0.847	77%	0.773	S	S	*	*			trans	83.8	134.5	164.5	68.9	0	0	0	0	119.4
283	S	36.6	Very low	33.8	Very low	106 Å²	106	120 Å²	120	74%	0.741	76%	0.76	S	S	*	*			cis	-166.6	144.3	-11.8	49.2	0	0	0	0	114.3
284	A	34.4	Very low	34.6	Very low	92 Å²	92	121.2 Å²	121.2	76%	0.76	77%	0.768	S	S	*	*			trans	52.9	136.5	153.7	0	0	0	0	0	119.6
285	F	31.4	Very low	35.5	Very low	197 Å²	197	119.2 Å²	119.2	86%	0.864	76%	0.761	S	S	*	*			cis	-136.2	137.3	41.3	-115.9	-123.8	0	0	0	110.6
286	A	32.1	Very low	36.6	Very low	72 Å²	72	118.9 Å²	118.9	60%	0.595	75%	0.746	S	S	*	*				60.3	133.3	98.5	0	0	0	0	0	115.8
287	Q	32.6	Very low	37.9	Very low	185 Å²	185	113.5 Å²	113.5	86%	0.864	72%	0.72	S	S	*	*			cis	-161.6	162.7	14.3	-122.6	163.8	19.2	0	0	112.8
288	S	31	Very low	39.6	Very low	93 Å²	93	113.4 Å²	113.4	65%	0.65	71%	0.705	S	S	*	*			trans	53.1	102.4	162.4	-152.7	0	0	0	0	119.2
289	Q	29.4	Very low	41.5	Very low	180 Å²	180	113.4 Å²	113.4	84%	0.841	69%	0.686	S	S	*	*				51	111	79.9	-64	-172	-1.5	0	0	116.2
290	C	25.2	Very low	43.6	Very low	88 Å²	88	107.1 Å²	107.1	60%	0.595	65%	0.654	S	S	*	*				-168.7	154.9	126.6	45.5	0	0	0	0	108.7
291	S	30	Very low	45.4	Very low	127 Å²	127	108.1 Å²	108.1	89%	0.888	65%	0.65	S	S	*	*			trans	-126.1	101.4	-173.9	-58.6	0	0	0	0	111.5
292	S	30.4	Very low	47.6	Very low	94 Å²	94	108 Å²	108	66%	0.657	64%	0.642	S	S	*	*			trans	-172.1	149.1	173.1	44.4	0	0	0	0	108.6
293	D	40.5	Very low	49.9	Very low	121 Å²	121	102.9 Å²	102.9	65%	0.647	61%	0.609	S	S	*	*			cis	-142.6	153.3	-17.2	-93.2	-43.7	0	0	0	108.4	V295 T296	D293-V295 PolarHBondContact O-N 2.98Å; D293-T296 PolarHBondContact O-OG1 2.93Å
294	S	51.3	Low	52	Low	122 Å²	122	99 Å²	99	85%	0.853	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	16.5	-169.9	46.7	0	0	0	0	116.2
295	V	54.4	Low	54.1	Low	112 Å²	112	97.9 Å²	97.9	68%	0.679	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-25.8	-175.4	-170.7	0	0	0	0	112.5	D293	D293-V295 PolarHBondContact O-N 2.98Å
296	T	58.5	Low	56.6	Low	59 Å²	59	92.2 Å²	92.2	36%	0.362	55%	0.548	S	S	.	.	H	α-helix	trans	-84.4	-25.1	-172.8	52	0	0	0	0	114.3	D293 F299 I300 A328	D293-T296 PolarHBondContact O-OG1 2.93Å; T296-F299 WeakPolarHBondContact O-CB 3.42Å; T296-F299 PolarHBondContact O-N 3.37Å; T296-I300 WeakPolarHBondContact O-CD1 3.41Å; T296-I300 WeakPolarHBondContact O-CG1 3.42Å; T296-I300 PolarHBondContact O-N 3.08Å; T296-A328 HydrophobicContact CG2-CB 4.26Å
297	G	64.3	Low	59	Low	34 Å²	34	89.9 Å²	89.9	35%	0.351	53%	0.525	S	S	.	.	H	α-helix	trans	-49	-60.2	176.2	0	0	0	0	0	114.4	F299 I300 E301	G297-F299 PolarHBondContact O-N 3.24Å; G297-I300 PolarHBondContact O-N 3.47Å; G297-E301 PolarHBondContact O-N 3.4Å
298	P	70.7	Confident	61.3	Low	80 Å²	80	85 Å²	85	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-23.9	-179.1	25.7	-35.3	0	0	0	113.6	N302	P298-N302 VanDerWaalsContact O-CB 3.31Å; P298-N302 WeakPolarHBondContact O-CB 3.4Å; P298-N302 PolarHBondContact O-N 3.34Å; P298-N302 VanDerWaalsContact O-N 3.15Å
299	F	76.9	Confident	63.5	Low	103 Å²	103	83.7 Å²	83.7	45%	0.452	50%	0.496	S	S	.	.	H	α-helix	trans	-69.1	-43.1	171	174.2	-99.8	0	0	0	111.4	T296 G297 N302 L303 V324	T296-F299 WeakPolarHBondContact O-CB 3.42Å; T296-F299 PolarHBondContact O-N 3.37Å; G297-F299 PolarHBondContact O-N 3.24Å; F299-N302 PolarHBondContact O-N 3.36Å; F299-L303 HydrophobicContact CE1-CD1 3.96Å; F299-L303 HydrophobicContact CZ-CD1 3.97Å; F299-L303 VanDerWaalsContact O-CB 3.23Å; F299-L303 WeakPolarHBondContact O-CB 3.44Å; F299-L303 PolarHBondContact O-N 3.1Å; F299-V324 HydrophobicContact CD1-CG1 4.42Å; F299-V324 HydrophobicContact CE1-CG1 3.91Å
300	I	79	Confident	65.9	Low	23 Å²	23	84.5 Å²	84.5	12%	0.118	49%	0.491	C	S	.	.	H	α-helix	trans	-65.5	-42.9	178.3	-69	159.1	0	0	0	111.2	T296 G297 L303 A304 V321 V324 Q325	T296-I300 WeakPolarHBondContact O-CD1 3.41Å; T296-I300 WeakPolarHBondContact O-CG1 3.42Å; T296-I300 PolarHBondContact O-N 3.08Å; G297-I300 PolarHBondContact O-N 3.47Å; I300-L303 PolarHBondContact O-N 3.38Å; I300-A304 WeakPolarHBondContact O-CB 3.46Å; I300-A304 PolarHBondContact O-N 2.91Å; I300-V321 HydrophobicContact CG2-CG1 3.64Å; I300-V321 HydrophobicContact CG2-CG2 4.36Å; I300-V324 HydrophobicContact CG1-CG1 4.4Å; I300-Q325 HydrophobicContact CD1-CG 3.65Å; I300-Q325 HydrophobicContact CG1-CG 4.46Å
301	E	75.5	Confident	68.3	Low	147 Å²	147	82.5 Å²	82.5	69%	0.687	49%	0.486	S	S	*	.	H	α-helix	trans	-62.4	-44.5	176.2	-69.5	176.8	162.6	0	0	111.9	G297 A304 S305	G297-E301 PolarHBondContact O-N 3.4Å; E301-A304 PolarHBondContact O-N 2.9Å; E301-S305 WeakPolarHBondContact O-CB 3.5Å; E301-S305 PolarHBondContact O-N 2.84Å
302	N	80.7	Confident	70.7	Confident	94 Å²	94	81 Å²	81	50%	0.503	46%	0.463	S	S	.	.	H	α-helix	trans	-65.4	-40.6	175.9	-167.8	13.6	0	0	0	111.6	P298 F299 S305 I306	P298-N302 VanDerWaalsContact O-CB 3.31Å; P298-N302 WeakPolarHBondContact O-CB 3.4Å; P298-N302 PolarHBondContact O-N 3.34Å; P298-N302 VanDerWaalsContact O-N 3.15Å; F299-N302 PolarHBondContact O-N 3.36Å; N302-S305 WeakPolarHBondContact O-CB 3.28Å; N302-S305 PolarHBondContact O-N 2.89Å; N302-I306 WeakPolarHBondContact O-CD1 3.3Å; N302-I306 VanDerWaalsContact O-CG1 3.25Å; N302-I306 WeakPolarHBondContact O-CG1 3.37Å; N302-I306 PolarHBondContact O-N 2.82Å
303	L	82.7	Confident	73.2	Confident	32 Å²	32	78.7 Å²	78.7	17%	0.168	45%	0.454	C	S	.	.	H	α-helix	trans	-63.1	-42.2	176	-179.4	143	0	0	0	112.1	F299 I300 I306 L307 I320 V321 V324	F299-L303 HydrophobicContact CE1-CD1 3.96Å; F299-L303 HydrophobicContact CZ-CD1 3.97Å; F299-L303 VanDerWaalsContact O-CB 3.23Å; F299-L303 WeakPolarHBondContact O-CB 3.44Å; F299-L303 PolarHBondContact O-N 3.1Å; I300-L303 PolarHBondContact O-N 3.38Å; L303-I306 PolarHBondContact O-N 2.79Å; L303-L307 HydrophobicContact CD2-CD1 3.65Å; L303-L307 HydrophobicContact CD2-CG 4.48Å; L303-L307 HydrophobicContact CG-CD1 4.37Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 3.35Å; L303-I320 HydrophobicContact CD2-CG2 4.32Å; L303-V321 HydrophobicContact CD2-CG2 3.93Å; L303-V324 HydrophobicContact CD1-CG1 4.4Å; L303-V324 HydrophobicContact CD1-CG2 4.03Å; L303-V324 HydrophobicContact CD2-CG2 4.44Å
304	A	81.3	Confident	75.2	Confident	23 Å²	23	79.8 Å²	79.8	19%	0.19	46%	0.456	C	S	.	.	H	α-helix	trans	-62.6	-42.6	173.3	0	0	0	0	0	111.7	I300 E301 L307 N308 V317 V321	I300-A304 WeakPolarHBondContact O-CB 3.46Å; I300-A304 PolarHBondContact O-N 2.91Å; E301-A304 PolarHBondContact O-N 2.9Å; A304-L307 PolarHBondContact O-N 3.25Å; A304-N308 WeakPolarHBondContact O-CB 3.46Å; A304-N308 PolarHBondContact O-N 2.87Å; A304-N308 PolarHBondContact O-ND2 3.16Å; A304-N308 VanDerWaalsContact O-ND2 3.1Å; A304-V317 HydrophobicContact CB-CG1 4.12Å; A304-V321 HydrophobicContact CB-CG2 4.11Å
305	S	77.9	Confident	76.7	Confident	70 Å²	70	80.5 Å²	80.5	49%	0.49	45%	0.447	S	S	.	.	H	α-helix	trans	-59.3	-45.6	173.7	-173.8	0	0	0	0	112.2	E301 N302 N308 S309	E301-S305 WeakPolarHBondContact O-CB 3.5Å; E301-S305 PolarHBondContact O-N 2.84Å; N302-S305 WeakPolarHBondContact O-CB 3.28Å; N302-S305 PolarHBondContact O-N 2.89Å; S305-N308 PolarHBondContact O-N 3.25Å; S305-S309 WeakPolarHBondContact O-CB 3.41Å; S305-S309 PolarHBondContact O-N 3.3Å
306	I	83.4	Confident	78.1	Confident	78 Å²	78	76.6 Å²	76.6	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-45.7	177.9	-70.3	162.2	0	0	0	111.2	N302 L303 S309 R310	N302-I306 WeakPolarHBondContact O-CD1 3.3Å; N302-I306 VanDerWaalsContact O-CG1 3.25Å; N302-I306 WeakPolarHBondContact O-CG1 3.37Å; N302-I306 PolarHBondContact O-N 2.82Å; L303-I306 PolarHBondContact O-N 2.79Å; I306-S309 PolarHBondContact O-N 3.31Å; I306-S309 PolarHBondContact O-OG 3.05Å; I306-R310 PolarHBondContact O-N 2.91Å
307	L	82.8	Confident	79.5	Confident	22 Å²	22	74.2 Å²	74.2	12%	0.115	41%	0.412	C	S	.	.	H	α-helix	trans	-65.3	-42.8	178.8	-68.3	170.4	0	0	0	112.2	L303 A304 S309 R310 G311 F312 V317 I320	L303-L307 HydrophobicContact CD2-CD1 3.65Å; L303-L307 HydrophobicContact CD2-CG 4.48Å; L303-L307 HydrophobicContact CG-CD1 4.37Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 3.35Å; A304-L307 PolarHBondContact O-N 3.25Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 2.88Å; L307-R310 CarbonylContact O-C 3.59Å; L307-R310 PolarHBondContact O-N 3.22Å; L307-G311 PolarHBondContact O-N 2.71Å; L307-F312 HydrophobicContact CB-CB 4.46Å; L307-F312 HydrophobicContact CB-CD2 4.35Å; L307-F312 HydrophobicContact CD2-CD2 3.89Å; L307-F312 HydrophobicContact CD2-CE2 4Å; L307-F312 HydrophobicContact CD2-CG 4.32Å; L307-F312 WeakPolarHBondContact O-CD2 3.32Å; L307-F312 PolarHBondContact O-N 2.79Å; L307-V317 HydrophobicContact CB-CG1 4.22Å; L307-V317 HydrophobicContact CB-CG2 3.91Å; L307-V317 HydrophobicContact CD1-CG1 4.23Å; L307-I320 HydrophobicContact CD1-CB 3.92Å; L307-I320 HydrophobicContact CD1-CD1 4.03Å; L307-I320 HydrophobicContact CD1-CG2 3.7Å; L307-I320 HydrophobicContact CD2-CD1 4.12Å
308	N	80.9	Confident	80.6	Confident	83 Å²	83	77.4 Å²	77.4	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-43	172.8	-77.4	-40.9	0	0	0	111.5	A304 S305 R310 G311	A304-N308 WeakPolarHBondContact O-CB 3.46Å; A304-N308 PolarHBondContact O-N 2.87Å; A304-N308 PolarHBondContact O-ND2 3.16Å; A304-N308 VanDerWaalsContact O-ND2 3.1Å; S305-N308 PolarHBondContact O-N 3.25Å; N308-R310 PolarHBondContact O-N 3.44Å; N308-G311 PolarHBondContact O-N 3.19Å
309	S	77.6	Confident	81.5	Confident	66 Å²	66	79.9 Å²	79.9	46%	0.462	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-26.8	177.1	81	0	0	0	0	113.5	S305 I306 L307 G311	S305-S309 WeakPolarHBondContact O-CB 3.41Å; S305-S309 PolarHBondContact O-N 3.3Å; I306-S309 PolarHBondContact O-N 3.31Å; I306-S309 PolarHBondContact O-OG 3.05Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 2.88Å; S309-G311 VanDerWaalsContact C-N 3.33Å
310	R	79.5	Confident	82	Confident	196 Å²	196	77.8 Å²	77.8	74%	0.74	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	5.6	173.4	-70.4	-171.8	176	-149.5	-0.7	113.7	I306 L307 N308 F312	I306-R310 PolarHBondContact O-N 2.91Å; L307-R310 CarbonylContact O-C 3.59Å; L307-R310 PolarHBondContact O-N 3.22Å; N308-R310 PolarHBondContact O-N 3.44Å; R310-F312 HydrophobicContact CB-CD2 3.93Å; R310-F312 HydrophobicContact CB-CE2 3.94Å; R310-F312 PolarHBondContact O-N 3.37Å
311	G	76.7	Confident	82.4	Confident	46 Å²	46	77.7 Å²	77.7	47%	0.474	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	13.5	170.5	0	0	0	0	0	115.9	L307 N308 S309	L307-G311 PolarHBondContact O-N 2.71Å; N308-G311 PolarHBondContact O-N 3.19Å; S309-G311 VanDerWaalsContact C-N 3.33Å
