A0A077Z2A2_TRITR Loading...

Holocytochrome c-type synthase

Lyase that catalyzes the covalent linking of the heme group to the cytochrome C apoprotein to produce the mature functional cytochrome.

AlphaFold DB , UniProt , Accession A0A077Z2A2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	31	Very low	248 Å²	248	136.6 Å²	136.6	100%	1.222	83%	0.831	S	S	*	*				0	119	0	-74.3	161.1	175.5	0	0	106.5
2	G	26.4	Very low	31.1	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	84%	0.838	S	S	*	*			trans	-70.8	161.2	-170.7	0	0	0	0	0	113.8
3	N	32.2	Very low	31.2	Very low	165 Å²	165	146.9 Å²	146.9	88%	0.882	84%	0.84	S	S	*	*			trans	-167.6	102.7	151.3	-86.3	-24.9	0	0	0	104.9
4	A	33	Very low	31.1	Very low	87 Å²	87	147.4 Å²	147.4	72%	0.719	84%	0.838	S	S	*	*				82.6	92.4	85.7	0	0	0	0	0	112.7
5	V	30	Very low	31	Very low	145 Å²	145	152.1 Å²	152.1	88%	0.879	85%	0.845	S	S	*	*			trans	22.2	118	137.6	-167.3	0	0	0	0	117.7
6	S	35.1	Very low	30.8	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	83%	0.834	S	S	*	*			trans	-127.9	114.8	151.4	-176.3	0	0	0	0	108.5
7	S	32.5	Very low	30.9	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	84%	0.837	S	S	*	*			trans	-63.9	131.1	178.2	41.5	0	0	0	0	112.3
8	V	33.8	Very low	31.3	Very low	129 Å²	129	148.3 Å²	148.3	78%	0.782	84%	0.839	S	S	*	*			trans	-105.8	107.3	169.2	176.6	0	0	0	0	107.7	T10	V8-T10 PolarHBondContact O-N 2.65Å
9	E	31.2	Very low	31.4	Very low	197 Å²	197	143.9 Å²	143.9	92%	0.921	83%	0.831	S	S	*	*			trans	-73.8	101.4	169.2	-90.2	177.7	148.9	0	0	109.9
10	T	26.7	Very low	31.8	Very low	112 Å²	112	141.8 Å²	141.8	69%	0.687	82%	0.823	S	S	*	*			trans	-88	122.9	159.6	40.9	0	0	0	0	109.5	V8	V8-T10 PolarHBondContact O-N 2.65Å
11	T	26	Very low	32.2	Very low	133 Å²	133	140.9 Å²	140.9	82%	0.816	82%	0.822	S	S	*	*			trans	167.3	102	134.3	40.4	0	0	0	0	111.7
12	K	31.8	Very low	32.4	Very low	208 Å²	208	137.3 Å²	137.3	90%	0.904	81%	0.807	S	S	*	*			trans	-128.3	112.7	139.3	-89.7	-174.2	179.3	175.5	0	106.9
13	K	32.7	Very low	32.7	Very low	199 Å²	199	140.8 Å²	140.8	87%	0.865	81%	0.809	S	S	*	*			trans	-86.3	109.9	-170.1	-158.7	174.8	-176.3	178.5	0	107.3	K15	K13-K15 PolarHBondContact O-N 2.83Å
14	D	30.3	Very low	32.7	Very low	153 Å²	153	139.6 Å²	139.6	82%	0.818	80%	0.803	S	S	*	*			trans	-60.5	120.9	173.3	-74.5	-40.8	0	0	0	110	S16	D14-S16 PolarHBondContact O-N 3.15Å
15	K	29	Very low	32.6	Very low	218 Å²	218	140.7 Å²	140.7	95%	0.948	80%	0.801	S	S	*	*			trans	-82	88.9	173	-77.9	-177.9	174.1	-178.7	0	108.3	K13	K13-K15 PolarHBondContact O-N 2.83Å
16	S	28	Very low	32.5	Very low	95 Å²	95	141 Å²	141	66%	0.664	79%	0.794	S	S	*	*			trans	-100.9	131.4	167.5	66	0	0	0	0	110.9	D14	D14-S16 PolarHBondContact O-N 3.15Å
17	L	32.7	Very low	32.3	Very low	168 Å²	168	141 Å²	141	88%	0.88	79%	0.794	S	S	*	*			trans	74.7	80.4	153.6	-59.2	159.8	0	0	0	116.7	G19	L17-G19 PolarHBondContact O-N 2.92Å
18	S	37.4	Very low	32	Very low	125 Å²	125	144.8 Å²	144.8	87%	0.874	80%	0.801	S	S	*	*			trans	-73.9	96.3	157.7	54.8	0	0	0	0	109.4
19	G	33.8	Very low	31.7	Very low	66 Å²	66	144 Å²	144	68%	0.68	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.1	138	166.4	0	0	0	0	0	110.8	L17	L17-G19 PolarHBondContact O-N 2.92Å
20	C	39.2	Very low	31.7	Very low	100 Å²	100	140.7 Å²	140.7	68%	0.676	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.3	124.4	180	-55.9	0	0	0	0	110.8	L22	C20-L22 PolarHBondContact O-N 3.18Å
21	P	40.2	Very low	31.7	Very low	124 Å²	124	143 Å²	143	81%	0.805	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71	128	172.8	-10.9	26.2	0	0	0	110.1	D23	P21-D23 PolarHBondContact O-N 3.39Å
22	L	38.8	Very low	31.8	Very low	173 Å²	173	143.8 Å²	143.8	91%	0.906	80%	0.801	S	S	*	*			trans	-72.2	113.5	166.4	-70.9	156.6	0	0	0	107.6	C20 D24	C20-L22 PolarHBondContact O-N 3.18Å; L22-D24 PolarHBondContact O-N 3.29Å
23	D	32.1	Very low	31.6	Very low	143 Å²	143	139.2 Å²	139.2	77%	0.765	79%	0.79	S	S	*	*			trans	-88.9	101.7	169.8	-148.4	-1.7	0	0	0	107.9	P21 T25	P21-D23 PolarHBondContact O-N 3.39Å; D23-T25 PolarHBondContact O-N 3.44Å
24	D	31.6	Very low	31.4	Very low	140 Å²	140	139.1 Å²	139.1	75%	0.749	79%	0.793	S	S	*	*			trans	-95	65.5	-175	-149.6	10.6	0	0	0	109	L22 M26	L22-D24 PolarHBondContact O-N 3.29Å; D24-M26 PolarHBondContact O-N 3.2Å
25	T	32.1	Very low	31.4	Very low	110 Å²	110	136 Å²	136	68%	0.675	79%	0.788	S	S	*	*			trans	-97.4	85.9	174.9	59	0	0	0	0	110.9	D23	D23-T25 PolarHBondContact O-N 3.44Å
26	M	27	Very low	31.3	Very low	151 Å²	151	131.8 Å²	131.8	74%	0.744	78%	0.776	S	S	*	*			trans	25.6	101.4	138.5	-64.4	-73.8	120.3	0	0	117.3	D24	D24-M26 PolarHBondContact O-N 3.2Å
27	S	32.6	Very low	31.4	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	79%	0.787	S	S	*	*			trans	-122.6	99.8	149.5	71.8	0	0	0	0	109.2	C29	S27-C29 PolarHBondContact O-N 2.75Å
28	Q	25.8	Very low	31.3	Very low	182 Å²	182	133.7 Å²	133.7	85%	0.85	77%	0.771	S	S	*	*			trans	-60.3	123.9	171.1	-79.6	152.9	-41.5	0	0	110.4
29	C	26.3	Very low	31.1	Very low	112 Å²	112	135.4 Å²	135.4	76%	0.757	77%	0.765	S	S	*	*			trans	-126.7	135.2	153.1	-75	0	0	0	0	108.5	S27	S27-C29 PolarHBondContact O-N 2.75Å
30	P	31.1	Very low	31.2	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	77%	0.766	S	S	*	*			trans	-77.9	137.2	-167	-1.5	20.7	0	0	0	110.8	D32	P30-D32 PolarHBondContact O-N 3.35Å
31	I	27.8	Very low	31.3	Very low	162 Å²	162	139.5 Å²	139.5	83%	0.831	76%	0.757	S	S	*	*			trans	-82.5	109.5	-179.7	-65.5	163.4	0	0	0	108.4
32	D	27.1	Very low	31.8	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	75%	0.75	S	S	*	*			trans	-125.4	104.6	159.1	-78.9	-31.8	0	0	0	109.1	P30	P30-D32 PolarHBondContact O-N 3.35Å
33	T	27.9	Very low	32.6	Very low	112 Å²	112	131.4 Å²	131.4	69%	0.687	72%	0.717	S	S	*	*			trans	35.4	115.3	147.7	29.9	0	0	0	0	122	A35	T33-A35 PolarHBondContact O-N 3.43Å
34	E	29.9	Very low	33.9	Very low	196 Å²	196	126.1 Å²	126.1	92%	0.916	69%	0.689	S	S	*	*			trans	61.3	29.3	133.8	-60.5	-166.7	175.8	0	0	120.8
35	A	28.8	Very low	35	Very low	87 Å²	87	125.8 Å²	125.8	72%	0.719	68%	0.684	S	S	*	*			trans	-98.1	90.2	166.1	0	0	0	0	0	111.8	T33	T33-A35 PolarHBondContact O-N 3.43Å
36	N	28.1	Very low	36.1	Very low	130 Å²	130	126 Å²	126	70%	0.695	68%	0.677	S	S	*	*			trans	44.4	90.5	144	-140.9	-25.9	0	0	0	116.5	N38	N36-N38 PolarHBondContact O-N 3.43Å
37	F	29.9	Very low	37.5	Very low	203 Å²	203	121.7 Å²	121.7	89%	0.89	66%	0.657	S	S	*	*	S	Bend	trans	-63.8	42.3	178.3	-77.6	-84.2	0	0	0	115.9	E39	F37-E39 VanDerWaalsContact C-N 3.31Å
38	N	30.7	Very low	38.6	Very low	101 Å²	101	119 Å²	119	54%	0.54	64%	0.636	S	S	.	*			trans	-104	25.3	166.5	-72.1	-35.2	0	0	0	110.7	N36 Y40 V49	N36-N38 PolarHBondContact O-N 3.43Å; N38-Y40 PolarHBondContact O-N 3.17Å; N38-V49 HydrophobicContact CB-CG1 4.41Å; N38-V49 HydrophobicContact CB-CG2 3.92Å; N38-V49 WeakPolarHBondContact O-CG2 3.36Å
39	E	32.4	Very low	40.4	Very low	161 Å²	161	114 Å²	114	75%	0.752	62%	0.618	S	S	*	*			trans	-68.6	126.8	-175.7	-163.2	167.9	-171.5	0	0	110.4	F37 C41	F37-E39 VanDerWaalsContact C-N 3.31Å; E39-C41 PolarHBondContact O-N 3.18Å; E39-C41 VanDerWaalsContact O-N 3.16Å
40	Y	35.7	Very low	42.4	Very low	179 Å²	179	111.1 Å²	111.1	70%	0.702	60%	0.602	S	S	*	*			trans	-27.2	114.8	171.7	-73.4	-99.7	0	0	0	111.9	N38 P42	N38-Y40 PolarHBondContact O-N 3.17Å; Y40-P42 WeakPolarHBondContact O-CD 3.31Å
41	C	42.4	Very low	44.7	Very low	72 Å²	72	108.3 Å²	108.3	49%	0.486	58%	0.58	S	S	.	*			trans	-63	109.9	163.7	-82.5	0	0	0	0	107.2	E39 A43 N44	E39-C41 PolarHBondContact O-N 3.18Å; E39-C41 VanDerWaalsContact O-N 3.16Å; C41-A43 PolarHBondContact O-N 2.94Å; C41-A43 VanDerWaalsContact O-N 3.14Å; C41-N44 HydrophobicContact CB-CB 4.21Å; C41-N44 CarbonylContact O-C 3.6Å; C41-N44 WeakPolarHBondContact O-CA 3.43Å; C41-N44 PolarHBondContact O-N 3.17Å
42	P	49	Very low	47.5	Very low	102 Å²	102	103 Å²	103	66%	0.662	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-65.5	-22.6	-176.8	25.9	-31.9	0	0	0	111.6	Y40 N44 M45	Y40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-N44 PolarHBondContact O-N 3.21Å; P42-M45 WeakPolarHBondContact O-CG 3.47Å
43	A	55.7	Low	50.5	Low	26 Å²	26	100 Å²	100	22%	0.215	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-63.9	-19.3	171.9	0	0	0	0	0	113.2	C41 W80 S145	C41-A43 PolarHBondContact O-N 2.94Å; C41-A43 VanDerWaalsContact O-N 3.14Å; A43-W80 HydrophobicContact CB-CH2 3.7Å; A43-W80 HydrophobicContact CB-CZ2 4.22Å; A43-S145 VanDerWaalsContact O-CA 3.29Å; A43-S145 WeakPolarHBondContact O-CA 3.44Å; A43-S145 WeakPolarHBondContact O-CB 3.4Å
44	N	60.9	Low	53.5	Low	31 Å²	31	98.9 Å²	98.9	17%	0.166	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-121	58.5	-178.3	-147	-1	0	0	0	108.9	C41 P42 Q46 M47 F146	C41-N44 HydrophobicContact CB-CB 4.21Å; C41-N44 CarbonylContact O-C 3.6Å; C41-N44 WeakPolarHBondContact O-CA 3.43Å; C41-N44 PolarHBondContact O-N 3.17Å; P42-N44 PolarHBondContact O-N 3.21Å; N44-Q46 PolarHBondContact O-N 2.83Å; N44-M47 HydrophobicContact CB-CB 4.25Å; N44-M47 WeakPolarHBondContact ND2-CB 3.23Å; N44-M47 WeakPolarHBondContact ND2-CG 3.34Å; N44-M47 PolarHBondContact O-N 3.5Å; N44-M47 VanDerWaalsContact OD1-CG 3.25Å; N44-M47 WeakPolarHBondContact OD1-CG 3.42Å; N44-F146 WeakPolarHBondContact OD1-CE2 3.17Å; N44-F146 WeakPolarHBondContact OD1-CZ 3.44Å
45	M	54.9	Low	56.2	Low	133 Å²	133	90.2 Å²	90.2	66%	0.655	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-8.2	-168.1	-70.8	-152.7	-170.1	0	0	116.2	P42	P42-M45 WeakPolarHBondContact O-CG 3.47Å
46	Q	53.3	Low	59	Low	114 Å²	114	92.9 Å²	92.9	53%	0.533	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	2.5	-179.5	-148.9	64.3	66.2	0	0	114.8	N44 P48	N44-Q46 PolarHBondContact O-N 2.83Å; Q46-P48 WeakPolarHBondContact O-CD 3.21Å
47	M	57.2	Low	61.7	Low	62 Å²	62	92.3 Å²	92.3	31%	0.305	50%	0.503	S	S	.	.			trans	-106	106.9	-177.7	-68.8	-71	-76.1	0	0	110.2	N44	N44-M47 HydrophobicContact CB-CB 4.25Å; N44-M47 WeakPolarHBondContact ND2-CB 3.23Å; N44-M47 WeakPolarHBondContact ND2-CG 3.34Å; N44-M47 PolarHBondContact O-N 3.5Å; N44-M47 VanDerWaalsContact OD1-CG 3.25Å; N44-M47 WeakPolarHBondContact OD1-CG 3.42Å
48	P	56.7	Low	64.5	Low	57 Å²	57	84 Å²	84	37%	0.37	47%	0.466	S	S	.	.			trans	-66.6	166.4	167.9	28.8	-32.9	0	0	0	110.5	Q46	Q46-P48 WeakPolarHBondContact O-CD 3.21Å
49	V	62.3	Low	67.3	Low	79 Å²	79	81.7 Å²	81.7	48%	0.479	46%	0.457	S	S	.	.			trans	-44.1	141.2	-173.9	-176	0	0	0	0	112.3	N38 D51	N38-V49 HydrophobicContact CB-CG1 4.41Å; N38-V49 HydrophobicContact CB-CG2 3.92Å; N38-V49 WeakPolarHBondContact O-CG2 3.36Å; V49-D51 VanDerWaalsContact C-N 3.26Å; V49-D51 PolarHBondContact O-N 2.77Å
50	A	69.3	Low	70.1	Confident	51 Å²	51	75.9 Å²	75.9	42%	0.421	43%	0.43	S	S	.	.			trans	-66.6	77.1	-176.9	0	0	0	0	0	112.3	Q52 M87	A50-Q52 PolarHBondContact O-N 3.45Å; A50-M87 HydrophobicContact CB-CE 3.44Å; A50-M87 VanDerWaalsContact CB-CE 3.44Å; A50-M87 HydrophobicContact CB-CG 4.42Å; A50-M87 HydrophobicContact CB-SD 3.88Å
51	D	78.8	Confident	72.7	Confident	68 Å²	68	72 Å²	72	36%	0.364	43%	0.426	S	S	.	.			trans	-72.6	113.6	172.9	-176.5	9.7	0	0	0	110.5	V49 T53 N90	V49-D51 VanDerWaalsContact C-N 3.26Å; V49-D51 PolarHBondContact O-N 2.77Å; D51-T53 WeakPolarHBondContact OD1-CB 3.49Å; D51-T53 PolarHBondContact OD1-N 3.23Å; D51-T53 PolarHBondContact OD1-OG1 3.2Å; D51-T53 PolarHBondContact OD2-OG1 2.83Å; D51-N90 PolarHBondContact O-ND2 2.9Å
52	Q	87	Confident	75.1	Confident	49 Å²	49	69.3 Å²	69.3	23%	0.229	41%	0.407	C	S	.	.			trans	-106.1	7.7	179.6	-64.7	-88.7	15.7	0	0	111.6	A50 T64 S84 Q86 M87	A50-Q52 PolarHBondContact O-N 3.45Å; Q52-T64 HydrophobicContact CB-CG2 4.18Å; Q52-T64 PolarHBondContact NE2-O 3.18Å; Q52-S84 VanDerWaalsContact CD-OG 3.24Å; Q52-S84 PolarHBondContact NE2-OG 2.97Å; Q52-S84 VanDerWaalsContact NE2-OG 3.13Å; Q52-S84 PolarHBondContact OE1-OG 3Å; Q52-Q86 VanDerWaalsContact O-CG 3.23Å; Q52-Q86 WeakPolarHBondContact O-CG 3.48Å; Q52-M87 VanDerWaalsContact CD-CG 3.45Å; Q52-M87 HydrophobicContact CG-CG 4.03Å; Q52-M87 VanDerWaalsContact NE2-CG 3.34Å; Q52-M87 PolarHBondContact NE2-SD 3.26Å
53	T	89.6	Confident	77.3	Confident	88 Å²	88	66.5 Å²	66.5	54%	0.54	39%	0.39	S	S	.	.	S	Bend	trans	-75.6	133.4	176.1	56.7	0	0	0	0	110.3	D51 N90	D51-T53 WeakPolarHBondContact OD1-CB 3.49Å; D51-T53 PolarHBondContact OD1-N 3.23Å; D51-T53 PolarHBondContact OD1-OG1 3.2Å; D51-T53 PolarHBondContact OD2-OG1 2.83Å; T53-N90 PolarHBondContact O-ND2 2.76Å
54	P	90.8	Very high	79.1	Confident	87 Å²	87	69.1 Å²	69.1	57%	0.565	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-59.8	139.7	174	-25.3	35.3	0	0	0	111.8
55	A	87.5	Confident	80.6	Confident	15 Å²	15	74.8 Å²	74.8	12%	0.124	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-68.2	147.2	173.7	0	0	0	0	0	110.4	D57 Q58 L93	A55-D57 PolarHBondContact O-N 2.84Å; A55-D57 VanDerWaalsContact O-N 3.14Å; A55-Q58 HydrophobicContact CB-CB 4.27Å; A55-Q58 WeakPolarHBondContact O-CB 3.49Å; A55-Q58 PolarHBondContact O-N 3.05Å; A55-L93 HydrophobicContact CB-CD1 3.55Å
56	P	87.2	Confident	82.4	Confident	143 Å²	143	73.7 Å²	73.7	93%	0.929	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.4	-177.1	-26.6	34.7	0	0	0	114.9
57	D	85.1	Confident	84.3	Confident	117 Å²	117	73.1 Å²	73.1	63%	0.626	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	14.3	-179	63.7	-23.7	0	0	0	113.2	A55 P59	A55-D57 PolarHBondContact O-N 2.84Å; A55-D57 VanDerWaalsContact O-N 3.14Å; D57-P59 WeakPolarHBondContact O-CD 3.4Å
58	Q	89.2	Confident	86.1	Confident	28 Å²	28	76.1 Å²	76.1	13%	0.131	43%	0.431	C	S	.	.			trans	-70.3	120.9	-179	-171.2	176	-53.3	0	0	111.1	A55 F60 Q86 W89	A55-Q58 HydrophobicContact CB-CB 4.27Å; A55-Q58 WeakPolarHBondContact O-CB 3.49Å; A55-Q58 PolarHBondContact O-N 3.05Å; Q58-F60 VanDerWaalsContact C-N 3.34Å; Q58-F60 VanDerWaalsContact CG-O 3.32Å; Q58-F60 WeakPolarHBondContact CG-O 3.32Å; Q58-F60 PolarHBondContact NE2-O 3.25Å; Q58-F60 PolarHBondContact O-N 3.14Å; Q58-Q86 VanDerWaalsContact OE1-OE1 3.06Å; Q58-W89 HydrophobicContact CG-CZ2 4.08Å
59	P	88.2	Confident	88	Confident	53 Å²	53	73.6 Å²	73.6	34%	0.344	42%	0.415	S	S	.	.	S	Bend	trans	-76.7	-16	-169.6	27.9	-34.7	0	0	0	114.7	D57 W89 Q101	D57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-W89 HydrophobicContact CG-CH2 4.25Å; P59-Q101 HydrophobicContact CB-CG 4.13Å
60	F	90.6	Very high	89.6	Confident	40 Å²	40	72.6 Å²	72.6	18%	0.175	41%	0.411	C	S	.	.	S	Bend	trans	-152.5	153.8	-179.3	42.7	-103.9	0	0	0	111.1	Q58 L62 W89 I104 T105 Q106	Q58-F60 VanDerWaalsContact C-N 3.34Å; Q58-F60 VanDerWaalsContact CG-O 3.32Å; Q58-F60 WeakPolarHBondContact CG-O 3.32Å; Q58-F60 PolarHBondContact NE2-O 3.25Å; Q58-F60 PolarHBondContact O-N 3.14Å; F60-L62 HydrophobicContact CD2-CD2 3.86Å; F60-L62 HydrophobicContact CD2-CG 4.27Å; F60-L62 HydrophobicContact CE2-CD2 3.63Å; F60-L62 HydrophobicContact CE2-CG 4.27Å; F60-W89 HydrophobicContact CE2-CZ3 4.36Å; F60-W89 HydrophobicContact CZ-CZ3 4.19Å; F60-I104 WeakPolarHBondContact CE1-O 3.47Å; F60-I104 HydrophobicContact CZ-CG2 4.27Å; F60-T105 VanDerWaalsContact CZ-C 3.46Å; F60-Q106 HydrophobicContact CD2-CB 3.74Å; F60-Q106 HydrophobicContact CD2-CG 4.06Å; F60-Q106 HydrophobicContact CE2-CB 4Å; F60-Q106 HydrophobicContact CE2-CG 4.48Å; F60-Q106 HydrophobicContact CG-CB 4.08Å
61	P	91.7	Very high	91	Very high	97 Å²	97	70.3 Å²	70.3	63%	0.63	39%	0.392	S	S	*	.			trans	-64.4	144.2	176.1	27.4	-34.4	0	0	0	110.8	Q106	P61-Q106 PolarHBondContact O-NE2 2.99Å
62	L	93.3	Very high	91.9	Very high	15 Å²	15	68.8 Å²	68.8	8%	0.079	39%	0.386	C	S	.	.			trans	-118.5	146.4	174.6	-70.5	175.1	0	0	0	109.8	F60 Q85 Q86 W89 M109	F60-L62 HydrophobicContact CD2-CD2 3.86Å; F60-L62 HydrophobicContact CD2-CG 4.27Å; F60-L62 HydrophobicContact CE2-CD2 3.63Å; F60-L62 HydrophobicContact CE2-CG 4.27Å; L62-Q85 HydrophobicContact CB-CB 3.94Å; L62-Q85 HydrophobicContact CD2-CB 4.09Å; L62-Q85 HydrophobicContact CG-CB 4.46Å; L62-Q86 HydrophobicContact CB-CB 4.2Å; L62-W89 HydrophobicContact CD1-CB 3.42Å; L62-W89 VanDerWaalsContact CD1-CB 3.42Å; L62-W89 HydrophobicContact CD1-CD2 3.72Å; L62-W89 HydrophobicContact CD1-CE3 3.69Å; L62-W89 HydrophobicContact CD1-CG 3.62Å; L62-M109 HydrophobicContact CD2-CB 4.05Å; L62-M109 HydrophobicContact CD2-CG 3.74Å
63	S	93.9	Very high	92.3	Very high	44 Å²	44	68.7 Å²	68.7	31%	0.308	38%	0.384	S	S	.	.			trans	-66	136.9	177.3	-176.3	0	0	0	0	111	E65 S84 Q85 Q86	S63-E65 VanDerWaalsContact OG-CB 3.26Å; S63-E65 WeakPolarHBondContact OG-CB 3.29Å; S63-E65 PolarHBondContact OG-N 3.12Å; S63-E65 VanDerWaalsContact OG-N 3.12Å; S63-S84 WeakPolarHBondContact O-CB 3.2Å; S63-Q85 WeakPolarHBondContact O-CB 3.43Å; S63-Q85 PolarHBondContact O-N 3.17Å; S63-Q85 VanDerWaalsContact O-N 3.16Å; S63-Q86 PolarHBondContact O-N 3.44Å; S63-Q86 VanDerWaalsContact O-N 3.07Å
64	T	92.9	Very high	92.5	Very high	81 Å²	81	65.3 Å²	65.3	50%	0.497	37%	0.365	S	S	.	.			trans	-92.8	-4	171.2	56.8	0	0	0	0	112.4	Q52 S84 Q86	Q52-T64 HydrophobicContact CB-CG2 4.18Å; Q52-T64 PolarHBondContact NE2-O 3.18Å; T64-S84 VanDerWaalsContact O-CB 3.24Å; T64-S84 WeakPolarHBondContact O-CB 3.47Å; T64-Q86 HydrophobicContact CG2-CB 4.12Å; T64-Q86 HydrophobicContact CG2-CG 4.44Å
