A0A077Z9D1_TRITR Loading...

Krueppel factor 5

AlphaFold DB , UniProt , Accession A0A077Z9D1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	38.6	Very low	238 Å²	238	132.9 Å²	132.9	100%	1.172	86%	0.859	S	S	*	*				0	108	0	-76.1	173.6	170	0	0	107.1
2	E	38.7	Very low	38.2	Very low	176 Å²	176	135.9 Å²	135.9	82%	0.822	85%	0.853	S	S	*	*			trans	54.2	96.5	150	-49.6	-66.5	90.3	0	0	118.7
3	V	33.7	Very low	37.4	Very low	139 Å²	139	133.2 Å²	133.2	84%	0.842	85%	0.851	S	S	*	*			trans	-66.5	142.9	151.5	-98.6	0	0	0	0	110
4	S	40.2	Very low	37.1	Very low	119 Å²	119	134.8 Å²	134.8	83%	0.832	85%	0.848	S	S	*	*			trans	-138.1	107.8	167	-71.6	0	0	0	0	110
5	V	38.4	Very low	36.7	Very low	139 Å²	139	134.2 Å²	134.2	84%	0.842	85%	0.849	S	S	*	*			trans	-94.7	117.8	174.8	178	0	0	0	0	107.3
6	S	45.8	Very low	36.7	Very low	120 Å²	120	133.7 Å²	133.7	84%	0.839	85%	0.847	S	S	*	*			trans	-90	113.2	173.5	54.2	0	0	0	0	110.1
7	G	36.5	Very low	36.1	Very low	77 Å²	77	134.5 Å²	134.5	79%	0.794	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-72.9	144	179.7	0	0	0	0	0	114
8	A	40	Very low	35.8	Very low	106 Å²	106	135.2 Å²	135.2	88%	0.876	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-95.1	120.6	166	0	0	0	0	0	109.2
9	A	39.5	Very low	35.5	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-76.3	134.8	-178.5	0	0	0	0	0	112.3
10	V	28.6	Very low	35.2	Very low	140 Å²	140	132.5 Å²	132.5	85%	0.848	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-66.7	119.6	170	175.4	0	0	0	0	109.5
11	S	40.5	Very low	34.8	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	83%	0.828	S	S	*	*			trans	-114.9	94	173	-65.7	0	0	0	0	111
12	Q	34	Very low	34.5	Very low	169 Å²	169	136.4 Å²	136.4	79%	0.79	82%	0.816	S	S	*	*			trans	26.4	120.9	139.5	-60.5	176.5	12.7	0	0	119.3
13	A	28	Very low	34.1	Very low	100 Å²	100	139.2 Å²	139.2	83%	0.826	82%	0.819	S	S	*	*			trans	-64.5	130.1	166	0	0	0	0	0	112.3
14	L	32.4	Very low	34	Very low	156 Å²	156	144.6 Å²	144.6	82%	0.817	82%	0.824	S	S	*	*			trans	-132.4	105.1	156.6	-81.8	98	0	0	0	108.5
15	C	31.5	Very low	33.7	Very low	126 Å²	126	148.1 Å²	148.1	85%	0.851	83%	0.825	S	S	*	*			trans	-87.9	121.3	163.4	-68.8	0	0	0	0	109	N17	C15-N17 PolarHBondContact O-N 3.48Å
16	P	36.3	Very low	33.3	Very low	126 Å²	126	147.7 Å²	147.7	82%	0.818	83%	0.825	S	S	*	*			trans	-80.3	115.7	170.1	30	-28.7	0	0	0	110.9
17	N	26.3	Very low	32.9	Very low	148 Å²	148	152 Å²	152	79%	0.791	82%	0.823	S	S	*	*			trans	-30.5	127.8	148.6	-171.5	-3	0	0	0	113.8	C15	C15-N17 PolarHBondContact O-N 3.48Å
18	V	31.2	Very low	32.8	Very low	147 Å²	147	157.8 Å²	157.8	89%	0.891	83%	0.826	S	S	*	*			trans	179.2	129.7	143	179.3	0	0	0	0	106.9
19	G	29.7	Very low	32.3	Very low	54 Å²	54	158.1 Å²	158.1	56%	0.557	82%	0.819	S	S	*	*			cis	-169.6	145.6	10.3	0	0	0	0	0	114.6
20	H	30.6	Very low	32.2	Very low	162 Å²	162	158.7 Å²	158.7	75%	0.75	82%	0.815	S	S	*	*			trans	53.6	99	138.7	-73.1	-80.2	0	0	0	121.4
21	Y	26.6	Very low	32.3	Very low	218 Å²	218	161.3 Å²	161.3	86%	0.855	82%	0.815	S	S	*	*				19.4	106.3	112.7	-76	-93.7	0	0	0	116.7	R23	Y21-R23 PolarHBondContact O-N 3.36Å
22	Y	35.1	Very low	31.9	Very low	235 Å²	235	161.5 Å²	161.5	92%	0.922	81%	0.814	S	S	*	*			trans	-90.1	102.3	156.4	-82.9	-82.2	0	0	0	110.4
23	R	31.7	Very low	31.7	Very low	234 Å²	234	160.3 Å²	160.3	88%	0.883	82%	0.818	S	S	*	*			trans	-47.2	131.7	168.9	-87.6	-173.4	177.7	-144.2	2.3	111	Y21 K25	Y21-R23 PolarHBondContact O-N 3.36Å; R23-K25 PolarHBondContact O-N 3.05Å; R23-K25 VanDerWaalsContact O-N 3.11Å
24	R	30.9	Very low	31.8	Very low	252 Å²	252	167 Å²	167	95%	0.951	82%	0.821	S	S	*	*			trans	-60.7	108.5	162.9	-66.6	-175.5	176.2	-161.6	0.4	109
25	K	33.8	Very low	31.5	Very low	193 Å²	193	170.2 Å²	170.2	84%	0.839	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-78.3	133.5	162.4	-77.6	-174.4	178.3	-179.4	0	108.9	R23 R27	R23-K25 PolarHBondContact O-N 3.05Å; R23-K25 VanDerWaalsContact O-N 3.11Å; K25-R27 PolarHBondContact O-N 3.17Å
26	P	31.2	Very low	31.6	Very low	131 Å²	131	170.9 Å²	170.9	85%	0.851	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.7	129.2	174.5	29.9	-31.1	0	0	0	109
27	R	36	Very low	31.1	Very low	211 Å²	211	171.2 Å²	171.2	80%	0.796	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87	116.8	175.3	-71.7	-170	174.2	-135.1	-3.1	109.6	K25	K25-R27 PolarHBondContact O-N 3.17Å
28	K	34.7	Very low	31.4	Very low	198 Å²	198	170.3 Å²	170.3	86%	0.861	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.3	145	155.6	-77.1	-179.2	175.4	-178.3	0	108.9
29	P	29.2	Very low	31.1	Very low	113 Å²	113	168.6 Å²	168.6	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.8	152.2	177.1	35.8	-31	0	0	0	111
30	P	38	Very low	31.3	Very low	107 Å²	107	171.8 Å²	171.8	70%	0.695	82%	0.822	S	S	*	*			trans	-130	112.2	144.6	31.2	-15.9	0	0	0	109.8
31	F	31.2	Very low	31.4	Very low	195 Å²	195	170.5 Å²	170.5	86%	0.855	83%	0.825	S	S	*	*				99.4	155.4	94.6	-81.1	-52.5	0	0	0	112.1
32	P	31.5	Very low	31.8	Very low	117 Å²	117	165.7 Å²	165.7	76%	0.76	82%	0.821	S	S	*	*				-100.8	153	-123.1	24.1	-9.2	0	0	0	114.8	R34	P32-R34 PolarHBondContact O-N 3.49Å
33	V	29.4	Very low	31.7	Very low	144 Å²	144	162.7 Å²	162.7	87%	0.873	82%	0.82	S	S	*	*			trans	-73.8	112.1	172.5	-173.1	0	0	0	0	109.2
34	R	31.2	Very low	31.6	Very low	239 Å²	239	156.3 Å²	156.3	90%	0.902	82%	0.817	S	S	*	*			trans	-84.9	115.1	167	-122.8	-179.2	179.2	-163.2	-0.6	108.8	P32	P32-R34 PolarHBondContact O-N 3.49Å
35	R	26.4	Very low	31.8	Very low	224 Å²	224	149.1 Å²	149.1	85%	0.845	81%	0.812	S	S	*	*			trans	-72	135.3	165.5	-78.9	177.2	173.2	163.6	-3	109.1
36	V	31.9	Very low	31.4	Very low	141 Å²	141	147.3 Å²	147.3	86%	0.855	81%	0.811	S	S	*	*			trans	-124.8	123.4	150.4	179.2	0	0	0	0	107.3
37	I	26.2	Very low	31.4	Very low	132 Å²	132	149.3 Å²	149.3	68%	0.677	81%	0.809	S	S	*	*			trans	-88.6	135.2	178.1	-61	162.8	0	0	0	106.1
38	T	32.9	Very low	31.4	Very low	130 Å²	130	144.2 Å²	144.2	80%	0.798	81%	0.806	S	S	*	*				168	121	121.4	39.3	0	0	0	0	110.2
39	S	24.1	Very low	31.3	Very low	111 Å²	111	143.9 Å²	143.9	78%	0.776	81%	0.805	S	S	*	*			trans	-68	159.4	160.8	41.6	0	0	0	0	110.4
40	P	35.2	Very low	31.5	Very low	121 Å²	121	144.9 Å²	144.9	79%	0.786	81%	0.809	S	S	*	*				-135.2	147.5	104.1	25.7	-7.7	0	0	0	115.1
41	T	32.4	Very low	31	Very low	134 Å²	134	144.7 Å²	144.7	82%	0.822	80%	0.802	S	S	*	*			trans	-23.3	155.7	167	-7.5	0	0	0	0	119.2
42	P	34.1	Very low	30.7	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	78%	0.782	S	S	*	*			trans	-106.2	157.4	-155.4	39.3	-28.1	0	0	0	114.4
43	L	33.7	Very low	30.7	Very low	173 Å²	173	138.7 Å²	138.7	91%	0.906	78%	0.784	S	S	*	*			trans	-136.3	116.1	165.8	-92.6	156.8	0	0	0	109.4
44	A	29.7	Very low	30.8	Very low	99 Å²	99	136 Å²	136	82%	0.818	77%	0.771	S	S	*	*			trans	32.7	106.4	154.7	0	0	0	0	0	119.1
45	A	34.3	Very low	30.8	Very low	102 Å²	102	128 Å²	128	84%	0.843	75%	0.747	S	S	*	*			trans	-152.3	131	141.3	0	0	0	0	0	108.7
46	D	26.1	Very low	31	Very low	154 Å²	154	121 Å²	121	82%	0.824	73%	0.731	S	S	*	*			trans	-55.4	174.4	165.6	-141.8	-53.2	0	0	0	110.7
47	E	32	Very low	31.2	Very low	174 Å²	174	120.8 Å²	120.8	81%	0.813	73%	0.725	S	S	*	*			trans	99	136.1	165.3	-49.1	-167.3	108.7	0	0	120.5
48	S	34.7	Very low	31.7	Very low	103 Å²	103	121 Å²	121	72%	0.72	73%	0.727	S	S	*	*			trans	86.3	90	149.8	6.9	0	0	0	0	118.8	T50	S48-T50 PolarHBondContact O-N 3.15Å; S48-T50 VanDerWaalsContact O-N 3.15Å
49	K	33.1	Very low	31.8	Very low	192 Å²	192	120 Å²	120	84%	0.835	71%	0.713	S	S	*	*			trans	-44.4	113.8	146.9	-76.8	169.7	176.1	172	0	109.8	N51	K49-N51 PolarHBondContact O-N 3.12Å; K49-N51 VanDerWaalsContact O-N 3.09Å
50	T	32.6	Very low	32.5	Very low	134 Å²	134	119 Å²	119	82%	0.822	70%	0.698	S	S	*	*			trans	-76.1	92.7	167.6	54.2	0	0	0	0	108.6	S48	S48-T50 PolarHBondContact O-N 3.15Å; S48-T50 VanDerWaalsContact O-N 3.15Å
51	N	28.2	Very low	32.8	Very low	102 Å²	102	117.3 Å²	117.3	55%	0.545	69%	0.69	S	S	.	*			trans	-68.8	131.5	171.2	-72.3	-23.1	0	0	0	109.5	K49 D55	K49-N51 PolarHBondContact O-N 3.12Å; K49-N51 VanDerWaalsContact O-N 3.09Å; N51-D55 HydrophobicContact CB-CB 4.09Å
52	S	26.2	Very low	32.9	Very low	64 Å²	64	114.3 Å²	114.3	45%	0.448	67%	0.674	S	S	.	*			trans	-72.6	156	175	-72.2	0	0	0	0	109.7	S54 D55	S52-S54 PolarHBondContact O-N 2.74Å; S52-D55 PolarHBondContact N-OD2 3.1Å; S52-D55 WeakPolarHBondContact O-CB 3.41Å; S52-D55 PolarHBondContact O-N 3.07Å
53	P	29.6	Very low	33.2	Very low	122 Å²	122	111.5 Å²	111.5	79%	0.792	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-13.1	-179.3	-22	31.8	0	0	0	114.8
54	S	32.8	Very low	33.6	Very low	88 Å²	88	109.9 Å²	109.9	62%	0.615	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-20.1	173.2	37	0	0	0	0	114.1	S52 C56	S52-S54 PolarHBondContact O-N 2.74Å; S54-C56 VanDerWaalsContact C-N 3.32Å
55	D	30.2	Very low	34.5	Very low	71 Å²	71	110.9 Å²	110.9	38%	0.38	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-82.2	-13.3	178.5	-55.8	-35.9	0	0	0	111.7	N51 S52 L57 D58	N51-D55 HydrophobicContact CB-CB 4.09Å; S52-D55 PolarHBondContact N-OD2 3.1Å; S52-D55 WeakPolarHBondContact O-CB 3.41Å; S52-D55 PolarHBondContact O-N 3.07Å; D55-L57 PolarHBondContact O-N 3.15Å; D55-D58 PolarHBondContact O-N 3.06Å
56	C	31.1	Very low	34.8	Very low	77 Å²	77	108.2 Å²	108.2	52%	0.52	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-71.3	-8.7	179.6	-69.1	0	0	0	0	114.6	S54	S54-C56 VanDerWaalsContact C-N 3.32Å
57	L	36.6	Very low	36.1	Very low	137 Å²	137	108.1 Å²	108.1	72%	0.717	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-82.3	-21	176.1	-71.7	173	0	0	0	113	D55 L60	D55-L57 PolarHBondContact O-N 3.15Å; L57-L60 HydrophobicContact CD2-CD1 4.48Å
58	D	37.1	Very low	37.1	Very low	135 Å²	135	101.9 Å²	101.9	72%	0.722	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-85.4	-18.8	176	-72.6	-45.8	0	0	0	112.8	D55 L60 S61	D55-D58 PolarHBondContact O-N 3.06Å; D58-L60 PolarHBondContact O-N 3.02Å; D58-S61 PolarHBondContact O-N 2.72Å; D58-S61 PolarHBondContact O-OG 3.12Å
59	E	34.6	Very low	38	Very low	111 Å²	111	102 Å²	102	52%	0.519	60%	0.597	S	S	.	*	G	3₁₀ helix	trans	-71.7	-7.1	173	-74	-78.6	136.9	0	0	113.3	S61 C62 C63	E59-S61 PolarHBondContact O-N 3.4Å; E59-S61 VanDerWaalsContact O-N 3.15Å; E59-C62 WeakPolarHBondContact O-CA 3.25Å; E59-C62 VanDerWaalsContact O-CB 3.24Å; E59-C62 WeakPolarHBondContact O-CB 3.42Å; E59-C62 PolarHBondContact O-N 3.09Å; E59-C63 PolarHBondContact O-N 2.82Å
60	L	39.3	Very low	38.9	Very low	88 Å²	88	96.9 Å²	96.9	46%	0.461	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-64	-15.5	171.4	-93.6	88.5	0	0	0	113	L57 D58 C62	L57-L60 HydrophobicContact CD2-CD1 4.48Å; D58-L60 PolarHBondContact O-N 3.02Å; L60-C62 VanDerWaalsContact C-N 3.32Å
61	S	40	Very low	39.8	Very low	86 Å²	86	91 Å²	91	60%	0.601	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-70.7	-28.6	168.6	74.5	0	0	0	0	112.5	D58 E59 Q64	D58-S61 PolarHBondContact O-N 2.72Å; D58-S61 PolarHBondContact O-OG 3.12Å; E59-S61 PolarHBondContact O-N 3.4Å; E59-S61 VanDerWaalsContact O-N 3.15Å; S61-Q64 PolarHBondContact O-N 3.2Å
62	C	35.9	Very low	41	Very low	72 Å²	72	92.1 Å²	92.1	49%	0.486	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-74.7	-30.8	176.7	-160.6	0	0	0	0	111.7	E59 L60 Q64 T65	E59-C62 WeakPolarHBondContact O-CA 3.25Å; E59-C62 VanDerWaalsContact O-CB 3.24Å; E59-C62 WeakPolarHBondContact O-CB 3.42Å; E59-C62 PolarHBondContact O-N 3.09Å; L60-C62 VanDerWaalsContact C-N 3.32Å; C62-Q64 PolarHBondContact O-N 3.01Å; C62-T65 PolarHBondContact O-N 3.33Å; C62-T65 PolarHBondContact O-OG1 3.39Å
63	C	40.7	Very low	42.3	Very low	58 Å²	58	91.2 Å²	91.2	39%	0.392	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-67.8	-11.5	174.5	-66.7	0	0	0	0	114	E59 T65 R75	E59-C63 PolarHBondContact O-N 2.82Å; C63-T65 VanDerWaalsContact C-N 3.33Å; C63-R75 PolarHBondContact O-NH2 2.89Å
64	Q	41.9	Very low	43.4	Very low	138 Å²	138	88.5 Å²	88.5	65%	0.645	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-76.4	-16.3	179.4	-65.5	-166.9	0.6	0	0	113.8	S61 C62 R75	S61-Q64 PolarHBondContact O-N 3.2Å; C62-Q64 PolarHBondContact O-N 3.01Å; Q64-R75 VanDerWaalsContact CA-NH2 3.35Å; Q64-R75 PolarHBondContact O-NH1 3.38Å; Q64-R75 PolarHBondContact O-NH2 2.8Å
65	T	48.2	Very low	44.3	Very low	120 Å²	120	89.5 Å²	89.5	74%	0.736	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-10.2	-174.6	53.5	0	0	0	0	114.9	C62 C63	C62-T65 PolarHBondContact O-N 3.33Å; C62-T65 PolarHBondContact O-OG1 3.39Å; C63-T65 VanDerWaalsContact C-N 3.33Å
66	A	39.8	Very low	45.5	Very low	46 Å²	46	91.5 Å²	91.5	38%	0.38	53%	0.528	S	S	.	.			trans	-92.9	121.4	-179	0	0	0	0	0	112.4	S68	A66-S68 PolarHBondContact O-N 3.25Å
