A0A5K4FB63_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4FB63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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	32.1	Very low	29.8	Very low	240 Å²	240	149.6 Å²	149.6	100%	1.182	86%	0.863	S	S	*	*				0	146.5	0	-67.7	177	176.6	0	0	108.1
2	I	35.2	Very low	29.6	Very low	167 Å²	167	154 Å²	154	86%	0.856	87%	0.865	S	S	*	*			trans	64.6	117.5	178.4	-47.4	179	0	0	0	115.4
3	F	26.1	Very low	29.4	Very low	217 Å²	217	153.2 Å²	153.2	95%	0.952	86%	0.858	S	S	*	*			trans	-127.8	148.9	169.9	-104.3	-83.9	0	0	0	108.7
4	G	26.9	Very low	29.5	Very low	57 Å²	57	155.1 Å²	155.1	59%	0.588	86%	0.857	S	S	*	*			trans	90.3	141.8	171.1	0	0	0	0	0	114.5
5	N	32.5	Very low	29.2	Very low	165 Å²	165	156.7 Å²	156.7	88%	0.882	86%	0.862	S	S	*	*			cis	-144.3	147.4	-3.4	-90.6	-42.2	0	0	0	110.4
6	K	31.1	Very low	29.2	Very low	210 Å²	210	152.5 Å²	152.5	91%	0.913	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-76.3	126.5	172.6	-72.4	-178.3	175.5	-179.1	0	109.9
7	V	30	Very low	29.2	Very low	138 Å²	138	151.7 Å²	151.7	84%	0.836	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-77.5	120.5	167	178.6	0	0	0	0	108.2
8	A	30.1	Very low	29.1	Very low	92 Å²	92	147.6 Å²	147.6	76%	0.76	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-96.4	116.4	171	0	0	0	0	0	109.3
9	T	26	Very low	29	Very low	138 Å²	138	143.7 Å²	143.7	85%	0.847	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-75.3	135.5	166.2	42.9	0	0	0	0	109.3
10	A	30.4	Very low	29.1	Very low	100 Å²	100	143.7 Å²	143.7	83%	0.826	84%	0.843	S	S	*	*			trans	-129.2	129.5	174.4	0	0	0	0	0	109.4
11	S	27.9	Very low	29	Very low	122 Å²	122	147.8 Å²	147.8	85%	0.853	85%	0.845	S	S	*	*			trans	-70.9	153.4	-167	-52	0	0	0	0	114.1
12	F	27	Very low	28.8	Very low	202 Å²	202	141.1 Å²	141.1	89%	0.886	81%	0.813	S	S	*	*			trans	-60.9	129.5	154.9	-91.4	-117.3	0	0	0	109.2
13	D	27.1	Very low	28.5	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	81%	0.808	S	S	*	*				-163.5	148	129.6	-116.9	-36.2	0	0	0	114.6
14	Q	30.7	Very low	28.5	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	79%	0.789	S	S	*	*			trans	60.6	106.3	161.1	-60.9	-179.5	5.4	0	0	120.5
15	L	25.6	Very low	28.4	Very low	179 Å²	179	141.3 Å²	141.3	94%	0.937	80%	0.8	S	S	*	*			trans	-78.8	145.1	171.3	-73.3	138.9	0	0	0	112.9
16	A	29.4	Very low	28.1	Very low	89 Å²	89	140.4 Å²	140.4	74%	0.736	79%	0.791	S	S	*	*			trans	-119.2	128.8	158.6	0	0	0	0	0	109.9	G18	A16-G18 PolarHBondContact O-N 3.46Å
17	P	29.1	Very low	28	Very low	139 Å²	139	135.5 Å²	135.5	90%	0.903	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	118.2	-175.6	31.3	-32.8	0	0	0	111.8
18	G	27.5	Very low	27.9	Very low	77 Å²	77	137.2 Å²	137.2	79%	0.794	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	145	-14.9	166.4	0	0	0	0	0	117.4	A16 I20	A16-G18 PolarHBondContact O-N 3.46Å; G18-I20 PolarHBondContact O-N 3.3Å
19	G	26.2	Very low	27.6	Very low	75 Å²	75	141.3 Å²	141.3	77%	0.773	78%	0.782	S	S	*	*			trans	-85.1	109.3	-176.4	0	0	0	0	0	114.3	R21	G19-R21 PolarHBondContact O-N 3.38Å
20	I	31.3	Very low	27.6	Very low	143 Å²	143	139.6 Å²	139.6	73%	0.733	78%	0.782	S	S	*	*			trans	-78.8	99.2	166.1	-59.9	177.9	0	0	0	108.7	G18 I22	G18-I20 PolarHBondContact O-N 3.3Å; I20-I22 PolarHBondContact O-N 2.98Å
21	R	27.5	Very low	27.3	Very low	230 Å²	230	141.6 Å²	141.6	87%	0.868	78%	0.778	S	S	*	*			trans	-64.8	115.6	168.8	-93.2	-176.5	160.3	-172.9	-4.8	110.3	G19 I23	G19-R21 PolarHBondContact O-N 3.38Å; R21-I23 PolarHBondContact O-N 2.83Å
22	I	28.3	Very low	27.2	Very low	99 Å²	99	143.5 Å²	143.5	51%	0.508	78%	0.778	S	S	.	*			trans	-80.3	104.1	165.2	-58.2	178.5	0	0	0	107.5	I20 Y24	I20-I22 PolarHBondContact O-N 2.98Å; I22-Y24 HydrophobicContact CB-CE2 3.99Å; I22-Y24 HydrophobicContact CG2-CD1 4.41Å; I22-Y24 HydrophobicContact CG2-CD2 4.04Å; I22-Y24 HydrophobicContact CG2-CE1 4.07Å; I22-Y24 HydrophobicContact CG2-CE2 3.67Å; I22-Y24 HydrophobicContact CG2-CG 4.39Å; I22-Y24 WeakPolarHBondContact O-CD2 3.28Å; I22-Y24 PolarHBondContact O-N 2.97Å
23	I	28.1	Very low	27.2	Very low	148 Å²	148	140.1 Å²	140.1	76%	0.759	78%	0.779	S	S	*	*			trans	-80.3	106.1	172.4	-56.4	177.7	0	0	0	107.7	R21 N25	R21-I23 PolarHBondContact O-N 2.83Å; I23-N25 PolarHBondContact O-N 3.43Å
24	Y	26	Very low	27.1	Very low	144 Å²	144	139.7 Å²	139.7	57%	0.565	78%	0.777	S	S	*	*			trans	-79.3	107	176	-68.1	-90.6	0	0	0	110.3	I22 E125	I22-Y24 HydrophobicContact CB-CE2 3.99Å; I22-Y24 HydrophobicContact CG2-CD1 4.41Å; I22-Y24 HydrophobicContact CG2-CD2 4.04Å; I22-Y24 HydrophobicContact CG2-CE1 4.07Å; I22-Y24 HydrophobicContact CG2-CE2 3.67Å; I22-Y24 HydrophobicContact CG2-CG 4.39Å; I22-Y24 WeakPolarHBondContact O-CD2 3.28Å; I22-Y24 PolarHBondContact O-N 2.97Å; Y24-E125 PolarHBondContact OH-OE1 2.83Å; Y24-E125 VanDerWaalsContact OH-OE1 3.1Å
25	N	25.2	Very low	26.9	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	77%	0.769	S	S	*	*			trans	-102.4	101.1	165.8	-117.6	8.4	0	0	0	110	I23	I23-N25 PolarHBondContact O-N 3.43Å
26	Q	26	Very low	26.9	Very low	147 Å²	147	140.2 Å²	140.2	69%	0.687	76%	0.764	S	S	*	*			trans	-149.9	153.5	171	-76.9	-74.4	-88.3	0	0	106.5
27	P	29.4	Very low	26.8	Very low	107 Å²	107	143.5 Å²	143.5	70%	0.695	77%	0.77	S	S	*	*			cis	-117.9	-159.4	16.4	35.8	-15.1	0	0	0	110.4
28	Q	27.1	Very low	26.9	Very low	174 Å²	174	144.5 Å²	144.5	81%	0.813	77%	0.766	S	S	*	*			cis	-129.6	-150.5	5.3	-60.4	-172	1.3	0	0	112.1
29	H	24.5	Very low	26.9	Very low	177 Å²	177	146 Å²	146	82%	0.819	76%	0.762	S	S	*	*			trans	-66.4	141.5	177.1	-76.5	-128.1	0	0	0	114.6
30	A	26.1	Very low	27	Very low	102 Å²	102	150 Å²	150	84%	0.843	76%	0.76	S	S	*	*			trans	-158.6	147.1	136.6	0	0	0	0	0	110
31	I	24.5	Very low	27	Very low	142 Å²	142	151 Å²	151	73%	0.728	76%	0.762	S	S	*	*			trans	-116.5	140.5	-177.9	-68.3	170.3	0	0	0	108.3
32	L	24.7	Very low	27.2	Very low	163 Å²	163	147 Å²	147	85%	0.853	76%	0.758	S	S	*	*			trans	57.1	114.7	168.3	-69.8	163.8	0	0	0	118.1
33	S	26.2	Very low	27.6	Very low	131 Å²	131	147 Å²	147	92%	0.916	76%	0.757	S	S	*	*				173.4	-179.4	116.5	46.7	0	0	0	0	110.8
34	D	26.2	Very low	28	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	75%	0.749	S	S	*	*			trans	-101.6	168.8	-151.6	-131.1	-50.9	0	0	0	114.8
35	H	25.2	Very low	28.5	Very low	147 Å²	147	145.5 Å²	145.5	68%	0.681	75%	0.749	S	S	*	*			trans	82.1	118.8	156	-58.4	-15.7	0	0	0	122.4
36	R	26.7	Very low	28.9	Very low	222 Å²	222	143.6 Å²	143.6	84%	0.838	73%	0.733	S	S	*	*				47.7	141.2	124.2	-61.2	179.9	176.1	175.5	-0.9	121.2
37	N	27.8	Very low	29.3	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	72%	0.715	S	S	*	*			trans	81	91.9	167.1	-60	-14.6	0	0	0	117.4
38	I	29.8	Very low	29.6	Very low	160 Å²	160	140.2 Å²	140.2	82%	0.821	72%	0.717	S	S	*	*			trans	-132.5	136.5	148.5	-58.5	179.1	0	0	0	106.2
39	P	28.3	Very low	30.2	Very low	109 Å²	109	137.4 Å²	137.4	71%	0.708	72%	0.717	S	S	*	*			trans	-67.4	150.4	-173.5	-18.6	32.2	0	0	0	113.3
40	Q	28.2	Very low	31.1	Very low	158 Å²	158	131.8 Å²	131.8	74%	0.738	70%	0.697	S	S	*	*			trans	-100	112.3	168.8	-71.1	-178	-14.6	0	0	109.2
41	E	32.1	Very low	31.9	Very low	165 Å²	165	134.5 Å²	134.5	77%	0.771	69%	0.692	S	S	*	*			trans	-109.4	149.4	169	-68.1	-177.8	-160.5	0	0	110	I43	E41-I43 PolarHBondContact O-N 3.4Å
42	D	31.7	Very low	32.2	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	68%	0.675	S	S	*	*			trans	-61.9	110	-155.4	-74.7	-65.7	0	0	0	116.5
43	I	36.9	Very low	32.6	Very low	97 Å²	97	128.1 Å²	128.1	50%	0.497	66%	0.662	S	S	.	*			trans	-105	106	164.8	-50.7	-179.6	0	0	0	110.2	E41 F45	E41-I43 PolarHBondContact O-N 3.4Å; I43-F45 HydrophobicContact CB-CE2 3.95Å; I43-F45 HydrophobicContact CB-CZ 4.33Å; I43-F45 HydrophobicContact CG2-CD2 4.13Å; I43-F45 HydrophobicContact CG2-CE1 4.15Å; I43-F45 HydrophobicContact CG2-CE2 3.45Å; I43-F45 VanDerWaalsContact CG2-CE2 3.45Å; I43-F45 HydrophobicContact CG2-CZ 3.46Å; I43-F45 VanDerWaalsContact CG2-CZ 3.46Å; I43-F45 WeakPolarHBondContact O-CD2 3.15Å
44	K	34.7	Very low	32.9	Very low	134 Å²	134	126.2 Å²	126.2	58%	0.583	64%	0.638	S	S	*	*			trans	-86.7	131.7	174.2	-64.3	174.7	-175.8	171.9	0	110.2	L53	K44-L53 HydrophobicContact CB-CD2 4.43Å
45	F	37.6	Very low	33.3	Very low	128 Å²	128	124.3 Å²	124.3	56%	0.561	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.5	138.6	-179.6	-69.6	-88.6	0	0	0	111.7	I43 L53 F54	I43-F45 HydrophobicContact CB-CE2 3.95Å; I43-F45 HydrophobicContact CB-CZ 4.33Å; I43-F45 HydrophobicContact CG2-CD2 4.13Å; I43-F45 HydrophobicContact CG2-CE1 4.15Å; I43-F45 HydrophobicContact CG2-CE2 3.45Å; I43-F45 VanDerWaalsContact CG2-CE2 3.45Å; I43-F45 HydrophobicContact CG2-CZ 3.46Å; I43-F45 VanDerWaalsContact CG2-CZ 3.46Å; I43-F45 WeakPolarHBondContact O-CD2 3.15Å; F45-L53 WeakPolarHBondContact O-CA 3.49Å; F45-F54 PolarHBondContact N-O 3.17Å; F45-F54 PolarHBondContact O-N 2.83Å
46	F	32.5	Very low	33.8	Very low	112 Å²	112	122 Å²	122	49%	0.491	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	134.8	-178.9	-174.4	-108.4	0	0	0	111.5	N48 Q51 L53	F46-N48 WeakPolarHBondContact CD1-OD1 3.17Å; F46-N48 VanDerWaalsContact CE1-OD1 3.29Å; F46-N48 WeakPolarHBondContact CE1-OD1 3.49Å; F46-Q51 HydrophobicContact CE2-CB 4.44Å; F46-Q51 WeakPolarHBondContact CE2-O 3.34Å; F46-Q51 HydrophobicContact CZ-CB 4.09Å; F46-Q51 HydrophobicContact CZ-CG 4.42Å; F46-L53 HydrophobicContact CB-CD2 3.79Å; F46-L53 HydrophobicContact CD2-CD2 4.06Å; F46-L53 HydrophobicContact CD2-CG 4.06Å; F46-L53 HydrophobicContact CG-CD2 4.41Å
47	C	35.9	Very low	33.9	Very low	45 Å²	45	119 Å²	119	30%	0.304	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	110.7	176.8	-172.4	0	0	0	0	111.3	S49 S50 Q51 T52 F54	C47-S49 PolarHBondContact O-N 3.16Å; C47-S49 VanDerWaalsContact O-N 3.16Å; C47-S49 PolarHBondContact SG-OG 3.45Å; C47-S50 WeakPolarHBondContact CB-OG 3.25Å; C47-S50 PolarHBondContact O-N 2.84Å; C47-S50 VanDerWaalsContact O-N 3.16Å; C47-Q51 WeakPolarHBondContact O-CA 3.4Å; C47-Q51 PolarHBondContact O-N 3.03Å; C47-T52 PolarHBondContact N-O 3.44Å; C47-T52 VanDerWaalsContact N-O 3.08Å; C47-F54 HydrophobicContact CB-CD2 4.45Å; C47-F54 HydrophobicContact CB-CE2 4.13Å
48	N	34.4	Very low	33.9	Very low	139 Å²	139	116.9 Å²	116.9	74%	0.743	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-20.3	-176.1	-76.4	10.2	0	0	0	114.9	F46	F46-N48 WeakPolarHBondContact CD1-OD1 3.17Å; F46-N48 VanDerWaalsContact CE1-OD1 3.29Å; F46-N48 WeakPolarHBondContact CE1-OD1 3.49Å
49	S	39.7	Very low	34	Very low	115 Å²	115	115.3 Å²	115.3	80%	0.804	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-15.2	177.5	51.7	0	0	0	0	114	C47	C47-S49 PolarHBondContact O-N 3.16Å; C47-S49 VanDerWaalsContact O-N 3.16Å; C47-S49 PolarHBondContact SG-OG 3.45Å
50	S	43.3	Very low	34.1	Very low	59 Å²	59	116.2 Å²	116.2	41%	0.413	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.9	1.7	178.9	65.4	0	0	0	0	114.1	C47 T52	C47-S50 WeakPolarHBondContact CB-OG 3.25Å; C47-S50 PolarHBondContact O-N 2.84Å; C47-S50 VanDerWaalsContact O-N 3.16Å; S50-T52 WeakPolarHBondContact CB-OG1 3.49Å; S50-T52 PolarHBondContact O-N 3.12Å; S50-T52 PolarHBondContact O-OG1 2.94Å; S50-T52 PolarHBondContact OG-OG1 3.4Å