65	E	92.6	Very high	92.6	Very high	149 Å²	149	65 Å²	65	70%	0.696	38%	0.379	S	S	*	.			trans	-63.9	136.7	178.3	-171.1	177.6	-171.2	0	0	111.1	S63 S84	S63-E65 VanDerWaalsContact OG-CB 3.26Å; S63-E65 WeakPolarHBondContact OG-CB 3.29Å; S63-E65 PolarHBondContact OG-N 3.12Å; S63-E65 VanDerWaalsContact OG-N 3.12Å; E65-S84 VanDerWaalsContact O-CA 3.31Å; E65-S84 WeakPolarHBondContact O-CA 3.3Å; E65-S84 WeakPolarHBondContact O-CB 3.4Å
66	R	93	Very high	92.8	Very high	111 Å²	111	66.4 Å²	66.4	42%	0.419	39%	0.386	S	S	.	.			trans	-112.1	140.3	178.2	-64.2	-178.1	68.5	-170.7	1.7	109.5	S81 Y82 M87	R66-S81 VanDerWaalsContact CZ-OG 3.25Å; R66-S81 PolarHBondContact NH2-O 3.13Å; R66-S81 PolarHBondContact NH2-OG 3.1Å; R66-Y82 PolarHBondContact NE-O 3.42Å; R66-M87 HydrophobicContact CG-SD 4.3Å
67	E	93.4	Very high	93.1	Very high	102 Å²	102	67.3 Å²	67.3	48%	0.477	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-96.2	136.4	176.5	-66	177.7	-177.7	0	0	110.1	S81 Y82 N117	E67-S81 CarbonylContact O-C 3.52Å; E67-S81 WeakPolarHBondContact O-CA 3.22Å; E67-Y82 PolarHBondContact O-N 3.38Å; E67-N117 PolarHBondContact OE2-ND2 3.24Å
68	L	95.7	Very high	93.5	Very high	125 Å²	125	68 Å²	68	65%	0.654	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.5	173.5	-166.9	72.4	0	0	0	109.3	K79	L68-K79 HydrophobicContact CD1-CB 3.99Å; L68-K79 HydrophobicContact CD2-CB 4.43Å; L68-K79 HydrophobicContact CD2-CD 4.45Å; L68-K79 HydrophobicContact CG-CB 4.06Å
69	S	96.4	Very high	93.9	Very high	4 Å²	4	71.3 Å²	71.3	3%	0.028	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	170.7	176.7	80.9	0	0	0	0	111.6	I71 K79 W80 Y82 E121	S69-I71 VanDerWaalsContact C-N 3.27Å; S69-I71 WeakPolarHBondContact OG-CB 3.21Å; S69-I71 PolarHBondContact OG-N 3.35Å; S69-I71 PolarHBondContact OG-O 3.42Å; S69-K79 WeakPolarHBondContact O-CD 3.37Å; S69-W80 WeakPolarHBondContact CB-O 3.37Å; S69-W80 PolarHBondContact N-O 2.9Å; S69-W80 WeakPolarHBondContact OG-CB 3.38Å; S69-W80 PolarHBondContact OG-O 2.84Å; S69-Y82 VanDerWaalsContact CB-CE2 3.43Å; S69-E121 VanDerWaalsContact CA-OE1 3.27Å; S69-E121 WeakPolarHBondContact CA-OE1 3.32Å; S69-E121 VanDerWaalsContact CB-OE1 3.23Å; S69-E121 WeakPolarHBondContact CB-OE1 3.24Å
70	S	96.3	Very high	94.2	Very high	57 Å²	57	70 Å²	70	40%	0.399	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-11.5	167.3	85.9	0	0	0	0	112.9	P72 E121	S70-P72 WeakPolarHBondContact O-CD 3.33Å; S70-E121 VanDerWaalsContact CB-OE2 3.22Å; S70-E121 WeakPolarHBondContact CB-OE2 3.27Å; S70-E121 PolarHBondContact N-OE1 3.31Å; S70-E121 PolarHBondContact OG-OE2 3.36Å
71	I	97.5	Very high	94.3	Very high	3 Å²	3	70.2 Å²	70.2	2%	0.015	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.2	-167.1	-48.1	178.6	0	0	0	110.5	S69 K79 W80 W124 L143 W174	S69-I71 VanDerWaalsContact C-N 3.27Å; S69-I71 WeakPolarHBondContact OG-CB 3.21Å; S69-I71 PolarHBondContact OG-N 3.35Å; S69-I71 PolarHBondContact OG-O 3.42Å; I71-K79 VanDerWaalsContact O-CA 3.3Å; I71-K79 WeakPolarHBondContact O-CA 3.31Å; I71-K79 WeakPolarHBondContact O-CB 3.16Å; I71-W80 PolarHBondContact O-N 3.27Å; I71-W124 HydrophobicContact CB-CD2 4.45Å; I71-W124 HydrophobicContact CB-CG 4.36Å; I71-W124 HydrophobicContact CD1-CB 3.84Å; I71-W124 HydrophobicContact CD1-CG 4.16Å; I71-W124 HydrophobicContact CG1-CB 3.85Å; I71-W124 HydrophobicContact CG1-CD2 4.25Å; I71-W124 HydrophobicContact CG1-CG 3.7Å; I71-W124 HydrophobicContact CG2-CD2 3.76Å; I71-W124 HydrophobicContact CG2-CE3 3.96Å; I71-W124 HydrophobicContact CG2-CG 4.14Å; I71-W124 HydrophobicContact CG2-CH2 4.48Å; I71-W124 HydrophobicContact CG2-CZ2 4.3Å; I71-W124 HydrophobicContact CG2-CZ3 4.31Å; I71-L143 HydrophobicContact CG2-CB 3.54Å; I71-L143 HydrophobicContact CG2-CD2 3.86Å; I71-L143 HydrophobicContact CG2-CG 4.34Å; I71-W174 HydrophobicContact CD1-CH2 3.77Å; I71-W174 HydrophobicContact CD1-CZ3 4Å
72	P	97.5	Very high	94.4	Very high	36 Å²	36	66.5 Å²	66.5	23%	0.234	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	142	177.8	28.4	-31.9	0	0	0	111.7	S70 W124 K142 L143	S70-P72 WeakPolarHBondContact O-CD 3.33Å; P72-W124 HydrophobicContact CG-CZ2 4.04Å; P72-K142 HydrophobicContact CB-CB 4.47Å; P72-K142 HydrophobicContact CB-CD 4.45Å; P72-K142 HydrophobicContact CB-CG 4.02Å; P72-K142 HydrophobicContact CG-CB 4.4Å; P72-K142 HydrophobicContact CG-CG 4.1Å; P72-L143 PolarHBondContact O-N 2.95Å
73	K	96	Very high	94.3	Very high	47 Å²	47	67 Å²	67	20%	0.204	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-94.5	125.2	-179.7	-179	178.6	-179.5	-168.9	0	111.1	T76 E78 W80	K73-T76 HydrophobicContact CD-CG2 4.48Å; K73-T76 PolarHBondContact O-N 3.03Å; K73-T76 VanDerWaalsContact O-O 3.13Å; K73-T76 PolarHBondContact O-OG1 2.77Å; K73-T76 VanDerWaalsContact O-OG1 3.11Å; K73-E78 WeakPolarHBondContact CB-O 3.37Å; K73-E78 PolarHBondContact N-O 2.73Å; K73-W80 HydrophobicContact CB-CD2 4.41Å; K73-W80 HydrophobicContact CB-CG 4.36Å; K73-W80 HydrophobicContact CD-CD2 4.39Å; K73-W80 HydrophobicContact CD-CZ2 4.26Å; K73-W80 HydrophobicContact CG-CD2 4.32Å; K73-W80 HydrophobicContact CG-CZ2 3.85Å
74	A	94.9	Very high	94.3	Very high	17 Å²	17	65 Å²	65	14%	0.14	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	149.5	178.8	0	0	0	0	0	111.7	T76 K142 L143 K144 D177	A74-T76 PolarHBondContact O-N 3.06Å; A74-K142 HydrophobicContact CB-CB 3.97Å; A74-L143 PolarHBondContact N-O 3.06Å; A74-K144 HydrophobicContact CB-CB 3.88Å; A74-K144 HydrophobicContact CB-CG 4.29Å; A74-D177 HydrophobicContact CB-CB 3.76Å
75	G	92.2	Very high	94.3	Very high	82 Å²	82	62.6 Å²	62.6	85%	0.845	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-0.3	-175.7	0	0	0	0	0	115.3
76	T	92.3	Very high	94.4	Very high	44 Å²	44	55.6 Å²	55.6	27%	0.27	31%	0.305	S	S	.	.	S	Bend	trans	-138.6	173.9	178.8	72.5	0	0	0	0	111.2	K73 A74 E78 K142	K73-T76 HydrophobicContact CD-CG2 4.48Å; K73-T76 PolarHBondContact O-N 3.03Å; K73-T76 VanDerWaalsContact O-O 3.13Å; K73-T76 PolarHBondContact O-OG1 2.77Å; K73-T76 VanDerWaalsContact O-OG1 3.11Å; A74-T76 PolarHBondContact O-N 3.06Å; T76-E78 PolarHBondContact OG1-N 3.41Å; T76-K142 PolarHBondContact O-NZ 2.78Å
77	N	92	Very high	94.4	Very high	162 Å²	162	51.1 Å²	51.1	87%	0.866	29%	0.289	S	S	*	.	S	Bend	trans	-99.9	11.9	168.5	-68.9	-29.7	0	0	0	112.5
78	E	94.8	Very high	94.2	Very high	130 Å²	130	48 Å²	48	61%	0.607	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-94.4	165.7	-178.2	-61.2	-179	170.8	0	0	111.4	K73 T76	K73-E78 WeakPolarHBondContact CB-O 3.37Å; K73-E78 PolarHBondContact N-O 2.73Å; T76-E78 PolarHBondContact OG1-N 3.41Å
79	K	96	Very high	94	Very high	99 Å²	99	42.2 Å²	42.2	43%	0.43	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	157.3	169.1	-61.6	-173.9	-175.6	178.8	0	110.1	L68 S69 I71	L68-K79 HydrophobicContact CD1-CB 3.99Å; L68-K79 HydrophobicContact CD2-CB 4.43Å; L68-K79 HydrophobicContact CD2-CD 4.45Å; L68-K79 HydrophobicContact CG-CB 4.06Å; S69-K79 WeakPolarHBondContact O-CD 3.37Å; I71-K79 VanDerWaalsContact O-CA 3.3Å; I71-K79 WeakPolarHBondContact O-CA 3.31Å; I71-K79 WeakPolarHBondContact O-CB 3.16Å
80	W	95.2	Very high	93.8	Very high	25 Å²	25	42.5 Å²	42.5	10%	0.095	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	152	172.4	-71.5	93.9	0	0	0	110.8	A43 S69 I71 K73 L143 F146	A43-W80 HydrophobicContact CB-CH2 3.7Å; A43-W80 HydrophobicContact CB-CZ2 4.22Å; S69-W80 WeakPolarHBondContact CB-O 3.37Å; S69-W80 PolarHBondContact N-O 2.9Å; S69-W80 WeakPolarHBondContact OG-CB 3.38Å; S69-W80 PolarHBondContact OG-O 2.84Å; I71-W80 PolarHBondContact O-N 3.27Å; K73-W80 HydrophobicContact CB-CD2 4.41Å; K73-W80 HydrophobicContact CB-CG 4.36Å; K73-W80 HydrophobicContact CD-CD2 4.39Å; K73-W80 HydrophobicContact CD-CZ2 4.26Å; K73-W80 HydrophobicContact CG-CD2 4.32Å; K73-W80 HydrophobicContact CG-CZ2 3.85Å; W80-L143 PolarHBondContact NE1-O 3.43Å; W80-L143 VanDerWaalsContact NE1-O 3.15Å; W80-F146 HydrophobicContact CD2-CE1 4.34Å; W80-F146 AromaticContact CE3-CE1 3.85Å; W80-F146 HydrophobicContact CE3-CE1 3.85Å; W80-F146 HydrophobicContact CH2-CD1 4.36Å; W80-F146 AromaticContact CH2-CE1 3.98Å; W80-F146 HydrophobicContact CH2-CE1 3.98Å; W80-F146 HydrophobicContact CZ2-CE1 4.48Å; W80-F146 HydrophobicContact CZ3-CD1 4.46Å; W80-F146 AromaticContact CZ3-CE1 3.66Å; W80-F146 HydrophobicContact CZ3-CE1 3.66Å
81	S	93.8	Very high	93.4	Very high	45 Å²	45	40.5 Å²	40.5	32%	0.315	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130	174.3	41.3	0	0	0	0	109.6	R66 E67	R66-S81 VanDerWaalsContact CZ-OG 3.25Å; R66-S81 PolarHBondContact NH2-O 3.13Å; R66-S81 PolarHBondContact NH2-OG 3.1Å; E67-S81 CarbonylContact O-C 3.52Å; E67-S81 WeakPolarHBondContact O-CA 3.22Å
82	Y	93.7	Very high	92.9	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.075	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.6	154.9	179	-67.4	-55.5	0	0	0	111.2	R66 E67 S69 N117 N120 E121	R66-Y82 PolarHBondContact NE-O 3.42Å; E67-Y82 PolarHBondContact O-N 3.38Å; S69-Y82 VanDerWaalsContact CB-CE2 3.43Å; Y82-N117 WeakPolarHBondContact CB-OD1 3.31Å; Y82-N117 HydrophobicContact CD2-CB 3.74Å; Y82-N117 HydrophobicContact CE2-CB 3.82Å; Y82-N117 HydrophobicContact CG-CB 4.26Å; Y82-N120 HydrophobicContact CE1-CB 3.68Å; Y82-N120 VanDerWaalsContact CE1-ND2 3.29Å; Y82-N120 WeakPolarHBondContact CE1-ND2 3.24Å; Y82-N120 VanDerWaalsContact OH-CB 3.23Å; Y82-N120 WeakPolarHBondContact OH-CB 3.49Å; Y82-E121 HydrophobicContact CE2-CG 4.38Å; Y82-E121 PolarHBondContact OH-OE1 3.31Å; Y82-E121 VanDerWaalsContact OH-OE1 3.06Å
83	P	91.2	Very high	92.5	Very high	24 Å²	24	42.1 Å²	42.1	16%	0.156	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.3	145.8	173.2	27.9	-34.2	0	0	0	110.5	M87	P83-M87 HydrophobicContact CB-CB 3.83Å; P83-M87 HydrophobicContact CB-CE 4.09Å; P83-M87 HydrophobicContact CB-SD 4.39Å
84	S	92.6	Very high	92.1	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-69.6	172.7	169.6	70.4	0	0	0	0	111.3	Q52 S63 T64 E65 Q86 M87 F88	Q52-S84 VanDerWaalsContact CD-OG 3.24Å; Q52-S84 PolarHBondContact NE2-OG 2.97Å; Q52-S84 VanDerWaalsContact NE2-OG 3.13Å; Q52-S84 PolarHBondContact OE1-OG 3Å; S63-S84 WeakPolarHBondContact O-CB 3.2Å; T64-S84 VanDerWaalsContact O-CB 3.24Å; T64-S84 WeakPolarHBondContact O-CB 3.47Å; E65-S84 VanDerWaalsContact O-CA 3.31Å; E65-S84 WeakPolarHBondContact O-CA 3.3Å; E65-S84 WeakPolarHBondContact O-CB 3.4Å; S84-Q86 VanDerWaalsContact C-N 3.3Å; S84-Q86 PolarHBondContact O-N 3.12Å; S84-Q86 PolarHBondContact OG-N 3.41Å; S84-M87 PolarHBondContact O-N 3.48Å; S84-M87 WeakPolarHBondContact OG-CB 3.3Å; S84-M87 WeakPolarHBondContact OG-CG 3.33Å; S84-M87 PolarHBondContact OG-N 3.22Å; S84-F88 WeakPolarHBondContact O-CB 3.26Å; S84-F88 PolarHBondContact O-N 3.16Å
85	Q	94	Very high	91.5	Very high	31 Å²	31	52.9 Å²	52.9	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-43.1	172.5	-63.9	170.6	22.1	0	0	112.7	L62 S63 F88 W89 M109 I113	L62-Q85 HydrophobicContact CB-CB 3.94Å; L62-Q85 HydrophobicContact CD2-CB 4.09Å; L62-Q85 HydrophobicContact CG-CB 4.46Å; S63-Q85 WeakPolarHBondContact O-CB 3.43Å; S63-Q85 PolarHBondContact O-N 3.17Å; S63-Q85 VanDerWaalsContact O-N 3.16Å; Q85-F88 PolarHBondContact O-N 2.83Å; Q85-W89 WeakPolarHBondContact O-CB 3.33Å; Q85-W89 PolarHBondContact O-N 3.18Å; Q85-M109 HydrophobicContact CB-CG 4.01Å; Q85-M109 HydrophobicContact CG-CG 4.13Å; Q85-I113 HydrophobicContact CB-CD1 3.73Å; Q85-I113 HydrophobicContact CG-CD1 3.32Å
86	Q	93.9	Very high	91.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-41.7	178.2	-169.4	58.8	68.3	0	0	112.1	Q52 Q58 L62 S63 T64 S84 F88 W89 N90	Q52-Q86 VanDerWaalsContact O-CG 3.23Å; Q52-Q86 WeakPolarHBondContact O-CG 3.48Å; Q58-Q86 VanDerWaalsContact OE1-OE1 3.06Å; L62-Q86 HydrophobicContact CB-CB 4.2Å; S63-Q86 PolarHBondContact O-N 3.44Å; S63-Q86 VanDerWaalsContact O-N 3.07Å; T64-Q86 HydrophobicContact CG2-CB 4.12Å; T64-Q86 HydrophobicContact CG2-CG 4.44Å; S84-Q86 VanDerWaalsContact C-N 3.3Å; S84-Q86 PolarHBondContact O-N 3.12Å; S84-Q86 PolarHBondContact OG-N 3.41Å; Q86-F88 PolarHBondContact O-N 3.17Å; Q86-W89 PolarHBondContact O-N 3.33Å; Q86-N90 PolarHBondContact NE2-OD1 3.43Å; Q86-N90 VanDerWaalsContact NE2-OD1 3.15Å; Q86-N90 WeakPolarHBondContact O-CB 3.48Å; Q86-N90 VanDerWaalsContact O-CG 3.28Å; Q86-N90 PolarHBondContact O-N 2.95Å; Q86-N90 PolarHBondContact O-ND2 3.47Å
87	M	92.4	Very high	90.9	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-43.1	175	-73.8	173.5	68	0	0	112	A50 Q52 R66 P83 S84 N90 A91	A50-M87 HydrophobicContact CB-CE 3.44Å; A50-M87 VanDerWaalsContact CB-CE 3.44Å; A50-M87 HydrophobicContact CB-CG 4.42Å; A50-M87 HydrophobicContact CB-SD 3.88Å; Q52-M87 VanDerWaalsContact CD-CG 3.45Å; Q52-M87 HydrophobicContact CG-CG 4.03Å; Q52-M87 VanDerWaalsContact NE2-CG 3.34Å; Q52-M87 PolarHBondContact NE2-SD 3.26Å; R66-M87 HydrophobicContact CG-SD 4.3Å; P83-M87 HydrophobicContact CB-CB 3.83Å; P83-M87 HydrophobicContact CB-CE 4.09Å; P83-M87 HydrophobicContact CB-SD 4.39Å; S84-M87 PolarHBondContact O-N 3.48Å; S84-M87 WeakPolarHBondContact OG-CB 3.3Å; S84-M87 WeakPolarHBondContact OG-CG 3.33Å; S84-M87 PolarHBondContact OG-N 3.22Å; M87-N90 PolarHBondContact O-N 3.39Å; M87-A91 VanDerWaalsContact O-CB 3.24Å; M87-A91 WeakPolarHBondContact O-CB 3.45Å; M87-A91 PolarHBondContact O-N 3.07Å
88	F	90.8	Very high	90.6	Very high	36 Å²	36	55.2 Å²	55.2	16%	0.158	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-45.7	178.6	-173.4	-85.6	0	0	0	110.9	S84 Q85 Q86 N90 A91 M92 M109 I112 I113	S84-F88 WeakPolarHBondContact O-CB 3.26Å; S84-F88 PolarHBondContact O-N 3.16Å; Q85-F88 PolarHBondContact O-N 2.83Å; Q86-F88 PolarHBondContact O-N 3.17Å; F88-N90 PolarHBondContact O-N 3.38Å; F88-A91 PolarHBondContact O-N 3.25Å; F88-M92 HydrophobicContact CD1-CG 3.98Å; F88-M92 HydrophobicContact CE1-CG 3.63Å; F88-M92 HydrophobicContact CE1-SD 4.34Å; F88-M92 HydrophobicContact CZ-CG 4.13Å; F88-M92 HydrophobicContact CZ-SD 4.3Å; F88-M92 WeakPolarHBondContact O-CG 3.44Å; F88-M92 PolarHBondContact O-N 2.85Å; F88-M109 HydrophobicContact CD1-CE 3.97Å; F88-M109 HydrophobicContact CD1-SD 3.61Å; F88-M109 HydrophobicContact CE1-CE 4.35Å; F88-M109 HydrophobicContact CE1-SD 4.18Å; F88-M109 HydrophobicContact CG-SD 4.43Å; F88-I112 HydrophobicContact CE1-CG2 3.82Å; F88-I112 HydrophobicContact CE2-CG2 4.49Å; F88-I112 HydrophobicContact CZ-CG2 3.74Å; F88-I113 HydrophobicContact CB-CD1 3.91Å; F88-I113 HydrophobicContact CB-CG1 4.31Å; F88-I113 HydrophobicContact CD2-CG1 4.46Å; F88-I113 HydrophobicContact CG-CD1 4.33Å; F88-I113 HydrophobicContact CG-CG1 4.23Å
89	W	91.1	Very high	89.9	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-52.5	175.4	-179.1	-85.3	0	0	0	111.9	Q58 P59 F60 L62 Q85 Q86 A91 M92 L93 W99 I104 M109	Q58-W89 HydrophobicContact CG-CZ2 4.08Å; P59-W89 HydrophobicContact CG-CH2 4.25Å; F60-W89 HydrophobicContact CE2-CZ3 4.36Å; F60-W89 HydrophobicContact CZ-CZ3 4.19Å; L62-W89 HydrophobicContact CD1-CB 3.42Å; L62-W89 VanDerWaalsContact CD1-CB 3.42Å; L62-W89 HydrophobicContact CD1-CD2 3.72Å; L62-W89 HydrophobicContact CD1-CE3 3.69Å; L62-W89 HydrophobicContact CD1-CG 3.62Å; Q85-W89 WeakPolarHBondContact O-CB 3.33Å; Q85-W89 PolarHBondContact O-N 3.18Å; Q86-W89 PolarHBondContact O-N 3.33Å; W89-A91 VanDerWaalsContact C-N 3.29Å; W89-A91 PolarHBondContact O-N 3.3Å; W89-M92 PolarHBondContact O-N 3.15Å; W89-M92 VanDerWaalsContact O-N 3.15Å; W89-L93 PolarHBondContact O-N 3.47Å; W89-W99 AromaticContact CD2-CD1 3.63Å; W89-W99 HydrophobicContact CD2-CG 4.37Å; W89-W99 AromaticContact CD2-NE1 3.49Å; W89-W99 AromaticContact CE2-CD1 3.37Å; W89-W99 AromaticContact CE2-NE1 3.73Å; W89-W99 AromaticContact CE3-CD1 3.74Å; W89-W99 HydrophobicContact CE3-CD2 4.11Å; W89-W99 AromaticContact CE3-CE2 3.81Å; W89-W99 HydrophobicContact CE3-CG 4.07Å; W89-W99 HydrophobicContact CE3-CZ2 4.43Å; W89-W99 AromaticContact CE3-NE1 3.56Å; W89-W99 HydrophobicContact CH2-CB 3.37Å; W89-W99 AromaticContact CH2-CD1 3.38Å; W89-W99 HydrophobicContact CH2-CD2 4.03Å; W89-W99 AromaticContact CH2-CG 3.3Å; W89-W99 HydrophobicContact CH2-CG 3.3Å; W89-W99 HydrophobicContact CZ2-CB 3.81Å; W89-W99 AromaticContact CZ2-CD1 3.25Å; W89-W99 AromaticContact CZ2-CG 3.65Å; W89-W99 HydrophobicContact CZ2-CG 3.65Å; W89-W99 HydrophobicContact CZ3-CB 4.01Å; W89-W99 AromaticContact CZ3-CD1 3.63Å; W89-W99 AromaticContact CZ3-CD2 3.74Å; W89-W99 HydrophobicContact CZ3-CD2 3.74Å; W89-W99 AromaticContact CZ3-CE2 3.96Å; W89-W99 HydrophobicContact CZ3-CE3 4.43Å; W89-W99 AromaticContact CZ3-CG 3.53Å; W89-W99 HydrophobicContact CZ3-CG 3.53Å; W89-W99 AromaticContact CZ3-NE1 3.86Å; W89-I104 HydrophobicContact CH2-CG2 4.37Å; W89-I104 HydrophobicContact CZ3-CG2 3.97Å; W89-M109 HydrophobicContact CE3-CE 3.7Å; W89-M109 HydrophobicContact CZ3-CE 4.34Å
90	N	91.2	Very high	88.9	Confident	10 Å²	10	53 Å²	53	5%	0.053	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-37.2	179.2	-69.4	-11.7	0	0	0	111.6	D51 T53 Q86 M87 F88 L93 R94	D51-N90 PolarHBondContact O-ND2 2.9Å; T53-N90 PolarHBondContact O-ND2 2.76Å; Q86-N90 PolarHBondContact NE2-OD1 3.43Å; Q86-N90 VanDerWaalsContact NE2-OD1 3.15Å; Q86-N90 WeakPolarHBondContact O-CB 3.48Å; Q86-N90 VanDerWaalsContact O-CG 3.28Å; Q86-N90 PolarHBondContact O-N 2.95Å; Q86-N90 PolarHBondContact O-ND2 3.47Å; M87-N90 PolarHBondContact O-N 3.39Å; F88-N90 PolarHBondContact O-N 3.38Å; N90-L93 PolarHBondContact O-N 2.9Å; N90-R94 WeakPolarHBondContact O-CG 3.45Å; N90-R94 PolarHBondContact O-N 2.98Å; N90-R94 VanDerWaalsContact O-N 3.08Å
