X6REK4_HUMAN Loading...

tRNA (guanine(9)-N(1))-methyltransferase

AlphaFold DB , UniProt , Accession X6REK4, Species HUMAN (Homo sapiens, Human), Gene TRMT10A, Length 205 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	40.9	Very low	37.5	Very low	228 Å²	228	149.9 Å²	149.9	100%	1.123	82%	0.815	S	S	*	*				0	69.5	0	-51.7	-62.7	173.9	0	0	105.5
2	S	35.7	Very low	37.2	Very low	116 Å²	116	148.1 Å²	148.1	81%	0.811	81%	0.812	S	S	*	*				55	129.5	76.4	-31	0	0	0	0	109.2
3	S	34.1	Very low	36.7	Very low	101 Å²	101	144.5 Å²	144.5	71%	0.706	81%	0.805	S	S	*	*			cis	-175.6	128.5	13.6	-165	0	0	0	0	102.6
4	E	39.1	Very low	36.3	Very low	160 Å²	160	144.4 Å²	144.4	75%	0.748	80%	0.802	S	S	*	*				68.7	138.5	99.8	-136.6	176.8	-134.4	0	0	116.7
5	M	39.4	Very low	36.1	Very low	167 Å²	167	141.7 Å²	141.7	82%	0.823	79%	0.79	S	S	*	*			trans	99.1	114.3	154.4	-59.7	-153	-175.6	0	0	122.2
6	L	35.4	Very low	35.8	Very low	162 Å²	162	140.9 Å²	140.9	85%	0.848	78%	0.784	S	S	*	*			trans	-72.9	-171.3	141.2	-66.3	164.9	0	0	0	109.5
7	P	54.4	Low	35.6	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	79%	0.792	S	S	*	*			cis	-134	-175	-19.4	25.6	-0.8	0	0	0	113.1
8	A	34.3	Very low	35.5	Very low	90 Å²	90	147.3 Å²	147.3	74%	0.744	79%	0.793	S	S	*	*			trans	164	113.9	139.5	0	0	0	0	0	109.7
9	F	30.4	Very low	35.3	Very low	185 Å²	185	150.1 Å²	150.1	81%	0.811	80%	0.8	S	S	*	*				46.1	103.6	84.1	-99.1	-84	0	0	0	115.3	E11	F9-E11 HydrophobicContact CD1-CG 4.47Å; F9-E11 HydrophobicContact CE1-CG 4.4Å
10	I	36.1	Very low	35	Very low	158 Å²	158	146.3 Å²	146.3	81%	0.81	80%	0.798	S	S	*	*			trans	-134.6	106.4	147	-63	-179.7	0	0	0	107
11	E	32.4	Very low	34.8	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	80%	0.796	S	S	*	*			trans	-77.2	136.6	153.3	-77	177.6	140.4	0	0	108.6	F9	F9-E11 HydrophobicContact CD1-CG 4.47Å; F9-E11 HydrophobicContact CE1-CG 4.4Å
12	T	34.1	Very low	34.3	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	79%	0.785	S	S	*	*			trans	-138.6	112.7	142.2	45.3	0	0	0	0	110.2
13	S	31.2	Very low	34.2	Very low	102 Å²	102	145.8 Å²	145.8	71%	0.713	78%	0.783	S	S	*	*			trans	-45	163.9	150.4	62.6	0	0	0	0	112.3
14	N	31.1	Very low	34.2	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	79%	0.791	S	S	*	*			cis	-176.7	164.5	18.9	-138.5	-6.2	0	0	0	109.3
15	V	33	Very low	34.1	Very low	103 Å²	103	150 Å²	150	62%	0.624	80%	0.797	S	S	*	*			trans	84.9	103.5	137	170.5	0	0	0	0	120.9
16	D	31.5	Very low	33.8	Very low	130 Å²	130	151.6 Å²	151.6	70%	0.695	80%	0.802	S	S	*	*				65.3	120.6	123.2	-63.7	-53	0	0	0	122.7
17	K	32.1	Very low	33.9	Very low	212 Å²	212	152.7 Å²	152.7	92%	0.922	80%	0.803	S	S	*	*				-148.4	109.2	121.6	-137.7	171.4	-175.6	176.2	0	111.8
18	K	33.6	Very low	32.8	Very low	184 Å²	184	152 Å²	152	80%	0.8	80%	0.801	S	S	*	*			trans	-75.9	147.8	163.9	-83.4	178.9	174.7	175.2	0	110.9
19	Q	31.3	Very low	32.8	Very low	201 Å²	201	156.1 Å²	156.1	94%	0.939	81%	0.805	S	S	*	*			trans	148.6	132.2	141.4	-83.4	171.8	4.5	0	0	107.7
20	G	28.9	Very low	33.1	Very low	74 Å²	74	156.6 Å²	156.6	76%	0.763	81%	0.807	S	S	*	*			cis	-164.5	174.8	12.1	0	0	0	0	0	111.4
21	I	31.5	Very low	33.1	Very low	148 Å²	148	154.9 Å²	154.9	76%	0.759	81%	0.806	S	S	*	*			trans	-67.1	141.1	-174.9	-66.3	152	0	0	0	111.3	E23	I21-E23 HydrophobicContact CG2-CG 4.37Å
22	N	30.7	Very low	33.6	Very low	163 Å²	163	159 Å²	159	87%	0.872	82%	0.815	S	S	*	*			trans	-145.8	119.4	138.9	-107.6	-13.2	0	0	0	109.2
23	E	34.2	Very low	34	Very low	168 Å²	168	161.2 Å²	161.2	79%	0.785	82%	0.821	S	S	*	*			trans	-71.6	131.4	168.3	-65	174.1	144	0	0	108.4	I21	I21-E23 HydrophobicContact CG2-CG 4.37Å
24	D	34.4	Very low	34.3	Very low	163 Å²	163	159.5 Å²	159.5	87%	0.872	82%	0.819	S	S	*	*			trans	-139.8	114	151.2	-92.2	-37.2	0	0	0	108.2
25	Q	35.9	Very low	34.8	Very low	187 Å²	187	162.3 Å²	162.3	87%	0.874	83%	0.828	S	S	*	*			trans	-74.9	120.2	168.8	-69.5	176.1	-15.1	0	0	108.1
26	E	34.2	Very low	35.3	Very low	200 Å²	200	161.5 Å²	161.5	94%	0.935	84%	0.84	S	S	*	*			trans	-123.3	98.3	156	-94.8	-170.4	158.2	0	0	109.8
27	E	37	Very low	35.8	Very low	186 Å²	186	160.8 Å²	160.8	87%	0.869	84%	0.844	S	S	*	*			trans	-83.7	113.3	167.2	-178.1	-179.6	-152.1	0	0	108.9
28	S	31.4	Very low	37	Very low	105 Å²	105	159.1 Å²	159.1	73%	0.734	84%	0.839	S	S	*	*			trans	161	135.2	159.1	-87.6	0	0	0	0	109.5
29	Q	34.3	Very low	38.5	Very low	176 Å²	176	156.3 Å²	156.3	82%	0.822	84%	0.84	S	S	*	*			cis	-160.2	136.2	13.6	-96.7	156.6	21.3	0	0	107.2
30	K	36.6	Very low	40	Very low	196 Å²	196	150.9 Å²	150.9	85%	0.852	82%	0.817	S	S	*	*			trans	-72.1	133	163.7	-77.7	176.1	177.9	172.2	0	109	R32	K30-R32 PolarHBondContact O-N 3.41Å; K30-R32 VanDerWaalsContact O-N 3.16Å
31	P	36.5	Very low	42.7	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	80%	0.801	S	S	*	*			trans	-65.2	118.9	172.2	-13	26.5	0	0	0	109.3	L33	P31-L33 PolarHBondContact O-N 3.33Å
32	R	42.5	Very low	45.1	Very low	249 Å²	249	152.1 Å²	152.1	94%	0.94	80%	0.804	S	S	*	*			trans	-68.8	108.6	170.5	-67.7	-173.1	-179	-156.8	1.7	108.4	K30 G34	K30-R32 PolarHBondContact O-N 3.41Å; K30-R32 VanDerWaalsContact O-N 3.16Å; R32-G34 PolarHBondContact O-N 3.4Å
33	L	41.5	Very low	47.5	Very low	175 Å²	175	154.6 Å²	154.6	92%	0.916	80%	0.801	S	S	*	*			trans	-84.1	105.2	167.2	-78.6	164.2	0	0	0	108.5	P31	P31-L33 PolarHBondContact O-N 3.33Å
34	G	38.1	Very low	49.9	Very low	66 Å²	66	152.2 Å²	152.2	68%	0.68	79%	0.79	S	S	*	*			trans	-76.9	136.1	171	0	0	0	0	0	112.1	R32	R32-G34 PolarHBondContact O-N 3.4Å
35	E	40.7	Very low	52.2	Low	201 Å²	201	149.7 Å²	149.7	94%	0.939	77%	0.774	S	S	*	*	S	Bend	trans	59.9	110.4	145	-64	178.9	165.8	0	0	120
36	G	44.5	Very low	54.6	Low	86 Å²	86	148.2 Å²	148.2	89%	0.887	77%	0.765	S	S	*	*			trans	108.8	16.5	135	0	0	0	0	0	118.9
37	C	42	Very low	57.1	Low	115 Å²	115	146.2 Å²	146.2	78%	0.777	75%	0.753	S	S	*	*			trans	-113.2	98.1	170.1	-148.4	0	0	0	0	108.9
38	E	57.7	Low	59.4	Low	177 Å²	177	141.4 Å²	141.4	83%	0.827	73%	0.733	S	S	*	*			trans	-52	128.1	167.4	-75	-149.9	160.7	0	0	108.4	I40	E38-I40 PolarHBondContact O-N 3.36Å
39	P	65.6	Low	62	Low	125 Å²	125	140.2 Å²	140.2	81%	0.812	72%	0.717	S	S	*	*			trans	-62.8	108.2	-177.6	23	-30.6	0	0	0	108.4	S41	P39-S41 PolarHBondContact O-N 3.09Å
40	I	62.8	Low	64.5	Low	88 Å²	88	139 Å²	139	45%	0.451	71%	0.709	S	S	.	*			trans	-43.8	118.2	176.2	-70.3	177.4	0	0	0	108.2	E38 K42 Q44 M45	E38-I40 PolarHBondContact O-N 3.36Å; I40-K42 PolarHBondContact O-N 3.33Å; I40-Q44 HydrophobicContact CG2-CB 3.37Å; I40-M45 HydrophobicContact CG2-CB 3.95Å
41	S	83.8	Confident	66.8	Low	63 Å²	63	133.9 Å²	133.9	44%	0.441	69%	0.688	S	S	.	*			trans	-53	144.8	-177.8	172.2	0	0	0	0	110	P39 R43 Q44 M45	P39-S41 PolarHBondContact O-N 3.09Å; S41-R43 CarbonylContact O-C 3.57Å; S41-R43 PolarHBondContact O-N 3.39Å; S41-Q44 WeakPolarHBondContact O-CA 3.5Å; S41-Q44 WeakPolarHBondContact O-CB 3.35Å; S41-Q44 PolarHBondContact O-N 2.8Å; S41-M45 PolarHBondContact O-N 3.12Å
42	K	83.6	Confident	69.1	Low	185 Å²	185	134 Å²	134	80%	0.804	68%	0.676	S	S	*	*	H	α-helix	trans	-46.6	-30.6	177.2	-67.3	-178.5	179.9	176.6	0	112.6	I40 K46	I40-K42 PolarHBondContact O-N 3.33Å; K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 WeakPolarHBondContact O-CG 3.31Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-K46 VanDerWaalsContact O-N 3.16Å
43	R	81.2	Confident	71.2	Confident	214 Å²	214	126.9 Å²	126.9	81%	0.808	65%	0.654	S	S	*	*	H	α-helix	trans	-72.1	-45.8	174.1	-70.9	-175.7	178.8	-166.9	0.5	113.6	S41 M45 K46 K47	S41-R43 CarbonylContact O-C 3.57Å; S41-R43 PolarHBondContact O-N 3.39Å; R43-M45 VanDerWaalsContact C-N 3.32Å; R43-K46 PolarHBondContact O-N 3.31Å; R43-K47 PolarHBondContact O-N 2.8Å
44	Q	82.6	Confident	73.2	Confident	119 Å²	119	126.1 Å²	126.1	56%	0.556	64%	0.639	S	S	*	*	H	α-helix	trans	-64.4	-39.3	176.7	-71.1	170.9	-28.4	0	0	110.7	I40 S41 K47 L48	I40-Q44 HydrophobicContact CG2-CB 3.37Å; S41-Q44 WeakPolarHBondContact O-CA 3.5Å; S41-Q44 WeakPolarHBondContact O-CB 3.35Å; S41-Q44 PolarHBondContact O-N 2.8Å; Q44-K47 WeakPolarHBondContact O-CB 3.48Å; Q44-K47 PolarHBondContact O-N 2.9Å; Q44-L48 PolarHBondContact O-N 3.06Å
45	M	83	Confident	75.4	Confident	109 Å²	109	127 Å²	127	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-65.1	-44.5	177	-169.9	147.3	176.4	0	0	111.9	I40 S41 R43 K47 L48 I49	I40-M45 HydrophobicContact CG2-CB 3.95Å; S41-M45 PolarHBondContact O-N 3.12Å; R43-M45 VanDerWaalsContact C-N 3.32Å; M45-K47 VanDerWaalsContact C-N 3.3Å; M45-K47 PolarHBondContact O-N 2.87Å; M45-L48 PolarHBondContact O-N 3.2Å; M45-I49 HydrophobicContact CG-CD1 4.15Å; M45-I49 WeakPolarHBondContact O-CG1 3.48Å; M45-I49 PolarHBondContact O-N 2.86Å
46	K	86.1	Confident	77.6	Confident	157 Å²	157	124.2 Å²	124.2	68%	0.683	61%	0.612	S	S	*	*	H	α-helix	trans	-59.2	-39.2	172	-78.1	-179	179.8	-174	0	112.5	K42 R43 K50	K42-K46 WeakPolarHBondContact O-CB 3.38Å; K42-K46 WeakPolarHBondContact O-CG 3.31Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-K46 VanDerWaalsContact O-N 3.16Å; R43-K46 PolarHBondContact O-N 3.31Å; K46-K50 WeakPolarHBondContact O-CB 3.26Å; K46-K50 PolarHBondContact O-N 3.38Å
47	K	87.7	Confident	79.6	Confident	158 Å²	158	124.7 Å²	124.7	69%	0.687	59%	0.591	S	S	*	*	H	α-helix	trans	-64.5	-42.4	176.5	-170.8	-179.1	178	-173.8	0	111.4	R43 Q44 M45 K50 Q51	R43-K47 PolarHBondContact O-N 2.8Å; Q44-K47 WeakPolarHBondContact O-CB 3.48Å; Q44-K47 PolarHBondContact O-N 2.9Å; M45-K47 VanDerWaalsContact C-N 3.3Å; M45-K47 PolarHBondContact O-N 2.87Å; K47-K50 PolarHBondContact O-N 3.33Å; K47-Q51 WeakPolarHBondContact O-CB 3.42Å; K47-Q51 PolarHBondContact O-N 3.2Å
48	L	85.1	Confident	81.6	Confident	85 Å²	85	124 Å²	124	45%	0.445	57%	0.572	S	S	.	*	H	α-helix	trans	-65.1	-45.4	178.3	-159.2	78.7	0	0	0	111.6	Q44 M45 K50 Q51 K52	Q44-L48 PolarHBondContact O-N 3.06Å; M45-L48 PolarHBondContact O-N 3.2Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.32Å; L48-Q51 PolarHBondContact O-N 2.8Å; L48-K52 PolarHBondContact O-N 2.84Å
49	I	86.4	Confident	82.9	Confident	80 Å²	80	120.1 Å²	120.1	41%	0.41	55%	0.554	S	S	.	*	H	α-helix	trans	-59.7	-46.8	175.7	-67.7	165.7	0	0	0	110.3	M45 Q51 K52 Q53	M45-I49 HydrophobicContact CG-CD1 4.15Å; M45-I49 WeakPolarHBondContact O-CG1 3.48Å; M45-I49 PolarHBondContact O-N 2.86Å; I49-Q51 VanDerWaalsContact C-N 3.28Å; I49-Q51 PolarHBondContact O-N 2.89Å; I49-K52 PolarHBondContact O-N 2.8Å; I49-Q53 HydrophobicContact CG2-CG 4.39Å; I49-Q53 WeakPolarHBondContact O-CB 3.35Å; I49-Q53 WeakPolarHBondContact O-CG 3.49Å; I49-Q53 PolarHBondContact O-N 2.79Å
50	K	87.3	Confident	84	Confident	150 Å²	150	118.2 Å²	118.2	65%	0.652	54%	0.537	S	S	*	.	H	α-helix	trans	-62.3	-36.5	177.8	-169.5	173.6	-176.6	173.9	0	112	K46 K47 L48 W54	K46-K50 WeakPolarHBondContact O-CB 3.26Å; K46-K50 PolarHBondContact O-N 3.38Å; K47-K50 PolarHBondContact O-N 3.33Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.32Å; K50-W54 VanDerWaalsContact O-CB 3.29Å; K50-W54 WeakPolarHBondContact O-CB 3.44Å; K50-W54 PolarHBondContact O-N 3.02Å
51	Q	84.8	Confident	85.1	Confident	88 Å²	88	116.7 Å²	116.7	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-46.7	175.6	-176.3	173.9	-12.6	0	0	111.7	K47 L48 I49 W54 E55	K47-Q51 WeakPolarHBondContact O-CB 3.42Å; K47-Q51 PolarHBondContact O-N 3.2Å; L48-Q51 PolarHBondContact O-N 2.8Å; I49-Q51 VanDerWaalsContact C-N 3.28Å; I49-Q51 PolarHBondContact O-N 2.89Å; Q51-W54 WeakPolarHBondContact O-CB 3.48Å; Q51-W54 PolarHBondContact O-N 3.22Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.49Å; Q51-E55 PolarHBondContact NE2-OE1 2.81Å; Q51-E55 VanDerWaalsContact NE2-OE1 3.1Å; Q51-E55 WeakPolarHBondContact O-CG 3.28Å; Q51-E55 PolarHBondContact O-N 2.84Å
52	K	84.8	Confident	85.2	Confident	124 Å²	124	118.4 Å²	118.4	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-58.3	-50.2	175.5	-74.8	-172.7	176.2	-172.8	0	111.8	L48 I49 W54 E55 E56	L48-K52 PolarHBondContact O-N 2.84Å; I49-K52 PolarHBondContact O-N 2.8Å; K52-W54 VanDerWaalsContact C-N 3.26Å; K52-W54 PolarHBondContact O-N 3.07Å; K52-E55 WeakPolarHBondContact O-CA 3.33Å; K52-E55 WeakPolarHBondContact O-CB 3.45Å; K52-E55 PolarHBondContact O-N 2.67Å; K52-E56 WeakPolarHBondContact O-CG 3.32Å; K52-E56 PolarHBondContact O-N 3.14Å