51	Q	43	Very low	34.1	Very low	158 Å²	158	112.8 Å²	112.8	74%	0.738	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.1	33.5	-178.7	-59.8	-169.6	11.9	0	0	115.2	F46 C47	F46-Q51 HydrophobicContact CE2-CB 4.44Å; F46-Q51 WeakPolarHBondContact CE2-O 3.34Å; F46-Q51 HydrophobicContact CZ-CB 4.09Å; F46-Q51 HydrophobicContact CZ-CG 4.42Å; C47-Q51 WeakPolarHBondContact O-CA 3.4Å; C47-Q51 PolarHBondContact O-N 3.03Å
52	T	31.8	Very low	34.1	Very low	60 Å²	60	112.6 Å²	112.6	37%	0.368	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123	140.2	-174.3	28.5	0	0	0	0	111.6	C47 S50 F54	C47-T52 PolarHBondContact N-O 3.44Å; C47-T52 VanDerWaalsContact N-O 3.08Å; S50-T52 WeakPolarHBondContact CB-OG1 3.49Å; S50-T52 PolarHBondContact O-N 3.12Å; S50-T52 PolarHBondContact O-OG1 2.94Å; S50-T52 PolarHBondContact OG-OG1 3.4Å; T52-F54 WeakPolarHBondContact OG1-CE2 3.19Å; T52-F54 WeakPolarHBondContact OG1-CZ 3.38Å
53	L	33	Very low	34.2	Very low	111 Å²	111	116.9 Å²	116.9	58%	0.581	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.2	128.1	171.7	-75.9	168.3	0	0	0	109.5	K44 F45 F46	K44-L53 HydrophobicContact CB-CD2 4.43Å; F45-L53 WeakPolarHBondContact O-CA 3.49Å; F46-L53 HydrophobicContact CB-CD2 3.79Å; F46-L53 HydrophobicContact CD2-CD2 4.06Å; F46-L53 HydrophobicContact CD2-CG 4.06Å; F46-L53 HydrophobicContact CG-CD2 4.41Å
54	F	33.3	Very low	33.8	Very low	92 Å²	92	121.9 Å²	121.9	40%	0.404	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.6	135	178	-67.3	-80.8	0	0	0	111.8	F45 C47 T52	F45-F54 PolarHBondContact N-O 3.17Å; F45-F54 PolarHBondContact O-N 2.83Å; C47-F54 HydrophobicContact CB-CD2 4.45Å; C47-F54 HydrophobicContact CB-CE2 4.13Å; T52-F54 WeakPolarHBondContact OG1-CE2 3.19Å; T52-F54 WeakPolarHBondContact OG1-CZ 3.38Å
55	P	33.4	Very low	34.2	Very low	95 Å²	95	123.8 Å²	123.8	62%	0.617	63%	0.631	S	S	*	*			trans	-62	148.9	162.3	-17.5	31.2	0	0	0	110.8	H57	P55-H57 PolarHBondContact O-N 2.83Å
56	Q	35.3	Very low	34.5	Very low	99 Å²	99	120.3 Å²	120.3	46%	0.463	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	83.9	-171.9	-174.9	-179.3	-8.7	0	0	112.8
57	H	29.3	Very low	35.2	Very low	158 Å²	158	123 Å²	123	73%	0.731	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.2	6.3	159.8	-124.6	-73	0	0	0	119.1	P55	P55-H57 PolarHBondContact O-N 2.83Å
58	T	28	Very low	36.1	Very low	114 Å²	114	125.1 Å²	125.1	70%	0.699	65%	0.65	S	S	*	*	S	Bend	trans	-113.1	3	-177.1	47.7	0	0	0	0	116.2
59	V	31.1	Very low	37	Very low	127 Å²	127	128 Å²	128	77%	0.77	65%	0.652	S	S	*	*	S	Bend	trans	-119.3	88.9	178.2	-172.2	0	0	0	0	112.3	S61	V59-S61 PolarHBondContact O-N 3.47Å; V59-S61 VanDerWaalsContact O-N 3.14Å
60	L	30.7	Very low	38	Very low	128 Å²	128	126.3 Å²	126.3	67%	0.67	65%	0.653	S	S	*	*			trans	42.6	53.5	151.5	-60.1	175.8	0	0	0	117.5
61	S	29.3	Very low	39.5	Very low	86 Å²	86	129.8 Å²	129.8	60%	0.601	66%	0.661	S	S	*	*			trans	-74.3	132.3	163.5	45.6	0	0	0	0	112.1	V59	V59-S61 PolarHBondContact O-N 3.47Å; V59-S61 VanDerWaalsContact O-N 3.14Å
62	E	31.9	Very low	41.4	Very low	162 Å²	162	127.7 Å²	127.7	76%	0.757	65%	0.653	S	S	*	*			trans	69.5	88.1	138.9	-62.2	178.5	170.2	0	0	121.3	K64	E62-K64 PolarHBondContact O-N 3.35Å
63	R	33.2	Very low	44	Very low	236 Å²	236	125.8 Å²	125.8	89%	0.891	64%	0.64	S	S	*	*				57.5	35	112.3	-68.3	-177.7	174.2	175	0.3	119.7
64	K	28.7	Very low	46.5	Very low	202 Å²	202	128.2 Å²	128.2	88%	0.878	65%	0.646	S	S	*	*			trans	-132.5	88.4	150.4	-73	-171.6	-178.6	174.9	0	111.7	E62 G66	E62-K64 PolarHBondContact O-N 3.35Å; K64-G66 PolarHBondContact O-N 3.3Å
65	F	43	Very low	49.1	Very low	174 Å²	174	124.4 Å²	124.4	76%	0.763	63%	0.631	S	S	*	*			trans	-74.2	93.4	171.3	-73	-78.3	0	0	0	110.4
66	G	44	Very low	51.8	Low	54 Å²	54	125.5 Å²	125.5	56%	0.557	64%	0.641	S	S	*	*			trans	-59	153.6	162.8	0	0	0	0	0	111.3	K64 D68	K64-G66 PolarHBondContact O-N 3.3Å; G66-D68 PolarHBondContact O-N 3.29Å; G66-D68 VanDerWaalsContact O-N 3.15Å
67	K	46.3	Very low	54.1	Low	170 Å²	170	124.3 Å²	124.3	74%	0.739	64%	0.643	S	S	*	*			trans	-84.4	86.4	177.9	-63.1	-173.9	-170.9	172.1	0	110.1	Y69	K67-Y69 HydrophobicContact CB-CD2 3.84Å; K67-Y69 HydrophobicContact CB-CE2 3.65Å; K67-Y69 HydrophobicContact CD-CE2 3.63Å; K67-Y69 HydrophobicContact CG-CE2 4.21Å; K67-Y69 PolarHBondContact O-N 3.46Å
68	D	56.6	Low	56.8	Low	88 Å²	88	118.7 Å²	118.7	47%	0.471	62%	0.621	S	S	.	*			trans	-70.6	58.2	177.8	-66.4	-22.3	0	0	0	113	G66 G70 K71 F73	G66-D68 PolarHBondContact O-N 3.29Å; G66-D68 VanDerWaalsContact O-N 3.15Å; D68-G70 PolarHBondContact O-N 3.41Å; D68-K71 HydrophobicContact CB-CB 4.48Å; D68-F73 HydrophobicContact CB-CE2 4.41Å; D68-F73 HydrophobicContact CB-CZ 4.26Å
69	Y	52.1	Low	59.7	Low	200 Å²	200	121.2 Å²	121.2	78%	0.784	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	123.1	174.8	-69.6	-67.1	0	0	0	110.6	K67	K67-Y69 HydrophobicContact CB-CD2 3.84Å; K67-Y69 HydrophobicContact CB-CE2 3.65Å; K67-Y69 HydrophobicContact CD-CE2 3.63Å; K67-Y69 HydrophobicContact CG-CE2 4.21Å; K67-Y69 PolarHBondContact O-N 3.46Å
70	G	60.5	Low	62.2	Low	80 Å²	80	122.7 Å²	122.7	83%	0.825	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.9	-12.1	173.9	0	0	0	0	0	116	D68 I72	D68-G70 PolarHBondContact O-N 3.41Å; G70-I72 PolarHBondContact O-N 3.4Å
71	K	75.4	Confident	64.8	Low	132 Å²	132	120.4 Å²	120.4	57%	0.574	61%	0.614	S	S	*	*			trans	-81.1	121.8	177.9	-166	165.8	-175	169.8	0	111.2	D68 F73	D68-K71 HydrophobicContact CB-CB 4.48Å; K71-F73 HydrophobicContact CB-CE2 4.04Å; K71-F73 HydrophobicContact CB-CZ 4.15Å; K71-F73 HydrophobicContact CD-CE1 4.21Å; K71-F73 HydrophobicContact CD-CZ 3.97Å; K71-F73 HydrophobicContact CG-CE1 4.37Å; K71-F73 HydrophobicContact CG-CE2 4.19Å; K71-F73 HydrophobicContact CG-CZ 3.99Å; K71-F73 WeakPolarHBondContact O-CD2 3.48Å; K71-F73 WeakPolarHBondContact O-CE2 3.45Å
72	I	82.8	Confident	67.4	Low	113 Å²	113	118.3 Å²	118.3	58%	0.579	59%	0.594	S	S	*	*			trans	-90.7	124.6	175.7	-61.7	170.8	0	0	0	109.3	G70 T81	G70-I72 PolarHBondContact O-N 3.4Å; I72-T81 HydrophobicContact CG2-CG2 4.23Å
73	F	87.1	Confident	70	Confident	21 Å²	21	116.5 Å²	116.5	9%	0.092	59%	0.594	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	112.8	177.4	-59.3	-91.5	0	0	0	109	D68 K71 T81 F82 R85 L88	D68-F73 HydrophobicContact CB-CE2 4.41Å; D68-F73 HydrophobicContact CB-CZ 4.26Å; K71-F73 HydrophobicContact CB-CE2 4.04Å; K71-F73 HydrophobicContact CB-CZ 4.15Å; K71-F73 HydrophobicContact CD-CE1 4.21Å; K71-F73 HydrophobicContact CD-CZ 3.97Å; K71-F73 HydrophobicContact CG-CE1 4.37Å; K71-F73 HydrophobicContact CG-CE2 4.19Å; K71-F73 HydrophobicContact CG-CZ 3.99Å; K71-F73 WeakPolarHBondContact O-CD2 3.48Å; K71-F73 WeakPolarHBondContact O-CE2 3.45Å; F73-T81 CarbonylContact O-C 3.55Å; F73-T81 WeakPolarHBondContact O-CA 3.17Å; F73-F82 PolarHBondContact N-O 2.81Å; F73-F82 PolarHBondContact O-N 3.24Å; F73-R85 HydrophobicContact CD1-CB 4.21Å; F73-R85 HydrophobicContact CE1-CB 3.87Å; F73-R85 HydrophobicContact CE1-CG 4.32Å; F73-R85 HydrophobicContact CE2-CB 4.4Å; F73-R85 HydrophobicContact CZ-CB 3.98Å; F73-L88 HydrophobicContact CB-CB 4.17Å; F73-L88 HydrophobicContact CB-CD2 3.85Å
74	K	84.9	Confident	72.4	Confident	161 Å²	161	107.7 Å²	107.7	70%	0.7	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.4	146.6	176.9	-55	-166.3	177	-177.8	0	110.6	T81 L88	K74-T81 HydrophobicContact CB-CG2 4.47Å; K74-T81 HydrophobicContact CD-CG2 4.5Å; K74-T81 HydrophobicContact CG-CG2 3.93Å; K74-L88 WeakPolarHBondContact O-CD2 3.42Å
75	C	88.7	Confident	75.1	Confident	13 Å²	13	104.8 Å²	104.8	9%	0.088	55%	0.552	C	S	.	*			trans	-72.4	145.5	164.4	-172.2	0	0	0	0	110	S77 C78 R80 L88 H91	C75-S77 VanDerWaalsContact C-N 3.34Å; C75-S77 PolarHBondContact SG-N 3.27Å; C75-C78 WeakPolarHBondContact CB-O 3.34Å; C75-R80 PolarHBondContact N-O 3.34Å; C75-L88 HydrophobicContact CB-CD1 3.88Å; C75-H91 PolarHBondContact SG-NE2 3.38Å; C75-H91 VanDerWaalsContact SG-NE2 3.45Å
76	S	88.5	Confident	77.1	Confident	118 Å²	118	98.9 Å²	98.9	83%	0.825	53%	0.532	S	S	*	.	S	Bend	trans	-80.7	-16.7	173.4	48.3	0	0	0	0	113.2
77	S	83.2	Confident	79	Confident	73 Å²	73	97.3 Å²	97.3	51%	0.51	52%	0.516	S	S	.	.	S	Bend	trans	-118.1	-0.9	-168.7	-51.8	0	0	0	0	113.5	C75 H96	C75-S77 VanDerWaalsContact C-N 3.34Å; C75-S77 PolarHBondContact SG-N 3.27Å; S77-H96 PolarHBondContact O-CE1 2.86Å; S77-H96 VanDerWaalsContact O-CE1 3.27Å
78	C	87.1	Confident	81	Confident	41 Å²	41	90.6 Å²	90.6	28%	0.277	49%	0.488	S	S	.	.	S	Bend	trans	-163.2	169.9	165.8	70.6	0	0	0	0	111	C75 R80 H91 H96	C75-C78 WeakPolarHBondContact CB-O 3.34Å; C78-R80 PolarHBondContact O-N 3.36Å; C78-H91 VanDerWaalsContact SG-CE1 3.59Å; C78-H91 PolarHBondContact SG-NE2 2.92Å; C78-H96 PolarHBondContact SG-NE2 3.48Å; C78-H96 VanDerWaalsContact SG-NE2 3.36Å
79	D	88	Confident	82.5	Confident	166 Å²	166	91.8 Å²	91.8	89%	0.888	49%	0.486	S	S	*	.	S	Bend	trans	-72.9	8.4	-176.5	-53.9	-60.1	0	0	0	115.4
80	R	83.5	Confident	84.1	Confident	158 Å²	158	86 Å²	86	60%	0.596	46%	0.463	S	S	*	.			trans	-74.2	140.4	-179	-71.9	-166.8	173	-160	-0.4	112.3	C75 C78 F82	C75-R80 PolarHBondContact N-O 3.34Å; C78-R80 PolarHBondContact O-N 3.36Å; R80-F82 HydrophobicContact CB-CE2 3.67Å; R80-F82 HydrophobicContact CB-CZ 3.81Å
81	T	86.8	Confident	85.3	Confident	80 Å²	80	82.8 Å²	82.8	49%	0.491	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.2	-179.7	68.9	0	0	0	0	111.3	I72 F73 K74	I72-T81 HydrophobicContact CG2-CG2 4.23Å; F73-T81 CarbonylContact O-C 3.55Å; F73-T81 WeakPolarHBondContact O-CA 3.17Å; K74-T81 HydrophobicContact CB-CG2 4.47Å; K74-T81 HydrophobicContact CD-CG2 4.5Å; K74-T81 HydrophobicContact CG-CG2 3.93Å
82	F	83.7	Confident	85.9	Confident	43 Å²	43	77.6 Å²	77.6	19%	0.189	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.5	-171.7	-60.2	-89	0	0	0	110.4	F73 R80 S84 L88 H91	F73-F82 PolarHBondContact N-O 2.81Å; F73-F82 PolarHBondContact O-N 3.24Å; R80-F82 HydrophobicContact CB-CE2 3.67Å; R80-F82 HydrophobicContact CB-CZ 3.81Å; F82-S84 PolarHBondContact O-N 3Å; F82-L88 HydrophobicContact CB-CB 4.12Å; F82-L88 HydrophobicContact CD2-CB 3.93Å; F82-L88 HydrophobicContact CD2-CD1 3.83Å; F82-L88 HydrophobicContact CD2-CG 4.48Å; F82-L88 HydrophobicContact CE2-CD1 4.09Å; F82-L88 HydrophobicContact CG-CB 4.1Å; F82-H91 HydrophobicContact CE1-CB 3.63Å; F82-H91 HydrophobicContact CE2-CB 3.9Å; F82-H91 AromaticContact CE2-CD2 3.15Å; F82-H91 WeakPolarHBondContact CE2-CD2 3.18Å; F82-H91 AromaticContact CE2-CG 3.64Å; F82-H91 AromaticContact CE2-NE2 3.92Å; F82-H91 HydrophobicContact CZ-CB 3.3Å; F82-H91 AromaticContact CZ-CD2 3.24Å; F82-H91 WeakPolarHBondContact CZ-CD2 3.25Å; F82-H91 AromaticContact CZ-CG 3.19Å; F82-H91 AromaticContact CZ-ND1 3.98Å; F82-H91 AromaticContact CZ-NE2 3.99Å
83	T	86.1	Confident	86	Confident	124 Å²	124	73.7 Å²	73.7	76%	0.761	39%	0.385	S	S	*	.	S	Bend	trans	-84.2	6.1	176.5	52.3	0	0	0	0	113.5