91	A	88.3	Confident	87.7	Confident	14 Å²	14	59.5 Å²	59.5	12%	0.116	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-40.7	175	0	0	0	0	0	112.6	M87 F88 W89 R94 K95	M87-A91 VanDerWaalsContact O-CB 3.24Å; M87-A91 WeakPolarHBondContact O-CB 3.45Å; M87-A91 PolarHBondContact O-N 3.07Å; F88-A91 PolarHBondContact O-N 3.25Å; W89-A91 VanDerWaalsContact C-N 3.29Å; W89-A91 PolarHBondContact O-N 3.3Å; A91-R94 PolarHBondContact O-N 3.48Å; A91-K95 WeakPolarHBondContact O-CG 3.23Å; A91-K95 PolarHBondContact O-N 2.85Å; A91-K95 VanDerWaalsContact O-N 3.13Å
92	M	87.7	Confident	86.7	Confident	38 Å²	38	62.4 Å²	62.4	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-41.5	176.2	-70.5	-63.3	-70.4	0	0	111.6	F88 W89 R94 K95 G96 W97 W99	F88-M92 HydrophobicContact CD1-CG 3.98Å; F88-M92 HydrophobicContact CE1-CG 3.63Å; F88-M92 HydrophobicContact CE1-SD 4.34Å; F88-M92 HydrophobicContact CZ-CG 4.13Å; F88-M92 HydrophobicContact CZ-SD 4.3Å; F88-M92 WeakPolarHBondContact O-CG 3.44Å; F88-M92 PolarHBondContact O-N 2.85Å; W89-M92 PolarHBondContact O-N 3.15Å; W89-M92 VanDerWaalsContact O-N 3.15Å; M92-R94 VanDerWaalsContact C-N 3.32Å; M92-R94 PolarHBondContact O-N 3.5Å; M92-K95 CarbonylContact O-C 3.58Å; M92-K95 WeakPolarHBondContact O-CA 3.41Å; M92-K95 WeakPolarHBondContact O-CB 3.45Å; M92-K95 PolarHBondContact O-N 3.37Å; M92-K95 HydrophobicContact SD-CD 4.42Å; M92-G96 PolarHBondContact O-N 3.15Å; M92-W97 HydrophobicContact CB-CB 4.05Å; M92-W97 HydrophobicContact CB-CG 4.46Å; M92-W97 HydrophobicContact CE-CB 4.11Å; M92-W97 HydrophobicContact CE-CD2 3.92Å; M92-W97 HydrophobicContact CE-CE3 4.13Å; M92-W97 HydrophobicContact CE-CG 3.92Å; M92-W97 WeakPolarHBondContact O-CB 3.28Å; M92-W97 PolarHBondContact O-N 3.45Å; M92-W99 HydrophobicContact CB-CZ2 3.64Å; M92-W99 HydrophobicContact CE-CH2 4.48Å; M92-W99 HydrophobicContact CE-CZ2 4.48Å; M92-W99 HydrophobicContact CG-CH2 4.48Å; M92-W99 HydrophobicContact CG-CZ2 3.82Å
93	L	88.7	Confident	85.8	Confident	35 Å²	35	65.6 Å²	65.6	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-58.3	-43	174.7	-70.3	-177.7	0	0	0	112.4	A55 W89 N90 K95 G96 W97 R98	A55-L93 HydrophobicContact CB-CD1 3.55Å; W89-L93 PolarHBondContact O-N 3.47Å; N90-L93 PolarHBondContact O-N 2.9Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.31Å; L93-G96 PolarHBondContact O-N 3.3Å; L93-W97 WeakPolarHBondContact CD2-O 3.42Å; L93-R98 PolarHBondContact O-NH1 2.92Å
94	R	86.4	Confident	85.4	Confident	118 Å²	118	64.9 Å²	64.9	45%	0.445	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-32.1	175.2	-71.3	-169.7	-50.6	-93.3	4.3	113	N90 A91 M92 G96	N90-R94 WeakPolarHBondContact O-CG 3.45Å; N90-R94 PolarHBondContact O-N 2.98Å; N90-R94 VanDerWaalsContact O-N 3.08Å; A91-R94 PolarHBondContact O-N 3.48Å; M92-R94 VanDerWaalsContact C-N 3.32Å; M92-R94 PolarHBondContact O-N 3.5Å; R94-G96 PolarHBondContact O-N 2.93Å
95	K	83.6	Confident	85.2	Confident	172 Å²	172	68.1 Å²	68.1	75%	0.748	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	4.1	173.2	-70.8	179.8	178.2	-177.1	0	113.2	A91 M92 L93 W97	A91-K95 WeakPolarHBondContact O-CG 3.23Å; A91-K95 PolarHBondContact O-N 2.85Å; A91-K95 VanDerWaalsContact O-N 3.13Å; M92-K95 CarbonylContact O-C 3.58Å; M92-K95 WeakPolarHBondContact O-CA 3.41Å; M92-K95 WeakPolarHBondContact O-CB 3.45Å; M92-K95 PolarHBondContact O-N 3.37Å; M92-K95 HydrophobicContact SD-CD 4.42Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.31Å; K95-W97 VanDerWaalsContact C-N 3.34Å
96	G	85.4	Confident	84.9	Confident	49 Å²	49	71 Å²	71	51%	0.505	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	2.7	179.8	0	0	0	0	0	113.9	M92 L93 R94	M92-G96 PolarHBondContact O-N 3.15Å; L93-G96 PolarHBondContact O-N 3.3Å; R94-G96 PolarHBondContact O-N 2.93Å
97	W	86.1	Confident	84.7	Confident	128 Å²	128	77.3 Å²	77.3	49%	0.485	37%	0.374	S	S	.	.			trans	-65.9	142.4	174.6	-165.1	-94.2	0	0	0	110.2	M92 L93 K95 W99	M92-W97 HydrophobicContact CB-CB 4.05Å; M92-W97 HydrophobicContact CB-CG 4.46Å; M92-W97 HydrophobicContact CE-CB 4.11Å; M92-W97 HydrophobicContact CE-CD2 3.92Å; M92-W97 HydrophobicContact CE-CE3 4.13Å; M92-W97 HydrophobicContact CE-CG 3.92Å; M92-W97 WeakPolarHBondContact O-CB 3.28Å; M92-W97 PolarHBondContact O-N 3.45Å; L93-W97 WeakPolarHBondContact CD2-O 3.42Å; K95-W97 VanDerWaalsContact C-N 3.34Å; W97-W99 AromaticContact CD1-CD2 3.3Å; W97-W99 AromaticContact CD1-CE2 3.33Å; W97-W99 AromaticContact CD1-CE3 3.6Å; W97-W99 AromaticContact CD1-CG 3.78Å; W97-W99 AromaticContact CD1-CH2 3.94Å; W97-W99 AromaticContact CD1-CZ2 3.69Å; W97-W99 AromaticContact CD1-CZ3 3.88Å; W97-W99 AromaticContact CD1-NE1 3.77Å; W97-W99 HydrophobicContact CZ2-CZ3 4.48Å; W97-W99 AromaticContact NE1-CD2 3.3Å; W97-W99 VanDerWaalsContact NE1-CD2 3.3Å; W97-W99 AromaticContact NE1-CE2 3.7Å; W97-W99 AromaticContact NE1-CE3 3.04Å; W97-W99 AromaticContact NE1-CH2 3.64Å; W97-W99 AromaticContact NE1-CZ2 3.88Å; W97-W99 AromaticContact NE1-CZ3 3.2Å
98	R	85.3	Confident	84.5	Confident	161 Å²	161	79.6 Å²	79.6	61%	0.608	39%	0.386	S	S	*	.			trans	-130	104.8	176.8	-65	-65	178.7	-90.8	1.8	108	L93 K100	L93-R98 PolarHBondContact O-NH1 2.92Å; R98-K100 PolarHBondContact O-N 3.41Å
99	W	80.9	Confident	84.5	Confident	43 Å²	43	77.9 Å²	77.9	16%	0.163	38%	0.379	C	S	.	.			trans	-69.7	124.7	178.3	-54.9	104.1	0	0	0	109.3	W89 M92 W97 I104 M109	W89-W99 AromaticContact CD2-CD1 3.63Å; W89-W99 HydrophobicContact CD2-CG 4.37Å; W89-W99 AromaticContact CD2-NE1 3.49Å; W89-W99 AromaticContact CE2-CD1 3.37Å; W89-W99 AromaticContact CE2-NE1 3.73Å; W89-W99 AromaticContact CE3-CD1 3.74Å; W89-W99 HydrophobicContact CE3-CD2 4.11Å; W89-W99 AromaticContact CE3-CE2 3.81Å; W89-W99 HydrophobicContact CE3-CG 4.07Å; W89-W99 HydrophobicContact CE3-CZ2 4.43Å; W89-W99 AromaticContact CE3-NE1 3.56Å; W89-W99 HydrophobicContact CH2-CB 3.37Å; W89-W99 AromaticContact CH2-CD1 3.38Å; W89-W99 HydrophobicContact CH2-CD2 4.03Å; W89-W99 AromaticContact CH2-CG 3.3Å; W89-W99 HydrophobicContact CH2-CG 3.3Å; W89-W99 HydrophobicContact CZ2-CB 3.81Å; W89-W99 AromaticContact CZ2-CD1 3.25Å; W89-W99 AromaticContact CZ2-CG 3.65Å; W89-W99 HydrophobicContact CZ2-CG 3.65Å; W89-W99 HydrophobicContact CZ3-CB 4.01Å; W89-W99 AromaticContact CZ3-CD1 3.63Å; W89-W99 AromaticContact CZ3-CD2 3.74Å; W89-W99 HydrophobicContact CZ3-CD2 3.74Å; W89-W99 AromaticContact CZ3-CE2 3.96Å; W89-W99 HydrophobicContact CZ3-CE3 4.43Å; W89-W99 AromaticContact CZ3-CG 3.53Å; W89-W99 HydrophobicContact CZ3-CG 3.53Å; W89-W99 AromaticContact CZ3-NE1 3.86Å; M92-W99 HydrophobicContact CB-CZ2 3.64Å; M92-W99 HydrophobicContact CE-CH2 4.48Å; M92-W99 HydrophobicContact CE-CZ2 4.48Å; M92-W99 HydrophobicContact CG-CH2 4.48Å; M92-W99 HydrophobicContact CG-CZ2 3.82Å; W97-W99 AromaticContact CD1-CD2 3.3Å; W97-W99 AromaticContact CD1-CE2 3.33Å; W97-W99 AromaticContact CD1-CE3 3.6Å; W97-W99 AromaticContact CD1-CG 3.78Å; W97-W99 AromaticContact CD1-CH2 3.94Å; W97-W99 AromaticContact CD1-CZ2 3.69Å; W97-W99 AromaticContact CD1-CZ3 3.88Å; W97-W99 AromaticContact CD1-NE1 3.77Å; W97-W99 HydrophobicContact CZ2-CZ3 4.48Å; W97-W99 AromaticContact NE1-CD2 3.3Å; W97-W99 VanDerWaalsContact NE1-CD2 3.3Å; W97-W99 AromaticContact NE1-CE2 3.7Å; W97-W99 AromaticContact NE1-CE3 3.04Å; W97-W99 AromaticContact NE1-CH2 3.64Å; W97-W99 AromaticContact NE1-CZ2 3.88Å; W97-W99 AromaticContact NE1-CZ3 3.2Å; W99-I104 HydrophobicContact CB-CG2 4.37Å; W99-I104 HydrophobicContact CD2-CG2 4.25Å; W99-I104 HydrophobicContact CE3-CB 4.13Å; W99-I104 HydrophobicContact CE3-CD1 3.82Å; W99-I104 HydrophobicContact CE3-CG2 3.64Å; W99-I104 HydrophobicContact CH2-CD1 3.89Å; W99-I104 HydrophobicContact CZ3-CB 4.38Å; W99-I104 HydrophobicContact CZ3-CD1 3.36Å; W99-I104 HydrophobicContact CZ3-CG1 4.44Å; W99-I104 HydrophobicContact CZ3-CG2 4.32Å; W99-M109 HydrophobicContact CH2-CE 3.89Å; W99-M109 HydrophobicContact CZ2-CE 3.76Å
100	K	75.1	Confident	84.4	Confident	139 Å²	139	82.1 Å²	82.1	60%	0.604	40%	0.397	S	S	*	.			trans	-90.7	151.2	164.4	-48.9	172	-177.8	172.2	0	108.8	R98 S102 D103	R98-K100 PolarHBondContact O-N 3.41Å; K100-S102 PolarHBondContact O-N 3.25Å; K100-D103 HydrophobicContact CB-CB 4.43Å; K100-D103 WeakPolarHBondContact CB-OD2 3.42Å; K100-D103 WeakPolarHBondContact CD-OD2 3.41Å; K100-D103 VanDerWaalsContact CG-OD2 3.23Å; K100-D103 WeakPolarHBondContact CG-OD2 3.35Å; K100-D103 PolarHBondContact N-OD2 2.94Å; K100-D103 WeakPolarHBondContact O-CB 3.45Å; K100-D103 PolarHBondContact O-N 3.08Å
101	Q	69.8	Low	84.4	Confident	162 Å²	162	85.7 Å²	85.7	76%	0.757	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-178	-162.5	171	24	0	0	113	P59 D103	P59-Q101 HydrophobicContact CB-CG 4.13Å; Q101-D103 VanDerWaalsContact C-N 3.33Å
102	S	73.3	Confident	84.4	Confident	106 Å²	106	87.9 Å²	87.9	74%	0.741	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.9	174	52.2	0	0	0	0	114.3	K100	K100-S102 PolarHBondContact O-N 3.25Å
103	D	73.6	Confident	84.5	Confident	85 Å²	85	86.6 Å²	86.6	46%	0.455	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-25.2	-164.8	-60.8	-9.2	0	0	0	112.3	K100 Q101	K100-D103 HydrophobicContact CB-CB 4.43Å; K100-D103 WeakPolarHBondContact CB-OD2 3.42Å; K100-D103 WeakPolarHBondContact CD-OD2 3.41Å; K100-D103 VanDerWaalsContact CG-OD2 3.23Å; K100-D103 WeakPolarHBondContact CG-OD2 3.35Å; K100-D103 PolarHBondContact N-OD2 2.94Å; K100-D103 WeakPolarHBondContact O-CB 3.45Å; K100-D103 PolarHBondContact O-N 3.08Å; Q101-D103 VanDerWaalsContact C-N 3.33Å
104	I	83.2	Confident	84.6	Confident	9 Å²	9	91 Å²	91	5%	0.046	43%	0.431	C	S	.	.			trans	-152.9	135	-171.3	-163.6	167.9	0	0	0	112.3	F60 W89 W99 D108 M109 I112	F60-I104 WeakPolarHBondContact CE1-O 3.47Å; F60-I104 HydrophobicContact CZ-CG2 4.27Å; W89-I104 HydrophobicContact CH2-CG2 4.37Å; W89-I104 HydrophobicContact CZ3-CG2 3.97Å; W99-I104 HydrophobicContact CB-CG2 4.37Å; W99-I104 HydrophobicContact CD2-CG2 4.25Å; W99-I104 HydrophobicContact CE3-CB 4.13Å; W99-I104 HydrophobicContact CE3-CD1 3.82Å; W99-I104 HydrophobicContact CE3-CG2 3.64Å; W99-I104 HydrophobicContact CH2-CD1 3.89Å; W99-I104 HydrophobicContact CZ3-CB 4.38Å; W99-I104 HydrophobicContact CZ3-CD1 3.36Å; W99-I104 HydrophobicContact CZ3-CG1 4.44Å; W99-I104 HydrophobicContact CZ3-CG2 4.32Å; I104-D108 HydrophobicContact CD1-CB 4.41Å; I104-D108 HydrophobicContact CG1-CB 3.66Å; I104-M109 HydrophobicContact CD1-CB 4.42Å; I104-M109 HydrophobicContact CD1-CE 3.73Å; I104-I112 HydrophobicContact CD1-CD1 3.66Å
105	T	88.2	Confident	84.7	Confident	71 Å²	71	88 Å²	88	44%	0.436	42%	0.423	S	S	.	.			trans	-97.9	166.3	169.7	71.3	0	0	0	0	111.5	F60 Q107 D108 M109	F60-T105 VanDerWaalsContact CZ-C 3.46Å; T105-Q107 PolarHBondContact O-N 3.15Å; T105-Q107 PolarHBondContact OG1-N 3.37Å; T105-D108 VanDerWaalsContact CB-OD2 3.31Å; T105-D108 WeakPolarHBondContact CB-OD2 3.44Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.37Å; T105-D108 PolarHBondContact N-OD2 3.07Å; T105-D108 PolarHBondContact O-N 3.23Å; T105-D108 PolarHBondContact OG1-N 3.39Å; T105-D108 VanDerWaalsContact OG1-N 3.15Å; T105-D108 PolarHBondContact OG1-OD2 3.13Å; T105-M109 PolarHBondContact O-N 3.43Å; T105-M109 VanDerWaalsContact O-N 3.17Å
106	Q	87.9	Confident	85	Confident	91 Å²	91	82.3 Å²	82.3	43%	0.425	40%	0.399	S	S	.	.	H	α-helix	trans	-57.7	-36	172	-170.8	-170.7	56.1	0	0	112	F60 P61 M109 K110	F60-Q106 HydrophobicContact CD2-CB 3.74Å; F60-Q106 HydrophobicContact CD2-CG 4.06Å; F60-Q106 HydrophobicContact CE2-CB 4Å; F60-Q106 HydrophobicContact CE2-CG 4.48Å; F60-Q106 HydrophobicContact CG-CB 4.08Å; P61-Q106 PolarHBondContact O-NE2 2.99Å; Q106-M109 PolarHBondContact O-N 3.42Å; Q106-K110 PolarHBondContact O-N 3.41Å
107	Q	88.8	Confident	85.3	Confident	135 Å²	135	80.4 Å²	80.4	63%	0.631	38%	0.377	S	S	*	.	H	α-helix	trans	-68.5	-38.9	177.9	-67.6	-171.2	-2.6	0	0	111.8	T105 M109 K110 H111	T105-Q107 PolarHBondContact O-N 3.15Å; T105-Q107 PolarHBondContact OG1-N 3.37Å; Q107-M109 VanDerWaalsContact C-N 3.31Å; Q107-M109 PolarHBondContact O-N 2.86Å; Q107-K110 WeakPolarHBondContact O-CB 3.17Å; Q107-K110 PolarHBondContact O-N 2.67Å; Q107-H111 PolarHBondContact O-N 3.42Å; Q107-H111 PolarHBondContact O-ND1 2.99Å
108	D	88.9	Confident	85.6	Confident	65 Å²	65	76.9 Å²	76.9	35%	0.348	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176	-60.4	-40.3	0	0	0	111.2	I104 T105 K110 H111 I112	I104-D108 HydrophobicContact CD1-CB 4.41Å; I104-D108 HydrophobicContact CG1-CB 3.66Å; T105-D108 VanDerWaalsContact CB-OD2 3.31Å; T105-D108 WeakPolarHBondContact CB-OD2 3.44Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.37Å; T105-D108 PolarHBondContact N-OD2 3.07Å; T105-D108 PolarHBondContact O-N 3.23Å; T105-D108 PolarHBondContact OG1-N 3.39Å; T105-D108 VanDerWaalsContact OG1-N 3.15Å; T105-D108 PolarHBondContact OG1-OD2 3.13Å; D108-K110 VanDerWaalsContact C-N 3.33Å; D108-K110 PolarHBondContact O-N 3.1Å; D108-H111 PolarHBondContact O-N 3.46Å; D108-H111 VanDerWaalsContact O-N 3.12Å; D108-I112 VanDerWaalsContact O-CG1 3.3Å; D108-I112 WeakPolarHBondContact O-CG1 3.49Å; D108-I112 PolarHBondContact O-N 3.02Å
109	M	90.2	Very high	85.9	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-42	175.3	-175.2	51.6	72.3	0	0	112	L62 Q85 F88 W89 W99 I104 T105 Q106 Q107 H111 I112 I113	L62-M109 HydrophobicContact CD2-CB 4.05Å; L62-M109 HydrophobicContact CD2-CG 3.74Å; Q85-M109 HydrophobicContact CB-CG 4.01Å; Q85-M109 HydrophobicContact CG-CG 4.13Å; F88-M109 HydrophobicContact CD1-CE 3.97Å; F88-M109 HydrophobicContact CD1-SD 3.61Å; F88-M109 HydrophobicContact CE1-CE 4.35Å; F88-M109 HydrophobicContact CE1-SD 4.18Å; F88-M109 HydrophobicContact CG-SD 4.43Å; W89-M109 HydrophobicContact CE3-CE 3.7Å; W89-M109 HydrophobicContact CZ3-CE 4.34Å; W99-M109 HydrophobicContact CH2-CE 3.89Å; W99-M109 HydrophobicContact CZ2-CE 3.76Å; I104-M109 HydrophobicContact CD1-CB 4.42Å; I104-M109 HydrophobicContact CD1-CE 3.73Å; T105-M109 PolarHBondContact O-N 3.43Å; T105-M109 VanDerWaalsContact O-N 3.17Å; Q106-M109 PolarHBondContact O-N 3.42Å; Q107-M109 VanDerWaalsContact C-N 3.31Å; Q107-M109 PolarHBondContact O-N 2.86Å; M109-H111 VanDerWaalsContact C-N 3.31Å; M109-H111 PolarHBondContact O-N 3.3Å; M109-I112 PolarHBondContact O-N 2.88Å; M109-I113 HydrophobicContact CG-CD1 4.42Å; M109-I113 PolarHBondContact O-N 3.4Å; M109-I113 VanDerWaalsContact O-N 3.17Å; M109-I113 HydrophobicContact SD-CD1 4.12Å; M109-I113 HydrophobicContact SD-CG1 4.33Å
110	K	90.8	Very high	86.6	Confident	93 Å²	93	68.5 Å²	68.5	40%	0.404	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-39.8	174.3	-176.4	176.2	-179	175.5	0	111.7	Q106 Q107 D108 R114	Q106-K110 PolarHBondContact O-N 3.41Å; Q107-K110 WeakPolarHBondContact O-CB 3.17Å; Q107-K110 PolarHBondContact O-N 2.67Å; D108-K110 VanDerWaalsContact C-N 3.33Å; D108-K110 PolarHBondContact O-N 3.1Å; K110-R114 VanDerWaalsContact CE-NH2 3.25Å; K110-R114 VanDerWaalsContact O-CG 3.29Å; K110-R114 WeakPolarHBondContact O-CG 3.48Å; K110-R114 PolarHBondContact O-N 2.92Å
111	H	89.5	Confident	87.5	Confident	86 Å²	86	63.8 Å²	63.8	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-68.1	-46.6	177	-65.5	154.4	0	0	0	112.2	Q107 D108 M109 I113 R114 I115	Q107-H111 PolarHBondContact O-N 3.42Å; Q107-H111 PolarHBondContact O-ND1 2.99Å; D108-H111 PolarHBondContact O-N 3.46Å; D108-H111 VanDerWaalsContact O-N 3.12Å; M109-H111 VanDerWaalsContact C-N 3.31Å; M109-H111 PolarHBondContact O-N 3.3Å; H111-I113 PolarHBondContact O-N 3.23Å; H111-R114 PolarHBondContact O-N 2.64Å; H111-R114 VanDerWaalsContact O-N 3.17Å; H111-I115 WeakPolarHBondContact O-CD1 3.44Å; H111-I115 WeakPolarHBondContact O-CG1 3.47Å; H111-I115 PolarHBondContact O-N 2.89Å
112	I	89	Confident	88.7	Confident	59 Å²	59	56.7 Å²	56.7	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-53.7	-44.4	178.2	-72.8	160.8	0	0	0	111	F88 I104 D108 M109 I115 H116	F88-I112 HydrophobicContact CE1-CG2 3.82Å; F88-I112 HydrophobicContact CE2-CG2 4.49Å; F88-I112 HydrophobicContact CZ-CG2 3.74Å; I104-I112 HydrophobicContact CD1-CD1 3.66Å; D108-I112 VanDerWaalsContact O-CG1 3.3Å; D108-I112 WeakPolarHBondContact O-CG1 3.49Å; D108-I112 PolarHBondContact O-N 3.02Å; M109-I112 PolarHBondContact O-N 2.88Å; I112-I115 PolarHBondContact O-N 3.13Å; I112-H116 WeakPolarHBondContact O-CB 3.39Å; I112-H116 PolarHBondContact O-N 3.44Å
113	I	89.8	Confident	89.8	Confident	12 Å²	12	51.7 Å²	51.7	6%	0.062	25%	0.254	C	S	.	.	H	α-helix	trans	-71.7	-41.3	-178.9	-67.9	175.8	0	0	0	112	Q85 F88 M109 H111 I115 H116 N117	Q85-I113 HydrophobicContact CB-CD1 3.73Å; Q85-I113 HydrophobicContact CG-CD1 3.32Å; F88-I113 HydrophobicContact CB-CD1 3.91Å; F88-I113 HydrophobicContact CB-CG1 4.31Å; F88-I113 HydrophobicContact CD2-CG1 4.46Å; F88-I113 HydrophobicContact CG-CD1 4.33Å; F88-I113 HydrophobicContact CG-CG1 4.23Å; M109-I113 HydrophobicContact CG-CD1 4.42Å; M109-I113 PolarHBondContact O-N 3.4Å; M109-I113 VanDerWaalsContact O-N 3.17Å; M109-I113 HydrophobicContact SD-CD1 4.12Å; M109-I113 HydrophobicContact SD-CG1 4.33Å; H111-I113 PolarHBondContact O-N 3.23Å; I113-I115 PolarHBondContact O-N 3.27Å; I113-H116 PolarHBondContact O-N 3.02Å; I113-N117 WeakPolarHBondContact O-CB 3.1Å; I113-N117 PolarHBondContact O-N 2.96Å; I113-N117 PolarHBondContact O-OD1 3.39Å