53	Q	85.4	Confident	85.3	Confident	100 Å²	100	115.3 Å²	115.3	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-57.6	-39.2	175.9	-72.1	176	-8.9	0	0	112.2	I49 Q57	I49-Q53 HydrophobicContact CG2-CG 4.39Å; I49-Q53 WeakPolarHBondContact O-CB 3.35Å; I49-Q53 WeakPolarHBondContact O-CG 3.49Å; I49-Q53 PolarHBondContact O-N 2.79Å; Q53-Q57 VanDerWaalsContact O-CB 3.31Å; Q53-Q57 WeakPolarHBondContact O-CB 3.27Å; Q53-Q57 WeakPolarHBondContact O-CG 3.37Å; Q53-Q57 PolarHBondContact O-N 2.86Å
54	W	85	Confident	85.8	Confident	159 Å²	159	111.5 Å²	111.5	60%	0.602	50%	0.502	S	S	*	.	H	α-helix	trans	-67.5	-38.2	176.5	-169.7	-95.3	0	0	0	112.2	K50 Q51 K52 R58 R61	K50-W54 VanDerWaalsContact O-CB 3.29Å; K50-W54 WeakPolarHBondContact O-CB 3.44Å; K50-W54 PolarHBondContact O-N 3.02Å; Q51-W54 WeakPolarHBondContact O-CB 3.48Å; Q51-W54 PolarHBondContact O-N 3.22Å; K52-W54 VanDerWaalsContact C-N 3.26Å; K52-W54 PolarHBondContact O-N 3.07Å; W54-R58 PolarHBondContact O-N 2.73Å; W54-R61 VanDerWaalsContact CE2-NH2 3.34Å; W54-R61 VanDerWaalsContact CE3-NH1 3.35Å; W54-R61 VanDerWaalsContact CG-NH2 3.33Å; W54-R61 VanDerWaalsContact CZ3-NH1 3.3Å; W54-R61 VanDerWaalsContact NE1-NH2 3.16Å; W54-R61 PolarHBondContact O-NH2 3.43Å
55	E	83.6	Confident	85.9	Confident	83 Å²	83	113.9 Å²	113.9	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-67.3	-45.7	175.8	-75.9	170.1	-171.9	0	0	111.6	Q51 K52 Q57 R58	Q51-E55 WeakPolarHBondContact CG-OE1 3.49Å; Q51-E55 PolarHBondContact NE2-OE1 2.81Å; Q51-E55 VanDerWaalsContact NE2-OE1 3.1Å; Q51-E55 WeakPolarHBondContact O-CG 3.28Å; Q51-E55 PolarHBondContact O-N 2.84Å; K52-E55 WeakPolarHBondContact O-CA 3.33Å; K52-E55 WeakPolarHBondContact O-CB 3.45Å; K52-E55 PolarHBondContact O-N 2.67Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 3.14Å; E55-R58 WeakPolarHBondContact O-CB 3.48Å; E55-R58 PolarHBondContact O-N 3.24Å
56	E	85.6	Confident	86.2	Confident	143 Å²	143	114.6 Å²	114.6	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-59.4	-44.2	174.4	-71.3	166.1	-174.7	0	0	111.5	K52 R58	K52-E56 WeakPolarHBondContact O-CG 3.32Å; K52-E56 PolarHBondContact O-N 3.14Å; E56-R58 PolarHBondContact O-N 3.16Å; E56-R58 VanDerWaalsContact O-N 3.17Å
57	Q	86.8	Confident	86.3	Confident	96 Å²	96	113.3 Å²	113.3	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-72.9	-3	176.5	-69.3	-179	12	0	0	113.6	Q53 E55 R61	Q53-Q57 VanDerWaalsContact O-CB 3.31Å; Q53-Q57 WeakPolarHBondContact O-CB 3.27Å; Q53-Q57 WeakPolarHBondContact O-CG 3.37Å; Q53-Q57 PolarHBondContact O-N 2.86Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 3.14Å; Q57-R61 WeakPolarHBondContact O-CB 3.19Å; Q57-R61 WeakPolarHBondContact O-CG 3.21Å; Q57-R61 PolarHBondContact O-N 3.15Å; Q57-R61 PolarHBondContact O-NE 2.9Å
58	R	84.6	Confident	86.4	Confident	101 Å²	101	111.5 Å²	111.5	38%	0.381	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-48.4	-179.4	-172.8	-171	-69.8	-159.3	4.7	111.2	W54 E55 E56 R61 K62 N157	W54-R58 PolarHBondContact O-N 2.73Å; E55-R58 WeakPolarHBondContact O-CB 3.48Å; E55-R58 PolarHBondContact O-N 3.24Å; E56-R58 PolarHBondContact O-N 3.16Å; E56-R58 VanDerWaalsContact O-N 3.17Å; R58-R61 PolarHBondContact O-N 2.97Å; R58-K62 WeakPolarHBondContact O-CB 3.48Å; R58-K62 PolarHBondContact O-N 3.08Å; R58-N157 PolarHBondContact NH1-OD1 3.04Å
59	E	85.6	Confident	86.3	Confident	95 Å²	95	116.6 Å²	116.6	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-69.9	-40.9	-178.3	-74.2	-58.1	127.6	0	0	111.9	R61 K62 Q63	E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 PolarHBondContact O-N 2.8Å; E59-K62 WeakPolarHBondContact O-CB 3.49Å; E59-K62 PolarHBondContact O-N 3.33Å; E59-K62 VanDerWaalsContact O-N 3.08Å; E59-K62 WeakPolarHBondContact OE1-CD 3.45Å; E59-K62 IonicContact OE1-NZ 2.98Å; E59-K62 PolarHBondContact OE1-NZ 3.24Å; E59-K62 WeakPolarHBondContact OE2-CD 3.5Å; E59-K62 IonicContact OE2-NZ 3.23Å; E59-K62 PolarHBondContact OE2-NZ 2.59Å; E59-Q63 WeakPolarHBondContact O-CG 3.49Å; E59-Q63 PolarHBondContact O-N 3.42Å
60	L	87.7	Confident	86.4	Confident	85 Å²	85	120.5 Å²	120.5	45%	0.445	52%	0.522	S	S	.	.	H	α-helix	trans	-59	-42.3	173.9	-176.5	63.9	0	0	0	111.7	K62 Q63 K64	L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 2.87Å; L60-Q63 PolarHBondContact O-N 2.9Å; L60-K64 PolarHBondContact O-N 2.94Å
61	R	85.6	Confident	86.4	Confident	57 Å²	57	120.1 Å²	120.1	22%	0.215	52%	0.517	C	S	.	.	H	α-helix	trans	-66.4	-35.3	176.2	-72.2	178.9	-63.3	175	-0.8	112.3	W54 Q57 R58 E59 R65	W54-R61 VanDerWaalsContact CE2-NH2 3.34Å; W54-R61 VanDerWaalsContact CE3-NH1 3.35Å; W54-R61 VanDerWaalsContact CG-NH2 3.33Å; W54-R61 VanDerWaalsContact CZ3-NH1 3.3Å; W54-R61 VanDerWaalsContact NE1-NH2 3.16Å; W54-R61 PolarHBondContact O-NH2 3.43Å; Q57-R61 WeakPolarHBondContact O-CB 3.19Å; Q57-R61 WeakPolarHBondContact O-CG 3.21Å; Q57-R61 PolarHBondContact O-N 3.15Å; Q57-R61 PolarHBondContact O-NE 2.9Å; R58-R61 PolarHBondContact O-N 2.97Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 PolarHBondContact O-N 2.8Å; R61-R65 WeakPolarHBondContact O-CB 3.37Å; R61-R65 WeakPolarHBondContact O-CD 3.49Å; R61-R65 WeakPolarHBondContact O-CG 3.45Å; R61-R65 PolarHBondContact O-N 3.4Å
62	K	85.7	Confident	86.3	Confident	99 Å²	99	120.9 Å²	120.9	43%	0.43	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-42.4	174.6	-171.6	-177	176.3	-169.5	0	111.1	R58 E59 L60 R65 K66	R58-K62 WeakPolarHBondContact O-CB 3.48Å; R58-K62 PolarHBondContact O-N 3.08Å; E59-K62 WeakPolarHBondContact O-CB 3.49Å; E59-K62 PolarHBondContact O-N 3.33Å; E59-K62 VanDerWaalsContact O-N 3.08Å; E59-K62 WeakPolarHBondContact OE1-CD 3.45Å; E59-K62 IonicContact OE1-NZ 2.98Å; E59-K62 PolarHBondContact OE1-NZ 3.24Å; E59-K62 WeakPolarHBondContact OE2-CD 3.5Å; E59-K62 IonicContact OE2-NZ 3.23Å; E59-K62 PolarHBondContact OE2-NZ 2.59Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 2.87Å; K62-R65 PolarHBondContact O-N 2.84Å; K62-K66 WeakPolarHBondContact O-CG 3.35Å; K62-K66 PolarHBondContact O-N 3.22Å
63	Q	87.7	Confident	86.2	Confident	120 Å²	120	122.2 Å²	122.2	56%	0.561	53%	0.525	S	S	*	.	H	α-helix	trans	-63.6	-51.1	174.6	-70.9	178.3	-5.2	0	0	112	E59 L60 R65 K66 E67	E59-Q63 WeakPolarHBondContact O-CG 3.49Å; E59-Q63 PolarHBondContact O-N 3.42Å; L60-Q63 PolarHBondContact O-N 2.9Å; Q63-R65 VanDerWaalsContact C-N 3.25Å; Q63-R65 PolarHBondContact O-N 3.04Å; Q63-K66 WeakPolarHBondContact O-CA 3.31Å; Q63-K66 WeakPolarHBondContact O-CB 3.42Å; Q63-K66 PolarHBondContact O-N 3.02Å; Q63-E67 PolarHBondContact O-N 3.02Å
64	K	90.3	Very high	86.1	Confident	133 Å²	133	122.6 Å²	122.6	58%	0.578	53%	0.529	S	S	*	.	H	α-helix	trans	-56.1	-39	175.6	-75.3	-175.2	177.1	-176.7	0	112.4	L60 K68	L60-K64 PolarHBondContact O-N 2.94Å; K64-K68 WeakPolarHBondContact O-CB 3.37Å; K64-K68 PolarHBondContact O-N 2.98Å
65	R	85.8	Confident	85.9	Confident	169 Å²	169	119.2 Å²	119.2	64%	0.638	52%	0.52	S	S	*	.	H	α-helix	trans	-65.9	-39.8	174.3	-75.4	170.6	-177.6	-172.7	0.7	112.3	R61 K62 Q63 R69	R61-R65 WeakPolarHBondContact O-CB 3.37Å; R61-R65 WeakPolarHBondContact O-CD 3.49Å; R61-R65 WeakPolarHBondContact O-CG 3.45Å; R61-R65 PolarHBondContact O-N 3.4Å; K62-R65 PolarHBondContact O-N 2.84Å; Q63-R65 VanDerWaalsContact C-N 3.25Å; Q63-R65 PolarHBondContact O-N 3.04Å; R65-R69 WeakPolarHBondContact O-CB 3.44Å; R65-R69 VanDerWaalsContact O-CG 3.27Å; R65-R69 WeakPolarHBondContact O-CG 3.4Å; R65-R69 PolarHBondContact O-N 2.89Å; R65-R69 VanDerWaalsContact O-N 3.07Å
66	K	88.5	Confident	85.6	Confident	124 Å²	124	121.9 Å²	121.9	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-45.9	175.4	-76.1	178.8	177.1	-176	0	111.3	K62 Q63 R69 K70	K62-K66 WeakPolarHBondContact O-CG 3.35Å; K62-K66 PolarHBondContact O-N 3.22Å; Q63-K66 WeakPolarHBondContact O-CA 3.31Å; Q63-K66 WeakPolarHBondContact O-CB 3.42Å; Q63-K66 PolarHBondContact O-N 3.02Å; K66-R69 WeakPolarHBondContact O-CB 3.44Å; K66-R69 PolarHBondContact O-N 3.35Å; K66-K70 PolarHBondContact O-N 3.4Å
67	E	89.2	Confident	85.1	Confident	131 Å²	131	121.5 Å²	121.5	61%	0.612	53%	0.525	S	S	*	.	H	α-helix	trans	-63.2	-47.7	178.5	-168.3	-169.9	161.8	0	0	111.7	Q63 R69 K70 R71	Q63-E67 PolarHBondContact O-N 3.02Å; E67-R69 PolarHBondContact O-N 3.07Å; E67-K70 WeakPolarHBondContact O-CB 3.47Å; E67-K70 PolarHBondContact O-N 2.93Å; E67-R71 PolarHBondContact O-N 3.23Å
68	K	88.9	Confident	84.4	Confident	119 Å²	119	122 Å²	122	52%	0.517	54%	0.537	S	S	.	.	H	α-helix	trans	-59	-35.2	174.9	-169.9	172.8	-175.8	172.8	0	112.4	K64 K72	K64-K68 WeakPolarHBondContact O-CB 3.37Å; K64-K68 PolarHBondContact O-N 2.98Å; K68-K72 WeakPolarHBondContact O-CG 3.46Å; K68-K72 PolarHBondContact O-N 2.94Å; K68-K72 VanDerWaalsContact O-N 3.1Å
69	R	84	Confident	83.5	Confident	193 Å²	193	124.9 Å²	124.9	73%	0.728	56%	0.556	S	S	*	*	H	α-helix	trans	-68.3	-42.1	173.4	-77.2	175.1	-178.9	-175.6	0.2	112	R65 K66 E67 K73	R65-R69 WeakPolarHBondContact O-CB 3.44Å; R65-R69 VanDerWaalsContact O-CG 3.27Å; R65-R69 WeakPolarHBondContact O-CG 3.4Å; R65-R69 PolarHBondContact O-N 2.89Å; R65-R69 VanDerWaalsContact O-N 3.07Å; K66-R69 WeakPolarHBondContact O-CB 3.44Å; K66-R69 PolarHBondContact O-N 3.35Å; E67-R69 PolarHBondContact O-N 3.07Å; R69-K73 WeakPolarHBondContact O-CB 3.26Å; R69-K73 PolarHBondContact O-N 2.85Å
70	K	87.4	Confident	81.9	Confident	161 Å²	161	125.6 Å²	125.6	70%	0.7	56%	0.56	S	S	*	*	H	α-helix	trans	-61.7	-47.1	174.9	-74.6	-175.3	176.9	-173.3	0	111	K66 E67 K72 K73 L74	K66-K70 PolarHBondContact O-N 3.4Å; E67-K70 WeakPolarHBondContact O-CB 3.47Å; E67-K70 PolarHBondContact O-N 2.93Å; K70-K72 PolarHBondContact O-N 3.29Å; K70-K73 WeakPolarHBondContact O-CB 3.31Å; K70-K73 PolarHBondContact O-N 3.46Å; K70-L74 PolarHBondContact O-N 3.43Å
71	R	86.8	Confident	80.3	Confident	142 Å²	142	129 Å²	129	54%	0.536	57%	0.574	S	S	.	*	H	α-helix	trans	-57.9	-50.4	177.9	-166	179.2	71.6	-159.8	6.1	112	E67 K73 L74 E75	E67-R71 PolarHBondContact O-N 3.23Å; R71-K73 PolarHBondContact O-N 3.13Å; R71-L74 PolarHBondContact O-N 2.66Å; R71-L74 VanDerWaalsContact O-N 3.13Å; R71-E75 WeakPolarHBondContact CG-OE1 3.49Å; R71-E75 IonicContact NE-OE1 3.88Å; R71-E75 PolarHBondContact NE-OE1 3.41Å; R71-E75 WeakPolarHBondContact O-CG 3.23Å; R71-E75 PolarHBondContact O-N 2.93Å
72	K	83.8	Confident	78.9	Confident	104 Å²	104	132.1 Å²	132.1	45%	0.452	60%	0.601	S	S	.	*	H	α-helix	trans	-61.6	-29.6	175.1	-76.3	-169.9	173.4	-161.3	0	113.8	K68 K70 R76	K68-K72 WeakPolarHBondContact O-CG 3.46Å; K68-K72 PolarHBondContact O-N 2.94Å; K68-K72 VanDerWaalsContact O-N 3.1Å; K70-K72 PolarHBondContact O-N 3.29Å; K72-R76 WeakPolarHBondContact O-CD 3.47Å; K72-R76 VanDerWaalsContact O-CG 3.22Å; K72-R76 WeakPolarHBondContact O-CG 3.25Å; K72-R76 PolarHBondContact O-N 3.4Å
73	K	82.8	Confident	77.1	Confident	153 Å²	153	135 Å²	135	67%	0.665	62%	0.621	S	S	*	*	H	α-helix	trans	-70.3	-43.6	175.2	-172.2	-177.8	178	-172.9	0	110.4	R69 K70 R71 R76 Q77	R69-K73 WeakPolarHBondContact O-CB 3.26Å; R69-K73 PolarHBondContact O-N 2.85Å; K70-K73 WeakPolarHBondContact O-CB 3.31Å; K70-K73 PolarHBondContact O-N 3.46Å; R71-K73 PolarHBondContact O-N 3.13Å; K73-R76 PolarHBondContact O-N 3.02Å; K73-Q77 WeakPolarHBondContact O-CB 3.44Å; K73-Q77 PolarHBondContact O-N 2.88Å
74	L	82.1	Confident	75.3	Confident	108 Å²	108	132.9 Å²	132.9	57%	0.565	62%	0.62	S	S	*	*	H	α-helix	trans	-66.2	-45.6	177.9	-166.1	70.7	0	0	0	111.5	K70 R71 R76 Q77 C78	K70-L74 PolarHBondContact O-N 3.43Å; R71-L74 PolarHBondContact O-N 2.66Å; R71-L74 VanDerWaalsContact O-N 3.13Å; L74-R76 VanDerWaalsContact C-N 3.28Å; L74-R76 PolarHBondContact O-N 3.09Å; L74-Q77 WeakPolarHBondContact O-CB 3.41Å; L74-Q77 PolarHBondContact O-N 3.32Å; L74-C78 PolarHBondContact O-N 3.02Å; L74-C78 PolarHBondContact O-SG 3.07Å
75	E	82.6	Confident	73.2	Confident	88 Å²	88	133.3 Å²	133.3	41%	0.411	63%	0.629	S	S	.	*	H	α-helix	trans	-53.8	-44.5	173.8	-73.9	165.6	-169.4	0	0	111.5	R71 Q77 C78 Q79	R71-E75 WeakPolarHBondContact CG-OE1 3.49Å; R71-E75 IonicContact NE-OE1 3.88Å; R71-E75 PolarHBondContact NE-OE1 3.41Å; R71-E75 WeakPolarHBondContact O-CG 3.23Å; R71-E75 PolarHBondContact O-N 2.93Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.41Å; E75-C78 PolarHBondContact O-N 3.43Å; E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 2.8Å