84	S	83.6	Confident	85.7	Confident	50 Å²	50	75.4 Å²	75.4	35%	0.35	40%	0.395	S	S	.	.	S	Bend	trans	-152.1	145.1	175.3	63.3	0	0	0	0	111.4	F82 S86 G87 L88	F82-S84 PolarHBondContact O-N 3Å; S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 3.48Å; S84-G87 PolarHBondContact O-N 2.86Å; S84-G87 VanDerWaalsContact O-N 3.12Å; S84-G87 PolarHBondContact OG-N 2.84Å; S84-G87 VanDerWaalsContact OG-N 3.14Å; S84-L88 PolarHBondContact O-N 2.85Å; S84-L88 VanDerWaalsContact O-N 3.1Å
85	R	85.2	Confident	85.7	Confident	142 Å²	142	71.4 Å²	71.4	54%	0.536	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-38.4	175.8	-170.1	170.3	178.5	79.4	-2.6	112.1	F73 L88 W89	F73-R85 HydrophobicContact CD1-CB 4.21Å; F73-R85 HydrophobicContact CE1-CB 3.87Å; F73-R85 HydrophobicContact CE1-CG 4.32Å; F73-R85 HydrophobicContact CE2-CB 4.4Å; F73-R85 HydrophobicContact CZ-CB 3.98Å; R85-L88 PolarHBondContact O-N 3.23Å; R85-W89 PolarHBondContact O-N 3.28Å
86	S	84.8	Confident	85.5	Confident	50 Å²	50	74.1 Å²	74.1	35%	0.35	40%	0.395	S	S	.	.	H	α-helix	trans	-64.9	-37.9	175.2	-46.8	0	0	0	0	112.4	S84 W89 Y90	S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 3.48Å; S86-W89 PolarHBondContact O-N 3.1Å; S86-Y90 WeakPolarHBondContact O-CD2 3.48Å; S86-Y90 PolarHBondContact O-N 2.78Å
87	G	85.1	Confident	85.3	Confident	21 Å²	21	73.9 Å²	73.9	22%	0.216	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.8	0	0	0	0	0	112.6	S84 H91	S84-G87 PolarHBondContact O-N 2.86Å; S84-G87 VanDerWaalsContact O-N 3.12Å; S84-G87 PolarHBondContact OG-N 2.84Å; S84-G87 VanDerWaalsContact OG-N 3.14Å; G87-H91 WeakPolarHBondContact O-CB 3.24Å; G87-H91 PolarHBondContact O-N 2.86Å
88	L	87.6	Confident	85	Confident	29 Å²	29	73.8 Å²	73.8	15%	0.152	38%	0.377	C	S	.	.	H	α-helix	trans	-61.1	-46.4	172.3	172.2	59.7	0	0	0	111.4	F73 K74 C75 F82 S84 R85 Y90 H91 V92	F73-L88 HydrophobicContact CB-CB 4.17Å; F73-L88 HydrophobicContact CB-CD2 3.85Å; K74-L88 WeakPolarHBondContact O-CD2 3.42Å; C75-L88 HydrophobicContact CB-CD1 3.88Å; F82-L88 HydrophobicContact CB-CB 4.12Å; F82-L88 HydrophobicContact CD2-CB 3.93Å; F82-L88 HydrophobicContact CD2-CD1 3.83Å; F82-L88 HydrophobicContact CD2-CG 4.48Å; F82-L88 HydrophobicContact CE2-CD1 4.09Å; F82-L88 HydrophobicContact CG-CB 4.1Å; S84-L88 PolarHBondContact O-N 2.85Å; S84-L88 VanDerWaalsContact O-N 3.1Å; R85-L88 PolarHBondContact O-N 3.23Å; L88-Y90 PolarHBondContact O-N 2.79Å; L88-H91 WeakPolarHBondContact O-CB 3.32Å; L88-H91 PolarHBondContact O-N 2.78Å; L88-H91 VanDerWaalsContact O-N 3.15Å; L88-V92 HydrophobicContact CD1-CG2 3.96Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.83Å
89	W	88.6	Confident	84.8	Confident	112 Å²	112	77.2 Å²	77.2	42%	0.424	39%	0.389	S	S	.	.	H	α-helix	trans	-57.4	-50.5	178.4	-178.6	82	0	0	0	111.8	R85 S86 H91 V92 Q93	R85-W89 PolarHBondContact O-N 3.28Å; S86-W89 PolarHBondContact O-N 3.1Å; W89-H91 VanDerWaalsContact C-N 3.27Å; W89-H91 PolarHBondContact O-N 3.4Å; W89-V92 PolarHBondContact O-N 3.11Å; W89-Q93 HydrophobicContact CD2-CG 3.97Å; W89-Q93 HydrophobicContact CE3-CG 4.29Å; W89-Q93 HydrophobicContact CH2-CG 4Å; W89-Q93 HydrophobicContact CZ2-CG 3.64Å; W89-Q93 HydrophobicContact CZ3-CG 4.31Å; W89-Q93 WeakPolarHBondContact O-CG 3.41Å; W89-Q93 PolarHBondContact O-N 3.26Å
90	Y	84.8	Confident	84.8	Confident	79 Å²	79	73.9 Å²	73.9	31%	0.31	37%	0.372	S	S	.	.	H	α-helix	trans	-58.1	-39	176	-82	-61	0	0	0	112.8	S86 L88 L94 L112 Q114	S86-Y90 WeakPolarHBondContact O-CD2 3.48Å; S86-Y90 PolarHBondContact O-N 2.78Å; L88-Y90 PolarHBondContact O-N 2.79Å; Y90-L94 WeakPolarHBondContact O-CB 3.38Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.29Å; Y90-L112 HydrophobicContact CD1-CD1 3.71Å; Y90-L112 HydrophobicContact CD1-CD2 4.46Å; Y90-L112 HydrophobicContact CE1-CD1 3.72Å; Y90-Q114 VanDerWaalsContact CE1-NE2 3.35Å; Y90-Q114 PolarHBondContact OH-NE2 2.72Å; Y90-Q114 PolarHBondContact OH-OE1 2.83Å
91	H	86.8	Confident	85	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.06	35%	0.351	C	S	.	.	H	α-helix	trans	-64.5	-45.7	176.6	160.5	53.6	0	0	0	112.5	C75 C78 F82 G87 L88 W89 L94 V95 H96	C75-H91 PolarHBondContact SG-NE2 3.38Å; C75-H91 VanDerWaalsContact SG-NE2 3.45Å; C78-H91 VanDerWaalsContact SG-CE1 3.59Å; C78-H91 PolarHBondContact SG-NE2 2.92Å; F82-H91 HydrophobicContact CE1-CB 3.63Å; F82-H91 HydrophobicContact CE2-CB 3.9Å; F82-H91 AromaticContact CE2-CD2 3.15Å; F82-H91 WeakPolarHBondContact CE2-CD2 3.18Å; F82-H91 AromaticContact CE2-CG 3.64Å; F82-H91 AromaticContact CE2-NE2 3.92Å; F82-H91 HydrophobicContact CZ-CB 3.3Å; F82-H91 AromaticContact CZ-CD2 3.24Å; F82-H91 WeakPolarHBondContact CZ-CD2 3.25Å; F82-H91 AromaticContact CZ-CG 3.19Å; F82-H91 AromaticContact CZ-ND1 3.98Å; F82-H91 AromaticContact CZ-NE2 3.99Å; G87-H91 WeakPolarHBondContact O-CB 3.24Å; G87-H91 PolarHBondContact O-N 2.86Å; L88-H91 WeakPolarHBondContact O-CB 3.32Å; L88-H91 PolarHBondContact O-N 2.78Å; L88-H91 VanDerWaalsContact O-N 3.15Å; W89-H91 VanDerWaalsContact C-N 3.27Å; W89-H91 PolarHBondContact O-N 3.4Å; H91-L94 PolarHBondContact O-N 3.31Å; H91-V95 WeakPolarHBondContact ND1-CG2 3.48Å; H91-V95 VanDerWaalsContact O-CB 3.3Å; H91-V95 WeakPolarHBondContact O-CB 3.41Å; H91-V95 WeakPolarHBondContact O-CG2 3.48Å; H91-V95 PolarHBondContact O-N 2.86Å; H91-H96 AromaticContact CE1-CD2 3.77Å; H91-H96 AromaticContact CE1-NE2 3.46Å; H91-H96 PolarHBondContact CE1-NE2 2.85Å; H91-H96 AromaticContact NE2-CD2 3.77Å; H91-H96 AromaticContact NE2-NE2 3.48Å; H91-H96 PolarHBondContact NE2-NE2 2.99Å
92	V	86.9	Confident	85.2	Confident	23 Å²	23	68.5 Å²	68.5	14%	0.139	35%	0.354	C	S	.	.	H	α-helix	trans	-59.2	-50.9	177.6	172.8	0	0	0	0	110.1	L88 W89 L94 V95 H96 E97	L88-V92 HydrophobicContact CD1-CG2 3.96Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.83Å; W89-V92 PolarHBondContact O-N 3.11Å; V92-L94 VanDerWaalsContact C-N 3.3Å; V92-L94 PolarHBondContact O-N 3.14Å; V92-V95 PolarHBondContact O-N 3.13Å; V92-H96 HydrophobicContact CG1-CB 4.48Å; V92-H96 PolarHBondContact O-N 2.96Å; V92-E97 HydrophobicContact CG1-CG 3.98Å; V92-E97 WeakPolarHBondContact CG1-OE1 3.45Å; V92-E97 PolarHBondContact O-N 3.29Å
93	Q	84.6	Confident	85.6	Confident	30 Å²	30	67.1 Å²	67.1	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-33.8	178	-61.4	-59	-71.4	0	0	113.8	W89 E97 L112	W89-Q93 HydrophobicContact CD2-CG 3.97Å; W89-Q93 HydrophobicContact CE3-CG 4.29Å; W89-Q93 HydrophobicContact CH2-CG 4Å; W89-Q93 HydrophobicContact CZ2-CG 3.64Å; W89-Q93 HydrophobicContact CZ3-CG 4.31Å; W89-Q93 WeakPolarHBondContact O-CG 3.41Å; W89-Q93 PolarHBondContact O-N 3.26Å; Q93-E97 PolarHBondContact NE2-OE2 2.86Å; Q93-E97 CarbonylContact O-C 3.43Å; Q93-E97 VanDerWaalsContact O-O 3.06Å; Q93-L112 HydrophobicContact CB-CD2 3.89Å
94	L	81.5	Confident	85.9	Confident	57 Å²	57	67.5 Å²	67.5	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-92.7	-10.9	-175.2	-70.4	174.3	0	0	0	115	Y90 H91 V92 R111 L112	Y90-L94 WeakPolarHBondContact O-CB 3.38Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.29Å; H91-L94 PolarHBondContact O-N 3.31Å; V92-L94 VanDerWaalsContact C-N 3.3Å; V92-L94 PolarHBondContact O-N 3.14Å; L94-R111 HydrophobicContact CD2-CB 3.58Å; L94-L112 HydrophobicContact CD1-CD1 4.28Å; L94-L112 HydrophobicContact CD2-CD1 4.02Å; L94-L112 HydrophobicContact CD2-CD2 4.18Å; L94-L112 HydrophobicContact CD2-CG 3.8Å; L94-L112 HydrophobicContact CG-CD1 4.3Å; L94-L112 HydrophobicContact CG-CD2 4.4Å; L94-L112 HydrophobicContact CG-CG 4.38Å
95	V	84.9	Confident	86.1	Confident	78 Å²	78	70.2 Å²	70.2	47%	0.473	35%	0.354	S	S	.	.	H	α-helix	trans	-129.3	-39.2	-173.3	-177.6	0	0	0	0	113.4	H91 V92	H91-V95 WeakPolarHBondContact ND1-CG2 3.48Å; H91-V95 VanDerWaalsContact O-CB 3.3Å; H91-V95 WeakPolarHBondContact O-CB 3.41Å; H91-V95 WeakPolarHBondContact O-CG2 3.48Å; H91-V95 PolarHBondContact O-N 2.86Å; V92-V95 PolarHBondContact O-N 3.13Å
96	H	84.5	Confident	86.4	Confident	69 Å²	69	65.4 Å²	65.4	32%	0.319	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-38.6	-174.2	-63.3	-66.6	0	0	0	112.5	S77 C78 H91 V92	S77-H96 PolarHBondContact O-CE1 2.86Å; S77-H96 VanDerWaalsContact O-CE1 3.27Å; C78-H96 PolarHBondContact SG-NE2 3.48Å; C78-H96 VanDerWaalsContact SG-NE2 3.36Å; H91-H96 AromaticContact CE1-CD2 3.77Å; H91-H96 AromaticContact CE1-NE2 3.46Å; H91-H96 PolarHBondContact CE1-NE2 2.85Å; H91-H96 AromaticContact NE2-CD2 3.77Å; H91-H96 AromaticContact NE2-NE2 3.48Å; H91-H96 PolarHBondContact NE2-NE2 2.99Å; V92-H96 HydrophobicContact CG1-CB 4.48Å; V92-H96 PolarHBondContact O-N 2.96Å
97	E	83.7	Confident	86.7	Confident	113 Å²	113	69.2 Å²	69.2	53%	0.528	37%	0.368	S	S	.	.	S	Bend	trans	-109.5	50.9	178.6	-66.4	174.3	-157.1	0	0	110.3	V92 Q93 Q99	V92-E97 HydrophobicContact CG1-CG 3.98Å; V92-E97 WeakPolarHBondContact CG1-OE1 3.45Å; V92-E97 PolarHBondContact O-N 3.29Å; Q93-E97 PolarHBondContact NE2-OE2 2.86Å; Q93-E97 CarbonylContact O-C 3.43Å; Q93-E97 VanDerWaalsContact O-O 3.06Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 3.37Å
98	V	78.1	Confident	87.1	Confident	71 Å²	71	75.5 Å²	75.5	43%	0.43	39%	0.385	S	S	.	.			trans	-68	86.4	-171.2	-172.3	0	0	0	0	111.5
99	Q	82.4	Confident	87.2	Confident	113 Å²	113	77.7 Å²	77.7	53%	0.528	40%	0.4	S	S	.	.			trans	-92	130.3	172.5	-165.1	175	24.4	0	0	110.9	E97 Y101	E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 3.37Å; Q99-Y101 HydrophobicContact CB-CE2 4.14Å; Q99-Y101 HydrophobicContact CG-CE1 4.17Å; Q99-Y101 HydrophobicContact CG-CE2 4.36Å; Q99-Y101 VanDerWaalsContact OE1-CZ 3.29Å; Q99-Y101 PolarHBondContact OE1-OH 3.01Å
100	N	87.1	Confident	87.2	Confident	97 Å²	97	74.2 Å²	74.2	52%	0.519	39%	0.388	S	S	.	.			trans	-92.3	134.9	172.4	-80.6	-36.9	0	0	0	110.5	P102 T109	N100-P102 WeakPolarHBondContact O-CD 3.11Å; N100-T109 HydrophobicContact CB-CG2 3.59Å
101	Y	88.8	Confident	87.2	Confident	42 Å²	42	77.6 Å²	77.6	17%	0.165	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	93.3	176.5	-57.6	-81.1	0	0	0	108	Q99 F110 L112 K113	Q99-Y101 HydrophobicContact CB-CE2 4.14Å; Q99-Y101 HydrophobicContact CG-CE1 4.17Å; Q99-Y101 HydrophobicContact CG-CE2 4.36Å; Q99-Y101 VanDerWaalsContact OE1-CZ 3.29Å; Q99-Y101 PolarHBondContact OE1-OH 3.01Å; Y101-F110 WeakPolarHBondContact CD2-O 3.39Å; Y101-F110 PolarHBondContact N-O 3.28Å; Y101-F110 PolarHBondContact O-N 2.88Å; Y101-L112 VanDerWaalsContact CD2-C 3.43Å; Y101-K113 HydrophobicContact CD1-CB 4.08Å; Y101-K113 HydrophobicContact CD1-CG 4.45Å; Y101-K113 HydrophobicContact CD2-CB 4.4Å; Y101-K113 VanDerWaalsContact CD2-N 3.26Å; Y101-K113 HydrophobicContact CE1-CB 3.94Å; Y101-K113 HydrophobicContact CE1-CG 4.47Å; Y101-K113 HydrophobicContact CE2-CB 4.23Å; Y101-K113 VanDerWaalsContact CE2-N 3.29Å; Y101-K113 HydrophobicContact CG-CB 4.31Å
102	P	90.4	Very high	87.1	Confident	83 Å²	83	77.2 Å²	77.2	54%	0.539	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149.5	176.9	30.1	-34.4	0	0	0	110.8	N100 L116	N100-P102 WeakPolarHBondContact O-CD 3.11Å; P102-L116 VanDerWaalsContact O-CD2 3.28Å; P102-L116 WeakPolarHBondContact O-CD2 3.39Å