67	T	54	Low	46.5	Very low	152 Å²	152	90.4 Å²	90.4	93%	0.933	52%	0.515	S	S	*	.			trans	-75	46.9	165.3	46.5	0	0	0	0	111.3
68	S	52.5	Low	47.3	Very low	44 Å²	44	87 Å²	87	31%	0.308	50%	0.5	S	S	.	.			trans	-91.5	133.9	175.5	172.1	0	0	0	0	109.3	A66 V70 A71 E72	A66-S68 PolarHBondContact O-N 3.25Å; S68-V70 PolarHBondContact O-N 2.86Å; S68-V70 VanDerWaalsContact O-N 3.1Å; S68-V70 PolarHBondContact OG-N 3.05Å; S68-A71 CarbonylContact O-C 3.48Å; S68-A71 WeakPolarHBondContact O-CA 3.45Å; S68-A71 WeakPolarHBondContact O-CB 3.09Å; S68-A71 PolarHBondContact O-N 3.33Å; S68-E72 PolarHBondContact O-N 2.94Å
69	P	53.4	Low	48.1	Very low	104 Å²	104	84 Å²	84	68%	0.675	49%	0.486	S	S	*	.	H	α-helix	trans	-57.5	-26	174.1	21.6	-31.1	0	0	0	112.1	A73	P69-A73 WeakPolarHBondContact O-CB 3.41Å; P69-A73 PolarHBondContact O-N 3.32Å
70	V	51.5	Low	48.5	Very low	86 Å²	86	80.6 Å²	80.6	52%	0.521	48%	0.481	S	S	.	.	H	α-helix	trans	-71.2	-39.1	172.6	-175.1	0	0	0	0	111.3	S68 A73 C74	S68-V70 PolarHBondContact O-N 2.86Å; S68-V70 VanDerWaalsContact O-N 3.1Å; S68-V70 PolarHBondContact OG-N 3.05Å; V70-A73 PolarHBondContact O-N 3.46Å; V70-C74 WeakPolarHBondContact O-CB 3.37Å; V70-C74 PolarHBondContact O-N 2.81Å; V70-C74 PolarHBondContact O-SG 3.05Å; V70-C74 VanDerWaalsContact O-SG 3.41Å
71	A	52.3	Low	48.6	Very low	10 Å²	10	81.3 Å²	81.3	8%	0.083	49%	0.485	C	S	.	.	H	α-helix	trans	-68.9	-36	175.4	0	0	0	0	0	111.3	S68 C74 R75	S68-A71 CarbonylContact O-C 3.48Å; S68-A71 WeakPolarHBondContact O-CA 3.45Å; S68-A71 WeakPolarHBondContact O-CB 3.09Å; S68-A71 PolarHBondContact O-N 3.33Å; A71-C74 PolarHBondContact O-N 3.46Å; A71-R75 WeakPolarHBondContact O-CB 3.39Å; A71-R75 VanDerWaalsContact O-CG 3.3Å; A71-R75 WeakPolarHBondContact O-CG 3.16Å; A71-R75 PolarHBondContact O-N 3.09Å
72	E	52.6	Low	48.9	Very low	125 Å²	125	82.8 Å²	82.8	58%	0.584	49%	0.486	S	S	*	.	H	α-helix	trans	-69.2	-41.7	174.1	-166	161.8	-173.1	0	0	111.8	S68 C74 R75 L76	S68-E72 PolarHBondContact O-N 2.94Å; E72-C74 PolarHBondContact O-N 2.82Å; E72-R75 PolarHBondContact O-N 3.47Å; E72-R75 VanDerWaalsContact O-N 3.16Å; E72-L76 HydrophobicContact CG-CD1 4.35Å; E72-L76 WeakPolarHBondContact O-CB 3.34Å; E72-L76 WeakPolarHBondContact O-CG 3.35Å; E72-L76 PolarHBondContact O-N 2.91Å
73	A	53.8	Low	48.9	Very low	45 Å²	45	85.3 Å²	85.3	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-60.5	-43	171.2	0	0	0	0	0	111.9	P69 V70 L76 F77	P69-A73 WeakPolarHBondContact O-CB 3.41Å; P69-A73 PolarHBondContact O-N 3.32Å; V70-A73 PolarHBondContact O-N 3.46Å; A73-L76 PolarHBondContact O-N 3.16Å; A73-F77 WeakPolarHBondContact O-CB 3.48Å; A73-F77 PolarHBondContact O-N 3.04Å
74	C	52.6	Low	48.8	Very low	65 Å²	65	88.3 Å²	88.3	44%	0.439	52%	0.516	S	S	.	.	H	α-helix	trans	-64.3	-38.8	173.3	-76.5	0	0	0	0	112.4	V70 A71 E72 V78	V70-C74 WeakPolarHBondContact O-CB 3.37Å; V70-C74 PolarHBondContact O-N 2.81Å; V70-C74 PolarHBondContact O-SG 3.05Å; V70-C74 VanDerWaalsContact O-SG 3.41Å; A71-C74 PolarHBondContact O-N 3.46Å; E72-C74 PolarHBondContact O-N 2.82Å; C74-V78 WeakPolarHBondContact O-CB 3.45Å; C74-V78 WeakPolarHBondContact O-CG2 3.3Å; C74-V78 PolarHBondContact O-N 3.03Å
75	R	52.3	Low	48.7	Very low	109 Å²	109	85.6 Å²	85.6	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-49.7	175.1	-77	-179.5	-147.6	-131.4	14.4	111.3	C63 Q64 A71 E72 F77 V78 T79	C63-R75 PolarHBondContact O-NH2 2.89Å; Q64-R75 VanDerWaalsContact CA-NH2 3.35Å; Q64-R75 PolarHBondContact O-NH1 3.38Å; Q64-R75 PolarHBondContact O-NH2 2.8Å; A71-R75 WeakPolarHBondContact O-CB 3.39Å; A71-R75 VanDerWaalsContact O-CG 3.3Å; A71-R75 WeakPolarHBondContact O-CG 3.16Å; A71-R75 PolarHBondContact O-N 3.09Å; E72-R75 PolarHBondContact O-N 3.47Å; E72-R75 VanDerWaalsContact O-N 3.16Å; R75-F77 VanDerWaalsContact C-N 3.27Å; R75-F77 PolarHBondContact O-N 2.79Å; R75-V78 PolarHBondContact O-N 3.01Å; R75-V78 VanDerWaalsContact O-N 3.15Å; R75-T79 WeakPolarHBondContact O-CG2 3.49Å; R75-T79 PolarHBondContact O-N 3.41Å; R75-T79 PolarHBondContact O-OG1 2.87Å; R75-T79 VanDerWaalsContact O-OG1 3.04Å
76	L	55.7	Low	48.2	Very low	113 Å²	113	88.4 Å²	88.4	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-36.8	178.6	-70.5	174.8	0	0	0	111.7	E72 A73 T79 G80	E72-L76 HydrophobicContact CG-CD1 4.35Å; E72-L76 WeakPolarHBondContact O-CB 3.34Å; E72-L76 WeakPolarHBondContact O-CG 3.35Å; E72-L76 PolarHBondContact O-N 2.91Å; A73-L76 PolarHBondContact O-N 3.16Å; L76-T79 WeakPolarHBondContact CA-OG1 3.19Å; L76-T79 PolarHBondContact O-OG1 3.15Å; L76-G80 WeakPolarHBondContact O-CA 3.43Å; L76-G80 PolarHBondContact O-N 3.36Å
77	F	52	Low	48.5	Very low	55 Å²	55	92.9 Å²	92.9	24%	0.241	54%	0.535	C	S	.	.	H	α-helix	trans	-67.5	-43.5	174	-169.3	-102.3	0	0	0	111.8	A73 R75 G80 I81 L137 L138 V141	A73-F77 WeakPolarHBondContact O-CB 3.48Å; A73-F77 PolarHBondContact O-N 3.04Å; R75-F77 VanDerWaalsContact C-N 3.27Å; R75-F77 PolarHBondContact O-N 2.79Å; F77-G80 PolarHBondContact O-N 3.15Å; F77-I81 HydrophobicContact CD1-CD1 3.68Å; F77-I81 HydrophobicContact CE1-CD1 3.67Å; F77-I81 HydrophobicContact CG-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CD1 4.36Å; F77-I81 WeakPolarHBondContact O-CD1 3.18Å; F77-I81 WeakPolarHBondContact O-CG1 3.33Å; F77-I81 PolarHBondContact O-N 2.92Å; F77-I81 VanDerWaalsContact O-N 3.09Å; F77-L137 HydrophobicContact CE1-CD2 4.42Å; F77-L138 HydrophobicContact CE2-CD2 4.47Å; F77-V141 HydrophobicContact CE1-CG2 4.1Å; F77-V141 HydrophobicContact CE2-CG2 4.01Å; F77-V141 HydrophobicContact CZ-CB 4.22Å; F77-V141 HydrophobicContact CZ-CG2 3.31Å
78	V	53	Low	48	Very low	66 Å²	66	92.2 Å²	92.2	40%	0.4	52%	0.521	S	S	.	.	H	α-helix	trans	-69.1	-37.5	177.4	171.9	0	0	0	0	111.9	C74 R75 N82	C74-V78 WeakPolarHBondContact O-CB 3.45Å; C74-V78 WeakPolarHBondContact O-CG2 3.3Å; C74-V78 PolarHBondContact O-N 3.03Å; R75-V78 PolarHBondContact O-N 3.01Å; R75-V78 VanDerWaalsContact O-N 3.15Å; V78-N82 PolarHBondContact O-ND2 3.38Å
79	T	54.5	Low	47.9	Very low	70 Å²	70	93 Å²	93	43%	0.429	53%	0.527	S	S	.	.	H	α-helix	trans	-72.4	-38.2	174.6	55.6	0	0	0	0	111.4	R75 L76 I81 N82 D83	R75-T79 WeakPolarHBondContact O-CG2 3.49Å; R75-T79 PolarHBondContact O-N 3.41Å; R75-T79 PolarHBondContact O-OG1 2.87Å; R75-T79 VanDerWaalsContact O-OG1 3.04Å; L76-T79 WeakPolarHBondContact CA-OG1 3.19Å; L76-T79 PolarHBondContact O-OG1 3.15Å; T79-I81 VanDerWaalsContact C-N 3.29Å; T79-I81 PolarHBondContact O-N 3.15Å; T79-N82 PolarHBondContact O-N 3.08Å; T79-D83 PolarHBondContact O-N 3.17Å
80	G	42.4	Very low	47.7	Very low	40 Å²	40	90.5 Å²	90.5	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-27.4	177.2	0	0	0	0	0	114	L76 F77	L76-G80 WeakPolarHBondContact O-CA 3.43Å; L76-G80 PolarHBondContact O-N 3.36Å; F77-G80 PolarHBondContact O-N 3.15Å
81	I	42.2	Very low	48	Very low	104 Å²	104	89.3 Å²	89.3	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-75.6	-26.8	172	-64.7	161.5	0	0	0	111.7	F77 T79	F77-I81 HydrophobicContact CD1-CD1 3.68Å; F77-I81 HydrophobicContact CE1-CD1 3.67Å; F77-I81 HydrophobicContact CG-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CD1 4.36Å; F77-I81 WeakPolarHBondContact O-CD1 3.18Å; F77-I81 WeakPolarHBondContact O-CG1 3.33Å; F77-I81 PolarHBondContact O-N 2.92Å; F77-I81 VanDerWaalsContact O-N 3.09Å; T79-I81 VanDerWaalsContact C-N 3.29Å; T79-I81 PolarHBondContact O-N 3.15Å
82	N	45.3	Very low	48	Very low	117 Å²	117	93.9 Å²	93.9	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-84.8	-29.1	-178.5	-70	-34.6	0	0	0	112.7	V78 T79 S84	V78-N82 PolarHBondContact O-ND2 3.38Å; T79-N82 PolarHBondContact O-N 3.08Å; N82-S84 PolarHBondContact O-N 3.38Å
83	D	36.3	Very low	47.7	Very low	124 Å²	124	90.8 Å²	90.8	66%	0.663	52%	0.522	S	S	*	.	S	Bend	trans	-94.6	89.6	175.7	-70.4	-43.1	0	0	0	110.4	T79 G85	T79-D83 PolarHBondContact O-N 3.17Å; D83-G85 PolarHBondContact O-N 2.77Å; D83-G85 VanDerWaalsContact O-N 3.15Å
84	S	38.5	Very low	47.7	Very low	122 Å²	122	92 Å²	92	85%	0.853	52%	0.52	S	S	*	.			trans	-56.6	114.9	175.8	-44.3	0	0	0	0	110.7	N82	N82-S84 PolarHBondContact O-N 3.38Å
85	G	39.3	Very low	48	Very low	80 Å²	80	91.4 Å²	91.4	83%	0.825	52%	0.517	S	S	*	.	S	Bend	trans	127.9	26.1	159.6	0	0	0	0	0	118.6	D83	D83-G85 PolarHBondContact O-N 2.77Å; D83-G85 VanDerWaalsContact O-N 3.15Å
86	R	39.4	Very low	48.2	Very low	179 Å²	179	92.2 Å²	92.2	68%	0.675	52%	0.523	S	S	*	.			trans	-136.7	71.3	173.5	-147.1	172.6	-176.1	160.8	-0.1	113.4	E88 S89	R86-E88 HydrophobicContact CG-CB 4.23Å; R86-E88 IonicContact NE-OE2 3.48Å; R86-E88 PolarHBondContact O-N 2.77Å; R86-E88 VanDerWaalsContact O-N 3.1Å; R86-S89 PolarHBondContact O-N 3.39Å; R86-S89 PolarHBondContact O-OG 2.73Å
87	E	45.5	Very low	47.9	Very low	141 Å²	141	91.2 Å²	91.2	66%	0.659	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-29.9	169.3	-73.8	179.7	98.2	0	0	112.8	S89 L90	E87-S89 PolarHBondContact O-N 3.37Å; E87-S89 VanDerWaalsContact O-N 3.12Å; E87-L90 PolarHBondContact O-N 3Å; E87-L90 VanDerWaalsContact O-N 3.15Å
88	E	43.9	Very low	48	Very low	137 Å²	137	95.7 Å²	95.7	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-58.5	-26.1	178.6	-154.5	173.9	-156.3	0	0	113.4	R86	R86-E88 HydrophobicContact CG-CB 4.23Å; R86-E88 IonicContact NE-OE2 3.48Å; R86-E88 PolarHBondContact O-N 2.77Å; R86-E88 VanDerWaalsContact O-N 3.1Å
89	S	50	Low	47.9	Very low	62 Å²	62	99.3 Å²	99.3	43%	0.434	55%	0.553	S	S	.	*	H	α-helix	trans	-80.1	-23	-179.8	64	0	0	0	0	114.5	R86 E87 A93	R86-S89 PolarHBondContact O-N 3.39Å; R86-S89 PolarHBondContact O-OG 2.73Å; E87-S89 PolarHBondContact O-N 3.37Å; E87-S89 VanDerWaalsContact O-N 3.12Å; S89-A93 VanDerWaalsContact O-CB 3.25Å; S89-A93 WeakPolarHBondContact O-CB 3.39Å; S89-A93 PolarHBondContact O-N 3.36Å
90	L	49.6	Very low	47.7	Very low	50 Å²	50	102.6 Å²	102.6	26%	0.262	57%	0.568	S	S	.	*	H	α-helix	trans	-75.5	-42.5	-178.9	-161.9	86.3	0	0	0	111.3	E87 E92 A93 Q94	E87-L90 PolarHBondContact O-N 3Å; E87-L90 VanDerWaalsContact O-N 3.15Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-A93 PolarHBondContact O-N 3.47Å; L90-Q94 WeakPolarHBondContact O-CB 3.05Å; L90-Q94 WeakPolarHBondContact O-CG 3.38Å; L90-Q94 PolarHBondContact O-N 3.29Å
91	A	56.5	Low	47.9	Very low	61 Å²	61	103.2 Å²	103.2	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-65.8	-38.3	177.5	0	0	0	0	0	111.6	Q94 S95	A91-Q94 PolarHBondContact O-N 2.85Å; A91-S95 PolarHBondContact O-N 2.9Å
92	E	52.7	Low	47.7	Very low	107 Å²	107	104.8 Å²	104.8	50%	0.5	58%	0.58	S	S	.	*	H	α-helix	trans	-71.2	-35.5	176.9	-157.5	169.6	151.4	0	0	111.9	L90 S95 K96	L90-E92 VanDerWaalsContact C-N 3.34Å; E92-S95 PolarHBondContact O-N 2.94Å; E92-S95 PolarHBondContact O-OG 2.9Å; E92-S95 VanDerWaalsContact O-OG 3.05Å; E92-K96 WeakPolarHBondContact O-CG 3.09Å; E92-K96 PolarHBondContact O-N 2.97Å; E92-K96 VanDerWaalsContact O-N 3.17Å; E92-K96 IonicContact OE1-NZ 2.78Å; E92-K96 PolarHBondContact OE1-NZ 2.73Å
93	A	47	Very low	47.4	Very low	59 Å²	59	104.5 Å²	104.5	49%	0.488	58%	0.584	S	S	.	*	H	α-helix	trans	-66.8	-35.4	170.8	0	0	0	0	0	112.7	S89 L90 F97	S89-A93 VanDerWaalsContact O-CB 3.25Å; S89-A93 WeakPolarHBondContact O-CB 3.39Å; S89-A93 PolarHBondContact O-N 3.36Å; L90-A93 PolarHBondContact O-N 3.47Å; A93-F97 PolarHBondContact O-N 3.49Å
94	Q	54	Low	47.4	Very low	71 Å²	71	103.8 Å²	103.8	33%	0.332	60%	0.596	S	S	.	*	H	α-helix	trans	-66.6	-45.4	173.1	-78.4	176.4	-43.1	0	0	111.7	L90 A91 K96 F97 E98	L90-Q94 WeakPolarHBondContact O-CB 3.05Å; L90-Q94 WeakPolarHBondContact O-CG 3.38Å; L90-Q94 PolarHBondContact O-N 3.29Å; A91-Q94 PolarHBondContact O-N 2.85Å; Q94-K96 VanDerWaalsContact C-N 3.34Å; Q94-K96 PolarHBondContact O-N 3.46Å; Q94-F97 WeakPolarHBondContact O-CB 3.46Å; Q94-F97 PolarHBondContact O-N 3.48Å; Q94-E98 PolarHBondContact O-N 3.1Å
95	S	58.9	Low	47.3	Very low	53 Å²	53	102.6 Å²	102.6	37%	0.371	59%	0.588	S	S	.	*	H	α-helix	trans	-61.8	-40.6	178.5	79.2	0	0	0	0	112.5	A91 E92 F97 E98 D99	A91-S95 PolarHBondContact O-N 2.9Å; E92-S95 PolarHBondContact O-N 2.94Å; E92-S95 PolarHBondContact O-OG 2.9Å; E92-S95 VanDerWaalsContact O-OG 3.05Å; S95-F97 PolarHBondContact O-N 3.41Å; S95-E98 PolarHBondContact O-N 2.91Å; S95-D99 PolarHBondContact O-N 2.85Å; S95-D99 VanDerWaalsContact O-N 3.09Å
96	K	56.3	Low	47.2	Very low	125 Å²	125	103.9 Å²	103.9	54%	0.543	58%	0.584	S	S	.	*	H	α-helix	trans	-65.3	-20.8	175.5	-72.4	173.7	-175.4	165.5	0	113	E92 Q94 N100	E92-K96 WeakPolarHBondContact O-CG 3.09Å; E92-K96 PolarHBondContact O-N 2.97Å; E92-K96 VanDerWaalsContact O-N 3.17Å; E92-K96 IonicContact OE1-NZ 2.78Å; E92-K96 PolarHBondContact OE1-NZ 2.73Å; Q94-K96 VanDerWaalsContact C-N 3.34Å; Q94-K96 PolarHBondContact O-N 3.46Å; K96-N100 PolarHBondContact O-ND2 2.77Å