76	R	76.6	Confident	71.5	Confident	139 Å²	139	129.1 Å²	129.1	53%	0.525	64%	0.638	S	S	.	*	H	α-helix	trans	-66.6	-33.2	175.9	-74.1	170.8	-179.9	-166.3	-3.7	113.2	K72 K73 L74 Q79 M80	K72-R76 WeakPolarHBondContact O-CD 3.47Å; K72-R76 VanDerWaalsContact O-CG 3.22Å; K72-R76 WeakPolarHBondContact O-CG 3.25Å; K72-R76 PolarHBondContact O-N 3.4Å; K73-R76 PolarHBondContact O-N 3.02Å; L74-R76 VanDerWaalsContact C-N 3.28Å; L74-R76 PolarHBondContact O-N 3.09Å; R76-Q79 PolarHBondContact O-N 2.98Å; R76-M80 WeakPolarHBondContact O-CG 3.46Å
77	Q	74.4	Confident	69.4	Low	134 Å²	134	129.8 Å²	129.8	63%	0.626	64%	0.643	S	S	*	*	H	α-helix	trans	-74.7	-33.8	-178.7	-166	170.1	10.5	0	0	111.4	K73 L74 E75 Q79	K73-Q77 WeakPolarHBondContact O-CB 3.44Å; K73-Q77 PolarHBondContact O-N 2.88Å; L74-Q77 WeakPolarHBondContact O-CB 3.41Å; L74-Q77 PolarHBondContact O-N 3.32Å; E75-Q77 VanDerWaalsContact C-N 3.33Å; E75-Q77 PolarHBondContact O-N 3.41Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å
78	C	71.5	Confident	67.5	Low	106 Å²	106	130.9 Å²	130.9	72%	0.716	65%	0.653	S	S	*	*	H	α-helix	trans	-74.3	-19.4	173.5	-64.8	0	0	0	0	113.7	L74 E75	L74-C78 PolarHBondContact O-N 3.02Å; L74-C78 PolarHBondContact O-SG 3.07Å; E75-C78 PolarHBondContact O-N 3.43Å
79	Q	65.9	Low	65.7	Low	163 Å²	163	133.9 Å²	133.9	76%	0.762	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	0	-179.9	-74.2	177.6	-2	0	0	114.2	E75 R76 Q77 E81	E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 2.8Å; R76-Q79 PolarHBondContact O-N 2.98Å; Q77-Q79 VanDerWaalsContact C-N 3.32Å; Q79-E81 PolarHBondContact O-N 3.26Å
80	M	53.3	Low	64	Low	110 Å²	110	132.5 Å²	132.5	54%	0.542	66%	0.66	S	S	.	*			trans	-86.3	113.5	177.5	-55.1	-136.4	86.1	0	0	109.8	R76	R76-M80 WeakPolarHBondContact O-CG 3.46Å
81	E	54.2	Low	62.6	Low	155 Å²	155	133.8 Å²	133.8	72%	0.724	66%	0.661	S	S	*	*			trans	-60	142.9	163.7	-73.3	-68.1	139.2	0	0	110.1	Q79 N83 S84	Q79-E81 PolarHBondContact O-N 3.26Å; E81-N83 PolarHBondContact O-N 3.35Å; E81-S84 PolarHBondContact O-N 3.05Å
82	P	55.2	Low	61	Low	123 Å²	123	132.7 Å²	132.7	80%	0.799	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-3.1	-169.9	24.5	-32	0	0	0	115.6
83	N	48.4	Very low	59.7	Low	159 Å²	159	139.4 Å²	139.4	85%	0.85	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	13	-177.6	-85.6	-5.4	0	0	0	115.3	E81	E81-N83 PolarHBondContact O-N 3.35Å
84	S	50.6	Low	58.9	Low	77 Å²	77	140.8 Å²	140.8	54%	0.538	69%	0.693	S	S	.	*	S	Bend	trans	-93.6	104.4	168.7	179.5	0	0	0	0	109	E81 G86	E81-S84 PolarHBondContact O-N 3.05Å; S84-G86 PolarHBondContact O-N 3.33Å
85	D	46.3	Very low	58.8	Low	142 Å²	142	143.2 Å²	143.2	76%	0.759	71%	0.707	S	S	*	*			trans	-40.4	105.4	172.4	-87.2	-46.9	0	0	0	111	H87	D85-H87 PolarHBondContact O-N 3.18Å
86	G	49.3	Very low	58.9	Low	81 Å²	81	141.8 Å²	141.8	84%	0.835	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	19.3	-175.4	0	0	0	0	0	114.5	S84	S84-G86 PolarHBondContact O-N 3.33Å
87	H	45	Very low	59.6	Low	138 Å²	138	139.9 Å²	139.9	64%	0.639	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-2.9	-175.7	-132.3	-106.5	0	0	0	113.9	D85 R89	D85-H87 PolarHBondContact O-N 3.18Å; H87-R89 VanDerWaalsContact C-N 3.3Å; H87-R89 PolarHBondContact O-N 3.37Å
88	D	48.3	Very low	60.5	Low	154 Å²	154	137.6 Å²	137.6	82%	0.824	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	30.9	-166.9	-117.9	1.7	0	0	0	116.4
89	R	51.3	Low	61.7	Low	182 Å²	182	133.1 Å²	133.1	69%	0.687	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	-6.8	172.6	-69.1	-169.7	-177.1	152.8	10.2	115.7	H87 R91	H87-R89 VanDerWaalsContact C-N 3.3Å; H87-R89 PolarHBondContact O-N 3.37Å; R89-R91 PolarHBondContact O-N 3.18Å
90	K	49.3	Very low	63.1	Low	163 Å²	163	129.6 Å²	129.6	71%	0.709	66%	0.656	S	S	*	*	S	Bend	trans	-71.3	95.4	157.8	-74.8	177	-177.6	168	0	104.3	V92	K90-V92 PolarHBondContact O-N 3.18Å
91	R	56.4	Low	65.2	Low	188 Å²	188	124.9 Å²	124.9	71%	0.709	63%	0.633	S	S	*	*			trans	-39.8	121.2	172.8	-72.9	-177.1	-168.4	-177.1	3.7	106.2	R89 R93	R89-R91 PolarHBondContact O-N 3.18Å; R91-R93 PolarHBondContact O-N 2.86Å
92	V	53.5	Low	67.3	Low	120 Å²	120	119.9 Å²	119.9	73%	0.727	61%	0.608	S	S	*	*			trans	-43.2	113.8	172.4	176.3	0	0	0	0	105.5	K90 R94	K90-V92 PolarHBondContact O-N 3.18Å; V92-R94 PolarHBondContact O-N 2.79Å
93	R	56.2	Low	69.4	Low	245 Å²	245	115.9 Å²	115.9	93%	0.925	58%	0.58	S	S	*	*			trans	-72.5	86.4	-177.8	-154.4	178	-174.8	-177.4	-2.6	103.3	R91	R91-R93 PolarHBondContact O-N 2.86Å
94	R	67.7	Low	71.8	Confident	181 Å²	181	108.3 Å²	108.3	68%	0.683	54%	0.539	S	S	*	.			trans	-57.4	143.6	177.2	-58.6	-173.3	-159.8	122.6	-2.4	106.5	V92 V96	V92-R94 PolarHBondContact O-N 2.79Å; R94-V96 HydrophobicContact CB-CG2 4.48Å; R94-V96 VanDerWaalsContact O-CG2 3.25Å; R94-V96 WeakPolarHBondContact O-CG2 3.33Å; R94-V96 PolarHBondContact O-N 3.01Å
95	D	78.5	Confident	74.1	Confident	160 Å²	160	105.4 Å²	105.4	86%	0.856	52%	0.517	S	S	*	.			trans	-65	107.6	168.5	-163.4	12.4	0	0	0	106.8
96	V	85.1	Confident	76.6	Confident	58 Å²	58	99.2 Å²	99.2	35%	0.352	48%	0.484	S	S	.	.			trans	-98.9	107.9	-171	-177.8	0	0	0	0	108.5	R94 H98 P138	R94-V96 HydrophobicContact CB-CG2 4.48Å; R94-V96 VanDerWaalsContact O-CG2 3.25Å; R94-V96 WeakPolarHBondContact O-CG2 3.33Å; R94-V96 PolarHBondContact O-N 3.01Å; V96-H98 PolarHBondContact O-N 3.45Å; V96-H98 PolarHBondContact O-ND1 2.85Å; V96-P138 HydrophobicContact CG1-CG 3.47Å; V96-P138 VanDerWaalsContact CG1-CG 3.47Å
97	V	91.9	Very high	78.9	Confident	98 Å²	98	95.6 Å²	95.6	59%	0.594	45%	0.446	S	S	*	.			trans	-81.4	112.4	171.9	-175.8	0	0	0	0	108.5	H137	V97-H137 WeakPolarHBondContact O-CA 3.49Å; V97-H137 PolarHBondContact O-ND1 3.03Å
98	H	93.4	Very high	81.4	Confident	86 Å²	86	90.7 Å²	90.7	40%	0.398	43%	0.427	S	S	.	.			trans	-76.4	143.3	177.8	-66.4	65.3	0	0	0	110	V96 P138	V96-H98 PolarHBondContact O-N 3.45Å; V96-H98 PolarHBondContact O-ND1 2.85Å; H98-P138 WeakPolarHBondContact CA-O 3.29Å
99	S	95.4	Very high	83.8	Confident	12 Å²	12	87.7 Å²	87.7	8%	0.084	41%	0.407	C	S	.	.			trans	-77	148.9	167.4	177	0	0	0	0	109.4	L101 P138 Q140 E199	S99-L101 WeakPolarHBondContact OG-CB 3.5Å; S99-L101 PolarHBondContact OG-N 3.16Å; S99-L101 VanDerWaalsContact OG-N 3.14Å; S99-P138 PolarHBondContact N-O 3.45Å; S99-Q140 PolarHBondContact O-NE2 3.49Å; S99-E199 WeakPolarHBondContact CB-OE2 3.46Å; S99-E199 PolarHBondContact OG-OE2 3.26Å
100	T	96.5	Very high	86	Confident	89 Å²	89	80.1 Å²	80.1	55%	0.546	38%	0.38	S	S	.	.			trans	-78.2	-11.4	172.7	57	0	0	0	0	112.5	R102 E199	T100-R102 PolarHBondContact O-N 3.05Å; T100-E199 CarbonylContact C-O 3.57Å; T100-E199 WeakPolarHBondContact OG1-CB 3.45Å; T100-E199 PolarHBondContact OG1-O 3.13Å
101	L	97.8	Very high	88.2	Confident	12 Å²	12	79.1 Å²	79.1	6%	0.063	38%	0.378	C	S	.	.			trans	-57.6	132.4	-179.7	-170.6	145.7	0	0	0	110.5	S99 L103 V139 Q140 L197 E199 Y203	S99-L101 WeakPolarHBondContact OG-CB 3.5Å; S99-L101 PolarHBondContact OG-N 3.16Å; S99-L101 VanDerWaalsContact OG-N 3.14Å; L101-L103 HydrophobicContact CD2-CB 4.21Å; L101-V139 HydrophobicContact CB-CG1 4.33Å; L101-V139 HydrophobicContact CD2-CB 4.28Å; L101-V139 HydrophobicContact CD2-CG1 3.92Å; L101-V139 WeakPolarHBondContact O-CB 3.45Å; L101-Q140 PolarHBondContact O-N 2.96Å; L101-L197 HydrophobicContact CD1-CB 3.97Å; L101-L197 HydrophobicContact CD1-CD1 4.42Å; L101-E199 VanDerWaalsContact CA-O 3.27Å; L101-E199 WeakPolarHBondContact CA-O 3.46Å; L101-E199 HydrophobicContact CB-CB 4.39Å; L101-E199 PolarHBondContact N-O 2.96Å; L101-E199 VanDerWaalsContact N-O 3.07Å; L101-Y203 HydrophobicContact CD1-CD2 3.79Å; L101-Y203 HydrophobicContact CD1-CE2 3.59Å; L101-Y203 HydrophobicContact CD2-CD2 3.93Å; L101-Y203 HydrophobicContact CG-CD2 3.86Å; L101-Y203 HydrophobicContact CG-CE2 4.04Å
102	R	98.4	Very high	90.2	Very high	49 Å²	49	76 Å²	76	19%	0.185	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.6	175.9	-67	166.4	-74.9	175.3	-2.6	108.9	T100 Q140 Y142 D182 S200 K201 A202 Y203	T100-R102 PolarHBondContact O-N 3.05Å; R102-Q140 WeakPolarHBondContact CA-O 3.38Å; R102-Q140 HydrophobicContact CG-CB 4.01Å; R102-Q140 HydrophobicContact CG-CG 4.48Å; R102-Y142 HydrophobicContact CB-CE2 4.41Å; R102-Y142 HydrophobicContact CG-CE2 4.12Å; R102-D182 IonicContact CZ-OD2 3.77Å; R102-D182 IonicContact NH1-OD2 3.89Å; R102-D182 IonicContact NH2-OD2 3.97Å; R102-D182 PolarHBondContact NH2-OD2 3.47Å; R102-S200 PolarHBondContact NH2-O 3.07Å; R102-K201 PolarHBondContact N-O 2.88Å; R102-A202 HydrophobicContact CB-CB 3.88Å; R102-A202 CarbonylContact O-C 3.53Å; R102-A202 WeakPolarHBondContact O-CA 3.39Å; R102-Y203 PolarHBondContact O-N 2.96Å
103	L	98.6	Very high	92.3	Very high	40 Å²	40	72.4 Å²	72.4	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.1	175.7	-169.3	67.6	0	0	0	109.1	L101 V139 Q140 F141 Y142 Y203 I205	L101-L103 HydrophobicContact CD2-CB 4.21Å; L103-V139 HydrophobicContact CB-CB 4.42Å; L103-V139 HydrophobicContact CB-CG2 3.75Å; L103-V139 HydrophobicContact CD2-CG2 4.17Å; L103-Q140 PolarHBondContact N-O 3.09Å; L103-F141 WeakPolarHBondContact O-CD2 3.16Å; L103-Y142 PolarHBondContact O-N 2.79Å; L103-Y203 WeakPolarHBondContact CA-O 3.49Å; L103-I205 HydrophobicContact CD1-CD1 3.96Å; L103-I205 HydrophobicContact CD1-CG1 4.21Å; L103-I205 HydrophobicContact CD2-CD1 4.22Å; L103-I205 HydrophobicContact CG-CD1 4.19Å
104	I	98.8	Very high	94.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.4	-171.7	-57.9	156.4	0	0	0	108.6	Y142 T144 I178 L183 A202 Y203 V204 I205	I104-Y142 HydrophobicContact CG1-CD2 4.43Å; I104-Y142 HydrophobicContact CG1-CG 4.17Å; I104-T144 HydrophobicContact CG2-CG2 3.69Å; I104-T144 WeakPolarHBondContact CG2-OG1 3.3Å; I104-I178 HydrophobicContact CD1-CG1 3.92Å; I104-L183 HydrophobicContact CD1-CD2 4.11Å; I104-A202 HydrophobicContact CD1-CB 3.93Å; I104-Y203 PolarHBondContact N-O 3.44Å; I104-V204 HydrophobicContact CB-CG2 4.29Å; I104-V204 HydrophobicContact CD1-CG2 4.04Å; I104-V204 HydrophobicContact CG2-CG1 4.48Å; I104-V204 CarbonylContact O-C 3.52Å; I104-V204 WeakPolarHBondContact O-CA 3.48Å; I104-I205 PolarHBondContact O-N 2.98Å
105	I	98.6	Very high	95.6	Very high	15 Å²	15	60.2 Å²	60.2	8%	0.077	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.5	164.4	-63.2	178	0	0	0	107.6	C107 I125 C128 F141 Y142 T144	I105-C107 PolarHBondContact O-N 3.19Å; I105-I125 HydrophobicContact CD1-CG1 4.11Å; I105-C128 HydrophobicContact CD1-CB 4.48Å; I105-F141 HydrophobicContact CD1-CE2 3.63Å; I105-F141 HydrophobicContact CD1-CZ 3.52Å; I105-F141 HydrophobicContact CG1-CE2 3.85Å; I105-F141 HydrophobicContact CG1-CZ 4.26Å; I105-Y142 PolarHBondContact N-O 3.12Å; I105-T144 PolarHBondContact O-N 3.23Å
106	D	98.6	Very high	96.5	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.7	175.1	-178	20.5	0	0	0	111	S108 F109 Y174 V204 I205	D106-S108 VanDerWaalsContact CG-OG 3.25Å; D106-S108 WeakPolarHBondContact OD1-CB 3.46Å; D106-S108 PolarHBondContact OD1-N 3.38Å; D106-S108 PolarHBondContact OD1-OG 2.85Å; D106-S108 PolarHBondContact OD2-OG 2.85Å; D106-F109 HydrophobicContact CB-CE2 4.49Å; D106-F109 VanDerWaalsContact OD2-CE2 3.28Å; D106-F109 WeakPolarHBondContact OD2-CE2 3.33Å; D106-Y174 HydrophobicContact CB-CD1 4.12Å; D106-Y174 HydrophobicContact CB-CE1 4.2Å; D106-V204 HydrophobicContact CB-CG1 3.83Å; D106-I205 PolarHBondContact N-O 3.16Å
107	C	98.3	Very high	97.1	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.034	31%	0.311	C	S	.	.			trans	-98.1	18.2	177.8	-57.4	0	0	0	0	113.5	I105 F109 L143 T144 L150	I105-C107 PolarHBondContact O-N 3.19Å; C107-F109 PolarHBondContact O-N 3.42Å; C107-L143 HydrophobicContact CB-CD2 4.32Å; C107-L143 WeakPolarHBondContact SG-CD2 3.46Å; C107-T144 VanDerWaalsContact CB-O 3.24Å; C107-T144 WeakPolarHBondContact CB-O 3.24Å; C107-T144 PolarHBondContact N-O 3.19Å; C107-T144 VanDerWaalsContact N-O 3.12Å; C107-L150 HydrophobicContact CB-CD2 3.91Å