103	C	92.8	Very high	87	Confident	13 Å²	13	81.8 Å²	81.8	9%	0.088	42%	0.416	C	S	.	.			trans	-80.3	139.3	163.3	-172	0	0	0	0	109.4	Q105 R108 L116	C103-Q105 PolarHBondContact SG-N 2.68Å; C103-Q105 VanDerWaalsContact SG-N 3.4Å; C103-R108 WeakPolarHBondContact CB-O 3.35Å; C103-R108 PolarHBondContact N-O 2.83Å; C103-L116 HydrophobicContact CB-CD1 3.74Å
104	D	91.5	Very high	86.9	Confident	133 Å²	133	84.3 Å²	84.3	71%	0.711	43%	0.428	S	S	*	.	S	Bend	trans	-78.4	-25	173.5	55.1	-11.2	0	0	0	112.4
105	Q	88.6	Confident	87.1	Confident	107 Å²	107	87.5 Å²	87.5	50%	0.5	44%	0.437	S	S	.	.	S	Bend	trans	-101.6	-4.5	-175.2	-67.5	161.3	74.8	0	0	114.2	C103 H124	C103-Q105 PolarHBondContact SG-N 2.68Å; C103-Q105 VanDerWaalsContact SG-N 3.4Å; Q105-H124 VanDerWaalsContact CB-CE1 3.48Å; Q105-H124 WeakPolarHBondContact CB-CE1 3.4Å; Q105-H124 WeakPolarHBondContact CB-ND1 3.2Å; Q105-H124 PolarHBondContact O-CE1 2.72Å; Q105-H124 VanDerWaalsContact O-CE1 3.3Å
106	C	91.9	Very high	87.3	Confident	41 Å²	41	84.9 Å²	84.9	28%	0.277	42%	0.42	S	S	.	.	S	Bend	trans	-159	168.2	166.7	73.9	0	0	0	0	112.3	R108 H119 H124	C106-R108 PolarHBondContact O-N 3.39Å; C106-H119 PolarHBondContact SG-NE2 3.09Å; C106-H124 PolarHBondContact SG-NE2 2.9Å
107	S	91.2	Very high	87.3	Confident	129 Å²	129	85.1 Å²	85.1	90%	0.902	42%	0.423	S	S	*	.	S	Bend	trans	-69.9	16	-179	55.9	0	0	0	0	116.1
108	R	91.9	Very high	87.2	Confident	153 Å²	153	81.8 Å²	81.8	58%	0.577	42%	0.415	S	S	*	.			trans	-90.5	142	-179.8	-69.2	-172.4	172.2	-162.6	-1	112.2	C103 C106 F110	C103-R108 WeakPolarHBondContact CB-O 3.35Å; C103-R108 PolarHBondContact N-O 2.83Å; C106-R108 PolarHBondContact O-N 3.39Å; R108-F110 HydrophobicContact CB-CE2 3.76Å; R108-F110 HydrophobicContact CB-CZ 3.89Å
109	T	90.4	Very high	87.6	Confident	76 Å²	76	79.1 Å²	79.1	47%	0.466	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.1	-179.5	-52.6	0	0	0	0	110.6	N100	N100-T109 HydrophobicContact CB-CG2 3.59Å
110	F	88.5	Confident	87.9	Confident	39 Å²	39	74.6 Å²	74.6	17%	0.171	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.2	-174	-59.1	-91.1	0	0	0	110.8	Y101 R108 L112 L116 H119	Y101-F110 WeakPolarHBondContact CD2-O 3.39Å; Y101-F110 PolarHBondContact N-O 3.28Å; Y101-F110 PolarHBondContact O-N 2.88Å; R108-F110 HydrophobicContact CB-CE2 3.76Å; R108-F110 HydrophobicContact CB-CZ 3.89Å; F110-L112 VanDerWaalsContact C-N 3.31Å; F110-L112 PolarHBondContact O-N 3.4Å; F110-L116 HydrophobicContact CB-CB 4.24Å; F110-L116 HydrophobicContact CD2-CB 3.98Å; F110-L116 HydrophobicContact CD2-CD1 3.8Å; F110-L116 HydrophobicContact CE2-CD1 4.07Å; F110-L116 HydrophobicContact CG-CB 4.26Å; F110-H119 HydrophobicContact CE1-CB 3.83Å; F110-H119 HydrophobicContact CE2-CB 3.87Å; F110-H119 AromaticContact CE2-CD2 3.18Å; F110-H119 WeakPolarHBondContact CE2-CD2 3.34Å; F110-H119 AromaticContact CE2-CG 3.62Å; F110-H119 AromaticContact CE2-NE2 3.93Å; F110-H119 HydrophobicContact CZ-CB 3.4Å; F110-H119 VanDerWaalsContact CZ-CB 3.4Å; F110-H119 AromaticContact CZ-CD2 3.29Å; F110-H119 WeakPolarHBondContact CZ-CD2 3.44Å; F110-H119 AromaticContact CZ-CG 3.22Å; F110-H119 AromaticContact CZ-ND1 3.9Å; F110-H119 AromaticContact CZ-NE2 3.93Å
111	R	85.2	Confident	87.7	Confident	150 Å²	150	73.5 Å²	73.5	57%	0.566	37%	0.368	S	S	*	.	S	Bend	trans	-83.8	-1.7	178.8	-60.5	-172.4	-177.9	-167.8	0.4	114.8	L94	L94-R111 HydrophobicContact CD2-CB 3.58Å
112	L	84.2	Confident	87.1	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.021	37%	0.37	C	S	.	.	S	Bend	trans	-145.1	132.1	178.8	-68.3	171.2	0	0	0	109.9	Y90 Q93 L94 Y101 F110 Q114 Y115 L116	Y90-L112 HydrophobicContact CD1-CD1 3.71Å; Y90-L112 HydrophobicContact CD1-CD2 4.46Å; Y90-L112 HydrophobicContact CE1-CD1 3.72Å; Q93-L112 HydrophobicContact CB-CD2 3.89Å; L94-L112 HydrophobicContact CD1-CD1 4.28Å; L94-L112 HydrophobicContact CD2-CD1 4.02Å; L94-L112 HydrophobicContact CD2-CD2 4.18Å; L94-L112 HydrophobicContact CD2-CG 3.8Å; L94-L112 HydrophobicContact CG-CD1 4.3Å; L94-L112 HydrophobicContact CG-CD2 4.4Å; L94-L112 HydrophobicContact CG-CG 4.38Å; Y101-L112 VanDerWaalsContact CD2-C 3.43Å; F110-L112 VanDerWaalsContact C-N 3.31Å; F110-L112 PolarHBondContact O-N 3.4Å; L112-Q114 HydrophobicContact CB-CG 4.21Å; L112-Q114 PolarHBondContact O-N 3.42Å; L112-Q114 VanDerWaalsContact O-N 3.16Å; L112-Y115 HydrophobicContact CB-CD2 3.95Å; L112-Y115 HydrophobicContact CB-CE2 4.35Å; L112-Y115 HydrophobicContact CB-CG 4.37Å; L112-Y115 HydrophobicContact CD1-CD2 4.12Å; L112-Y115 HydrophobicContact CD1-CE2 3.65Å; L112-Y115 HydrophobicContact CG-CD2 4.47Å; L112-Y115 HydrophobicContact CG-CE2 4.45Å; L112-Y115 PolarHBondContact O-N 2.78Å; L112-L116 PolarHBondContact O-N 3.42Å
113	K	85.8	Confident	86.7	Confident	120 Å²	120	73.1 Å²	73.1	52%	0.522	37%	0.366	S	S	.	.	H	α-helix	trans	-52.4	-39.3	-178.6	-173.2	174.6	-179.3	175.6	0	113.3	Y101 Y115 L116 I117	Y101-K113 HydrophobicContact CD1-CB 4.08Å; Y101-K113 HydrophobicContact CD1-CG 4.45Å; Y101-K113 HydrophobicContact CD2-CB 4.4Å; Y101-K113 VanDerWaalsContact CD2-N 3.26Å; Y101-K113 HydrophobicContact CE1-CB 3.94Å; Y101-K113 HydrophobicContact CE1-CG 4.47Å; Y101-K113 HydrophobicContact CE2-CB 4.23Å; Y101-K113 VanDerWaalsContact CE2-N 3.29Å; Y101-K113 HydrophobicContact CG-CB 4.31Å; K113-Y115 VanDerWaalsContact C-N 3.26Å; K113-Y115 PolarHBondContact O-N 3.25Å; K113-L116 PolarHBondContact O-N 3.29Å; K113-I117 HydrophobicContact CG-CD1 4.07Å; K113-I117 WeakPolarHBondContact O-CG1 3.45Å; K113-I117 PolarHBondContact O-N 3.16Å
114	Q	81.6	Confident	86.3	Confident	82 Å²	82	75.1 Å²	75.1	38%	0.383	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-28.9	177.8	69	-175.8	10.7	0	0	113.8	Y90 L112 A118	Y90-Q114 VanDerWaalsContact CE1-NE2 3.35Å; Y90-Q114 PolarHBondContact OH-NE2 2.72Å; Y90-Q114 PolarHBondContact OH-OE1 2.83Å; L112-Q114 HydrophobicContact CB-CG 4.21Å; L112-Q114 PolarHBondContact O-N 3.42Å; L112-Q114 VanDerWaalsContact O-N 3.16Å; Q114-A118 WeakPolarHBondContact O-CB 3.28Å; Q114-A118 PolarHBondContact O-N 3.39Å
115	Y	85.7	Confident	85.8	Confident	124 Å²	124	72.1 Å²	72.1	49%	0.486	36%	0.356	S	S	.	.	H	α-helix	trans	-80.8	-32.4	176.7	-63.2	-24.5	0	0	0	111.9	L112 K113 H119	L112-Y115 HydrophobicContact CB-CD2 3.95Å; L112-Y115 HydrophobicContact CB-CE2 4.35Å; L112-Y115 HydrophobicContact CB-CG 4.37Å; L112-Y115 HydrophobicContact CD1-CD2 4.12Å; L112-Y115 HydrophobicContact CD1-CE2 3.65Å; L112-Y115 HydrophobicContact CG-CD2 4.47Å; L112-Y115 HydrophobicContact CG-CE2 4.45Å; L112-Y115 PolarHBondContact O-N 2.78Å; K113-Y115 VanDerWaalsContact C-N 3.26Å; K113-Y115 PolarHBondContact O-N 3.25Å; Y115-H119 VanDerWaalsContact O-CB 3.25Å; Y115-H119 WeakPolarHBondContact O-CB 3.33Å; Y115-H119 PolarHBondContact O-N 3.26Å
116	L	88.2	Confident	84.9	Confident	23 Å²	23	74.8 Å²	74.8	12%	0.12	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-48.9	167.9	174.2	61.9	0	0	0	110.8	P102 C103 F110 L112 K113 A118 H119 I120	P102-L116 VanDerWaalsContact O-CD2 3.28Å; P102-L116 WeakPolarHBondContact O-CD2 3.39Å; C103-L116 HydrophobicContact CB-CD1 3.74Å; F110-L116 HydrophobicContact CB-CB 4.24Å; F110-L116 HydrophobicContact CD2-CB 3.98Å; F110-L116 HydrophobicContact CD2-CD1 3.8Å; F110-L116 HydrophobicContact CE2-CD1 4.07Å; F110-L116 HydrophobicContact CG-CB 4.26Å; L112-L116 PolarHBondContact O-N 3.42Å; K113-L116 PolarHBondContact O-N 3.29Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-A118 PolarHBondContact O-N 3.33Å; L116-H119 WeakPolarHBondContact O-CB 3.34Å; L116-H119 PolarHBondContact O-N 3.4Å; L116-H119 VanDerWaalsContact O-N 3.09Å; L116-I120 HydrophobicContact CD1-CD1 3.85Å; L116-I120 HydrophobicContact CD1-CG1 3.99Å; L116-I120 HydrophobicContact CG-CD1 3.94Å; L116-I120 HydrophobicContact CG-CG1 4.45Å; L116-I120 WeakPolarHBondContact O-CG1 3.45Å; L116-I120 PolarHBondContact O-N 2.6Å
117	I	85.7	Confident	83.9	Confident	75 Å²	75	79.8 Å²	79.8	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-58.4	-47.1	178.2	-66.8	166.3	0	0	0	110.8	K113 H119 I120 Q121	K113-I117 HydrophobicContact CG-CD1 4.07Å; K113-I117 WeakPolarHBondContact O-CG1 3.45Å; K113-I117 PolarHBondContact O-N 3.16Å; I117-H119 VanDerWaalsContact C-N 3.32Å; I117-H119 PolarHBondContact O-N 3.32Å; I117-I120 PolarHBondContact O-N 2.82Å; I117-Q121 WeakPolarHBondContact O-CB 3.24Å; I117-Q121 WeakPolarHBondContact O-CG 3.41Å; I117-Q121 PolarHBondContact O-N 2.94Å
118	A	82.2	Confident	83.3	Confident	43 Å²	43	77.7 Å²	77.7	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-40.1	175.6	0	0	0	0	0	111.9	Q114 L116 Q122	Q114-A118 WeakPolarHBondContact O-CB 3.28Å; Q114-A118 PolarHBondContact O-N 3.39Å; L116-A118 VanDerWaalsContact C-N 3.35Å; L116-A118 PolarHBondContact O-N 3.33Å; A118-Q122 WeakPolarHBondContact O-CB 3.3Å; A118-Q122 WeakPolarHBondContact O-CG 3.46Å; A118-Q122 PolarHBondContact O-N 2.8Å
119	H	86.3	Confident	82.7	Confident	14 Å²	14	71.2 Å²	71.2	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-47	176.6	165.9	55.5	0	0	0	112.8	C106 F110 Y115 L116 I117 Q122 V123 H124	C106-H119 PolarHBondContact SG-NE2 3.09Å; F110-H119 HydrophobicContact CE1-CB 3.83Å; F110-H119 HydrophobicContact CE2-CB 3.87Å; F110-H119 AromaticContact CE2-CD2 3.18Å; F110-H119 WeakPolarHBondContact CE2-CD2 3.34Å; F110-H119 AromaticContact CE2-CG 3.62Å; F110-H119 AromaticContact CE2-NE2 3.93Å; F110-H119 HydrophobicContact CZ-CB 3.4Å; F110-H119 VanDerWaalsContact CZ-CB 3.4Å; F110-H119 AromaticContact CZ-CD2 3.29Å; F110-H119 WeakPolarHBondContact CZ-CD2 3.44Å; F110-H119 AromaticContact CZ-CG 3.22Å; F110-H119 AromaticContact CZ-ND1 3.9Å; F110-H119 AromaticContact CZ-NE2 3.93Å; Y115-H119 VanDerWaalsContact O-CB 3.25Å; Y115-H119 WeakPolarHBondContact O-CB 3.33Å; Y115-H119 PolarHBondContact O-N 3.26Å; L116-H119 WeakPolarHBondContact O-CB 3.34Å; L116-H119 PolarHBondContact O-N 3.4Å; L116-H119 VanDerWaalsContact O-N 3.09Å; I117-H119 VanDerWaalsContact C-N 3.32Å; I117-H119 PolarHBondContact O-N 3.32Å; H119-Q122 PolarHBondContact O-N 3.07Å; H119-V123 VanDerWaalsContact ND1-CG2 3.3Å; H119-V123 WeakPolarHBondContact ND1-CG2 3.44Å; H119-V123 WeakPolarHBondContact O-CB 3.44Å; H119-V123 PolarHBondContact O-N 3.46Å; H119-H124 AromaticContact CE1-CD2 3.9Å; H119-H124 AromaticContact CE1-NE2 3.6Å; H119-H124 AromaticContact NE2-CD2 3.78Å; H119-H124 AromaticContact NE2-NE2 3.42Å; H119-H124 PolarHBondContact NE2-NE2 3.1Å
120	I	87.2	Confident	82.2	Confident	18 Å²	18	74 Å²	74	9%	0.092	34%	0.342	C	S	.	.	I	π-helix	trans	-58.6	-51	177	-66.6	172.3	0	0	0	109.7	L116 I117 Q122 H124 E125	L116-I120 HydrophobicContact CD1-CD1 3.85Å; L116-I120 HydrophobicContact CD1-CG1 3.99Å; L116-I120 HydrophobicContact CG-CD1 3.94Å; L116-I120 HydrophobicContact CG-CG1 4.45Å; L116-I120 WeakPolarHBondContact O-CG1 3.45Å; L116-I120 PolarHBondContact O-N 2.6Å; I117-I120 PolarHBondContact O-N 2.82Å; I120-Q122 VanDerWaalsContact C-N 3.26Å; I120-Q122 PolarHBondContact O-N 2.92Å; I120-H124 HydrophobicContact CG2-CB 4.4Å; I120-H124 WeakPolarHBondContact O-CA 3.21Å; I120-H124 WeakPolarHBondContact O-CB 3.23Å; I120-H124 PolarHBondContact O-N 3.02Å; I120-E125 HydrophobicContact CG2-CG 4.18Å; I120-E125 PolarHBondContact O-N 2.87Å