114	R	90.8	Very high	90.9	Very high	127 Å²	127	48.1 Å²	48.1	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-56.7	-42.7	174.1	-77	172.7	168.8	-166.8	-8.7	111.8	K110 H111 S118	K110-R114 VanDerWaalsContact CE-NH2 3.25Å; K110-R114 VanDerWaalsContact O-CG 3.29Å; K110-R114 WeakPolarHBondContact O-CG 3.48Å; K110-R114 PolarHBondContact O-N 2.92Å; H111-R114 PolarHBondContact O-N 2.64Å; H111-R114 VanDerWaalsContact O-N 3.17Å; R114-S118 VanDerWaalsContact O-CB 3.28Å; R114-S118 WeakPolarHBondContact O-CB 3.09Å; R114-S118 PolarHBondContact O-N 3.18Å
115	I	88.8	Confident	91.6	Very high	56 Å²	56	53.6 Å²	53.6	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-48.2	176.9	-67.8	162.1	0	0	0	110.2	H111 I112 I113 N117 S118 N119 F202	H111-I115 WeakPolarHBondContact O-CD1 3.44Å; H111-I115 WeakPolarHBondContact O-CG1 3.47Å; H111-I115 PolarHBondContact O-N 2.89Å; I112-I115 PolarHBondContact O-N 3.13Å; I113-I115 PolarHBondContact O-N 3.27Å; I115-N117 PolarHBondContact O-N 3.02Å; I115-S118 PolarHBondContact O-N 2.87Å; I115-N119 WeakPolarHBondContact O-CB 3.49Å; I115-N119 PolarHBondContact O-N 2.61Å; I115-F202 HydrophobicContact CB-CE1 4.28Å; I115-F202 HydrophobicContact CB-CZ 4.34Å; I115-F202 HydrophobicContact CD1-CE1 3.52Å; I115-F202 HydrophobicContact CD1-CZ 3.71Å; I115-F202 HydrophobicContact CG1-CE1 3.69Å; I115-F202 HydrophobicContact CG1-CZ 4.11Å; I115-F202 HydrophobicContact CG2-CE1 3.61Å; I115-F202 HydrophobicContact CG2-CE2 4.46Å; I115-F202 HydrophobicContact CG2-CZ 3.37Å
116	H	89.4	Confident	91.9	Very high	52 Å²	52	52.5 Å²	52.5	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-47.5	178.4	-179.4	80.8	0	0	0	112	I112 I113 N119 N120	I112-H116 WeakPolarHBondContact O-CB 3.39Å; I112-H116 PolarHBondContact O-N 3.44Å; I113-H116 PolarHBondContact O-N 3.02Å; H116-N119 PolarHBondContact O-N 2.82Å; H116-N120 PolarHBondContact CD2-ND2 3.33Å; H116-N120 VanDerWaalsContact CD2-ND2 3.31Å; H116-N120 PolarHBondContact NE2-ND2 2.98Å; H116-N120 PolarHBondContact O-N 3.33Å; H116-N120 PolarHBondContact O-ND2 3.07Å
117	N	92.1	Very high	92.4	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.048	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-48.3	178	-64.7	-0.2	0	0	0	110.1	E67 Y82 I113 I115 N119 N120 E121	E67-N117 PolarHBondContact OE2-ND2 3.24Å; Y82-N117 WeakPolarHBondContact CB-OD1 3.31Å; Y82-N117 HydrophobicContact CD2-CB 3.74Å; Y82-N117 HydrophobicContact CE2-CB 3.82Å; Y82-N117 HydrophobicContact CG-CB 4.26Å; I113-N117 WeakPolarHBondContact O-CB 3.1Å; I113-N117 PolarHBondContact O-N 2.96Å; I113-N117 PolarHBondContact O-OD1 3.39Å; I115-N117 PolarHBondContact O-N 3.02Å; N117-N119 VanDerWaalsContact C-N 3.34Å; N117-N119 PolarHBondContact O-N 2.87Å; N117-N120 PolarHBondContact O-N 2.94Å; N117-E121 WeakPolarHBondContact O-CG 3.42Å; N117-E121 PolarHBondContact O-N 3.22Å
118	S	92.6	Very high	92.8	Very high	53 Å²	53	45 Å²	45	37%	0.371	21%	0.211	S	C	.	.	H	α-helix	trans	-57.3	-43.7	176.3	-178.3	0	0	0	0	112.7	R114 I115 E121 Q122	R114-S118 VanDerWaalsContact O-CB 3.28Å; R114-S118 WeakPolarHBondContact O-CB 3.09Å; R114-S118 PolarHBondContact O-N 3.18Å; I115-S118 PolarHBondContact O-N 2.87Å; S118-E121 PolarHBondContact O-N 3.05Å; S118-Q122 VanDerWaalsContact O-CG 3.26Å; S118-Q122 WeakPolarHBondContact O-CG 3.33Å; S118-Q122 PolarHBondContact O-N 2.97Å; S118-Q122 PolarHBondContact O-NE2 3.28Å; S118-Q122 PolarHBondContact OG-NE2 3.43Å; S118-Q122 VanDerWaalsContact OG-NE2 3.15Å
119	N	91.8	Very high	93.2	Very high	16 Å²	16	49.1 Å²	49.1	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-43.9	178.1	-74.4	-14	0	0	0	111.8	I115 H116 N117 Q122 A123 Y189 T203	I115-N119 WeakPolarHBondContact O-CB 3.49Å; I115-N119 PolarHBondContact O-N 2.61Å; H116-N119 PolarHBondContact O-N 2.82Å; N117-N119 VanDerWaalsContact C-N 3.34Å; N117-N119 PolarHBondContact O-N 2.87Å; N119-Q122 PolarHBondContact O-N 2.6Å; N119-A123 WeakPolarHBondContact O-CB 3.26Å; N119-A123 PolarHBondContact O-N 3.34Å; N119-Y189 HydrophobicContact CB-CD1 4.44Å; N119-Y189 HydrophobicContact CB-CE1 3.91Å; N119-T203 PolarHBondContact OD1-OG1 3.2Å
120	N	94.5	Very high	93.5	Very high	13 Å²	13	50 Å²	50	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-40.5	177.4	-71.3	-31.4	0	0	0	111.7	Y82 H116 N117 Q122 A123 W124 W174	Y82-N120 HydrophobicContact CE1-CB 3.68Å; Y82-N120 VanDerWaalsContact CE1-ND2 3.29Å; Y82-N120 WeakPolarHBondContact CE1-ND2 3.24Å; Y82-N120 VanDerWaalsContact OH-CB 3.23Å; Y82-N120 WeakPolarHBondContact OH-CB 3.49Å; H116-N120 PolarHBondContact CD2-ND2 3.33Å; H116-N120 VanDerWaalsContact CD2-ND2 3.31Å; H116-N120 PolarHBondContact NE2-ND2 2.98Å; H116-N120 PolarHBondContact O-N 3.33Å; H116-N120 PolarHBondContact O-ND2 3.07Å; N117-N120 PolarHBondContact O-N 2.94Å; N120-Q122 VanDerWaalsContact C-N 3.35Å; N120-A123 PolarHBondContact O-N 2.89Å; N120-W124 PolarHBondContact O-N 3.37Å; N120-W174 HydrophobicContact CB-CH2 4.37Å; N120-W174 HydrophobicContact CB-CZ2 4.48Å
121	E	95.7	Very high	93.8	Very high	40 Å²	40	45.8 Å²	45.8	19%	0.187	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-38	176.5	-69.9	-61.6	161.7	0	0	112.3	S69 S70 Y82 N117 S118 R125	S69-E121 VanDerWaalsContact CA-OE1 3.27Å; S69-E121 WeakPolarHBondContact CA-OE1 3.32Å; S69-E121 VanDerWaalsContact CB-OE1 3.23Å; S69-E121 WeakPolarHBondContact CB-OE1 3.24Å; S70-E121 VanDerWaalsContact CB-OE2 3.22Å; S70-E121 WeakPolarHBondContact CB-OE2 3.27Å; S70-E121 PolarHBondContact N-OE1 3.31Å; S70-E121 PolarHBondContact OG-OE2 3.36Å; Y82-E121 HydrophobicContact CE2-CG 4.38Å; Y82-E121 PolarHBondContact OH-OE1 3.31Å; Y82-E121 VanDerWaalsContact OH-OE1 3.06Å; N117-E121 WeakPolarHBondContact O-CG 3.42Å; N117-E121 PolarHBondContact O-N 3.22Å; S118-E121 PolarHBondContact O-N 3.05Å; E121-R125 PolarHBondContact O-N 3.29Å; E121-R125 VanDerWaalsContact O-N 3.07Å
122	Q	93.8	Very high	94.1	Very high	13 Å²	13	44.7 Å²	44.7	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-45.7	173.5	-71.5	173.1	67.6	0	0	111.6	S118 N119 N120 W124 R125 E126 Q201 L205	S118-Q122 VanDerWaalsContact O-CG 3.26Å; S118-Q122 WeakPolarHBondContact O-CG 3.33Å; S118-Q122 PolarHBondContact O-N 2.97Å; S118-Q122 PolarHBondContact O-NE2 3.28Å; S118-Q122 PolarHBondContact OG-NE2 3.43Å; S118-Q122 VanDerWaalsContact OG-NE2 3.15Å; N119-Q122 PolarHBondContact O-N 2.6Å; N120-Q122 VanDerWaalsContact C-N 3.35Å; Q122-W124 VanDerWaalsContact C-N 3.26Å; Q122-W124 PolarHBondContact O-N 2.81Å; Q122-R125 WeakPolarHBondContact O-CB 3.33Å; Q122-R125 PolarHBondContact O-N 2.96Å; Q122-E126 PolarHBondContact O-N 3.05Å; Q122-Q201 VanDerWaalsContact CD-CD 3.41Å; Q122-L205 HydrophobicContact CB-CD2 3.83Å
123	A	96	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-42.6	177.3	0	0	0	0	0	111.4	N119 N120 R125 E126 I127 W174 I187 L205 V207	N119-A123 WeakPolarHBondContact O-CB 3.26Å; N119-A123 PolarHBondContact O-N 3.34Å; N120-A123 PolarHBondContact O-N 2.89Å; A123-R125 PolarHBondContact O-N 2.89Å; A123-E126 PolarHBondContact O-N 2.92Å; A123-I127 WeakPolarHBondContact O-CG1 3.29Å; A123-I127 PolarHBondContact O-N 2.75Å; A123-W174 HydrophobicContact CB-CH2 4.33Å; A123-I187 HydrophobicContact CB-CD1 4.14Å; A123-I187 HydrophobicContact CB-CG2 4.13Å; A123-L205 HydrophobicContact CB-CD2 3.87Å; A123-V207 HydrophobicContact CB-CG2 4.24Å
124	W	97.6	Very high	94.7	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.038	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-42.6	174.3	-175.9	-121.1	0	0	0	112.6	I71 P72 N120 Q122 E126 I127 L128 P141 L143 W174 V176	I71-W124 HydrophobicContact CB-CD2 4.45Å; I71-W124 HydrophobicContact CB-CG 4.36Å; I71-W124 HydrophobicContact CD1-CB 3.84Å; I71-W124 HydrophobicContact CD1-CG 4.16Å; I71-W124 HydrophobicContact CG1-CB 3.85Å; I71-W124 HydrophobicContact CG1-CD2 4.25Å; I71-W124 HydrophobicContact CG1-CG 3.7Å; I71-W124 HydrophobicContact CG2-CD2 3.76Å; I71-W124 HydrophobicContact CG2-CE3 3.96Å; I71-W124 HydrophobicContact CG2-CG 4.14Å; I71-W124 HydrophobicContact CG2-CH2 4.48Å; I71-W124 HydrophobicContact CG2-CZ2 4.3Å; I71-W124 HydrophobicContact CG2-CZ3 4.31Å; P72-W124 HydrophobicContact CG-CZ2 4.04Å; N120-W124 PolarHBondContact O-N 3.37Å; Q122-W124 VanDerWaalsContact C-N 3.26Å; Q122-W124 PolarHBondContact O-N 2.81Å; W124-E126 VanDerWaalsContact C-N 3.31Å; W124-E126 PolarHBondContact O-N 2.79Å; W124-I127 HydrophobicContact CE3-CB 4.16Å; W124-I127 HydrophobicContact CE3-CD1 4.11Å; W124-I127 HydrophobicContact CE3-CG2 4.02Å; W124-I127 HydrophobicContact CZ3-CB 4.49Å; W124-I127 HydrophobicContact CZ3-CD1 4.49Å; W124-I127 HydrophobicContact CZ3-CG2 3.85Å; W124-I127 WeakPolarHBondContact O-CB 3.23Å; W124-I127 PolarHBondContact O-N 3.43Å; W124-I127 VanDerWaalsContact O-N 3.15Å; W124-L128 HydrophobicContact CD2-CG 4.48Å; W124-L128 HydrophobicContact CZ2-CD2 3.86Å; W124-L128 HydrophobicContact CZ2-CG 4.42Å; W124-L128 WeakPolarHBondContact O-CG 3.35Å; W124-L128 PolarHBondContact O-N 2.93Å; W124-P141 WeakPolarHBondContact CZ2-O 3.42Å; W124-L143 HydrophobicContact CZ3-CB 4.17Å; W124-W174 HydrophobicContact CB-CZ3 4.2Å; W124-W174 HydrophobicContact CE3-CE3 4.3Å; W124-W174 AromaticContact CE3-CZ3 3.96Å; W124-W174 HydrophobicContact CE3-CZ3 3.96Å; W124-V176 HydrophobicContact CH2-CG1 4.43Å; W124-V176 HydrophobicContact CZ3-CG1 4.49Å; W124-V176 HydrophobicContact CZ3-CG2 4.12Å
125	R	96.9	Very high	94.8	Very high	124 Å²	124	41.5 Å²	41.5	47%	0.468	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-40.6	176.2	-133.9	-176.2	-55.4	146.3	5.3	112.5	E121 Q122 A123 L128 R129	E121-R125 PolarHBondContact O-N 3.29Å; E121-R125 VanDerWaalsContact O-N 3.07Å; Q122-R125 WeakPolarHBondContact O-CB 3.33Å; Q122-R125 PolarHBondContact O-N 2.96Å; A123-R125 PolarHBondContact O-N 2.89Å; R125-L128 PolarHBondContact O-N 3.44Å; R125-R129 WeakPolarHBondContact O-CG 3.2Å; R125-R129 PolarHBondContact O-N 3.25Å; R125-R129 VanDerWaalsContact O-N 3.14Å
126	E	96.4	Very high	95	Very high	48 Å²	48	45.6 Å²	45.6	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-40.7	174.5	-63.6	-53.7	147.2	0	0	111.6	Q122 A123 W124 L128 R129 W130 V207	Q122-E126 PolarHBondContact O-N 3.05Å; A123-E126 PolarHBondContact O-N 2.92Å; W124-E126 VanDerWaalsContact C-N 3.31Å; W124-E126 PolarHBondContact O-N 2.79Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 2.89Å; E126-R129 WeakPolarHBondContact O-CB 3.32Å; E126-R129 PolarHBondContact O-N 3.05Å; E126-R129 VanDerWaalsContact O-N 3.1Å; E126-R129 IonicContact OE1-CZ 3.1Å; E126-R129 IonicContact OE1-NH1 3.72Å; E126-R129 PolarHBondContact OE1-NH1 3.31Å; E126-R129 IonicContact OE1-NH2 3.44Å; E126-R129 WeakPolarHBondContact OE2-CD 3.47Å; E126-R129 IonicContact OE2-CZ 3.62Å; E126-R129 IonicContact OE2-NE 3.25Å; E126-R129 IonicContact OE2-NH1 3.98Å; E126-R129 PolarHBondContact OE2-NH1 2.73Å; E126-W130 VanDerWaalsContact O-CD1 3.24Å; E126-W130 PolarHBondContact O-N 3.22Å; E126-W130 VanDerWaalsContact O-N 3.14Å; E126-V207 HydrophobicContact CB-CB 3.67Å; E126-V207 HydrophobicContact CB-CG1 3.82Å; E126-V207 HydrophobicContact CB-CG2 3.8Å; E126-V207 HydrophobicContact CG-CB 4.35Å; E126-V207 HydrophobicContact CG-CG2 4.14Å
127	I	97.7	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-46.1	172.6	-72.3	171.8	0	0	0	110.3	A123 W124 R129 W130 E131 W174 V176 Y185 I187 V207	A123-I127 WeakPolarHBondContact O-CG1 3.29Å; A123-I127 PolarHBondContact O-N 2.75Å; W124-I127 HydrophobicContact CE3-CB 4.16Å; W124-I127 HydrophobicContact CE3-CD1 4.11Å; W124-I127 HydrophobicContact CE3-CG2 4.02Å; W124-I127 HydrophobicContact CZ3-CB 4.49Å; W124-I127 HydrophobicContact CZ3-CD1 4.49Å; W124-I127 HydrophobicContact CZ3-CG2 3.85Å; W124-I127 WeakPolarHBondContact O-CB 3.23Å; W124-I127 PolarHBondContact O-N 3.43Å; W124-I127 VanDerWaalsContact O-N 3.15Å; I127-R129 PolarHBondContact O-N 2.65Å; I127-W130 WeakPolarHBondContact O-CA 3.44Å; I127-W130 WeakPolarHBondContact O-CB 3.49Å; I127-W130 PolarHBondContact O-N 3.05Å; I127-E131 HydrophobicContact CG2-CG 4.08Å; I127-E131 WeakPolarHBondContact O-CG 3.34Å; I127-E131 PolarHBondContact O-N 3.31Å; I127-W174 HydrophobicContact CD1-CB 4.46Å; I127-W174 HydrophobicContact CD1-CD2 4.18Å; I127-W174 HydrophobicContact CD1-CE3 3.4Å; I127-W174 HydrophobicContact CD1-CZ3 3.97Å; I127-V176 HydrophobicContact CD1-CG2 4.32Å; I127-V176 HydrophobicContact CG2-CG2 3.79Å; I127-Y185 HydrophobicContact CD1-CG 4.33Å; I127-Y185 HydrophobicContact CG1-CD1 3.94Å; I127-Y185 HydrophobicContact CG1-CE1 4.29Å; I127-Y185 HydrophobicContact CG1-CG 4.1Å; I127-Y185 HydrophobicContact CG2-CD2 4.46Å; I127-Y185 HydrophobicContact CG2-CE2 4.16Å; I127-I187 HydrophobicContact CD1-CD1 4.25Å; I127-V207 HydrophobicContact CG1-CG1 3.67Å
128	L	97.5	Very high	95.1	Very high	69 Å²	69	48.1 Å²	48.1	36%	0.361	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-32.6	177.5	-67.8	177.9	0	0	0	112.6	W124 R125 E126 E131 A132 P141	W124-L128 HydrophobicContact CD2-CG 4.48Å; W124-L128 HydrophobicContact CZ2-CD2 3.86Å; W124-L128 HydrophobicContact CZ2-CG 4.42Å; W124-L128 WeakPolarHBondContact O-CG 3.35Å; W124-L128 PolarHBondContact O-N 2.93Å; R125-L128 PolarHBondContact O-N 3.44Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 2.89Å; L128-E131 PolarHBondContact O-N 3.03Å; L128-A132 PolarHBondContact O-N 3.03Å; L128-P141 HydrophobicContact CD2-CG 3.66Å
129	R	96	Very high	95.1	Very high	152 Å²	152	52 Å²	52	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-67	-36.5	173.1	-69	176.2	-178.1	159.8	3.2	112.6	R125 E126 I127 A132	R125-R129 WeakPolarHBondContact O-CG 3.2Å; R125-R129 PolarHBondContact O-N 3.25Å; R125-R129 VanDerWaalsContact O-N 3.14Å; E126-R129 WeakPolarHBondContact O-CB 3.32Å; E126-R129 PolarHBondContact O-N 3.05Å; E126-R129 VanDerWaalsContact O-N 3.1Å; E126-R129 IonicContact OE1-CZ 3.1Å; E126-R129 IonicContact OE1-NH1 3.72Å; E126-R129 PolarHBondContact OE1-NH1 3.31Å; E126-R129 IonicContact OE1-NH2 3.44Å; E126-R129 WeakPolarHBondContact OE2-CD 3.47Å; E126-R129 IonicContact OE2-CZ 3.62Å; E126-R129 IonicContact OE2-NE 3.25Å; E126-R129 IonicContact OE2-NH1 3.98Å; E126-R129 PolarHBondContact OE2-NH1 2.73Å; I127-R129 PolarHBondContact O-N 2.65Å; R129-A132 WeakPolarHBondContact O-CB 3.39Å
130	W	97.3	Very high	95.2	Very high	17 Å²	17	54 Å²	54	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-69.7	-45.1	172.9	-76.6	99.6	0	0	0	111.6	E126 I127 A132 L133 Y185 V207 R208 P209 D219 R220 V223	E126-W130 VanDerWaalsContact O-CD1 3.24Å; E126-W130 PolarHBondContact O-N 3.22Å; E126-W130 VanDerWaalsContact O-N 3.14Å; I127-W130 WeakPolarHBondContact O-CA 3.44Å; I127-W130 WeakPolarHBondContact O-CB 3.49Å; I127-W130 PolarHBondContact O-N 3.05Å; W130-A132 PolarHBondContact O-N 3.32Å; W130-L133 WeakPolarHBondContact O-CB 3.09Å; W130-L133 WeakPolarHBondContact O-CG 3.44Å; W130-L133 PolarHBondContact O-N 3.04Å; W130-L133 VanDerWaalsContact O-N 3.17Å; W130-Y185 HydrophobicContact CB-CE1 3.74Å; W130-Y185 VanDerWaalsContact CB-OH 3.22Å; W130-Y185 WeakPolarHBondContact CB-OH 3.3Å; W130-Y185 AromaticContact CG-CE1 3.93Å; W130-Y185 HydrophobicContact CG-CE1 3.93Å; W130-V207 PolarHBondContact NE1-O 2.93Å; W130-R208 HydrophobicContact CZ2-CB 4.09Å; W130-P209 VanDerWaalsContact CD2-CD 3.46Å; W130-P209 HydrophobicContact CD2-CG 3.99Å; W130-P209 VanDerWaalsContact CE3-CD 3.45Å; W130-P209 HydrophobicContact CE3-CG 3.62Å; W130-P209 HydrophobicContact CG-CG 4.48Å; W130-P209 HydrophobicContact CZ3-CG 3.98Å; W130-D219 HydrophobicContact CE3-CB 4.47Å; W130-D219 HydrophobicContact CZ3-CB 4.39Å; W130-R220 HydrophobicContact CH2-CB 4.46Å; W130-R220 HydrophobicContact CH2-CG 3.99Å; W130-R220 HydrophobicContact CZ3-CG 4.1Å; W130-V223 HydrophobicContact CD2-CG2 4.38Å; W130-V223 HydrophobicContact CE3-CB 4.35Å; W130-V223 HydrophobicContact CE3-CG2 3.6Å; W130-V223 HydrophobicContact CH2-CB 3.67Å; W130-V223 HydrophobicContact CH2-CG1 3.84Å; W130-V223 HydrophobicContact CH2-CG2 3.86Å; W130-V223 HydrophobicContact CZ2-CB 4.48Å; W130-V223 HydrophobicContact CZ2-CG1 4.18Å; W130-V223 HydrophobicContact CZ3-CB 3.61Å; W130-V223 HydrophobicContact CZ3-CG1 4.17Å; W130-V223 HydrophobicContact CZ3-CG2 3.3Å
131	E	97.2	Very high	95.3	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-20.7	178.7	-68.2	-61.8	116.9	0	0	112.7	I127 L128 L133 H134 A135 P141 R178 Y185	I127-E131 HydrophobicContact CG2-CG 4.08Å; I127-E131 WeakPolarHBondContact O-CG 3.34Å; I127-E131 PolarHBondContact O-N 3.31Å; L128-E131 PolarHBondContact O-N 3.03Å; E131-L133 PolarHBondContact O-N 3.11Å; E131-L133 VanDerWaalsContact O-N 3.14Å; E131-H134 CarbonylContact O-C 3.48Å; E131-H134 WeakPolarHBondContact O-CA 3.2Å; E131-H134 PolarHBondContact O-N 3.38Å; E131-A135 PolarHBondContact O-N 3.1Å; E131-P141 HydrophobicContact CB-CB 4.49Å; E131-P141 HydrophobicContact CB-CG 4.04Å; E131-P141 HydrophobicContact CG-CB 4.16Å; E131-P141 HydrophobicContact CG-CG 4.18Å; E131-R178 IonicContact OE1-CZ 2.75Å; E131-R178 IonicContact OE1-NE 2.89Å; E131-R178 IonicContact OE1-NH2 3.99Å; E131-R178 PolarHBondContact OE1-NH2 2.99Å; E131-R178 IonicContact OE2-CZ 3.81Å; E131-R178 IonicContact OE2-NE 3.76Å; E131-R178 PolarHBondContact OE2-NE 2.71Å; E131-R178 IonicContact OE2-NH2 3.43Å; E131-R178 PolarHBondContact OE2-NH2 2.7Å; E131-Y185 WeakPolarHBondContact OE1-CE2 3.45Å; E131-Y185 PolarHBondContact OE1-OH 3.23Å