97	F	49.5	Very low	47.2	Very low	93 Å²	93	100.4 Å²	100.4	41%	0.408	59%	0.587	S	S	.	*	H	α-helix	trans	-86.5	-36.9	176.9	-146.4	-89.9	0	0	0	111.9	A93 Q94 S95 N100 S101 I134	A93-F97 PolarHBondContact O-N 3.49Å; Q94-F97 WeakPolarHBondContact O-CB 3.46Å; Q94-F97 PolarHBondContact O-N 3.48Å; S95-F97 PolarHBondContact O-N 3.41Å; F97-N100 PolarHBondContact O-N 3.17Å; F97-S101 PolarHBondContact O-N 2.86Å; F97-S101 PolarHBondContact O-OG 3.17Å; F97-I134 HydrophobicContact CZ-CD1 3.98Å
98	E	54.2	Low	46.9	Very low	149 Å²	149	98.6 Å²	98.6	70%	0.696	59%	0.59	S	S	*	*	H	α-helix	trans	-69.8	-37.7	176.9	-70.7	-174	158.6	0	0	112.3	Q94 S95 N100 S101	Q94-E98 PolarHBondContact O-N 3.1Å; S95-E98 PolarHBondContact O-N 2.91Å; E98-N100 PolarHBondContact O-N 2.97Å; E98-S101 PolarHBondContact O-N 3.44Å; E98-S101 VanDerWaalsContact O-N 3.08Å
99	D	50.1	Low	46.7	Very low	142 Å²	142	97 Å²	97	76%	0.759	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-19.2	175.9	-74.6	-25.7	0	0	0	113.5	S95	S95-D99 PolarHBondContact O-N 2.85Å; S95-D99 VanDerWaalsContact O-N 3.09Å
100	N	50.8	Low	46	Very low	138 Å²	138	99 Å²	99	74%	0.738	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	3.5	177.2	-73	-59.8	0	0	0	113.5	K96 F97 E98	K96-N100 PolarHBondContact O-ND2 2.77Å; F97-N100 PolarHBondContact O-N 3.17Å; E98-N100 PolarHBondContact O-N 2.97Å
101	S	46.8	Very low	45.6	Very low	54 Å²	54	101.9 Å²	101.9	38%	0.378	63%	0.632	S	S	.	*	S	Bend	trans	-101.5	108.2	-178.5	-62.3	0	0	0	0	110.6	F97 E98	F97-S101 PolarHBondContact O-N 2.86Å; F97-S101 PolarHBondContact O-OG 3.17Å; E98-S101 PolarHBondContact O-N 3.44Å; E98-S101 VanDerWaalsContact O-N 3.08Å
102	V	37.8	Very low	44.5	Very low	136 Å²	136	109.1 Å²	109.1	82%	0.824	65%	0.652	S	S	*	*			trans	-54.7	131.6	178.8	180	0	0	0	0	110.9	A104	V102-A104 PolarHBondContact O-N 2.92Å
103	P	39.2	Very low	43.6	Very low	111 Å²	111	108.9 Å²	108.9	72%	0.721	67%	0.669	S	S	*	*			trans	-67.1	133.8	-177.4	25.4	-32.8	0	0	0	112	S105	P103-S105 PolarHBondContact O-N 3.4Å
104	A	34.8	Very low	42.8	Very low	110 Å²	110	115.7 Å²	115.7	91%	0.909	69%	0.691	S	S	*	*			trans	-79	106.6	169.9	0	0	0	0	0	110.1	V102	V102-A104 PolarHBondContact O-N 2.92Å
105	S	37.6	Very low	41.9	Very low	97 Å²	97	116.5 Å²	116.5	68%	0.678	71%	0.709	S	S	*	*			trans	-135.2	109.7	166.2	57.4	0	0	0	0	111.1	P103	P103-S105 PolarHBondContact O-N 3.4Å
106	S	36.5	Very low	40.7	Very low	106 Å²	106	119.8 Å²	119.8	74%	0.741	73%	0.732	S	S	*	*			trans	35	134.2	139	57.3	0	0	0	0	121
107	S	39.8	Very low	39.5	Very low	106 Å²	106	119.2 Å²	119.2	74%	0.741	74%	0.742	S	S	*	*			trans	91.2	115.3	145	71.3	0	0	0	0	119.7
108	S	38.8	Very low	38.5	Very low	103 Å²	103	125 Å²	125	72%	0.72	76%	0.763	S	S	*	*			trans	60.7	120.3	138.1	55.8	0	0	0	0	121.6
109	S	39.4	Very low	37.5	Very low	103 Å²	103	124.3 Å²	124.3	72%	0.72	77%	0.772	S	S	*	*			trans	65.5	107.5	139.8	56.7	0	0	0	0	119.9
110	S	37.1	Very low	36.8	Very low	105 Å²	105	120.9 Å²	120.9	73%	0.734	77%	0.769	S	S	*	*			trans	55.6	126.8	137.6	64.8	0	0	0	0	120.6
111	S	40	Very low	35.9	Very low	110 Å²	110	121 Å²	121	77%	0.769	77%	0.769	S	S	*	*			trans	77.8	113.8	151.5	49	0	0	0	0	119.2
112	K	33.5	Very low	35.6	Very low	213 Å²	213	128.1 Å²	128.1	93%	0.926	79%	0.794	S	S	*	*			trans	53.1	97.4	148.5	-79.8	178.1	172.8	174.9	0	116.7
113	A	33.7	Very low	35.6	Very low	102 Å²	102	126.7 Å²	126.7	84%	0.843	78%	0.782	S	S	*	*			trans	-152.4	136	134.2	0	0	0	0	0	109.2
114	E	29.8	Very low	35.3	Very low	203 Å²	203	126.3 Å²	126.3	95%	0.949	78%	0.78	S	S	*	*			trans	-68.8	123.7	-171.5	-60.3	170.4	136.1	0	0	110.9
115	A	35.6	Very low	35.4	Very low	87 Å²	87	123.4 Å²	123.4	72%	0.719	76%	0.761	S	S	*	*			trans	-111.2	119.5	153.8	0	0	0	0	0	105.9	C117	A115-C117 PolarHBondContact O-N 2.94Å
116	S	33.1	Very low	35.7	Very low	123 Å²	123	123.7 Å²	123.7	86%	0.86	76%	0.755	S	S	*	*			trans	-53.1	89.9	-174.6	53.1	0	0	0	0	112.5
117	C	32.7	Very low	35.9	Very low	112 Å²	112	121.8 Å²	121.8	76%	0.757	75%	0.746	S	S	*	*			trans	-80.7	128	163.7	-85.6	0	0	0	0	108.9	A115	A115-C117 PolarHBondContact O-N 2.94Å
118	Y	27.7	Very low	36.1	Very low	215 Å²	215	123.4 Å²	123.4	84%	0.843	75%	0.745	S	S	*	*			trans	-51.5	133	170.3	-90.7	-95.2	0	0	0	110.7	G120	Y118-G120 PolarHBondContact O-N 3.39Å
119	P	33.5	Very low	36.1	Very low	135 Å²	135	124.6 Å²	124.6	88%	0.877	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	100.3	179.6	28.7	-30.7	0	0	0	109
120	G	34.1	Very low	36.5	Very low	69 Å²	69	121.7 Å²	121.7	71%	0.711	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.1	-26	176.3	0	0	0	0	0	115.7	Y118	Y118-G120 PolarHBondContact O-N 3.39Å
121	L	32.5	Very low	37	Very low	140 Å²	140	121.5 Å²	121.5	73%	0.733	71%	0.71	S	S	*	*			trans	-107.9	96	177.8	-95.6	70	0	0	0	110.1	D123	L121-D123 PolarHBondContact O-N 3.5Å
122	K	40.2	Very low	37.8	Very low	204 Å²	204	118.5 Å²	118.5	89%	0.887	69%	0.69	S	S	*	*			trans	-77.7	-1.4	173.7	-102.7	177.3	175.6	176.1	0	114
123	D	38.1	Very low	38.7	Very low	107 Å²	107	114.7 Å²	114.7	57%	0.572	67%	0.673	S	S	*	*			trans	-120.3	75.2	-174.9	-56.7	-47.3	0	0	0	111.4	L121 G125 N126	L121-D123 PolarHBondContact O-N 3.5Å; D123-G125 PolarHBondContact O-N 3.09Å; D123-N126 PolarHBondContact O-N 2.84Å; D123-N126 VanDerWaalsContact O-N 3.07Å
124	C	32.6	Very low	39.9	Very low	102 Å²	102	112 Å²	112	69%	0.689	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	6.9	177.4	-57.8	0	0	0	0	114.5
125	G	38.2	Very low	41.3	Very low	50 Å²	50	105.5 Å²	105.5	52%	0.515	62%	0.621	S	S	.	*	H	α-helix	trans	-77.9	-23.3	165.9	0	0	0	0	0	113.7	D123 M129	D123-G125 PolarHBondContact O-N 3.09Å; G125-M129 PolarHBondContact O-N 2.92Å
126	N	43.4	Very low	42.6	Very low	102 Å²	102	108.1 Å²	108.1	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-79	-27.5	-175.6	-72.4	-17	0	0	0	113.3	D123 M129 A130	D123-N126 PolarHBondContact O-N 2.84Å; D123-N126 VanDerWaalsContact O-N 3.07Å; N126-M129 PolarHBondContact O-N 3.45Å; N126-A130 WeakPolarHBondContact O-CB 3.46Å; N126-A130 PolarHBondContact O-N 2.71Å
127	A	39.6	Very low	43.8	Very low	66 Å²	66	104.9 Å²	104.9	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-66	-40.9	177.6	0	0	0	0	0	112	A130 H131	A127-A130 PolarHBondContact O-N 3.01Å; A127-H131 PolarHBondContact O-N 3.1Å
128	L	44.9	Very low	45	Very low	141 Å²	141	101.9 Å²	101.9	74%	0.738	57%	0.565	S	S	*	*	H	α-helix	trans	-67.1	-37.4	175.4	-120.4	114.5	0	0	0	111.8	H131 S132	L128-H131 PolarHBondContact O-N 2.77Å; L128-S132 WeakPolarHBondContact O-CB 3.33Å; L128-S132 PolarHBondContact O-N 3.1Å
129	M	38.8	Very low	46.3	Very low	128 Å²	128	94.6 Å²	94.6	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-65.4	-43	174.1	-74	-73.5	-83.9	0	0	111.2	G125 N126 S132 F133	G125-M129 PolarHBondContact O-N 2.92Å; N126-M129 PolarHBondContact O-N 3.45Å; M129-S132 PolarHBondContact O-N 3.35Å; M129-S132 PolarHBondContact O-OG 2.77Å; M129-F133 VanDerWaalsContact O-CB 3.28Å; M129-F133 WeakPolarHBondContact O-CB 3.34Å; M129-F133 PolarHBondContact O-N 3.34Å
130	A	47	Very low	47.2	Very low	42 Å²	42	91.5 Å²	91.5	35%	0.347	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-43.9	173.6	0	0	0	0	0	111.3	N126 A127 S132 F133 I134	N126-A130 WeakPolarHBondContact O-CB 3.46Å; N126-A130 PolarHBondContact O-N 2.71Å; A127-A130 PolarHBondContact O-N 3.01Å; A130-S132 PolarHBondContact O-N 3.18Å; A130-F133 CarbonylContact O-C 3.6Å; A130-F133 WeakPolarHBondContact O-CB 3.46Å; A130-F133 PolarHBondContact O-N 2.77Å; A130-F133 VanDerWaalsContact O-N 3.15Å; A130-I134 WeakPolarHBondContact O-CB 3.43Å; A130-I134 WeakPolarHBondContact O-CG1 3.18Å; A130-I134 PolarHBondContact O-N 2.84Å
131	H	47.9	Very low	48	Very low	100 Å²	100	88.9 Å²	88.9	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-43.3	175.2	-138.1	-82.1	0	0	0	111.5	A127 L128 F133 I134 S135	A127-H131 PolarHBondContact O-N 3.1Å; L128-H131 PolarHBondContact O-N 2.77Å; H131-F133 VanDerWaalsContact C-N 3.28Å; H131-F133 PolarHBondContact O-N 3.13Å; H131-I134 PolarHBondContact O-N 2.78Å; H131-S135 WeakPolarHBondContact O-CB 3.41Å; H131-S135 PolarHBondContact O-N 2.69Å; H131-S135 PolarHBondContact O-OG 3.12Å; H131-S135 VanDerWaalsContact O-OG 3.09Å
132	S	56	Low	48.7	Very low	47 Å²	47	86.7 Å²	86.7	33%	0.329	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-32.4	175.4	88.5	0	0	0	0	112.8	L128 M129 A130 K136	L128-S132 WeakPolarHBondContact O-CB 3.33Å; L128-S132 PolarHBondContact O-N 3.1Å; M129-S132 PolarHBondContact O-N 3.35Å; M129-S132 PolarHBondContact O-OG 2.77Å; A130-S132 PolarHBondContact O-N 3.18Å; S132-K136 WeakPolarHBondContact O-CB 3.37Å; S132-K136 WeakPolarHBondContact O-CD 3.42Å; S132-K136 VanDerWaalsContact O-CG 3.24Å; S132-K136 WeakPolarHBondContact O-CG 3.39Å; S132-K136 PolarHBondContact O-N 3.19Å
133	F	53.4	Low	48.9	Very low	133 Å²	133	81 Å²	81	58%	0.583	47%	0.467	S	S	*	.	H	α-helix	trans	-75.7	-42.7	179.3	-169.3	-100.2	0	0	0	110.8	M129 A130 H131 K136 L137	M129-F133 VanDerWaalsContact O-CB 3.28Å; M129-F133 WeakPolarHBondContact O-CB 3.34Å; M129-F133 PolarHBondContact O-N 3.34Å; A130-F133 CarbonylContact O-C 3.6Å; A130-F133 WeakPolarHBondContact O-CB 3.46Å; A130-F133 PolarHBondContact O-N 2.77Å; A130-F133 VanDerWaalsContact O-N 3.15Å; H131-F133 VanDerWaalsContact C-N 3.28Å; H131-F133 PolarHBondContact O-N 3.13Å; F133-K136 CarbonylContact O-C 3.49Å; F133-K136 PolarHBondContact O-N 3.39Å; F133-L137 HydrophobicContact CD1-CD1 3.56Å; F133-L137 HydrophobicContact CD1-CG 4.18Å; F133-L137 HydrophobicContact CE1-CD1 3.38Å; F133-L137 HydrophobicContact CE1-CG 4.01Å; F133-L137 HydrophobicContact CZ-CD1 4.31Å; F133-L137 WeakPolarHBondContact O-CB 3.42Å; F133-L137 WeakPolarHBondContact O-CG 3.17Å; F133-L137 PolarHBondContact O-N 3.33Å
134	I	58.9	Low	49.2	Very low	47 Å²	47	81.9 Å²	81.9	24%	0.241	47%	0.471	C	S	.	.	H	α-helix	trans	-65.2	-45.8	174.4	-66.1	165.2	0	0	0	109.8	F97 A130 H131 K136 L137 L138	F97-I134 HydrophobicContact CZ-CD1 3.98Å; A130-I134 WeakPolarHBondContact O-CB 3.43Å; A130-I134 WeakPolarHBondContact O-CG1 3.18Å; A130-I134 PolarHBondContact O-N 2.84Å; H131-I134 PolarHBondContact O-N 2.78Å; I134-K136 VanDerWaalsContact C-N 3.29Å; I134-K136 PolarHBondContact O-N 3.31Å; I134-L137 CarbonylContact O-C 3.55Å; I134-L137 WeakPolarHBondContact O-CB 3.24Å; I134-L137 PolarHBondContact O-N 3.07Å; I134-L137 VanDerWaalsContact O-N 3.1Å; I134-L138 HydrophobicContact CG2-CD1 3.92Å; I134-L138 HydrophobicContact CG2-CG 4.19Å; I134-L138 WeakPolarHBondContact O-CB 3.21Å; I134-L138 WeakPolarHBondContact O-CG 3.41Å; I134-L138 PolarHBondContact O-N 2.9Å
135	S	59.6	Low	49.5	Very low	66 Å²	66	79.6 Å²	79.6	46%	0.462	45%	0.452	S	S	.	.	H	α-helix	trans	-61.5	-36.8	174.7	-63.2	0	0	0	0	112.6	H131 S139	H131-S135 WeakPolarHBondContact O-CB 3.41Å; H131-S135 PolarHBondContact O-N 2.69Å; H131-S135 PolarHBondContact O-OG 3.12Å; H131-S135 VanDerWaalsContact O-OG 3.09Å; S135-S139 VanDerWaalsContact O-CB 3.24Å; S135-S139 WeakPolarHBondContact O-CB 3.38Å; S135-S139 PolarHBondContact O-N 2.82Å
136	K	62.9	Low	49.8	Very low	141 Å²	141	83.8 Å²	83.8	61%	0.613	46%	0.462	S	S	*	.	H	α-helix	trans	-68.6	-40.1	172.2	-79.2	169.8	-175.1	164.3	0	111.9	S132 F133 I134 S139 T140	S132-K136 WeakPolarHBondContact O-CB 3.37Å; S132-K136 WeakPolarHBondContact O-CD 3.42Å; S132-K136 VanDerWaalsContact O-CG 3.24Å; S132-K136 WeakPolarHBondContact O-CG 3.39Å; S132-K136 PolarHBondContact O-N 3.19Å; F133-K136 CarbonylContact O-C 3.49Å; F133-K136 PolarHBondContact O-N 3.39Å; I134-K136 VanDerWaalsContact C-N 3.29Å; I134-K136 PolarHBondContact O-N 3.31Å; K136-S139 PolarHBondContact O-N 3.48Å; K136-T140 WeakPolarHBondContact O-CG2 3.36Å; K136-T140 PolarHBondContact O-N 3.22Å; K136-T140 PolarHBondContact O-OG1 3.38Å; K136-T140 VanDerWaalsContact O-OG1 3.1Å
137	L	58.1	Low	49.5	Very low	55 Å²	55	81.8 Å²	81.8	29%	0.288	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-46.6	176.6	-86.5	172.3	0	0	0	111.4	F77 F133 I134 T140 V141	F77-L137 HydrophobicContact CE1-CD2 4.42Å; F133-L137 HydrophobicContact CD1-CD1 3.56Å; F133-L137 HydrophobicContact CD1-CG 4.18Å; F133-L137 HydrophobicContact CE1-CD1 3.38Å; F133-L137 HydrophobicContact CE1-CG 4.01Å; F133-L137 HydrophobicContact CZ-CD1 4.31Å; F133-L137 WeakPolarHBondContact O-CB 3.42Å; F133-L137 WeakPolarHBondContact O-CG 3.17Å; F133-L137 PolarHBondContact O-N 3.33Å; I134-L137 CarbonylContact O-C 3.55Å; I134-L137 WeakPolarHBondContact O-CB 3.24Å; I134-L137 PolarHBondContact O-N 3.07Å; I134-L137 VanDerWaalsContact O-N 3.1Å; L137-T140 VanDerWaalsContact C-OG1 3.31Å; L137-T140 VanDerWaalsContact CA-OG1 3.25Å; L137-T140 WeakPolarHBondContact CA-OG1 3.25Å; L137-T140 CarbonylContact O-C 3.58Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 PolarHBondContact O-OG1 3.42Å; L137-V141 WeakPolarHBondContact O-CG2 3.34Å; L137-V141 PolarHBondContact O-N 2.9Å