312	F	80.7	Confident	83	Confident	96 Å²	96	73.8 Å²	73.8	42%	0.421	41%	0.407	S	S	.	.			trans	-59.4	144.3	170.7	-74.1	-93.3	0	0	0	110.3	L307 R310 V317 I320	L307-F312 HydrophobicContact CB-CB 4.46Å; L307-F312 HydrophobicContact CB-CD2 4.35Å; L307-F312 HydrophobicContact CD2-CD2 3.89Å; L307-F312 HydrophobicContact CD2-CE2 4Å; L307-F312 HydrophobicContact CD2-CG 4.32Å; L307-F312 WeakPolarHBondContact O-CD2 3.32Å; L307-F312 PolarHBondContact O-N 2.79Å; R310-F312 HydrophobicContact CB-CD2 3.93Å; R310-F312 HydrophobicContact CB-CE2 3.94Å; R310-F312 PolarHBondContact O-N 3.37Å; F312-V317 HydrophobicContact CB-CG2 3.89Å; F312-I320 HydrophobicContact CD1-CD1 4.45Å
313	G	82.1	Confident	83.3	Confident	45 Å²	45	71.7 Å²	71.7	46%	0.464	40%	0.403	S	S	.	.			trans	-72.7	145	176.5	0	0	0	0	0	111.4	M315 A316 V317	G313-M315 VanDerWaalsContact C-N 3.27Å; G313-M315 PolarHBondContact O-N 3.46Å; G313-M315 VanDerWaalsContact O-N 3.13Å; G313-A316 WeakPolarHBondContact O-CA 3.41Å; G313-A316 WeakPolarHBondContact O-CB 3.3Å; G313-A316 PolarHBondContact O-N 2.88Å; G313-V317 PolarHBondContact O-N 3.34Å
314	E	81.9	Confident	83.4	Confident	145 Å²	145	71 Å²	71	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-47.8	-44.1	-175.6	-172.8	179.2	-176.8	0	0	113.8	A316 V317 L318	E314-A316 PolarHBondContact O-N 3.22Å; E314-V317 WeakPolarHBondContact O-CB 3.22Å; E314-V317 PolarHBondContact O-N 2.93Å; E314-V317 VanDerWaalsContact O-N 3.15Å; E314-L318 HydrophobicContact CG-CD1 4.39Å; E314-L318 WeakPolarHBondContact O-CG 3.44Å; E314-L318 PolarHBondContact O-N 2.99Å
315	M	82.9	Confident	83.4	Confident	136 Å²	136	74.5 Å²	74.5	67%	0.67	41%	0.413	S	S	*	.	H	α-helix	trans	-57	-44.5	174.2	-70.7	-63.4	-62	0	0	113	G313 L318 E319	G313-M315 VanDerWaalsContact C-N 3.27Å; G313-M315 PolarHBondContact O-N 3.46Å; G313-M315 VanDerWaalsContact O-N 3.13Å; M315-L318 PolarHBondContact O-N 3.47Å; M315-E319 WeakPolarHBondContact O-CG 3.48Å; M315-E319 PolarHBondContact O-N 2.94Å
316	A	84.7	Confident	83.7	Confident	31 Å²	31	74.7 Å²	74.7	26%	0.256	41%	0.411	S	S	.	.	H	α-helix	trans	-70.1	-33.3	177.3	0	0	0	0	0	111.7	G313 E314 E319 I320	G313-A316 WeakPolarHBondContact O-CA 3.41Å; G313-A316 WeakPolarHBondContact O-CB 3.3Å; G313-A316 PolarHBondContact O-N 2.88Å; E314-A316 PolarHBondContact O-N 3.22Å; A316-E319 PolarHBondContact O-N 2.96Å; A316-I320 WeakPolarHBondContact O-CB 2.93Å; A316-I320 WeakPolarHBondContact O-CD1 3.47Å; A316-I320 WeakPolarHBondContact O-CG1 3.27Å; A316-I320 PolarHBondContact O-N 3.31Å
317	V	87.7	Confident	83.4	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.055	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-43.4	172.5	-176.6	0	0	0	0	110.4	A304 L307 F312 G313 E314 I320 V321	A304-V317 HydrophobicContact CB-CG1 4.12Å; L307-V317 HydrophobicContact CB-CG1 4.22Å; L307-V317 HydrophobicContact CB-CG2 3.91Å; L307-V317 HydrophobicContact CD1-CG1 4.23Å; F312-V317 HydrophobicContact CB-CG2 3.89Å; G313-V317 PolarHBondContact O-N 3.34Å; E314-V317 WeakPolarHBondContact O-CB 3.22Å; E314-V317 PolarHBondContact O-N 2.93Å; E314-V317 VanDerWaalsContact O-N 3.15Å; V317-I320 PolarHBondContact O-N 2.99Å; V317-V321 HydrophobicContact CG1-CG2 4.32Å; V317-V321 VanDerWaalsContact O-CB 3.27Å; V317-V321 WeakPolarHBondContact O-CB 3.33Å; V317-V321 VanDerWaalsContact O-CG2 3.24Å; V317-V321 WeakPolarHBondContact O-CG2 3.26Å; V317-V321 PolarHBondContact O-N 3.24Å
318	L	88.1	Confident	83.1	Confident	101 Å²	101	74.8 Å²	74.8	53%	0.529	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-42.8	175.7	-70.4	169.2	0	0	0	112.4	E314 M315 V321 S322	E314-L318 HydrophobicContact CG-CD1 4.39Å; E314-L318 WeakPolarHBondContact O-CG 3.44Å; E314-L318 PolarHBondContact O-N 2.99Å; M315-L318 PolarHBondContact O-N 3.47Å; L318-V321 PolarHBondContact O-N 3.46Å; L318-S322 VanDerWaalsContact O-CB 3.22Å; L318-S322 WeakPolarHBondContact O-CB 3.26Å; L318-S322 PolarHBondContact O-N 3.38Å
319	E	88.2	Confident	82.8	Confident	131 Å²	131	77.3 Å²	77.3	61%	0.612	42%	0.423	S	S	*	.	H	α-helix	trans	-61.3	-46.7	175	-75.1	174.4	165.4	0	0	111.9	M315 A316 S322 A323	M315-E319 WeakPolarHBondContact O-CG 3.48Å; M315-E319 PolarHBondContact O-N 2.94Å; A316-E319 PolarHBondContact O-N 2.96Å; E319-S322 PolarHBondContact O-N 3.23Å; E319-A323 WeakPolarHBondContact O-CB 3.34Å; E319-A323 PolarHBondContact O-N 3.26Å
320	I	88.3	Confident	82.7	Confident	60 Å²	60	82.3 Å²	82.3	31%	0.308	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-42.8	178.8	-63.4	162	0	0	0	110.9	L303 L307 F312 A316 V317 S322 A323 V324	L303-I320 HydrophobicContact CD2-CG2 4.32Å; L307-I320 HydrophobicContact CD1-CB 3.92Å; L307-I320 HydrophobicContact CD1-CD1 4.03Å; L307-I320 HydrophobicContact CD1-CG2 3.7Å; L307-I320 HydrophobicContact CD2-CD1 4.12Å; F312-I320 HydrophobicContact CD1-CD1 4.45Å; A316-I320 WeakPolarHBondContact O-CB 2.93Å; A316-I320 WeakPolarHBondContact O-CD1 3.47Å; A316-I320 WeakPolarHBondContact O-CG1 3.27Å; A316-I320 PolarHBondContact O-N 3.31Å; V317-I320 PolarHBondContact O-N 2.99Å; I320-S322 VanDerWaalsContact C-N 3.34Å; I320-S322 PolarHBondContact O-N 3.3Å; I320-A323 PolarHBondContact O-N 3.44Å; I320-V324 HydrophobicContact CG2-CG2 4.35Å; I320-V324 WeakPolarHBondContact O-CB 3.28Å; I320-V324 VanDerWaalsContact O-CG2 3.28Å; I320-V324 WeakPolarHBondContact O-CG2 3.37Å; I320-V324 PolarHBondContact O-N 3.48Å
321	V	87.8	Confident	82.1	Confident	20 Å²	20	79 Å²	79	12%	0.121	43%	0.429	C	S	.	.	H	α-helix	trans	-61.2	-42.8	175.7	162.4	0	0	0	0	111.2	I300 L303 A304 V317 L318 V324 Q325	I300-V321 HydrophobicContact CG2-CG1 3.64Å; I300-V321 HydrophobicContact CG2-CG2 4.36Å; L303-V321 HydrophobicContact CD2-CG2 3.93Å; A304-V321 HydrophobicContact CB-CG2 4.11Å; V317-V321 HydrophobicContact CG1-CG2 4.32Å; V317-V321 VanDerWaalsContact O-CB 3.27Å; V317-V321 WeakPolarHBondContact O-CB 3.33Å; V317-V321 VanDerWaalsContact O-CG2 3.24Å; V317-V321 WeakPolarHBondContact O-CG2 3.26Å; V317-V321 PolarHBondContact O-N 3.24Å; L318-V321 PolarHBondContact O-N 3.46Å; V321-V324 PolarHBondContact O-N 3.01Å; V321-Q325 WeakPolarHBondContact O-CB 3.46Å; V321-Q325 WeakPolarHBondContact O-CG 3.44Å; V321-Q325 PolarHBondContact O-N 3.07Å
322	S	87.1	Confident	81.6	Confident	65 Å²	65	80.6 Å²	80.6	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-45.7	175.3	-175.4	0	0	0	0	111.7	L318 E319 I320 V324 Q325 V326	L318-S322 VanDerWaalsContact O-CB 3.22Å; L318-S322 WeakPolarHBondContact O-CB 3.26Å; L318-S322 PolarHBondContact O-N 3.38Å; E319-S322 PolarHBondContact O-N 3.23Å; I320-S322 VanDerWaalsContact C-N 3.34Å; I320-S322 PolarHBondContact O-N 3.3Å; S322-V324 PolarHBondContact O-N 3.49Å; S322-Q325 WeakPolarHBondContact O-CB 3.43Å; S322-Q325 PolarHBondContact O-N 3.16Å; S322-V326 WeakPolarHBondContact O-CG2 3.25Å; S322-V326 PolarHBondContact O-N 2.85Å
323	A	86.5	Confident	80.7	Confident	51 Å²	51	78.4 Å²	78.4	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-61.4	-40.9	175.3	0	0	0	0	0	112.5	E319 I320 V326 L327	E319-A323 WeakPolarHBondContact O-CB 3.34Å; E319-A323 PolarHBondContact O-N 3.26Å; I320-A323 PolarHBondContact O-N 3.44Å; A323-V326 PolarHBondContact O-N 3.23Å; A323-L327 WeakPolarHBondContact O-CG 3.41Å; A323-L327 PolarHBondContact O-N 2.77Å
324	V	85.1	Confident	79.2	Confident	17 Å²	17	79.1 Å²	79.1	10%	0.103	43%	0.429	C	S	.	.	H	α-helix	trans	-65.6	-39.7	175	167.8	0	0	0	0	111.5	F299 I300 L303 I320 V321 S322 V326 L327 A328 L333	F299-V324 HydrophobicContact CD1-CG1 4.42Å; F299-V324 HydrophobicContact CE1-CG1 3.91Å; I300-V324 HydrophobicContact CG1-CG1 4.4Å; L303-V324 HydrophobicContact CD1-CG1 4.4Å; L303-V324 HydrophobicContact CD1-CG2 4.03Å; L303-V324 HydrophobicContact CD2-CG2 4.44Å; I320-V324 HydrophobicContact CG2-CG2 4.35Å; I320-V324 WeakPolarHBondContact O-CB 3.28Å; I320-V324 VanDerWaalsContact O-CG2 3.28Å; I320-V324 WeakPolarHBondContact O-CG2 3.37Å; I320-V324 PolarHBondContact O-N 3.48Å; V321-V324 PolarHBondContact O-N 3.01Å; S322-V324 PolarHBondContact O-N 3.49Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-L327 PolarHBondContact O-N 3.36Å; V324-A328 WeakPolarHBondContact O-CB 3.44Å; V324-A328 PolarHBondContact O-N 3.33Å; V324-L333 HydrophobicContact CG1-CD1 4.25Å
325	Q	81.4	Confident	77.6	Confident	96 Å²	96	80.2 Å²	80.2	45%	0.449	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-39.5	173	-76.4	174.3	1.8	0	0	112.1	I300 V321 S322 A328 K329	I300-Q325 HydrophobicContact CD1-CG 3.65Å; I300-Q325 HydrophobicContact CG1-CG 4.46Å; V321-Q325 WeakPolarHBondContact O-CB 3.46Å; V321-Q325 WeakPolarHBondContact O-CG 3.44Å; V321-Q325 PolarHBondContact O-N 3.07Å; S322-Q325 WeakPolarHBondContact O-CB 3.43Å; S322-Q325 PolarHBondContact O-N 3.16Å; Q325-A328 PolarHBondContact O-N 3.19Å; Q325-K329 WeakPolarHBondContact O-CB 3.38Å; Q325-K329 PolarHBondContact O-N 2.95Å
326	V	84.3	Confident	75.8	Confident	74 Å²	74	77 Å²	77	45%	0.448	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-47.8	173.5	170.5	0	0	0	0	111	S322 A323 V324 A328 K329 Y330	S322-V326 WeakPolarHBondContact O-CG2 3.25Å; S322-V326 PolarHBondContact O-N 2.85Å; A323-V326 PolarHBondContact O-N 3.23Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V326-A328 VanDerWaalsContact C-N 3.28Å; V326-A328 PolarHBondContact O-N 3.38Å; V326-K329 PolarHBondContact O-N 2.95Å; V326-Y330 HydrophobicContact CG1-CD2 3.88Å; V326-Y330 HydrophobicContact CG1-CE2 3.95Å; V326-Y330 VanDerWaalsContact O-CD2 3.26Å; V326-Y330 WeakPolarHBondContact O-CD2 3.43Å; V326-Y330 PolarHBondContact O-N 3.1Å
327	L	78	Confident	73.7	Confident	75 Å²	75	82.9 Å²	82.9	39%	0.393	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-34.5	176.6	-70	169.2	0	0	0	112.6	A323 V324 N331 V332 L333	A323-L327 WeakPolarHBondContact O-CG 3.41Å; A323-L327 PolarHBondContact O-N 2.77Å; V324-L327 PolarHBondContact O-N 3.36Å; L327-N331 PolarHBondContact O-N 3.05Å; L327-V332 HydrophobicContact CB-CB 4.43Å; L327-V332 HydrophobicContact CD2-CB 3.91Å; L327-V332 HydrophobicContact CD2-CG1 3.94Å; L327-V332 HydrophobicContact CD2-CG2 4.17Å; L327-V332 PolarHBondContact O-N 2.9Å; L327-L333 HydrophobicContact CB-CD1 4.16Å; L327-L333 HydrophobicContact CB-CG 4.25Å
328	A	75.5	Confident	71.2	Confident	27 Å²	27	90.4 Å²	90.4	22%	0.223	49%	0.486	C	S	.	.	H	α-helix	trans	-68.6	-44.4	173.3	0	0	0	0	0	111.9	T296 V324 Q325 V326 Y330 N331 L333	T296-A328 HydrophobicContact CG2-CB 4.26Å; V324-A328 WeakPolarHBondContact O-CB 3.44Å; V324-A328 PolarHBondContact O-N 3.33Å; Q325-A328 PolarHBondContact O-N 3.19Å; V326-A328 VanDerWaalsContact C-N 3.28Å; V326-A328 PolarHBondContact O-N 3.38Å; A328-Y330 PolarHBondContact O-N 3.1Å; A328-N331 WeakPolarHBondContact O-CA 3.46Å; A328-N331 PolarHBondContact O-N 2.95Å; A328-L333 HydrophobicContact CB-CD1 3.97Å