132	A	95.5	Very high	95.4	Very high	63 Å²	63	54.6 Å²	54.6	52%	0.521	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-58.9	-23.6	172.6	0	0	0	0	0	113.7	L128 R129 W130 H134 A135	L128-A132 PolarHBondContact O-N 3.03Å; R129-A132 WeakPolarHBondContact O-CB 3.39Å; W130-A132 PolarHBondContact O-N 3.32Å; A132-H134 PolarHBondContact O-N 3.43Å; A132-A135 PolarHBondContact O-N 2.96Å
133	L	94.6	Very high	95.6	Very high	64 Å²	64	54.1 Å²	54.1	34%	0.335	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23.4	170.7	-68.4	178.1	0	0	0	113	W130 E131 D219 V222 V223 I226	W130-L133 WeakPolarHBondContact O-CB 3.09Å; W130-L133 WeakPolarHBondContact O-CG 3.44Å; W130-L133 PolarHBondContact O-N 3.04Å; W130-L133 VanDerWaalsContact O-N 3.17Å; E131-L133 PolarHBondContact O-N 3.11Å; E131-L133 VanDerWaalsContact O-N 3.14Å; L133-D219 HydrophobicContact CD1-CB 4.08Å; L133-V222 HydrophobicContact CD2-CG1 4.12Å; L133-V223 HydrophobicContact CD1-CG2 3.72Å; L133-I226 HydrophobicContact CD2-CD1 4.42Å
134	H	95.8	Very high	95.6	Very high	9 Å²	9	58.2 Å²	58.2	4%	0.042	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-116.9	19.6	-173.6	-56.4	-75.3	0	0	0	111.9	E131 A132 T136 E137 C138 R178 Q215 D219	E131-H134 CarbonylContact O-C 3.48Å; E131-H134 WeakPolarHBondContact O-CA 3.2Å; E131-H134 PolarHBondContact O-N 3.38Å; A132-H134 PolarHBondContact O-N 3.43Å; H134-T136 PolarHBondContact O-N 2.91Å; H134-E137 HydrophobicContact CB-CB 4.44Å; H134-E137 HydrophobicContact CB-CG 4.44Å; H134-E137 IonicContact ND1-OE1 3.78Å; H134-E137 IonicContact ND1-OE2 3.64Å; H134-E137 WeakPolarHBondContact O-CA 3.43Å; H134-E137 WeakPolarHBondContact O-CB 3.45Å; H134-E137 PolarHBondContact O-N 3.16Å; H134-C138 PolarHBondContact O-N 2.97Å; H134-R178 PolarHBondContact CD2-NH1 3.37Å; H134-R178 PolarHBondContact CD2-NH2 2.99Å; H134-R178 PolarHBondContact CE1-NH1 2.94Å; H134-R178 PolarHBondContact ND1-NH1 3.04Å; H134-R178 VanDerWaalsContact ND1-NH1 3.13Å; H134-R178 PolarHBondContact NE2-NH1 3.44Å; H134-R178 PolarHBondContact NE2-NH2 2.87Å; H134-Q215 PolarHBondContact CE1-NE2 3.06Å; H134-D219 IonicContact CD2-OD2 3.66Å; H134-D219 IonicContact CE1-OD1 2.62Å; H134-D219 PolarHBondContact CE1-OD1 2.79Å; H134-D219 VanDerWaalsContact CE1-OD1 3.24Å; H134-D219 IonicContact CE1-OD2 3.3Å; H134-D219 IonicContact NE2-OD1 3.6Å; H134-D219 PolarHBondContact NE2-OD1 3.06Å; H134-D219 IonicContact NE2-OD2 3.03Å; H134-D219 PolarHBondContact NE2-OD2 3.35Å
135	A	93.1	Very high	95.4	Very high	58 Å²	58	58.7 Å²	58.7	48%	0.479	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.5	-179.5	0	0	0	0	0	113.3	E131 A132	E131-A135 PolarHBondContact O-N 3.1Å; A132-A135 PolarHBondContact O-N 2.96Å
136	T	92.8	Very high	95.2	Very high	142 Å²	142	55.4 Å²	55.4	87%	0.871	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.3	173.6	54.7	0	0	0	0	113.4	H134	H134-T136 PolarHBondContact O-N 2.91Å
137	E	91.8	Very high	94.8	Very high	106 Å²	106	58.4 Å²	58.4	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-42.2	176.1	-57	-178.4	172.2	0	0	110.8	H134 R178	H134-E137 HydrophobicContact CB-CB 4.44Å; H134-E137 HydrophobicContact CB-CG 4.44Å; H134-E137 IonicContact ND1-OE1 3.78Å; H134-E137 IonicContact ND1-OE2 3.64Å; H134-E137 WeakPolarHBondContact O-CA 3.43Å; H134-E137 WeakPolarHBondContact O-CB 3.45Å; H134-E137 PolarHBondContact O-N 3.16Å; E137-R178 IonicContact OE2-NH1 3.19Å; E137-R178 PolarHBondContact OE2-NH1 3.48Å
138	C	92.5	Very high	94.1	Very high	7 Å²	7	60.1 Å²	60.1	5%	0.047	32%	0.323	C	S	.	.			trans	-156.7	124.1	-176.4	-170.8	0	0	0	0	110	H134 R178 C179	H134-C138 PolarHBondContact O-N 2.97Å; C138-R178 HydrophobicContact CB-CG 3.42Å; C138-R178 VanDerWaalsContact CB-CG 3.42Å; C138-C179 HydrophobicContact CB-CB 3.73Å; C138-C179 WeakPolarHBondContact CB-SG 3.41Å; C138-C179 WeakPolarHBondContact SG-CB 3.23Å; C138-C179 PolarHBondContact SG-N 3.15Å; C138-C179 CovalentContact SG-SG 2.05Å; C138-C179 PolarHBondContact SG-SG 2.94Å
139	D	92.8	Very high	93.2	Very high	136 Å²	136	58.4 Å²	58.4	73%	0.727	32%	0.315	S	S	*	.	S	Bend	trans	-95.8	-9.4	178.7	64.5	-8.9	0	0	0	113.3	P141	D139-P141 VanDerWaalsContact C-CD 3.49Å
140	C	94	Very high	92.2	Very high	57 Å²	57	53.2 Å²	53.2	39%	0.385	30%	0.304	S	S	.	.			trans	-130.8	59	-173.4	55.4	0	0	0	0	113.2
141	P	96.8	Very high	91.1	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.071	34%	0.34	C	S	.	.			trans	-59.8	142.2	177	28.3	-36.1	0	0	0	111.3	W124 L128 E131 D139 V176 D177	W124-P141 WeakPolarHBondContact CZ2-O 3.42Å; L128-P141 HydrophobicContact CD2-CG 3.66Å; E131-P141 HydrophobicContact CB-CB 4.49Å; E131-P141 HydrophobicContact CB-CG 4.04Å; E131-P141 HydrophobicContact CG-CB 4.16Å; E131-P141 HydrophobicContact CG-CG 4.18Å; D139-P141 VanDerWaalsContact C-CD 3.49Å; P141-V176 HydrophobicContact CB-CG1 3.82Å; P141-D177 WeakPolarHBondContact CA-O 3.33Å
142	K	97.3	Very high	90.5	Very high	54 Å²	54	66.4 Å²	66.4	24%	0.235	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.2	-179.5	-58.9	-173.3	177.6	180	0	111.9	P72 A74 T76 K144 V176 D177	P72-K142 HydrophobicContact CB-CB 4.47Å; P72-K142 HydrophobicContact CB-CD 4.45Å; P72-K142 HydrophobicContact CB-CG 4.02Å; P72-K142 HydrophobicContact CG-CB 4.4Å; P72-K142 HydrophobicContact CG-CG 4.1Å; A74-K142 HydrophobicContact CB-CB 3.97Å; T76-K142 PolarHBondContact O-NZ 2.78Å; K142-K144 PolarHBondContact O-N 2.49Å; K142-V176 CarbonylContact O-C 3.56Å; K142-V176 WeakPolarHBondContact O-CA 3.42Å; K142-D177 PolarHBondContact N-O 3.02Å; K142-D177 PolarHBondContact O-N 3.42Å
143	L	97.5	Very high	90.2	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.016	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.9	174.4	-179.4	63.9	0	0	0	109.6	I71 P72 A74 W80 W124 S145 F146 W174	I71-L143 HydrophobicContact CG2-CB 3.54Å; I71-L143 HydrophobicContact CG2-CD2 3.86Å; I71-L143 HydrophobicContact CG2-CG 4.34Å; P72-L143 PolarHBondContact O-N 2.95Å; A74-L143 PolarHBondContact N-O 3.06Å; W80-L143 PolarHBondContact NE1-O 3.43Å; W80-L143 VanDerWaalsContact NE1-O 3.15Å; W124-L143 HydrophobicContact CZ3-CB 4.17Å; L143-S145 WeakPolarHBondContact CD1-O 3.43Å; L143-F146 HydrophobicContact CD2-CD1 4.1Å; L143-W174 HydrophobicContact CD1-CB 3.99Å; L143-W174 HydrophobicContact CD1-CD2 3.91Å; L143-W174 HydrophobicContact CD1-CE3 3.58Å; L143-W174 HydrophobicContact CD1-CG 4.11Å; L143-W174 HydrophobicContact CD1-CZ3 4.39Å; L143-W174 HydrophobicContact CD2-CD2 4.35Å; L143-W174 HydrophobicContact CD2-CE3 3.96Å; L143-W174 HydrophobicContact CD2-CH2 4.47Å; L143-W174 HydrophobicContact CD2-CZ3 4.02Å; L143-W174 HydrophobicContact CG-CE3 4.39Å
144	K	95.8	Very high	89.9	Confident	86 Å²	86	64.6 Å²	64.6	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-48.6	177.9	-176.1	169.5	-175.1	158.7	0	112	A74 K142 I175 D177 E182	A74-K144 HydrophobicContact CB-CB 3.88Å; A74-K144 HydrophobicContact CB-CG 4.29Å; K142-K144 PolarHBondContact O-N 2.49Å; K144-I175 WeakPolarHBondContact CA-O 3.41Å; K144-I175 HydrophobicContact CB-CB 4.48Å; K144-I175 HydrophobicContact CB-CG2 4.3Å; K144-I175 WeakPolarHBondContact CB-O 3.12Å; K144-I175 HydrophobicContact CD-CG2 4.41Å; K144-I175 PolarHBondContact N-O 2.64Å; K144-D177 HydrophobicContact CB-CB 4.24Å; K144-E182 HydrophobicContact CD-CG 4.05Å; K144-E182 VanDerWaalsContact CE-OE1 3.23Å; K144-E182 WeakPolarHBondContact CE-OE1 3.48Å; K144-E182 IonicContact NZ-OE1 2.65Å; K144-E182 PolarHBondContact NZ-OE1 3.05Å
145	S	94.2	Very high	89.5	Confident	20 Å²	20	68.5 Å²	68.5	14%	0.14	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.6	178	61.2	0	0	0	0	111.5	A43 L143 W174 I175	A43-S145 VanDerWaalsContact O-CA 3.29Å; A43-S145 WeakPolarHBondContact O-CA 3.44Å; A43-S145 WeakPolarHBondContact O-CB 3.4Å; L143-S145 WeakPolarHBondContact CD1-O 3.43Å; S145-W174 WeakPolarHBondContact O-CA 3.49Å; S145-I175 PolarHBondContact N-O 2.93Å; S145-I175 PolarHBondContact O-N 3.42Å; S145-I175 WeakPolarHBondContact OG-CB 3.22Å; S145-I175 WeakPolarHBondContact OG-CG1 3.23Å
146	F	92.6	Very high	89.3	Confident	56 Å²	56	70.4 Å²	70.4	25%	0.246	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.3	172.8	62.5	-85.9	0	0	0	109.6	N44 W80 L143 D173 W174	N44-F146 WeakPolarHBondContact OD1-CE2 3.17Å; N44-F146 WeakPolarHBondContact OD1-CZ 3.44Å; W80-F146 HydrophobicContact CD2-CE1 4.34Å; W80-F146 AromaticContact CE3-CE1 3.85Å; W80-F146 HydrophobicContact CE3-CE1 3.85Å; W80-F146 HydrophobicContact CH2-CD1 4.36Å; W80-F146 AromaticContact CH2-CE1 3.98Å; W80-F146 HydrophobicContact CH2-CE1 3.98Å; W80-F146 HydrophobicContact CZ2-CE1 4.48Å; W80-F146 HydrophobicContact CZ3-CD1 4.46Å; W80-F146 AromaticContact CZ3-CE1 3.66Å; W80-F146 HydrophobicContact CZ3-CE1 3.66Å; L143-F146 HydrophobicContact CD2-CD1 4.1Å; F146-D173 WeakPolarHBondContact CA-O 3.27Å; F146-W174 VanDerWaalsContact CB-CD1 3.5Å; F146-W174 HydrophobicContact CB-CD2 4.32Å; F146-W174 HydrophobicContact CB-CG 4Å
147	R	88.7	Confident	89.1	Confident	111 Å²	111	63.7 Å²	63.7	42%	0.419	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	133.4	179.1	-172.2	171.4	-178.2	-105.1	-0.5	110	D149 H172 D173	R147-D149 IonicContact NH1-OD2 2.75Å; R147-H172 CarbonylContact O-C 3.42Å; R147-H172 WeakPolarHBondContact O-CA 3.34Å; R147-D173 PolarHBondContact N-O 2.95Å; R147-D173 PolarHBondContact O-N 2.85Å
148	G	83	Confident	89.1	Confident	35 Å²	35	66.1 Å²	66.1	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.4	168.6	0	0	0	0	0	110.3
149	D	78.9	Confident	89.1	Confident	34 Å²	34	70.7 Å²	70.7	18%	0.182	35%	0.35	C	S	.	.			trans	-140.5	55.1	174.8	-159.7	-10.3	0	0	0	110.4	R147 Q151 K152 R171	R147-D149 IonicContact NH1-OD2 2.75Å; D149-Q151 PolarHBondContact O-N 2.83Å; D149-K152 HydrophobicContact CB-CB 4.36Å; D149-K152 PolarHBondContact O-N 2.88Å; D149-K152 WeakPolarHBondContact OD1-CB 3.45Å; D149-K152 WeakPolarHBondContact OD2-CB 3.06Å; D149-K152 WeakPolarHBondContact OD2-CD 3.35Å; D149-R171 PolarHBondContact N-O 3.49Å; D149-R171 WeakPolarHBondContact O-CD 3.39Å
150	A	73.6	Confident	89	Confident	43 Å²	43	67.8 Å²	67.8	36%	0.355	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.8	-172.2	0	0	0	0	0	114.1
151	Q	74.9	Confident	89	Confident	174 Å²	174	69.8 Å²	69.8	81%	0.813	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.6	-177.9	-63.5	-173.9	2.8	0	0	113.6	D149 Y153	D149-Q151 PolarHBondContact O-N 2.83Å; Q151-Y153 VanDerWaalsContact C-N 3.33Å; Q151-Y153 PolarHBondContact O-N 2.88Å; Q151-Y153 VanDerWaalsContact O-N 3.1Å
152	K	84.9	Confident	88.8	Confident	126 Å²	126	76.1 Å²	76.1	55%	0.548	37%	0.365	S	S	.	.			trans	-91.8	61.9	-173.2	-164.5	179.6	-178	178	0	112.1	D149 T154 R171	D149-K152 HydrophobicContact CB-CB 4.36Å; D149-K152 PolarHBondContact O-N 2.88Å; D149-K152 WeakPolarHBondContact OD1-CB 3.45Å; D149-K152 WeakPolarHBondContact OD2-CB 3.06Å; D149-K152 WeakPolarHBondContact OD2-CD 3.35Å; K152-T154 PolarHBondContact O-N 2.77Å; K152-R171 WeakPolarHBondContact O-CD 3.14Å; K152-R171 PolarHBondContact O-NE 3.37Å; K152-R171 PolarHBondContact O-NH2 2.85Å
153	Y	88	Confident	88.6	Confident	78 Å²	78	79.3 Å²	79.3	31%	0.306	38%	0.384	S	S	.	.			trans	-48.7	134.4	179.6	-58.8	-58.2	0	0	0	112.9	Q151 L167 P168	Q151-Y153 VanDerWaalsContact C-N 3.33Å; Q151-Y153 PolarHBondContact O-N 2.88Å; Q151-Y153 VanDerWaalsContact O-N 3.1Å; Y153-L167 HydrophobicContact CD1-CD2 4.14Å; Y153-L167 HydrophobicContact CD2-CD1 4.38Å; Y153-L167 HydrophobicContact CD2-CD2 4.35Å; Y153-L167 HydrophobicContact CE1-CB 4.19Å; Y153-L167 HydrophobicContact CE1-CD2 4.42Å; Y153-L167 HydrophobicContact CE2-CD1 3.96Å; Y153-L167 HydrophobicContact CG-CD2 4.11Å; Y153-P168 HydrophobicContact CD1-CG 3.96Å; Y153-P168 HydrophobicContact CE1-CG 4.18Å
154	T	88.7	Confident	88.3	Confident	10 Å²	10	82.5 Å²	82.5	6%	0.061	42%	0.417	C	S	.	.			trans	-63.7	155.6	176.1	58.4	0	0	0	0	111.5	K152 R156 A157 R158 V186 R208	K152-T154 PolarHBondContact O-N 2.77Å; T154-R156 PolarHBondContact O-N 3.14Å; T154-R156 VanDerWaalsContact O-N 3.16Å; T154-A157 PolarHBondContact O-N 3.37Å; T154-A157 WeakPolarHBondContact OG1-CB 3.39Å; T154-A157 PolarHBondContact OG1-N 3.15Å; T154-R158 WeakPolarHBondContact O-CG 2.98Å; T154-R158 PolarHBondContact O-N 2.95Å; T154-V186 HydrophobicContact CG2-CG1 3.63Å; T154-R208 VanDerWaalsContact CG2-NH2 3.34Å; T154-R208 PolarHBondContact OG1-NH2 2.75Å
155	P	88.3	Confident	88.1	Confident	91 Å²	91	85.6 Å²	85.6	59%	0.591	43%	0.428	S	S	*	.	H	α-helix	trans	-52.4	-35.8	169.6	-27.3	35.3	0	0	0	112.7	R158 L159	P155-R158 PolarHBondContact O-N 3.39Å; P155-L159 WeakPolarHBondContact O-CB 3.48Å; P155-L159 PolarHBondContact O-N 3.3Å
156	R	87.4	Confident	87.9	Confident	99 Å²	99	91.2 Å²	91.2	37%	0.374	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-48.2	174.6	179.5	179.1	178.6	79.1	-14.1	112.3	T154 R158 L159 R160 D206	T154-R156 PolarHBondContact O-N 3.14Å; T154-R156 VanDerWaalsContact O-N 3.16Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-L159 PolarHBondContact O-N 3.49Å; R156-R160 WeakPolarHBondContact O-CB 3.35Å; R156-R160 WeakPolarHBondContact O-CG 3.4Å; R156-R160 PolarHBondContact O-N 2.97Å; R156-D206 IonicContact NE-OD2 2.77Å; R156-D206 PolarHBondContact NE-OD2 3.33Å; R156-D206 IonicContact NH2-OD2 3.98Å
157	A	90	Very high	87.8	Confident	1 Å²	1	91 Å²	91	1%	0.008	45%	0.453	C	S	.	.	H	α-helix	trans	-62.7	-41.7	178.2	0	0	0	0	0	111.2	T154 R160 H161 L167 P168	T154-A157 PolarHBondContact O-N 3.37Å; T154-A157 WeakPolarHBondContact OG1-CB 3.39Å; T154-A157 PolarHBondContact OG1-N 3.15Å; A157-R160 PolarHBondContact O-N 3.07Å; A157-H161 WeakPolarHBondContact O-CB 3.4Å; A157-H161 PolarHBondContact O-N 2.86Å; A157-L167 HydrophobicContact CB-CD2 4.39Å; A157-P168 HydrophobicContact CB-CG 4.26Å
158	R	91.7	Very high	88	Confident	156 Å²	156	85.9 Å²	85.9	59%	0.589	43%	0.434	S	S	*	.	H	α-helix	trans	-62.1	-44.6	175.8	-68	178.9	179	-176.4	-2.6	112.8	T154 P155 R156 H161 L162	T154-R158 WeakPolarHBondContact O-CG 2.98Å; T154-R158 PolarHBondContact O-N 2.95Å; P155-R158 PolarHBondContact O-N 3.39Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-H161 PolarHBondContact O-N 2.85Å; R158-L162 PolarHBondContact O-N 2.83Å
159	L	92.5	Very high	88.4	Confident	104 Å²	104	89.5 Å²	89.5	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-43.1	177.9	178.2	62	0	0	0	111.8	P155 R156 H161 L162 L163	P155-L159 WeakPolarHBondContact O-CB 3.48Å; P155-L159 PolarHBondContact O-N 3.3Å; R156-L159 PolarHBondContact O-N 3.49Å; L159-H161 VanDerWaalsContact C-N 3.29Å; L159-H161 PolarHBondContact O-N 3.01Å; L159-L162 WeakPolarHBondContact O-CB 3.25Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 2.96Å
160	R	91.1	Very high	88.9	Confident	74 Å²	74	90 Å²	90	28%	0.279	44%	0.442	S	S	.	.	H	α-helix	trans	-60.5	-41.9	174.1	-80.5	178	164.4	173.1	-11.2	111.3	R156 A157 L162 L163 G164 Y165 D206	R156-R160 WeakPolarHBondContact O-CB 3.35Å; R156-R160 WeakPolarHBondContact O-CG 3.4Å; R156-R160 PolarHBondContact O-N 2.97Å; A157-R160 PolarHBondContact O-N 3.07Å; R160-L162 VanDerWaalsContact C-N 3.31Å; R160-L162 PolarHBondContact O-N 3.14Å; R160-L163 CarbonylContact O-C 3.59Å; R160-L163 WeakPolarHBondContact O-CA 3.45Å; R160-L163 WeakPolarHBondContact O-CB 3.5Å; R160-L163 PolarHBondContact O-N 2.84Å; R160-G164 PolarHBondContact O-N 2.77Å; R160-Y165 HydrophobicContact CB-CD2 4.33Å; R160-Y165 HydrophobicContact CB-CG 4.47Å; R160-Y165 WeakPolarHBondContact O-CB 3.4Å; R160-Y165 WeakPolarHBondContact O-CD2 3.37Å; R160-Y165 PolarHBondContact O-N 2.7Å; R160-Y165 VanDerWaalsContact O-N 3.1Å; R160-D206 IonicContact CZ-OD2 3.02Å; R160-D206 IonicContact NH1-OD2 3.8Å; R160-D206 PolarHBondContact NH1-OD2 3.16Å; R160-D206 IonicContact NH2-OD2 3.44Å
161	H	92.1	Very high	89.8	Confident	99 Å²	99	88.7 Å²	88.7	46%	0.458	43%	0.428	S	S	.	.	H	α-helix	trans	-61	-41.2	176.7	-173.8	53.8	0	0	0	112.9	A157 R158 L159 L163 G164 Y165 L167	A157-H161 WeakPolarHBondContact O-CB 3.4Å; A157-H161 PolarHBondContact O-N 2.86Å; R158-H161 PolarHBondContact O-N 2.85Å; L159-H161 VanDerWaalsContact C-N 3.29Å; L159-H161 PolarHBondContact O-N 3.01Å; H161-L163 PolarHBondContact O-N 2.87Å; H161-G164 PolarHBondContact O-N 3.02Å; H161-Y165 WeakPolarHBondContact CA-O 3.38Å; H161-Y165 PolarHBondContact ND1-O 2.95Å; H161-Y165 VanDerWaalsContact ND1-O 3.13Å; H161-L167 HydrophobicContact CB-CD2 3.62Å; H161-L167 HydrophobicContact CB-CG 3.87Å
162	L	93.2	Very high	90.7	Very high	145 Å²	145	81.5 Å²	81.5	76%	0.759	40%	0.395	S	S	*	.	H	α-helix	trans	-59.8	-29.3	173.6	-175.9	64.1	0	0	0	112.9	R158 L159 R160 G164	R158-L162 PolarHBondContact O-N 2.83Å; L159-L162 WeakPolarHBondContact O-CB 3.25Å; L159-L162 PolarHBondContact O-N 2.89Å; R160-L162 VanDerWaalsContact C-N 3.31Å; R160-L162 PolarHBondContact O-N 3.14Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 3.44Å