138	L	57.6	Low	49.1	Very low	50 Å²	50	83.4 Å²	83.4	26%	0.262	46%	0.462	S	S	.	.	H	α-helix	trans	-62.9	-44.5	175.1	-68.9	176	0	0	0	110.8	F77 I134 T140 V141 E142	F77-L138 HydrophobicContact CE2-CD2 4.47Å; I134-L138 HydrophobicContact CG2-CD1 3.92Å; I134-L138 HydrophobicContact CG2-CG 4.19Å; I134-L138 WeakPolarHBondContact O-CB 3.21Å; I134-L138 WeakPolarHBondContact O-CG 3.41Å; I134-L138 PolarHBondContact O-N 2.9Å; L138-T140 VanDerWaalsContact C-N 3.29Å; L138-T140 PolarHBondContact O-N 3.07Å; L138-V141 CarbonylContact O-C 3.34Å; L138-V141 PolarHBondContact O-N 3.27Å; L138-V141 VanDerWaalsContact O-N 3.13Å; L138-E142 WeakPolarHBondContact O-CB 3.48Å; L138-E142 PolarHBondContact O-N 3.48Å
139	S	55.4	Low	48.4	Very low	62 Å²	62	83.8 Å²	83.8	43%	0.434	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-36.8	173.1	174.8	0	0	0	0	112.5	S135 K136 S143	S135-S139 VanDerWaalsContact O-CB 3.24Å; S135-S139 WeakPolarHBondContact O-CB 3.38Å; S135-S139 PolarHBondContact O-N 2.82Å; K136-S139 PolarHBondContact O-N 3.48Å; S139-S143 VanDerWaalsContact O-CB 3.27Å; S139-S143 WeakPolarHBondContact O-CB 3.32Å; S139-S143 PolarHBondContact O-N 2.76Å; S139-S143 PolarHBondContact O-OG 3.37Å
140	T	53	Low	47.9	Very low	70 Å²	70	89.1 Å²	89.1	43%	0.429	48%	0.478	S	S	.	.	H	α-helix	trans	-71	-35.9	173.8	51.7	0	0	0	0	112.5	K136 L137 L138 S143 L144	K136-T140 WeakPolarHBondContact O-CG2 3.36Å; K136-T140 PolarHBondContact O-N 3.22Å; K136-T140 PolarHBondContact O-OG1 3.38Å; K136-T140 VanDerWaalsContact O-OG1 3.1Å; L137-T140 VanDerWaalsContact C-OG1 3.31Å; L137-T140 VanDerWaalsContact CA-OG1 3.25Å; L137-T140 WeakPolarHBondContact CA-OG1 3.25Å; L137-T140 CarbonylContact O-C 3.58Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 PolarHBondContact O-OG1 3.42Å; L138-T140 VanDerWaalsContact C-N 3.29Å; L138-T140 PolarHBondContact O-N 3.07Å; T140-S143 CarbonylContact O-C 3.51Å; T140-S143 WeakPolarHBondContact O-CB 3.44Å; T140-S143 PolarHBondContact O-N 2.79Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 3.42Å
141	V	49.1	Very low	47	Very low	13 Å²	13	93.1 Å²	93.1	8%	0.079	50%	0.502	C	S	.	.	H	α-helix	trans	-74.3	-40.6	176.9	168.2	0	0	0	0	111.4	F77 L137 L138 S143 L144 N145	F77-V141 HydrophobicContact CE1-CG2 4.1Å; F77-V141 HydrophobicContact CE2-CG2 4.01Å; F77-V141 HydrophobicContact CZ-CB 4.22Å; F77-V141 HydrophobicContact CZ-CG2 3.31Å; L137-V141 WeakPolarHBondContact O-CG2 3.34Å; L137-V141 PolarHBondContact O-N 2.9Å; L138-V141 CarbonylContact O-C 3.34Å; L138-V141 PolarHBondContact O-N 3.27Å; L138-V141 VanDerWaalsContact O-N 3.13Å; V141-S143 PolarHBondContact O-N 3.15Å; V141-L144 CarbonylContact O-C 3.6Å; V141-L144 WeakPolarHBondContact O-CA 3.27Å; V141-L144 WeakPolarHBondContact O-CB 3.37Å; V141-L144 PolarHBondContact O-N 3.32Å; V141-N145 WeakPolarHBondContact O-CB 3.44Å; V141-N145 PolarHBondContact O-N 3.38Å
142	E	48.6	Very low	46.1	Very low	94 Å²	94	93.6 Å²	93.6	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-59	-37	166.5	-79	175.2	169.6	0	0	111.1	L138 L144 N146	L138-E142 WeakPolarHBondContact O-CB 3.48Å; L138-E142 PolarHBondContact O-N 3.48Å; E142-L144 PolarHBondContact O-N 2.68Å; E142-N146 WeakPolarHBondContact O-CA 3.27Å; E142-N146 WeakPolarHBondContact O-CB 3.15Å; E142-N146 PolarHBondContact O-N 3.43Å; E142-N146 PolarHBondContact O-ND2 2.88Å
143	S	44.9	Very low	44.8	Very low	86 Å²	86	97.4 Å²	97.4	60%	0.601	54%	0.535	S	S	*	.	H	α-helix	trans	-71.6	-18.3	173.3	-60.4	0	0	0	0	113.6	S139 T140 V141	S139-S143 VanDerWaalsContact O-CB 3.27Å; S139-S143 WeakPolarHBondContact O-CB 3.32Å; S139-S143 PolarHBondContact O-N 2.76Å; S139-S143 PolarHBondContact O-OG 3.37Å; T140-S143 CarbonylContact O-C 3.51Å; T140-S143 WeakPolarHBondContact O-CB 3.44Å; T140-S143 PolarHBondContact O-N 2.79Å; V141-S143 PolarHBondContact O-N 3.15Å
144	L	43.6	Very low	43.7	Very low	124 Å²	124	96 Å²	96	65%	0.649	54%	0.537	S	S	*	.	H	α-helix	trans	-90.2	-36.4	175	-70.1	166.6	0	0	0	111.4	T140 V141 E142 G147	T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 3.42Å; V141-L144 CarbonylContact O-C 3.6Å; V141-L144 WeakPolarHBondContact O-CA 3.27Å; V141-L144 WeakPolarHBondContact O-CB 3.37Å; V141-L144 PolarHBondContact O-N 3.32Å; E142-L144 PolarHBondContact O-N 2.68Å; L144-G147 PolarHBondContact O-N 3.34Å
145	N	39.6	Very low	42.1	Very low	55 Å²	55	99.3 Å²	99.3	29%	0.294	56%	0.56	S	S	.	*	H	α-helix	trans	-85.6	-33.7	-179.6	-69	3.6	0	0	0	112.3	V141 G147 E148	V141-N145 WeakPolarHBondContact O-CB 3.44Å; V141-N145 PolarHBondContact O-N 3.38Å; N145-G147 PolarHBondContact O-N 2.86Å; N145-E148 WeakPolarHBondContact O-CB 3.43Å; N145-E148 WeakPolarHBondContact O-CG 3.47Å; N145-E148 PolarHBondContact O-N 2.84Å
146	N	42.6	Very low	40.6	Very low	138 Å²	138	100.8 Å²	100.8	74%	0.738	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	7.5	166.6	-62.8	-35.6	0	0	0	112.7	E142	E142-N146 WeakPolarHBondContact O-CA 3.27Å; E142-N146 WeakPolarHBondContact O-CB 3.15Å; E142-N146 PolarHBondContact O-N 3.43Å; E142-N146 PolarHBondContact O-ND2 2.88Å
147	G	37.3	Very low	38.8	Very low	60 Å²	60	99.7 Å²	99.7	62%	0.619	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	13.5	162.8	0	0	0	0	0	113.8	L144 N145 D149	L144-G147 PolarHBondContact O-N 3.34Å; N145-G147 PolarHBondContact O-N 2.86Å; G147-D149 PolarHBondContact O-N 3.34Å
148	E	32.5	Very low	37.5	Very low	100 Å²	100	105.9 Å²	105.9	47%	0.467	60%	0.596	S	S	.	*			trans	-72.4	119	171.4	-74.3	168.8	137.6	0	0	109.5	N145	N145-E148 WeakPolarHBondContact O-CB 3.43Å; N145-E148 WeakPolarHBondContact O-CG 3.47Å; N145-E148 PolarHBondContact O-N 2.84Å
149	D	29.6	Very low	36.1	Very low	148 Å²	148	112.4 Å²	112.4	79%	0.791	62%	0.623	S	S	*	*	S	Bend	trans	57.6	75.2	160	-63	-24.8	0	0	0	118.3	G147	G147-D149 PolarHBondContact O-N 3.34Å
150	R	29.3	Very low	34.9	Very low	241 Å²	241	117 Å²	117	91%	0.909	64%	0.642	S	S	*	*				-174.7	95.9	128	-94.2	150.3	-158.2	-138.5	9.3	109.4	P152	R150-P152 WeakPolarHBondContact O-CD 3.24Å
151	C	27.5	Very low	33.9	Very low	126 Å²	126	122 Å²	122	85%	0.851	66%	0.66	S	S	*	*			trans	-74.9	109.7	152.1	-80.4	0	0	0	0	107.8
152	P	28	Very low	33.1	Very low	109 Å²	109	124.7 Å²	124.7	71%	0.708	69%	0.691	S	S	*	*			trans	-75.1	137.3	153.1	33.2	-29.1	0	0	0	106.4	R150	R150-P152 WeakPolarHBondContact O-CD 3.24Å
153	V	29.6	Very low	32.3	Very low	128 Å²	128	126.3 Å²	126.3	78%	0.776	71%	0.713	S	S	*	*	S	Bend	trans	80.5	93.4	-177.9	-163.1	0	0	0	0	110.9
154	V	30.6	Very low	32	Very low	104 Å²	104	125.6 Å²	125.6	63%	0.63	72%	0.718	S	S	*	*				-160.1	102	63.7	177	0	0	0	0	108
155	T	24.5	Very low	31.4	Very low	116 Å²	116	127.2 Å²	127.2	71%	0.712	73%	0.728	S	S	*	*			trans	-106.7	142	158.9	40.7	0	0	0	0	107.6
156	T	27.4	Very low	31.4	Very low	97 Å²	97	129.1 Å²	129.1	60%	0.595	75%	0.746	S	S	*	*			trans	83.9	119	163.7	64.4	0	0	0	0	119.9
157	N	25.8	Very low	31	Very low	118 Å²	118	131.1 Å²	131.1	63%	0.631	75%	0.747	S	S	*	*			trans	79.3	138.3	146.7	-49	-27.5	0	0	0	116.8
158	M	31.7	Very low	30.9	Very low	184 Å²	184	138.8 Å²	138.8	91%	0.906	76%	0.758	S	S	*	*			cis	-151.9	141	37.1	-67.9	176	105.2	0	0	113.1
159	F	26.7	Very low	30.7	Very low	188 Å²	188	140.6 Å²	140.6	83%	0.825	77%	0.766	S	S	*	*			trans	-38	145.8	156.7	-100.3	-119.1	0	0	0	114.2
160	L	31.9	Very low	31	Very low	157 Å²	157	141 Å²	141	82%	0.822	76%	0.763	S	S	*	*				-153.6	106	120.1	-94.1	171.1	0	0	0	109.6
161	E	30.4	Very low	31.4	Very low	176 Å²	176	134.3 Å²	134.3	82%	0.822	75%	0.751	S	S	*	*			trans	70.7	113.4	149.6	-49.2	-162.8	161.3	0	0	120.6
162	G	33.5	Very low	32.1	Very low	70 Å²	70	136.1 Å²	136.1	72%	0.722	75%	0.747	S	S	*	*			trans	169.2	73.2	169.2	0	0	0	0	0	111.3
163	S	31.4	Very low	32.5	Very low	128 Å²	128	141.7 Å²	141.7	90%	0.895	75%	0.754	S	S	*	*			trans	11.9	115.4	153.5	53.8	0	0	0	0	117.8
164	G	38.5	Very low	33.2	Very low	70 Å²	70	145.3 Å²	145.3	72%	0.722	76%	0.755	S	S	*	*			trans	144.4	107.7	159.7	0	0	0	0	0	114
165	D	31.9	Very low	33.6	Very low	159 Å²	159	147.4 Å²	147.4	85%	0.85	75%	0.753	S	S	*	*			trans	-6.3	133.2	161.4	-63.4	-87.3	0	0	0	120.2
166	S	38.3	Very low	34.5	Very low	95 Å²	95	145.3 Å²	145.3	66%	0.664	74%	0.742	S	S	*	*			trans	81.9	106.5	146.7	-67.9	0	0	0	0	120.8
167	K	35.4	Very low	35	Very low	179 Å²	179	145.9 Å²	145.9	78%	0.778	75%	0.746	S	S	*	*				80.1	113.3	128.6	-67.7	171.3	-178.1	170.2	0	119.4
168	R	35.5	Very low	36.1	Very low	222 Å²	222	152 Å²	152	84%	0.838	76%	0.76	S	S	*	*			trans	88.4	106.6	145.4	-62.5	177.4	-154.7	170.3	6.2	118	H170	R168-H170 PolarHBondContact O-N 3.46Å
169	E	28	Very low	36.9	Very low	137 Å²	137	152.6 Å²	152.6	64%	0.64	75%	0.752	S	S	*	*			trans	-69.8	106.4	166.6	-58.7	-165.2	131.1	0	0	111.1
170	H	35.4	Very low	38	Very low	156 Å²	156	152.2 Å²	152.2	72%	0.722	75%	0.746	S	S	*	*			trans	-101.8	148.7	155.8	-103.7	-74.4	0	0	0	107.7	R168 Q172	R168-H170 PolarHBondContact O-N 3.46Å; H170-Q172 VanDerWaalsContact C-N 3.3Å; H170-Q172 WeakPolarHBondContact O-CG 3.49Å; H170-Q172 PolarHBondContact O-N 2.91Å
171	P	38.5	Very low	39.9	Very low	102 Å²	102	148.6 Å²	148.6	66%	0.662	72%	0.724	S	S	*	*			trans	-61.3	95.6	174.4	-12.4	26	0	0	0	108.1	R173	P171-R173 PolarHBondContact O-N 3.26Å
172	Q	40.7	Very low	42.1	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.762	70%	0.703	S	S	*	*			trans	-68.7	113.3	-168.7	-76.3	-159.2	-15.3	0	0	108.6	H170 Y174	H170-Q172 VanDerWaalsContact C-N 3.3Å; H170-Q172 WeakPolarHBondContact O-CG 3.49Å; H170-Q172 PolarHBondContact O-N 2.91Å; Q172-Y174 VanDerWaalsContact C-N 3.32Å; Q172-Y174 PolarHBondContact O-N 3.15Å
173	R	37.7	Very low	44.4	Very low	227 Å²	227	144.1 Å²	144.1	86%	0.857	69%	0.69	S	S	*	*			trans	-47.6	97.5	157	-74.5	173.4	163	165.8	-4.5	107.8	P171 Y175	P171-R173 PolarHBondContact O-N 3.26Å; R173-Y175 WeakPolarHBondContact O-CD1 3.46Å; R173-Y175 WeakPolarHBondContact O-CE1 3.23Å; R173-Y175 PolarHBondContact O-N 3.39Å; R173-Y175 VanDerWaalsContact O-N 3.12Å
174	Y	43.6	Very low	46.8	Very low	203 Å²	203	138.5 Å²	138.5	80%	0.796	65%	0.651	S	S	*	*			trans	-84.3	90.7	173	-148.5	-95.9	0	0	0	109.2	Q172 S176	Q172-Y174 VanDerWaalsContact C-N 3.32Å; Q172-Y174 PolarHBondContact O-N 3.15Å; Y174-S176 PolarHBondContact O-N 2.83Å
175	Y	39.7	Very low	48.8	Very low	149 Å²	149	140.5 Å²	140.5	58%	0.584	65%	0.649	S	S	*	*			trans	-76.9	107	169.3	48.2	-85.1	0	0	0	108	R173 T177	R173-Y175 WeakPolarHBondContact O-CD1 3.46Å; R173-Y175 WeakPolarHBondContact O-CE1 3.23Å; R173-Y175 PolarHBondContact O-N 3.39Å; R173-Y175 VanDerWaalsContact O-N 3.12Å; Y175-T177 HydrophobicContact CD2-CG2 3.69Å; Y175-T177 HydrophobicContact CE2-CG2 4.08Å; Y175-T177 PolarHBondContact O-N 2.83Å; Y175-T177 VanDerWaalsContact O-N 3.15Å
176	S	41.7	Very low	51	Low	71 Å²	71	139.3 Å²	139.3	50%	0.497	63%	0.634	S	S	.	*			trans	-75.6	107.7	166.8	-168.7	0	0	0	0	109.2	Y174 R178	Y174-S176 PolarHBondContact O-N 2.83Å; S176-R178 VanDerWaalsContact C-N 3.29Å; S176-R178 PolarHBondContact O-N 3.31Å
177	T	38.8	Very low	52.7	Low	109 Å²	109	138.5 Å²	138.5	67%	0.669	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	74.8	176.5	50.5	0	0	0	0	111.1	Y175	Y175-T177 HydrophobicContact CD2-CG2 3.69Å; Y175-T177 HydrophobicContact CE2-CG2 4.08Å; Y175-T177 PolarHBondContact O-N 2.83Å; Y175-T177 VanDerWaalsContact O-N 3.15Å
178	R	47.8	Very low	54.7	Low	247 Å²	247	138.2 Å²	138.2	93%	0.932	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-175.4	-16.7	148.7	-112.7	175	-172	-160.4	1.4	115.6	S176	S176-R178 VanDerWaalsContact C-N 3.29Å; S176-R178 PolarHBondContact O-N 3.31Å
179	R	48.7	Very low	56.8	Low	197 Å²	197	128.7 Å²	128.7	74%	0.743	61%	0.607	S	S	*	*	S	Bend	trans	-155.4	117.5	155.4	-80.1	-166.6	172.7	-166.2	-2.9	105.9	H181	R179-H181 VanDerWaalsContact CB-NE2 3.33Å; R179-H181 WeakPolarHBondContact CB-NE2 3.34Å; R179-H181 PolarHBondContact O-CD2 3.46Å; R179-H181 VanDerWaalsContact O-CD2 3.32Å; R179-H181 PolarHBondContact O-N 3.06Å
180	R	51.2	Low	59.3	Low	180 Å²	180	125.3 Å²	125.3	68%	0.679	61%	0.609	S	S	*	*			trans	-75	89.2	-175.3	-76.4	179	171.3	158.7	-3.4	109.9
181	H	71.7	Confident	61.5	Low	81 Å²	81	123.1 Å²	123.1	38%	0.375	60%	0.597	S	S	.	*			trans	-96.5	138.3	170.9	-60.1	-73.1	0	0	0	110.4	R179 Y193	R179-H181 VanDerWaalsContact CB-NE2 3.33Å; R179-H181 WeakPolarHBondContact CB-NE2 3.34Å; R179-H181 PolarHBondContact O-CD2 3.46Å; R179-H181 VanDerWaalsContact O-CD2 3.32Å; R179-H181 PolarHBondContact O-N 3.06Å; H181-Y193 CarbonylContact C-O 3.58Å; H181-Y193 VanDerWaalsContact CA-O 3.23Å; H181-Y193 WeakPolarHBondContact CA-O 3.49Å