329	K	74.2	Confident	68.9	Low	137 Å²	137	91.4 Å²	91.4	60%	0.596	50%	0.497	S	S	*	.	H	α-helix	trans	-60.3	-32.8	177.3	-174	176.9	-177.1	177.3	0	112.9	Q325 V326	Q325-K329 WeakPolarHBondContact O-CB 3.38Å; Q325-K329 PolarHBondContact O-N 2.95Å; V326-K329 PolarHBondContact O-N 2.95Å
330	Y	76.3	Confident	66.2	Low	170 Å²	170	93.1 Å²	93.1	67%	0.667	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	10.4	173.9	-68.3	-69.3	0	0	0	113.9	V326 A328 V332	V326-Y330 HydrophobicContact CG1-CD2 3.88Å; V326-Y330 HydrophobicContact CG1-CE2 3.95Å; V326-Y330 VanDerWaalsContact O-CD2 3.26Å; V326-Y330 WeakPolarHBondContact O-CD2 3.43Å; V326-Y330 PolarHBondContact O-N 3.1Å; A328-Y330 PolarHBondContact O-N 3.1Å; Y330-V332 PolarHBondContact O-N 3.04Å; Y330-V332 VanDerWaalsContact O-N 3.08Å
331	N	65.7	Low	63.6	Low	126 Å²	126	97.9 Å²	97.9	67%	0.674	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	20.3	179.2	-155.9	20.3	0	0	0	115.4	L327 A328 L333 G334	L327-N331 PolarHBondContact O-N 3.05Å; A328-N331 WeakPolarHBondContact O-CA 3.46Å; A328-N331 PolarHBondContact O-N 2.95Å; N331-L333 VanDerWaalsContact C-N 3.28Å; N331-L333 PolarHBondContact O-N 3.46Å; N331-G334 PolarHBondContact O-N 2.89Å; N331-G334 VanDerWaalsContact O-N 3.16Å
332	V	66.4	Low	60.8	Low	80 Å²	80	100.5 Å²	100.5	49%	0.485	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-68.5	-29.4	-175.2	-174.8	0	0	0	0	111.6	L327 Y330 G334	L327-V332 HydrophobicContact CB-CB 4.43Å; L327-V332 HydrophobicContact CD2-CB 3.91Å; L327-V332 HydrophobicContact CD2-CG1 3.94Å; L327-V332 HydrophobicContact CD2-CG2 4.17Å; L327-V332 PolarHBondContact O-N 2.9Å; Y330-V332 PolarHBondContact O-N 3.04Å; Y330-V332 VanDerWaalsContact O-N 3.08Å; V332-G334 PolarHBondContact O-N 2.85Å
333	L	61.7	Low	58.3	Low	51 Å²	51	109.4 Å²	109.4	27%	0.267	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-64.6	-17.7	175.4	-77.5	156	0	0	0	113.6	V324 L327 A328 N331 M335 F337	V324-L333 HydrophobicContact CG1-CD1 4.25Å; L327-L333 HydrophobicContact CB-CD1 4.16Å; L327-L333 HydrophobicContact CB-CG 4.25Å; A328-L333 HydrophobicContact CB-CD1 3.97Å; N331-L333 VanDerWaalsContact C-N 3.28Å; N331-L333 PolarHBondContact O-N 3.46Å; L333-M335 PolarHBondContact O-N 2.85Å; L333-F337 HydrophobicContact CD2-CD2 4.25Å; L333-F337 HydrophobicContact CD2-CE2 4.05Å
334	G	50.7	Low	55.6	Low	59 Å²	59	112.3 Å²	112.3	61%	0.608	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-70.8	-8.6	-177.3	0	0	0	0	0	115.9	N331 V332	N331-G334 PolarHBondContact O-N 2.89Å; N331-G334 VanDerWaalsContact O-N 3.16Å; V332-G334 PolarHBondContact O-N 2.85Å
335	M	48.7	Very low	53	Low	168 Å²	168	117.1 Å²	117.1	83%	0.828	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-103.2	-12.7	-171.5	-68.8	-74.3	-77.5	0	0	115.1	L333	L333-M335 PolarHBondContact O-N 2.85Å
336	A	45.1	Very low	50.6	Low	70 Å²	70	116.4 Å²	116.4	58%	0.579	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	-11.6	-165.9	0	0	0	0	0	116.1
337	F	41.7	Very low	48.1	Very low	153 Å²	153	120.2 Å²	120.2	67%	0.671	66%	0.664	S	S	*	*			trans	-127.2	62.8	-169.5	-65.1	-73.9	0	0	0	113.6	L333 T339	L333-F337 HydrophobicContact CD2-CD2 4.25Å; L333-F337 HydrophobicContact CD2-CE2 4.05Å; F337-T339 PolarHBondContact O-N 2.81Å
338	H	34.7	Very low	45.8	Very low	167 Å²	167	122.5 Å²	122.5	77%	0.773	68%	0.684	S	S	*	*			trans	-87.6	77.1	170.5	48.6	-97.6	0	0	0	111.6	N340	H338-N340 PolarHBondContact O-N 2.82Å
339	T	39.5	Very low	43.8	Very low	122 Å²	122	130.5 Å²	130.5	75%	0.748	71%	0.714	S	S	*	*			trans	-69.8	125.1	166.3	42	0	0	0	0	110	F337 I341	F337-T339 PolarHBondContact O-N 2.81Å; T339-I341 PolarHBondContact O-N 2.83Å
340	N	31.4	Very low	41.6	Very low	168 Å²	168	130.8 Å²	130.8	90%	0.898	72%	0.722	S	S	*	*			trans	-64.4	100.2	-172.7	-93.8	-41.2	0	0	0	113	H338	H338-N340 PolarHBondContact O-N 2.82Å
341	I	33	Very low	39.4	Very low	160 Å²	160	128.9 Å²	128.9	82%	0.821	73%	0.732	S	S	*	*			trans	-131.6	102.4	163	-58.9	-177	0	0	0	109.4	T339	T339-I341 PolarHBondContact O-N 2.83Å
342	G	30.6	Very low	37.6	Very low	75 Å²	75	129.5 Å²	129.5	77%	0.773	73%	0.729	S	S	*	*			trans	69.2	81.1	156.4	0	0	0	0	0	118.1
343	R	32.9	Very low	36	Very low	252 Å²	252	137 Å²	137	95%	0.951	75%	0.75	S	S	*	*			trans	-145.5	140.4	148.4	-132.7	175.8	-177.6	104.5	-1.5	112.2
344	S	31.1	Very low	34.4	Very low	112 Å²	112	140 Å²	140	78%	0.783	76%	0.763	S	S	*	*			trans	-103.5	150.1	-177.3	49.1	0	0	0	0	112
345	S	30.6	Very low	33.7	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	78%	0.776	S	S	*	*			trans	71.5	124.9	159.6	-165.2	0	0	0	0	119.6
346	A	30.7	Very low	32.9	Very low	81 Å²	81	141.1 Å²	141.1	67%	0.669	77%	0.768	S	S	*	*			trans	74.6	156.6	153.6	0	0	0	0	0	120.3
347	E	31.3	Very low	32.5	Very low	153 Å²	153	145 Å²	145	72%	0.715	79%	0.785	S	S	*	*			trans	58.3	93.2	169.4	-51.4	-45.1	92.6	0	0	119.8
348	P	30.2	Very low	32	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-88	119.6	164	33.8	-28.7	0	0	0	111.5
349	F	32.7	Very low	32	Very low	194 Å²	194	139.6 Å²	139.6	85%	0.851	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-94	120.7	171.3	-101.9	-87.4	0	0	0	112.6
350	N	29.1	Very low	31.8	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.5	142.9	174.3	-97.2	-35.8	0	0	0	112.1
351	C	30	Very low	32	Very low	130 Å²	130	139.4 Å²	139.4	88%	0.878	77%	0.773	S	S	*	*			trans	-129	109.7	144.7	-163.3	0	0	0	0	109.6
352	F	27.2	Very low	32.3	Very low	139 Å²	139	138.7 Å²	138.7	61%	0.61	77%	0.771	S	S	*	*			trans	-57.6	138	-179	-119.7	-123.5	0	0	0	112.6	Q354	F352-Q354 HydrophobicContact CE1-CB 4.37Å
353	Y	32.7	Very low	32.4	Very low	237 Å²	237	141.1 Å²	141.1	93%	0.929	77%	0.766	S	S	*	*				-155.8	132.2	114	-115.8	-78.1	0	0	0	109.6
354	Q	29.2	Very low	32.6	Very low	115 Å²	115	140.1 Å²	140.1	54%	0.537	76%	0.762	S	S	.	*			trans	-133.1	140.8	-161.7	-175.1	178.3	8.6	0	0	111.7	F352 D356	F352-Q354 HydrophobicContact CE1-CB 4.37Å; Q354-D356 PolarHBondContact NE2-OD2 3.06Å
355	S	36.1	Very low	32.9	Very low	127 Å²	127	140.6 Å²	140.6	89%	0.888	76%	0.763	S	S	*	*			trans	-155.8	71.2	166.9	40.7	0	0	0	0	111.2
356	D	31.7	Very low	33.1	Very low	124 Å²	124	141.3 Å²	141.3	66%	0.663	76%	0.762	S	S	*	*			trans	-68.1	142.9	168.8	-75.5	-68.7	0	0	0	112.6	Q354	Q354-D356 PolarHBondContact NE2-OD2 3.06Å
357	V	36.1	Very low	33.3	Very low	152 Å²	152	142.2 Å²	142.2	92%	0.921	76%	0.763	S	S	*	*			trans	-153.9	131.7	130.1	-179.3	0	0	0	0	109.2
358	G	30.8	Very low	33.4	Very low	58 Å²	58	140.9 Å²	140.9	60%	0.598	77%	0.765	S	S	*	*				127.4	36.6	129.8	0	0	0	0	0	124.8
359	I	34.5	Very low	33.6	Very low	147 Å²	147	142.1 Å²	142.1	75%	0.754	76%	0.764	S	S	*	*				59.6	126.7	129.7	-60.3	-70.9	0	0	0	121.4
360	K	36.6	Very low	33.5	Very low	191 Å²	191	137.9 Å²	137.9	83%	0.83	75%	0.751	S	S	*	*			trans	69.2	128.5	161.7	-70.4	162.1	-169.7	177.4	0	117.6
361	S	35.3	Very low	34	Very low	95 Å²	95	140.7 Å²	140.7	66%	0.664	75%	0.751	S	S	*	*			cis	80.1	103	32.3	-159.2	0	0	0	0	115
362	D	38.8	Very low	34.1	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	74%	0.744	S	S	*	*				178.3	165.9	107	-85.3	-14.1	0	0	0	110.8
363	N	33.5	Very low	34.8	Very low	126 Å²	126	143 Å²	143	67%	0.674	76%	0.759	S	S	*	*			cis	174.5	104.5	-36.6	-157.9	-21	0	0	0	106.3
364	R	37.1	Very low	35.1	Very low	232 Å²	232	136.7 Å²	136.7	88%	0.875	75%	0.75	S	S	*	*			trans	142.6	141.4	143.4	-77.4	174.1	-175.2	-146.1	0.6	116.6
365	P	37.5	Very low	35.6	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	76%	0.76	S	S	*	*			trans	-117.5	158.7	176.5	41.1	-32.3	0	0	0	116.1
366	V	34.3	Very low	35.4	Very low	134 Å²	134	138.4 Å²	138.4	81%	0.812	76%	0.758	S	S	*	*			trans	-166.7	149.1	156.2	-89.1	0	0	0	0	108
367	S	34.1	Very low	35.5	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	76%	0.759	S	S	*	*			cis	86.7	131.4	9.1	90.6	0	0	0	0	116.1
368	V	33.6	Very low	35.4	Very low	124 Å²	124	134.1 Å²	134.1	75%	0.752	75%	0.75	S	S	*	*			cis	-147.1	176.2	13.6	-165.1	0	0	0	0	110
369	L	34.7	Very low	35.7	Very low	151 Å²	151	139.2 Å²	139.2	79%	0.791	76%	0.76	S	S	*	*			trans	84.6	131.7	170.7	-61.8	109	0	0	0	117.2
370	D	31.3	Very low	35.8	Very low	105 Å²	105	141.4 Å²	141.4	56%	0.561	77%	0.767	S	S	*	*			cis	105	141.6	16.8	-170.3	32.3	0	0	0	114.8
371	R	38.3	Very low	35.3	Very low	202 Å²	202	136 Å²	136	76%	0.762	77%	0.765	S	S	*	*			trans	81.8	105.7	170.5	-46.8	-162.5	-179.9	-158.2	-8	117.1
372	N	32.3	Very low	35.3	Very low	139 Å²	139	137 Å²	137	74%	0.743	77%	0.773	S	S	*	*				75.2	112.2	71.8	-78.4	-57.9	0	0	0	113.8
373	L	41.4	Very low	35.1	Very low	178 Å²	178	135.2 Å²	135.2	93%	0.932	77%	0.772	S	S	*	*				-161.4	162.1	120.3	-128.5	68	0	0	0	111.3
374	S	39.1	Very low	35.1	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	78%	0.784	S	S	*	*			trans	-139.1	-164.3	-176.4	62.7	0	0	0	0	108.8
375	P	41.4	Very low	34.9	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	77%	0.77	S	S	*	*				-115.6	-164.6	-51.7	36.5	-21.6	0	0	0	110.3
376	L	30.9	Very low	34.8	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	76%	0.761	S	S	*	*			trans	150.6	139.5	132.8	-173.9	65.4	0	0	0	112.9
377	A	34.6	Very low	35.1	Very low	83 Å²	83	129.5 Å²	129.5	69%	0.686	75%	0.749	S	S	*	*			trans	63.2	149.3	167.1	0	0	0	0	0	117.5
378	S	33.8	Very low	35.6	Very low	103 Å²	103	128.5 Å²	128.5	72%	0.72	74%	0.742	S	S	*	*			cis	-159.5	160.5	-13.4	-104.7	0	0	0	0	110.2
379	M	37.4	Very low	36.6	Very low	164 Å²	164	128.4 Å²	128.4	81%	0.808	74%	0.738	S	S	*	*			trans	31.7	111.5	152	-60	173.1	59.3	0	0	119.4
380	E	35.1	Very low	37.9	Very low	193 Å²	193	123 Å²	123	90%	0.902	71%	0.709	S	S	*	*				-178.5	169.8	99.1	-94.5	-170.5	148.1	0	0	111.5
381	G	26.7	Very low	39.9	Very low	77 Å²	77	118.5 Å²	118.5	79%	0.794	69%	0.685	S	S	*	*			trans	-84.7	129.7	-161	0	0	0	0	0	116.1
382	S	36	Very low	41.8	Very low	118 Å²	118	116 Å²	116	83%	0.825	68%	0.676	S	S	*	*			trans	-153.5	134.2	154	-76.2	0	0	0	0	108.5	E384	S382-E384 PolarHBondContact O-N 3.34Å
383	S	34.9	Very low	44.1	Very low	107 Å²	107	114.2 Å²	114.2	75%	0.748	67%	0.666	S	S	*	*			trans	-72.8	116.3	-179.5	38.5	0	0	0	0	111.1	I385	S383-I385 PolarHBondContact O-N 2.77Å
384	E	32	Very low	45.9	Very low	198 Å²	198	110.4 Å²	110.4	93%	0.925	64%	0.639	S	S	*	*			trans	-69.8	97.8	170.5	-70.5	-160.8	119.7	0	0	110	S382	S382-E384 PolarHBondContact O-N 3.34Å