121	Q	82.8	Confident	82	Confident	74 Å²	74	72.1 Å²	72.1	35%	0.346	33%	0.334	S	S	.	.	I	π-helix	trans	-56.8	-37.8	178.7	-73.8	177.1	-7	0	0	113	I117 K126 R127	I117-Q121 WeakPolarHBondContact O-CB 3.24Å; I117-Q121 WeakPolarHBondContact O-CG 3.41Å; I117-Q121 PolarHBondContact O-N 2.94Å; Q121-K126 PolarHBondContact O-N 3.45Å; Q121-R127 PolarHBondContact O-N 3.47Å
122	Q	77.8	Confident	82	Confident	40 Å²	40	73.9 Å²	73.9	19%	0.187	35%	0.349	C	S	.	.	I	π-helix	trans	-92.3	-34	-173.3	-63.4	-47.9	-48.5	0	0	115.2	A118 H119 I120 R127 A139	A118-Q122 WeakPolarHBondContact O-CB 3.3Å; A118-Q122 WeakPolarHBondContact O-CG 3.46Å; A118-Q122 PolarHBondContact O-N 2.8Å; H119-Q122 PolarHBondContact O-N 3.07Å; I120-Q122 VanDerWaalsContact C-N 3.26Å; I120-Q122 PolarHBondContact O-N 2.92Å; Q122-R127 PolarHBondContact NE2-O 3.21Å; Q122-A139 HydrophobicContact CG-CB 4.48Å; Q122-A139 WeakPolarHBondContact CG-O 3.29Å; Q122-A139 PolarHBondContact OE1-O 3.21Å
123	V	82	Confident	81.5	Confident	78 Å²	78	79.4 Å²	79.4	47%	0.473	38%	0.377	S	S	.	.	I	π-helix	trans	-98.3	-38.6	-175.4	-179.8	0	0	0	0	111.5	H119	H119-V123 VanDerWaalsContact ND1-CG2 3.3Å; H119-V123 WeakPolarHBondContact ND1-CG2 3.44Å; H119-V123 WeakPolarHBondContact O-CB 3.44Å; H119-V123 PolarHBondContact O-N 3.46Å
124	H	83.1	Confident	81.1	Confident	55 Å²	55	76.5 Å²	76.5	26%	0.255	37%	0.371	S	S	.	.	I	π-helix	trans	-100.2	-50.3	-171.8	-65.8	-75.3	0	0	0	112.2	Q105 C106 H119 I120 K126	Q105-H124 VanDerWaalsContact CB-CE1 3.48Å; Q105-H124 WeakPolarHBondContact CB-CE1 3.4Å; Q105-H124 WeakPolarHBondContact CB-ND1 3.2Å; Q105-H124 PolarHBondContact O-CE1 2.72Å; Q105-H124 VanDerWaalsContact O-CE1 3.3Å; C106-H124 PolarHBondContact SG-NE2 2.9Å; H119-H124 AromaticContact CE1-CD2 3.9Å; H119-H124 AromaticContact CE1-NE2 3.6Å; H119-H124 AromaticContact NE2-CD2 3.78Å; H119-H124 AromaticContact NE2-NE2 3.42Å; H119-H124 PolarHBondContact NE2-NE2 3.1Å; I120-H124 HydrophobicContact CG2-CB 4.4Å; I120-H124 WeakPolarHBondContact O-CA 3.21Å; I120-H124 WeakPolarHBondContact O-CB 3.23Å; I120-H124 PolarHBondContact O-N 3.02Å; H124-K126 VanDerWaalsContact C-N 3.34Å
125	E	82	Confident	81.1	Confident	69 Å²	69	74.1 Å²	74.1	32%	0.322	37%	0.368	S	S	.	.	S	Bend	trans	-79.5	-15	176.2	-59.3	175.3	-168	0	0	113.3	Y24 I120 R127	Y24-E125 PolarHBondContact OH-OE1 2.83Å; Y24-E125 VanDerWaalsContact OH-OE1 3.1Å; I120-E125 HydrophobicContact CG2-CG 4.18Å; I120-E125 PolarHBondContact O-N 2.87Å; E125-R127 HydrophobicContact CB-CB 4.09Å; E125-R127 PolarHBondContact O-N 2.8Å
126	K	70.3	Confident	80.7	Confident	164 Å²	164	71.3 Å²	71.3	71%	0.713	37%	0.365	S	S	*	.			trans	47.6	30.9	-170.3	-63.9	179.5	179.9	172.5	0	113.5	Q121 H124 L128	Q121-K126 PolarHBondContact O-N 3.45Å; H124-K126 VanDerWaalsContact C-N 3.34Å; K126-L128 PolarHBondContact O-N 2.84Å
127	R	69.5	Low	80.5	Confident	145 Å²	145	74 Å²	74	55%	0.547	38%	0.382	S	S	.	.			trans	-76.9	73.9	-177.1	-163.6	171.8	-175.4	170.2	2	110.5	Q121 Q122 E125	Q121-R127 PolarHBondContact O-N 3.47Å; Q122-R127 PolarHBondContact NE2-O 3.21Å; E125-R127 HydrophobicContact CB-CB 4.09Å; E125-R127 PolarHBondContact O-N 2.8Å
128	L	78.8	Confident	80.3	Confident	85 Å²	85	72.2 Å²	72.2	45%	0.445	37%	0.371	S	S	.	.			trans	-69.1	135.5	172.9	-60	174.8	0	0	0	109.8	K126 K130 T137 F138	K126-L128 PolarHBondContact O-N 2.84Å; L128-K130 PolarHBondContact O-N 3.35Å; L128-T137 HydrophobicContact CB-CG2 4.43Å; L128-T137 HydrophobicContact CD1-CG2 4.44Å; L128-F138 WeakPolarHBondContact CA-O 3.38Å
129	A	79.5	Confident	80.1	Confident	18 Å²	18	73 Å²	73	15%	0.149	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	111.3	171.8	0	0	0	0	0	108.6	F138 L144	A129-F138 PolarHBondContact N-O 3.5Å; A129-F138 PolarHBondContact O-N 3.22Å; A129-L144 HydrophobicContact CB-CB 3.82Å; A129-L144 HydrophobicContact CB-CD2 3.75Å; A129-L144 HydrophobicContact CB-CG 4.4Å
130	K	81	Confident	79.7	Confident	133 Å²	133	74 Å²	74	58%	0.578	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.5	-179.9	-173.8	-178.8	175.2	-173.9	0	110.4	L128 T137 L144	L128-K130 PolarHBondContact O-N 3.35Å; K130-T137 HydrophobicContact CB-CG2 4.19Å; K130-T137 HydrophobicContact CG-CG2 4.15Å; K130-L144 WeakPolarHBondContact O-CD2 3.4Å
131	C	82.9	Confident	79.4	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	41%	0.408	C	S	.	.			trans	-74.9	124.9	166.4	-175.5	0	0	0	0	109.6	I133 G135 T136 F138 L144 H152	C131-I133 VanDerWaalsContact C-N 3.28Å; C131-I133 PolarHBondContact O-N 3.49Å; C131-G135 WeakPolarHBondContact O-CA 3.35Å; C131-G135 PolarHBondContact O-N 3.42Å; C131-T136 PolarHBondContact N-O 3.06Å; C131-F138 HydrophobicContact CB-CE2 4.33Å; C131-L144 VanDerWaalsContact CA-CD1 3.48Å; C131-L144 HydrophobicContact CB-CD1 3.51Å; C131-H152 VanDerWaalsContact SG-CD2 3.54Å
132	E	84.9	Confident	79.3	Confident	188 Å²	188	76.6 Å²	76.6	88%	0.879	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.7	-179.5	-61.8	-174.5	162.7	0	0	112.3
133	I	75.3	Confident	79.5	Confident	119 Å²	119	78.1 Å²	78.1	61%	0.61	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-43	-176.1	-55.8	171.5	0	0	0	112.2	C131 H152	C131-I133 VanDerWaalsContact C-N 3.28Å; C131-I133 PolarHBondContact O-N 3.49Å; I133-H152 HydrophobicContact CD1-CB 3.6Å
134	C	77.1	Confident	79.6	Confident	59 Å²	59	74.9 Å²	74.9	40%	0.399	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	0.4	-177.6	70.7	0	0	0	0	114.9	T136 H147 H152	C134-T136 PolarHBondContact O-N 2.87Å; C134-T136 VanDerWaalsContact O-N 3.12Å; C134-T136 PolarHBondContact SG-OG1 3Å; C134-H147 VanDerWaalsContact SG-CE1 3.59Å; C134-H147 PolarHBondContact SG-NE2 3.07Å; C134-H152 PolarHBondContact SG-NE2 3.41Å; C134-H152 VanDerWaalsContact SG-NE2 3.39Å
135	G	80	Confident	79.5	Confident	32 Å²	32	78.6 Å²	78.6	33%	0.33	42%	0.417	S	S	.	.			trans	73.4	-6.8	-179.2	0	0	0	0	0	116.1	C131 T137	C131-G135 WeakPolarHBondContact O-CA 3.35Å; C131-G135 PolarHBondContact O-N 3.42Å; G135-T137 PolarHBondContact O-N 3.2Å
136	T	78.5	Confident	79.5	Confident	66 Å²	66	82.2 Å²	82.2	41%	0.405	43%	0.432	S	S	.	.			trans	-62.4	134.6	-178.1	-55.7	0	0	0	0	111.3	C131 C134 F138	C131-T136 PolarHBondContact N-O 3.06Å; C134-T136 PolarHBondContact O-N 2.87Å; C134-T136 VanDerWaalsContact O-N 3.12Å; C134-T136 PolarHBondContact SG-OG1 3Å; T136-F138 HydrophobicContact CG2-CE1 4.21Å; T136-F138 HydrophobicContact CG2-CE2 3.63Å; T136-F138 HydrophobicContact CG2-CZ 3.4Å; T136-F138 WeakPolarHBondContact O-CD2 3.26Å; T136-F138 WeakPolarHBondContact O-CE2 3.49Å
137	T	84.4	Confident	80.1	Confident	78 Å²	78	75.6 Å²	75.6	48%	0.479	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.1	-178	52.2	0	0	0	0	112.4	L128 K130 G135	L128-T137 HydrophobicContact CB-CG2 4.43Å; L128-T137 HydrophobicContact CD1-CG2 4.44Å; K130-T137 HydrophobicContact CB-CG2 4.19Å; K130-T137 HydrophobicContact CG-CG2 4.15Å; G135-T137 PolarHBondContact O-N 3.2Å
138	F	80.5	Confident	80.7	Confident	38 Å²	38	71.4 Å²	71.4	17%	0.167	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.6	-173.9	-66.3	-83	0	0	0	112.8	L128 A129 C131 T136 S140 N143 L144 H147	L128-F138 WeakPolarHBondContact CA-O 3.38Å; A129-F138 PolarHBondContact N-O 3.5Å; A129-F138 PolarHBondContact O-N 3.22Å; C131-F138 HydrophobicContact CB-CE2 4.33Å; T136-F138 HydrophobicContact CG2-CE1 4.21Å; T136-F138 HydrophobicContact CG2-CE2 3.63Å; T136-F138 HydrophobicContact CG2-CZ 3.4Å; T136-F138 WeakPolarHBondContact O-CD2 3.26Å; T136-F138 WeakPolarHBondContact O-CE2 3.49Å; F138-S140 PolarHBondContact O-N 3.28Å; F138-N143 HydrophobicContact CB-CB 4.19Å; F138-N143 HydrophobicContact CD1-CB 4.17Å; F138-N143 HydrophobicContact CG-CB 4.5Å; F138-L144 HydrophobicContact CB-CB 4.19Å; F138-L144 HydrophobicContact CD2-CB 4.05Å; F138-L144 HydrophobicContact CD2-CD1 3.69Å; F138-L144 HydrophobicContact CD2-CG 4.49Å; F138-L144 HydrophobicContact CE2-CD1 4Å; F138-L144 HydrophobicContact CG-CB 4.28Å; F138-H147 HydrophobicContact CD1-CB 4.41Å; F138-H147 HydrophobicContact CE1-CB 3.68Å; F138-H147 AromaticContact CE1-CG 3.91Å; F138-H147 HydrophobicContact CE2-CB 3.84Å; F138-H147 AromaticContact CE2-CD2 3.29Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.41Å; F138-H147 AromaticContact CE2-CG 3.48Å; F138-H147 VanDerWaalsContact CE2-CG 3.48Å; F138-H147 AromaticContact CE2-NE2 3.82Å; F138-H147 HydrophobicContact CZ-CB 3.37Å; F138-H147 AromaticContact CZ-CD2 3.44Å; F138-H147 VanDerWaalsContact CZ-CD2 3.44Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.35Å; F138-H147 AromaticContact CZ-CE1 3.87Å; F138-H147 AromaticContact CZ-CG 3.09Å; F138-H147 AromaticContact CZ-ND1 3.41Å; F138-H147 WeakPolarHBondContact CZ-ND1 3.49Å; F138-H147 AromaticContact CZ-NE2 3.9Å
139	A	78.2	Confident	80.7	Confident	59 Å²	59	75.6 Å²	75.6	49%	0.488	40%	0.404	S	S	.	.	S	Bend	trans	-73.5	16.7	177.8	0	0	0	0	0	115	Q122	Q122-A139 HydrophobicContact CG-CB 4.48Å; Q122-A139 WeakPolarHBondContact CG-O 3.29Å; Q122-A139 PolarHBondContact OE1-O 3.21Å
140	S	78.7	Confident	80.3	Confident	36 Å²	36	76.3 Å²	76.3	25%	0.252	41%	0.408	S	S	.	.	S	Bend	trans	-174.5	153.5	165.5	59.6	0	0	0	0	110.9	F138 G142 N143 L144	F138-S140 PolarHBondContact O-N 3.28Å; S140-G142 PolarHBondContact O-N 3.29Å; S140-N143 PolarHBondContact O-N 2.77Å; S140-N143 VanDerWaalsContact O-N 3.08Å; S140-N143 WeakPolarHBondContact OG-CB 3.48Å; S140-N143 VanDerWaalsContact OG-CG 3.26Å; S140-N143 PolarHBondContact OG-N 3.32Å; S140-N143 VanDerWaalsContact OG-N 3.12Å; S140-N143 PolarHBondContact OG-ND2 2.89Å; S140-L144 PolarHBondContact O-N 2.88Å
141	L	79.7	Confident	79.9	Confident	105 Å²	105	74.2 Å²	74.2	55%	0.55	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-32.1	170.3	-174.7	64.7	0	0	0	112.5	L144 K145	L141-L144 HydrophobicContact CD1-CD2 4.3Å; L141-L144 PolarHBondContact O-N 3.28Å; L141-K145 HydrophobicContact CG-CD 4.5Å; L141-K145 WeakPolarHBondContact O-CB 3.26Å; L141-K145 WeakPolarHBondContact O-CG 3.25Å; L141-K145 PolarHBondContact O-N 3.17Å
142	G	81	Confident	79.5	Confident	42 Å²	42	77 Å²	77	43%	0.433	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-34.6	175.7	0	0	0	0	0	113.2	S140 K146	S140-G142 PolarHBondContact O-N 3.29Å; G142-K146 VanDerWaalsContact O-CG 3.31Å; G142-K146 WeakPolarHBondContact O-CG 3.48Å; G142-K146 PolarHBondContact O-N 3.5Å
143	N	82.7	Confident	78.6	Confident	71 Å²	71	70.2 Å²	70.2	38%	0.38	40%	0.396	S	S	.	.	H	α-helix	trans	-76.2	-38.8	173.9	-71.5	-15.1	0	0	0	111.5	F138 S140 K146 H147	F138-N143 HydrophobicContact CB-CB 4.19Å; F138-N143 HydrophobicContact CD1-CB 4.17Å; F138-N143 HydrophobicContact CG-CB 4.5Å; S140-N143 PolarHBondContact O-N 2.77Å; S140-N143 VanDerWaalsContact O-N 3.08Å; S140-N143 WeakPolarHBondContact OG-CB 3.48Å; S140-N143 VanDerWaalsContact OG-CG 3.26Å; S140-N143 PolarHBondContact OG-N 3.32Å; S140-N143 VanDerWaalsContact OG-N 3.12Å; S140-N143 PolarHBondContact OG-ND2 2.89Å; N143-K146 PolarHBondContact O-N 3.15Å; N143-H147 WeakPolarHBondContact O-CB 3.36Å; N143-H147 PolarHBondContact O-N 3.43Å