108	S	98.1	Very high	97.4	Very high	36 Å²	36	55.6 Å²	55.6	25%	0.252	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.4	178.5	69.8	0	0	0	0	114.1	D106 D110 H111	D106-S108 VanDerWaalsContact CG-OG 3.25Å; D106-S108 WeakPolarHBondContact OD1-CB 3.46Å; D106-S108 PolarHBondContact OD1-N 3.38Å; D106-S108 PolarHBondContact OD1-OG 2.85Å; D106-S108 PolarHBondContact OD2-OG 2.85Å; S108-D110 VanDerWaalsContact C-N 3.34Å; S108-D110 PolarHBondContact O-N 3.36Å; S108-H111 PolarHBondContact O-ND1 2.81Å
109	F	97.8	Very high	97.5	Very high	90 Å²	90	54.9 Å²	54.9	40%	0.395	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	17	-176.7	-51.9	-74.9	0	0	0	115	D106 C107 H111 L112 M113	D106-F109 HydrophobicContact CB-CE2 4.49Å; D106-F109 VanDerWaalsContact OD2-CE2 3.28Å; D106-F109 WeakPolarHBondContact OD2-CE2 3.33Å; C107-F109 PolarHBondContact O-N 3.42Å; F109-H111 PolarHBondContact O-N 3.08Å; F109-L112 HydrophobicContact CB-CD1 4.22Å; F109-L112 HydrophobicContact CD1-CD1 3.79Å; F109-L112 HydrophobicContact CG-CD1 4.46Å; F109-L112 PolarHBondContact O-N 3.44Å; F109-M113 WeakPolarHBondContact O-CE 3.37Å
110	D	96.4	Very high	97.7	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.123	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-51.9	-40.9	-178.4	-175.7	86	0	0	0	113.3	S108 L112 M113 I118 G148 Q149 L150	S108-D110 VanDerWaalsContact C-N 3.34Å; S108-D110 PolarHBondContact O-N 3.36Å; D110-L112 VanDerWaalsContact C-N 3.28Å; D110-L112 PolarHBondContact O-N 2.91Å; D110-M113 PolarHBondContact O-N 3.28Å; D110-I118 VanDerWaalsContact OD1-CD1 3.3Å; D110-I118 WeakPolarHBondContact OD1-CD1 3.49Å; D110-G148 WeakPolarHBondContact OD2-CA 3.22Å; D110-Q149 VanDerWaalsContact CG-N 3.31Å; D110-Q149 PolarHBondContact O-NE2 3.25Å; D110-Q149 WeakPolarHBondContact OD1-CB 3.37Å; D110-Q149 PolarHBondContact OD1-N 3.28Å; D110-Q149 VanDerWaalsContact OD1-N 3.09Å; D110-Q149 PolarHBondContact OD2-N 3.48Å; D110-L150 WeakPolarHBondContact OD1-CB 3.44Å; D110-L150 PolarHBondContact OD1-N 3.31Å
111	H	96.9	Very high	97.8	Very high	142 Å²	142	55.9 Å²	55.9	66%	0.657	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-70.6	-19.9	-177.6	64.5	-81.6	0	0	0	113.9	S108 F109 M113	S108-H111 PolarHBondContact O-ND1 2.81Å; F109-H111 PolarHBondContact O-N 3.08Å; H111-M113 VanDerWaalsContact C-N 3.33Å
112	L	97.9	Very high	97.8	Very high	123 Å²	123	55.6 Å²	55.6	64%	0.644	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-83.1	-12.4	177.3	-59.2	179.8	0	0	0	112.6	F109 D110	F109-L112 HydrophobicContact CB-CD1 4.22Å; F109-L112 HydrophobicContact CD1-CD1 3.79Å; F109-L112 HydrophobicContact CG-CD1 4.46Å; F109-L112 PolarHBondContact O-N 3.44Å; D110-L112 VanDerWaalsContact C-N 3.28Å; D110-L112 PolarHBondContact O-N 2.91Å
113	M	97.1	Very high	97.7	Very high	44 Å²	44	60.2 Å²	60.2	22%	0.217	30%	0.295	C	S	.	.	S	Bend	trans	-103.3	135.7	-175.6	-71.9	-179.4	-81.5	0	0	112.4	F109 D110 H111 D117 I118 L121 Q149	F109-M113 WeakPolarHBondContact O-CE 3.37Å; D110-M113 PolarHBondContact O-N 3.28Å; H111-M113 VanDerWaalsContact C-N 3.33Å; M113-D117 HydrophobicContact CB-CB 4.24Å; M113-D117 HydrophobicContact CG-CB 4.32Å; M113-I118 HydrophobicContact CB-CD1 3.66Å; M113-I118 HydrophobicContact CB-CG1 3.92Å; M113-I118 HydrophobicContact CE-CD1 3.63Å; M113-I118 HydrophobicContact CG-CD1 4.45Å; M113-I118 HydrophobicContact SD-CD1 4Å; M113-L121 HydrophobicContact CE-CD2 3.52Å; M113-L121 HydrophobicContact SD-CB 4.33Å; M113-L121 HydrophobicContact SD-CD2 3.88Å; M113-Q149 PolarHBondContact O-NE2 3.01Å
114	V	97.7	Very high	97.7	Very high	92 Å²	92	63.9 Å²	63.9	56%	0.558	31%	0.311	S	S	*	.			trans	-74	156.5	165.6	-62	0	0	0	0	110.4	K116 D117 I118	V114-K116 HydrophobicContact CG2-CB 4.33Å; V114-K116 PolarHBondContact O-N 2.86Å; V114-D117 HydrophobicContact CG2-CB 4.35Å; V114-D117 WeakPolarHBondContact CG2-OD2 3.43Å; V114-D117 WeakPolarHBondContact O-CA 3.43Å; V114-D117 PolarHBondContact O-N 3.34Å; V114-I118 PolarHBondContact O-N 2.83Å
115	L	95.8	Very high	97.7	Very high	79 Å²	79	63.9 Å²	63.9	41%	0.414	31%	0.311	S	S	.	.	H	α-helix	trans	-53.2	-29.6	-177.7	-174.8	62.9	0	0	0	114.5	D117 K119	L115-D117 VanDerWaalsContact C-N 3.3Å; L115-K119 HydrophobicContact CG-CD 4.5Å; L115-K119 WeakPolarHBondContact O-CG 3.49Å; L115-K119 PolarHBondContact O-N 2.79Å; L115-K119 VanDerWaalsContact O-N 3.08Å
116	K	96.7	Very high	97.6	Very high	153 Å²	153	66.2 Å²	66.2	67%	0.665	32%	0.321	S	S	*	.	H	α-helix	trans	-66	-34.8	175.5	-169.9	-172.4	175.8	-169.3	0	111.7	V114 K120	V114-K116 HydrophobicContact CG2-CB 4.33Å; V114-K116 PolarHBondContact O-N 2.86Å; K116-K120 WeakPolarHBondContact O-CG 3.38Å; K116-K120 PolarHBondContact O-N 2.94Å
117	D	97.9	Very high	97.6	Very high	65 Å²	65	72.4 Å²	72.4	35%	0.348	34%	0.344	S	S	.	.	H	α-helix	trans	-83.6	-37.3	-179.8	-62.4	-30.9	0	0	0	110.9	M113 V114 L115 K119 K120 L121	M113-D117 HydrophobicContact CB-CB 4.24Å; M113-D117 HydrophobicContact CG-CB 4.32Å; V114-D117 HydrophobicContact CG2-CB 4.35Å; V114-D117 WeakPolarHBondContact CG2-OD2 3.43Å; V114-D117 WeakPolarHBondContact O-CA 3.43Å; V114-D117 PolarHBondContact O-N 3.34Å; L115-D117 VanDerWaalsContact C-N 3.3Å; D117-K119 PolarHBondContact O-N 3.48Å; D117-K120 CarbonylContact O-C 3.13Å; D117-K120 WeakPolarHBondContact O-CA 3.47Å; D117-K120 WeakPolarHBondContact O-CB 3.4Å; D117-K120 PolarHBondContact O-N 3.34Å; D117-K120 IonicContact OD1-NZ 2.7Å; D117-K120 PolarHBondContact OD1-NZ 2.94Å; D117-L121 PolarHBondContact O-N 3.05Å
118	I	98	Very high	97.6	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-52.8	-43.7	166.9	-64.5	-64.4	0	0	0	111.7	D110 M113 V114 K120 L121 H122 Q149 L150 N153	D110-I118 VanDerWaalsContact OD1-CD1 3.3Å; D110-I118 WeakPolarHBondContact OD1-CD1 3.49Å; M113-I118 HydrophobicContact CB-CD1 3.66Å; M113-I118 HydrophobicContact CB-CG1 3.92Å; M113-I118 HydrophobicContact CE-CD1 3.63Å; M113-I118 HydrophobicContact CG-CD1 4.45Å; M113-I118 HydrophobicContact SD-CD1 4Å; V114-I118 PolarHBondContact O-N 2.83Å; I118-K120 VanDerWaalsContact C-N 3.27Å; I118-K120 PolarHBondContact O-N 3.3Å; I118-L121 PolarHBondContact O-N 3.4Å; I118-H122 WeakPolarHBondContact O-CB 3.45Å; I118-H122 PolarHBondContact O-N 2.78Å; I118-Q149 HydrophobicContact CD1-CB 4.19Å; I118-Q149 HydrophobicContact CG1-CB 3.92Å; I118-Q149 HydrophobicContact CG2-CB 4.21Å; I118-L150 HydrophobicContact CG2-CB 4.36Å; I118-L150 HydrophobicContact CG2-CD1 4.4Å; I118-N153 HydrophobicContact CG2-CB 4.07Å
119	K	97.2	Very high	97.5	Very high	72 Å²	72	74.8 Å²	74.8	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-65.6	-27.5	175.4	-76.1	170.6	-178.2	170.8	0	113.4	L115 D117 K123 N153	L115-K119 HydrophobicContact CG-CD 4.5Å; L115-K119 WeakPolarHBondContact O-CG 3.49Å; L115-K119 PolarHBondContact O-N 2.79Å; L115-K119 VanDerWaalsContact O-N 3.08Å; D117-K119 PolarHBondContact O-N 3.48Å; K119-K123 WeakPolarHBondContact O-CG 3.26Å; K119-K123 PolarHBondContact O-N 3.03Å; K119-N153 WeakPolarHBondContact CG-OD1 3.34Å
120	K	98.1	Very high	97.4	Very high	90 Å²	90	72.5 Å²	72.5	39%	0.391	35%	0.352	S	S	.	.	H	α-helix	trans	-77.4	-44.8	173.2	-67.1	-169.2	-157.6	75.3	0	110.8	K116 D117 I118 H122 K123 Q124	K116-K120 WeakPolarHBondContact O-CG 3.38Å; K116-K120 PolarHBondContact O-N 2.94Å; D117-K120 CarbonylContact O-C 3.13Å; D117-K120 WeakPolarHBondContact O-CA 3.47Å; D117-K120 WeakPolarHBondContact O-CB 3.4Å; D117-K120 PolarHBondContact O-N 3.34Å; D117-K120 IonicContact OD1-NZ 2.7Å; D117-K120 PolarHBondContact OD1-NZ 2.94Å; I118-K120 VanDerWaalsContact C-N 3.27Å; I118-K120 PolarHBondContact O-N 3.3Å; K120-H122 VanDerWaalsContact C-N 3.34Å; K120-H122 PolarHBondContact O-N 3Å; K120-K123 WeakPolarHBondContact O-CA 3.5Å; K120-K123 WeakPolarHBondContact O-CB 3.42Å; K120-K123 PolarHBondContact O-N 2.9Å; K120-Q124 PolarHBondContact O-N 3.44Å
121	L	98.3	Very high	97.4	Very high	31 Å²	31	74.8 Å²	74.8	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-56.5	-47.9	175.9	178.9	61.1	0	0	0	111	M113 D117 I118 K123 Q124 I125 L150	M113-L121 HydrophobicContact CE-CD2 3.52Å; M113-L121 HydrophobicContact SD-CB 4.33Å; M113-L121 HydrophobicContact SD-CD2 3.88Å; D117-L121 PolarHBondContact O-N 3.05Å; I118-L121 PolarHBondContact O-N 3.4Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3.03Å; L121-Q124 WeakPolarHBondContact O-CA 3.38Å; L121-Q124 WeakPolarHBondContact O-CB 3.47Å; L121-Q124 PolarHBondContact O-N 2.7Å; L121-I125 HydrophobicContact CD1-CD1 4.16Å; L121-I125 HydrophobicContact CD1-CG1 4.39Å; L121-I125 HydrophobicContact CG-CD1 3.87Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 3.17Å; L121-L150 HydrophobicContact CD2-CD1 4.45Å; L121-L150 HydrophobicContact CD2-CD2 4.13Å; L121-L150 HydrophobicContact CG-CD1 4.5Å
122	H	98	Very high	97.4	Very high	7 Å²	7	68.8 Å²	68.8	3%	0.032	34%	0.335	C	S	.	.	H	α-helix	trans	-55.6	-43.6	174.6	178.2	-167.4	0	0	0	111.8	I118 K120 Q124 I125 Q126 L150 N153	I118-H122 WeakPolarHBondContact O-CB 3.45Å; I118-H122 PolarHBondContact O-N 2.78Å; K120-H122 VanDerWaalsContact C-N 3.34Å; K120-H122 PolarHBondContact O-N 3Å; H122-Q124 VanDerWaalsContact C-N 3.33Å; H122-Q124 PolarHBondContact O-N 3.03Å; H122-I125 PolarHBondContact O-N 2.87Å; H122-Q126 PolarHBondContact NE2-NE2 2.92Å; H122-Q126 WeakPolarHBondContact O-CG 3.31Å; H122-Q126 PolarHBondContact O-N 2.94Å; H122-L150 HydrophobicContact CB-CD1 4.03Å; H122-N153 WeakPolarHBondContact CB-ND2 3.28Å; H122-N153 PolarHBondContact ND1-ND2 2.9Å
123	K	97.8	Very high	97.2	Very high	146 Å²	146	68.7 Å²	68.7	64%	0.635	33%	0.326	S	S	*	.	H	α-helix	trans	-64.9	-35.6	176	-76.1	179.1	177.6	-180	0	113.1	K119 K120 L121 R127	K119-K123 WeakPolarHBondContact O-CG 3.26Å; K119-K123 PolarHBondContact O-N 3.03Å; K120-K123 WeakPolarHBondContact O-CA 3.5Å; K120-K123 WeakPolarHBondContact O-CB 3.42Å; K120-K123 PolarHBondContact O-N 2.9Å; L121-K123 VanDerWaalsContact C-N 3.3Å; L121-K123 PolarHBondContact O-N 3.03Å; K123-R127 PolarHBondContact O-N 2.87Å
124	Q	98.2	Very high	96.9	Very high	116 Å²	116	73.5 Å²	73.5	54%	0.542	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-44.3	175.8	-72.1	167.3	-41	0	0	110.6	K120 L121 H122 Q126 R127 C128	K120-Q124 PolarHBondContact O-N 3.44Å; L121-Q124 WeakPolarHBondContact O-CA 3.38Å; L121-Q124 WeakPolarHBondContact O-CB 3.47Å; L121-Q124 PolarHBondContact O-N 2.7Å; H122-Q124 VanDerWaalsContact C-N 3.33Å; H122-Q124 PolarHBondContact O-N 3.03Å; Q124-Q126 PolarHBondContact O-N 3.49Å; Q124-R127 CarbonylContact O-C 3.58Å; Q124-R127 WeakPolarHBondContact O-CA 3.44Å; Q124-R127 VanDerWaalsContact O-CB 3.31Å; Q124-R127 WeakPolarHBondContact O-CB 3.28Å; Q124-R127 PolarHBondContact O-N 2.84Å; Q124-C128 PolarHBondContact O-N 2.94Å; Q124-C128 PolarHBondContact O-SG 3Å; Q124-C128 VanDerWaalsContact O-SG 3.33Å
125	I	98	Very high	96.7	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-46.6	173.5	-70	158.9	0	0	0	111.1	I105 L121 H122 R127 C128 Y129 L143 L150 W164	I105-I125 HydrophobicContact CD1-CG1 4.11Å; L121-I125 HydrophobicContact CD1-CD1 4.16Å; L121-I125 HydrophobicContact CD1-CG1 4.39Å; L121-I125 HydrophobicContact CG-CD1 3.87Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 3.17Å; H122-I125 PolarHBondContact O-N 2.87Å; I125-R127 PolarHBondContact O-N 3.09Å; I125-C128 PolarHBondContact O-N 2.97Å; I125-Y129 WeakPolarHBondContact O-CB 3.47Å; I125-Y129 PolarHBondContact O-N 3.09Å; I125-L143 HydrophobicContact CD1-CD1 3.95Å; I125-L143 HydrophobicContact CG1-CD1 4.25Å; I125-L143 HydrophobicContact CG2-CD1 3.63Å; I125-L150 HydrophobicContact CD1-CD1 4.1Å; I125-L150 HydrophobicContact CD1-CD2 3.91Å; I125-W164 HydrophobicContact CG2-CH2 4.21Å; I125-W164 HydrophobicContact CG2-CZ3 3.92Å
126	Q	97.3	Very high	96.5	Very high	65 Å²	65	73.6 Å²	73.6	30%	0.304	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-38.6	174.5	-74.3	178.7	-42.2	0	0	112	H122 Q124 A130 D158 W164	H122-Q126 PolarHBondContact NE2-NE2 2.92Å; H122-Q126 WeakPolarHBondContact O-CG 3.31Å; H122-Q126 PolarHBondContact O-N 2.94Å; Q124-Q126 PolarHBondContact O-N 3.49Å; Q126-A130 VanDerWaalsContact O-CB 3.28Å; Q126-A130 WeakPolarHBondContact O-CB 3.49Å; Q126-A130 PolarHBondContact O-N 2.95Å; Q126-D158 PolarHBondContact NE2-OD2 3.19Å; Q126-W164 HydrophobicContact CB-CH2 4.47Å; Q126-W164 HydrophobicContact CG-CH2 3.84Å; Q126-W164 HydrophobicContact CG-CZ2 4.03Å