385	I	34.5	Very low	47.9	Very low	116 Å²	116	108.1 Å²	108.1	60%	0.595	62%	0.623	S	S	*	*			trans	-68.7	135.1	172.9	-57.5	173.5	0	0	0	108.1	S383	S383-I385 PolarHBondContact O-N 2.77Å
386	P	34.9	Very low	50	Low	92 Å²	92	107.9 Å²	107.9	60%	0.597	61%	0.612	S	S	*	*			trans	-56.8	154.1	176	23.2	-34.2	0	0	0	111.9	S388	P386-S388 PolarHBondContact O-N 2.77Å
387	P	41.1	Very low	52.5	Low	86 Å²	86	103.3 Å²	103.3	56%	0.558	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	31.4	-163.2	32.4	-38.9	0	0	0	115.6
388	S	43.4	Very low	54.7	Low	79 Å²	79	107 Å²	107	55%	0.552	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-43.5	-173.3	-54.7	0	0	0	0	113.5	P386	P386-S388 PolarHBondContact O-N 2.77Å
389	D	54.8	Low	57.3	Low	123 Å²	123	107.4 Å²	107.4	66%	0.658	60%	0.595	S	S	*	*			trans	-110	71.8	-173.9	-75.3	-44.4	0	0	0	112.8	V391	D389-V391 PolarHBondContact O-N 2.89Å
390	L	62.7	Low	59.8	Low	37 Å²	37	103.4 Å²	103.4	19%	0.194	57%	0.573	C	S	.	*	S	Bend	trans	-75	-7.2	167.7	-125.4	88.4	0	0	0	113.8	I409 V469 H473	L390-I409 HydrophobicContact CD2-CD1 3.43Å; L390-I409 VanDerWaalsContact CD2-CD1 3.43Å; L390-V469 HydrophobicContact CB-CG1 4.02Å; L390-V469 HydrophobicContact CD2-CG1 3.97Å; L390-H473 HydrophobicContact CD2-CB 3.7Å; L390-H473 WeakPolarHBondContact CD2-ND1 3.37Å
391	V	72.7	Confident	62.5	Low	10 Å²	10	94.3 Å²	94.3	6%	0.061	53%	0.531	C	S	.	.	S	Bend	trans	-122.4	105.2	-179.6	-178.2	0	0	0	0	107.6	D389 L403 E404 V405 V469	D389-V391 PolarHBondContact O-N 2.89Å; V391-L403 HydrophobicContact CG1-CB 3.74Å; V391-L403 HydrophobicContact CG1-CD1 3.97Å; V391-L403 HydrophobicContact CG1-CD2 4.16Å; V391-L403 HydrophobicContact CG1-CG 4.17Å; V391-E404 WeakPolarHBondContact CA-O 3.2Å; V391-V405 HydrophobicContact CG1-CG2 4.2Å; V391-V405 HydrophobicContact CG2-CG2 4.32Å; V391-V469 HydrophobicContact CG2-CB 3.82Å; V391-V469 HydrophobicContact CG2-CG1 3.69Å; V391-V469 HydrophobicContact CG2-CG2 3.86Å
392	R	77.9	Confident	65.6	Low	151 Å²	151	92.6 Å²	92.6	57%	0.57	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.7	-177.4	-65.7	-178.5	177.3	177.8	-2.2	110.7	R394 L403 E404	R392-R394 PolarHBondContact O-N 2.94Å; R392-L403 CarbonylContact O-C 3.59Å; R392-L403 WeakPolarHBondContact O-CA 3.21Å; R392-E404 HydrophobicContact CB-CB 4.34Å; R392-E404 PolarHBondContact N-O 3.33Å; R392-E404 VanDerWaalsContact N-O 3.14Å; R392-E404 PolarHBondContact O-N 3.02Å
393	L	81.9	Confident	68.1	Low	100 Å²	100	87 Å²	87	52%	0.524	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.4	168.6	-80.5	156.9	0	0	0	109.2	V401 L403	L393-V401 HydrophobicContact CD2-CG1 3.72Å; L393-L403 HydrophobicContact CD2-CD2 3.56Å; L393-L403 HydrophobicContact CG-CD2 4.09Å
394	R	78.1	Confident	70.6	Confident	98 Å²	98	83.4 Å²	83.4	37%	0.37	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-42.3	179.9	178.5	-177.6	170.7	82.2	1.7	112	R392 E402 E404 I448	R392-R394 PolarHBondContact O-N 2.94Å; R394-E402 HydrophobicContact CB-CB 3.97Å; R394-E402 WeakPolarHBondContact CB-O 3.33Å; R394-E402 WeakPolarHBondContact CD-OE2 3.45Å; R394-E402 HydrophobicContact CG-CB 4.29Å; R394-E402 PolarHBondContact N-O 3.12Å; R394-E402 IonicContact NE-OE2 3.1Å; R394-E402 PolarHBondContact NE-OE2 3.07Å; R394-E402 VanDerWaalsContact NE-OE2 3.1Å; R394-E404 HydrophobicContact CB-CG 3.78Å; R394-E404 WeakPolarHBondContact CD-OE1 3.49Å; R394-E404 HydrophobicContact CG-CG 4.28Å; R394-E404 WeakPolarHBondContact CG-OE1 3.39Å; R394-E404 IonicContact CZ-OE1 3.78Å; R394-E404 IonicContact NH1-OE1 2.75Å; R394-E404 PolarHBondContact NH1-OE1 2.63Å; R394-I448 VanDerWaalsContact CZ-CD1 3.46Å
395	S	81.6	Confident	73.2	Confident	56 Å²	56	74 Å²	74	39%	0.392	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	143.9	178.6	-175.4	0	0	0	0	109.4	V401 E402	S395-V401 WeakPolarHBondContact O-CA 3.41Å; S395-E402 PolarHBondContact N-O 2.64Å; S395-E402 PolarHBondContact O-N 2.91Å
396	E	84.8	Confident	75.6	Confident	111 Å²	111	69.9 Å²	69.9	52%	0.519	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.4	176.6	-177.9	142.8	-132.6	0	0	108.7	V401 R462	E396-V401 HydrophobicContact CB-CG2 4.2Å; E396-V401 HydrophobicContact CG-CG2 3.74Å; E396-V401 VanDerWaalsContact OE1-CG2 3.3Å; E396-V401 WeakPolarHBondContact OE1-CG2 3.38Å; E396-R462 IonicContact OE1-NH1 3.19Å; E396-R462 PolarHBondContact OE1-NH1 3.42Å; E396-R462 IonicContact OE2-NH1 3.86Å; E396-R462 PolarHBondContact OE2-NH1 3.32Å
397	S	83	Confident	78	Confident	68 Å²	68	67.2 Å²	67.2	48%	0.476	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152	-178.2	-68.1	0	0	0	0	108.2	N399 K400	S397-N399 PolarHBondContact O-N 3.02Å; S397-K400 CarbonylContact C-O 3.58Å; S397-K400 WeakPolarHBondContact CA-O 3.43Å; S397-K400 WeakPolarHBondContact CB-O 3.32Å; S397-K400 PolarHBondContact N-O 3.13Å; S397-K400 CarbonylContact O-C 3.29Å; S397-K400 PolarHBondContact O-N 2.87Å
398	L	80.9	Confident	80	Confident	159 Å²	159	68.6 Å²	68.6	83%	0.832	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-34.4	-168.3	-64.5	174.9	0	0	0	115.4
399	N	88.4	Confident	82.1	Confident	113 Å²	113	65.4 Å²	65.4	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	9	-179.9	-56.3	-45.9	0	0	0	114.1	S397 S452 G453	S397-N399 PolarHBondContact O-N 3.02Å; N399-S452 WeakPolarHBondContact O-CA 3.39Å; N399-S452 WeakPolarHBondContact O-CB 3.38Å; N399-G453 VanDerWaalsContact CA-O 3.31Å; N399-G453 WeakPolarHBondContact CA-O 3.36Å; N399-G453 PolarHBondContact O-N 3.47Å
400	K	90.7	Very high	83.7	Confident	80 Å²	80	59.6 Å²	59.6	35%	0.348	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	132.4	-179.8	-166.7	-166.1	-178.1	-164.3	0	112.5	S397 E402 S450 I451	S397-K400 CarbonylContact C-O 3.58Å; S397-K400 WeakPolarHBondContact CA-O 3.43Å; S397-K400 WeakPolarHBondContact CB-O 3.32Å; S397-K400 PolarHBondContact N-O 3.13Å; S397-K400 CarbonylContact O-C 3.29Å; S397-K400 PolarHBondContact O-N 2.87Å; K400-E402 IonicContact NZ-OE1 3.93Å; K400-E402 PolarHBondContact NZ-OE1 3.05Å; K400-S450 VanDerWaalsContact CE-OG 3.29Å; K400-S450 WeakPolarHBondContact CE-OG 3.43Å; K400-S450 PolarHBondContact NZ-OG 3.29Å; K400-I451 CarbonylContact C-O 3.6Å; K400-I451 VanDerWaalsContact CA-O 3.26Å; K400-I451 WeakPolarHBondContact CA-O 3.29Å
401	V	92.1	Very high	84.9	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141	170.3	171.8	0	0	0	0	109.9	L393 S395 E396 L403 I451 I458	L393-V401 HydrophobicContact CD2-CG1 3.72Å; S395-V401 WeakPolarHBondContact O-CA 3.41Å; E396-V401 HydrophobicContact CB-CG2 4.2Å; E396-V401 HydrophobicContact CG-CG2 3.74Å; E396-V401 VanDerWaalsContact OE1-CG2 3.3Å; E396-V401 WeakPolarHBondContact OE1-CG2 3.38Å; V401-L403 HydrophobicContact CG1-CD2 3.75Å; V401-L403 HydrophobicContact CG1-CG 4.1Å; V401-I451 PolarHBondContact N-O 3.41Å; V401-I451 PolarHBondContact O-N 3.43Å; V401-I458 HydrophobicContact CB-CG2 3.97Å; V401-I458 HydrophobicContact CG2-CG2 3.49Å; V401-I458 VanDerWaalsContact CG2-CG2 3.49Å
402	E	90.7	Very high	85.5	Confident	41 Å²	41	60 Å²	60	19%	0.192	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.5	171.7	-65.3	-173.4	-172.8	0	0	110.3	R394 S395 K400 I448 V449	R394-E402 HydrophobicContact CB-CB 3.97Å; R394-E402 WeakPolarHBondContact CB-O 3.33Å; R394-E402 WeakPolarHBondContact CD-OE2 3.45Å; R394-E402 HydrophobicContact CG-CB 4.29Å; R394-E402 PolarHBondContact N-O 3.12Å; R394-E402 IonicContact NE-OE2 3.1Å; R394-E402 PolarHBondContact NE-OE2 3.07Å; R394-E402 VanDerWaalsContact NE-OE2 3.1Å; S395-E402 PolarHBondContact N-O 2.64Å; S395-E402 PolarHBondContact O-N 2.91Å; K400-E402 IonicContact NZ-OE1 3.93Å; K400-E402 PolarHBondContact NZ-OE1 3.05Å; E402-I448 HydrophobicContact CB-CG2 3.92Å; E402-I448 HydrophobicContact CG-CG2 4.21Å; E402-V449 WeakPolarHBondContact CA-O 3.43Å
403	L	89.1	Confident	86	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.1	-179.2	-56.7	175.6	0	0	0	110.2	V391 R392 L393 V401 I448 V449 I451 R462 V465	V391-L403 HydrophobicContact CG1-CB 3.74Å; V391-L403 HydrophobicContact CG1-CD1 3.97Å; V391-L403 HydrophobicContact CG1-CD2 4.16Å; V391-L403 HydrophobicContact CG1-CG 4.17Å; R392-L403 CarbonylContact O-C 3.59Å; R392-L403 WeakPolarHBondContact O-CA 3.21Å; L393-L403 HydrophobicContact CD2-CD2 3.56Å; L393-L403 HydrophobicContact CG-CD2 4.09Å; V401-L403 HydrophobicContact CG1-CD2 3.75Å; V401-L403 HydrophobicContact CG1-CG 4.1Å; L403-I448 CarbonylContact O-C 3.28Å; L403-I448 WeakPolarHBondContact O-CA 3.16Å; L403-V449 HydrophobicContact CB-CB 4.39Å; L403-V449 PolarHBondContact N-O 3.07Å; L403-V449 PolarHBondContact O-N 3.47Å; L403-I451 HydrophobicContact CD1-CD1 3.6Å; L403-I451 HydrophobicContact CD1-CG1 4.5Å; L403-I451 HydrophobicContact CG-CD1 4.45Å; L403-R462 HydrophobicContact CD1-CG 4.14Å; L403-R462 HydrophobicContact CD2-CG 4.45Å; L403-V465 HydrophobicContact CD1-CG1 4.27Å
404	E	87.5	Confident	86.3	Confident	30 Å²	30	50.1 Å²	50.1	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.3	174	-44.2	-157.3	150.3	0	0	110.5	V391 R392 R394 A441 N446	V391-E404 WeakPolarHBondContact CA-O 3.2Å; R392-E404 HydrophobicContact CB-CB 4.34Å; R392-E404 PolarHBondContact N-O 3.33Å; R392-E404 VanDerWaalsContact N-O 3.14Å; R392-E404 PolarHBondContact O-N 3.02Å; R394-E404 HydrophobicContact CB-CG 3.78Å; R394-E404 WeakPolarHBondContact CD-OE1 3.49Å; R394-E404 HydrophobicContact CG-CG 4.28Å; R394-E404 WeakPolarHBondContact CG-OE1 3.39Å; R394-E404 IonicContact CZ-OE1 3.78Å; R394-E404 IonicContact NH1-OE1 2.75Å; R394-E404 PolarHBondContact NH1-OE1 2.63Å; E404-A441 VanDerWaalsContact CD-CB 3.46Å; E404-A441 HydrophobicContact CG-CB 4.45Å; E404-A441 WeakPolarHBondContact OE1-CB 3.33Å; E404-N446 HydrophobicContact CB-CB 4.09Å
405	V	86.9	Confident	86.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.4	-179.9	-176.1	0	0	0	0	108.9	V391 D407 V410 N446 R447 V449 V469	V391-V405 HydrophobicContact CG1-CG2 4.2Å; V391-V405 HydrophobicContact CG2-CG2 4.32Å; V405-D407 PolarHBondContact O-N 2.83Å; V405-V410 HydrophobicContact CB-CB 4.29Å; V405-V410 HydrophobicContact CB-CG2 4.12Å; V405-V410 HydrophobicContact CG1-CB 3.84Å; V405-V410 HydrophobicContact CG1-CG2 4.04Å; V405-N446 CarbonylContact O-C 3.52Å; V405-N446 WeakPolarHBondContact O-CA 3.35Å; V405-R447 PolarHBondContact N-O 3.26Å; V405-R447 PolarHBondContact O-N 3.35Å; V405-V449 HydrophobicContact CB-CG2 4.45Å; V405-V449 HydrophobicContact CG2-CG2 3.86Å; V405-V469 HydrophobicContact CG1-CG1 4.39Å; V405-V469 HydrophobicContact CG1-CG2 3.58Å; V405-V469 HydrophobicContact CG2-CG2 4.2Å