144	L	82.9	Confident	77.7	Confident	11 Å²	11	68.4 Å²	68.4	6%	0.058	41%	0.406	C	S	.	.	H	α-helix	trans	-56.7	-53.5	171.8	174	59.4	0	0	0	111.1	A129 K130 C131 F138 S140 L141 K146 H147 E148	A129-L144 HydrophobicContact CB-CB 3.82Å; A129-L144 HydrophobicContact CB-CD2 3.75Å; A129-L144 HydrophobicContact CB-CG 4.4Å; K130-L144 WeakPolarHBondContact O-CD2 3.4Å; C131-L144 VanDerWaalsContact CA-CD1 3.48Å; C131-L144 HydrophobicContact CB-CD1 3.51Å; F138-L144 HydrophobicContact CB-CB 4.19Å; F138-L144 HydrophobicContact CD2-CB 4.05Å; F138-L144 HydrophobicContact CD2-CD1 3.69Å; F138-L144 HydrophobicContact CD2-CG 4.49Å; F138-L144 HydrophobicContact CE2-CD1 4Å; F138-L144 HydrophobicContact CG-CB 4.28Å; S140-L144 PolarHBondContact O-N 2.88Å; L141-L144 HydrophobicContact CD1-CD2 4.3Å; L141-L144 PolarHBondContact O-N 3.28Å; L144-K146 PolarHBondContact O-N 2.86Å; L144-H147 CarbonylContact O-C 3.32Å; L144-H147 WeakPolarHBondContact O-CA 3.33Å; L144-H147 WeakPolarHBondContact O-CB 3.47Å; L144-H147 PolarHBondContact O-N 2.77Å; L144-E148 HydrophobicContact CD1-CG 3.74Å; L144-E148 WeakPolarHBondContact CD1-OE1 3.19Å; L144-E148 HydrophobicContact CG-CG 4.22Å; L144-E148 WeakPolarHBondContact O-CG 3.19Å; L144-E148 PolarHBondContact O-N 2.87Å
145	K	82.8	Confident	76.8	Confident	132 Å²	132	75.7 Å²	75.7	57%	0.574	43%	0.426	S	S	*	.	H	α-helix	trans	-59.2	-32.9	178.7	-73.6	-176.4	177.4	-170.9	0	113.6	L141 K149	L141-K145 HydrophobicContact CG-CD 4.5Å; L141-K145 WeakPolarHBondContact O-CB 3.26Å; L141-K145 WeakPolarHBondContact O-CG 3.25Å; L141-K145 PolarHBondContact O-N 3.17Å; K145-K149 VanDerWaalsContact O-CB 3.23Å; K145-K149 WeakPolarHBondContact O-CB 3.49Å; K145-K149 PolarHBondContact O-N 3.37Å; K145-K149 VanDerWaalsContact O-N 3.08Å
146	K	81.3	Confident	76.3	Confident	146 Å²	146	77.6 Å²	77.6	64%	0.635	43%	0.428	S	S	*	.	H	α-helix	trans	-69	-43.3	173.1	-77.8	172.9	-177.5	174.7	0	111.7	G142 N143 L144 S150	G142-K146 VanDerWaalsContact O-CG 3.31Å; G142-K146 WeakPolarHBondContact O-CG 3.48Å; G142-K146 PolarHBondContact O-N 3.5Å; N143-K146 PolarHBondContact O-N 3.15Å; L144-K146 PolarHBondContact O-N 2.86Å; K146-S150 VanDerWaalsContact O-CB 3.23Å; K146-S150 WeakPolarHBondContact O-CB 3.33Å; K146-S150 PolarHBondContact O-N 2.92Å; K146-S150 PolarHBondContact O-OG 3.1Å; K146-S150 VanDerWaalsContact O-OG 3.1Å
147	H	82.7	Confident	76.1	Confident	24 Å²	24	77.6 Å²	77.6	11%	0.111	42%	0.422	C	S	.	.	H	α-helix	trans	-63.7	-50.8	175.8	159.7	79.9	0	0	0	111.3	C134 F138 N143 L144 K149 S150 I151 H152	C134-H147 VanDerWaalsContact SG-CE1 3.59Å; C134-H147 PolarHBondContact SG-NE2 3.07Å; F138-H147 HydrophobicContact CD1-CB 4.41Å; F138-H147 HydrophobicContact CE1-CB 3.68Å; F138-H147 AromaticContact CE1-CG 3.91Å; F138-H147 HydrophobicContact CE2-CB 3.84Å; F138-H147 AromaticContact CE2-CD2 3.29Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.41Å; F138-H147 AromaticContact CE2-CG 3.48Å; F138-H147 VanDerWaalsContact CE2-CG 3.48Å; F138-H147 AromaticContact CE2-NE2 3.82Å; F138-H147 HydrophobicContact CZ-CB 3.37Å; F138-H147 AromaticContact CZ-CD2 3.44Å; F138-H147 VanDerWaalsContact CZ-CD2 3.44Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.35Å; F138-H147 AromaticContact CZ-CE1 3.87Å; F138-H147 AromaticContact CZ-CG 3.09Å; F138-H147 AromaticContact CZ-ND1 3.41Å; F138-H147 WeakPolarHBondContact CZ-ND1 3.49Å; F138-H147 AromaticContact CZ-NE2 3.9Å; N143-H147 WeakPolarHBondContact O-CB 3.36Å; N143-H147 PolarHBondContact O-N 3.43Å; L144-H147 CarbonylContact O-C 3.32Å; L144-H147 WeakPolarHBondContact O-CA 3.33Å; L144-H147 WeakPolarHBondContact O-CB 3.47Å; L144-H147 PolarHBondContact O-N 2.77Å; H147-K149 VanDerWaalsContact C-N 3.34Å; H147-K149 PolarHBondContact O-N 3.36Å; H147-S150 PolarHBondContact O-N 3.47Å; H147-S150 PolarHBondContact O-OG 3.24Å; H147-S150 VanDerWaalsContact O-OG 3.08Å; H147-I151 VanDerWaalsContact ND1-CG1 3.32Å; H147-I151 WeakPolarHBondContact ND1-CG1 3.5Å; H147-I151 WeakPolarHBondContact O-CB 3.49Å; H147-I151 WeakPolarHBondContact O-CG1 3.38Å; H147-I151 PolarHBondContact O-N 3.47Å; H147-H152 AromaticContact CE1-NE2 3.93Å; H147-H152 AromaticContact NE2-CD2 3.77Å; H147-H152 AromaticContact NE2-NE2 3.48Å; H147-H152 PolarHBondContact NE2-NE2 2.81Å
148	E	81	Confident	75.8	Confident	58 Å²	58	78.5 Å²	78.5	27%	0.271	42%	0.424	S	S	.	.	I	π-helix	trans	-56.6	-49.6	177.6	-71.3	170.2	152.8	0	0	110.5	L144 S150 H152 G153	L144-E148 HydrophobicContact CD1-CG 3.74Å; L144-E148 WeakPolarHBondContact CD1-OE1 3.19Å; L144-E148 HydrophobicContact CG-CG 4.22Å; L144-E148 WeakPolarHBondContact O-CG 3.19Å; L144-E148 PolarHBondContact O-N 2.87Å; E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 2.78Å; E148-H152 CarbonylContact O-C 3.54Å; E148-H152 VanDerWaalsContact O-CA 3.29Å; E148-H152 WeakPolarHBondContact O-CA 3.32Å; E148-H152 WeakPolarHBondContact O-CB 3.48Å; E148-H152 PolarHBondContact O-N 2.88Å; E148-G153 PolarHBondContact O-N 3.43Å
149	K	80.3	Confident	75.7	Confident	172 Å²	172	77.2 Å²	77.2	75%	0.748	42%	0.42	S	S	*	.	I	π-helix	trans	-60.4	-34.4	177	-177.3	169.7	-178.7	171.8	0	113.5	K145 H147 G153	K145-K149 VanDerWaalsContact O-CB 3.23Å; K145-K149 WeakPolarHBondContact O-CB 3.49Å; K145-K149 PolarHBondContact O-N 3.37Å; K145-K149 VanDerWaalsContact O-N 3.08Å; H147-K149 VanDerWaalsContact C-N 3.34Å; H147-K149 PolarHBondContact O-N 3.36Å; K149-G153 WeakPolarHBondContact O-CA 3.34Å
150	S	71.1	Confident	75.9	Confident	33 Å²	33	79.6 Å²	79.6	23%	0.231	43%	0.431	C	S	.	.	I	π-helix	trans	-85.4	-40.5	-175.2	73.5	0	0	0	0	112.9	K146 H147 E148 T167	K146-S150 VanDerWaalsContact O-CB 3.23Å; K146-S150 WeakPolarHBondContact O-CB 3.33Å; K146-S150 PolarHBondContact O-N 2.92Å; K146-S150 PolarHBondContact O-OG 3.1Å; K146-S150 VanDerWaalsContact O-OG 3.1Å; H147-S150 PolarHBondContact O-N 3.47Å; H147-S150 PolarHBondContact O-OG 3.24Å; H147-S150 VanDerWaalsContact O-OG 3.08Å; E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 2.78Å; S150-T167 WeakPolarHBondContact O-CB 3.39Å; S150-T167 WeakPolarHBondContact O-CG2 3.42Å
151	I	71.1	Confident	75.9	Confident	89 Å²	89	81.4 Å²	81.4	46%	0.456	44%	0.443	S	S	.	.	I	π-helix	trans	-94.9	-38.2	-175.3	-51.8	-48.6	0	0	0	112.2	H147 T167	H147-I151 VanDerWaalsContact ND1-CG1 3.32Å; H147-I151 WeakPolarHBondContact ND1-CG1 3.5Å; H147-I151 WeakPolarHBondContact O-CB 3.49Å; H147-I151 WeakPolarHBondContact O-CG1 3.38Å; H147-I151 PolarHBondContact O-N 3.47Å; I151-T167 HydrophobicContact CD1-CG2 3.93Å
152	H	75.2	Confident	76	Confident	59 Å²	59	78.4 Å²	78.4	27%	0.273	43%	0.431	S	S	.	.	I	π-helix	trans	-113.6	-14.9	-172.3	-56	-53.8	0	0	0	113.6	C131 I133 C134 H147 E148 G154	C131-H152 VanDerWaalsContact SG-CD2 3.54Å; I133-H152 HydrophobicContact CD1-CB 3.6Å; C134-H152 PolarHBondContact SG-NE2 3.41Å; C134-H152 VanDerWaalsContact SG-NE2 3.39Å; H147-H152 AromaticContact CE1-NE2 3.93Å; H147-H152 AromaticContact NE2-CD2 3.77Å; H147-H152 AromaticContact NE2-NE2 3.48Å; H147-H152 PolarHBondContact NE2-NE2 2.81Å; E148-H152 CarbonylContact O-C 3.54Å; E148-H152 VanDerWaalsContact O-CA 3.29Å; E148-H152 WeakPolarHBondContact O-CA 3.32Å; E148-H152 WeakPolarHBondContact O-CB 3.48Å; E148-H152 PolarHBondContact O-N 2.88Å; H152-G154 PolarHBondContact O-N 2.88Å
153	G	65.6	Low	75.9	Confident	46 Å²	46	84.6 Å²	84.6	47%	0.474	45%	0.453	S	S	.	.	S	Bend	trans	-74.2	19.6	-172.8	0	0	0	0	0	116.4	E148 K149 R155	E148-G153 PolarHBondContact O-N 3.43Å; K149-G153 WeakPolarHBondContact O-CA 3.34Å; G153-R155 PolarHBondContact O-N 3.44Å
154	G	57.1	Low	75.5	Confident	80 Å²	80	88.9 Å²	88.9	83%	0.825	46%	0.464	S	S	*	.	S	Bend	trans	66.4	-12.3	162.7	0	0	0	0	0	118.7	H152	H152-G154 PolarHBondContact O-N 2.88Å
155	R	57.6	Low	75.3	Confident	213 Å²	213	91.1 Å²	91.1	80%	0.804	48%	0.481	S	S	*	.			trans	-116.8	80.2	178.8	-164.6	173.9	-107.1	-166.1	-3.2	111.2	G153	G153-R155 PolarHBondContact O-N 3.44Å
156	L	69.2	Low	74.9	Confident	72 Å²	72	86.8 Å²	86.8	38%	0.377	46%	0.462	S	S	.	.			trans	-68.2	159.8	163.9	-54.7	175.1	0	0	0	109.7	F166 T167	L156-F166 CarbonylContact C-O 3.6Å; L156-F166 WeakPolarHBondContact CA-O 3.22Å; L156-T167 HydrophobicContact CD2-CG2 3.9Å
157	F	75.9	Confident	74.5	Confident	65 Å²	65	83 Å²	83	29%	0.285	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	99.8	173.5	-64	-87.5	0	0	0	107.4	F166 S168 R169 L172	F157-F166 HydrophobicContact CB-CB 4.5Å; F157-F166 WeakPolarHBondContact CD2-O 3.38Å; F157-F166 PolarHBondContact N-O 3.02Å; F157-F166 PolarHBondContact O-N 2.83Å; F157-S168 VanDerWaalsContact CD2-C 3.42Å; F157-R169 HydrophobicContact CD1-CB 4.12Å; F157-R169 HydrophobicContact CD1-CG 4.35Å; F157-R169 HydrophobicContact CD2-CB 4.39Å; F157-R169 HydrophobicContact CE1-CB 3.9Å; F157-R169 HydrophobicContact CE1-CG 4.29Å; F157-R169 HydrophobicContact CE2-CB 4.19Å; F157-R169 HydrophobicContact CG-CB 4.36Å; F157-R169 HydrophobicContact CZ-CB 3.93Å; F157-L172 HydrophobicContact CB-CB 3.98Å; F157-L172 HydrophobicContact CB-CD2 3.74Å; F157-L172 HydrophobicContact CB-CG 4.45Å
158	D	77.9	Confident	74	Confident	98 Å²	98	84.4 Å²	84.4	52%	0.524	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	146	-177.2	-52.7	-54.3	0	0	0	111.7	S165 L172	D158-S165 WeakPolarHBondContact OD1-CB 3.31Å; D158-S165 PolarHBondContact OD1-OG 3.48Å; D158-L172 WeakPolarHBondContact O-CD2 3.42Å
159	C	78.1	Confident	73.9	Confident	11 Å²	11	90 Å²	90	7%	0.074	48%	0.482	C	S	.	.			trans	-75.5	129.2	171.3	-173.9	0	0	0	0	110.1	S161 C162 R164 L172 H175 H180	C159-S161 PolarHBondContact O-N 3.24Å; C159-S161 PolarHBondContact SG-N 2.86Å; C159-S161 VanDerWaalsContact SG-N 3.41Å; C159-C162 WeakPolarHBondContact CB-O 3.31Å; C159-C162 VanDerWaalsContact O-O 3.07Å; C159-R164 WeakPolarHBondContact CB-O 3.42Å; C159-R164 PolarHBondContact N-O 2.9Å; C159-L172 HydrophobicContact CB-CD1 4.01Å; C159-H175 PolarHBondContact SG-NE2 2.94Å; C159-H175 VanDerWaalsContact SG-NE2 3.39Å; C159-H180 VanDerWaalsContact SG-CD2 3.52Å; C159-H180 PolarHBondContact SG-NE2 3.39Å
160	P	81.3	Confident	73.7	Confident	109 Å²	109	85.5 Å²	85.5	71%	0.708	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	2.6	174.8	32	-37.2	0	0	0	113.3	I176	P160-I176 HydrophobicContact CG-CD1 4.42Å
161	S	79.2	Confident	74.1	Confident	73 Å²	73	85 Å²	85	51%	0.51	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	0.6	-171.6	-51.8	0	0	0	0	114.3	C159 H180	C159-S161 PolarHBondContact O-N 3.24Å; C159-S161 PolarHBondContact SG-N 2.86Å; C159-S161 VanDerWaalsContact SG-N 3.41Å; S161-H180 WeakPolarHBondContact CB-ND1 3.47Å; S161-H180 PolarHBondContact O-CE1 3.29Å; S161-H180 VanDerWaalsContact O-CE1 3.29Å
162	C	81.8	Confident	74.3	Confident	43 Å²	43	81.6 Å²	81.6	29%	0.291	46%	0.455	S	S	.	.	S	Bend	trans	-164.8	168.1	167	70.1	0	0	0	0	111.6	C159 R164 H175 H180	C159-C162 WeakPolarHBondContact CB-O 3.31Å; C159-C162 VanDerWaalsContact O-O 3.07Å; C162-R164 PolarHBondContact O-N 3.45Å; C162-H175 PolarHBondContact SG-NE2 3.36Å; C162-H180 PolarHBondContact SG-NE2 3.31Å; C162-H180 VanDerWaalsContact SG-NE2 3.37Å