127	R	97.8	Very high	96.4	Very high	142 Å²	142	71.3 Å²	71.3	54%	0.536	34%	0.335	S	S	.	.	H	α-helix	trans	-67	-49.2	176.3	-179.7	61.8	175.7	155.9	14	110.9	K123 Q124 I125 Y129 A130 E131	K123-R127 PolarHBondContact O-N 2.87Å; Q124-R127 CarbonylContact O-C 3.58Å; Q124-R127 WeakPolarHBondContact O-CA 3.44Å; Q124-R127 VanDerWaalsContact O-CB 3.31Å; Q124-R127 WeakPolarHBondContact O-CB 3.28Å; Q124-R127 PolarHBondContact O-N 2.84Å; I125-R127 PolarHBondContact O-N 3.09Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 2.95Å; R127-A130 PolarHBondContact O-N 2.96Å; R127-E131 HydrophobicContact CG-CG 4.49Å; R127-E131 IonicContact CZ-OE1 2.86Å; R127-E131 IonicContact CZ-OE2 3.68Å; R127-E131 IonicContact NE-OE1 3.14Å; R127-E131 IonicContact NH1-OE1 3.82Å; R127-E131 PolarHBondContact NH1-OE1 3.46Å; R127-E131 IonicContact NH2-OE1 3.75Å; R127-E131 PolarHBondContact NH2-OE1 3.45Å; R127-E131 VanDerWaalsContact NH2-OE1 3.15Å; R127-E131 IonicContact NH2-OE2 2.66Å; R127-E131 PolarHBondContact NH2-OE2 3.1Å; R127-E131 VanDerWaalsContact NH2-OE2 3.14Å; R127-E131 WeakPolarHBondContact O-CG 3.29Å; R127-E131 PolarHBondContact O-N 2.82Å
128	C	97.8	Very high	96.3	Very high	55 Å²	55	68.5 Å²	68.5	37%	0.372	32%	0.321	S	S	.	.	H	α-helix	trans	-57.5	-47	177.9	-65	0	0	0	0	111.3	I105 Q124 I125 A130 E131 N132 F141	I105-C128 HydrophobicContact CD1-CB 4.48Å; Q124-C128 PolarHBondContact O-N 2.94Å; Q124-C128 PolarHBondContact O-SG 3Å; Q124-C128 VanDerWaalsContact O-SG 3.33Å; I125-C128 PolarHBondContact O-N 2.97Å; C128-A130 PolarHBondContact O-N 3.38Å; C128-E131 PolarHBondContact O-N 2.94Å; C128-N132 WeakPolarHBondContact O-CB 3.33Å; C128-N132 PolarHBondContact O-N 3.19Å; C128-F141 HydrophobicContact CB-CE1 3.97Å; C128-F141 HydrophobicContact CB-CE2 4.42Å; C128-F141 HydrophobicContact CB-CZ 3.51Å
129	Y	97.3	Very high	96.3	Very high	36 Å²	36	69.9 Å²	69.9	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-47.4	176.1	174.3	-109.6	0	0	0	112.5	I125 R127 E131 N132 R133 W164 K165 I167	I125-Y129 WeakPolarHBondContact O-CB 3.47Å; I125-Y129 PolarHBondContact O-N 3.09Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 2.95Å; Y129-E131 VanDerWaalsContact C-N 3.3Å; Y129-E131 PolarHBondContact O-N 3.18Å; Y129-N132 PolarHBondContact O-N 2.92Å; Y129-R133 HydrophobicContact CD2-CG 4.24Å; Y129-R133 HydrophobicContact CE1-CG 4.32Å; Y129-R133 HydrophobicContact CE2-CG 3.83Å; Y129-R133 WeakPolarHBondContact O-CB 3.49Å; Y129-R133 VanDerWaalsContact O-CG 3.26Å; Y129-R133 WeakPolarHBondContact O-CG 3.38Å; Y129-R133 PolarHBondContact O-N 2.94Å; Y129-R133 VanDerWaalsContact O-N 3.07Å; Y129-W164 AromaticContact CD1-CD2 3.74Å; Y129-W164 HydrophobicContact CD1-CD2 3.74Å; Y129-W164 AromaticContact CD1-CE2 3.95Å; Y129-W164 AromaticContact CD1-CE3 3.82Å; Y129-W164 HydrophobicContact CD1-CE3 3.82Å; Y129-W164 HydrophobicContact CD1-CG 4.26Å; Y129-W164 HydrophobicContact CD1-CH2 4.34Å; Y129-W164 HydrophobicContact CD1-CZ2 4.24Å; Y129-W164 HydrophobicContact CD1-CZ3 4.13Å; Y129-W164 HydrophobicContact CD2-CD2 4.19Å; Y129-W164 AromaticContact CD2-CE3 3.76Å; Y129-W164 HydrophobicContact CD2-CE3 3.76Å; Y129-W164 HydrophobicContact CD2-CZ3 4.38Å; Y129-W164 HydrophobicContact CE1-CB 4.28Å; Y129-W164 AromaticContact CE1-CD2 3.74Å; Y129-W164 HydrophobicContact CE1-CD2 3.74Å; Y129-W164 HydrophobicContact CE1-CE3 4.22Å; Y129-W164 AromaticContact CE1-CG 3.75Å; Y129-W164 HydrophobicContact CE1-CG 3.75Å; Y129-W164 HydrophobicContact CE2-CB 3.79Å; Y129-W164 HydrophobicContact CE2-CD2 4.2Å; Y129-W164 HydrophobicContact CE2-CE3 4.17Å; Y129-W164 HydrophobicContact CE2-CG 4.08Å; Y129-W164 AromaticContact CG-CD2 3.97Å; Y129-W164 HydrophobicContact CG-CD2 3.97Å; Y129-W164 AromaticContact CG-CE3 3.57Å; Y129-W164 HydrophobicContact CG-CE3 3.57Å; Y129-W164 HydrophobicContact CG-CH2 4.42Å; Y129-W164 AromaticContact CG-CZ3 3.83Å; Y129-W164 HydrophobicContact CG-CZ3 3.83Å; Y129-W164 AromaticContact CZ-CD2 3.97Å; Y129-W164 AromaticContact CZ-CG 3.65Å; Y129-W164 WeakPolarHBondContact OH-CA 3.39Å; Y129-K165 VanDerWaalsContact CE2-O 3.28Å; Y129-K165 WeakPolarHBondContact CE2-O 3.42Å; Y129-K165 PolarHBondContact OH-N 3.22Å; Y129-K165 VanDerWaalsContact OH-N 3.09Å; Y129-I167 HydrophobicContact CD2-CB 4.4Å; Y129-I167 HydrophobicContact CD2-CD1 4.32Å; Y129-I167 HydrophobicContact CE2-CB 4.46Å; Y129-I167 HydrophobicContact CE2-CG2 4.3Å
130	A	95.7	Very high	96.3	Very high	41 Å²	41	69.4 Å²	69.4	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-34.3	180	0	0	0	0	0	113	Q126 R127 C128 R134	Q126-A130 VanDerWaalsContact O-CB 3.28Å; Q126-A130 WeakPolarHBondContact O-CB 3.49Å; Q126-A130 PolarHBondContact O-N 2.95Å; R127-A130 PolarHBondContact O-N 2.96Å; C128-A130 PolarHBondContact O-N 3.38Å; A130-R134 VanDerWaalsContact O-CD 3.31Å; A130-R134 WeakPolarHBondContact O-CD 3.33Å; A130-R134 VanDerWaalsContact O-CG 3.23Å; A130-R134 WeakPolarHBondContact O-CG 3.36Å
131	E	96.1	Very high	96.4	Very high	71 Å²	71	65.3 Å²	65.3	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-76.5	-41.3	176.4	-66.2	-57.5	110.9	0	0	111.8	R127 C128 Y129 R133 R134 A135	R127-E131 HydrophobicContact CG-CG 4.49Å; R127-E131 IonicContact CZ-OE1 2.86Å; R127-E131 IonicContact CZ-OE2 3.68Å; R127-E131 IonicContact NE-OE1 3.14Å; R127-E131 IonicContact NH1-OE1 3.82Å; R127-E131 PolarHBondContact NH1-OE1 3.46Å; R127-E131 IonicContact NH2-OE1 3.75Å; R127-E131 PolarHBondContact NH2-OE1 3.45Å; R127-E131 VanDerWaalsContact NH2-OE1 3.15Å; R127-E131 IonicContact NH2-OE2 2.66Å; R127-E131 PolarHBondContact NH2-OE2 3.1Å; R127-E131 VanDerWaalsContact NH2-OE2 3.14Å; R127-E131 WeakPolarHBondContact O-CG 3.29Å; R127-E131 PolarHBondContact O-N 2.82Å; C128-E131 PolarHBondContact O-N 2.94Å; Y129-E131 VanDerWaalsContact C-N 3.3Å; Y129-E131 PolarHBondContact O-N 3.18Å; E131-R133 VanDerWaalsContact C-N 3.3Å; E131-R133 PolarHBondContact O-N 3.19Å; E131-R134 CarbonylContact O-C 3.57Å; E131-R134 WeakPolarHBondContact O-CA 3.48Å; E131-R134 PolarHBondContact O-N 3.36Å; E131-R134 IonicContact OE1-NH1 3.15Å; E131-A135 PolarHBondContact O-N 3.42Å
132	N	96.3	Very high	96.4	Very high	17 Å²	17	65.9 Å²	65.9	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-44.3	176.1	-165.2	39.6	0	0	0	111.4	C128 Y129 R134 A135 P138 V139	C128-N132 WeakPolarHBondContact O-CB 3.33Å; C128-N132 PolarHBondContact O-N 3.19Å; Y129-N132 PolarHBondContact O-N 2.92Å; N132-R134 PolarHBondContact O-N 3.43Å; N132-A135 WeakPolarHBondContact O-CB 3.45Å; N132-A135 PolarHBondContact O-N 3.13Å; N132-A135 VanDerWaalsContact O-N 3.13Å; N132-P138 WeakPolarHBondContact O-CB 3.42Å; N132-P138 WeakPolarHBondContact O-CG 3.43Å; N132-P138 VanDerWaalsContact OD1-CA 3.26Å; N132-P138 WeakPolarHBondContact OD1-CA 3.36Å; N132-V139 PolarHBondContact ND2-O 2.67Å; N132-V139 WeakPolarHBondContact OD1-CG2 3.35Å; N132-V139 PolarHBondContact OD1-N 2.82Å
133	R	93.7	Very high	96.4	Very high	121 Å²	121	65.5 Å²	65.5	46%	0.457	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.5	175.3	-73.1	-78.3	-61.6	-173.8	1.5	114.6	Y129 E131 D166	Y129-R133 HydrophobicContact CD2-CG 4.24Å; Y129-R133 HydrophobicContact CE1-CG 4.32Å; Y129-R133 HydrophobicContact CE2-CG 3.83Å; Y129-R133 WeakPolarHBondContact O-CB 3.49Å; Y129-R133 VanDerWaalsContact O-CG 3.26Å; Y129-R133 WeakPolarHBondContact O-CG 3.38Å; Y129-R133 PolarHBondContact O-N 2.94Å; Y129-R133 VanDerWaalsContact O-N 3.07Å; E131-R133 VanDerWaalsContact C-N 3.3Å; E131-R133 PolarHBondContact O-N 3.19Å; R133-D166 IonicContact CZ-OD2 2.74Å; R133-D166 IonicContact NH1-OD2 3.42Å; R133-D166 PolarHBondContact NH1-OD2 3.43Å
134	R	91.7	Very high	96.4	Very high	144 Å²	144	58.6 Å²	58.6	54%	0.543	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-5.9	-179	-65.3	174.9	70.7	-177	-0.4	112.7	A130 E131 N132	A130-R134 VanDerWaalsContact O-CD 3.31Å; A130-R134 WeakPolarHBondContact O-CD 3.33Å; A130-R134 VanDerWaalsContact O-CG 3.23Å; A130-R134 WeakPolarHBondContact O-CG 3.36Å; E131-R134 CarbonylContact O-C 3.57Å; E131-R134 WeakPolarHBondContact O-CA 3.48Å; E131-R134 PolarHBondContact O-N 3.36Å; E131-R134 IonicContact OE1-NH1 3.15Å; N132-R134 PolarHBondContact O-N 3.43Å
135	A	92.3	Very high	96.4	Very high	38 Å²	38	54.2 Å²	54.2	31%	0.314	26%	0.261	S	S	.	.	S	Bend	trans	-64.1	154.1	-179.2	0	0	0	0	0	110.5	E131 N132 H137 P138	E131-A135 PolarHBondContact O-N 3.42Å; N132-A135 WeakPolarHBondContact O-CB 3.45Å; N132-A135 PolarHBondContact O-N 3.13Å; N132-A135 VanDerWaalsContact O-N 3.13Å; A135-H137 VanDerWaalsContact C-N 3.32Å; A135-P138 HydrophobicContact CB-CG 4.46Å
136	L	92.2	Very high	96.4	Very high	135 Å²	135	54.7 Å²	54.7	71%	0.707	26%	0.263	S	S	*	.	S	Bend	trans	-65.2	-42.9	171.1	-176.5	64.9	0	0	0	110.3
137	H	94.9	Very high	96.3	Very high	105 Å²	105	52.8 Å²	52.8	49%	0.486	26%	0.261	S	S	.	.	S	Bend	trans	-123	88.2	175.5	-56.1	-59.6	0	0	0	109.3	V97 A135	V97-H137 WeakPolarHBondContact O-CA 3.49Å; V97-H137 PolarHBondContact O-ND1 3.03Å; A135-H137 VanDerWaalsContact C-N 3.32Å
138	P	96.6	Very high	96.3	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.045	26%	0.258	C	S	.	.			trans	-61.8	137.4	175	-20.6	32.2	0	0	0	110.8	V96 H98 S99 N132 A135	V96-P138 HydrophobicContact CG1-CG 3.47Å; V96-P138 VanDerWaalsContact CG1-CG 3.47Å; H98-P138 WeakPolarHBondContact CA-O 3.29Å; S99-P138 PolarHBondContact N-O 3.45Å; N132-P138 WeakPolarHBondContact O-CB 3.42Å; N132-P138 WeakPolarHBondContact O-CG 3.43Å; N132-P138 VanDerWaalsContact OD1-CA 3.26Å; N132-P138 WeakPolarHBondContact OD1-CA 3.36Å; A135-P138 HydrophobicContact CB-CG 4.46Å
139	V	97.8	Very high	96.2	Very high	28 Å²	28	48.8 Å²	48.8	17%	0.17	26%	0.255	C	S	.	.			trans	-88.2	159.8	177.1	-60.5	0	0	0	0	110.8	L101 L103 N132 F141	L101-V139 HydrophobicContact CB-CG1 4.33Å; L101-V139 HydrophobicContact CD2-CB 4.28Å; L101-V139 HydrophobicContact CD2-CG1 3.92Å; L101-V139 WeakPolarHBondContact O-CB 3.45Å; L103-V139 HydrophobicContact CB-CB 4.42Å; L103-V139 HydrophobicContact CB-CG2 3.75Å; L103-V139 HydrophobicContact CD2-CG2 4.17Å; N132-V139 PolarHBondContact ND2-O 2.67Å; N132-V139 WeakPolarHBondContact OD1-CG2 3.35Å; N132-V139 PolarHBondContact OD1-N 2.82Å; V139-F141 PolarHBondContact O-N 3.02Å
140	Q	97.6	Very high	96.3	Very high	63 Å²	63	47.2 Å²	47.2	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	100.3	169.4	-51.8	-55.2	-47.6	0	0	108.1	S99 L101 R102 L103 Y142	S99-Q140 PolarHBondContact O-NE2 3.49Å; L101-Q140 PolarHBondContact O-N 2.96Å; R102-Q140 WeakPolarHBondContact CA-O 3.38Å; R102-Q140 HydrophobicContact CG-CB 4.01Å; R102-Q140 HydrophobicContact CG-CG 4.48Å; L103-Q140 PolarHBondContact N-O 3.09Å; Q140-Y142 HydrophobicContact CB-CE2 3.99Å; Q140-Y142 WeakPolarHBondContact O-CD2 3.47Å
141	F	98.4	Very high	96.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.9	-167.6	-169.7	-151.2	0	0	0	111.7	L103 I105 C128 V139 I167 H168	L103-F141 WeakPolarHBondContact O-CD2 3.16Å; I105-F141 HydrophobicContact CD1-CE2 3.63Å; I105-F141 HydrophobicContact CD1-CZ 3.52Å; I105-F141 HydrophobicContact CG1-CE2 3.85Å; I105-F141 HydrophobicContact CG1-CZ 4.26Å; C128-F141 HydrophobicContact CB-CE1 3.97Å; C128-F141 HydrophobicContact CB-CE2 4.42Å; C128-F141 HydrophobicContact CB-CZ 3.51Å; V139-F141 PolarHBondContact O-N 3.02Å; F141-I167 HydrophobicContact CB-CG1 4.37Å; F141-I167 HydrophobicContact CD1-CD1 3.69Å; F141-I167 HydrophobicContact CD1-CG1 3.87Å; F141-I167 HydrophobicContact CE1-CD1 3.85Å; F141-I167 HydrophobicContact CG-CD1 4.46Å; F141-I167 HydrophobicContact CG-CG1 4.26Å; F141-I167 CarbonylContact O-C 3.56Å; F141-I167 WeakPolarHBondContact O-CA 3.46Å; F141-H168 PolarHBondContact O-N 2.8Å