406	P	84.4	Confident	86.8	Confident	31 Å²	31	55.2 Å²	55.2	20%	0.201	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	134.8	175.1	-25.9	35.2	0	0	0	112.4	D408 I409 V410	P406-D408 PolarHBondContact O-N 3.22Å; P406-D408 VanDerWaalsContact O-N 3.15Å; P406-I409 PolarHBondContact O-N 3.13Å; P406-V410 PolarHBondContact O-N 3.49Å
407	D	84.5	Confident	86.8	Confident	35 Å²	35	56.8 Å²	56.8	19%	0.187	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-28.8	180	-174.3	56.9	0	0	0	112.3	V405 I409 R437 R447	V405-D407 PolarHBondContact O-N 2.83Å; D407-I409 VanDerWaalsContact C-N 3.26Å; D407-I409 PolarHBondContact O-N 3.41Å; D407-R437 IonicContact OD1-NE 2.62Å; D407-R437 IonicContact OD2-CZ 2.92Å; D407-R437 IonicContact OD2-NE 3.49Å; D407-R437 PolarHBondContact OD2-NE 2.9Å; D407-R437 IonicContact OD2-NH2 2.64Å; D407-R447 HydrophobicContact CB-CG 4.41Å; D407-R447 WeakPolarHBondContact OD1-CD 3.43Å; D407-R447 IonicContact OD1-CZ 2.64Å; D407-R447 IonicContact OD1-NE 2.64Å; D407-R447 IonicContact OD1-NH1 3.65Å; D407-R447 PolarHBondContact OD1-NH1 2.81Å
408	D	84.5	Confident	87	Confident	116 Å²	116	54.9 Å²	54.9	62%	0.62	29%	0.294	S	S	*	.	H	α-helix	trans	-47.9	-49.8	169.4	-73	-61.1	0	0	0	112	P406 R476	P406-D408 PolarHBondContact O-N 3.22Å; P406-D408 VanDerWaalsContact O-N 3.15Å; D408-R476 PolarHBondContact O-NH1 3.35Å; D408-R476 PolarHBondContact O-NH2 3.47Å
409	I	86.5	Confident	87.5	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-100.4	-25.4	-166.6	-61.4	167.7	0	0	0	111.6	L390 P406 D407 G411 A412 V469 E472 H473	L390-I409 HydrophobicContact CD2-CD1 3.43Å; L390-I409 VanDerWaalsContact CD2-CD1 3.43Å; P406-I409 PolarHBondContact O-N 3.13Å; D407-I409 VanDerWaalsContact C-N 3.26Å; D407-I409 PolarHBondContact O-N 3.41Å; I409-G411 PolarHBondContact O-N 2.9Å; I409-A412 PolarHBondContact O-N 3.15Å; I409-V469 HydrophobicContact CG2-CB 4.24Å; I409-V469 HydrophobicContact CG2-CG1 3.81Å; I409-V469 HydrophobicContact CG2-CG2 4.44Å; I409-E472 HydrophobicContact CG2-CB 4.01Å; I409-E472 HydrophobicContact CG2-CG 3.96Å; I409-H473 HydrophobicContact CD1-CB 4.08Å
410	V	88.1	Confident	87.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-23.4	179.8	84.9	0	0	0	0	113.2	V405 P406 A412 V413 L414 V434 V449	V405-V410 HydrophobicContact CB-CB 4.29Å; V405-V410 HydrophobicContact CB-CG2 4.12Å; V405-V410 HydrophobicContact CG1-CB 3.84Å; V405-V410 HydrophobicContact CG1-CG2 4.04Å; P406-V410 PolarHBondContact O-N 3.49Å; V410-A412 PolarHBondContact O-N 3.41Å; V410-V413 HydrophobicContact CG2-CB 4.47Å; V410-V413 WeakPolarHBondContact O-CB 3.43Å; V410-V413 PolarHBondContact O-N 3.1Å; V410-L414 PolarHBondContact O-N 2.85Å; V410-L414 VanDerWaalsContact O-N 3.13Å; V410-V434 HydrophobicContact CG2-CG1 3.84Å; V410-V449 HydrophobicContact CG2-CG2 4.11Å
411	G	87.8	Confident	87.7	Confident	36 Å²	36	44.5 Å²	44.5	37%	0.371	24%	0.244	S	C	.	.	H	α-helix	trans	-55.9	-29.3	172.2	0	0	0	0	0	114.3	I409 L414 G415	I409-G411 PolarHBondContact O-N 2.9Å; G411-L414 PolarHBondContact O-N 2.84Å; G411-G415 PolarHBondContact O-N 2.81Å
412	A	86.2	Confident	87.8	Confident	20 Å²	20	51.1 Å²	51.1	17%	0.165	27%	0.272	C	S	.	.	H	α-helix	trans	-83.9	-13.3	175.7	0	0	0	0	0	114.3	I409 V410 E472	I409-A412 PolarHBondContact O-N 3.15Å; V410-A412 PolarHBondContact O-N 3.41Å; A412-E472 HydrophobicContact CB-CB 3.4Å; A412-E472 VanDerWaalsContact CB-CB 3.4Å; A412-E472 HydrophobicContact CB-CG 3.51Å
413	V	88.1	Confident	87.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-79.8	-34.1	167.2	-175.1	0	0	0	0	109.8	V410 T420 L421 I424 V465 C468 V469	V410-V413 HydrophobicContact CG2-CB 4.47Å; V410-V413 WeakPolarHBondContact O-CB 3.43Å; V410-V413 PolarHBondContact O-N 3.1Å; V413-T420 CarbonylContact O-C 3.55Å; V413-L421 PolarHBondContact O-N 2.95Å; V413-I424 HydrophobicContact CG1-CD1 3.95Å; V413-V465 HydrophobicContact CG1-CG1 4.21Å; V413-V465 HydrophobicContact CG1-CG2 4.01Å; V413-V465 HydrophobicContact CG2-CG1 4.29Å; V413-C468 HydrophobicContact CG2-CB 4.25Å; V413-V469 HydrophobicContact CG2-CG2 3.59Å
414	L	88.4	Confident	88	Confident	43 Å²	43	53.6 Å²	53.6	23%	0.225	28%	0.284	C	S	.	.	H	α-helix	trans	-71.9	-48	175.1	-65.9	171.3	0	0	0	112.2	V410 G411 G418 D419 T420 L421 V434	V410-L414 PolarHBondContact O-N 2.85Å; V410-L414 VanDerWaalsContact O-N 3.13Å; G411-L414 PolarHBondContact O-N 2.84Å; L414-G418 CarbonylContact O-C 3.51Å; L414-G418 WeakPolarHBondContact O-CA 3.16Å; L414-D419 PolarHBondContact O-N 3.29Å; L414-T420 PolarHBondContact O-N 3.06Å; L414-L421 HydrophobicContact CD2-CD2 4.06Å; L414-L421 PolarHBondContact O-N 3.01Å; L414-L421 VanDerWaalsContact O-N 3.12Å; L414-V434 HydrophobicContact CD2-CB 4.1Å; L414-V434 HydrophobicContact CD2-CG2 3.69Å; L414-V434 HydrophobicContact CG-CG2 4.5Å
415	G	87.5	Confident	88.3	Confident	24 Å²	24	55 Å²	55	25%	0.247	29%	0.291	C	S	.	.			trans	81.7	-175.8	-167.6	0	0	0	0	0	111.8	G411	G411-G415 PolarHBondContact O-N 2.81Å
416	R	83.8	Confident	88.6	Confident	238 Å²	238	62.2 Å²	62.2	90%	0.898	32%	0.324	S	S	*	.	S	Bend	trans	-72.7	-44.8	-168.7	-59.3	-175.5	-163.5	176.4	7.3	112.2	D419	R416-D419 PolarHBondContact N-OD2 3.02Å
417	N	84.5	Confident	89	Confident	144 Å²	144	67.7 Å²	67.7	77%	0.77	35%	0.345	S	S	*	.	S	Bend	trans	-116	16.3	178.9	-47	-50.4	0	0	0	112.4	D419	N417-D419 PolarHBondContact N-OD2 3.28Å; N417-D419 PolarHBondContact ND2-OD1 3.15Å
418	G	87.3	Confident	89.4	Confident	28 Å²	28	66.5 Å²	66.5	29%	0.289	34%	0.339	S	S	.	.	S	Bend	trans	88.9	4.1	-165.2	0	0	0	0	0	113.9	L414 T420 L421 F422	L414-G418 CarbonylContact O-C 3.51Å; L414-G418 WeakPolarHBondContact O-CA 3.16Å; G418-T420 VanDerWaalsContact C-N 3.31Å; G418-T420 PolarHBondContact O-N 3.1Å; G418-L421 WeakPolarHBondContact O-CB 3.43Å; G418-L421 PolarHBondContact O-N 3.46Å; G418-L421 VanDerWaalsContact O-N 3.11Å; G418-F422 PolarHBondContact O-N 2.81Å
419	D	90.7	Very high	89.8	Confident	82 Å²	82	63 Å²	63	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-58	-41.5	-172.6	-32.3	-91.1	0	0	0	112.1	L414 R416 N417 F422 E423	L414-D419 PolarHBondContact O-N 3.29Å; R416-D419 PolarHBondContact N-OD2 3.02Å; N417-D419 PolarHBondContact N-OD2 3.28Å; N417-D419 PolarHBondContact ND2-OD1 3.15Å; D419-F422 PolarHBondContact O-N 2.71Å; D419-E423 WeakPolarHBondContact O-CB 3.46Å; D419-E423 PolarHBondContact O-N 2.69Å
420	T	91.3	Very high	90.2	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-74.1	-34.3	179.4	-53	0	0	0	0	111.7	V413 L414 G418 E423 I424	V413-T420 CarbonylContact O-C 3.55Å; L414-T420 PolarHBondContact O-N 3.06Å; G418-T420 VanDerWaalsContact C-N 3.31Å; G418-T420 PolarHBondContact O-N 3.1Å; T420-E423 PolarHBondContact O-N 2.88Å; T420-I424 HydrophobicContact CG2-CD1 4.16Å; T420-I424 WeakPolarHBondContact O-CB 3.4Å; T420-I424 WeakPolarHBondContact O-CD1 3.22Å; T420-I424 WeakPolarHBondContact O-CG1 3.43Å; T420-I424 PolarHBondContact O-N 2.95Å
421	L	92.6	Very high	90.5	Very high	28 Å²	28	68 Å²	68	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-43.8	172.1	-175.2	70.2	0	0	0	110.8	V413 L414 G418 I424 Q425 V432 V434	V413-L421 PolarHBondContact O-N 2.95Å; L414-L421 HydrophobicContact CD2-CD2 4.06Å; L414-L421 PolarHBondContact O-N 3.01Å; L414-L421 VanDerWaalsContact O-N 3.12Å; G418-L421 WeakPolarHBondContact O-CB 3.43Å; G418-L421 PolarHBondContact O-N 3.46Å; G418-L421 VanDerWaalsContact O-N 3.11Å; L421-I424 PolarHBondContact O-N 3.01Å; L421-Q425 WeakPolarHBondContact O-CG 3.4Å; L421-Q425 PolarHBondContact O-N 3.28Å; L421-V432 HydrophobicContact CD1-CB 4.05Å; L421-V432 HydrophobicContact CD1-CG1 3.75Å; L421-V434 HydrophobicContact CD1-CG2 4.19Å
422	F	93.1	Very high	90.8	Very high	139 Å²	139	66.4 Å²	66.4	61%	0.61	34%	0.336	S	S	*	.	H	α-helix	trans	-65.3	-41.1	176.8	-170.2	-96.1	0	0	0	111.7	G418 D419 I424 Q425 H426	G418-F422 PolarHBondContact O-N 2.81Å; D419-F422 PolarHBondContact O-N 2.71Å; F422-I424 PolarHBondContact O-N 3.03Å; F422-Q425 PolarHBondContact O-N 3.47Å; F422-H426 VanDerWaalsContact O-CB 3.25Å; F422-H426 WeakPolarHBondContact O-CB 3.24Å; F422-H426 PolarHBondContact O-N 3.28Å
423	E	92.4	Very high	91.1	Very high	89 Å²	89	70 Å²	70	42%	0.416	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-44.4	172.7	-170.9	-169.2	170.7	0	0	111.8	D419 T420 H426 K427	D419-E423 WeakPolarHBondContact O-CB 3.46Å; D419-E423 PolarHBondContact O-N 2.69Å; T420-E423 PolarHBondContact O-N 2.88Å; E423-H426 PolarHBondContact O-N 2.96Å; E423-K427 HydrophobicContact CG-CD 4.01Å; E423-K427 WeakPolarHBondContact O-CB 3.47Å; E423-K427 WeakPolarHBondContact O-CG 3.45Å; E423-K427 PolarHBondContact O-N 3.25Å; E423-K427 WeakPolarHBondContact OE1-CE 3.44Å; E423-K427 IonicContact OE1-NZ 3.69Å; E423-K427 PolarHBondContact OE1-NZ 2.76Å
424	I	92.5	Very high	91.2	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-46.9	176.2	-70.3	165	0	0	0	110.8	V413 T420 L421 F422 S428 V432 A464 V465	V413-I424 HydrophobicContact CG1-CD1 3.95Å; T420-I424 HydrophobicContact CG2-CD1 4.16Å; T420-I424 WeakPolarHBondContact O-CB 3.4Å; T420-I424 WeakPolarHBondContact O-CD1 3.22Å; T420-I424 WeakPolarHBondContact O-CG1 3.43Å; T420-I424 PolarHBondContact O-N 2.95Å; L421-I424 PolarHBondContact O-N 3.01Å; F422-I424 PolarHBondContact O-N 3.03Å; I424-S428 VanDerWaalsContact O-CB 3.24Å; I424-S428 WeakPolarHBondContact O-CB 3.29Å; I424-S428 PolarHBondContact O-N 3.18Å; I424-S428 PolarHBondContact O-OG 2.7Å; I424-V432 HydrophobicContact CG2-CG2 4.17Å; I424-A464 HydrophobicContact CG1-CB 4.14Å; I424-A464 HydrophobicContact CG2-CB 4.15Å; I424-V465 HydrophobicContact CD1-CG2 4.42Å; I424-V465 HydrophobicContact CG2-CG2 4.33Å
425	Q	93.5	Very high	91.1	Very high	60 Å²	60	70.4 Å²	70.4	28%	0.28	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-48.1	177	-72.3	179.1	7	0	0	111.2	L421 F422 S428 G429 A430 V432	L421-Q425 WeakPolarHBondContact O-CG 3.4Å; L421-Q425 PolarHBondContact O-N 3.28Å; F422-Q425 PolarHBondContact O-N 3.47Å; Q425-S428 PolarHBondContact O-OG 2.82Å; Q425-G429 WeakPolarHBondContact O-CA 3.36Å; Q425-G429 PolarHBondContact O-N 3.22Å; Q425-A430 WeakPolarHBondContact CA-O 3.23Å; Q425-V432 HydrophobicContact CG-CB 4.01Å; Q425-V432 HydrophobicContact CG-CG2 4.24Å; Q425-V432 PolarHBondContact NE2-O 2.95Å
426	H	93.9	Very high	90.8	Very high	151 Å²	151	76.1 Å²	76.1	70%	0.699	38%	0.375	S	S	*	.	H	α-helix	trans	-64.3	-44.3	-178.9	-174	73.9	0	0	0	112.6	F422 E423	F422-H426 VanDerWaalsContact O-CB 3.25Å; F422-H426 WeakPolarHBondContact O-CB 3.24Å; F422-H426 PolarHBondContact O-N 3.28Å; E423-H426 PolarHBondContact O-N 2.96Å