182	Y	75.5	Confident	63.5	Low	98 Å²	98	122.3 Å²	122.3	38%	0.384	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.6	113.4	174.3	-64.5	-86.9	0	0	0	108.8	T192 Y193 S196	Y182-T192 CarbonylContact O-C 3.59Å; Y182-T192 WeakPolarHBondContact O-CA 3.33Å; Y182-Y193 PolarHBondContact N-O 3.1Å; Y182-Y193 PolarHBondContact O-N 3.45Å; Y182-S196 VanDerWaalsContact CE1-CB 3.48Å
183	A	81.6	Confident	65.3	Low	53 Å²	53	117.1 Å²	117.1	44%	0.438	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	143.8	-178	0	0	0	0	0	112.3	K191 T192 L199	A183-K191 CarbonylContact C-O 3.55Å; A183-T192 HydrophobicContact CB-CG2 3.93Å; A183-L199 VanDerWaalsContact O-CD2 3.27Å; A183-L199 WeakPolarHBondContact O-CD2 3.24Å
184	C	83.5	Confident	67.3	Low	11 Å²	11	110.5 Å²	110.5	7%	0.074	55%	0.549	C	S	.	.			trans	-73.6	129.7	168.3	-172.4	0	0	0	0	110	C189 K191 L199 H202 H206	C184-C189 HydrophobicContact CB-CB 4.12Å; C184-K191 HydrophobicContact CB-CB 4.48Å; C184-K191 PolarHBondContact N-O 2.96Å; C184-L199 HydrophobicContact CB-CD1 4Å; C184-H202 WeakPolarHBondContact CB-NE2 3.42Å; C184-H202 PolarHBondContact SG-NE2 3.4Å; C184-H206 PolarHBondContact SG-NE2 3.33Å
185	T	79.6	Confident	68.8	Low	112 Å²	112	106.6 Å²	106.6	69%	0.687	54%	0.536	S	S	*	.			trans	-88.1	-4.3	-179.3	54.7	0	0	0	0	113.3	A187 F203	T185-A187 PolarHBondContact O-N 3Å; T185-F203 WeakPolarHBondContact OG1-CE1 3.27Å; T185-F203 WeakPolarHBondContact OG1-CZ 3.44Å
186	Y	78.6	Confident	70.7	Confident	134 Å²	134	102.5 Å²	102.5	53%	0.525	53%	0.53	S	S	.	.	S	Bend	trans	-68	127.7	177.6	-140.5	-91.3	0	0	0	109.8	D188 C189 H206	Y186-D188 PolarHBondContact O-N 2.98Å; Y186-C189 WeakPolarHBondContact O-CB 3.37Å; Y186-C189 PolarHBondContact O-N 3.44Å; Y186-H206 AromaticContact CD1-CE1 3.83Å; Y186-H206 AromaticContact CD1-ND1 3.5Å; Y186-H206 HydrophobicContact CD2-CB 3.77Å; Y186-H206 AromaticContact CD2-CG 3.72Å; Y186-H206 AromaticContact CD2-ND1 3.79Å; Y186-H206 AromaticContact CE1-ND1 3.94Å; Y186-H206 HydrophobicContact CE2-CB 3.85Å; Y186-H206 HydrophobicContact CG-CB 4.31Å; Y186-H206 AromaticContact CG-CE1 3.73Å; Y186-H206 AromaticContact CG-CG 3.76Å; Y186-H206 AromaticContact CG-ND1 3.42Å
187	A	72.7	Confident	72.4	Confident	77 Å²	77	102.4 Å²	102.4	64%	0.636	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	135.1	172.5	0	0	0	0	0	109.1	T185 C189	T185-A187 PolarHBondContact O-N 3Å; A187-C189 VanDerWaalsContact C-N 3.31Å; A187-C189 PolarHBondContact O-N 3.44Å
188	D	78.3	Confident	74.4	Confident	173 Å²	173	101.3 Å²	101.3	93%	0.925	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-2.5	-176.3	-46.4	-36.1	0	0	0	117.7	Y186	Y186-D188 PolarHBondContact O-N 2.98Å
189	C	79	Confident	75.9	Confident	22 Å²	22	90.5 Å²	90.5	15%	0.149	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-52.5	177.9	-171.2	0	0	0	0	112.7	C184 Y186 A187 K191 H202 H206	C184-C189 HydrophobicContact CB-CB 4.12Å; Y186-C189 WeakPolarHBondContact O-CB 3.37Å; Y186-C189 PolarHBondContact O-N 3.44Å; A187-C189 VanDerWaalsContact C-N 3.31Å; A187-C189 PolarHBondContact O-N 3.44Å; C189-K191 PolarHBondContact O-N 2.97Å; C189-K191 VanDerWaalsContact SG-CD 3.55Å; C189-K191 VanDerWaalsContact SG-CG 3.51Å; C189-H202 PolarHBondContact SG-CE1 3.03Å; C189-H202 PolarHBondContact SG-NE2 3.36Å; C189-H206 PolarHBondContact SG-NE2 2.71Å; C189-H206 VanDerWaalsContact SG-NE2 3.4Å
190	G	80.2	Confident	77.4	Confident	67 Å²	67	87.9 Å²	87.9	69%	0.691	47%	0.471	S	S	*	.			trans	59.1	4.4	-179.4	0	0	0	0	0	115.8
191	K	82	Confident	78.6	Confident	109 Å²	109	80 Å²	80	47%	0.474	44%	0.444	S	S	.	.			trans	-74.2	135	-174.4	-70.4	177.7	-166.9	167.2	0	111.2	A183 C184 C189 Y193	A183-K191 CarbonylContact C-O 3.55Å; C184-K191 HydrophobicContact CB-CB 4.48Å; C184-K191 PolarHBondContact N-O 2.96Å; C189-K191 PolarHBondContact O-N 2.97Å; C189-K191 VanDerWaalsContact SG-CD 3.55Å; C189-K191 VanDerWaalsContact SG-CG 3.51Å; K191-Y193 HydrophobicContact CB-CE2 3.76Å
192	T	81.6	Confident	79.1	Confident	85 Å²	85	76.6 Å²	76.6	52%	0.521	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.5	176.4	63.8	0	0	0	0	110.8	Y182 A183	Y182-T192 CarbonylContact O-C 3.59Å; Y182-T192 WeakPolarHBondContact O-CA 3.33Å; A183-T192 HydrophobicContact CB-CG2 3.93Å
193	Y	79	Confident	79.3	Confident	54 Å²	54	74.9 Å²	74.9	21%	0.212	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.5	-173.5	-66.2	-83.3	0	0	0	110.1	H181 Y182 K191 K195 H198 L199 H202	H181-Y193 CarbonylContact C-O 3.58Å; H181-Y193 VanDerWaalsContact CA-O 3.23Å; H181-Y193 WeakPolarHBondContact CA-O 3.49Å; Y182-Y193 PolarHBondContact N-O 3.1Å; Y182-Y193 PolarHBondContact O-N 3.45Å; K191-Y193 HydrophobicContact CB-CE2 3.76Å; Y193-K195 VanDerWaalsContact C-N 3.29Å; Y193-K195 PolarHBondContact O-N 2.83Å; Y193-H198 HydrophobicContact CD1-CB 3.58Å; Y193-H198 HydrophobicContact CE1-CB 4.39Å; Y193-H198 HydrophobicContact CG-CB 3.99Å; Y193-L199 HydrophobicContact CD2-CB 4.01Å; Y193-L199 HydrophobicContact CD2-CD1 3.77Å; Y193-L199 HydrophobicContact CE2-CD1 4.15Å; Y193-L199 HydrophobicContact CG-CB 4.37Å; Y193-H202 HydrophobicContact CD2-CB 4.42Å; Y193-H202 HydrophobicContact CE1-CB 4.27Å; Y193-H202 HydrophobicContact CE2-CB 3.56Å; Y193-H202 AromaticContact CE2-CD2 3.4Å; Y193-H202 WeakPolarHBondContact CE2-CD2 3.41Å; Y193-H202 AromaticContact CE2-CG 3.45Å; Y193-H202 VanDerWaalsContact CE2-CG 3.45Å; Y193-H202 VanDerWaalsContact CZ-CB 3.46Å; Y193-H202 AromaticContact CZ-CD2 3.91Å; Y193-H202 AromaticContact CZ-CG 3.49Å; Y193-H202 VanDerWaalsContact CZ-CG 3.49Å; Y193-H202 WeakPolarHBondContact OH-CB 3.46Å; Y193-H202 PolarHBondContact OH-ND1 3.4Å
194	T	79.4	Confident	79.2	Confident	89 Å²	89	74.7 Å²	74.7	55%	0.546	41%	0.411	S	S	.	.	S	Bend	trans	-76.1	-18.8	175.9	48.5	0	0	0	0	113.4
195	K	75	Confident	79	Confident	120 Å²	120	78.4 Å²	78.4	52%	0.522	43%	0.434	S	S	.	.	S	Bend	trans	-124.3	138.3	-177.2	-62.1	-175	179.7	-176.9	0	110.6	Y193 S197 H198 L199	Y193-K195 VanDerWaalsContact C-N 3.29Å; Y193-K195 PolarHBondContact O-N 2.83Å; K195-S197 VanDerWaalsContact C-N 3.27Å; K195-S197 PolarHBondContact O-N 3.3Å; K195-H198 HydrophobicContact CB-CB 4.42Å; K195-H198 WeakPolarHBondContact O-CB 3.5Å; K195-H198 PolarHBondContact O-N 2.88Å; K195-H198 VanDerWaalsContact O-N 3.13Å; K195-L199 PolarHBondContact O-N 2.79Å
196	S	78.9	Confident	78.9	Confident	64 Å²	64	75.8 Å²	75.8	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-60.4	-38.4	176.4	52.9	0	0	0	0	111.5	Y182 H198 L199 K200	Y182-S196 VanDerWaalsContact CE1-CB 3.48Å; S196-H198 VanDerWaalsContact C-N 3.26Å; S196-H198 PolarHBondContact O-N 3.21Å; S196-L199 PolarHBondContact O-N 2.58Å; S196-L199 VanDerWaalsContact O-N 3.12Å; S196-K200 PolarHBondContact O-N 2.86Å
197	S	78.1	Confident	78.9	Confident	69 Å²	69	73.5 Å²	73.5	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-59.1	-37.3	176.3	58.1	0	0	0	0	112.4	K195 A201	K195-S197 VanDerWaalsContact C-N 3.27Å; K195-S197 PolarHBondContact O-N 3.3Å; S197-A201 WeakPolarHBondContact O-CB 3.36Å; S197-A201 PolarHBondContact O-N 3.2Å
198	H	80	Confident	79.1	Confident	85 Å²	85	72.2 Å²	72.2	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-39.2	175.9	-64.9	-176.7	0	0	0	111.4	Y193 K195 S196 H202	Y193-H198 HydrophobicContact CD1-CB 3.58Å; Y193-H198 HydrophobicContact CE1-CB 4.39Å; Y193-H198 HydrophobicContact CG-CB 3.99Å; K195-H198 HydrophobicContact CB-CB 4.42Å; K195-H198 WeakPolarHBondContact O-CB 3.5Å; K195-H198 PolarHBondContact O-N 2.88Å; K195-H198 VanDerWaalsContact O-N 3.13Å; S196-H198 VanDerWaalsContact C-N 3.26Å; S196-H198 PolarHBondContact O-N 3.21Å; H198-H202 VanDerWaalsContact O-CB 3.27Å; H198-H202 WeakPolarHBondContact O-CB 3.28Å; H198-H202 PolarHBondContact O-N 3.26Å
199	L	80.4	Confident	79.1	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.105	39%	0.389	C	S	.	.	H	α-helix	trans	-63.8	-45.7	173.5	177.8	64.4	0	0	0	111.3	A183 C184 Y193 K195 S196 A201 H202 F203	A183-L199 VanDerWaalsContact O-CD2 3.27Å; A183-L199 WeakPolarHBondContact O-CD2 3.24Å; C184-L199 HydrophobicContact CB-CD1 4Å; Y193-L199 HydrophobicContact CD2-CB 4.01Å; Y193-L199 HydrophobicContact CD2-CD1 3.77Å; Y193-L199 HydrophobicContact CE2-CD1 4.15Å; Y193-L199 HydrophobicContact CG-CB 4.37Å; K195-L199 PolarHBondContact O-N 2.79Å; S196-L199 PolarHBondContact O-N 2.58Å; S196-L199 VanDerWaalsContact O-N 3.12Å; L199-A201 PolarHBondContact O-N 3.15Å; L199-H202 CarbonylContact O-C 3.58Å; L199-H202 WeakPolarHBondContact O-CA 3.48Å; L199-H202 WeakPolarHBondContact O-CB 3.44Å; L199-H202 PolarHBondContact O-N 3.42Å; L199-F203 HydrophobicContact CD1-CD2 4.02Å; L199-F203 HydrophobicContact CD1-CE2 3.69Å; L199-F203 HydrophobicContact CD1-CZ 4.23Å; L199-F203 HydrophobicContact CD2-CD2 4.4Å; L199-F203 HydrophobicContact CD2-CE2 3.66Å; L199-F203 HydrophobicContact CD2-CZ 4.45Å; L199-F203 HydrophobicContact CG-CD2 3.76Å; L199-F203 HydrophobicContact CG-CE2 3.47Å; L199-F203 VanDerWaalsContact CG-CE2 3.47Å; L199-F203 HydrophobicContact CG-CZ 4.41Å; L199-F203 VanDerWaalsContact O-CD2 3.32Å; L199-F203 WeakPolarHBondContact O-CD2 3.47Å; L199-F203 PolarHBondContact O-N 3.31Å
200	K	78.6	Confident	79.2	Confident	143 Å²	143	74.2 Å²	74.2	62%	0.622	41%	0.407	S	S	*	.	H	α-helix	trans	-60.3	-44.9	177.1	-170.3	172.9	-173.8	174	0	111.5	S196 H202 F203 R204	S196-K200 PolarHBondContact O-N 2.86Å; K200-H202 VanDerWaalsContact C-N 3.27Å; K200-H202 PolarHBondContact O-N 3.13Å; K200-F203 PolarHBondContact O-N 3.38Å; K200-R204 PolarHBondContact O-N 2.88Å
201	A	78	Confident	79.3	Confident	15 Å²	15	74.4 Å²	74.4	12%	0.124	40%	0.397	C	S	.	.	H	α-helix	trans	-62.3	-35.3	173.6	0	0	0	0	0	112.8	S197 L199 R204 R225	S197-A201 WeakPolarHBondContact O-CB 3.36Å; S197-A201 PolarHBondContact O-N 3.2Å; L199-A201 PolarHBondContact O-N 3.15Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R225 HydrophobicContact CB-CG 3.8Å
202	H	82	Confident	79.3	Confident	9 Å²	9	72.9 Å²	72.9	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-70.9	-38.6	174	168.9	56.9	0	0	0	112.4	C184 C189 Y193 H198 L199 K200 R204 T205 H206	C184-H202 WeakPolarHBondContact CB-NE2 3.42Å; C184-H202 PolarHBondContact SG-NE2 3.4Å; C189-H202 PolarHBondContact SG-CE1 3.03Å; C189-H202 PolarHBondContact SG-NE2 3.36Å; Y193-H202 HydrophobicContact CD2-CB 4.42Å; Y193-H202 HydrophobicContact CE1-CB 4.27Å; Y193-H202 HydrophobicContact CE2-CB 3.56Å; Y193-H202 AromaticContact CE2-CD2 3.4Å; Y193-H202 WeakPolarHBondContact CE2-CD2 3.41Å; Y193-H202 AromaticContact CE2-CG 3.45Å; Y193-H202 VanDerWaalsContact CE2-CG 3.45Å; Y193-H202 VanDerWaalsContact CZ-CB 3.46Å; Y193-H202 AromaticContact CZ-CD2 3.91Å; Y193-H202 AromaticContact CZ-CG 3.49Å; Y193-H202 VanDerWaalsContact CZ-CG 3.49Å; Y193-H202 WeakPolarHBondContact OH-CB 3.46Å; Y193-H202 PolarHBondContact OH-ND1 3.4Å; H198-H202 VanDerWaalsContact O-CB 3.27Å; H198-H202 WeakPolarHBondContact O-CB 3.28Å; H198-H202 PolarHBondContact O-N 3.26Å; L199-H202 CarbonylContact O-C 3.58Å; L199-H202 WeakPolarHBondContact O-CA 3.48Å; L199-H202 WeakPolarHBondContact O-CB 3.44Å; L199-H202 PolarHBondContact O-N 3.42Å; K200-H202 VanDerWaalsContact C-N 3.27Å; K200-H202 PolarHBondContact O-N 3.13Å; H202-R204 PolarHBondContact O-N 3.31Å; H202-T205 PolarHBondContact ND1-OG1 3.49Å; H202-T205 WeakPolarHBondContact O-CA 3.21Å; H202-T205 VanDerWaalsContact O-CB 3.27Å; H202-T205 WeakPolarHBondContact O-CB 3.41Å; H202-T205 PolarHBondContact O-N 2.91Å; H202-T205 PolarHBondContact O-OG1 3.21Å; H202-H206 AromaticContact CE1-CD2 3.7Å; H202-H206 AromaticContact CE1-NE2 3.21Å; H202-H206 PolarHBondContact CE1-NE2 3.08Å; H202-H206 AromaticContact NE2-CD2 3.61Å; H202-H206 AromaticContact NE2-NE2 3.15Å; H202-H206 PolarHBondContact NE2-NE2 3.44Å; H202-H206 VanDerWaalsContact NE2-NE2 3.15Å
203	F	78.4	Confident	79.5	Confident	61 Å²	61	73.1 Å²	73.1	27%	0.268	38%	0.384	S	S	.	.	H	α-helix	trans	-56.6	-35.6	174.2	-85.9	-63.1	0	0	0	112.4	T185 L199 K200 T205 H206 T207	T185-F203 WeakPolarHBondContact OG1-CE1 3.27Å; T185-F203 WeakPolarHBondContact OG1-CZ 3.44Å; L199-F203 HydrophobicContact CD1-CD2 4.02Å; L199-F203 HydrophobicContact CD1-CE2 3.69Å; L199-F203 HydrophobicContact CD1-CZ 4.23Å; L199-F203 HydrophobicContact CD2-CD2 4.4Å; L199-F203 HydrophobicContact CD2-CE2 3.66Å; L199-F203 HydrophobicContact CD2-CZ 4.45Å; L199-F203 HydrophobicContact CG-CD2 3.76Å; L199-F203 HydrophobicContact CG-CE2 3.47Å; L199-F203 VanDerWaalsContact CG-CE2 3.47Å; L199-F203 HydrophobicContact CG-CZ 4.41Å; L199-F203 VanDerWaalsContact O-CD2 3.32Å; L199-F203 WeakPolarHBondContact O-CD2 3.47Å; L199-F203 PolarHBondContact O-N 3.31Å; K200-F203 PolarHBondContact O-N 3.38Å; F203-T205 PolarHBondContact O-N 3.07Å; F203-T205 VanDerWaalsContact O-N 3.1Å; F203-H206 WeakPolarHBondContact O-CA 3.47Å; F203-H206 WeakPolarHBondContact O-CB 3.43Å; F203-H206 PolarHBondContact O-N 3.23Å; F203-T207 PolarHBondContact O-N 3.12Å