163	L	94.4	Very high	91.1	Very high	121 Å²	121	76.7 Å²	76.7	63%	0.634	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	8.8	176.4	-63.2	172.7	0	0	0	113.4	L159 R160 H161 Y165	L159-L163 WeakPolarHBondContact O-CG 3.4Å; L159-L163 PolarHBondContact O-N 2.96Å; R160-L163 CarbonylContact O-C 3.59Å; R160-L163 WeakPolarHBondContact O-CA 3.45Å; R160-L163 WeakPolarHBondContact O-CB 3.5Å; R160-L163 PolarHBondContact O-N 2.84Å; H161-L163 PolarHBondContact O-N 2.87Å; L163-Y165 HydrophobicContact CB-CD2 3.93Å; L163-Y165 HydrophobicContact CB-CE2 4Å
164	G	91.3	Very high	91.5	Very high	70 Å²	70	73.2 Å²	73.2	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	6.6	176.7	0	0	0	0	0	115.3	R160 H161 L162	R160-G164 PolarHBondContact O-N 2.77Å; H161-G164 PolarHBondContact O-N 3.02Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 3.44Å
165	Y	89.8	Confident	91.9	Very high	151 Å²	151	74.4 Å²	74.4	59%	0.592	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-81.1	156.1	173.3	-62.5	-90.4	0	0	0	111.3	R160 H161 L163	R160-Y165 HydrophobicContact CB-CD2 4.33Å; R160-Y165 HydrophobicContact CB-CG 4.47Å; R160-Y165 WeakPolarHBondContact O-CB 3.4Å; R160-Y165 WeakPolarHBondContact O-CD2 3.37Å; R160-Y165 PolarHBondContact O-N 2.7Å; R160-Y165 VanDerWaalsContact O-N 3.1Å; H161-Y165 WeakPolarHBondContact CA-O 3.38Å; H161-Y165 PolarHBondContact ND1-O 2.95Å; H161-Y165 VanDerWaalsContact ND1-O 3.13Å; L163-Y165 HydrophobicContact CB-CD2 3.93Å; L163-Y165 HydrophobicContact CB-CE2 4Å
166	E	90.7	Very high	92.4	Very high	138 Å²	138	70.1 Å²	70.1	65%	0.645	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-71.9	148.7	176.6	-63.9	-173.6	171.6	0	0	111.8	Y190	E166-Y190 WeakPolarHBondContact O-CE1 3.39Å
167	L	91.4	Very high	92.8	Very high	52 Å²	52	67 Å²	67	27%	0.272	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76.6	151.3	171.5	-75.2	168	0	0	0	109.7	Y153 A157 H161 F169	Y153-L167 HydrophobicContact CD1-CD2 4.14Å; Y153-L167 HydrophobicContact CD2-CD1 4.38Å; Y153-L167 HydrophobicContact CD2-CD2 4.35Å; Y153-L167 HydrophobicContact CE1-CB 4.19Å; Y153-L167 HydrophobicContact CE1-CD2 4.42Å; Y153-L167 HydrophobicContact CE2-CD1 3.96Å; Y153-L167 HydrophobicContact CG-CD2 4.11Å; A157-L167 HydrophobicContact CB-CD2 4.39Å; H161-L167 HydrophobicContact CB-CD2 3.62Å; H161-L167 HydrophobicContact CB-CG 3.87Å; L167-F169 PolarHBondContact O-N 3.24Å
168	P	92.3	Very high	93.1	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.019	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-64.2	136.1	173.4	28.3	-33	0	0	0	110	Y153 A157 D170 D188 Y189 Y190	Y153-P168 HydrophobicContact CD1-CG 3.96Å; Y153-P168 HydrophobicContact CE1-CG 4.18Å; A157-P168 HydrophobicContact CB-CG 4.26Å; P168-D170 VanDerWaalsContact C-N 3.26Å; P168-D188 HydrophobicContact CB-CB 3.81Å; P168-D188 HydrophobicContact CG-CB 4.08Å; P168-Y189 CarbonylContact C-O 3.59Å; P168-Y189 WeakPolarHBondContact CA-O 3.42Å; P168-Y189 WeakPolarHBondContact CB-O 3.37Å; P168-Y190 HydrophobicContact CB-CD1 4.11Å; P168-Y190 HydrophobicContact CB-CD2 4.45Å; P168-Y190 HydrophobicContact CB-CE1 3.88Å; P168-Y190 HydrophobicContact CB-CE2 4.21Å; P168-Y190 HydrophobicContact CB-CG 4.39Å; P168-Y190 HydrophobicContact CG-CE1 4.2Å
169	F	90.2	Very high	93.2	Very high	111 Å²	111	63.2 Å²	63.2	49%	0.487	33%	0.325	S	S	.	.	S	Bend	trans	-74.9	-22.1	177.7	66	-100.5	0	0	0	111.8	L167 Y189 Y190 T203	L167-F169 PolarHBondContact O-N 3.24Å; F169-Y189 VanDerWaalsContact CD1-O 3.3Å; F169-Y189 WeakPolarHBondContact CD1-O 3.33Å; F169-Y189 HydrophobicContact CZ-CG 4.5Å; F169-Y189 PolarHBondContact N-O 2.79Å; F169-Y190 WeakPolarHBondContact CE1-O 3.46Å; F169-T203 HydrophobicContact CE1-CG2 4.34Å; F169-T203 HydrophobicContact CZ-CG2 4.02Å
170	D	90.1	Very high	93.3	Very high	43 Å²	43	61.5 Å²	61.5	23%	0.23	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.3	177.2	-163.6	7	0	0	0	111	P168 H172 Y189	P168-D170 VanDerWaalsContact C-N 3.26Å; D170-H172 VanDerWaalsContact CG-CE1 3.46Å; D170-H172 IonicContact OD1-CE1 2.81Å; D170-H172 PolarHBondContact OD1-CE1 3.34Å; D170-H172 VanDerWaalsContact OD1-CE1 3.25Å; D170-H172 IonicContact OD1-ND1 2.6Å; D170-H172 PolarHBondContact OD1-ND1 2.88Å; D170-H172 IonicContact OD2-CE1 3.98Å; D170-H172 PolarHBondContact OD2-CE1 2.84Å; D170-H172 IonicContact OD2-ND1 3.98Å; D170-Y189 HydrophobicContact CB-CD2 4.07Å; D170-Y189 PolarHBondContact O-N 2.54Å
171	R	92.9	Very high	93.5	Very high	16 Å²	16	61.8 Å²	61.8	6%	0.06	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	131.6	-176.5	-177.3	-148.2	-143.9	-96	23.3	110.4	D149 K152 D173 V186 I187 D188	D149-R171 PolarHBondContact N-O 3.49Å; D149-R171 WeakPolarHBondContact O-CD 3.39Å; K152-R171 WeakPolarHBondContact O-CD 3.14Å; K152-R171 PolarHBondContact O-NE 3.37Å; K152-R171 PolarHBondContact O-NH2 2.85Å; R171-D173 IonicContact CZ-OD1 2.74Å; R171-D173 IonicContact CZ-OD2 4Å; R171-D173 IonicContact NH1-OD1 3.75Å; R171-D173 PolarHBondContact NH1-OD1 3.49Å; R171-D173 IonicContact NH1-OD2 3.22Å; R171-D173 PolarHBondContact NH1-OD2 2.91Å; R171-V186 HydrophobicContact CG-CG1 4.48Å; R171-I187 WeakPolarHBondContact CA-O 3.46Å; R171-D188 WeakPolarHBondContact CG-OD1 3.2Å
172	H	92.9	Very high	93.7	Very high	24 Å²	24	62.6 Å²	62.6	11%	0.111	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.4	177.5	-73.6	62.7	0	0	0	111.6	R147 D170 I187 Y189	R147-H172 CarbonylContact O-C 3.42Å; R147-H172 WeakPolarHBondContact O-CA 3.34Å; D170-H172 VanDerWaalsContact CG-CE1 3.46Å; D170-H172 IonicContact OD1-CE1 2.81Å; D170-H172 PolarHBondContact OD1-CE1 3.34Å; D170-H172 VanDerWaalsContact OD1-CE1 3.25Å; D170-H172 IonicContact OD1-ND1 2.6Å; D170-H172 PolarHBondContact OD1-ND1 2.88Å; D170-H172 IonicContact OD2-CE1 3.98Å; D170-H172 PolarHBondContact OD2-CE1 2.84Å; D170-H172 IonicContact OD2-ND1 3.98Å; H172-I187 HydrophobicContact CB-CB 4.4Å; H172-I187 PolarHBondContact N-O 3.25Å; H172-I187 PolarHBondContact O-N 3.45Å; H172-Y189 HydrophobicContact CB-CE2 4.4Å; H172-Y189 AromaticContact ND1-CE2 3.74Å
173	D	94.5	Very high	93.9	Very high	25 Å²	25	55.8 Å²	55.8	13%	0.134	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.2	173.1	-68	-100.8	0	0	0	106.9	F146 R147 R171 H184 Y185	F146-D173 WeakPolarHBondContact CA-O 3.27Å; R147-D173 PolarHBondContact N-O 2.95Å; R147-D173 PolarHBondContact O-N 2.85Å; R171-D173 IonicContact CZ-OD1 2.74Å; R171-D173 IonicContact CZ-OD2 4Å; R171-D173 IonicContact NH1-OD1 3.75Å; R171-D173 PolarHBondContact NH1-OD1 3.49Å; R171-D173 IonicContact NH1-OD2 3.22Å; R171-D173 PolarHBondContact NH1-OD2 2.91Å; D173-H184 WeakPolarHBondContact CB-NE2 3.46Å; D173-H184 IonicContact OD1-CE1 3.24Å; D173-H184 PolarHBondContact OD1-CE1 3.22Å; D173-H184 IonicContact OD1-NE2 3.06Å; D173-H184 PolarHBondContact OD1-NE2 2.86Å; D173-Y185 WeakPolarHBondContact CA-O 3.49Å
174	W	96.4	Very high	94	Very high	5 Å²	5	52 Å²	52	2%	0.019	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.5	-178.4	-74.7	25.8	0	0	0	109.3	I71 N120 A123 W124 I127 L143 S145 F146 Y185 I187	I71-W174 HydrophobicContact CD1-CH2 3.77Å; I71-W174 HydrophobicContact CD1-CZ3 4Å; N120-W174 HydrophobicContact CB-CH2 4.37Å; N120-W174 HydrophobicContact CB-CZ2 4.48Å; A123-W174 HydrophobicContact CB-CH2 4.33Å; W124-W174 HydrophobicContact CB-CZ3 4.2Å; W124-W174 HydrophobicContact CE3-CE3 4.3Å; W124-W174 AromaticContact CE3-CZ3 3.96Å; W124-W174 HydrophobicContact CE3-CZ3 3.96Å; I127-W174 HydrophobicContact CD1-CB 4.46Å; I127-W174 HydrophobicContact CD1-CD2 4.18Å; I127-W174 HydrophobicContact CD1-CE3 3.4Å; I127-W174 HydrophobicContact CD1-CZ3 3.97Å; L143-W174 HydrophobicContact CD1-CB 3.99Å; L143-W174 HydrophobicContact CD1-CD2 3.91Å; L143-W174 HydrophobicContact CD1-CE3 3.58Å; L143-W174 HydrophobicContact CD1-CG 4.11Å; L143-W174 HydrophobicContact CD1-CZ3 4.39Å; L143-W174 HydrophobicContact CD2-CD2 4.35Å; L143-W174 HydrophobicContact CD2-CE3 3.96Å; L143-W174 HydrophobicContact CD2-CH2 4.47Å; L143-W174 HydrophobicContact CD2-CZ3 4.02Å; L143-W174 HydrophobicContact CG-CE3 4.39Å; S145-W174 WeakPolarHBondContact O-CA 3.49Å; F146-W174 VanDerWaalsContact CB-CD1 3.5Å; F146-W174 HydrophobicContact CB-CD2 4.32Å; F146-W174 HydrophobicContact CB-CG 4Å; W174-Y185 PolarHBondContact N-O 2.73Å; W174-Y185 PolarHBondContact O-N 2.83Å; W174-I187 HydrophobicContact CB-CD1 4.15Å; W174-I187 HydrophobicContact CD2-CD1 3.44Å; W174-I187 VanDerWaalsContact CD2-CD1 3.44Å; W174-I187 HydrophobicContact CE3-CD1 4.06Å; W174-I187 HydrophobicContact CG-CD1 3.47Å; W174-I187 VanDerWaalsContact CG-CD1 3.47Å; W174-I187 HydrophobicContact CZ2-CD1 4.19Å
175	I	97.2	Very high	94.3	Very high	35 Å²	35	48.6 Å²	48.6	18%	0.179	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.9	171.9	-52	-57.8	0	0	0	107.8	K144 S145 E182 H184	K144-I175 WeakPolarHBondContact CA-O 3.41Å; K144-I175 HydrophobicContact CB-CB 4.48Å; K144-I175 HydrophobicContact CB-CG2 4.3Å; K144-I175 WeakPolarHBondContact CB-O 3.12Å; K144-I175 HydrophobicContact CD-CG2 4.41Å; K144-I175 PolarHBondContact N-O 2.64Å; S145-I175 PolarHBondContact N-O 2.93Å; S145-I175 PolarHBondContact O-N 3.42Å; S145-I175 WeakPolarHBondContact OG-CB 3.22Å; S145-I175 WeakPolarHBondContact OG-CG1 3.23Å; I175-E182 HydrophobicContact CG2-CB 3.88Å; I175-E182 HydrophobicContact CG2-CG 4Å; I175-H184 HydrophobicContact CD1-CB 3.83Å
176	V	97.5	Very high	94.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.9	176.5	-179.5	0	0	0	0	108.3	W124 I127 P141 K142 E182 V183 Y185	W124-V176 HydrophobicContact CH2-CG1 4.43Å; W124-V176 HydrophobicContact CZ3-CG1 4.49Å; W124-V176 HydrophobicContact CZ3-CG2 4.12Å; I127-V176 HydrophobicContact CD1-CG2 4.32Å; I127-V176 HydrophobicContact CG2-CG2 3.79Å; P141-V176 HydrophobicContact CB-CG1 3.82Å; K142-V176 CarbonylContact O-C 3.56Å; K142-V176 WeakPolarHBondContact O-CA 3.42Å; V176-E182 CarbonylContact O-C 3.57Å; V176-E182 WeakPolarHBondContact O-CA 3.18Å; V176-V183 HydrophobicContact CB-CB 4.47Å; V176-V183 PolarHBondContact N-O 2.95Å; V176-V183 PolarHBondContact O-N 3.1Å; V176-Y185 HydrophobicContact CB-CD2 4.25Å; V176-Y185 HydrophobicContact CB-CE2 4.25Å; V176-Y185 HydrophobicContact CG2-CD2 3.62Å; V176-Y185 HydrophobicContact CG2-CE2 3.92Å
177	D	97.2	Very high	94.8	Very high	34 Å²	34	35.3 Å²	35.3	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	107.3	168.2	179.2	13.8	0	0	0	109	A74 P141 K142 K144 C179 G180	A74-D177 HydrophobicContact CB-CB 3.76Å; P141-D177 WeakPolarHBondContact CA-O 3.33Å; K142-D177 PolarHBondContact N-O 3.02Å; K142-D177 PolarHBondContact O-N 3.42Å; K144-D177 HydrophobicContact CB-CB 4.24Å; D177-C179 PolarHBondContact O-N 3.3Å; D177-C179 PolarHBondContact OD1-N 3.04Å; D177-G180 WeakPolarHBondContact OD1-CA 3.28Å; D177-G180 PolarHBondContact OD1-N 3.26Å
178	R	96.1	Very high	95	Very high	6 Å²	6	32.8 Å²	32.8	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	80.3	171.6	-174.1	-163.6	-59.1	171.5	0.6	108.3	E131 H134 E137 C138 G180 K181 V183	E131-R178 IonicContact OE1-CZ 2.75Å; E131-R178 IonicContact OE1-NE 2.89Å; E131-R178 IonicContact OE1-NH2 3.99Å; E131-R178 PolarHBondContact OE1-NH2 2.99Å; E131-R178 IonicContact OE2-CZ 3.81Å; E131-R178 IonicContact OE2-NE 3.76Å; E131-R178 PolarHBondContact OE2-NE 2.71Å; E131-R178 IonicContact OE2-NH2 3.43Å; E131-R178 PolarHBondContact OE2-NH2 2.7Å; H134-R178 PolarHBondContact CD2-NH1 3.37Å; H134-R178 PolarHBondContact CD2-NH2 2.99Å; H134-R178 PolarHBondContact CE1-NH1 2.94Å; H134-R178 PolarHBondContact ND1-NH1 3.04Å; H134-R178 VanDerWaalsContact ND1-NH1 3.13Å; H134-R178 PolarHBondContact NE2-NH1 3.44Å; H134-R178 PolarHBondContact NE2-NH2 2.87Å; E137-R178 IonicContact OE2-NH1 3.19Å; E137-R178 PolarHBondContact OE2-NH1 3.48Å; C138-R178 HydrophobicContact CB-CG 3.42Å; C138-R178 VanDerWaalsContact CB-CG 3.42Å; R178-G180 VanDerWaalsContact C-N 3.31Å; R178-G180 PolarHBondContact O-N 3.26Å; R178-K181 HydrophobicContact CB-CB 4.42Å; R178-K181 PolarHBondContact N-O 2.96Å; R178-K181 WeakPolarHBondContact O-CB 3.35Å; R178-K181 PolarHBondContact O-N 3Å; R178-V183 HydrophobicContact CB-CG2 4.1Å
179	C	94.4	Very high	95	Very high	71 Å²	71	32.9 Å²	32.9	48%	0.48	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	46.1	175.1	-64.2	0	0	0	0	113.4	C138 D177	C138-C179 HydrophobicContact CB-CB 3.73Å; C138-C179 WeakPolarHBondContact CB-SG 3.41Å; C138-C179 WeakPolarHBondContact SG-CB 3.23Å; C138-C179 PolarHBondContact SG-N 3.15Å; C138-C179 CovalentContact SG-SG 2.05Å; C138-C179 PolarHBondContact SG-SG 2.94Å; D177-C179 PolarHBondContact O-N 3.3Å; D177-C179 PolarHBondContact OD1-N 3.04Å
180	G	93.4	Very high	95	Very high	68 Å²	68	28.9 Å²	28.9	70%	0.701	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.1	-14.9	-178.7	0	0	0	0	0	114.3	D177 R178	D177-G180 WeakPolarHBondContact OD1-CA 3.28Å; D177-G180 PolarHBondContact OD1-N 3.26Å; R178-G180 VanDerWaalsContact C-N 3.31Å; R178-G180 PolarHBondContact O-N 3.26Å
181	K	94.9	Very high	94.9	Very high	81 Å²	81	31.1 Å²	31.1	35%	0.352	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.5	177.7	-175.7	179.1	179.2	-178.6	0	111.1	R178 V183	R178-K181 HydrophobicContact CB-CB 4.42Å; R178-K181 PolarHBondContact N-O 2.96Å; R178-K181 WeakPolarHBondContact O-CB 3.35Å; R178-K181 PolarHBondContact O-N 3Å; K181-V183 HydrophobicContact CG-CG2 4.47Å
182	E	96.3	Very high	94.4	Very high	116 Å²	116	31.9 Å²	31.9	54%	0.542	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.4	174.4	-67.7	-175.2	-168.4	0	0	111.9	K144 I175 V176	K144-E182 HydrophobicContact CD-CG 4.05Å; K144-E182 VanDerWaalsContact CE-OE1 3.23Å; K144-E182 WeakPolarHBondContact CE-OE1 3.48Å; K144-E182 IonicContact NZ-OE1 2.65Å; K144-E182 PolarHBondContact NZ-OE1 3.05Å; I175-E182 HydrophobicContact CG2-CB 3.88Å; I175-E182 HydrophobicContact CG2-CG 4Å; V176-E182 CarbonylContact O-C 3.57Å; V176-E182 WeakPolarHBondContact O-CA 3.18Å
183	V	97.4	Very high	93.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.9	178.3	-171.4	0	0	0	0	108.8	V176 R178 K181 Y185	V176-V183 HydrophobicContact CB-CB 4.47Å; V176-V183 PolarHBondContact N-O 2.95Å; V176-V183 PolarHBondContact O-N 3.1Å; R178-V183 HydrophobicContact CB-CG2 4.1Å; K181-V183 HydrophobicContact CG-CG2 4.47Å; V183-Y185 HydrophobicContact CB-CD2 4.48Å; V183-Y185 HydrophobicContact CB-CE2 4.05Å; V183-Y185 HydrophobicContact CG1-CD2 4.03Å; V183-Y185 HydrophobicContact CG1-CE2 3.47Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.47Å
184	H	97	Very high	92.9	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.185	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.4	179.5	-177.5	-158.7	0	0	0	111	D173 I175 A210 N212 N216	D173-H184 WeakPolarHBondContact CB-NE2 3.46Å; D173-H184 IonicContact OD1-CE1 3.24Å; D173-H184 PolarHBondContact OD1-CE1 3.22Å; D173-H184 IonicContact OD1-NE2 3.06Å; D173-H184 PolarHBondContact OD1-NE2 2.86Å; I175-H184 HydrophobicContact CD1-CB 3.83Å; H184-A210 HydrophobicContact CB-CB 3.91Å; H184-A210 VanDerWaalsContact ND1-CB 3.25Å; H184-A210 WeakPolarHBondContact ND1-CB 3.25Å; H184-A210 VanDerWaalsContact O-CB 3.32Å; H184-A210 WeakPolarHBondContact O-CB 3.45Å; H184-A210 PolarHBondContact O-N 3.25Å; H184-N212 PolarHBondContact ND1-ND2 3.42Å; H184-N216 PolarHBondContact O-ND2 3.46Å
185	Y	97.4	Very high	91.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.7	175.1	-80.6	-93.3	0	0	0	111.3	I127 W130 E131 D173 W174 V176 V183 V207 R208 P209	I127-Y185 HydrophobicContact CD1-CG 4.33Å; I127-Y185 HydrophobicContact CG1-CD1 3.94Å; I127-Y185 HydrophobicContact CG1-CE1 4.29Å; I127-Y185 HydrophobicContact CG1-CG 4.1Å; I127-Y185 HydrophobicContact CG2-CD2 4.46Å; I127-Y185 HydrophobicContact CG2-CE2 4.16Å; W130-Y185 HydrophobicContact CB-CE1 3.74Å; W130-Y185 VanDerWaalsContact CB-OH 3.22Å; W130-Y185 WeakPolarHBondContact CB-OH 3.3Å; W130-Y185 AromaticContact CG-CE1 3.93Å; W130-Y185 HydrophobicContact CG-CE1 3.93Å; E131-Y185 WeakPolarHBondContact OE1-CE2 3.45Å; E131-Y185 PolarHBondContact OE1-OH 3.23Å; D173-Y185 WeakPolarHBondContact CA-O 3.49Å; W174-Y185 PolarHBondContact N-O 2.73Å; W174-Y185 PolarHBondContact O-N 2.83Å; V176-Y185 HydrophobicContact CB-CD2 4.25Å; V176-Y185 HydrophobicContact CB-CE2 4.25Å; V176-Y185 HydrophobicContact CG2-CD2 3.62Å; V176-Y185 HydrophobicContact CG2-CE2 3.92Å; V183-Y185 HydrophobicContact CB-CD2 4.48Å; V183-Y185 HydrophobicContact CB-CE2 4.05Å; V183-Y185 HydrophobicContact CG1-CD2 4.03Å; V183-Y185 HydrophobicContact CG1-CE2 3.47Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.47Å; Y185-V207 HydrophobicContact CD1-CG1 4.33Å; Y185-R208 WeakPolarHBondContact CA-O 3.42Å; Y185-R208 VanDerWaalsContact CD1-C 3.48Å; Y185-P209 HydrophobicContact CD1-CG 4.38Å; Y185-P209 HydrophobicContact CE1-CB 4.44Å; Y185-P209 HydrophobicContact CE1-CG 3.74Å
186	V	95.8	Very high	90.6	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.6	169.8	-177.1	0	0	0	0	109.1	T154 R171 R208 A210	T154-V186 HydrophobicContact CG2-CG1 3.63Å; R171-V186 HydrophobicContact CG-CG1 4.48Å; V186-R208 PolarHBondContact N-O 3.14Å; V186-R208 PolarHBondContact O-N 2.95Å; V186-A210 HydrophobicContact CG2-CB 3.86Å