427	K	92.7	Very high	90.3	Very high	146 Å²	146	72.6 Å²	72.6	64%	0.635	36%	0.361	S	S	*	.	H	α-helix	trans	-73.3	-31.2	179.5	-73.1	-178.6	174.5	176.8	0	114.1	E423	E423-K427 HydrophobicContact CG-CD 4.01Å; E423-K427 WeakPolarHBondContact O-CB 3.47Å; E423-K427 WeakPolarHBondContact O-CG 3.45Å; E423-K427 PolarHBondContact O-N 3.25Å; E423-K427 WeakPolarHBondContact OE1-CE 3.44Å; E423-K427 IonicContact OE1-NZ 3.69Å; E423-K427 PolarHBondContact OE1-NZ 2.76Å
428	S	92.7	Very high	89.4	Confident	9 Å²	9	70 Å²	70	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-88.6	-28.1	179.8	63.5	0	0	0	0	113.5	I424 Q425 A430 Q457	I424-S428 VanDerWaalsContact O-CB 3.24Å; I424-S428 WeakPolarHBondContact O-CB 3.29Å; I424-S428 PolarHBondContact O-N 3.18Å; I424-S428 PolarHBondContact O-OG 2.7Å; Q425-S428 PolarHBondContact O-OG 2.82Å; S428-A430 PolarHBondContact O-N 2.73Å; S428-A430 PolarHBondContact OG-N 3.39Å; S428-A430 VanDerWaalsContact OG-N 3.08Å; S428-Q457 WeakPolarHBondContact O-CA 3.27Å; S428-Q457 WeakPolarHBondContact O-CB 3.25Å; S428-Q457 WeakPolarHBondContact O-CG 3.49Å
429	G	93	Very high	88.4	Confident	44 Å²	44	71.7 Å²	71.7	45%	0.454	36%	0.362	S	S	.	.			trans	71.2	5.6	-165.4	0	0	0	0	0	113.9	Q425 Q457	Q425-G429 WeakPolarHBondContact O-CA 3.36Å; Q425-G429 PolarHBondContact O-N 3.22Å; G429-Q457 PolarHBondContact O-NE2 3.47Å
430	A	93.6	Very high	87.2	Confident	4 Å²	4	72.6 Å²	72.6	3%	0.033	36%	0.36	C	S	.	.			trans	-91.8	146.3	177.7	0	0	0	0	0	111.3	Q425 S428 V432 I451 S452 Q457 A461	Q425-A430 WeakPolarHBondContact CA-O 3.23Å; S428-A430 PolarHBondContact O-N 2.73Å; S428-A430 PolarHBondContact OG-N 3.39Å; S428-A430 VanDerWaalsContact OG-N 3.08Å; A430-V432 HydrophobicContact CB-CG2 4.31Å; A430-V432 PolarHBondContact O-N 2.72Å; A430-I451 HydrophobicContact CB-CG2 3.95Å; A430-S452 WeakPolarHBondContact CA-O 3.43Å; A430-Q457 HydrophobicContact CB-CB 4.04Å; A430-A461 HydrophobicContact CB-CB 3.7Å
431	K	95.1	Very high	85.8	Confident	113 Å²	113	71.5 Å²	71.5	49%	0.491	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.6	168.7	-174.9	-168.4	-180	-145.2	0	108.6	E433 S452	K431-E433 WeakPolarHBondContact CE-OE1 3.39Å; K431-E433 IonicContact NZ-OE1 3.03Å; K431-E433 PolarHBondContact NZ-OE1 2.9Å; K431-E433 IonicContact NZ-OE2 3.88Å; K431-E433 PolarHBondContact NZ-OE2 3.09Å; K431-S452 PolarHBondContact N-O 2.97Å; K431-S452 PolarHBondContact O-N 2.96Å; K431-S452 PolarHBondContact O-OG 3.41Å; K431-S452 VanDerWaalsContact O-OG 3.09Å
432	V	94	Very high	84.2	Confident	1 Å²	1	74 Å²	74	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115	-177.1	-174.8	0	0	0	0	110.1	L421 I424 Q425 A430 V449 S450 I451 A461	L421-V432 HydrophobicContact CD1-CB 4.05Å; L421-V432 HydrophobicContact CD1-CG1 3.75Å; I424-V432 HydrophobicContact CG2-CG2 4.17Å; Q425-V432 HydrophobicContact CG-CB 4.01Å; Q425-V432 HydrophobicContact CG-CG2 4.24Å; Q425-V432 PolarHBondContact NE2-O 2.95Å; A430-V432 HydrophobicContact CB-CG2 4.31Å; A430-V432 PolarHBondContact O-N 2.72Å; V432-V449 HydrophobicContact CG1-CG1 3.62Å; V432-S450 CarbonylContact C-O 3.51Å; V432-S450 WeakPolarHBondContact CA-O 3.4Å; V432-I451 HydrophobicContact CG1-CG1 4.21Å; V432-I451 HydrophobicContact CG2-CG1 4.28Å; V432-I451 HydrophobicContact CG2-CG2 4.33Å; V432-A461 HydrophobicContact CG2-CB 4.02Å
433	E	92	Very high	82.7	Confident	95 Å²	95	77.8 Å²	77.8	44%	0.444	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.9	-179.9	-65.7	-179.2	143.2	0	0	110.2	K431 V449 S450	K431-E433 WeakPolarHBondContact CE-OE1 3.39Å; K431-E433 IonicContact NZ-OE1 3.03Å; K431-E433 PolarHBondContact NZ-OE1 2.9Å; K431-E433 IonicContact NZ-OE2 3.88Å; K431-E433 PolarHBondContact NZ-OE2 3.09Å; E433-V449 CarbonylContact O-C 3.56Å; E433-S450 PolarHBondContact N-O 3.48Å; E433-S450 PolarHBondContact O-N 2.88Å
434	V	90.6	Very high	81.4	Confident	28 Å²	28	75.4 Å²	75.4	17%	0.17	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.8	174.4	-170.2	0	0	0	0	108.9	V410 L414 L421 V449	V410-V434 HydrophobicContact CG2-CG1 3.84Å; L414-V434 HydrophobicContact CD2-CB 4.1Å; L414-V434 HydrophobicContact CD2-CG2 3.69Å; L414-V434 HydrophobicContact CG-CG2 4.5Å; L421-V434 HydrophobicContact CD1-CG2 4.19Å; V434-V449 HydrophobicContact CG1-CG2 4.28Å; V434-V449 HydrophobicContact CG2-CG1 4.41Å; V434-V449 HydrophobicContact CG2-CG2 4.23Å
435	S	85.7	Confident	80.6	Confident	24 Å²	24	83.3 Å²	83.3	17%	0.168	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-47	147.9	172.1	51.3	0	0	0	0	112.8	R447 I448	S435-R447 VanDerWaalsContact O-CZ 3.24Å; S435-R447 PolarHBondContact O-NE 2.83Å; S435-R447 PolarHBondContact O-NH2 2.61Å; S435-I448 VanDerWaalsContact CB-O 3.32Å; S435-I448 WeakPolarHBondContact CB-O 3.42Å; S435-I448 PolarHBondContact N-O 3.05Å; S435-I448 PolarHBondContact OG-N 3.18Å; S435-I448 PolarHBondContact OG-O 2.73Å
436	Q	82.5	Confident	80.1	Confident	144 Å²	144	82 Å²	82	67%	0.673	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-64.9	158.1	174.3	-63.4	-175.1	7.9	0	0	111.1	S438 S439	Q436-S438 WeakPolarHBondContact CB-OG 3.26Å; Q436-S438 PolarHBondContact O-N 3.29Å; Q436-S438 PolarHBondContact OE1-OG 3.36Å; Q436-S439 PolarHBondContact O-N 2.86Å
437	R	72.9	Confident	79.8	Confident	165 Å²	165	75.7 Å²	75.7	62%	0.623	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-0.9	173	-78.9	-177.5	168	148.4	-1.7	114.9	D407 Y440	D407-R437 IonicContact OD1-NE 2.62Å; D407-R437 IonicContact OD2-CZ 2.92Å; D407-R437 IonicContact OD2-NE 3.49Å; D407-R437 PolarHBondContact OD2-NE 2.9Å; D407-R437 IonicContact OD2-NH2 2.64Å; R437-Y440 WeakPolarHBondContact O-CE2 3.4Å; R437-Y440 PolarHBondContact O-OH 2.52Å
438	S	65.5	Low	79.6	Confident	90 Å²	90	69.4 Å²	69.4	63%	0.629	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-16.1	171.5	47.6	0	0	0	0	113.3	Q436	Q436-S438 WeakPolarHBondContact CB-OG 3.26Å; Q436-S438 PolarHBondContact O-N 3.29Å; Q436-S438 PolarHBondContact OE1-OG 3.36Å
439	S	66.1	Low	79.5	Confident	62 Å²	62	69 Å²	69	43%	0.434	35%	0.35	S	S	.	.			trans	-114.2	79.2	-174.1	-170	0	0	0	0	110.2	Q436	Q436-S439 PolarHBondContact O-N 2.86Å
440	Y	66.2	Low	79.5	Confident	101 Å²	101	67.8 Å²	67.8	40%	0.396	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-82.1	156.6	176.6	-62.9	-76.4	0	0	0	111.7	R437 K445 N446 R447	R437-Y440 WeakPolarHBondContact O-CE2 3.4Å; R437-Y440 PolarHBondContact O-OH 2.52Å; Y440-K445 HydrophobicContact CE1-CB 4.42Å; Y440-N446 WeakPolarHBondContact CA-O 3.4Å; Y440-R447 HydrophobicContact CD1-CG 4.43Å
441	A	61	Low	79.5	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.008	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-61.1	140.6	160.4	0	0	0	0	0	110.2	E404 S444 N446 I448	E404-A441 VanDerWaalsContact CD-CB 3.46Å; E404-A441 HydrophobicContact CG-CB 4.45Å; E404-A441 WeakPolarHBondContact OE1-CB 3.33Å; A441-S444 PolarHBondContact O-N 2.68Å; A441-S444 VanDerWaalsContact O-O 3.11Å; A441-N446 HydrophobicContact CB-CB 4.39Å; A441-N446 PolarHBondContact N-O 2.81Å; A441-I448 HydrophobicContact CB-CG1 4.36Å
442	P	59.8	Low	79.4	Confident	81 Å²	81	63.8 Å²	63.8	53%	0.526	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	144.2	-178.9	29.3	-33.9	0	0	0	109.9	S444	P442-S444 PolarHBondContact O-N 2.75Å
443	F	61.1	Low	79.4	Confident	218 Å²	218	64.9 Å²	64.9	96%	0.956	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	11.1	-177.4	-44	-77.5	0	0	0	116.4
444	S	65.9	Low	79.5	Confident	40 Å²	40	62.9 Å²	62.9	28%	0.28	33%	0.329	S	S	.	.	S	Bend	trans	-144.4	170.7	174.9	75.9	0	0	0	0	113.6	A441 P442 N446	A441-S444 PolarHBondContact O-N 2.68Å; A441-S444 VanDerWaalsContact O-O 3.11Å; P442-S444 PolarHBondContact O-N 2.75Å; S444-N446 VanDerWaalsContact C-N 3.3Å; S444-N446 WeakPolarHBondContact OG-CB 3.49Å; S444-N446 PolarHBondContact OG-N 3.48Å; S444-N446 PolarHBondContact OG-ND2 3.02Å
445	K	74.3	Confident	79.4	Confident	172 Å²	172	65.6 Å²	65.6	75%	0.748	35%	0.349	S	S	*	.	S	Bend	trans	-94.5	19	169	-63	-178	-178.1	176.1	0	112.2	Y440	Y440-K445 HydrophobicContact CE1-CB 4.42Å
446	N	83.9	Confident	79.7	Confident	32 Å²	32	68 Å²	68	17%	0.171	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140.2	179.2	-60.2	-19.7	0	0	0	110.1	E404 V405 Y440 A441 S444	E404-N446 HydrophobicContact CB-CB 4.09Å; V405-N446 CarbonylContact O-C 3.52Å; V405-N446 WeakPolarHBondContact O-CA 3.35Å; Y440-N446 WeakPolarHBondContact CA-O 3.4Å; A441-N446 HydrophobicContact CB-CB 4.39Å; A441-N446 PolarHBondContact N-O 2.81Å; S444-N446 VanDerWaalsContact C-N 3.3Å; S444-N446 WeakPolarHBondContact OG-CB 3.49Å; S444-N446 PolarHBondContact OG-N 3.48Å; S444-N446 PolarHBondContact OG-ND2 3.02Å
447	R	86.6	Confident	80.2	Confident	19 Å²	19	64.2 Å²	64.2	7%	0.072	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.1	169.5	-79.9	169.4	70	-160.8	-1.2	110.1	V405 D407 S435 Y440	V405-R447 PolarHBondContact N-O 3.26Å; V405-R447 PolarHBondContact O-N 3.35Å; D407-R447 HydrophobicContact CB-CG 4.41Å; D407-R447 WeakPolarHBondContact OD1-CD 3.43Å; D407-R447 IonicContact OD1-CZ 2.64Å; D407-R447 IonicContact OD1-NE 2.64Å; D407-R447 IonicContact OD1-NH1 3.65Å; D407-R447 PolarHBondContact OD1-NH1 2.81Å; S435-R447 VanDerWaalsContact O-CZ 3.24Å; S435-R447 PolarHBondContact O-NE 2.83Å; S435-R447 PolarHBondContact O-NH2 2.61Å; Y440-R447 HydrophobicContact CD1-CG 4.43Å
448	I	88.3	Confident	81.2	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.077	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.1	179.4	-53.2	159.8	0	0	0	108.7	R394 E402 L403 S435 A441	R394-I448 VanDerWaalsContact CZ-CD1 3.46Å; E402-I448 HydrophobicContact CB-CG2 3.92Å; E402-I448 HydrophobicContact CG-CG2 4.21Å; L403-I448 CarbonylContact O-C 3.28Å; L403-I448 WeakPolarHBondContact O-CA 3.16Å; S435-I448 VanDerWaalsContact CB-O 3.32Å; S435-I448 WeakPolarHBondContact CB-O 3.42Å; S435-I448 PolarHBondContact N-O 3.05Å; S435-I448 PolarHBondContact OG-N 3.18Å; S435-I448 PolarHBondContact OG-O 2.73Å; A441-I448 HydrophobicContact CB-CG1 4.36Å
449	V	91.9	Very high	82.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.2	168.8	-177.1	0	0	0	0	107.5	E402 L403 V405 V410 V432 E433 V434 I451 V465	E402-V449 WeakPolarHBondContact CA-O 3.43Å; L403-V449 HydrophobicContact CB-CB 4.39Å; L403-V449 PolarHBondContact N-O 3.07Å; L403-V449 PolarHBondContact O-N 3.47Å; V405-V449 HydrophobicContact CB-CG2 4.45Å; V405-V449 HydrophobicContact CG2-CG2 3.86Å; V410-V449 HydrophobicContact CG2-CG2 4.11Å; V432-V449 HydrophobicContact CG1-CG1 3.62Å; E433-V449 CarbonylContact O-C 3.56Å; V434-V449 HydrophobicContact CG1-CG2 4.28Å; V434-V449 HydrophobicContact CG2-CG1 4.41Å; V434-V449 HydrophobicContact CG2-CG2 4.23Å; V449-I451 HydrophobicContact CG1-CG1 4.28Å; V449-V465 HydrophobicContact CG1-CG2 4.47Å