142	Y	98.5	Very high	96.4	Very high	42 Å²	42	52.2 Å²	52.2	17%	0.165	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.7	-175.7	-75.2	-103.3	0	0	0	111.7	R102 L103 I104 I105 Q140 H168	R102-Y142 HydrophobicContact CB-CE2 4.41Å; R102-Y142 HydrophobicContact CG-CE2 4.12Å; L103-Y142 PolarHBondContact O-N 2.79Å; I104-Y142 HydrophobicContact CG1-CD2 4.43Å; I104-Y142 HydrophobicContact CG1-CG 4.17Å; I105-Y142 PolarHBondContact N-O 3.12Å; Q140-Y142 HydrophobicContact CB-CE2 3.99Å; Q140-Y142 WeakPolarHBondContact O-CD2 3.47Å; Y142-H168 CarbonylContact C-O 3.13Å; Y142-H168 WeakPolarHBondContact CA-O 3.22Å; Y142-H168 HydrophobicContact CD1-CB 3.37Å; Y142-H168 AromaticContact CD1-CG 3.98Å; Y142-H168 HydrophobicContact CD2-CB 4.38Å; Y142-H168 AromaticContact CD2-CD2 3.9Å; Y142-H168 HydrophobicContact CE1-CB 3.46Å; Y142-H168 VanDerWaalsContact CE1-CB 3.46Å; Y142-H168 AromaticContact CE1-CD2 3.75Å; Y142-H168 AromaticContact CE1-CG 3.59Å; Y142-H168 HydrophobicContact CE2-CB 4.45Å; Y142-H168 AromaticContact CE2-CD2 3.42Å; Y142-H168 VanDerWaalsContact CE2-CD2 3.42Å; Y142-H168 WeakPolarHBondContact CE2-CD2 3.31Å; Y142-H168 HydrophobicContact CG-CB 3.86Å; Y142-H168 AromaticContact CZ-CD2 3.32Å; Y142-H168 AromaticContact CZ-CG 3.67Å; Y142-H168 AromaticContact CZ-NE2 3.94Å
143	L	98.3	Very high	96.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	103.4	171.5	-162.1	161.4	0	0	0	106.8	C107 I125 H146 H168 I169 K170	C107-L143 HydrophobicContact CB-CD2 4.32Å; C107-L143 WeakPolarHBondContact SG-CD2 3.46Å; I125-L143 HydrophobicContact CD1-CD1 3.95Å; I125-L143 HydrophobicContact CG1-CD1 4.25Å; I125-L143 HydrophobicContact CG2-CD1 3.63Å; L143-H146 HydrophobicContact CD2-CB 3.62Å; L143-H168 PolarHBondContact N-O 3.1Å; L143-I169 HydrophobicContact CB-CG1 4.32Å; L143-I169 HydrophobicContact CD2-CG2 4.48Å; L143-K170 PolarHBondContact O-N 3.42Å
144	T	98.5	Very high	96.5	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	163	-173.8	54.8	0	0	0	0	111.2	I104 I105 C107 H146 K170 L177	I104-T144 HydrophobicContact CG2-CG2 3.69Å; I104-T144 WeakPolarHBondContact CG2-OG1 3.3Å; I105-T144 PolarHBondContact O-N 3.23Å; C107-T144 VanDerWaalsContact CB-O 3.24Å; C107-T144 WeakPolarHBondContact CB-O 3.24Å; C107-T144 PolarHBondContact N-O 3.19Å; C107-T144 VanDerWaalsContact N-O 3.12Å; T144-H146 PolarHBondContact O-N 3.48Å; T144-K170 CarbonylContact C-O 3.54Å; T144-K170 WeakPolarHBondContact CA-O 3.27Å; T144-L177 HydrophobicContact CG2-CD1 3.86Å
145	S	98.2	Very high	96.7	Very high	23 Å²	23	41.8 Å²	41.8	16%	0.161	23%	0.226	C	C	.	.	S	Bend	trans	53.4	34.3	-174.2	-62.7	0	0	0	0	112.8	G147 K170 P171 E172 H173	S145-G147 PolarHBondContact O-N 3.5Å; S145-G147 VanDerWaalsContact O-N 3.09Å; S145-K170 PolarHBondContact N-O 3.05Å; S145-P171 WeakPolarHBondContact CA-O 3.44Å; S145-E172 PolarHBondContact N-O 3.47Å; S145-H173 WeakPolarHBondContact OG-CA 3.46Å; S145-H173 PolarHBondContact OG-CD2 3.2Å
146	H	97.7	Very high	96.8	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.051	24%	0.242	C	C	.	.			trans	-71.1	105.4	-178.1	-178.8	-112.5	0	0	0	111.4	L143 T144 W161 I169 K170	L143-H146 HydrophobicContact CD2-CB 3.62Å; T144-H146 PolarHBondContact O-N 3.48Å; H146-W161 AromaticContact CE1-CH2 3.64Å; H146-W161 AromaticContact CE1-CZ2 3.93Å; H146-W161 AromaticContact CE1-CZ3 3.91Å; H146-I169 HydrophobicContact CB-CG2 3.91Å; H146-I169 WeakPolarHBondContact ND1-CG2 3.45Å; H146-K170 WeakPolarHBondContact CB-O 3.17Å; H146-K170 PolarHBondContact N-O 3.15Å
147	G	96.1	Very high	96.9	Very high	24 Å²	24	43.7 Å²	43.7	25%	0.247	23%	0.228	C	C	.	.			trans	-163.5	-155.2	-179.3	0	0	0	0	0	113	S145 K151	S145-G147 PolarHBondContact O-N 3.5Å; S145-G147 VanDerWaalsContact O-N 3.09Å; G147-K151 WeakPolarHBondContact O-CB 3.43Å; G147-K151 PolarHBondContact O-N 2.79Å
148	G	96.3	Very high	96.7	Very high	47 Å²	47	40.3 Å²	40.3	49%	0.485	21%	0.213	S	C	.	.	H	α-helix	trans	57.1	-140.9	167.2	0	0	0	0	0	115.8	D110 K152	D110-G148 WeakPolarHBondContact OD2-CA 3.22Å; G148-K152 WeakPolarHBondContact O-CG 3.37Å; G148-K152 PolarHBondContact O-N 2.97Å
149	Q	97.2	Very high	96.4	Very high	66 Å²	66	47.8 Å²	47.8	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-69.5	-36.6	179.3	-62.2	179.3	84.6	0	0	111.9	D110 M113 I118 K152 N153	D110-Q149 VanDerWaalsContact CG-N 3.31Å; D110-Q149 PolarHBondContact O-NE2 3.25Å; D110-Q149 WeakPolarHBondContact OD1-CB 3.37Å; D110-Q149 PolarHBondContact OD1-N 3.28Å; D110-Q149 VanDerWaalsContact OD1-N 3.09Å; D110-Q149 PolarHBondContact OD2-N 3.48Å; M113-Q149 PolarHBondContact O-NE2 3.01Å; I118-Q149 HydrophobicContact CD1-CB 4.19Å; I118-Q149 HydrophobicContact CG1-CB 3.92Å; I118-Q149 HydrophobicContact CG2-CB 4.21Å; Q149-K152 PolarHBondContact O-N 2.98Å; Q149-N153 VanDerWaalsContact O-CB 3.29Å; Q149-N153 WeakPolarHBondContact O-CB 3.05Å; Q149-N153 PolarHBondContact O-N 3.49Å
150	L	97.6	Very high	96.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-51.5	178.8	179.1	61.4	0	0	0	111.3	C107 D110 I118 L121 H122 I125 K152 N153 M154	C107-L150 HydrophobicContact CB-CD2 3.91Å; D110-L150 WeakPolarHBondContact OD1-CB 3.44Å; D110-L150 PolarHBondContact OD1-N 3.31Å; I118-L150 HydrophobicContact CG2-CB 4.36Å; I118-L150 HydrophobicContact CG2-CD1 4.4Å; L121-L150 HydrophobicContact CD2-CD1 4.45Å; L121-L150 HydrophobicContact CD2-CD2 4.13Å; L121-L150 HydrophobicContact CG-CD1 4.5Å; H122-L150 HydrophobicContact CB-CD1 4.03Å; I125-L150 HydrophobicContact CD1-CD1 4.1Å; I125-L150 HydrophobicContact CD1-CD2 3.91Å; L150-K152 PolarHBondContact O-N 3.4Å; L150-N153 PolarHBondContact O-N 2.88Å; L150-M154 HydrophobicContact CD1-CG 4.39Å; L150-M154 HydrophobicContact CD1-SD 4.17Å; L150-M154 HydrophobicContact CG-SD 4.14Å; L150-M154 WeakPolarHBondContact O-CG 3.38Å; L150-M154 PolarHBondContact O-N 3.02Å
151	K	97.4	Very high	96	Very high	76 Å²	76	46.3 Å²	46.3	33%	0.33	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-48.5	178.4	178.6	174.6	-171.8	-56.5	0	111.6	G147 N153 M154 D155	G147-K151 WeakPolarHBondContact O-CB 3.43Å; G147-K151 PolarHBondContact O-N 2.79Å; K151-N153 VanDerWaalsContact C-N 3.3Å; K151-N153 PolarHBondContact O-N 3.45Å; K151-M154 PolarHBondContact O-N 3.31Å; K151-M154 VanDerWaalsContact O-N 3.13Å; K151-D155 IonicContact NZ-OD1 3.07Å; K151-D155 IonicContact NZ-OD2 2.59Å; K151-D155 PolarHBondContact NZ-OD2 3.5Å; K151-D155 PolarHBondContact O-N 2.86Å
152	K	97.3	Very high	95.8	Very high	142 Å²	142	50.3 Å²	50.3	62%	0.617	27%	0.268	S	S	*	.	H	α-helix	trans	-57.5	-44.4	177.3	-70.4	177.2	-178.3	179.8	0	111.6	G148 Q149 L150 M154 D155 E156	G148-K152 WeakPolarHBondContact O-CG 3.37Å; G148-K152 PolarHBondContact O-N 2.97Å; Q149-K152 PolarHBondContact O-N 2.98Å; L150-K152 PolarHBondContact O-N 3.4Å; K152-M154 VanDerWaalsContact C-N 3.33Å; K152-M154 PolarHBondContact O-N 3.34Å; K152-D155 PolarHBondContact O-N 3.17Å; K152-E156 WeakPolarHBondContact O-CG 3.48Å; K152-E156 PolarHBondContact O-N 2.85Å
153	N	96.4	Very high	95.6	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.032	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-32.8	178.8	-179.8	77.3	0	0	0	112.7	I118 K119 H122 Q149 L150 K151 N157	I118-N153 HydrophobicContact CG2-CB 4.07Å; K119-N153 WeakPolarHBondContact CG-OD1 3.34Å; H122-N153 WeakPolarHBondContact CB-ND2 3.28Å; H122-N153 PolarHBondContact ND1-ND2 2.9Å; Q149-N153 VanDerWaalsContact O-CB 3.29Å; Q149-N153 WeakPolarHBondContact O-CB 3.05Å; Q149-N153 PolarHBondContact O-N 3.49Å; L150-N153 PolarHBondContact O-N 2.88Å; K151-N153 VanDerWaalsContact C-N 3.3Å; K151-N153 PolarHBondContact O-N 3.45Å; N153-N157 WeakPolarHBondContact O-CB 3.3Å; N153-N157 PolarHBondContact O-N 3.45Å; N153-N157 PolarHBondContact O-ND2 2.74Å; N153-N157 PolarHBondContact OD1-ND2 3.28Å
154	M	96.2	Very high	95.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.5	-45.5	172.3	-70.9	178.9	64.6	0	0	111.6	L150 K151 K152 E156 N157 D158 W161	L150-M154 HydrophobicContact CD1-CG 4.39Å; L150-M154 HydrophobicContact CD1-SD 4.17Å; L150-M154 HydrophobicContact CG-SD 4.14Å; L150-M154 WeakPolarHBondContact O-CG 3.38Å; L150-M154 PolarHBondContact O-N 3.02Å; K151-M154 PolarHBondContact O-N 3.31Å; K151-M154 VanDerWaalsContact O-N 3.13Å; K152-M154 VanDerWaalsContact C-N 3.33Å; K152-M154 PolarHBondContact O-N 3.34Å; M154-E156 VanDerWaalsContact C-N 3.28Å; M154-E156 PolarHBondContact O-N 3.36Å; M154-N157 PolarHBondContact O-N 2.75Å; M154-D158 CarbonylContact O-C 3.45Å; M154-D158 WeakPolarHBondContact O-CA 3.46Å; M154-D158 PolarHBondContact O-N 2.92Å; M154-W161 HydrophobicContact CB-CG 4.22Å; M154-W161 HydrophobicContact CE-CB 3.62Å; M154-W161 HydrophobicContact CE-CD2 4.19Å; M154-W161 HydrophobicContact CE-CE3 4.47Å; M154-W161 HydrophobicContact CE-CG 3.85Å
155	D	95.9	Very high	95.2	Very high	56 Å²	56	62.5 Å²	62.5	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	-58	-38.3	176.5	-72.5	-30.5	0	0	0	112.5	K151 K152 K159 W161	K151-D155 IonicContact NZ-OD1 3.07Å; K151-D155 IonicContact NZ-OD2 2.59Å; K151-D155 PolarHBondContact NZ-OD2 3.5Å; K151-D155 PolarHBondContact O-N 2.86Å; K152-D155 PolarHBondContact O-N 3.17Å; D155-K159 WeakPolarHBondContact O-CG 2.98Å; D155-W161 VanDerWaalsContact OD1-CE2 3.31Å; D155-W161 VanDerWaalsContact OD1-CZ2 3.3Å; D155-W161 WeakPolarHBondContact OD1-CZ2 3.42Å; D155-W161 PolarHBondContact OD1-NE1 3.43Å
156	E	94.4	Very high	94.9	Very high	137 Å²	137	65.5 Å²	65.5	64%	0.64	34%	0.34	S	S	*	.	H	α-helix	trans	-77.5	-44.8	180	-73	173.1	-170.1	0	0	113.4	K152 M154	K152-E156 WeakPolarHBondContact O-CG 3.48Å; K152-E156 PolarHBondContact O-N 2.85Å; M154-E156 VanDerWaalsContact C-N 3.28Å; M154-E156 PolarHBondContact O-N 3.36Å
157	N	92.9	Very high	94.9	Very high	76 Å²	76	66 Å²	66	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-102.2	-21.1	-166.3	-60.3	-80.7	0	0	0	113.4	R58 N153 M154	R58-N157 PolarHBondContact NH1-OD1 3.04Å; N153-N157 WeakPolarHBondContact O-CB 3.3Å; N153-N157 PolarHBondContact O-N 3.45Å; N153-N157 PolarHBondContact O-ND2 2.74Å; N153-N157 PolarHBondContact OD1-ND2 3.28Å; M154-N157 PolarHBondContact O-N 2.75Å
158	D	92.1	Very high	95	Very high	35 Å²	35	68 Å²	68	19%	0.187	35%	0.346	C	S	.	.			trans	-143.3	60.6	-178.1	-162.4	-2.2	0	0	0	112.1	Q126 M154 G160 W161 W164	Q126-D158 PolarHBondContact NE2-OD2 3.19Å; M154-D158 CarbonylContact O-C 3.45Å; M154-D158 WeakPolarHBondContact O-CA 3.46Å; M154-D158 PolarHBondContact O-N 2.92Å; D158-G160 PolarHBondContact O-N 2.86Å; D158-W161 WeakPolarHBondContact O-CB 3.5Å; D158-W161 PolarHBondContact O-N 2.99Å; D158-W164 WeakPolarHBondContact OD2-CZ2 3.47Å
159	K	90.6	Very high	95	Very high	164 Å²	164	67.4 Å²	67.4	71%	0.713	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-49.5	-17.4	177.2	-65.2	-179.3	-178.1	-164.6	0	115	D155 W161	D155-K159 WeakPolarHBondContact O-CG 2.98Å; K159-W161 VanDerWaalsContact C-N 3.28Å
160	G	92.2	Very high	95.1	Very high	30 Å²	30	68.2 Å²	68.2	31%	0.309	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-78.9	-5.1	176.3	0	0	0	0	0	114.4	D158 V162 N163 W164	D158-G160 PolarHBondContact O-N 2.86Å; G160-V162 PolarHBondContact O-N 3.04Å; G160-N163 WeakPolarHBondContact O-CA 3.35Å; G160-N163 WeakPolarHBondContact O-CB 3.49Å; G160-N163 PolarHBondContact O-N 2.9Å; G160-W164 PolarHBondContact O-N 3.18Å
161	W	94.3	Very high	95.1	Very high	30 Å²	30	72.3 Å²	72.3	11%	0.114	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-57	-34.4	-179.3	74.1	-103	0	0	0	112.6	H146 M154 D155 D158 K159 N163 W164 I169	H146-W161 AromaticContact CE1-CH2 3.64Å; H146-W161 AromaticContact CE1-CZ2 3.93Å; H146-W161 AromaticContact CE1-CZ3 3.91Å; M154-W161 HydrophobicContact CB-CG 4.22Å; M154-W161 HydrophobicContact CE-CB 3.62Å; M154-W161 HydrophobicContact CE-CD2 4.19Å; M154-W161 HydrophobicContact CE-CE3 4.47Å; M154-W161 HydrophobicContact CE-CG 3.85Å; D155-W161 VanDerWaalsContact OD1-CE2 3.31Å; D155-W161 VanDerWaalsContact OD1-CZ2 3.3Å; D155-W161 WeakPolarHBondContact OD1-CZ2 3.42Å; D155-W161 PolarHBondContact OD1-NE1 3.43Å; D158-W161 WeakPolarHBondContact O-CB 3.5Å; D158-W161 PolarHBondContact O-N 2.99Å; K159-W161 VanDerWaalsContact C-N 3.28Å; W161-N163 PolarHBondContact O-N 3.26Å; W161-W164 WeakPolarHBondContact O-CB 3.46Å; W161-W164 PolarHBondContact O-N 3.32Å; W161-W164 VanDerWaalsContact O-N 3.15Å; W161-I169 HydrophobicContact CE3-CD1 3.57Å; W161-I169 HydrophobicContact CE3-CG2 4.34Å; W161-I169 HydrophobicContact CZ3-CB 4.34Å; W161-I169 HydrophobicContact CZ3-CD1 4.01Å; W161-I169 HydrophobicContact CZ3-CG2 3.81Å
162	V	93.9	Very high	95.1	Very high	88 Å²	88	72 Å²	72	53%	0.533	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.2	175	-60.3	0	0	0	0	113.5	G160	G160-V162 PolarHBondContact O-N 3.04Å