187	I	95.3	Very high	89.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.7	-177.2	-53	164.5	0	0	0	107.2	A123 I127 R171 H172 W174 Y189 V207	A123-I187 HydrophobicContact CB-CD1 4.14Å; A123-I187 HydrophobicContact CB-CG2 4.13Å; I127-I187 HydrophobicContact CD1-CD1 4.25Å; R171-I187 WeakPolarHBondContact CA-O 3.46Å; H172-I187 HydrophobicContact CB-CB 4.4Å; H172-I187 PolarHBondContact N-O 3.25Å; H172-I187 PolarHBondContact O-N 3.45Å; W174-I187 HydrophobicContact CB-CD1 4.15Å; W174-I187 HydrophobicContact CD2-CD1 3.44Å; W174-I187 VanDerWaalsContact CD2-CD1 3.44Å; W174-I187 HydrophobicContact CE3-CD1 4.06Å; W174-I187 HydrophobicContact CG-CD1 3.47Å; W174-I187 VanDerWaalsContact CG-CD1 3.47Å; W174-I187 HydrophobicContact CZ2-CD1 4.19Å; I187-Y189 HydrophobicContact CB-CE2 4.45Å; I187-Y189 HydrophobicContact CG2-CD2 4.28Å; I187-Y189 HydrophobicContact CG2-CE1 4.08Å; I187-Y189 HydrophobicContact CG2-CE2 3.65Å; I187-V207 HydrophobicContact CB-CG2 4.46Å; I187-V207 HydrophobicContact CG1-CG1 4.37Å; I187-V207 HydrophobicContact CG1-CG2 4.2Å; I187-V207 HydrophobicContact CG2-CG2 3.83Å
188	D	94.9	Very high	87.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.4	172.8	-68.4	-30.3	0	0	0	109.1	P168 R171 Y190 D206 R208	P168-D188 HydrophobicContact CB-CB 3.81Å; P168-D188 HydrophobicContact CG-CB 4.08Å; R171-D188 WeakPolarHBondContact CG-OD1 3.2Å; D188-Y190 HydrophobicContact CB-CD2 4.27Å; D188-Y190 HydrophobicContact CB-CE2 3.43Å; D188-Y190 VanDerWaalsContact CB-CE2 3.43Å; D188-Y190 PolarHBondContact OD2-OH 3.17Å; D188-D206 HydrophobicContact CB-CB 4.31Å; D188-D206 PolarHBondContact N-O 3.26Å; D188-D206 PolarHBondContact O-N 2.84Å; D188-R208 IonicContact OD1-NH2 2.88Å; D188-R208 IonicContact OD2-CZ 3.76Å; D188-R208 VanDerWaalsContact OD2-CZ 3.3Å; D188-R208 IonicContact OD2-NH1 3.44Å; D188-R208 PolarHBondContact OD2-NH1 2.86Å; D188-R208 IonicContact OD2-NH2 3.36Å; D188-R208 PolarHBondContact OD2-NH2 3.01Å
189	Y	92.3	Very high	86	Confident	5 Å²	5	60.1 Å²	60.1	2%	0.02	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.6	174.8	-60	-86.2	0	0	0	110.1	N119 P168 F169 D170 H172 I187 L205	N119-Y189 HydrophobicContact CB-CD1 4.44Å; N119-Y189 HydrophobicContact CB-CE1 3.91Å; P168-Y189 CarbonylContact C-O 3.59Å; P168-Y189 WeakPolarHBondContact CA-O 3.42Å; P168-Y189 WeakPolarHBondContact CB-O 3.37Å; F169-Y189 VanDerWaalsContact CD1-O 3.3Å; F169-Y189 WeakPolarHBondContact CD1-O 3.33Å; F169-Y189 HydrophobicContact CZ-CG 4.5Å; F169-Y189 PolarHBondContact N-O 2.79Å; D170-Y189 HydrophobicContact CB-CD2 4.07Å; D170-Y189 PolarHBondContact O-N 2.54Å; H172-Y189 HydrophobicContact CB-CE2 4.4Å; H172-Y189 AromaticContact ND1-CE2 3.74Å; I187-Y189 HydrophobicContact CB-CE2 4.45Å; I187-Y189 HydrophobicContact CG2-CD2 4.28Å; I187-Y189 HydrophobicContact CG2-CE1 4.08Å; I187-Y189 HydrophobicContact CG2-CE2 3.65Å; Y189-L205 HydrophobicContact CD1-CD1 4.17Å; Y189-L205 HydrophobicContact CD1-CD2 4.33Å; Y189-L205 HydrophobicContact CD1-CG 3.81Å; Y189-L205 HydrophobicContact CE1-CD1 4.41Å; Y189-L205 HydrophobicContact CE1-CD2 3.83Å; Y189-L205 HydrophobicContact CE1-CG 3.84Å
190	Y	91.9	Very high	84.6	Confident	27 Å²	27	59 Å²	59	11%	0.106	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.3	177.9	-59.2	-96.5	0	0	0	110.4	E166 P168 F169 D188 G192 L204 D206	E166-Y190 WeakPolarHBondContact O-CE1 3.39Å; P168-Y190 HydrophobicContact CB-CD1 4.11Å; P168-Y190 HydrophobicContact CB-CD2 4.45Å; P168-Y190 HydrophobicContact CB-CE1 3.88Å; P168-Y190 HydrophobicContact CB-CE2 4.21Å; P168-Y190 HydrophobicContact CB-CG 4.39Å; P168-Y190 HydrophobicContact CG-CE1 4.2Å; F169-Y190 WeakPolarHBondContact CE1-O 3.46Å; D188-Y190 HydrophobicContact CB-CD2 4.27Å; D188-Y190 HydrophobicContact CB-CE2 3.43Å; D188-Y190 VanDerWaalsContact CB-CE2 3.43Å; D188-Y190 PolarHBondContact OD2-OH 3.17Å; Y190-G192 PolarHBondContact O-N 2.78Å; Y190-L204 PolarHBondContact N-O 2.89Å; Y190-L204 PolarHBondContact O-N 2.92Å; Y190-D206 HydrophobicContact CE2-CB 3.86Å
191	D	87.7	Confident	83.4	Confident	90 Å²	90	58.4 Å²	58.4	48%	0.481	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.2	171.7	-166.6	-10.9	0	0	0	109.1	G193	D191-G193 VanDerWaalsContact C-N 3.33Å; D191-G193 WeakPolarHBondContact OD1-CA 3.49Å; D191-G193 PolarHBondContact OD1-N 2.83Å
192	G	82.2	Confident	82.7	Confident	32 Å²	32	57.5 Å²	57.5	33%	0.33	33%	0.334	S	S	.	.			trans	-87.4	-3.9	175	0	0	0	0	0	113.3	Y190 K194 F202	Y190-G192 PolarHBondContact O-N 2.78Å; G192-K194 PolarHBondContact O-N 3.31Å; G192-F202 WeakPolarHBondContact CA-O 3.5Å; G192-F202 PolarHBondContact N-O 2.99Å
193	G	81.1	Confident	82.1	Confident	50 Å²	50	52.3 Å²	52.3	52%	0.515	31%	0.311	S	S	.	.			trans	73	-103.6	-178.7	0	0	0	0	0	111.7	D191	D191-G193 VanDerWaalsContact C-N 3.33Å; D191-G193 WeakPolarHBondContact OD1-CA 3.49Å; D191-G193 PolarHBondContact OD1-N 2.83Å
194	K	75.2	Confident	81.7	Confident	196 Å²	196	57.3 Å²	57.3	85%	0.852	34%	0.337	S	S	*	.	S	Bend	trans	-72.7	134.1	-175.7	-68.1	-175.4	-177.8	178.8	0	110.2	G192 D196	G192-K194 PolarHBondContact O-N 3.31Å; K194-D196 PolarHBondContact O-N 3.05Å
195	V	73.8	Confident	81.4	Confident	88 Å²	88	57.3 Å²	57.3	53%	0.533	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-56.6	123	170.7	-177.1	0	0	0	0	108.7	P197 Q201 F202	V195-P197 WeakPolarHBondContact O-CD 3.5Å; V195-Q201 CarbonylContact C-O 3.38Å; V195-Q201 WeakPolarHBondContact CA-O 3.29Å; V195-F202 HydrophobicContact CG2-CB 4.06Å
196	D	69.9	Low	81.2	Confident	59 Å²	59	58.5 Å²	58.5	32%	0.316	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59	116.6	169.2	175.9	-12.2	0	0	0	108.2	K194 V198 T199 G200 Q201	K194-D196 PolarHBondContact O-N 3.05Å; D196-V198 PolarHBondContact O-N 3.49Å; D196-V198 WeakPolarHBondContact OD1-CB 3.49Å; D196-V198 PolarHBondContact OD1-N 2.98Å; D196-T199 VanDerWaalsContact CB-OG1 3.27Å; D196-T199 WeakPolarHBondContact CB-OG1 3.43Å; D196-T199 PolarHBondContact O-N 3.3Å; D196-T199 PolarHBondContact OD1-N 3.09Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.22Å; D196-T199 PolarHBondContact OD2-OG1 3.23Å; D196-G200 WeakPolarHBondContact O-CA 3.4Å; D196-G200 PolarHBondContact O-N 2.89Å; D196-Q201 WeakPolarHBondContact CB-O 3.15Å; D196-Q201 PolarHBondContact N-O 2.87Å
197	P	65.9	Low	81.3	Confident	128 Å²	128	58.5 Å²	58.5	83%	0.831	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.7	-176.2	26.4	-33.5	0	0	0	113.2	V195	V195-P197 WeakPolarHBondContact O-CD 3.5Å
198	V	64.4	Low	81.3	Confident	132 Å²	132	58.9 Å²	58.9	80%	0.8	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-44.5	-178.8	-176.8	0	0	0	0	110.8	D196	D196-V198 PolarHBondContact O-N 3.49Å; D196-V198 WeakPolarHBondContact OD1-CB 3.49Å; D196-V198 PolarHBondContact OD1-N 2.98Å
199	T	65.7	Low	81.4	Confident	69 Å²	69	58.9 Å²	58.9	42%	0.423	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-15.7	-174.9	64.2	0	0	0	0	113.8	D196 Q201	D196-T199 VanDerWaalsContact CB-OG1 3.27Å; D196-T199 WeakPolarHBondContact CB-OG1 3.43Å; D196-T199 PolarHBondContact O-N 3.3Å; D196-T199 PolarHBondContact OD1-N 3.09Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.22Å; D196-T199 PolarHBondContact OD2-OG1 3.23Å; T199-Q201 PolarHBondContact O-N 3.29Å; T199-Q201 VanDerWaalsContact OG1-CB 3.31Å; T199-Q201 WeakPolarHBondContact OG1-CB 3.45Å; T199-Q201 WeakPolarHBondContact OG1-CG 3.42Å; T199-Q201 PolarHBondContact OG1-N 3.19Å
200	G	64.7	Low	81.6	Confident	48 Å²	48	59 Å²	59	50%	0.495	35%	0.348	S	S	.	.			trans	68.9	10.6	-169.9	0	0	0	0	0	113.6	D196	D196-G200 WeakPolarHBondContact O-CA 3.4Å; D196-G200 PolarHBondContact O-N 2.89Å
201	Q	68.4	Low	81.6	Confident	54 Å²	54	63 Å²	63	25%	0.252	37%	0.368	S	S	.	.			trans	-87	139.1	-176.6	-64.5	170.4	5	0	0	110.9	Q122 V195 D196 T199	Q122-Q201 VanDerWaalsContact CD-CD 3.41Å; V195-Q201 CarbonylContact C-O 3.38Å; V195-Q201 WeakPolarHBondContact CA-O 3.29Å; D196-Q201 WeakPolarHBondContact CB-O 3.15Å; D196-Q201 PolarHBondContact N-O 2.87Å; T199-Q201 PolarHBondContact O-N 3.29Å; T199-Q201 VanDerWaalsContact OG1-CB 3.31Å; T199-Q201 WeakPolarHBondContact OG1-CB 3.45Å; T199-Q201 WeakPolarHBondContact OG1-CG 3.42Å; T199-Q201 PolarHBondContact OG1-N 3.19Å
202	F	79.3	Confident	81.9	Confident	62 Å²	62	63.8 Å²	63.8	27%	0.272	37%	0.373	S	S	.	.			trans	-126.5	6.4	172.6	64.6	-88.5	0	0	0	111.8	I115 G192 V195	I115-F202 HydrophobicContact CB-CE1 4.28Å; I115-F202 HydrophobicContact CB-CZ 4.34Å; I115-F202 HydrophobicContact CD1-CE1 3.52Å; I115-F202 HydrophobicContact CD1-CZ 3.71Å; I115-F202 HydrophobicContact CG1-CE1 3.69Å; I115-F202 HydrophobicContact CG1-CZ 4.11Å; I115-F202 HydrophobicContact CG2-CE1 3.61Å; I115-F202 HydrophobicContact CG2-CE2 4.46Å; I115-F202 HydrophobicContact CG2-CZ 3.37Å; G192-F202 WeakPolarHBondContact CA-O 3.5Å; G192-F202 PolarHBondContact N-O 2.99Å; V195-F202 HydrophobicContact CG2-CB 4.06Å
203	T	84.2	Confident	82.5	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.049	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.8	-179	49.1	0	0	0	0	109.2	N119 F169	N119-T203 PolarHBondContact OD1-OG1 3.2Å; F169-T203 HydrophobicContact CE1-CG2 4.34Å; F169-T203 HydrophobicContact CZ-CG2 4.02Å
204	L	88.6	Confident	83.2	Confident	106 Å²	106	69.2 Å²	69.2	56%	0.555	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.9	171.1	-65.1	172.4	0	0	0	108.4	Y190	Y190-L204 PolarHBondContact N-O 2.89Å; Y190-L204 PolarHBondContact O-N 2.92Å
205	L	91.7	Very high	84.1	Confident	40 Å²	40	62.6 Å²	62.6	21%	0.209	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.6	-177.4	-77.9	74	0	0	0	110.4	Q122 A123 Y189 V207	Q122-L205 HydrophobicContact CB-CD2 3.83Å; A123-L205 HydrophobicContact CB-CD2 3.87Å; Y189-L205 HydrophobicContact CD1-CD1 4.17Å; Y189-L205 HydrophobicContact CD1-CD2 4.33Å; Y189-L205 HydrophobicContact CD1-CG 3.81Å; Y189-L205 HydrophobicContact CE1-CD1 4.41Å; Y189-L205 HydrophobicContact CE1-CD2 3.83Å; Y189-L205 HydrophobicContact CE1-CG 3.84Å; L205-V207 HydrophobicContact CB-CG2 4.3Å; L205-V207 HydrophobicContact CD2-CG2 4.48Å
206	D	93.2	Very high	85.1	Confident	26 Å²	26	58.6 Å²	58.6	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	91.4	166.7	-172.5	-20.8	0	0	0	108.8	R156 R160 D188 Y190 R208	R156-D206 IonicContact NE-OD2 2.77Å; R156-D206 PolarHBondContact NE-OD2 3.33Å; R156-D206 IonicContact NH2-OD2 3.98Å; R160-D206 IonicContact CZ-OD2 3.02Å; R160-D206 IonicContact NH1-OD2 3.8Å; R160-D206 PolarHBondContact NH1-OD2 3.16Å; R160-D206 IonicContact NH2-OD2 3.44Å; D188-D206 HydrophobicContact CB-CB 4.31Å; D188-D206 PolarHBondContact N-O 3.26Å; D188-D206 PolarHBondContact O-N 2.84Å; Y190-D206 HydrophobicContact CE2-CB 3.86Å; D206-R208 PolarHBondContact O-NH1 3.5Å; D206-R208 WeakPolarHBondContact OD1-CD 3.29Å; D206-R208 IonicContact OD1-CZ 3.77Å; D206-R208 IonicContact OD1-NE 3.69Å; D206-R208 IonicContact OD1-NH1 3.47Å; D206-R208 PolarHBondContact OD1-NH1 3.11Å; D206-R208 IonicContact OD2-NH1 2.7Å; D206-R208 PolarHBondContact OD2-NH1 2.73Å
207	V	96	Very high	86.4	Confident	9 Å²	9	59 Å²	59	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.7	179.2	175.6	0	0	0	0	109.6	A123 E126 I127 W130 Y185 I187 L205	A123-V207 HydrophobicContact CB-CG2 4.24Å; E126-V207 HydrophobicContact CB-CB 3.67Å; E126-V207 HydrophobicContact CB-CG1 3.82Å; E126-V207 HydrophobicContact CB-CG2 3.8Å; E126-V207 HydrophobicContact CG-CB 4.35Å; E126-V207 HydrophobicContact CG-CG2 4.14Å; I127-V207 HydrophobicContact CG1-CG1 3.67Å; W130-V207 PolarHBondContact NE1-O 2.93Å; Y185-V207 HydrophobicContact CD1-CG1 4.33Å; I187-V207 HydrophobicContact CB-CG2 4.46Å; I187-V207 HydrophobicContact CG1-CG1 4.37Å; I187-V207 HydrophobicContact CG1-CG2 4.2Å; I187-V207 HydrophobicContact CG2-CG2 3.83Å; L205-V207 HydrophobicContact CB-CG2 4.3Å; L205-V207 HydrophobicContact CD2-CG2 4.48Å
208	R	96.1	Very high	87.9	Confident	8 Å²	8	60.1 Å²	60.1	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	153.3	-177.1	59.9	-164.3	-178.6	-84.9	-1	113.5	W130 T154 Y185 V186 D188 D206 R220	W130-R208 HydrophobicContact CZ2-CB 4.09Å; T154-R208 VanDerWaalsContact CG2-NH2 3.34Å; T154-R208 PolarHBondContact OG1-NH2 2.75Å; Y185-R208 WeakPolarHBondContact CA-O 3.42Å; Y185-R208 VanDerWaalsContact CD1-C 3.48Å; V186-R208 PolarHBondContact N-O 3.14Å; V186-R208 PolarHBondContact O-N 2.95Å; D188-R208 IonicContact OD1-NH2 2.88Å; D188-R208 IonicContact OD2-CZ 3.76Å; D188-R208 VanDerWaalsContact OD2-CZ 3.3Å; D188-R208 IonicContact OD2-NH1 3.44Å; D188-R208 PolarHBondContact OD2-NH1 2.86Å; D188-R208 IonicContact OD2-NH2 3.36Å; D188-R208 PolarHBondContact OD2-NH2 3.01Å; D206-R208 PolarHBondContact O-NH1 3.5Å; D206-R208 WeakPolarHBondContact OD1-CD 3.29Å; D206-R208 IonicContact OD1-CZ 3.77Å; D206-R208 IonicContact OD1-NE 3.69Å; D206-R208 IonicContact OD1-NH1 3.47Å; D206-R208 PolarHBondContact OD1-NH1 3.11Å; D206-R208 IonicContact OD2-NH1 2.7Å; D206-R208 PolarHBondContact OD2-NH1 2.73Å; R208-R220 VanDerWaalsContact CD-NH1 3.35Å
209	P	97.4	Very high	89.4	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	139.5	168	-24.3	33.8	0	0	0	111.8	W130 Y185 N216 D219 R220	W130-P209 VanDerWaalsContact CD2-CD 3.46Å; W130-P209 HydrophobicContact CD2-CG 3.99Å; W130-P209 VanDerWaalsContact CE3-CD 3.45Å; W130-P209 HydrophobicContact CE3-CG 3.62Å; W130-P209 HydrophobicContact CG-CG 4.48Å; W130-P209 HydrophobicContact CZ3-CG 3.98Å; Y185-P209 HydrophobicContact CD1-CG 4.38Å; Y185-P209 HydrophobicContact CE1-CB 4.44Å; Y185-P209 HydrophobicContact CE1-CG 3.74Å; P209-N216 HydrophobicContact CB-CB 3.59Å; P209-D219 HydrophobicContact CG-CB 4.5Å; P209-R220 WeakPolarHBondContact O-CD 3.32Å; P209-R220 PolarHBondContact O-NH1 3.4Å
210	A	95.6	Very high	90.9	Very high	7 Å²	7	52.7 Å²	52.7	6%	0.058	27%	0.272	C	S	.	.			trans	-70.4	143.4	174.6	0	0	0	0	0	110.7	H184 V186 N212 N216	H184-A210 HydrophobicContact CB-CB 3.91Å; H184-A210 VanDerWaalsContact ND1-CB 3.25Å; H184-A210 WeakPolarHBondContact ND1-CB 3.25Å; H184-A210 VanDerWaalsContact O-CB 3.32Å; H184-A210 WeakPolarHBondContact O-CB 3.45Å; H184-A210 PolarHBondContact O-N 3.25Å; V186-A210 HydrophobicContact CG2-CB 3.86Å; A210-N212 WeakPolarHBondContact CB-OD1 3.47Å; A210-N212 PolarHBondContact O-N 2.85Å; A210-N212 PolarHBondContact O-OD1 3.43Å; A210-N216 WeakPolarHBondContact O-CB 3.39Å; A210-N216 PolarHBondContact O-ND2 2.85Å
211	M	93.6	Very high	92.4	Very high	110 Å²	110	54.7 Å²	54.7	54%	0.542	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	31.3	-177.3	-59.6	-178.6	-61.3	0	0	113.3	I217	M211-I217 HydrophobicContact CB-CD1 4.49Å; M211-I217 HydrophobicContact CB-CG1 4.08Å; M211-I217 HydrophobicContact CG-CG1 4.38Å
212	N	92.7	Very high	93.7	Very high	107 Å²	107	53.9 Å²	53.9	57%	0.572	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	1.6	179.8	63.9	-19	0	0	0	113.2	H184 A210	H184-N212 PolarHBondContact ND1-ND2 3.42Å; A210-N212 WeakPolarHBondContact CB-OD1 3.47Å; A210-N212 PolarHBondContact O-N 2.85Å; A210-N212 PolarHBondContact O-OD1 3.43Å
213	S	94.7	Very high	94.4	Very high	47 Å²	47	51.9 Å²	51.9	33%	0.329	26%	0.263	S	S	.	.	S	Bend	trans	-139.9	144.4	177.2	173.2	0	0	0	0	110.3	Q215 N216 I217	S213-Q215 VanDerWaalsContact C-N 3.28Å; S213-Q215 PolarHBondContact O-N 3.26Å; S213-Q215 PolarHBondContact OG-N 3.4Å; S213-N216 PolarHBondContact O-N 3.22Å; S213-I217 WeakPolarHBondContact O-CG1 3.47Å; S213-I217 PolarHBondContact O-N 3.14Å; S213-I217 VanDerWaalsContact O-N 3.09Å
214	L	95.5	Very high	94.8	Very high	149 Å²	149	55.9 Å²	55.9	78%	0.78	29%	0.287	S	S	*	.	H	α-helix	trans	-60.5	-38.5	177.3	-67.9	177.2	0	0	0	111.9	N216 I217 W218	L214-N216 VanDerWaalsContact C-N 3.35Å; L214-N216 PolarHBondContact O-N 3.02Å; L214-I217 PolarHBondContact O-N 3.36Å; L214-W218 WeakPolarHBondContact O-CB 3.2Å; L214-W218 PolarHBondContact O-N 3.43Å
215	Q	94.3	Very high	95.1	Very high	58 Å²	58	58 Å²	58	27%	0.271	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-46.2	176.6	-172.4	63.8	52.3	0	0	111	H134 S213 I217 W218 D219	H134-Q215 PolarHBondContact CE1-NE2 3.06Å; S213-Q215 VanDerWaalsContact C-N 3.28Å; S213-Q215 PolarHBondContact O-N 3.26Å; S213-Q215 PolarHBondContact OG-N 3.4Å; Q215-I217 VanDerWaalsContact C-N 3.3Å; Q215-I217 PolarHBondContact O-N 2.88Å; Q215-W218 WeakPolarHBondContact O-CB 3.47Å; Q215-W218 PolarHBondContact O-N 2.74Å; Q215-W218 VanDerWaalsContact O-N 3.13Å; Q215-D219 PolarHBondContact NE2-OD1 3.24Å; Q215-D219 PolarHBondContact O-N 2.87Å
216	N	96.2	Very high	95.1	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-37.3	-179.9	-69.7	8.6	0	0	0	112	H184 P209 A210 S213 L214 R220	H184-N216 PolarHBondContact O-ND2 3.46Å; P209-N216 HydrophobicContact CB-CB 3.59Å; A210-N216 WeakPolarHBondContact O-CB 3.39Å; A210-N216 PolarHBondContact O-ND2 2.85Å; S213-N216 PolarHBondContact O-N 3.22Å; L214-N216 VanDerWaalsContact C-N 3.35Å; L214-N216 PolarHBondContact O-N 3.02Å; N216-R220 WeakPolarHBondContact O-CD 3.03Å; N216-R220 WeakPolarHBondContact O-CG 3.48Å; N216-R220 PolarHBondContact O-N 2.86Å