450	S	92.5	Very high	83.5	Confident	19 Å²	19	58 Å²	58	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.4	173.6	-75.9	0	0	0	0	109.9	K400 V432 E433	K400-S450 VanDerWaalsContact CE-OG 3.29Å; K400-S450 WeakPolarHBondContact CE-OG 3.43Å; K400-S450 PolarHBondContact NZ-OG 3.29Å; V432-S450 CarbonylContact C-O 3.51Å; V432-S450 WeakPolarHBondContact CA-O 3.4Å; E433-S450 PolarHBondContact N-O 3.48Å; E433-S450 PolarHBondContact O-N 2.88Å
451	I	94.5	Very high	84.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.4	174.6	-57.4	-179.8	0	0	0	107.7	K400 V401 L403 A430 V432 V449 I458 A461 R462 V465	K400-I451 CarbonylContact C-O 3.6Å; K400-I451 VanDerWaalsContact CA-O 3.26Å; K400-I451 WeakPolarHBondContact CA-O 3.29Å; V401-I451 PolarHBondContact N-O 3.41Å; V401-I451 PolarHBondContact O-N 3.43Å; L403-I451 HydrophobicContact CD1-CD1 3.6Å; L403-I451 HydrophobicContact CD1-CG1 4.5Å; L403-I451 HydrophobicContact CG-CD1 4.45Å; A430-I451 HydrophobicContact CB-CG2 3.95Å; V432-I451 HydrophobicContact CG1-CG1 4.21Å; V432-I451 HydrophobicContact CG2-CG1 4.28Å; V432-I451 HydrophobicContact CG2-CG2 4.33Å; V449-I451 HydrophobicContact CG1-CG1 4.28Å; I451-I458 HydrophobicContact CG2-CB 4.25Å; I451-I458 HydrophobicContact CG2-CG1 4.08Å; I451-I458 HydrophobicContact CG2-CG2 4.21Å; I451-A461 HydrophobicContact CD1-CB 4.04Å; I451-A461 HydrophobicContact CG2-CB 3.57Å; I451-R462 HydrophobicContact CD1-CB 4.27Å; I451-V465 HydrophobicContact CD1-CG2 4.32Å
452	S	93	Very high	86.3	Confident	32 Å²	32	56.8 Å²	56.8	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.9	179.3	54.3	0	0	0	0	112.7	N399 A430 K431	N399-S452 WeakPolarHBondContact O-CA 3.39Å; N399-S452 WeakPolarHBondContact O-CB 3.38Å; A430-S452 WeakPolarHBondContact CA-O 3.43Å; K431-S452 PolarHBondContact N-O 2.97Å; K431-S452 PolarHBondContact O-N 2.96Å; K431-S452 PolarHBondContact O-OG 3.41Å; K431-S452 VanDerWaalsContact O-OG 3.09Å
453	G	92.6	Very high	87.7	Confident	25 Å²	25	55.1 Å²	55.1	26%	0.258	30%	0.301	S	S	.	.	S	Bend	trans	148.1	-162.2	-172.3	0	0	0	0	0	111.3	N399 I458	N399-G453 VanDerWaalsContact CA-O 3.31Å; N399-G453 WeakPolarHBondContact CA-O 3.36Å; N399-G453 PolarHBondContact O-N 3.47Å; G453-I458 VanDerWaalsContact O-CD1 3.31Å; G453-I458 WeakPolarHBondContact O-CD1 3.49Å
454	S	93.6	Very high	89.1	Confident	53 Å²	53	46.2 Å²	46.2	37%	0.371	27%	0.268	S	S	.	.			trans	-74.1	157.2	168.9	65.7	0	0	0	0	111.7	S456 Q457 I458	S454-S456 PolarHBondContact O-N 2.91Å; S454-S456 VanDerWaalsContact O-N 3.11Å; S454-Q457 PolarHBondContact O-N 3.18Å; S454-Q457 VanDerWaalsContact OG-CD 3.28Å; S454-Q457 WeakPolarHBondContact OG-CG 3.48Å; S454-Q457 PolarHBondContact OG-OE1 2.95Å; S454-I458 WeakPolarHBondContact O-CG1 3.39Å; S454-I458 PolarHBondContact O-N 2.84Å
455	S	90.3	Very high	90.4	Very high	84 Å²	84	44.3 Å²	44.3	59%	0.587	25%	0.254	S	S	*	.	H	α-helix	trans	-49.9	-37.6	178.6	174.1	0	0	0	0	114.2	S459	S455-S459 VanDerWaalsContact O-CB 3.31Å; S455-S459 WeakPolarHBondContact O-CB 3.25Å; S455-S459 PolarHBondContact O-N 3.41Å; S455-S459 PolarHBondContact O-OG 2.62Å
456	S	90.8	Very high	91.1	Very high	74 Å²	74	38.1 Å²	38.1	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-67.8	-44.7	175.9	-176.6	0	0	0	0	112.5	S454 S459 K460	S454-S456 PolarHBondContact O-N 2.91Å; S454-S456 VanDerWaalsContact O-N 3.11Å; S456-S459 PolarHBondContact O-N 2.92Å; S456-K460 WeakPolarHBondContact O-CG 3.25Å; S456-K460 PolarHBondContact O-N 2.62Å
457	Q	93.7	Very high	91.3	Very high	66 Å²	66	42.2 Å²	42.2	31%	0.308	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-43.6	176.1	-65.5	164.3	-52.3	0	0	111	S428 G429 A430 S454 S459 K460 A461	S428-Q457 WeakPolarHBondContact O-CA 3.27Å; S428-Q457 WeakPolarHBondContact O-CB 3.25Å; S428-Q457 WeakPolarHBondContact O-CG 3.49Å; G429-Q457 PolarHBondContact O-NE2 3.47Å; A430-Q457 HydrophobicContact CB-CB 4.04Å; S454-Q457 PolarHBondContact O-N 3.18Å; S454-Q457 VanDerWaalsContact OG-CD 3.28Å; S454-Q457 WeakPolarHBondContact OG-CG 3.48Å; S454-Q457 PolarHBondContact OG-OE1 2.95Å; Q457-S459 PolarHBondContact O-N 2.96Å; Q457-K460 PolarHBondContact O-N 3.01Å; Q457-A461 WeakPolarHBondContact O-CB 3.4Å; Q457-A461 PolarHBondContact O-N 3.15Å
458	I	93.3	Very high	91.3	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-46.4	175.1	-68.9	170.5	0	0	0	110.7	V401 I451 G453 S454 K460 A461 R462	V401-I458 HydrophobicContact CB-CG2 3.97Å; V401-I458 HydrophobicContact CG2-CG2 3.49Å; V401-I458 VanDerWaalsContact CG2-CG2 3.49Å; I451-I458 HydrophobicContact CG2-CB 4.25Å; I451-I458 HydrophobicContact CG2-CG1 4.08Å; I451-I458 HydrophobicContact CG2-CG2 4.21Å; G453-I458 VanDerWaalsContact O-CD1 3.31Å; G453-I458 WeakPolarHBondContact O-CD1 3.49Å; S454-I458 WeakPolarHBondContact O-CG1 3.39Å; S454-I458 PolarHBondContact O-N 2.84Å; I458-K460 PolarHBondContact O-N 3.13Å; I458-A461 PolarHBondContact O-N 2.72Å; I458-R462 WeakPolarHBondContact O-CB 3.28Å; I458-R462 PolarHBondContact O-N 2.86Å
459	S	89.8	Confident	91.3	Very high	53 Å²	53	41 Å²	41	37%	0.371	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-43.9	179.6	-63.4	0	0	0	0	112.1	S455 S456 Q457 R462 A463	S455-S459 VanDerWaalsContact O-CB 3.31Å; S455-S459 WeakPolarHBondContact O-CB 3.25Å; S455-S459 PolarHBondContact O-N 3.41Å; S455-S459 PolarHBondContact O-OG 2.62Å; S456-S459 PolarHBondContact O-N 2.92Å; Q457-S459 PolarHBondContact O-N 2.96Å; S459-R462 PolarHBondContact O-N 3.25Å; S459-A463 PolarHBondContact O-N 2.89Å; S459-A463 VanDerWaalsContact O-N 3.08Å
460	K	91	Very high	91.1	Very high	127 Å²	127	43.7 Å²	43.7	55%	0.552	26%	0.259	S	S	*	.	H	α-helix	trans	-62.2	-45.1	174.3	-71.2	179.2	-179.9	-170.8	0	112.1	S456 Q457 I458 A463 A464	S456-K460 WeakPolarHBondContact O-CG 3.25Å; S456-K460 PolarHBondContact O-N 2.62Å; Q457-K460 PolarHBondContact O-N 3.01Å; I458-K460 PolarHBondContact O-N 3.13Å; K460-A463 PolarHBondContact O-N 2.86Å; K460-A464 WeakPolarHBondContact O-CB 3.27Å; K460-A464 PolarHBondContact O-N 3.46Å
461	A	92.9	Very high	90.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-42.9	178.3	0	0	0	0	0	112.4	A430 V432 I451 Q457 I458 A463 A464 V465	A430-A461 HydrophobicContact CB-CB 3.7Å; V432-A461 HydrophobicContact CG2-CB 4.02Å; I451-A461 HydrophobicContact CD1-CB 4.04Å; I451-A461 HydrophobicContact CG2-CB 3.57Å; Q457-A461 WeakPolarHBondContact O-CB 3.4Å; Q457-A461 PolarHBondContact O-N 3.15Å; I458-A461 PolarHBondContact O-N 2.72Å; A461-A463 PolarHBondContact O-N 3.04Å; A461-A464 PolarHBondContact O-N 3.37Å; A461-V465 WeakPolarHBondContact O-CG2 3.46Å; A461-V465 PolarHBondContact O-N 3.33Å
462	R	92.7	Very high	90.1	Very high	77 Å²	77	50.1 Å²	50.1	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-49.1	175.3	-178.5	168.9	73	-167.7	1.7	110.7	E396 L403 I451 I458 S459 A464 V465 T466	E396-R462 IonicContact OE1-NH1 3.19Å; E396-R462 PolarHBondContact OE1-NH1 3.42Å; E396-R462 IonicContact OE2-NH1 3.86Å; E396-R462 PolarHBondContact OE2-NH1 3.32Å; L403-R462 HydrophobicContact CD1-CG 4.14Å; L403-R462 HydrophobicContact CD2-CG 4.45Å; I451-R462 HydrophobicContact CD1-CB 4.27Å; I458-R462 WeakPolarHBondContact O-CB 3.28Å; I458-R462 PolarHBondContact O-N 2.86Å; S459-R462 PolarHBondContact O-N 3.25Å; R462-A464 PolarHBondContact O-N 3.1Å; R462-V465 PolarHBondContact O-N 2.98Å; R462-T466 PolarHBondContact O-N 2.89Å; R462-T466 PolarHBondContact O-OG1 3.41Å
463	A	89.2	Confident	89.6	Confident	45 Å²	45	50.3 Å²	50.3	37%	0.372	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-42.9	176.4	0	0	0	0	0	112.6	S459 K460 A461 H467	S459-A463 PolarHBondContact O-N 2.89Å; S459-A463 VanDerWaalsContact O-N 3.08Å; K460-A463 PolarHBondContact O-N 2.86Å; A461-A463 PolarHBondContact O-N 3.04Å; A463-H467 VanDerWaalsContact O-CB 3.32Å; A463-H467 WeakPolarHBondContact O-CB 3.24Å; A463-H467 PolarHBondContact O-N 2.88Å
464	A	91.4	Very high	88.9	Confident	31 Å²	31	54.2 Å²	54.2	26%	0.256	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-39.5	178.6	0	0	0	0	0	113.2	I424 K460 A461 R462 C468	I424-A464 HydrophobicContact CG1-CB 4.14Å; I424-A464 HydrophobicContact CG2-CB 4.15Å; K460-A464 WeakPolarHBondContact O-CB 3.27Å; K460-A464 PolarHBondContact O-N 3.46Å; A461-A464 PolarHBondContact O-N 3.37Å; R462-A464 PolarHBondContact O-N 3.1Å; A464-C468 PolarHBondContact O-N 2.86Å; A464-C468 PolarHBondContact O-SG 3.26Å
465	V	91.5	Very high	88.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-51.5	173.8	170.4	0	0	0	0	110.4	L403 V413 I424 V449 I451 A461 R462 H467 C468 V469	L403-V465 HydrophobicContact CD1-CG1 4.27Å; V413-V465 HydrophobicContact CG1-CG1 4.21Å; V413-V465 HydrophobicContact CG1-CG2 4.01Å; V413-V465 HydrophobicContact CG2-CG1 4.29Å; I424-V465 HydrophobicContact CD1-CG2 4.42Å; I424-V465 HydrophobicContact CG2-CG2 4.33Å; V449-V465 HydrophobicContact CG1-CG2 4.47Å; I451-V465 HydrophobicContact CD1-CG2 4.32Å; A461-V465 WeakPolarHBondContact O-CG2 3.46Å; A461-V465 PolarHBondContact O-N 3.33Å; R462-V465 PolarHBondContact O-N 2.98Å; V465-H467 VanDerWaalsContact C-N 3.3Å; V465-H467 PolarHBondContact O-N 3.31Å; V465-C468 PolarHBondContact O-N 3.46Å; V465-C468 VanDerWaalsContact O-N 3.1Å; V465-V469 HydrophobicContact CG1-CG2 4.41Å; V465-V469 WeakPolarHBondContact O-CG2 3.22Å; V465-V469 PolarHBondContact O-N 3.33Å
466	T	89.3	Confident	87.8	Confident	42 Å²	42	57.1 Å²	57.1	26%	0.258	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-40	177.8	-60.1	0	0	0	0	111.9	R462 C468 V469 N470	R462-T466 PolarHBondContact O-N 2.89Å; R462-T466 PolarHBondContact O-OG1 3.41Å; T466-C468 PolarHBondContact O-N 2.91Å; T466-V469 PolarHBondContact O-N 3.48Å; T466-N470 WeakPolarHBondContact O-CB 3.31Å; T466-N470 VanDerWaalsContact O-CG 3.3Å; T466-N470 PolarHBondContact O-N 3.33Å
467	H	87.8	Confident	87	Confident	118 Å²	118	57.5 Å²	57.5	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-43.7	173.9	-177.6	84.8	0	0	0	112.2	A463 V465 R471	A463-H467 VanDerWaalsContact O-CB 3.32Å; A463-H467 WeakPolarHBondContact O-CB 3.24Å; A463-H467 PolarHBondContact O-N 2.88Å; V465-H467 VanDerWaalsContact C-N 3.3Å; V465-H467 PolarHBondContact O-N 3.31Å; H467-R471 WeakPolarHBondContact O-CB 3.42Å; H467-R471 PolarHBondContact O-N 3.5Å