163	N	94.4	Very high	95.2	Very high	125 Å²	125	67.6 Å²	67.6	67%	0.668	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-104	8.2	-179.1	-60.8	-39.5	0	0	0	112.4	G160 W161 K165	G160-N163 WeakPolarHBondContact O-CA 3.35Å; G160-N163 WeakPolarHBondContact O-CB 3.49Å; G160-N163 PolarHBondContact O-N 2.9Å; W161-N163 PolarHBondContact O-N 3.26Å; N163-K165 PolarHBondContact O-N 2.82Å
164	W	95.3	Very high	95.3	Very high	38 Å²	38	69.4 Å²	69.4	14%	0.144	35%	0.349	C	S	.	.			trans	-64.5	136.3	174.3	-73.6	11.2	0	0	0	109.7	I125 Q126 Y129 D158 G160 W161 I167	I125-W164 HydrophobicContact CG2-CH2 4.21Å; I125-W164 HydrophobicContact CG2-CZ3 3.92Å; Q126-W164 HydrophobicContact CB-CH2 4.47Å; Q126-W164 HydrophobicContact CG-CH2 3.84Å; Q126-W164 HydrophobicContact CG-CZ2 4.03Å; Y129-W164 AromaticContact CD1-CD2 3.74Å; Y129-W164 HydrophobicContact CD1-CD2 3.74Å; Y129-W164 AromaticContact CD1-CE2 3.95Å; Y129-W164 AromaticContact CD1-CE3 3.82Å; Y129-W164 HydrophobicContact CD1-CE3 3.82Å; Y129-W164 HydrophobicContact CD1-CG 4.26Å; Y129-W164 HydrophobicContact CD1-CH2 4.34Å; Y129-W164 HydrophobicContact CD1-CZ2 4.24Å; Y129-W164 HydrophobicContact CD1-CZ3 4.13Å; Y129-W164 HydrophobicContact CD2-CD2 4.19Å; Y129-W164 AromaticContact CD2-CE3 3.76Å; Y129-W164 HydrophobicContact CD2-CE3 3.76Å; Y129-W164 HydrophobicContact CD2-CZ3 4.38Å; Y129-W164 HydrophobicContact CE1-CB 4.28Å; Y129-W164 AromaticContact CE1-CD2 3.74Å; Y129-W164 HydrophobicContact CE1-CD2 3.74Å; Y129-W164 HydrophobicContact CE1-CE3 4.22Å; Y129-W164 AromaticContact CE1-CG 3.75Å; Y129-W164 HydrophobicContact CE1-CG 3.75Å; Y129-W164 HydrophobicContact CE2-CB 3.79Å; Y129-W164 HydrophobicContact CE2-CD2 4.2Å; Y129-W164 HydrophobicContact CE2-CE3 4.17Å; Y129-W164 HydrophobicContact CE2-CG 4.08Å; Y129-W164 AromaticContact CG-CD2 3.97Å; Y129-W164 HydrophobicContact CG-CD2 3.97Å; Y129-W164 AromaticContact CG-CE3 3.57Å; Y129-W164 HydrophobicContact CG-CE3 3.57Å; Y129-W164 HydrophobicContact CG-CH2 4.42Å; Y129-W164 AromaticContact CG-CZ3 3.83Å; Y129-W164 HydrophobicContact CG-CZ3 3.83Å; Y129-W164 AromaticContact CZ-CD2 3.97Å; Y129-W164 AromaticContact CZ-CG 3.65Å; Y129-W164 WeakPolarHBondContact OH-CA 3.39Å; D158-W164 WeakPolarHBondContact OD2-CZ2 3.47Å; G160-W164 PolarHBondContact O-N 3.18Å; W161-W164 WeakPolarHBondContact O-CB 3.46Å; W161-W164 PolarHBondContact O-N 3.32Å; W161-W164 VanDerWaalsContact O-N 3.15Å; W164-I167 HydrophobicContact CB-CG2 3.54Å; W164-I167 HydrophobicContact CE3-CD1 3.89Å; W164-I167 HydrophobicContact CE3-CG2 4.4Å; W164-I167 HydrophobicContact CZ3-CD1 4.23Å
165	K	93.1	Very high	95.3	Very high	135 Å²	135	72.8 Å²	72.8	59%	0.587	37%	0.372	S	S	*	.	S	Bend	trans	-101.3	148.2	-176.4	-65.4	-171.6	177.8	-165.8	0	109.4	Y129 N163 I167	Y129-K165 VanDerWaalsContact CE2-O 3.28Å; Y129-K165 WeakPolarHBondContact CE2-O 3.42Å; Y129-K165 PolarHBondContact OH-N 3.22Å; Y129-K165 VanDerWaalsContact OH-N 3.09Å; N163-K165 PolarHBondContact O-N 2.82Å; K165-I167 VanDerWaalsContact C-N 3.26Å; K165-I167 PolarHBondContact O-N 2.87Å
166	D	92.2	Very high	95.4	Very high	86 Å²	86	76.5 Å²	76.5	46%	0.46	39%	0.388	S	S	.	.	S	Bend	trans	61.8	37.6	175.3	-35.3	-51.1	0	0	0	111.7	R133	R133-D166 IonicContact CZ-OD2 2.74Å; R133-D166 IonicContact NH1-OD2 3.42Å; R133-D166 PolarHBondContact NH1-OD2 3.43Å
167	I	97.2	Very high	95.5	Very high	21 Å²	21	73.1 Å²	73.1	11%	0.108	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.1	172.8	-167.9	174.8	0	0	0	110.2	Y129 F141 W164 K165 I169	Y129-I167 HydrophobicContact CD2-CB 4.4Å; Y129-I167 HydrophobicContact CD2-CD1 4.32Å; Y129-I167 HydrophobicContact CE2-CB 4.46Å; Y129-I167 HydrophobicContact CE2-CG2 4.3Å; F141-I167 HydrophobicContact CB-CG1 4.37Å; F141-I167 HydrophobicContact CD1-CD1 3.69Å; F141-I167 HydrophobicContact CD1-CG1 3.87Å; F141-I167 HydrophobicContact CE1-CD1 3.85Å; F141-I167 HydrophobicContact CG-CD1 4.46Å; F141-I167 HydrophobicContact CG-CG1 4.26Å; F141-I167 CarbonylContact O-C 3.56Å; F141-I167 WeakPolarHBondContact O-CA 3.46Å; W164-I167 HydrophobicContact CB-CG2 3.54Å; W164-I167 HydrophobicContact CE3-CD1 3.89Å; W164-I167 HydrophobicContact CE3-CG2 4.4Å; W164-I167 HydrophobicContact CZ3-CD1 4.23Å; K165-I167 VanDerWaalsContact C-N 3.26Å; K165-I167 PolarHBondContact O-N 2.87Å; I167-I169 HydrophobicContact CD1-CD1 4.39Å; I167-I169 HydrophobicContact CD1-CG1 4.14Å; I167-I169 HydrophobicContact CG1-CG1 4.16Å; I167-I169 HydrophobicContact CG2-CD1 4.22Å; I167-I169 HydrophobicContact CG2-CG1 4.26Å
168	H	97.6	Very high	95.7	Very high	66 Å²	66	70.2 Å²	70.2	31%	0.306	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	102.6	176.9	-59.5	-75.9	0	0	0	110.2	F141 Y142 L143	F141-H168 PolarHBondContact O-N 2.8Å; Y142-H168 CarbonylContact C-O 3.13Å; Y142-H168 WeakPolarHBondContact CA-O 3.22Å; Y142-H168 HydrophobicContact CD1-CB 3.37Å; Y142-H168 AromaticContact CD1-CG 3.98Å; Y142-H168 HydrophobicContact CD2-CB 4.38Å; Y142-H168 AromaticContact CD2-CD2 3.9Å; Y142-H168 HydrophobicContact CE1-CB 3.46Å; Y142-H168 VanDerWaalsContact CE1-CB 3.46Å; Y142-H168 AromaticContact CE1-CD2 3.75Å; Y142-H168 AromaticContact CE1-CG 3.59Å; Y142-H168 HydrophobicContact CE2-CB 4.45Å; Y142-H168 AromaticContact CE2-CD2 3.42Å; Y142-H168 VanDerWaalsContact CE2-CD2 3.42Å; Y142-H168 WeakPolarHBondContact CE2-CD2 3.31Å; Y142-H168 HydrophobicContact CG-CB 3.86Å; Y142-H168 AromaticContact CZ-CD2 3.32Å; Y142-H168 AromaticContact CZ-CG 3.67Å; Y142-H168 AromaticContact CZ-NE2 3.94Å; L143-H168 PolarHBondContact N-O 3.1Å
169	I	97.8	Very high	95.9	Very high	35 Å²	35	75 Å²	75	18%	0.179	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117	178.1	-56.8	172.7	0	0	0	108.3	L143 H146 W161 I167	L143-I169 HydrophobicContact CB-CG1 4.32Å; L143-I169 HydrophobicContact CD2-CG2 4.48Å; H146-I169 HydrophobicContact CB-CG2 3.91Å; H146-I169 WeakPolarHBondContact ND1-CG2 3.45Å; W161-I169 HydrophobicContact CE3-CD1 3.57Å; W161-I169 HydrophobicContact CE3-CG2 4.34Å; W161-I169 HydrophobicContact CZ3-CB 4.34Å; W161-I169 HydrophobicContact CZ3-CD1 4.01Å; W161-I169 HydrophobicContact CZ3-CG2 3.81Å; I167-I169 HydrophobicContact CD1-CD1 4.39Å; I167-I169 HydrophobicContact CD1-CG1 4.14Å; I167-I169 HydrophobicContact CG1-CG1 4.16Å; I167-I169 HydrophobicContact CG2-CD1 4.22Å; I167-I169 HydrophobicContact CG2-CG1 4.26Å
170	K	97.9	Very high	96.2	Very high	84 Å²	84	76.3 Å²	76.3	37%	0.365	38%	0.383	S	S	.	.			trans	-132.9	129.5	-167.8	-69	-62.4	-175	175.4	0	111.2	L143 T144 S145 H146 E172 L177	L143-K170 PolarHBondContact O-N 3.42Å; T144-K170 CarbonylContact C-O 3.54Å; T144-K170 WeakPolarHBondContact CA-O 3.27Å; S145-K170 PolarHBondContact N-O 3.05Å; H146-K170 WeakPolarHBondContact CB-O 3.17Å; H146-K170 PolarHBondContact N-O 3.15Å; K170-E172 VanDerWaalsContact C-N 3.26Å; K170-E172 VanDerWaalsContact CB-OE2 3.31Å; K170-E172 WeakPolarHBondContact CB-OE2 3.34Å; K170-L177 HydrophobicContact CB-CD1 3.78Å; K170-L177 HydrophobicContact CG-CD1 3.93Å
171	P	97.8	Very high	96.5	Very high	89 Å²	89	81.4 Å²	81.4	58%	0.578	40%	0.399	S	S	*	.	S	Bend	trans	-70.9	-22.4	173.4	29.7	-36	0	0	0	112.9	S145	S145-P171 WeakPolarHBondContact CA-O 3.44Å
172	E	98.3	Very high	96.6	Very high	70 Å²	70	81.3 Å²	81.3	33%	0.327	40%	0.401	S	S	.	.	S	Bend	trans	-71.4	152.8	-178.6	-53	83.2	178.8	0	0	111.9	S145 K170 L177	S145-E172 PolarHBondContact N-O 3.47Å; K170-E172 VanDerWaalsContact C-N 3.26Å; K170-E172 VanDerWaalsContact CB-OE2 3.31Å; K170-E172 WeakPolarHBondContact CB-OE2 3.34Å; E172-L177 HydrophobicContact CB-CD1 4.27Å; E172-L177 HydrophobicContact CB-CD2 4.1Å; E172-L177 HydrophobicContact CB-CG 4.16Å; E172-L177 HydrophobicContact CG-CD2 4.45Å
173	H	98.4	Very high	96.8	Very high	49 Å²	49	79 Å²	79	23%	0.227	39%	0.385	C	S	.	.			trans	-72.8	149.6	175.5	-172.8	-105.3	0	0	0	110.9	S145 S175 E176	S145-H173 WeakPolarHBondContact OG-CA 3.46Å; S145-H173 PolarHBondContact OG-CD2 3.2Å; H173-S175 WeakPolarHBondContact ND1-CB 3.5Å; H173-S175 PolarHBondContact ND1-N 2.9Å; H173-S175 PolarHBondContact ND1-OG 3.23Å; H173-S175 PolarHBondContact O-N 3.17Å; H173-S175 VanDerWaalsContact O-N 3.08Å; H173-E176 WeakPolarHBondContact CB-OE1 3.4Å; H173-E176 PolarHBondContact N-OE1 3.38Å; H173-E176 VanDerWaalsContact N-OE1 3.09Å; H173-E176 WeakPolarHBondContact O-CB 3.41Å; H173-E176 PolarHBondContact O-N 3Å
174	Y	98.1	Very high	97	Very high	43 Å²	43	75.9 Å²	75.9	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-28.1	-175.1	63.6	-98.6	0	0	0	113.2	D106 E176 L177 I178 L183 Y185 V204	D106-Y174 HydrophobicContact CB-CD1 4.12Å; D106-Y174 HydrophobicContact CB-CE1 4.2Å; Y174-E176 PolarHBondContact O-N 2.99Å; Y174-L177 PolarHBondContact O-N 2.98Å; Y174-I178 PolarHBondContact O-N 3.2Å; Y174-L183 HydrophobicContact CD2-CD1 3.77Å; Y174-L183 HydrophobicContact CD2-CD2 3.97Å; Y174-L183 HydrophobicContact CE2-CD1 3.97Å; Y174-Y185 HydrophobicContact CE1-CE2 4.31Å; Y174-V204 HydrophobicContact CD1-CG1 4.29Å; Y174-V204 HydrophobicContact CD2-CG2 4.3Å; Y174-V204 HydrophobicContact CE1-CG1 4.3Å; Y174-V204 HydrophobicContact CG-CG2 4.47Å
175	S	97.4	Very high	97.2	Very high	71 Å²	71	78.2 Å²	78.2	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-65.7	-22.5	177.1	62.7	0	0	0	0	114	H173	H173-S175 WeakPolarHBondContact ND1-CB 3.5Å; H173-S175 PolarHBondContact ND1-N 2.9Å; H173-S175 PolarHBondContact ND1-OG 3.23Å; H173-S175 PolarHBondContact O-N 3.17Å; H173-S175 VanDerWaalsContact O-N 3.08Å
176	E	97.4	Very high	97.5	Very high	134 Å²	134	74.9 Å²	74.9	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-85.4	-23	178.8	-60.5	172.4	-113.6	0	0	111.7	H173 Y174	H173-E176 WeakPolarHBondContact CB-OE1 3.4Å; H173-E176 PolarHBondContact N-OE1 3.38Å; H173-E176 VanDerWaalsContact N-OE1 3.09Å; H173-E176 WeakPolarHBondContact O-CB 3.41Å; H173-E176 PolarHBondContact O-N 3Å; Y174-E176 PolarHBondContact O-N 2.99Å
177	L	96.2	Very high	97.7	Very high	67 Å²	67	74.1 Å²	74.1	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-100.3	-30	-172.2	-59.3	173.9	0	0	0	112.7	T144 K170 E172 Y174	T144-L177 HydrophobicContact CG2-CD1 3.86Å; K170-L177 HydrophobicContact CB-CD1 3.78Å; K170-L177 HydrophobicContact CG-CD1 3.93Å; E172-L177 HydrophobicContact CB-CD1 4.27Å; E172-L177 HydrophobicContact CB-CD2 4.1Å; E172-L177 HydrophobicContact CB-CG 4.16Å; E172-L177 HydrophobicContact CG-CD2 4.45Å; Y174-L177 PolarHBondContact O-N 2.98Å
178	I	96.9	Very high	97.8	Very high	14 Å²	14	78.6 Å²	78.6	7%	0.072	40%	0.397	C	S	.	.	S	Bend	trans	-123.5	138.3	-170.6	-49.9	-64.2	0	0	0	109.8	I104 Y174 D182 L183 A202	I104-I178 HydrophobicContact CD1-CG1 3.92Å; Y174-I178 PolarHBondContact O-N 3.2Å; I178-D182 HydrophobicContact CG2-CB 4.17Å; I178-L183 HydrophobicContact CB-CD2 3.93Å; I178-L183 HydrophobicContact CB-CG 4.25Å; I178-L183 HydrophobicContact CG1-CD2 4.47Å; I178-L183 HydrophobicContact CG2-CD2 3.72Å; I178-L183 HydrophobicContact CG2-CG 3.88Å; I178-A202 HydrophobicContact CG2-CB 3.74Å
179	K	97.3	Very high	97.8	Very high	135 Å²	135	82.2 Å²	82.2	59%	0.587	42%	0.419	S	S	*	.			trans	-61.9	137.7	175.6	-63	-176.4	179.2	-178	0	110.6	E181 D182	K179-E181 HydrophobicContact CB-CG 4.15Å; K179-E181 PolarHBondContact O-N 3.34Å; K179-D182 PolarHBondContact O-N 2.92Å
180	K	97.4	Very high	97.8	Very high	192 Å²	192	82.5 Å²	82.5	84%	0.835	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-56.1	-37.4	-178.2	-171.2	177.1	179	-179.3	0	113.6	D182 L183	K180-D182 PolarHBondContact O-N 3.33Å; K180-L183 PolarHBondContact O-N 2.87Å
181	E	97.5	Very high	97.7	Very high	137 Å²	137	84.2 Å²	84.2	64%	0.64	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17	179.8	66.8	-164.3	176.6	0	0	114.3	K179 K201	K179-E181 HydrophobicContact CB-CG 4.15Å; K179-E181 PolarHBondContact O-N 3.34Å; E181-K201 PolarHBondContact O-NZ 3.05Å
182	D	97.6	Very high	97.8	Very high	29 Å²	29	86 Å²	86	16%	0.155	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-93.9	-12.1	178.9	-74.3	-12.8	0	0	0	113.1	R102 I178 K179 K180 K201 A202	R102-D182 IonicContact CZ-OD2 3.77Å; R102-D182 IonicContact NH1-OD2 3.89Å; R102-D182 IonicContact NH2-OD2 3.97Å; R102-D182 PolarHBondContact NH2-OD2 3.47Å; I178-D182 HydrophobicContact CG2-CB 4.17Å; K179-D182 PolarHBondContact O-N 2.92Å; K180-D182 PolarHBondContact O-N 3.33Å; D182-K201 HydrophobicContact CB-CD 4.42Å; D182-K201 WeakPolarHBondContact O-CD 3.45Å; D182-K201 IonicContact OD1-NZ 3.31Å; D182-K201 PolarHBondContact OD1-NZ 3.4Å; D182-A202 PolarHBondContact O-N 3.47Å