163	D	80.2	Confident	74.7	Confident	171 Å²	171	84.8 Å²	84.8	91%	0.914	47%	0.465	S	S	*	.	S	Bend	trans	-75.1	29.1	-176.3	-43.5	-52.2	0	0	0	114.4
164	R	73.7	Confident	75.2	Confident	162 Å²	162	87.3 Å²	87.3	61%	0.611	46%	0.46	S	S	*	.			trans	-101.1	126.7	177.5	-75.7	-168.2	170.7	-176.8	-0.5	112.4	C159 C162 F166	C159-R164 WeakPolarHBondContact CB-O 3.42Å; C159-R164 PolarHBondContact N-O 2.9Å; C162-R164 PolarHBondContact O-N 3.45Å; R164-F166 HydrophobicContact CB-CE2 3.68Å; R164-F166 HydrophobicContact CB-CZ 4.01Å; R164-F166 WeakPolarHBondContact O-CE2 3.28Å
165	S	78.4	Confident	76.2	Confident	57 Å²	57	84.1 Å²	84.1	40%	0.399	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.9	179	-50.4	0	0	0	0	111.4	D158	D158-S165 WeakPolarHBondContact OD1-CB 3.31Å; D158-S165 PolarHBondContact OD1-OG 3.48Å
166	F	73.7	Confident	77.1	Confident	42 Å²	42	76 Å²	76	18%	0.184	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.2	-173.9	-67	-93.2	0	0	0	113	L156 F157 R164 S168 L172 H175	L156-F166 CarbonylContact C-O 3.6Å; L156-F166 WeakPolarHBondContact CA-O 3.22Å; F157-F166 HydrophobicContact CB-CB 4.5Å; F157-F166 WeakPolarHBondContact CD2-O 3.38Å; F157-F166 PolarHBondContact N-O 3.02Å; F157-F166 PolarHBondContact O-N 2.83Å; R164-F166 HydrophobicContact CB-CE2 3.68Å; R164-F166 HydrophobicContact CB-CZ 4.01Å; R164-F166 WeakPolarHBondContact O-CE2 3.28Å; F166-S168 PolarHBondContact O-N 2.85Å; F166-L172 HydrophobicContact CB-CB 4.04Å; F166-L172 HydrophobicContact CD2-CB 4.13Å; F166-L172 HydrophobicContact CD2-CD1 3.84Å; F166-L172 HydrophobicContact CE2-CD1 4.24Å; F166-L172 HydrophobicContact CG-CB 4.17Å; F166-H175 HydrophobicContact CD1-CB 4.48Å; F166-H175 HydrophobicContact CE1-CB 3.68Å; F166-H175 HydrophobicContact CE2-CB 3.84Å; F166-H175 AromaticContact CE2-CD2 3.1Å; F166-H175 WeakPolarHBondContact CE2-CD2 3.49Å; F166-H175 AromaticContact CE2-CG 3.54Å; F166-H175 AromaticContact CE2-NE2 3.82Å; F166-H175 HydrophobicContact CZ-CB 3.32Å; F166-H175 AromaticContact CZ-CD2 3.3Å; F166-H175 WeakPolarHBondContact CZ-CD2 3.16Å; F166-H175 AromaticContact CZ-CG 3.19Å; F166-H175 AromaticContact CZ-ND1 3.89Å
167	T	73.1	Confident	77.3	Confident	67 Å²	67	74.9 Å²	74.9	41%	0.411	39%	0.389	S	S	.	.	S	Bend	trans	-77.7	-2.3	-178.2	64.6	0	0	0	0	113.8	S150 I151 L156	S150-T167 WeakPolarHBondContact O-CB 3.39Å; S150-T167 WeakPolarHBondContact O-CG2 3.42Å; I151-T167 HydrophobicContact CD1-CG2 3.93Å; L156-T167 HydrophobicContact CD2-CG2 3.9Å
168	S	73.2	Confident	77	Confident	52 Å²	52	75 Å²	75	36%	0.364	39%	0.392	S	S	.	.	S	Bend	trans	-152.9	146.9	175.8	67.9	0	0	0	0	111.8	F157 F166 S170 G171 L172	F157-S168 VanDerWaalsContact CD2-C 3.42Å; F166-S168 PolarHBondContact O-N 2.85Å; S168-S170 VanDerWaalsContact C-N 3.26Å; S168-S170 PolarHBondContact O-N 3.13Å; S168-G171 PolarHBondContact O-N 3.41Å; S168-G171 PolarHBondContact OG-N 3.02Å; S168-L172 PolarHBondContact O-N 3.43Å; S168-L172 VanDerWaalsContact O-N 3.1Å
169	R	78.4	Confident	76.6	Confident	177 Å²	177	74.2 Å²	74.2	67%	0.668	39%	0.391	S	S	*	.	H	α-helix	trans	-61.5	-33.8	178.2	-169.3	169.7	-179.8	80.6	-2.6	112.7	F157 L172 W173	F157-R169 HydrophobicContact CD1-CB 4.12Å; F157-R169 HydrophobicContact CD1-CG 4.35Å; F157-R169 HydrophobicContact CD2-CB 4.39Å; F157-R169 HydrophobicContact CE1-CB 3.9Å; F157-R169 HydrophobicContact CE1-CG 4.29Å; F157-R169 HydrophobicContact CE2-CB 4.19Å; F157-R169 HydrophobicContact CG-CB 4.36Å; F157-R169 HydrophobicContact CZ-CB 3.93Å; R169-L172 PolarHBondContact O-N 2.91Å; R169-W173 WeakPolarHBondContact O-CB 3.25Å; R169-W173 PolarHBondContact O-N 2.78Å
170	S	76.7	Confident	76.3	Confident	77 Å²	77	77.1 Å²	77.1	54%	0.538	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-37.3	174	-47.6	0	0	0	0	112.1	S168 W173 Y174	S168-S170 VanDerWaalsContact C-N 3.26Å; S168-S170 PolarHBondContact O-N 3.13Å; S170-W173 PolarHBondContact O-N 3.21Å; S170-Y174 WeakPolarHBondContact O-CD2 3.35Å; S170-Y174 PolarHBondContact O-N 3.4Å
171	G	78	Confident	75.8	Confident	22 Å²	22	75 Å²	75	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-46.1	173.7	0	0	0	0	0	112	S168 Y174 H175	S168-G171 PolarHBondContact O-N 3.41Å; S168-G171 PolarHBondContact OG-N 3.02Å; G171-Y174 PolarHBondContact O-N 3Å; G171-H175 WeakPolarHBondContact O-CB 3.44Å; G171-H175 PolarHBondContact O-N 3.25Å
172	L	76.9	Confident	75	Confident	17 Å²	17	75.5 Å²	75.5	9%	0.089	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-46.5	173.1	175.3	61.2	0	0	0	111.7	F157 D158 C159 F166 S168 R169 Y174 H175 I176	F157-L172 HydrophobicContact CB-CB 3.98Å; F157-L172 HydrophobicContact CB-CD2 3.74Å; F157-L172 HydrophobicContact CB-CG 4.45Å; D158-L172 WeakPolarHBondContact O-CD2 3.42Å; C159-L172 HydrophobicContact CB-CD1 4.01Å; F166-L172 HydrophobicContact CB-CB 4.04Å; F166-L172 HydrophobicContact CD2-CB 4.13Å; F166-L172 HydrophobicContact CD2-CD1 3.84Å; F166-L172 HydrophobicContact CE2-CD1 4.24Å; F166-L172 HydrophobicContact CG-CB 4.17Å; S168-L172 PolarHBondContact O-N 3.43Å; S168-L172 VanDerWaalsContact O-N 3.1Å; R169-L172 PolarHBondContact O-N 2.91Å; L172-Y174 PolarHBondContact O-N 3.27Å; L172-H175 PolarHBondContact O-N 3.14Å; L172-H175 VanDerWaalsContact O-N 3.15Å; L172-I176 HydrophobicContact CD1-CD1 3.79Å; L172-I176 HydrophobicContact CD1-CG1 3.9Å; L172-I176 HydrophobicContact CD2-CD1 4.37Å; L172-I176 HydrophobicContact CG-CD1 3.85Å; L172-I176 HydrophobicContact CG-CG1 4.35Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.32Å
173	W	83.4	Confident	74	Confident	126 Å²	126	79.2 Å²	79.2	48%	0.477	40%	0.399	S	S	.	.	H	α-helix	trans	-57.5	-48.3	179	-176.7	84.4	0	0	0	111.9	R169 S170 H175 I176 H177 L196	R169-W173 WeakPolarHBondContact O-CB 3.25Å; R169-W173 PolarHBondContact O-N 2.78Å; S170-W173 PolarHBondContact O-N 3.21Å; W173-H175 VanDerWaalsContact C-N 3.33Å; W173-H175 PolarHBondContact O-N 3.49Å; W173-I176 PolarHBondContact O-N 3.42Å; W173-H177 AromaticContact CD1-CD2 3.76Å; W173-H177 AromaticContact CD1-NE2 3.68Å; W173-H177 AromaticContact CD2-CD2 3.65Å; W173-H177 AromaticContact CE2-CD2 3.17Å; W173-H177 AromaticContact CE2-NE2 3.4Å; W173-H177 AromaticContact CZ2-CD2 3.4Å; W173-H177 WeakPolarHBondContact CZ2-CD2 3.37Å; W173-H177 AromaticContact CZ2-NE2 3.69Å; W173-H177 AromaticContact NE1-CD2 3.26Å; W173-H177 PolarHBondContact NE1-CD2 3.15Å; W173-H177 VanDerWaalsContact NE1-CD2 3.26Å; W173-H177 AromaticContact NE1-NE2 3.02Å; W173-H177 PolarHBondContact NE1-NE2 3.39Å; W173-H177 PolarHBondContact O-CD2 3.29Å; W173-H177 VanDerWaalsContact O-CD2 3.3Å; W173-H177 PolarHBondContact O-N 3.02Å; W173-H177 VanDerWaalsContact O-N 3.14Å; W173-L196 HydrophobicContact CH2-CD2 4.13Å; W173-L196 HydrophobicContact CZ3-CD2 3.94Å
174	Y	75	Confident	73.5	Confident	99 Å²	99	74.7 Å²	74.7	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-40.2	175.6	-80	-57.7	0	0	0	112.2	S170 G171 L172 L178 L196	S170-Y174 WeakPolarHBondContact O-CD2 3.35Å; S170-Y174 PolarHBondContact O-N 3.4Å; G171-Y174 PolarHBondContact O-N 3Å; L172-Y174 PolarHBondContact O-N 3.27Å; Y174-L178 WeakPolarHBondContact O-CB 3.39Å; Y174-L178 WeakPolarHBondContact O-CG 3.36Å; Y174-L178 PolarHBondContact O-N 2.89Å; Y174-L196 HydrophobicContact CD1-CD1 3.44Å; Y174-L196 VanDerWaalsContact CD1-CD1 3.44Å; Y174-L196 HydrophobicContact CD1-CD2 4Å; Y174-L196 HydrophobicContact CD1-CG 4.38Å; Y174-L196 HydrophobicContact CE1-CD1 3.69Å; Y174-L196 HydrophobicContact CE1-CD2 4.36Å
175	H	79.3	Confident	73.3	Confident	14 Å²	14	70 Å²	70	7%	0.065	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-46.7	177.2	164.3	54.7	0	0	0	112.5	C159 C162 F166 G171 L172 W173 H177 L178 V179 H180	C159-H175 PolarHBondContact SG-NE2 2.94Å; C159-H175 VanDerWaalsContact SG-NE2 3.39Å; C162-H175 PolarHBondContact SG-NE2 3.36Å; F166-H175 HydrophobicContact CD1-CB 4.48Å; F166-H175 HydrophobicContact CE1-CB 3.68Å; F166-H175 HydrophobicContact CE2-CB 3.84Å; F166-H175 AromaticContact CE2-CD2 3.1Å; F166-H175 WeakPolarHBondContact CE2-CD2 3.49Å; F166-H175 AromaticContact CE2-CG 3.54Å; F166-H175 AromaticContact CE2-NE2 3.82Å; F166-H175 HydrophobicContact CZ-CB 3.32Å; F166-H175 AromaticContact CZ-CD2 3.3Å; F166-H175 WeakPolarHBondContact CZ-CD2 3.16Å; F166-H175 AromaticContact CZ-CG 3.19Å; F166-H175 AromaticContact CZ-ND1 3.89Å; G171-H175 WeakPolarHBondContact O-CB 3.44Å; G171-H175 PolarHBondContact O-N 3.25Å; L172-H175 PolarHBondContact O-N 3.14Å; L172-H175 VanDerWaalsContact O-N 3.15Å; W173-H175 VanDerWaalsContact C-N 3.33Å; W173-H175 PolarHBondContact O-N 3.49Å; H175-H177 PolarHBondContact O-N 3.24Å; H175-L178 PolarHBondContact O-N 3.39Å; H175-V179 WeakPolarHBondContact ND1-CG2 3.28Å; H175-V179 WeakPolarHBondContact O-CB 3.37Å; H175-V179 WeakPolarHBondContact O-CG2 3.11Å; H175-V179 PolarHBondContact O-N 3.5Å; H175-H180 AromaticContact CE1-CD2 3.73Å; H175-H180 AromaticContact CE1-NE2 3.42Å; H175-H180 PolarHBondContact CE1-NE2 3.41Å; H175-H180 AromaticContact NE2-CD2 3.67Å; H175-H180 AromaticContact NE2-NE2 3.39Å; H175-H180 PolarHBondContact NE2-NE2 3.06Å
176	I	75	Confident	73	Confident	43 Å²	43	72 Å²	72	22%	0.221	37%	0.368	C	S	.	.	I	π-helix	trans	-57.1	-53.8	177.9	-68.9	171.7	0	0	0	109.7	P160 L172 W173 L178 V179 H180 D181	P160-I176 HydrophobicContact CG-CD1 4.42Å; L172-I176 HydrophobicContact CD1-CD1 3.79Å; L172-I176 HydrophobicContact CD1-CG1 3.9Å; L172-I176 HydrophobicContact CD2-CD1 4.37Å; L172-I176 HydrophobicContact CG-CD1 3.85Å; L172-I176 HydrophobicContact CG-CG1 4.35Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.32Å; W173-I176 PolarHBondContact O-N 3.42Å; I176-L178 VanDerWaalsContact C-N 3.27Å; I176-L178 PolarHBondContact O-N 3.42Å; I176-V179 PolarHBondContact O-N 3.37Å; I176-H180 CarbonylContact O-C 3.55Å; I176-H180 WeakPolarHBondContact O-CA 3.31Å; I176-H180 PolarHBondContact O-N 2.85Å; I176-D181 HydrophobicContact CG2-CB 4.29Å; I176-D181 PolarHBondContact O-N 3.35Å
177	H	73.5	Confident	73	Confident	47 Å²	47	70.1 Å²	70.1	22%	0.218	36%	0.36	C	S	.	.	I	π-helix	trans	-73.6	-11.4	-177.8	-66.6	-67.3	0	0	0	115.2	W173 H175 D181 L196	W173-H177 AromaticContact CD1-CD2 3.76Å; W173-H177 AromaticContact CD1-NE2 3.68Å; W173-H177 AromaticContact CD2-CD2 3.65Å; W173-H177 AromaticContact CE2-CD2 3.17Å; W173-H177 AromaticContact CE2-NE2 3.4Å; W173-H177 AromaticContact CZ2-CD2 3.4Å; W173-H177 WeakPolarHBondContact CZ2-CD2 3.37Å; W173-H177 AromaticContact CZ2-NE2 3.69Å; W173-H177 AromaticContact NE1-CD2 3.26Å; W173-H177 PolarHBondContact NE1-CD2 3.15Å; W173-H177 VanDerWaalsContact NE1-CD2 3.26Å; W173-H177 AromaticContact NE1-NE2 3.02Å; W173-H177 PolarHBondContact NE1-NE2 3.39Å; W173-H177 PolarHBondContact O-CD2 3.29Å; W173-H177 VanDerWaalsContact O-CD2 3.3Å; W173-H177 PolarHBondContact O-N 3.02Å; W173-H177 VanDerWaalsContact O-N 3.14Å; H175-H177 PolarHBondContact O-N 3.24Å; H177-D181 CarbonylContact C-O 3.56Å; H177-D181 WeakPolarHBondContact CA-O 3.4Å; H177-D181 IonicContact CE1-OD2 3.1Å; H177-D181 PolarHBondContact CE1-OD2 3.3Å; H177-D181 IonicContact ND1-OD2 2.8Å; H177-D181 PolarHBondContact ND1-OD2 3.26Å; H177-D181 VanDerWaalsContact O-O 3.12Å; H177-L196 HydrophobicContact CB-CD2 4.07Å