204	R	79.3	Confident	80	Confident	49 Å²	49	71.1 Å²	71.1	19%	0.185	38%	0.377	C	S	.	.	H	α-helix	trans	-59	-21.7	172.7	-66.7	178.8	177.9	162.3	-1.3	114	K200 A201 H202 H206 T207 G208 E209 Y212 A224	K200-R204 PolarHBondContact O-N 2.88Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; H202-R204 PolarHBondContact O-N 3.31Å; R204-H206 VanDerWaalsContact C-N 3.34Å; R204-T207 WeakPolarHBondContact CA-OG1 3.36Å; R204-G208 WeakPolarHBondContact O-CA 3.21Å; R204-G208 PolarHBondContact O-N 3.43Å; R204-E209 HydrophobicContact CG-CB 4.28Å; R204-E209 PolarHBondContact O-N 3.17Å; R204-Y212 VanDerWaalsContact NH1-CE2 3.31Å; R204-A224 HydrophobicContact CB-CB 3.9Å; R204-A224 WeakPolarHBondContact CD-O 3.27Å; R204-A224 PolarHBondContact NH1-O 3.3Å
205	T	79.1	Confident	80.3	Confident	90 Å²	90	75.6 Å²	75.6	55%	0.552	39%	0.389	S	S	*	.	H	α-helix	trans	-76.1	-23.1	173.5	71.4	0	0	0	0	113	H202 F203	H202-T205 PolarHBondContact ND1-OG1 3.49Å; H202-T205 WeakPolarHBondContact O-CA 3.21Å; H202-T205 VanDerWaalsContact O-CB 3.27Å; H202-T205 WeakPolarHBondContact O-CB 3.41Å; H202-T205 PolarHBondContact O-N 2.91Å; H202-T205 PolarHBondContact O-OG1 3.21Å; F203-T205 PolarHBondContact O-N 3.07Å; F203-T205 VanDerWaalsContact O-N 3.1Å
206	H	79.3	Confident	80.7	Confident	57 Å²	57	76.3 Å²	76.3	26%	0.264	39%	0.389	S	S	.	.	H	α-helix	trans	-86.3	-44.3	172.3	-69.2	-73	0	0	0	111.6	C184 Y186 C189 H202 F203 R204 G208	C184-H206 PolarHBondContact SG-NE2 3.33Å; Y186-H206 AromaticContact CD1-CE1 3.83Å; Y186-H206 AromaticContact CD1-ND1 3.5Å; Y186-H206 HydrophobicContact CD2-CB 3.77Å; Y186-H206 AromaticContact CD2-CG 3.72Å; Y186-H206 AromaticContact CD2-ND1 3.79Å; Y186-H206 AromaticContact CE1-ND1 3.94Å; Y186-H206 HydrophobicContact CE2-CB 3.85Å; Y186-H206 HydrophobicContact CG-CB 4.31Å; Y186-H206 AromaticContact CG-CE1 3.73Å; Y186-H206 AromaticContact CG-CG 3.76Å; Y186-H206 AromaticContact CG-ND1 3.42Å; C189-H206 PolarHBondContact SG-NE2 2.71Å; C189-H206 VanDerWaalsContact SG-NE2 3.4Å; H202-H206 AromaticContact CE1-CD2 3.7Å; H202-H206 AromaticContact CE1-NE2 3.21Å; H202-H206 PolarHBondContact CE1-NE2 3.08Å; H202-H206 AromaticContact NE2-CD2 3.61Å; H202-H206 AromaticContact NE2-NE2 3.15Å; H202-H206 PolarHBondContact NE2-NE2 3.44Å; H202-H206 VanDerWaalsContact NE2-NE2 3.15Å; F203-H206 WeakPolarHBondContact O-CA 3.47Å; F203-H206 WeakPolarHBondContact O-CB 3.43Å; F203-H206 PolarHBondContact O-N 3.23Å; R204-H206 VanDerWaalsContact C-N 3.34Å; H206-G208 VanDerWaalsContact C-N 3.28Å; H206-G208 PolarHBondContact O-N 3.3Å
207	T	77.3	Confident	80.9	Confident	86 Å²	86	82.2 Å²	82.2	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-75.1	-18.3	-179.8	63.2	0	0	0	0	113.1	F203 R204 E209	F203-T207 PolarHBondContact O-N 3.12Å; R204-T207 WeakPolarHBondContact CA-OG1 3.36Å; T207-E209 PolarHBondContact O-N 2.9Å; T207-E209 WeakPolarHBondContact OG1-CG 3.4Å; T207-E209 PolarHBondContact OG1-N 3.37Å
208	G	76.9	Confident	81.2	Confident	49 Å²	49	82.4 Å²	82.4	51%	0.505	42%	0.422	S	S	.	.			trans	75.7	4	-176.2	0	0	0	0	0	113.8	R204 H206 K210	R204-G208 WeakPolarHBondContact O-CA 3.21Å; R204-G208 PolarHBondContact O-N 3.43Å; H206-G208 VanDerWaalsContact C-N 3.28Å; H206-G208 PolarHBondContact O-N 3.3Å; G208-K210 PolarHBondContact O-N 3.44Å
209	E	77.7	Confident	81.5	Confident	115 Å²	115	79 Å²	79	54%	0.537	41%	0.407	S	S	.	.			trans	-64.4	130.3	178.9	-73.1	-179.2	176.6	0	0	111.7	R204 T207	R204-E209 HydrophobicContact CG-CB 4.28Å; R204-E209 PolarHBondContact O-N 3.17Å; T207-E209 PolarHBondContact O-N 2.9Å; T207-E209 WeakPolarHBondContact OG1-CG 3.4Å; T207-E209 PolarHBondContact OG1-N 3.37Å
210	K	82.2	Confident	81.7	Confident	122 Å²	122	84.9 Å²	84.9	53%	0.53	44%	0.439	S	S	.	.			trans	-131	80.5	179.4	-67.1	171.7	175.8	-167.6	0	110.4	G208 Y212 K222 F223	G208-K210 PolarHBondContact O-N 3.44Å; K210-Y212 PolarHBondContact O-N 3.2Å; K210-K222 HydrophobicContact CB-CB 3.66Å; K210-K222 HydrophobicContact CD-CB 4.01Å; K210-K222 WeakPolarHBondContact CD-O 3.49Å; K210-K222 HydrophobicContact CG-CB 4.46Å; K210-F223 CarbonylContact C-O 3.58Å; K210-F223 VanDerWaalsContact CA-O 3.32Å; K210-F223 WeakPolarHBondContact CA-O 3.47Å
211	P	81.5	Confident	82.1	Confident	72 Å²	72	84.3 Å²	84.3	47%	0.468	43%	0.433	S	S	.	.			trans	-69.5	-20.5	-175.4	-20.1	34	0	0	0	113.8
212	Y	83.3	Confident	82.5	Confident	76 Å²	76	88.7 Å²	88.7	30%	0.298	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	106.6	-173.2	-55.6	-76.9	0	0	0	110.4	R204 K210 K222 F223 A224 R225 S226	R204-Y212 VanDerWaalsContact NH1-CE2 3.31Å; K210-Y212 PolarHBondContact O-N 3.2Å; Y212-K222 CarbonylContact O-C 3.42Å; Y212-K222 WeakPolarHBondContact O-CA 3.44Å; Y212-F223 WeakPolarHBondContact CB-O 3.5Å; Y212-F223 WeakPolarHBondContact CD2-O 3.32Å; Y212-F223 PolarHBondContact N-O 2.83Å; Y212-F223 VanDerWaalsContact N-O 3.08Å; Y212-F223 PolarHBondContact O-N 2.78Å; Y212-A224 WeakPolarHBondContact CE2-O 3.5Å; Y212-R225 VanDerWaalsContact CE2-C 3.5Å; Y212-S226 VanDerWaalsContact CE2-N 3.35Å
213	E	85.9	Confident	82.6	Confident	91 Å²	91	89.1 Å²	89.1	43%	0.425	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.7	178.5	62	-173.3	-168.8	0	0	112.4	K222	E213-K222 HydrophobicContact CB-CD 4.41Å; E213-K222 HydrophobicContact CB-CG 3.97Å; E213-K222 IonicContact OE2-NZ 3.28Å
214	C	88.3	Confident	82.6	Confident	11 Å²	11	87.1 Å²	87.1	7%	0.074	45%	0.446	C	S	.	.			trans	-72.8	126.2	167.9	-168.9	0	0	0	0	108.9	C219 W221 L229 H232	C214-C219 HydrophobicContact CB-CB 4.26Å; C214-W221 HydrophobicContact CB-CB 4.49Å; C214-W221 WeakPolarHBondContact CB-O 2.93Å; C214-W221 PolarHBondContact N-O 3.38Å; C214-L229 HydrophobicContact CB-CD1 4.22Å; C214-H232 VanDerWaalsContact SG-CD2 3.59Å; C214-H232 PolarHBondContact SG-NE2 3.36Å
215	K	86.3	Confident	82.5	Confident	183 Å²	183	89.5 Å²	89.5	80%	0.796	46%	0.455	S	S	*	.			trans	-96.2	13	177.4	-62.9	-173	175.6	-175.8	0	112.9
216	W	82.7	Confident	82.7	Confident	136 Å²	136	88.3 Å²	88.3	52%	0.515	45%	0.45	S	S	.	.	S	Bend	trans	-79.1	133.9	178.5	-164.2	-78.4	0	0	0	110.1	G218 C219 H236	W216-G218 PolarHBondContact O-N 2.88Å; W216-C219 HydrophobicContact CB-CB 4.12Å; W216-C219 WeakPolarHBondContact O-CB 3.49Å; W216-C219 PolarHBondContact O-N 2.84Å; W216-H236 AromaticContact CD1-CE1 3.73Å; W216-H236 AromaticContact CD1-ND1 3.38Å; W216-H236 HydrophobicContact CD2-CB 3.73Å; W216-H236 AromaticContact CD2-CG 3.71Å; W216-H236 AromaticContact CD2-ND1 3.58Å; W216-H236 AromaticContact CE2-ND1 3.83Å; W216-H236 HydrophobicContact CE3-CB 3.64Å; W216-H236 HydrophobicContact CG-CB 4.31Å; W216-H236 AromaticContact CG-CE1 3.66Å; W216-H236 AromaticContact CG-CG 3.75Å; W216-H236 AromaticContact CG-ND1 3.3Å; W216-H236 VanDerWaalsContact CG-ND1 3.3Å; W216-H236 HydrophobicContact CH2-CB 4.25Å; W216-H236 HydrophobicContact CZ2-CB 4.34Å; W216-H236 HydrophobicContact CZ3-CB 3.91Å; W216-H236 AromaticContact NE1-ND1 3.7Å
217	E	84.3	Confident	82.7	Confident	187 Å²	187	89.2 Å²	89.2	87%	0.874	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	126	-178.4	-64.6	-162.6	153.4	0	0	112
218	G	84.6	Confident	83.1	Confident	74 Å²	74	87.2 Å²	87.2	76%	0.763	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	10.4	-174.9	0	0	0	0	0	114.9	W216	W216-G218 PolarHBondContact O-N 2.88Å
219	C	84.7	Confident	83.6	Confident	12 Å²	12	86.3 Å²	86.3	8%	0.081	43%	0.425	C	S	.	.			trans	-120.4	99.4	174.8	-160.6	0	0	0	0	113.4	C214 W216 W221 H232 H236	C214-C219 HydrophobicContact CB-CB 4.26Å; W216-C219 HydrophobicContact CB-CB 4.12Å; W216-C219 WeakPolarHBondContact O-CB 3.49Å; W216-C219 PolarHBondContact O-N 2.84Å; C219-W221 PolarHBondContact O-N 2.88Å; C219-H232 PolarHBondContact SG-CE1 2.85Å; C219-H232 PolarHBondContact SG-NE2 3.48Å; C219-H236 PolarHBondContact SG-NE2 3.35Å
220	D	85.9	Confident	84	Confident	145 Å²	145	84.4 Å²	84.4	78%	0.775	42%	0.422	S	S	*	.			trans	-91.1	27.8	179.7	-48.2	-48.4	0	0	0	112.9	K222	D220-K222 PolarHBondContact O-N 2.99Å
221	W	86.2	Confident	84.1	Confident	130 Å²	130	82.8 Å²	82.8	49%	0.492	41%	0.412	S	S	.	.			trans	-80.6	123.8	-174.6	-80	41.1	0	0	0	111	C214 C219 F223 H232	C214-W221 HydrophobicContact CB-CB 4.49Å; C214-W221 WeakPolarHBondContact CB-O 2.93Å; C214-W221 PolarHBondContact N-O 3.38Å; C219-W221 PolarHBondContact O-N 2.88Å; W221-F223 HydrophobicContact CB-CE2 3.93Å; W221-F223 HydrophobicContact CB-CZ 3.71Å; W221-F223 HydrophobicContact CD2-CZ 4.45Å; W221-F223 AromaticContact CE3-CE1 3.9Å; W221-F223 HydrophobicContact CE3-CE1 3.9Å; W221-F223 AromaticContact CE3-CZ 3.77Å; W221-F223 HydrophobicContact CE3-CZ 3.77Å; W221-F223 HydrophobicContact CG-CZ 4.49Å; W221-H232 AromaticContact CD2-CE1 3.88Å; W221-H232 AromaticContact CE3-CE1 3.92Å; W221-H232 AromaticContact CE3-ND1 3.78Å; W221-H232 AromaticContact CG-CE1 3.82Å
222	K	87.4	Confident	84.5	Confident	108 Å²	108	80 Å²	80	47%	0.47	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	145	176.5	-51.8	-168.7	177.3	-165.6	0	111.5	K210 Y212 E213 D220	K210-K222 HydrophobicContact CB-CB 3.66Å; K210-K222 HydrophobicContact CD-CB 4.01Å; K210-K222 WeakPolarHBondContact CD-O 3.49Å; K210-K222 HydrophobicContact CG-CB 4.46Å; Y212-K222 CarbonylContact O-C 3.42Å; Y212-K222 WeakPolarHBondContact O-CA 3.44Å; E213-K222 HydrophobicContact CB-CD 4.41Å; E213-K222 HydrophobicContact CB-CG 3.97Å; E213-K222 IonicContact OE2-NZ 3.28Å; D220-K222 PolarHBondContact O-N 2.99Å
223	F	83.1	Confident	84.7	Confident	17 Å²	17	79.5 Å²	79.5	8%	0.075	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147	-172.6	-53.6	-75.2	0	0	0	111.6	K210 Y212 W221 R225 E228 L229 H232	K210-F223 CarbonylContact C-O 3.58Å; K210-F223 VanDerWaalsContact CA-O 3.32Å; K210-F223 WeakPolarHBondContact CA-O 3.47Å; Y212-F223 WeakPolarHBondContact CB-O 3.5Å; Y212-F223 WeakPolarHBondContact CD2-O 3.32Å; Y212-F223 PolarHBondContact N-O 2.83Å; Y212-F223 VanDerWaalsContact N-O 3.08Å; Y212-F223 PolarHBondContact O-N 2.78Å; W221-F223 HydrophobicContact CB-CE2 3.93Å; W221-F223 HydrophobicContact CB-CZ 3.71Å; W221-F223 HydrophobicContact CD2-CZ 4.45Å; W221-F223 AromaticContact CE3-CE1 3.9Å; W221-F223 HydrophobicContact CE3-CE1 3.9Å; W221-F223 AromaticContact CE3-CZ 3.77Å; W221-F223 HydrophobicContact CE3-CZ 3.77Å; W221-F223 HydrophobicContact CG-CZ 4.49Å; F223-R225 VanDerWaalsContact C-N 3.34Å; F223-E228 HydrophobicContact CB-CB 4.06Å; F223-E228 HydrophobicContact CB-CG 4.08Å; F223-E228 HydrophobicContact CD1-CB 4.07Å; F223-E228 HydrophobicContact CD1-CG 3.18Å; F223-E228 HydrophobicContact CE1-CG 3.76Å; F223-E228 HydrophobicContact CG-CB 4.2Å; F223-E228 HydrophobicContact CG-CG 3.81Å; F223-L229 HydrophobicContact CD2-CB 3.81Å; F223-L229 HydrophobicContact CD2-CD1 3.74Å; F223-L229 HydrophobicContact CD2-CG 4.38Å; F223-L229 HydrophobicContact CE2-CB 4.48Å; F223-L229 HydrophobicContact CE2-CD1 3.81Å; F223-L229 HydrophobicContact CG-CB 4.44Å; F223-H232 HydrophobicContact CE1-CB 4.12Å; F223-H232 HydrophobicContact CE2-CB 3.64Å; F223-H232 AromaticContact CE2-CD2 3.57Å; F223-H232 AromaticContact CE2-CG 3.55Å; F223-H232 HydrophobicContact CZ-CB 3.32Å; F223-H232 AromaticContact CZ-CD2 3.7Å; F223-H232 AromaticContact CZ-CG 3.23Å; F223-H232 AromaticContact CZ-ND1 3.5Å
224	A	78.4	Confident	84.7	Confident	19 Å²	19	78.5 Å²	78.5	16%	0.157	39%	0.387	C	S	.	.	S	Bend	trans	-79.5	-18.7	177.4	0	0	0	0	0	113.1	R204 Y212	R204-A224 HydrophobicContact CB-CB 3.9Å; R204-A224 WeakPolarHBondContact CD-O 3.27Å; R204-A224 PolarHBondContact NH1-O 3.3Å; Y212-A224 WeakPolarHBondContact CE2-O 3.5Å
225	R	77.6	Confident	84.6	Confident	100 Å²	100	85.5 Å²	85.5	38%	0.377	42%	0.416	S	S	.	.	S	Bend	trans	-134.1	147.8	-174.4	-50.2	-170.9	-65.8	130.8	14.3	111.1	A201 Y212 F223 D227 E228 L229	A201-R225 HydrophobicContact CB-CG 3.8Å; Y212-R225 VanDerWaalsContact CE2-C 3.5Å; F223-R225 VanDerWaalsContact C-N 3.34Å; R225-D227 WeakPolarHBondContact CB-OD1 3.37Å; R225-D227 IonicContact CZ-OD1 3.18Å; R225-D227 VanDerWaalsContact CZ-OD1 3.28Å; R225-D227 IonicContact CZ-OD2 3.55Å; R225-D227 IonicContact NE-OD1 3.67Å; R225-D227 IonicContact NH1-OD1 3.88Å; R225-D227 PolarHBondContact NH1-OD1 3.09Å; R225-D227 IonicContact NH1-OD2 3.6Å; R225-D227 PolarHBondContact NH1-OD2 3.15Å; R225-D227 IonicContact NH2-OD1 2.63Å; R225-D227 IonicContact NH2-OD2 3.36Å; R225-D227 PolarHBondContact NH2-OD2 2.92Å; R225-E228 WeakPolarHBondContact O-CB 3.36Å; R225-E228 PolarHBondContact O-N 3.46Å; R225-L229 PolarHBondContact O-N 3.07Å