183	L	98.3	Very high	97.7	Very high	40 Å²	40	89.2 Å²	89.2	21%	0.209	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.6	-171.9	-71.8	168.1	0	0	0	112.2	I104 Y174 I178 K180 A202 V204	I104-L183 HydrophobicContact CD1-CD2 4.11Å; Y174-L183 HydrophobicContact CD2-CD1 3.77Å; Y174-L183 HydrophobicContact CD2-CD2 3.97Å; Y174-L183 HydrophobicContact CE2-CD1 3.97Å; I178-L183 HydrophobicContact CB-CD2 3.93Å; I178-L183 HydrophobicContact CB-CG 4.25Å; I178-L183 HydrophobicContact CG1-CD2 4.47Å; I178-L183 HydrophobicContact CG2-CD2 3.72Å; I178-L183 HydrophobicContact CG2-CG 3.88Å; K180-L183 PolarHBondContact O-N 2.87Å; L183-A202 WeakPolarHBondContact CA-O 3.34Å; L183-A202 HydrophobicContact CD2-CB 4.09Å; L183-V204 HydrophobicContact CD2-CG2 3.73Å
184	I	98.3	Very high	97.7	Very high	59 Å²	59	91 Å²	91	30%	0.303	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111	171.2	-58.8	173.7	0	0	0	107.8	K201 A202 Y203 V204	I184-K201 HydrophobicContact CD1-CB 3.93Å; I184-K201 HydrophobicContact CD1-CG 3.99Å; I184-A202 PolarHBondContact N-O 3.42Å; I184-Y203 HydrophobicContact CB-CD1 3.87Å; I184-Y203 HydrophobicContact CB-CE1 3.98Å; I184-Y203 HydrophobicContact CD1-CD1 4.4Å; I184-Y203 HydrophobicContact CD1-CE1 3.69Å; I184-Y203 HydrophobicContact CG1-CE1 4.42Å; I184-Y203 HydrophobicContact CG2-CD1 3.9Å; I184-Y203 HydrophobicContact CG2-CE1 3.88Å; I184-Y203 CarbonylContact O-C 3.46Å; I184-Y203 WeakPolarHBondContact O-CA 3.39Å; I184-V204 PolarHBondContact O-N 3.23Å
185	Y	98.5	Very high	97.7	Very high	87 Å²	87	98.1 Å²	98.1	34%	0.341	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.9	177.9	-151.6	-56	0	0	0	110.2	Y174 T187 V204 I205	Y174-Y185 HydrophobicContact CE1-CE2 4.31Å; Y185-T187 PolarHBondContact O-N 2.99Å; Y185-V204 HydrophobicContact CD2-CB 4.08Å; Y185-V204 HydrophobicContact CD2-CG1 4Å; Y185-V204 HydrophobicContact CE1-CG1 4.39Å; Y185-V204 HydrophobicContact CE2-CB 4.3Å; Y185-V204 HydrophobicContact CE2-CG1 3.71Å; Y185-V204 HydrophobicContact CG-CB 4.21Å; Y185-V204 HydrophobicContact CG-CG1 4.47Å; Y185-I205 PolarHBondContact OH-OXT 3.08Å
186	L	98.5	Very high	97.7	Very high	65 Å²	65	102.7 Å²	102.7	34%	0.34	52%	0.522	S	S	.	.			trans	-83	105	175.8	-60.4	177.9	0	0	0	109.7	L194 Y203 V204 I205	L186-L194 HydrophobicContact CD2-CD2 3.84Å; L186-Y203 HydrophobicContact CD1-CD1 4.46Å; L186-Y203 HydrophobicContact CD2-CD1 3.9Å; L186-Y203 HydrophobicContact CG-CD1 4.27Å; L186-V204 VanDerWaalsContact CB-O 3.31Å; L186-V204 WeakPolarHBondContact CB-O 3.35Å; L186-V204 PolarHBondContact N-O 3Å; L186-I205 HydrophobicContact CD1-CG1 4.1Å
187	T	98.1	Very high	97.7	Very high	70 Å²	70	101.7 Å²	101.7	43%	0.429	52%	0.521	S	S	.	.			trans	-135.1	143	176	177.7	0	0	0	0	110.7	Y185 D189 S190	Y185-T187 PolarHBondContact O-N 2.99Å; T187-D189 PolarHBondContact O-N 2.9Å; T187-D189 PolarHBondContact OG1-N 3.23Å; T187-S190 PolarHBondContact O-N 2.97Å
188	S	98.1	Very high	97.7	Very high	115 Å²	115	101.8 Å²	101.8	80%	0.804	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.8	176.5	50.7	0	0	0	0	113.2	S190	S188-S190 VanDerWaalsContact C-N 3.3Å
189	D	97.7	Very high	97.7	Very high	142 Å²	142	106 Å²	106	76%	0.759	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0	-175.2	-53.2	-39.6	0	0	0	112.4	T187	T187-D189 PolarHBondContact O-N 2.9Å; T187-D189 PolarHBondContact OG1-N 3.23Å
190	S	97.6	Very high	97.8	Very high	41 Å²	41	103.3 Å²	103.3	29%	0.287	54%	0.539	S	S	.	.			trans	-70.7	133.2	177.8	170.5	0	0	0	0	110.9	T187 S188 N192	T187-S190 PolarHBondContact O-N 2.97Å; S188-S190 VanDerWaalsContact C-N 3.3Å; S190-N192 PolarHBondContact O-N 2.96Å; S190-N192 PolarHBondContact OG-N 3.04Å; S190-N192 VanDerWaalsContact OG-N 3.09Å; S190-N192 PolarHBondContact OG-O 3.07Å
191	P	97.3	Very high	97.8	Very high	119 Å²	119	96.6 Å²	96.6	77%	0.773	51%	0.51	S	S	*	.	S	Bend	trans	-72.2	-13.9	172	31.4	-35.6	0	0	0	112.7
192	N	97.9	Very high	97.8	Very high	126 Å²	126	90.1 Å²	90.1	67%	0.674	48%	0.479	S	S	*	.	S	Bend	trans	-88.5	126.9	-176.4	-55.2	-57.3	0	0	0	111	S190	S190-N192 PolarHBondContact O-N 2.96Å; S190-N192 PolarHBondContact OG-N 3.04Å; S190-N192 VanDerWaalsContact OG-N 3.09Å; S190-N192 PolarHBondContact OG-O 3.07Å
193	I	97.7	Very high	97.9	Very high	138 Å²	138	89 Å²	89	71%	0.708	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-90.9	119.6	177.4	-53.4	-57.4	0	0	0	110.3	K195	I193-K195 PolarHBondContact O-N 2.93Å
194	L	97.8	Very high	97.9	Very high	87 Å²	87	87.1 Å²	87.1	46%	0.455	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-74	117.9	173.9	-172.1	67.4	0	0	0	109.9	L186 E196 L197 Y203	L186-L194 HydrophobicContact CD2-CD2 3.84Å; L194-E196 WeakPolarHBondContact CD1-O 3.34Å; L194-L197 HydrophobicContact CD2-CD2 3.79Å; L194-Y203 HydrophobicContact CD1-CE1 4Å; L194-Y203 HydrophobicContact CD2-CE1 4.17Å
195	K	97.4	Very high	97.9	Very high	192 Å²	192	89 Å²	89	84%	0.835	47%	0.473	S	S	*	.			trans	-98.9	-41.2	-179.7	-63.3	-177	-178.8	178.7	0	112.7	I193	I193-K195 PolarHBondContact O-N 2.93Å
196	E	97.4	Very high	97.9	Very high	168 Å²	168	89.1 Å²	89.1	79%	0.785	48%	0.479	S	S	*	.	S	Bend	trans	-138.5	157.2	-177.4	-66.7	-176.8	177.4	0	0	110.3	L194	L194-E196 WeakPolarHBondContact CD1-O 3.34Å
197	L	97.7	Very high	97.8	Very high	113 Å²	113	90.4 Å²	90.4	59%	0.592	49%	0.487	S	S	*	.			trans	-99.1	122.6	176.5	-66.9	176.1	0	0	0	109.9	L101 L194 Y203	L101-L197 HydrophobicContact CD1-CB 3.97Å; L101-L197 HydrophobicContact CD1-CD1 4.42Å; L194-L197 HydrophobicContact CD2-CD2 3.79Å; L197-Y203 WeakPolarHBondContact CA-OH 3.1Å; L197-Y203 HydrophobicContact CD2-CD1 4.37Å; L197-Y203 HydrophobicContact CD2-CE1 3.85Å; L197-Y203 HydrophobicContact CD2-CE2 4.1Å
198	D	97.5	Very high	97.8	Very high	69 Å²	69	91.5 Å²	91.5	37%	0.369	49%	0.49	S	S	.	.			trans	-88.5	113	172.2	-179.8	-8.1	0	0	0	109.2	S200 K201 Y203	D198-S200 PolarHBondContact O-N 3.02Å; D198-S200 VanDerWaalsContact O-N 3.12Å; D198-S200 VanDerWaalsContact OD1-CB 3.26Å; D198-S200 WeakPolarHBondContact OD1-CB 3.38Å; D198-S200 PolarHBondContact OD1-N 3.25Å; D198-S200 PolarHBondContact OD1-OG 2.86Å; D198-K201 HydrophobicContact CB-CB 4.31Å; D198-K201 HydrophobicContact CB-CG 3.81Å; D198-K201 PolarHBondContact O-N 3.25Å; D198-K201 WeakPolarHBondContact OD2-CG 3.47Å; D198-Y203 PolarHBondContact N-OH 3.23Å; D198-Y203 WeakPolarHBondContact O-CE2 3.46Å
199	E	97.1	Very high	97.8	Very high	103 Å²	103	90.1 Å²	90.1	48%	0.481	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.4	-178.7	-60.6	-164.7	-146.4	0	0	114.2	S99 T100 L101	S99-E199 WeakPolarHBondContact CB-OE2 3.46Å; S99-E199 PolarHBondContact OG-OE2 3.26Å; T100-E199 CarbonylContact C-O 3.57Å; T100-E199 WeakPolarHBondContact OG1-CB 3.45Å; T100-E199 PolarHBondContact OG1-O 3.13Å; L101-E199 VanDerWaalsContact CA-O 3.27Å; L101-E199 WeakPolarHBondContact CA-O 3.46Å; L101-E199 HydrophobicContact CB-CB 4.39Å; L101-E199 PolarHBondContact N-O 2.96Å; L101-E199 VanDerWaalsContact N-O 3.07Å
200	S	97.4	Very high	97.8	Very high	77 Å²	77	86.9 Å²	86.9	54%	0.538	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-19.5	174.6	-47.4	0	0	0	0	112.1	R102 D198	R102-S200 PolarHBondContact NH2-O 3.07Å; D198-S200 PolarHBondContact O-N 3.02Å; D198-S200 VanDerWaalsContact O-N 3.12Å; D198-S200 VanDerWaalsContact OD1-CB 3.26Å; D198-S200 WeakPolarHBondContact OD1-CB 3.38Å; D198-S200 PolarHBondContact OD1-N 3.25Å; D198-S200 PolarHBondContact OD1-OG 2.86Å
201	K	98.2	Very high	97.8	Very high	52 Å²	52	89.9 Å²	89.9	23%	0.226	47%	0.465	C	S	.	.	S	Bend	trans	-90.7	168.3	-172.4	-63.5	-67.2	176	-169.3	0	113.1	R102 E181 D182 I184 D198 Y203	R102-K201 PolarHBondContact N-O 2.88Å; E181-K201 PolarHBondContact O-NZ 3.05Å; D182-K201 HydrophobicContact CB-CD 4.42Å; D182-K201 WeakPolarHBondContact O-CD 3.45Å; D182-K201 IonicContact OD1-NZ 3.31Å; D182-K201 PolarHBondContact OD1-NZ 3.4Å; I184-K201 HydrophobicContact CD1-CB 3.93Å; I184-K201 HydrophobicContact CD1-CG 3.99Å; D198-K201 HydrophobicContact CB-CB 4.31Å; D198-K201 HydrophobicContact CB-CG 3.81Å; D198-K201 PolarHBondContact O-N 3.25Å; D198-K201 WeakPolarHBondContact OD2-CG 3.47Å; K201-Y203 HydrophobicContact CB-CE2 4.01Å
202	A	98.4	Very high	97.9	Very high	0 Å²	0	87.9 Å²	87.9	0%	0	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.3	177.9	0	0	0	0	0	110.1	R102 I104 I178 D182 L183 I184	R102-A202 HydrophobicContact CB-CB 3.88Å; R102-A202 CarbonylContact O-C 3.53Å; R102-A202 WeakPolarHBondContact O-CA 3.39Å; I104-A202 HydrophobicContact CD1-CB 3.93Å; I178-A202 HydrophobicContact CG2-CB 3.74Å; D182-A202 PolarHBondContact O-N 3.47Å; L183-A202 WeakPolarHBondContact CA-O 3.34Å; L183-A202 HydrophobicContact CD2-CB 4.09Å; I184-A202 PolarHBondContact N-O 3.42Å
203	Y	98.6	Very high	97.9	Very high	5 Å²	5	84.9 Å²	84.9	2%	0.02	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.8	-179.3	-66.5	-90.5	0	0	0	110.1	L101 R102 L103 I104 I184 L186 L194 L197 D198 K201	L101-Y203 HydrophobicContact CD1-CD2 3.79Å; L101-Y203 HydrophobicContact CD1-CE2 3.59Å; L101-Y203 HydrophobicContact CD2-CD2 3.93Å; L101-Y203 HydrophobicContact CG-CD2 3.86Å; L101-Y203 HydrophobicContact CG-CE2 4.04Å; R102-Y203 PolarHBondContact O-N 2.96Å; L103-Y203 WeakPolarHBondContact CA-O 3.49Å; I104-Y203 PolarHBondContact N-O 3.44Å; I184-Y203 HydrophobicContact CB-CD1 3.87Å; I184-Y203 HydrophobicContact CB-CE1 3.98Å; I184-Y203 HydrophobicContact CD1-CD1 4.4Å; I184-Y203 HydrophobicContact CD1-CE1 3.69Å; I184-Y203 HydrophobicContact CG1-CE1 4.42Å; I184-Y203 HydrophobicContact CG2-CD1 3.9Å; I184-Y203 HydrophobicContact CG2-CE1 3.88Å; I184-Y203 CarbonylContact O-C 3.46Å; I184-Y203 WeakPolarHBondContact O-CA 3.39Å; L186-Y203 HydrophobicContact CD1-CD1 4.46Å; L186-Y203 HydrophobicContact CD2-CD1 3.9Å; L186-Y203 HydrophobicContact CG-CD1 4.27Å; L194-Y203 HydrophobicContact CD1-CE1 4Å; L194-Y203 HydrophobicContact CD2-CE1 4.17Å; L197-Y203 WeakPolarHBondContact CA-OH 3.1Å; L197-Y203 HydrophobicContact CD2-CD1 4.37Å; L197-Y203 HydrophobicContact CD2-CE1 3.85Å; L197-Y203 HydrophobicContact CD2-CE2 4.1Å; D198-Y203 PolarHBondContact N-OH 3.23Å; D198-Y203 WeakPolarHBondContact O-CE2 3.46Å; K201-Y203 HydrophobicContact CB-CE2 4.01Å
204	V	98.7	Very high	97.9	Very high	1 Å²	1	80.5 Å²	80.5	1%	0.006	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.8	179.7	-172	0	0	0	0	109.6	I104 D106 Y174 L183 I184 Y185 L186	I104-V204 HydrophobicContact CB-CG2 4.29Å; I104-V204 HydrophobicContact CD1-CG2 4.04Å; I104-V204 HydrophobicContact CG2-CG1 4.48Å; I104-V204 CarbonylContact O-C 3.52Å; I104-V204 WeakPolarHBondContact O-CA 3.48Å; D106-V204 HydrophobicContact CB-CG1 3.83Å; Y174-V204 HydrophobicContact CD1-CG1 4.29Å; Y174-V204 HydrophobicContact CD2-CG2 4.3Å; Y174-V204 HydrophobicContact CE1-CG1 4.3Å; Y174-V204 HydrophobicContact CG-CG2 4.47Å; L183-V204 HydrophobicContact CD2-CG2 3.73Å; I184-V204 PolarHBondContact O-N 3.23Å; Y185-V204 HydrophobicContact CD2-CB 4.08Å; Y185-V204 HydrophobicContact CD2-CG1 4Å; Y185-V204 HydrophobicContact CE1-CG1 4.39Å; Y185-V204 HydrophobicContact CE2-CB 4.3Å; Y185-V204 HydrophobicContact CE2-CG1 3.71Å; Y185-V204 HydrophobicContact CG-CB 4.21Å; Y185-V204 HydrophobicContact CG-CG1 4.47Å; L186-V204 VanDerWaalsContact CB-O 3.31Å; L186-V204 WeakPolarHBondContact CB-O 3.35Å; L186-V204 PolarHBondContact N-O 3Å
205	I	98.3	Very high	97.9	Very high	99 Å²	99	79.9 Å²	79.9	51%	0.508	40%	0.396	S	S	.	.			trans	-107.2	0	171.1	-57.4	173.8	0	0	0	108	L103 I104 D106 Y185 L186	L103-I205 HydrophobicContact CD1-CD1 3.96Å; L103-I205 HydrophobicContact CD1-CG1 4.21Å; L103-I205 HydrophobicContact CD2-CD1 4.22Å; L103-I205 HydrophobicContact CG-CD1 4.19Å; I104-I205 PolarHBondContact O-N 2.98Å; D106-I205 PolarHBondContact N-O 3.16Å; Y185-I205 PolarHBondContact OH-OXT 3.08Å; L186-I205 HydrophobicContact CD1-CG1 4.1Å

Retrieved 205 of 205 residues in 52.4 ms (Link to these results)

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