217	I	96.1	Very high	95	Very high	67 Å²	67	63.6 Å²	63.6	34%	0.344	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-44.4	174.5	-66.2	167	0	0	0	109.8	M211 S213 L214 Q215 R220 I221	M211-I217 HydrophobicContact CB-CD1 4.49Å; M211-I217 HydrophobicContact CB-CG1 4.08Å; M211-I217 HydrophobicContact CG-CG1 4.38Å; S213-I217 WeakPolarHBondContact O-CG1 3.47Å; S213-I217 PolarHBondContact O-N 3.14Å; S213-I217 VanDerWaalsContact O-N 3.09Å; L214-I217 PolarHBondContact O-N 3.36Å; Q215-I217 VanDerWaalsContact C-N 3.3Å; Q215-I217 PolarHBondContact O-N 2.88Å; I217-R220 WeakPolarHBondContact O-CB 2.98Å; I217-R220 PolarHBondContact O-N 2.75Å; I217-I221 HydrophobicContact CG2-CD1 4.17Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 2.94Å; I217-I221 VanDerWaalsContact O-N 3.09Å
218	W	97.1	Very high	94.7	Very high	151 Å²	151	68 Å²	68	57%	0.572	33%	0.328	S	S	*	.	H	α-helix	trans	-61	-47.6	177.1	-179.2	-109.1	0	0	0	112.4	L214 Q215 R220 I221 V222	L214-W218 WeakPolarHBondContact O-CB 3.2Å; L214-W218 PolarHBondContact O-N 3.43Å; Q215-W218 WeakPolarHBondContact O-CB 3.47Å; Q215-W218 PolarHBondContact O-N 2.74Å; Q215-W218 VanDerWaalsContact O-N 3.13Å; W218-R220 PolarHBondContact O-N 3.42Å; W218-I221 HydrophobicContact CE3-CD1 4.38Å; W218-I221 WeakPolarHBondContact O-CA 3.47Å; W218-I221 WeakPolarHBondContact O-CB 3.42Å; W218-I221 PolarHBondContact O-N 2.82Å; W218-V222 HydrophobicContact CD2-CG2 4.23Å; W218-V222 HydrophobicContact CG-CG2 4.44Å; W218-V222 HydrophobicContact CZ2-CG2 4.02Å; W218-V222 WeakPolarHBondContact O-CG2 3.46Å; W218-V222 PolarHBondContact O-N 2.91Å
219	D	96.7	Very high	94.4	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-55.7	-41.6	177.4	-65.1	-9.7	0	0	0	110.8	W130 L133 H134 P209 Q215 I221 V222 V223	W130-D219 HydrophobicContact CE3-CB 4.47Å; W130-D219 HydrophobicContact CZ3-CB 4.39Å; L133-D219 HydrophobicContact CD1-CB 4.08Å; H134-D219 IonicContact CD2-OD2 3.66Å; H134-D219 IonicContact CE1-OD1 2.62Å; H134-D219 PolarHBondContact CE1-OD1 2.79Å; H134-D219 VanDerWaalsContact CE1-OD1 3.24Å; H134-D219 IonicContact CE1-OD2 3.3Å; H134-D219 IonicContact NE2-OD1 3.6Å; H134-D219 PolarHBondContact NE2-OD1 3.06Å; H134-D219 IonicContact NE2-OD2 3.03Å; H134-D219 PolarHBondContact NE2-OD2 3.35Å; P209-D219 HydrophobicContact CG-CB 4.5Å; Q215-D219 PolarHBondContact NE2-OD1 3.24Å; Q215-D219 PolarHBondContact O-N 2.87Å; D219-I221 PolarHBondContact O-N 3.13Å; D219-V222 PolarHBondContact O-N 3.37Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.3Å
220	R	96.1	Very high	94	Very high	42 Å²	42	73.7 Å²	73.7	16%	0.158	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-40	176.2	-69	168.9	71.7	120.3	5.3	112.5	W130 R208 P209 N216 I217 W218 T224	W130-R220 HydrophobicContact CH2-CB 4.46Å; W130-R220 HydrophobicContact CH2-CG 3.99Å; W130-R220 HydrophobicContact CZ3-CG 4.1Å; R208-R220 VanDerWaalsContact CD-NH1 3.35Å; P209-R220 WeakPolarHBondContact O-CD 3.32Å; P209-R220 PolarHBondContact O-NH1 3.4Å; N216-R220 WeakPolarHBondContact O-CD 3.03Å; N216-R220 WeakPolarHBondContact O-CG 3.48Å; N216-R220 PolarHBondContact O-N 2.86Å; I217-R220 WeakPolarHBondContact O-CB 2.98Å; I217-R220 PolarHBondContact O-N 2.75Å; W218-R220 PolarHBondContact O-N 3.42Å; R220-T224 VanDerWaalsContact O-CB 3.23Å; R220-T224 WeakPolarHBondContact O-CB 3.33Å; R220-T224 PolarHBondContact O-N 3.09Å; R220-T224 PolarHBondContact O-OG1 3.4Å
221	I	96.6	Very high	93.6	Very high	91 Å²	91	80.3 Å²	80.3	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-46.9	175.4	-66.9	165.5	0	0	0	109.5	I217 W218 D219 T224 Y225	I217-I221 HydrophobicContact CG2-CD1 4.17Å; I217-I221 WeakPolarHBondContact O-CG1 3.45Å; I217-I221 PolarHBondContact O-N 2.94Å; I217-I221 VanDerWaalsContact O-N 3.09Å; W218-I221 HydrophobicContact CE3-CD1 4.38Å; W218-I221 WeakPolarHBondContact O-CA 3.47Å; W218-I221 WeakPolarHBondContact O-CB 3.42Å; W218-I221 PolarHBondContact O-N 2.82Å; D219-I221 PolarHBondContact O-N 3.13Å; I221-T224 PolarHBondContact O-N 3.47Å; I221-Y225 WeakPolarHBondContact O-CB 3.46Å; I221-Y225 PolarHBondContact O-N 2.98Å
222	V	95.7	Very high	93.3	Very high	37 Å²	37	79.8 Å²	79.8	22%	0.224	38%	0.384	C	S	.	.	H	α-helix	trans	-59.4	-51.7	178.6	171.8	0	0	0	0	111.3	L133 W218 D219 T224 Y225 I226	L133-V222 HydrophobicContact CD2-CG1 4.12Å; W218-V222 HydrophobicContact CD2-CG2 4.23Å; W218-V222 HydrophobicContact CG-CG2 4.44Å; W218-V222 HydrophobicContact CZ2-CG2 4.02Å; W218-V222 WeakPolarHBondContact O-CG2 3.46Å; W218-V222 PolarHBondContact O-N 2.91Å; D219-V222 PolarHBondContact O-N 3.37Å; V222-T224 VanDerWaalsContact C-N 3.32Å; V222-T224 PolarHBondContact O-N 3.23Å; V222-Y225 PolarHBondContact O-N 3.23Å; V222-I226 HydrophobicContact CG1-CD1 3.76Å; V222-I226 HydrophobicContact CG1-CG1 4.44Å; V222-I226 WeakPolarHBondContact O-CB 3.42Å; V222-I226 VanDerWaalsContact O-CG1 3.29Å; V222-I226 WeakPolarHBondContact O-CG1 3.46Å; V222-I226 PolarHBondContact O-N 2.99Å
223	V	94.3	Very high	93	Very high	20 Å²	20	79.2 Å²	79.2	12%	0.121	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-38.5	178.7	174.7	0	0	0	0	111.6	W130 L133 D219 Y225 I226 R227	W130-V223 HydrophobicContact CD2-CG2 4.38Å; W130-V223 HydrophobicContact CE3-CB 4.35Å; W130-V223 HydrophobicContact CE3-CG2 3.6Å; W130-V223 HydrophobicContact CH2-CB 3.67Å; W130-V223 HydrophobicContact CH2-CG1 3.84Å; W130-V223 HydrophobicContact CH2-CG2 3.86Å; W130-V223 HydrophobicContact CZ2-CB 4.48Å; W130-V223 HydrophobicContact CZ2-CG1 4.18Å; W130-V223 HydrophobicContact CZ3-CB 3.61Å; W130-V223 HydrophobicContact CZ3-CG1 4.17Å; W130-V223 HydrophobicContact CZ3-CG2 3.3Å; L133-V223 HydrophobicContact CD1-CG2 3.72Å; D219-V223 WeakPolarHBondContact O-CG2 3.46Å; D219-V223 PolarHBondContact O-N 3.3Å; V223-Y225 VanDerWaalsContact C-N 3.33Å; V223-Y225 PolarHBondContact O-N 3.23Å; V223-I226 PolarHBondContact O-N 2.05Å; V223-R227 HydrophobicContact CG1-CG 4.35Å; V223-R227 WeakPolarHBondContact O-CB 3.02Å; V223-R227 WeakPolarHBondContact O-CG 3.43Å; V223-R227 PolarHBondContact O-N 3.47Å
224	T	93.5	Very high	92.5	Very high	91 Å²	91	79.8 Å²	79.8	56%	0.558	39%	0.393	S	S	*	.	H	α-helix	trans	-63	-42.7	176.1	-57.6	0	0	0	0	110.9	R220 I221 V222 R227 F228	R220-T224 VanDerWaalsContact O-CB 3.23Å; R220-T224 WeakPolarHBondContact O-CB 3.33Å; R220-T224 PolarHBondContact O-N 3.09Å; R220-T224 PolarHBondContact O-OG1 3.4Å; I221-T224 PolarHBondContact O-N 3.47Å; V222-T224 VanDerWaalsContact C-N 3.32Å; V222-T224 PolarHBondContact O-N 3.23Å; T224-R227 PolarHBondContact O-N 3.04Å; T224-F228 WeakPolarHBondContact O-CB 3.42Å; T224-F228 PolarHBondContact O-N 2.82Å
225	Y	94	Very high	91.8	Very high	150 Å²	150	78.2 Å²	78.2	59%	0.588	38%	0.381	S	S	*	.	H	α-helix	trans	-64.8	-42.9	175.6	175.8	-103.5	0	0	0	112.1	I221 V222 V223 F228 K229	I221-Y225 WeakPolarHBondContact O-CB 3.46Å; I221-Y225 PolarHBondContact O-N 2.98Å; V222-Y225 PolarHBondContact O-N 3.23Å; V223-Y225 VanDerWaalsContact C-N 3.33Å; V223-Y225 PolarHBondContact O-N 3.23Å; Y225-F228 PolarHBondContact O-N 3.06Å; Y225-K229 HydrophobicContact CE1-CD 4.47Å; Y225-K229 VanDerWaalsContact O-CB 3.28Å; Y225-K229 WeakPolarHBondContact O-CB 3.45Å; Y225-K229 PolarHBondContact O-N 2.62Å
226	I	92.2	Very high	91.1	Very high	65 Å²	65	82.1 Å²	82.1	33%	0.333	40%	0.399	S	S	.	.	H	α-helix	trans	-58.3	-50.2	174.8	-73.8	170.2	0	0	0	110.4	L133 V222 V223 F228 K229 Y230	L133-I226 HydrophobicContact CD2-CD1 4.42Å; V222-I226 HydrophobicContact CG1-CD1 3.76Å; V222-I226 HydrophobicContact CG1-CG1 4.44Å; V222-I226 WeakPolarHBondContact O-CB 3.42Å; V222-I226 VanDerWaalsContact O-CG1 3.29Å; V222-I226 WeakPolarHBondContact O-CG1 3.46Å; V222-I226 PolarHBondContact O-N 2.99Å; V223-I226 PolarHBondContact O-N 2.05Å; I226-F228 PolarHBondContact O-N 3.29Å; I226-K229 PolarHBondContact O-N 3.19Å; I226-Y230 HydrophobicContact CG2-CD2 3.71Å; I226-Y230 HydrophobicContact CG2-CE2 3.88Å; I226-Y230 WeakPolarHBondContact O-CD2 3.46Å; I226-Y230 PolarHBondContact O-N 2.85Å
227	R	90.1	Very high	90.1	Very high	119 Å²	119	86.1 Å²	86.1	45%	0.449	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-47.4	177.7	-72.6	178.8	-176.7	179.3	-0.1	111.4	V223 T224 K229 Y230 E231	V223-R227 HydrophobicContact CG1-CG 4.35Å; V223-R227 WeakPolarHBondContact O-CB 3.02Å; V223-R227 WeakPolarHBondContact O-CG 3.43Å; V223-R227 PolarHBondContact O-N 3.47Å; T224-R227 PolarHBondContact O-N 3.04Å; R227-K229 VanDerWaalsContact C-N 3.32Å; R227-K229 PolarHBondContact O-N 3.24Å; R227-Y230 PolarHBondContact O-N 2.76Å; R227-E231 WeakPolarHBondContact O-CA 3.42Å; R227-E231 WeakPolarHBondContact O-CB 3.03Å; R227-E231 PolarHBondContact O-N 3.13Å
228	F	90.6	Very high	89	Confident	102 Å²	102	87.7 Å²	87.7	45%	0.447	44%	0.439	S	S	.	.	I	π-helix	trans	-58	-44.8	176.2	179	-107.9	0	0	0	112	T224 Y225 I226 T232 L233	T224-F228 WeakPolarHBondContact O-CB 3.42Å; T224-F228 PolarHBondContact O-N 2.82Å; Y225-F228 PolarHBondContact O-N 3.06Å; I226-F228 PolarHBondContact O-N 3.29Å; F228-T232 HydrophobicContact CD2-CG2 3.94Å; F228-T232 HydrophobicContact CE2-CG2 3.75Å; F228-T232 WeakPolarHBondContact O-CA 3.13Å; F228-T232 WeakPolarHBondContact O-CB 3.47Å; F228-T232 PolarHBondContact O-N 3.43Å; F228-T232 VanDerWaalsContact O-N 3.11Å; F228-L233 HydrophobicContact CD1-CD1 4.06Å; F228-L233 HydrophobicContact CD1-CG 4.3Å; F228-L233 HydrophobicContact CE1-CD1 3.62Å; F228-L233 HydrophobicContact CE1-CD2 4.25Å; F228-L233 HydrophobicContact CE1-CG 3.89Å; F228-L233 HydrophobicContact CZ-CD1 4.24Å; F228-L233 HydrophobicContact CZ-CD2 4.03Å; F228-L233 HydrophobicContact CZ-CG 4.08Å; F228-L233 PolarHBondContact O-N 3.42Å
229	K	89.6	Confident	87.7	Confident	60 Å²	60	90.5 Å²	90.5	26%	0.261	45%	0.45	S	S	.	.	I	π-helix	trans	-61.7	-50	178.7	-175.4	-174.8	175.4	-166.8	0	112	Y225 I226 R227 L233 G234 F235	Y225-K229 HydrophobicContact CE1-CD 4.47Å; Y225-K229 VanDerWaalsContact O-CB 3.28Å; Y225-K229 WeakPolarHBondContact O-CB 3.45Å; Y225-K229 PolarHBondContact O-N 2.62Å; I226-K229 PolarHBondContact O-N 3.19Å; R227-K229 VanDerWaalsContact C-N 3.32Å; R227-K229 PolarHBondContact O-N 3.24Å; K229-L233 WeakPolarHBondContact O-CB 3.35Å; K229-G234 PolarHBondContact O-N 3.45Å; K229-F235 HydrophobicContact CG-CB 4.11Å; K229-F235 HydrophobicContact CG-CD2 3.61Å; K229-F235 HydrophobicContact CG-CE2 4.31Å; K229-F235 HydrophobicContact CG-CG 4.01Å; K229-F235 WeakPolarHBondContact O-CD2 3.4Å; K229-F235 PolarHBondContact O-N 3.32Å
230	Y	89.3	Confident	86	Confident	67 Å²	67	98.1 Å²	98.1	26%	0.263	49%	0.49	S	S	.	.	I	π-helix	trans	-88.6	-37.6	-172.3	-61.9	-64.3	0	0	0	113.3	I226 R227 G234 F235 E236 P237	I226-Y230 HydrophobicContact CG2-CD2 3.71Å; I226-Y230 HydrophobicContact CG2-CE2 3.88Å; I226-Y230 WeakPolarHBondContact O-CD2 3.46Å; I226-Y230 PolarHBondContact O-N 2.85Å; R227-Y230 PolarHBondContact O-N 2.76Å; Y230-G234 WeakPolarHBondContact O-CA 3.41Å; Y230-F235 HydrophobicContact CD1-CB 3.88Å; Y230-F235 VanDerWaalsContact CD1-O 3.32Å; Y230-F235 WeakPolarHBondContact CD1-O 3.23Å; Y230-F235 HydrophobicContact CE1-CB 4.07Å; Y230-E236 WeakPolarHBondContact CE1-O 3.41Å; Y230-P237 HydrophobicContact CE1-CB 4.49Å
231	E	87.5	Confident	83.7	Confident	147 Å²	147	104 Å²	104	69%	0.687	52%	0.524	S	S	*	.	I	π-helix	trans	-87.7	-38.8	-176.8	-57.9	171.9	-172.4	0	0	112.4	R227	R227-E231 WeakPolarHBondContact O-CA 3.42Å; R227-E231 WeakPolarHBondContact O-CB 3.03Å; R227-E231 PolarHBondContact O-N 3.13Å
232	T	85.5	Confident	81.6	Confident	98 Å²	98	104.6 Å²	104.6	60%	0.601	54%	0.536	S	S	*	.	I	π-helix	trans	-93.6	-44.7	-175.9	-47.8	0	0	0	0	112.4	F228	F228-T232 HydrophobicContact CD2-CG2 3.94Å; F228-T232 HydrophobicContact CE2-CG2 3.75Å; F228-T232 WeakPolarHBondContact O-CA 3.13Å; F228-T232 WeakPolarHBondContact O-CB 3.47Å; F228-T232 PolarHBondContact O-N 3.43Å; F228-T232 VanDerWaalsContact O-N 3.11Å
233	L	88.5	Confident	79.3	Confident	96 Å²	96	112.3 Å²	112.3	50%	0.503	57%	0.569	S	S	.	*	S	Bend	trans	-88.1	-7.3	179.5	-60.3	-179.6	0	0	0	113.2	F228 K229 F235	F228-L233 HydrophobicContact CD1-CD1 4.06Å; F228-L233 HydrophobicContact CD1-CG 4.3Å; F228-L233 HydrophobicContact CE1-CD1 3.62Å; F228-L233 HydrophobicContact CE1-CD2 4.25Å; F228-L233 HydrophobicContact CE1-CG 3.89Å; F228-L233 HydrophobicContact CZ-CD1 4.24Å; F228-L233 HydrophobicContact CZ-CD2 4.03Å; F228-L233 HydrophobicContact CZ-CG 4.08Å; F228-L233 PolarHBondContact O-N 3.42Å; K229-L233 WeakPolarHBondContact O-CB 3.35Å; L233-F235 VanDerWaalsContact C-N 3.28Å; L233-F235 HydrophobicContact CB-CD2 3.64Å; L233-F235 HydrophobicContact CB-CE2 3.66Å; L233-F235 HydrophobicContact CD1-CD2 4.42Å; L233-F235 HydrophobicContact CD1-CE2 3.87Å; L233-F235 HydrophobicContact CG-CE2 4.43Å; L233-F235 PolarHBondContact O-N 3.24Å
234	G	83.5	Confident	76.9	Confident	58 Å²	58	114.5 Å²	114.5	60%	0.598	60%	0.596	S	S	*	*			trans	67	23.3	173.3	0	0	0	0	0	114.8	K229 Y230	K229-G234 PolarHBondContact O-N 3.45Å; Y230-G234 WeakPolarHBondContact O-CA 3.41Å
235	F	80.9	Confident	74.6	Confident	116 Å²	116	114.3 Å²	114.3	51%	0.509	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-61.9	145.3	170.7	-74.6	-86.4	0	0	0	109.7	K229 Y230 L233	K229-F235 HydrophobicContact CG-CB 4.11Å; K229-F235 HydrophobicContact CG-CD2 3.61Å; K229-F235 HydrophobicContact CG-CE2 4.31Å; K229-F235 HydrophobicContact CG-CG 4.01Å; K229-F235 WeakPolarHBondContact O-CD2 3.4Å; K229-F235 PolarHBondContact O-N 3.32Å; Y230-F235 HydrophobicContact CD1-CB 3.88Å; Y230-F235 VanDerWaalsContact CD1-O 3.32Å; Y230-F235 WeakPolarHBondContact CD1-O 3.23Å; Y230-F235 HydrophobicContact CE1-CB 4.07Å; L233-F235 VanDerWaalsContact C-N 3.28Å; L233-F235 HydrophobicContact CB-CD2 3.64Å; L233-F235 HydrophobicContact CB-CE2 3.66Å; L233-F235 HydrophobicContact CD1-CD2 4.42Å; L233-F235 HydrophobicContact CD1-CE2 3.87Å; L233-F235 HydrophobicContact CG-CE2 4.43Å; L233-F235 PolarHBondContact O-N 3.24Å
236	E	78.5	Confident	72.2	Confident	141 Å²	141	114.1 Å²	114.1	66%	0.659	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-75.5	136.9	169.7	-71.2	-167.7	173.8	0	0	109.7	Y230	Y230-E236 WeakPolarHBondContact CE1-O 3.41Å
237	P	75.7	Confident	69.7	Low	87 Å²	87	119.8 Å²	119.8	57%	0.565	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-60	151.6	168.8	27.5	-33	0	0	0	109.3	Y230 R239	Y230-P237 HydrophobicContact CE1-CB 4.49Å; P237-R239 PolarHBondContact O-N 3.22Å; P237-R239 VanDerWaalsContact O-N 3.07Å
238	P	73.2	Confident	67.1	Low	100 Å²	100	117.9 Å²	117.9	65%	0.649	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-53.2	123.9	174	-11.2	19.2	0	0	0	108.6	L240	P238-L240 PolarHBondContact O-N 3.49Å
239	R	68.9	Low	64.5	Low	210 Å²	210	124.1 Å²	124.1	79%	0.792	68%	0.681	S	S	*	*			trans	-58.8	112	171	-72.5	-174.7	-172	-175.9	1.6	106.5	P237 L241	P237-R239 PolarHBondContact O-N 3.22Å; P237-R239 VanDerWaalsContact O-N 3.07Å; R239-L241 PolarHBondContact O-N 3.46Å
240	L	61.6	Low	62.3	Low	163 Å²	163	132.6 Å²	132.6	85%	0.853	73%	0.729	S	S	*	*			trans	-53	119.2	163.4	-65.8	173.2	0	0	0	104.6	P238 S242	P238-L240 PolarHBondContact O-N 3.49Å; L240-S242 PolarHBondContact O-N 3.42Å
241	L	48.5	Very low	60.9	Low	167 Å²	167	135.9 Å²	135.9	87%	0.874	75%	0.752	S	S	*	*			trans	-54.9	100	173.1	-73.4	169.1	0	0	0	105.5	R239 Q243	R239-L241 PolarHBondContact O-N 3.46Å; L241-Q243 PolarHBondContact O-N 3.47Å
242	S	51.4	Low	59.5	Low	103 Å²	103	135.3 Å²	135.3	72%	0.72	76%	0.755	S	S	*	*			trans	-52.4	117.1	167.5	52.8	0	0	0	0	103.8	L240 G244	L240-S242 PolarHBondContact O-N 3.42Å; S242-G244 VanDerWaalsContact C-N 3.28Å; S242-G244 WeakPolarHBondContact O-CA 3.46Å; S242-G244 PolarHBondContact O-N 3.33Å
243	Q	48.2	Very low	58.1	Low	198 Å²	198	137.4 Å²	137.4	93%	0.925	76%	0.764	S	S	*	*			trans	-47.1	102	177.5	-71	175.1	-24.2	0	0	107	L241 A245	L241-Q243 PolarHBondContact O-N 3.47Å; Q243-A245 PolarHBondContact O-N 3.42Å
244	G	44.7	Very low	56.3	Low	66 Å²	66	139.8 Å²	139.8	68%	0.68	78%	0.779	S	S	*	*			trans	-69.9	108	-167.5	0	0	0	0	0	107.4	S242 T246	S242-G244 VanDerWaalsContact C-N 3.28Å; S242-G244 WeakPolarHBondContact O-CA 3.46Å; S242-G244 PolarHBondContact O-N 3.33Å; G244-T246 PolarHBondContact O-N 3.48Å
245	A	44.7	Very low	54.6	Low	87 Å²	87	144.9 Å²	144.9	72%	0.719	79%	0.791	S	S	*	*			trans	30	83.8	143.1	0	0	0	0	0	114.3	Q243 E247	Q243-A245 PolarHBondContact O-N 3.42Å; A245-E247 PolarHBondContact O-N 3.24Å
246	T	43.5	Very low	52.9	Low	147 Å²	147	146.9 Å²	146.9	90%	0.902	81%	0.809	S	S	*	*			trans	-67.8	71	149.7	45.7	0	0	0	0	109.1	G244	G244-T246 PolarHBondContact O-N 3.48Å
247	E	38.4	Very low	51	Low	184 Å²	184	147.3 Å²	147.3	86%	0.86	82%	0.82	S	S	*	*			trans	-142.7	114.1	164.8	-78.8	-170	161.8	0	0	108.5	A245	A245-E247 PolarHBondContact O-N 3.24Å
248	G	36.4	Very low	49.1	Very low	79 Å²	79	151.9 Å²	151.9	81%	0.814	84%	0.84	S	S	*	*			trans	118.1	67.2	167.5	0	0	0	0	0	115.4
249	R	36.8	Very low	47.1	Very low	232 Å²	232	156.3 Å²	156.3	88%	0.875	86%	0.856	S	S	*	*			trans	-149.4	100.4	147.4	-156.4	168.6	-170.9	172.2	2.2	112.3
250	L	42.6	Very low	45.2	Very low	239 Å²	239	151.4 Å²	151.4	100%	1.251	86%	0.861	S	S	*	*			trans	69.7	0	159	-58.2	172.1	0	0	0	117.4

Retrieved 250 of 250 residues in 49 ms (Link to these results)

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