226	S	82.7	Confident	84.6	Confident	65 Å²	65	79.2 Å²	79.2	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-70.4	-36.8	-178.8	53.4	0	0	0	0	112.7	Y212 E228 L229 T230	Y212-S226 VanDerWaalsContact CE2-N 3.35Å; S226-E228 PolarHBondContact O-N 2.89Å; S226-L229 PolarHBondContact O-N 2.63Å; S226-L229 VanDerWaalsContact O-N 3.12Å; S226-T230 PolarHBondContact O-N 2.66Å; S226-T230 PolarHBondContact O-OG1 3.29Å
227	D	80.4	Confident	84.8	Confident	75 Å²	75	77.7 Å²	77.7	40%	0.401	40%	0.396	S	S	.	.	H	α-helix	trans	-58.8	-36.5	175.9	65.3	-43.1	0	0	0	111.8	R225 R231	R225-D227 WeakPolarHBondContact CB-OD1 3.37Å; R225-D227 IonicContact CZ-OD1 3.18Å; R225-D227 VanDerWaalsContact CZ-OD1 3.28Å; R225-D227 IonicContact CZ-OD2 3.55Å; R225-D227 IonicContact NE-OD1 3.67Å; R225-D227 IonicContact NH1-OD1 3.88Å; R225-D227 PolarHBondContact NH1-OD1 3.09Å; R225-D227 IonicContact NH1-OD2 3.6Å; R225-D227 PolarHBondContact NH1-OD2 3.15Å; R225-D227 IonicContact NH2-OD1 2.63Å; R225-D227 IonicContact NH2-OD2 3.36Å; R225-D227 PolarHBondContact NH2-OD2 2.92Å; D227-R231 WeakPolarHBondContact O-CB 3.48Å; D227-R231 PolarHBondContact O-N 3.06Å
228	E	84.2	Confident	84.7	Confident	45 Å²	45	71.1 Å²	71.1	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-43.5	175.1	-170.1	63.8	-138.9	0	0	112.2	F223 R225 S226 R231 H232	F223-E228 HydrophobicContact CB-CB 4.06Å; F223-E228 HydrophobicContact CB-CG 4.08Å; F223-E228 HydrophobicContact CD1-CB 4.07Å; F223-E228 HydrophobicContact CD1-CG 3.18Å; F223-E228 HydrophobicContact CE1-CG 3.76Å; F223-E228 HydrophobicContact CG-CB 4.2Å; F223-E228 HydrophobicContact CG-CG 3.81Å; R225-E228 WeakPolarHBondContact O-CB 3.36Å; R225-E228 PolarHBondContact O-N 3.46Å; S226-E228 PolarHBondContact O-N 2.89Å; E228-R231 PolarHBondContact O-N 2.86Å; E228-R231 IonicContact OE1-CZ 3.56Å; E228-R231 IonicContact OE1-NE 3.46Å; E228-R231 PolarHBondContact OE1-NE 3.49Å; E228-R231 IonicContact OE1-NH2 3.39Å; E228-R231 PolarHBondContact OE1-NH2 3.17Å; E228-R231 IonicContact OE2-CZ 3.32Å; E228-R231 IonicContact OE2-NE 2.84Å; E228-R231 IonicContact OE2-NH1 3.29Å; E228-R231 IonicContact OE2-NH2 2.66Å; E228-R231 PolarHBondContact OE2-NH2 3.43Å; E228-H232 WeakPolarHBondContact O-CB 3.42Å; E228-H232 PolarHBondContact O-N 3.25Å
229	L	88.4	Confident	84.8	Confident	29 Å²	29	71.3 Å²	71.3	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-47.7	174.4	175.3	62.2	0	0	0	110.8	C214 F223 R225 S226 R231 H232 L233	C214-L229 HydrophobicContact CB-CD1 4.22Å; F223-L229 HydrophobicContact CD2-CB 3.81Å; F223-L229 HydrophobicContact CD2-CD1 3.74Å; F223-L229 HydrophobicContact CD2-CG 4.38Å; F223-L229 HydrophobicContact CE2-CB 4.48Å; F223-L229 HydrophobicContact CE2-CD1 3.81Å; F223-L229 HydrophobicContact CG-CB 4.44Å; R225-L229 PolarHBondContact O-N 3.07Å; S226-L229 PolarHBondContact O-N 2.63Å; S226-L229 VanDerWaalsContact O-N 3.12Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 3.08Å; L229-H232 CarbonylContact O-C 3.29Å; L229-H232 WeakPolarHBondContact O-CA 3.34Å; L229-H232 WeakPolarHBondContact O-CB 3.37Å; L229-H232 PolarHBondContact O-N 3.25Å; L229-H232 VanDerWaalsContact O-N 3.07Å; L229-L233 HydrophobicContact CD1-CD1 4.42Å; L229-L233 HydrophobicContact CD1-CD2 4.46Å; L229-L233 HydrophobicContact CD1-CG 4.15Å; L229-L233 HydrophobicContact CG-CD1 4.2Å; L229-L233 HydrophobicContact CG-CG 4.37Å; L229-L233 WeakPolarHBondContact O-CG 3.38Å; L229-L233 PolarHBondContact O-N 2.83Å
230	T	85.1	Confident	84.9	Confident	76 Å²	76	76.5 Å²	76.5	47%	0.466	38%	0.383	S	S	.	.	H	α-helix	trans	-57.8	-44.1	177.7	-58.7	0	0	0	0	111.5	S226 H232 L233 R234	S226-T230 PolarHBondContact O-N 2.66Å; S226-T230 PolarHBondContact O-OG1 3.29Å; T230-H232 VanDerWaalsContact C-N 3.32Å; T230-H232 PolarHBondContact O-N 3.32Å; T230-L233 PolarHBondContact O-N 3.16Å; T230-R234 PolarHBondContact O-N 3.47Å
231	R	85.2	Confident	84.9	Confident	87 Å²	87	72.8 Å²	72.8	33%	0.328	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-39.5	175.9	-176.1	173.9	75.7	-177.8	6.5	112.2	D227 E228 L229 R234 R253	D227-R231 WeakPolarHBondContact O-CB 3.48Å; D227-R231 PolarHBondContact O-N 3.06Å; E228-R231 PolarHBondContact O-N 2.86Å; E228-R231 IonicContact OE1-CZ 3.56Å; E228-R231 IonicContact OE1-NE 3.46Å; E228-R231 PolarHBondContact OE1-NE 3.49Å; E228-R231 IonicContact OE1-NH2 3.39Å; E228-R231 PolarHBondContact OE1-NH2 3.17Å; E228-R231 IonicContact OE2-CZ 3.32Å; E228-R231 IonicContact OE2-NE 2.84Å; E228-R231 IonicContact OE2-NH1 3.29Å; E228-R231 IonicContact OE2-NH2 2.66Å; E228-R231 PolarHBondContact OE2-NH2 3.43Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 3.08Å; R231-R234 PolarHBondContact O-N 2.97Å; R231-R253 HydrophobicContact CG-CG 4.25Å
232	H	89.3	Confident	85.1	Confident	15 Å²	15	69.6 Å²	69.6	7%	0.069	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-41.8	175.4	171.1	82.1	0	0	0	112.1	C214 C219 W221 F223 E228 L229 T230 R234 K235 H236	C214-H232 VanDerWaalsContact SG-CD2 3.59Å; C214-H232 PolarHBondContact SG-NE2 3.36Å; C219-H232 PolarHBondContact SG-CE1 2.85Å; C219-H232 PolarHBondContact SG-NE2 3.48Å; W221-H232 AromaticContact CD2-CE1 3.88Å; W221-H232 AromaticContact CE3-CE1 3.92Å; W221-H232 AromaticContact CE3-ND1 3.78Å; W221-H232 AromaticContact CG-CE1 3.82Å; F223-H232 HydrophobicContact CE1-CB 4.12Å; F223-H232 HydrophobicContact CE2-CB 3.64Å; F223-H232 AromaticContact CE2-CD2 3.57Å; F223-H232 AromaticContact CE2-CG 3.55Å; F223-H232 HydrophobicContact CZ-CB 3.32Å; F223-H232 AromaticContact CZ-CD2 3.7Å; F223-H232 AromaticContact CZ-CG 3.23Å; F223-H232 AromaticContact CZ-ND1 3.5Å; E228-H232 WeakPolarHBondContact O-CB 3.42Å; E228-H232 PolarHBondContact O-N 3.25Å; L229-H232 CarbonylContact O-C 3.29Å; L229-H232 WeakPolarHBondContact O-CA 3.34Å; L229-H232 WeakPolarHBondContact O-CB 3.37Å; L229-H232 PolarHBondContact O-N 3.25Å; L229-H232 VanDerWaalsContact O-N 3.07Å; T230-H232 VanDerWaalsContact C-N 3.32Å; T230-H232 PolarHBondContact O-N 3.32Å; H232-R234 PolarHBondContact O-N 3.16Å; H232-K235 WeakPolarHBondContact O-CA 3.47Å; H232-K235 WeakPolarHBondContact O-CB 3.11Å; H232-K235 PolarHBondContact O-N 3.3Å; H232-H236 AromaticContact CD2-NE2 3.89Å; H232-H236 AromaticContact CE1-NE2 3.66Å; H232-H236 AromaticContact NE2-CD2 3.78Å; H232-H236 AromaticContact NE2-NE2 3.16Å; H232-H236 PolarHBondContact NE2-NE2 3.28Å; H232-H236 VanDerWaalsContact NE2-NE2 3.16Å
233	L	87.5	Confident	85.2	Confident	65 Å²	65	69.1 Å²	69.1	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-34.6	177.9	-71	173.7	0	0	0	112.5	L229 T230 K235 H236 T237	L229-L233 HydrophobicContact CD1-CD1 4.42Å; L229-L233 HydrophobicContact CD1-CD2 4.46Å; L229-L233 HydrophobicContact CD1-CG 4.15Å; L229-L233 HydrophobicContact CG-CD1 4.2Å; L229-L233 HydrophobicContact CG-CG 4.37Å; L229-L233 WeakPolarHBondContact O-CG 3.38Å; L229-L233 PolarHBondContact O-N 2.83Å; T230-L233 PolarHBondContact O-N 3.16Å; L233-K235 PolarHBondContact O-N 2.9Å; L233-K235 VanDerWaalsContact O-N 3.08Å; L233-H236 WeakPolarHBondContact O-CA 3.5Å; L233-H236 WeakPolarHBondContact O-CB 3.36Å; L233-H236 PolarHBondContact O-N 3.26Å; L233-T237 PolarHBondContact O-N 3.48Å; L233-T237 VanDerWaalsContact O-N 3.16Å; L233-T237 PolarHBondContact O-OG1 2.67Å; L233-T237 VanDerWaalsContact O-OG1 3.06Å
234	R	87.3	Confident	85.7	Confident	69 Å²	69	68.3 Å²	68.3	26%	0.26	35%	0.352	S	S	.	.	H	α-helix	trans	-57.8	-23.9	172.9	-64.8	-178	-177.5	164.3	2.4	113.6	T230 R231 H232 H236 G238 D239 S252	T230-R234 PolarHBondContact O-N 3.47Å; R231-R234 PolarHBondContact O-N 2.97Å; H232-R234 PolarHBondContact O-N 3.16Å; R234-H236 VanDerWaalsContact C-N 3.32Å; R234-G238 WeakPolarHBondContact O-CA 3.39Å; R234-G238 PolarHBondContact O-N 3.07Å; R234-D239 HydrophobicContact CB-CB 4.41Å; R234-D239 HydrophobicContact CG-CB 4.31Å; R234-D239 PolarHBondContact O-N 2.83Å; R234-S252 PolarHBondContact NH1-O 3.44Å
235	K	86.2	Confident	86.3	Confident	158 Å²	158	72.5 Å²	72.5	69%	0.687	38%	0.38	S	S	*	.	H	α-helix	trans	-70.9	-29.9	174	-168.8	-178.4	174.7	-176.6	0	112.1	H232 L233	H232-K235 WeakPolarHBondContact O-CA 3.47Å; H232-K235 WeakPolarHBondContact O-CB 3.11Å; H232-K235 PolarHBondContact O-N 3.3Å; L233-K235 PolarHBondContact O-N 2.9Å; L233-K235 VanDerWaalsContact O-N 3.08Å
236	H	86.3	Confident	86.9	Confident	52 Å²	52	72.8 Å²	72.8	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-78.4	-48.4	176.5	-68.8	-75.5	0	0	0	111.4	W216 C219 H232 L233 R234 G238	W216-H236 AromaticContact CD1-CE1 3.73Å; W216-H236 AromaticContact CD1-ND1 3.38Å; W216-H236 HydrophobicContact CD2-CB 3.73Å; W216-H236 AromaticContact CD2-CG 3.71Å; W216-H236 AromaticContact CD2-ND1 3.58Å; W216-H236 AromaticContact CE2-ND1 3.83Å; W216-H236 HydrophobicContact CE3-CB 3.64Å; W216-H236 HydrophobicContact CG-CB 4.31Å; W216-H236 AromaticContact CG-CE1 3.66Å; W216-H236 AromaticContact CG-CG 3.75Å; W216-H236 AromaticContact CG-ND1 3.3Å; W216-H236 VanDerWaalsContact CG-ND1 3.3Å; W216-H236 HydrophobicContact CH2-CB 4.25Å; W216-H236 HydrophobicContact CZ2-CB 4.34Å; W216-H236 HydrophobicContact CZ3-CB 3.91Å; W216-H236 AromaticContact NE1-ND1 3.7Å; C219-H236 PolarHBondContact SG-NE2 3.35Å; H232-H236 AromaticContact CD2-NE2 3.89Å; H232-H236 AromaticContact CE1-NE2 3.66Å; H232-H236 AromaticContact NE2-CD2 3.78Å; H232-H236 AromaticContact NE2-NE2 3.16Å; H232-H236 PolarHBondContact NE2-NE2 3.28Å; H232-H236 VanDerWaalsContact NE2-NE2 3.16Å; L233-H236 WeakPolarHBondContact O-CA 3.5Å; L233-H236 WeakPolarHBondContact O-CB 3.36Å; L233-H236 PolarHBondContact O-N 3.26Å; R234-H236 VanDerWaalsContact C-N 3.32Å; H236-G238 VanDerWaalsContact C-N 3.29Å; H236-G238 PolarHBondContact O-N 2.84Å
237	T	85.8	Confident	87.5	Confident	103 Å²	103	72.5 Å²	72.5	63%	0.632	39%	0.386	S	S	*	.	H	α-helix	trans	-73.3	-19	178.7	15.6	0	0	0	0	113.7	L233 D239	L233-T237 PolarHBondContact O-N 3.48Å; L233-T237 VanDerWaalsContact O-N 3.16Å; L233-T237 PolarHBondContact O-OG1 2.67Å; L233-T237 VanDerWaalsContact O-OG1 3.06Å; T237-D239 PolarHBondContact O-N 3.05Å
238	G	83	Confident	87.9	Confident	49 Å²	49	74.4 Å²	74.4	51%	0.505	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	14.9	-172.2	0	0	0	0	0	113.4	R234 H236	R234-G238 WeakPolarHBondContact O-CA 3.39Å; R234-G238 PolarHBondContact O-N 3.07Å; H236-G238 VanDerWaalsContact C-N 3.29Å; H236-G238 PolarHBondContact O-N 2.84Å
239	D	85.7	Confident	88.2	Confident	78 Å²	78	79.6 Å²	79.6	42%	0.417	41%	0.411	S	S	.	.			trans	-67	133.5	-176.1	-176.9	24.7	0	0	0	111.9	R234 T237	R234-D239 HydrophobicContact CB-CB 4.41Å; R234-D239 HydrophobicContact CG-CB 4.31Å; R234-D239 PolarHBondContact O-N 2.83Å; T237-D239 PolarHBondContact O-N 3.05Å
240	K	87.5	Confident	88.3	Confident	121 Å²	121	80.3 Å²	80.3	53%	0.526	42%	0.418	S	S	.	.			trans	-138.8	73.2	-173.6	-69.3	175.1	-179.4	-176.5	0	110.2	F242 F251	K240-F242 PolarHBondContact O-N 3.11Å; K240-F251 CarbonylContact C-O 3.47Å; K240-F251 VanDerWaalsContact C-O 3.29Å; K240-F251 WeakPolarHBondContact CA-O 3.12Å
241	P	86.3	Confident	88.4	Confident	68 Å²	68	78.2 Å²	78.2	44%	0.442	40%	0.403	S	S	.	.			trans	-70.5	-16.2	-172.6	26.7	-34.5	0	0	0	113.8
242	F	89.4	Confident	88.6	Confident	63 Å²	63	76.2 Å²	76.2	28%	0.276	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106.6	-173.7	-57.6	-73.7	0	0	0	111.2	K240 S250 F251 S254 L257	K240-F242 PolarHBondContact O-N 3.11Å; F242-S250 CarbonylContact O-C 3.58Å; F242-S250 WeakPolarHBondContact O-CA 3.37Å; F242-F251 HydrophobicContact CB-CB 4.32Å; F242-F251 WeakPolarHBondContact CB-O 3.49Å; F242-F251 PolarHBondContact N-O 3.42Å; F242-F251 VanDerWaalsContact N-O 3.09Å; F242-F251 PolarHBondContact O-N 3.41Å; F242-S254 VanDerWaalsContact CD2-N 3.33Å; F242-S254 VanDerWaalsContact CE2-N 3.34Å; F242-L257 HydrophobicContact CB-CB 4.09Å; F242-L257 HydrophobicContact CB-CD2 3.85Å
243	Q	90.7	Very high	88.6	Confident	98 Å²	98	78.7 Å²	78.7	46%	0.458	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.7	179.9	-167.2	169.6	19	0	0	112	M248	Q243-M248 WeakPolarHBondContact CG-O 3.37Å; Q243-M248 PolarHBondContact NE2-O 3.23Å
244	C	92.1	Very high	88.6	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	42%	0.415	C	S	.	.			trans	-72.7	127.4	170.6	-178.2	0	0	0	0	110.6	I246 M248 R249 F251 L257 H264	C244-I246 VanDerWaalsContact C-N 3.27Å; C244-I246 PolarHBondContact O-N 2.94Å; C244-I246 PolarHBondContact SG-N 3.22Å; C244-I246 VanDerWaalsContact SG-N 3.38Å; C244-M248 WeakPolarHBondContact O-CA 3.46Å; C244-M248 PolarHBondContact O-N 3.31Å; C244-R249 PolarHBondContact N-O 3.32Å; C244-F251 HydrophobicContact CB-CE2 4.4Å; C244-L257 HydrophobicContact CB-CD1 3.74Å; C244-H264 PolarHBondContact SG-NE2 2.71Å