468	C	87.5	Confident	85.8	Confident	9 Å²	9	61.3 Å²	61.3	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-39.9	177.9	-67.6	0	0	0	0	112.7	V413 A464 V465 T466 E472	V413-C468 HydrophobicContact CG2-CB 4.25Å; A464-C468 PolarHBondContact O-N 2.86Å; A464-C468 PolarHBondContact O-SG 3.26Å; V465-C468 PolarHBondContact O-N 3.46Å; V465-C468 VanDerWaalsContact O-N 3.1Å; T466-C468 PolarHBondContact O-N 2.91Å; C468-E472 PolarHBondContact O-N 3.15Å; C468-E472 VanDerWaalsContact O-N 3.15Å
469	V	88.3	Confident	84.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-50.8	175.1	171.9	0	0	0	0	110.8	L390 V391 V405 I409 V413 V465 T466 R471 E472 H473	L390-V469 HydrophobicContact CB-CG1 4.02Å; L390-V469 HydrophobicContact CD2-CG1 3.97Å; V391-V469 HydrophobicContact CG2-CB 3.82Å; V391-V469 HydrophobicContact CG2-CG1 3.69Å; V391-V469 HydrophobicContact CG2-CG2 3.86Å; V405-V469 HydrophobicContact CG1-CG1 4.39Å; V405-V469 HydrophobicContact CG1-CG2 3.58Å; V405-V469 HydrophobicContact CG2-CG2 4.2Å; I409-V469 HydrophobicContact CG2-CB 4.24Å; I409-V469 HydrophobicContact CG2-CG1 3.81Å; I409-V469 HydrophobicContact CG2-CG2 4.44Å; V413-V469 HydrophobicContact CG2-CG2 3.59Å; V465-V469 HydrophobicContact CG1-CG2 4.41Å; V465-V469 WeakPolarHBondContact O-CG2 3.22Å; V465-V469 PolarHBondContact O-N 3.33Å; T466-V469 PolarHBondContact O-N 3.48Å; V469-R471 PolarHBondContact O-N 2.82Å; V469-E472 PolarHBondContact O-N 2.87Å; V469-H473 WeakPolarHBondContact O-CB 3.42Å; V469-H473 PolarHBondContact O-N 2.87Å
470	N	86.7	Confident	83.5	Confident	56 Å²	56	68.2 Å²	68.2	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-38.3	-178	-70.8	-0.5	0	0	0	111.8	T466 H473 M474	T466-N470 WeakPolarHBondContact O-CB 3.31Å; T466-N470 VanDerWaalsContact O-CG 3.3Å; T466-N470 PolarHBondContact O-N 3.33Å; N470-H473 PolarHBondContact O-N 3.22Å; N470-M474 WeakPolarHBondContact O-CG 3.23Å; N470-M474 PolarHBondContact O-N 3.45Å
471	R	84.2	Confident	81.9	Confident	134 Å²	134	68.2 Å²	68.2	51%	0.506	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-46.6	174.7	-177.2	177.7	67.7	-172.7	0.1	112.2	H467 V469 R475	H467-R471 WeakPolarHBondContact O-CB 3.42Å; H467-R471 PolarHBondContact O-N 3.5Å; V469-R471 PolarHBondContact O-N 2.82Å; R471-R475 WeakPolarHBondContact O-CB 3.48Å; R471-R475 PolarHBondContact O-N 3.43Å; R471-R475 VanDerWaalsContact O-N 3.07Å
472	E	83.6	Confident	80.3	Confident	21 Å²	21	72.8 Å²	72.8	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-72.3	-36.7	177.9	175.4	66.7	-177.4	0	0	112.3	I409 A412 C468 V469 R475 R476	I409-E472 HydrophobicContact CG2-CB 4.01Å; I409-E472 HydrophobicContact CG2-CG 3.96Å; A412-E472 HydrophobicContact CB-CB 3.4Å; A412-E472 VanDerWaalsContact CB-CB 3.4Å; A412-E472 HydrophobicContact CB-CG 3.51Å; C468-E472 PolarHBondContact O-N 3.15Å; C468-E472 VanDerWaalsContact O-N 3.15Å; V469-E472 PolarHBondContact O-N 2.87Å; E472-R475 VanDerWaalsContact CD-NH2 3.3Å; E472-R475 PolarHBondContact O-N 3.23Å; E472-R475 IonicContact OE1-CZ 2.69Å; E472-R475 IonicContact OE1-NE 3.18Å; E472-R475 IonicContact OE1-NH2 2.76Å; E472-R475 PolarHBondContact OE1-NH2 3.06Å; E472-R475 IonicContact OE2-CZ 3.98Å; E472-R475 VanDerWaalsContact OE2-CZ 3.29Å; E472-R475 IonicContact OE2-NE 2.71Å; E472-R475 PolarHBondContact OE2-NE 3Å; E472-R475 IonicContact OE2-NH2 3.76Å; E472-R475 PolarHBondContact OE2-NH2 3.36Å; E472-R476 WeakPolarHBondContact O-CG 3.46Å; E472-R476 PolarHBondContact O-N 3.02Å; E472-R476 IonicContact OE1-CZ 3.55Å; E472-R476 VanDerWaalsContact OE1-CZ 3.26Å; E472-R476 IonicContact OE1-NE 3.62Å; E472-R476 PolarHBondContact OE1-NE 3.41Å; E472-R476 IonicContact OE1-NH2 3.96Å; E472-R476 PolarHBondContact OE1-NH2 2.91Å
473	H	81.7	Confident	78.6	Confident	36 Å²	36	73.5 Å²	73.5	17%	0.167	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-45.2	175.7	-174.5	59.3	0	0	0	111.9	L390 I409 V469 N470 R476 K477	L390-H473 HydrophobicContact CD2-CB 3.7Å; L390-H473 WeakPolarHBondContact CD2-ND1 3.37Å; I409-H473 HydrophobicContact CD1-CB 4.08Å; V469-H473 WeakPolarHBondContact O-CB 3.42Å; V469-H473 PolarHBondContact O-N 2.87Å; N470-H473 PolarHBondContact O-N 3.22Å; H473-R476 PolarHBondContact O-N 3.36Å; H473-K477 WeakPolarHBondContact NE2-CE 3.48Å; H473-K477 PolarHBondContact NE2-NZ 3.3Å; H473-K477 PolarHBondContact O-N 3.19Å
474	M	77.7	Confident	77	Confident	107 Å²	107	76.3 Å²	76.3	53%	0.527	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-47	172.4	-71	-60.6	-169.5	0	0	111.2	N470 R476 K477 F478	N470-M474 WeakPolarHBondContact O-CG 3.23Å; N470-M474 PolarHBondContact O-N 3.45Å; M474-R476 PolarHBondContact O-N 3.35Å; M474-K477 PolarHBondContact O-N 3.07Å; M474-F478 VanDerWaalsContact O-CD2 3.29Å; M474-F478 WeakPolarHBondContact O-CD2 3.33Å; M474-F478 PolarHBondContact O-N 2.93Å
475	R	81.9	Confident	75	Confident	135 Å²	135	83.3 Å²	83.3	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-57.8	-33.8	177.9	-163.2	-172.1	68.7	80	4.4	112.6	R471 E472 R479	R471-R475 WeakPolarHBondContact O-CB 3.48Å; R471-R475 PolarHBondContact O-N 3.43Å; R471-R475 VanDerWaalsContact O-N 3.07Å; E472-R475 VanDerWaalsContact CD-NH2 3.3Å; E472-R475 PolarHBondContact O-N 3.23Å; E472-R475 IonicContact OE1-CZ 2.69Å; E472-R475 IonicContact OE1-NE 3.18Å; E472-R475 IonicContact OE1-NH2 2.76Å; E472-R475 PolarHBondContact OE1-NH2 3.06Å; E472-R475 IonicContact OE2-CZ 3.98Å; E472-R475 VanDerWaalsContact OE2-CZ 3.29Å; E472-R475 IonicContact OE2-NE 2.71Å; E472-R475 PolarHBondContact OE2-NE 3Å; E472-R475 IonicContact OE2-NH2 3.76Å; E472-R475 PolarHBondContact OE2-NH2 3.36Å; R475-R479 PolarHBondContact O-N 3.25Å; R475-R479 VanDerWaalsContact O-N 3.13Å
476	R	79	Confident	72.8	Confident	63 Å²	63	95 Å²	95	24%	0.238	45%	0.449	C	S	.	.	H	α-helix	trans	-73.4	-49.7	173.7	-72.4	-178	-172.1	-153.4	6.4	112.5	D408 E472 H473 M474 F478 R479 D480	D408-R476 PolarHBondContact O-NH1 3.35Å; D408-R476 PolarHBondContact O-NH2 3.47Å; E472-R476 WeakPolarHBondContact O-CG 3.46Å; E472-R476 PolarHBondContact O-N 3.02Å; E472-R476 IonicContact OE1-CZ 3.55Å; E472-R476 VanDerWaalsContact OE1-CZ 3.26Å; E472-R476 IonicContact OE1-NE 3.62Å; E472-R476 PolarHBondContact OE1-NE 3.41Å; E472-R476 IonicContact OE1-NH2 3.96Å; E472-R476 PolarHBondContact OE1-NH2 2.91Å; H473-R476 PolarHBondContact O-N 3.36Å; M474-R476 PolarHBondContact O-N 3.35Å; R476-F478 PolarHBondContact O-N 2.86Å; R476-R479 CarbonylContact O-C 3.56Å; R476-R479 PolarHBondContact O-N 3.21Å; R476-D480 WeakPolarHBondContact O-CB 3.34Å; R476-D480 PolarHBondContact O-N 3.16Å
477	K	73.3	Confident	72	Confident	82 Å²	82	97.6 Å²	97.6	36%	0.357	46%	0.459	S	S	.	.	H	α-helix	trans	-50.7	-44.1	173.6	-79.9	179.8	162.1	166.9	0	112.1	H473 M474 H481	H473-K477 WeakPolarHBondContact NE2-CE 3.48Å; H473-K477 PolarHBondContact NE2-NZ 3.3Å; H473-K477 PolarHBondContact O-N 3.19Å; M474-K477 PolarHBondContact O-N 3.07Å; K477-H481 WeakPolarHBondContact O-CB 3.26Å; K477-H481 PolarHBondContact O-CD2 3.42Å; K477-H481 PolarHBondContact O-N 3.3Å
478	F	70	Confident	71.1	Confident	146 Å²	146	96.5 Å²	96.5	64%	0.64	45%	0.454	S	S	*	.	H	α-helix	trans	-62.5	-47	173.2	-84.7	-69.5	0	0	0	113.7	M474 R476 T482	M474-F478 VanDerWaalsContact O-CD2 3.29Å; M474-F478 WeakPolarHBondContact O-CD2 3.33Å; M474-F478 PolarHBondContact O-N 2.93Å; R476-F478 PolarHBondContact O-N 2.86Å; F478-T482 WeakPolarHBondContact O-CB 3.48Å; F478-T482 PolarHBondContact O-N 3.08Å; F478-T482 PolarHBondContact O-OG1 2.97Å
479	R	70.3	Confident	70.2	Confident	138 Å²	138	101.4 Å²	101.4	52%	0.521	48%	0.476	S	S	.	.	H	α-helix	trans	-62.9	-44.6	178.3	-169.9	-166.8	67.6	163.8	1.2	111.5	R475 R476 T482 V483	R475-R479 PolarHBondContact O-N 3.25Å; R475-R479 VanDerWaalsContact O-N 3.13Å; R476-R479 CarbonylContact O-C 3.56Å; R476-R479 PolarHBondContact O-N 3.21Å; R479-T482 CarbonylContact O-C 3.57Å; R479-T482 WeakPolarHBondContact O-CA 3.41Å; R479-T482 WeakPolarHBondContact O-CB 3.34Å; R479-T482 PolarHBondContact O-N 2.89Å; R479-T482 VanDerWaalsContact O-N 3.07Å; R479-V483 HydrophobicContact CG-CG2 4.41Å; R479-V483 WeakPolarHBondContact O-CG2 3.47Å; R479-V483 PolarHBondContact O-N 2.9Å
480	D	64.3	Low	69.2	Low	65 Å²	65	107.4 Å²	107.4	35%	0.348	50%	0.504	S	S	.	.	H	α-helix	trans	-74.7	-32.2	-173.1	-53.8	-25.3	0	0	0	110.1	R476 V483 S484	R476-D480 WeakPolarHBondContact O-CB 3.34Å; R476-D480 PolarHBondContact O-N 3.16Å; D480-V483 PolarHBondContact O-N 3.23Å; D480-S484 WeakPolarHBondContact O-CB 3.36Å; D480-S484 PolarHBondContact O-N 3.3Å; D480-S484 PolarHBondContact O-OG 3.23Å; D480-S484 VanDerWaalsContact O-OG 3.11Å
481	H	57.9	Low	68.1	Low	128 Å²	128	110.6 Å²	110.6	59%	0.593	52%	0.517	S	S	*	.	H	α-helix	trans	-63.2	-37	163.9	-70.9	-16.2	0	0	0	113.4	K477 V483 Q485	K477-H481 WeakPolarHBondContact O-CB 3.26Å; K477-H481 PolarHBondContact O-CD2 3.42Å; K477-H481 PolarHBondContact O-N 3.3Å; H481-V483 VanDerWaalsContact C-N 3.34Å; H481-Q485 PolarHBondContact O-N 2.84Å
482	T	57.3	Low	67	Low	95 Å²	95	109 Å²	109	58%	0.583	52%	0.517	S	S	*	.	H	α-helix	trans	-72.5	-27.9	177.5	-53.8	0	0	0	0	112.2	F478 R479	F478-T482 WeakPolarHBondContact O-CB 3.48Å; F478-T482 PolarHBondContact O-N 3.08Å; F478-T482 PolarHBondContact O-OG1 2.97Å; R479-T482 CarbonylContact O-C 3.57Å; R479-T482 WeakPolarHBondContact O-CA 3.41Å; R479-T482 WeakPolarHBondContact O-CB 3.34Å; R479-T482 PolarHBondContact O-N 2.89Å; R479-T482 VanDerWaalsContact O-N 3.07Å
483	V	58.7	Low	65.8	Low	93 Å²	93	115.3 Å²	115.3	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-82.3	-32.5	175.6	170.9	0	0	0	0	111.6	R479 D480 H481 Q485	R479-V483 HydrophobicContact CG-CG2 4.41Å; R479-V483 WeakPolarHBondContact O-CG2 3.47Å; R479-V483 PolarHBondContact O-N 2.9Å; D480-V483 PolarHBondContact O-N 3.23Å; H481-V483 VanDerWaalsContact C-N 3.34Å; V483-Q485 VanDerWaalsContact C-N 3.26Å; V483-Q485 PolarHBondContact O-N 2.93Å
484	S	54.4	Low	64.6	Low	103 Å²	103	121.4 Å²	121.4	72%	0.72	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	2.3	175	-61	0	0	0	0	114.7	D480	D480-S484 WeakPolarHBondContact O-CB 3.36Å; D480-S484 PolarHBondContact O-N 3.3Å; D480-S484 PolarHBondContact O-OG 3.23Å; D480-S484 VanDerWaalsContact O-OG 3.11Å
485	Q	49.6	Very low	63.5	Low	178 Å²	178	122.6 Å²	122.6	83%	0.832	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	25.4	173.4	-69.6	-168.7	-14.3	0	0	112.1	H481 V483	H481-Q485 PolarHBondContact O-N 2.84Å; V483-Q485 VanDerWaalsContact C-N 3.26Å; V483-Q485 PolarHBondContact O-N 2.93Å
486	K	45.4	Very low	61.8	Low	245 Å²	245	121.5 Å²	121.5	100%	1.065	59%	0.587	S	S	*	*			trans	-147.8	0	-175.7	-149	-169.7	-178.2	-168.8	0	112.7

Retrieved 486 of 486 residues in 705.4 ms (Link to these results)

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