245	S	91.7	Very high	88.8	Confident	106 Å²	106	78.4 Å²	78.4	74%	0.741	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.8	176.4	52.2	0	0	0	0	114.1
246	I	90.9	Very high	89	Confident	107 Å²	107	74.4 Å²	74.4	55%	0.549	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-50.5	-176.6	-58.7	170.5	0	0	0	111.1	C244 H264	C244-I246 VanDerWaalsContact C-N 3.27Å; C244-I246 PolarHBondContact O-N 2.94Å; C244-I246 PolarHBondContact SG-N 3.22Å; C244-I246 VanDerWaalsContact SG-N 3.38Å; I246-H264 HydrophobicContact CD1-CB 3.79Å
247	C	93.7	Very high	89.3	Confident	59 Å²	59	73.4 Å²	73.4	40%	0.399	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	6.3	-177.1	71.5	0	0	0	0	114.7	R249 H260 H264	C247-R249 PolarHBondContact O-N 3.43Å; C247-H260 PolarHBondContact SG-CE1 3.38Å; C247-H260 PolarHBondContact SG-NE2 3.11Å; C247-H264 PolarHBondContact SG-NE2 3.09Å; C247-H264 VanDerWaalsContact SG-NE2 3.4Å
248	M	90.3	Very high	89.6	Confident	115 Å²	115	72 Å²	72	57%	0.567	39%	0.391	S	S	*	.			trans	60.8	14.5	177.1	-58.3	-58.1	-80.5	0	0	115.2	Q243 C244	Q243-M248 WeakPolarHBondContact CG-O 3.37Å; Q243-M248 PolarHBondContact NE2-O 3.23Å; C244-M248 WeakPolarHBondContact O-CA 3.46Å; C244-M248 PolarHBondContact O-N 3.31Å
249	R	89.8	Confident	90.1	Very high	154 Å²	154	73.7 Å²	73.7	58%	0.581	39%	0.392	S	S	*	.			trans	-75	130.6	176.4	-171.6	169.9	-178.1	161.2	2.7	111.2	C244 C247 F251	C244-R249 PolarHBondContact N-O 3.32Å; C247-R249 PolarHBondContact O-N 3.43Å; R249-F251 HydrophobicContact CB-CE2 3.96Å; R249-F251 HydrophobicContact CB-CZ 4.22Å; R249-F251 HydrophobicContact CG-CE2 3.89Å; R249-F251 HydrophobicContact CG-CZ 3.79Å; R249-F251 WeakPolarHBondContact O-CD2 3.32Å; R249-F251 WeakPolarHBondContact O-CE2 3.33Å
250	S	90.2	Very high	90.4	Very high	43 Å²	43	70.7 Å²	70.7	30%	0.301	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.3	179.6	-44	0	0	0	0	113.5	F242	F242-S250 CarbonylContact O-C 3.58Å; F242-S250 WeakPolarHBondContact O-CA 3.37Å
251	F	88.5	Confident	90.6	Very high	32 Å²	32	67.7 Å²	67.7	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.7	-176.1	-60.3	-91.6	0	0	0	110.3	K240 F242 C244 R249 R253 H256 L257 H260	K240-F251 CarbonylContact C-O 3.47Å; K240-F251 VanDerWaalsContact C-O 3.29Å; K240-F251 WeakPolarHBondContact CA-O 3.12Å; F242-F251 HydrophobicContact CB-CB 4.32Å; F242-F251 WeakPolarHBondContact CB-O 3.49Å; F242-F251 PolarHBondContact N-O 3.42Å; F242-F251 VanDerWaalsContact N-O 3.09Å; F242-F251 PolarHBondContact O-N 3.41Å; C244-F251 HydrophobicContact CB-CE2 4.4Å; R249-F251 HydrophobicContact CB-CE2 3.96Å; R249-F251 HydrophobicContact CB-CZ 4.22Å; R249-F251 HydrophobicContact CG-CE2 3.89Å; R249-F251 HydrophobicContact CG-CZ 3.79Å; R249-F251 WeakPolarHBondContact O-CD2 3.32Å; R249-F251 WeakPolarHBondContact O-CE2 3.33Å; F251-R253 VanDerWaalsContact C-N 3.32Å; F251-H256 HydrophobicContact CB-CB 4.37Å; F251-H256 HydrophobicContact CD1-CB 3.92Å; F251-H256 HydrophobicContact CG-CB 4.44Å; F251-L257 HydrophobicContact CB-CB 4.35Å; F251-L257 HydrophobicContact CD2-CB 4.02Å; F251-L257 HydrophobicContact CD2-CD1 3.87Å; F251-L257 HydrophobicContact CE2-CD1 4.05Å; F251-L257 HydrophobicContact CG-CB 4.3Å; F251-H260 HydrophobicContact CE1-CB 4Å; F251-H260 HydrophobicContact CE2-CB 4.12Å; F251-H260 AromaticContact CE2-CD2 3.14Å; F251-H260 WeakPolarHBondContact CE2-CD2 3.46Å; F251-H260 AromaticContact CE2-CG 3.75Å; F251-H260 AromaticContact CE2-NE2 3.75Å; F251-H260 HydrophobicContact CZ-CB 3.56Å; F251-H260 AromaticContact CZ-CD2 3.16Å; F251-H260 WeakPolarHBondContact CZ-CD2 3.42Å; F251-H260 AromaticContact CZ-CG 3.27Å; F251-H260 AromaticContact CZ-ND1 3.99Å; F251-H260 AromaticContact CZ-NE2 3.73Å
252	S	88.7	Confident	90.9	Very high	45 Å²	45	72.4 Å²	72.4	32%	0.315	38%	0.38	S	S	.	.	S	Bend	trans	-80.4	-14.4	178.1	55.7	0	0	0	0	113.7	R234	R234-S252 PolarHBondContact NH1-O 3.44Å
253	R	88.2	Confident	91	Very high	67 Å²	67	78.4 Å²	78.4	25%	0.253	40%	0.401	S	S	.	.	S	Bend	trans	-136.2	144.9	-179	-60.9	167.1	50.6	165.1	-0.7	111.3	R231 F251 D255 H256 L257	R231-R253 HydrophobicContact CG-CG 4.25Å; F251-R253 VanDerWaalsContact C-N 3.32Å; R253-D255 WeakPolarHBondContact CB-OD1 3.18Å; R253-D255 IonicContact CZ-OD1 2.83Å; R253-D255 IonicContact CZ-OD2 3.04Å; R253-D255 IonicContact NE-OD1 3.95Å; R253-D255 PolarHBondContact NE-OD1 3.18Å; R253-D255 IonicContact NE-OD2 3.54Å; R253-D255 VanDerWaalsContact NH2-CG 3.32Å; R253-D255 IonicContact NH2-OD1 3.28Å; R253-D255 PolarHBondContact NH2-OD1 2.91Å; R253-D255 IonicContact NH2-OD2 2.67Å; R253-D255 PolarHBondContact NH2-OD2 3.09Å; R253-H256 WeakPolarHBondContact CD-NE2 3.31Å; R253-H256 PolarHBondContact O-N 3Å; R253-L257 PolarHBondContact O-N 3.49Å
254	S	89.3	Confident	90.8	Very high	62 Å²	62	79.8 Å²	79.8	43%	0.434	41%	0.407	S	S	.	.	H	α-helix	trans	-67.1	-39.1	-179.4	53.9	0	0	0	0	112.6	F242 H256 L257 T258	F242-S254 VanDerWaalsContact CD2-N 3.33Å; F242-S254 VanDerWaalsContact CE2-N 3.34Å; S254-H256 VanDerWaalsContact C-N 3.26Å; S254-H256 PolarHBondContact O-N 3.39Å; S254-L257 CarbonylContact O-C 3.49Å; S254-L257 WeakPolarHBondContact O-CA 3.18Å; S254-L257 WeakPolarHBondContact O-CB 3.41Å; S254-L257 PolarHBondContact O-N 2.82Å; S254-T258 PolarHBondContact O-N 2.96Å; S254-T258 PolarHBondContact O-OG1 3.32Å; S254-T258 VanDerWaalsContact O-OG1 3.07Å
255	D	90.1	Very high	90.7	Very high	66 Å²	66	83.8 Å²	83.8	35%	0.353	43%	0.428	S	S	.	.	H	α-helix	trans	-64.3	-31.9	179.5	64.8	-56.4	0	0	0	112.6	R253 T258 T259	R253-D255 WeakPolarHBondContact CB-OD1 3.18Å; R253-D255 IonicContact CZ-OD1 2.83Å; R253-D255 IonicContact CZ-OD2 3.04Å; R253-D255 IonicContact NE-OD1 3.95Å; R253-D255 PolarHBondContact NE-OD1 3.18Å; R253-D255 IonicContact NE-OD2 3.54Å; R253-D255 VanDerWaalsContact NH2-CG 3.32Å; R253-D255 IonicContact NH2-OD1 3.28Å; R253-D255 PolarHBondContact NH2-OD1 2.91Å; R253-D255 IonicContact NH2-OD2 2.67Å; R253-D255 PolarHBondContact NH2-OD2 3.09Å; D255-T258 PolarHBondContact O-N 2.89Å; D255-T259 WeakPolarHBondContact O-CG2 3.33Å; D255-T259 PolarHBondContact O-N 3.47Å; D255-T259 PolarHBondContact O-OG1 3.07Å
256	H	91.6	Very high	90.6	Very high	74 Å²	74	82.6 Å²	82.6	34%	0.343	41%	0.411	S	S	.	.	H	α-helix	trans	-69.6	-39.5	171.6	-64.1	-20.4	0	0	0	112	F251 R253 S254 T259 H260	F251-H256 HydrophobicContact CB-CB 4.37Å; F251-H256 HydrophobicContact CD1-CB 3.92Å; F251-H256 HydrophobicContact CG-CB 4.44Å; R253-H256 WeakPolarHBondContact CD-NE2 3.31Å; R253-H256 PolarHBondContact O-N 3Å; S254-H256 VanDerWaalsContact C-N 3.26Å; S254-H256 PolarHBondContact O-N 3.39Å; H256-T259 WeakPolarHBondContact CA-OG1 3.33Å; H256-T259 PolarHBondContact O-OG1 3.49Å; H256-T259 VanDerWaalsContact O-OG1 3.07Å; H256-H260 WeakPolarHBondContact O-CB 3.49Å; H256-H260 PolarHBondContact O-N 2.94Å
257	L	92.1	Very high	90.6	Very high	31 Å²	31	81.2 Å²	81.2	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-46.9	171.9	172	62.2	0	0	0	110.6	F242 C244 F251 R253 S254 T259 H260 V261	F242-L257 HydrophobicContact CB-CB 4.09Å; F242-L257 HydrophobicContact CB-CD2 3.85Å; C244-L257 HydrophobicContact CB-CD1 3.74Å; F251-L257 HydrophobicContact CB-CB 4.35Å; F251-L257 HydrophobicContact CD2-CB 4.02Å; F251-L257 HydrophobicContact CD2-CD1 3.87Å; F251-L257 HydrophobicContact CE2-CD1 4.05Å; F251-L257 HydrophobicContact CG-CB 4.3Å; R253-L257 PolarHBondContact O-N 3.49Å; S254-L257 CarbonylContact O-C 3.49Å; S254-L257 WeakPolarHBondContact O-CA 3.18Å; S254-L257 WeakPolarHBondContact O-CB 3.41Å; S254-L257 PolarHBondContact O-N 2.82Å; L257-T259 PolarHBondContact O-N 3.29Å; L257-H260 WeakPolarHBondContact O-CB 3.16Å; L257-H260 PolarHBondContact O-N 2.85Å; L257-V261 HydrophobicContact CD1-CG2 3.71Å; L257-V261 HydrophobicContact CG-CG2 4.24Å; L257-V261 VanDerWaalsContact O-CG2 3.31Å; L257-V261 WeakPolarHBondContact O-CG2 3.14Å; L257-V261 PolarHBondContact O-N 3.02Å
258	T	92.2	Very high	90.5	Very high	74 Å²	74	82.5 Å²	82.5	45%	0.454	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-47.1	179.9	-55	0	0	0	0	112.2	S254 D255 H260 V261 K262	S254-T258 PolarHBondContact O-N 2.96Å; S254-T258 PolarHBondContact O-OG1 3.32Å; S254-T258 VanDerWaalsContact O-OG1 3.07Å; D255-T258 PolarHBondContact O-N 2.89Å; T258-H260 VanDerWaalsContact C-N 3.31Å; T258-H260 PolarHBondContact O-N 3.3Å; T258-V261 PolarHBondContact O-N 3.39Å; T258-K262 WeakPolarHBondContact O-CG 3.08Å; T258-K262 PolarHBondContact O-N 3.1Å; T258-K262 VanDerWaalsContact O-N 3.09Å
259	T	92.9	Very high	90.5	Very high	85 Å²	85	80.5 Å²	80.5	52%	0.521	39%	0.394	S	S	.	.	H	α-helix	trans	-67.3	-33.2	177.3	49.5	0	0	0	0	112.4	D255 H256 L257	D255-T259 WeakPolarHBondContact O-CG2 3.33Å; D255-T259 PolarHBondContact O-N 3.47Å; D255-T259 PolarHBondContact O-OG1 3.07Å; H256-T259 WeakPolarHBondContact CA-OG1 3.33Å; H256-T259 PolarHBondContact O-OG1 3.49Å; H256-T259 VanDerWaalsContact O-OG1 3.07Å; L257-T259 PolarHBondContact O-N 3.29Å
260	H	92.7	Very high	90.5	Very high	15 Å²	15	75.6 Å²	75.6	7%	0.069	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-45.6	172.6	165.9	53.5	0	0	0	112.7	C247 F251 H256 L257 T258 K262 R263 H264	C247-H260 PolarHBondContact SG-CE1 3.38Å; C247-H260 PolarHBondContact SG-NE2 3.11Å; F251-H260 HydrophobicContact CE1-CB 4Å; F251-H260 HydrophobicContact CE2-CB 4.12Å; F251-H260 AromaticContact CE2-CD2 3.14Å; F251-H260 WeakPolarHBondContact CE2-CD2 3.46Å; F251-H260 AromaticContact CE2-CG 3.75Å; F251-H260 AromaticContact CE2-NE2 3.75Å; F251-H260 HydrophobicContact CZ-CB 3.56Å; F251-H260 AromaticContact CZ-CD2 3.16Å; F251-H260 WeakPolarHBondContact CZ-CD2 3.42Å; F251-H260 AromaticContact CZ-CG 3.27Å; F251-H260 AromaticContact CZ-ND1 3.99Å; F251-H260 AromaticContact CZ-NE2 3.73Å; H256-H260 WeakPolarHBondContact O-CB 3.49Å; H256-H260 PolarHBondContact O-N 2.94Å; L257-H260 WeakPolarHBondContact O-CB 3.16Å; L257-H260 PolarHBondContact O-N 2.85Å; T258-H260 VanDerWaalsContact C-N 3.31Å; T258-H260 PolarHBondContact O-N 3.3Å; H260-K262 VanDerWaalsContact C-N 3.29Å; H260-K262 PolarHBondContact O-N 3.03Å; H260-R263 WeakPolarHBondContact O-CB 3.48Å; H260-R263 PolarHBondContact O-N 3.43Å; H260-H264 AromaticContact CE1-CE1 3.88Å; H260-H264 AromaticContact CE1-NE2 3.29Å; H260-H264 PolarHBondContact CE1-NE2 3.49Å; H260-H264 VanDerWaalsContact CE1-NE2 3.29Å; H260-H264 AromaticContact NE2-NE2 3.32Å; H260-H264 PolarHBondContact NE2-NE2 3.11Å
261	V	91.8	Very high	90.5	Very high	57 Å²	57	77.9 Å²	77.9	35%	0.345	39%	0.387	S	S	.	.	H	α-helix	trans	-63	-37.5	179.3	171.1	0	0	0	0	111.2	L257 T258 R263 H264	L257-V261 HydrophobicContact CD1-CG2 3.71Å; L257-V261 HydrophobicContact CG-CG2 4.24Å; L257-V261 VanDerWaalsContact O-CG2 3.31Å; L257-V261 WeakPolarHBondContact O-CG2 3.14Å; L257-V261 PolarHBondContact O-N 3.02Å; T258-V261 PolarHBondContact O-N 3.39Å; V261-R263 PolarHBondContact O-N 3.34Å; V261-R263 VanDerWaalsContact O-N 3.11Å; V261-H264 PolarHBondContact O-N 3.4Å; V261-H264 VanDerWaalsContact O-N 3.11Å
262	K	92.7	Very high	90.7	Very high	167 Å²	167	81.5 Å²	81.5	73%	0.726	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.7	173.8	-73.8	177.6	178.7	-172.9	0	114.6	T258 H260	T258-K262 WeakPolarHBondContact O-CG 3.08Å; T258-K262 PolarHBondContact O-N 3.1Å; T258-K262 VanDerWaalsContact O-N 3.09Å; H260-K262 VanDerWaalsContact C-N 3.29Å; H260-K262 PolarHBondContact O-N 3.03Å
263	R	91.1	Very high	90.9	Very high	190 Å²	190	84.5 Å²	84.5	72%	0.717	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	3.1	179.8	-165.8	-179.1	59.6	-153.1	-7.6	112.2	H260 V261	H260-R263 WeakPolarHBondContact O-CB 3.48Å; H260-R263 PolarHBondContact O-N 3.43Å; V261-R263 PolarHBondContact O-N 3.34Å; V261-R263 VanDerWaalsContact O-N 3.11Å
264	H	85.4	Confident	91.1	Very high	126 Å²	126	86.1 Å²	86.1	58%	0.583	43%	0.428	S	S	*	.			trans	-72.7	0	163.1	-82.2	-59.9	0	0	0	109.5	C244 I246 C247 H260 V261	C244-H264 PolarHBondContact SG-NE2 2.71Å; I246-H264 HydrophobicContact CD1-CB 3.79Å; C247-H264 PolarHBondContact SG-NE2 3.09Å; C247-H264 VanDerWaalsContact SG-NE2 3.4Å; H260-H264 AromaticContact CE1-CE1 3.88Å; H260-H264 AromaticContact CE1-NE2 3.29Å; H260-H264 PolarHBondContact CE1-NE2 3.49Å; H260-H264 VanDerWaalsContact CE1-NE2 3.29Å; H260-H264 AromaticContact NE2-NE2 3.32Å; H260-H264 PolarHBondContact NE2-NE2 3.11Å; V261-H264 PolarHBondContact O-N 3.4Å; V261-H264 VanDerWaalsContact O-N 3.11Å

Retrieved 264 of 264 residues in 150.6 ms (Link to these results)

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