178	L	69.3	Low	72.5	Confident	68 Å²	68	74.5 Å²	74.5	36%	0.356	38%	0.381	S	S	.	.	I	π-helix	trans	-98.3	-17.2	174.4	-73.3	176.9	0	0	0	114.1	Y174 H175 I176 A195 L196	Y174-L178 WeakPolarHBondContact O-CB 3.39Å; Y174-L178 WeakPolarHBondContact O-CG 3.36Å; Y174-L178 PolarHBondContact O-N 2.89Å; H175-L178 PolarHBondContact O-N 3.39Å; I176-L178 VanDerWaalsContact C-N 3.27Å; I176-L178 PolarHBondContact O-N 3.42Å; L178-A195 HydrophobicContact CD2-CB 3.54Å; L178-L196 HydrophobicContact CD1-CD1 3.92Å; L178-L196 HydrophobicContact CD2-CD1 3.7Å; L178-L196 HydrophobicContact CD2-CD2 4.37Å; L178-L196 HydrophobicContact CD2-CG 3.67Å; L178-L196 HydrophobicContact CG-CD1 3.86Å; L178-L196 HydrophobicContact CG-CD2 4.42Å; L178-L196 HydrophobicContact CG-CG 4.11Å
179	V	71.1	Confident	72	Confident	82 Å²	82	76.5 Å²	76.5	50%	0.497	39%	0.391	S	S	.	.	I	π-helix	trans	-126.3	-38.6	-171.7	-177.1	0	0	0	0	113.1	H175 I176	H175-V179 WeakPolarHBondContact ND1-CG2 3.28Å; H175-V179 WeakPolarHBondContact O-CB 3.37Å; H175-V179 WeakPolarHBondContact O-CG2 3.11Å; H175-V179 PolarHBondContact O-N 3.5Å; I176-V179 PolarHBondContact O-N 3.37Å
180	H	70.8	Confident	71.6	Confident	72 Å²	72	70.6 Å²	70.6	33%	0.333	38%	0.376	S	S	.	.	I	π-helix	trans	-111.7	-36.2	-171.9	-62.7	-71.3	0	0	0	113.4	C159 S161 C162 H175 I176	C159-H180 VanDerWaalsContact SG-CD2 3.52Å; C159-H180 PolarHBondContact SG-NE2 3.39Å; S161-H180 WeakPolarHBondContact CB-ND1 3.47Å; S161-H180 PolarHBondContact O-CE1 3.29Å; S161-H180 VanDerWaalsContact O-CE1 3.29Å; C162-H180 PolarHBondContact SG-NE2 3.31Å; C162-H180 VanDerWaalsContact SG-NE2 3.37Å; H175-H180 AromaticContact CE1-CD2 3.73Å; H175-H180 AromaticContact CE1-NE2 3.42Å; H175-H180 PolarHBondContact CE1-NE2 3.41Å; H175-H180 AromaticContact NE2-CD2 3.67Å; H175-H180 AromaticContact NE2-NE2 3.39Å; H175-H180 PolarHBondContact NE2-NE2 3.06Å; I176-H180 CarbonylContact O-C 3.55Å; I176-H180 WeakPolarHBondContact O-CA 3.31Å; I176-H180 PolarHBondContact O-N 2.85Å
181	D	70.7	Confident	71.4	Confident	63 Å²	63	69.9 Å²	69.9	34%	0.337	37%	0.371	S	S	.	.	S	Bend	trans	-122.9	66.9	178	177.3	41.7	0	0	0	110.1	I176 H177 Q183	I176-D181 HydrophobicContact CG2-CB 4.29Å; I176-D181 PolarHBondContact O-N 3.35Å; H177-D181 CarbonylContact C-O 3.56Å; H177-D181 WeakPolarHBondContact CA-O 3.4Å; H177-D181 IonicContact CE1-OD2 3.1Å; H177-D181 PolarHBondContact CE1-OD2 3.3Å; H177-D181 IonicContact ND1-OD2 2.8Å; H177-D181 PolarHBondContact ND1-OD2 3.26Å; H177-D181 VanDerWaalsContact O-O 3.12Å; D181-Q183 PolarHBondContact O-N 2.83Å
182	V	62.8	Low	70.9	Confident	84 Å²	84	73.1 Å²	73.1	51%	0.509	38%	0.376	S	S	.	.			trans	-77.8	69.9	-176.3	-168.8	0	0	0	0	110.6	S184 A195	V182-S184 PolarHBondContact O-N 3.45Å; V182-A195 HydrophobicContact CG1-CB 4.19Å
183	Q	59.8	Low	70.8	Confident	121 Å²	121	76.3 Å²	76.3	57%	0.565	40%	0.396	S	S	*	.			trans	-69.9	117.5	167.8	-73.1	-152.4	-11.9	0	0	110.6	D181 F185	D181-Q183 PolarHBondContact O-N 2.83Å; Q183-F185 WeakPolarHBondContact O-CD2 3.16Å; Q183-F185 WeakPolarHBondContact O-CE2 3.17Å; Q183-F185 PolarHBondContact O-N 3.33Å
184	S	71.1	Confident	70.2	Confident	77 Å²	77	72.2 Å²	72.2	54%	0.538	38%	0.382	S	S	.	.			trans	-83.2	109.4	179.8	64.2	0	0	0	0	111.7	V182 Q186	V182-S184 PolarHBondContact O-N 3.45Å; S184-Q186 PolarHBondContact O-N 3.25Å
185	F	68.8	Low	70	Confident	62 Å²	62	69 Å²	69	27%	0.272	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.5	171.9	-60.5	-86.8	0	0	0	109.8	Q183 T193 F194 R197 L200	Q183-F185 WeakPolarHBondContact O-CD2 3.16Å; Q183-F185 WeakPolarHBondContact O-CE2 3.17Å; Q183-F185 PolarHBondContact O-N 3.33Å; F185-T193 WeakPolarHBondContact O-CA 3.46Å; F185-F194 WeakPolarHBondContact CD2-O 3.39Å; F185-F194 PolarHBondContact N-O 2.94Å; F185-F194 PolarHBondContact O-N 3.37Å; F185-R197 HydrophobicContact CD1-CB 4.04Å; F185-R197 HydrophobicContact CD1-CG 4.03Å; F185-R197 HydrophobicContact CD2-CB 4.41Å; F185-R197 HydrophobicContact CE1-CB 3.96Å; F185-R197 HydrophobicContact CE1-CG 4.14Å; F185-R197 HydrophobicContact CE2-CB 4.35Å; F185-R197 HydrophobicContact CG-CB 4.27Å; F185-R197 HydrophobicContact CZ-CB 4.13Å; F185-L200 HydrophobicContact CB-CB 4.18Å; F185-L200 HydrophobicContact CB-CD2 3.79Å
186	Q	72.1	Confident	69.4	Low	101 Å²	101	68.4 Å²	68.4	47%	0.472	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143.2	176.4	-174.2	169.2	-21.1	0	0	111.5	S184 S191 R192 T193 L200	S184-Q186 PolarHBondContact O-N 3.25Å; Q186-S191 PolarHBondContact NE2-OG 3.15Å; Q186-S191 VanDerWaalsContact NE2-OG 3.12Å; Q186-R192 CarbonylContact C-O 3.11Å; Q186-T193 HydrophobicContact CB-CG2 4.23Å; Q186-L200 WeakPolarHBondContact O-CD2 3.32Å
187	C	74.2	Confident	69.3	Low	1 Å²	1	75.2 Å²	75.2	1%	0.007	40%	0.396	C	S	.	.			trans	-85	119.7	167.9	-179.8	0	0	0	0	110.4	V189 C190 S191 R192 F194 L200 H208	C187-V189 PolarHBondContact O-N 3.43Å; C187-V189 VanDerWaalsContact O-N 3.1Å; C187-C190 PolarHBondContact O-N 3.48Å; C187-S191 WeakPolarHBondContact O-CA 3.44Å; C187-S191 PolarHBondContact O-N 2.85Å; C187-R192 WeakPolarHBondContact CB-O 3.45Å; C187-R192 PolarHBondContact N-O 3.45Å; C187-F194 HydrophobicContact CB-CE2 4.22Å; C187-L200 HydrophobicContact CB-CD1 3.53Å; C187-H208 VanDerWaalsContact SG-CD2 3.59Å
188	D	63.1	Low	69.1	Low	159 Å²	159	76.5 Å²	76.5	85%	0.85	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.4	-179.5	-49.7	-44	0	0	0	113.8
189	V	62.1	Low	69.4	Low	95 Å²	95	79.4 Å²	79.4	58%	0.576	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-37.2	-176	-170.3	0	0	0	0	113	C187 H208	C187-V189 PolarHBondContact O-N 3.43Å; C187-V189 VanDerWaalsContact O-N 3.1Å; V189-H208 HydrophobicContact CG1-CB 4.46Å; V189-H208 WeakPolarHBondContact CG1-ND1 3.39Å; V189-H208 HydrophobicContact CG2-CB 4.41Å
190	C	69.4	Low	69.6	Low	53 Å²	53	76.8 Å²	76.8	36%	0.358	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	7.3	-178.2	72.7	0	0	0	0	115.1	C187 R192 H203 H208	C187-C190 PolarHBondContact O-N 3.48Å; C190-R192 PolarHBondContact O-N 3.02Å; C190-H203 PolarHBondContact SG-NE2 3.46Å; C190-H208 PolarHBondContact SG-NE2 3.23Å; C190-H208 VanDerWaalsContact SG-NE2 3.36Å
191	S	72.3	Confident	69.6	Low	62 Å²	62	78.8 Å²	78.8	43%	0.434	41%	0.407	S	S	.	.			trans	55.5	14.6	-178.8	-63.7	0	0	0	0	116.2	Q186 C187	Q186-S191 PolarHBondContact NE2-OG 3.15Å; Q186-S191 VanDerWaalsContact NE2-OG 3.12Å; C187-S191 WeakPolarHBondContact O-CA 3.44Å; C187-S191 PolarHBondContact O-N 2.85Å
192	R	68.8	Low	69.7	Low	90 Å²	90	78.1 Å²	78.1	34%	0.34	41%	0.41	S	S	.	.			trans	-69.2	136.2	169.4	-85.3	-176.2	161	170.9	-3.8	110.9	Q186 C187 C190 F194 A276	Q186-R192 CarbonylContact C-O 3.11Å; C187-R192 WeakPolarHBondContact CB-O 3.45Å; C187-R192 PolarHBondContact N-O 3.45Å; C190-R192 PolarHBondContact O-N 3.02Å; R192-F194 HydrophobicContact CB-CE2 3.73Å; R192-F194 HydrophobicContact CB-CZ 3.95Å; R192-F194 WeakPolarHBondContact O-CE2 3.42Å; R192-A276 PolarHBondContact NE-O 3Å; R192-A276 PolarHBondContact NH2-O 3.37Å
193	T	73.8	Confident	70.4	Confident	83 Å²	83	74.9 Å²	74.9	51%	0.509	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	142.4	176.7	44.1	0	0	0	0	111.6	F185 Q186	F185-T193 WeakPolarHBondContact O-CA 3.46Å; Q186-T193 HydrophobicContact CB-CG2 4.23Å
194	F	71.4	Confident	70.9	Confident	40 Å²	40	71.2 Å²	71.2	18%	0.175	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.3	178.6	-61.7	-89.7	0	0	0	109.3	F185 C187 R192 L196 L200 H203	F185-F194 WeakPolarHBondContact CD2-O 3.39Å; F185-F194 PolarHBondContact N-O 2.94Å; F185-F194 PolarHBondContact O-N 3.37Å; C187-F194 HydrophobicContact CB-CE2 4.22Å; R192-F194 HydrophobicContact CB-CE2 3.73Å; R192-F194 HydrophobicContact CB-CZ 3.95Å; R192-F194 WeakPolarHBondContact O-CE2 3.42Å; F194-L196 PolarHBondContact O-N 3.06Å; F194-L200 HydrophobicContact CB-CB 4.11Å; F194-L200 HydrophobicContact CD2-CB 3.92Å; F194-L200 HydrophobicContact CD2-CD1 3.78Å; F194-L200 HydrophobicContact CD2-CG 4.45Å; F194-L200 HydrophobicContact CE2-CD1 4.04Å; F194-L200 HydrophobicContact CG-CB 4.13Å; F194-H203 HydrophobicContact CD1-CB 4.48Å; F194-H203 HydrophobicContact CE1-CB 3.68Å; F194-H203 AromaticContact CE1-CG 3.9Å; F194-H203 HydrophobicContact CE2-CB 4.02Å; F194-H203 AromaticContact CE2-CD2 3.25Å; F194-H203 WeakPolarHBondContact CE2-CD2 3.22Å; F194-H203 AromaticContact CE2-CG 3.64Å; F194-H203 AromaticContact CE2-NE2 3.86Å; F194-H203 HydrophobicContact CZ-CB 3.43Å; F194-H203 VanDerWaalsContact CZ-CB 3.43Å; F194-H203 AromaticContact CZ-CD2 3.26Å; F194-H203 WeakPolarHBondContact CZ-CD2 3.29Å; F194-H203 AromaticContact CZ-CG 3.14Å; F194-H203 AromaticContact CZ-ND1 3.68Å; F194-H203 AromaticContact CZ-NE2 3.83Å
195	A	70.5	Confident	70.8	Confident	32 Å²	32	72.1 Å²	72.1	26%	0.264	37%	0.371	S	S	.	.	S	Bend	trans	-70.3	-10.4	178.5	0	0	0	0	0	113.8	L178 V182	L178-A195 HydrophobicContact CD2-CB 3.54Å; V182-A195 HydrophobicContact CG1-CB 4.19Å
196	L	67.4	Low	70.6	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.01	38%	0.382	C	S	.	.	S	Bend	trans	-141.6	140.5	177.9	-67.9	170.3	0	0	0	112.1	W173 Y174 H177 L178 F194 V198 Y199 L200	W173-L196 HydrophobicContact CH2-CD2 4.13Å; W173-L196 HydrophobicContact CZ3-CD2 3.94Å; Y174-L196 HydrophobicContact CD1-CD1 3.44Å; Y174-L196 VanDerWaalsContact CD1-CD1 3.44Å; Y174-L196 HydrophobicContact CD1-CD2 4Å; Y174-L196 HydrophobicContact CD1-CG 4.38Å; Y174-L196 HydrophobicContact CE1-CD1 3.69Å; Y174-L196 HydrophobicContact CE1-CD2 4.36Å; H177-L196 HydrophobicContact CB-CD2 4.07Å; L178-L196 HydrophobicContact CD1-CD1 3.92Å; L178-L196 HydrophobicContact CD2-CD1 3.7Å; L178-L196 HydrophobicContact CD2-CD2 4.37Å; L178-L196 HydrophobicContact CD2-CG 3.67Å; L178-L196 HydrophobicContact CG-CD1 3.86Å; L178-L196 HydrophobicContact CG-CD2 4.42Å; L178-L196 HydrophobicContact CG-CG 4.11Å; F194-L196 PolarHBondContact O-N 3.06Å; L196-V198 HydrophobicContact CB-CG1 4.22Å; L196-V198 PolarHBondContact O-N 2.91Å; L196-Y199 HydrophobicContact CB-CD2 3.9Å; L196-Y199 HydrophobicContact CB-CE2 4.3Å; L196-Y199 HydrophobicContact CB-CG 4.33Å; L196-Y199 HydrophobicContact CD1-CD2 4.13Å; L196-Y199 HydrophobicContact CD1-CE2 3.66Å; L196-Y199 HydrophobicContact CG-CD2 4.41Å; L196-Y199 HydrophobicContact CG-CE2 4.37Å; L196-Y199 PolarHBondContact O-N 3.1Å; L196-L200 PolarHBondContact O-N 2.66Å
197	R	72.1	Confident	70.4	Confident	186 Å²	186	70.8 Å²	70.8	70%	0.702	37%	0.367	S	S	*	.	H	α-helix	trans	-58.9	-30.7	178.1	-153.8	178.1	-159.8	174.3	8	113.5	F185 L200 H201	F185-R197 HydrophobicContact CD1-CB 4.04Å; F185-R197 HydrophobicContact CD1-CG 4.03Å; F185-R197 HydrophobicContact CD2-CB 4.41Å; F185-R197 HydrophobicContact CE1-CB 3.96Å; F185-R197 HydrophobicContact CE1-CG 4.14Å; F185-R197 HydrophobicContact CE2-CB 4.35Å; F185-R197 HydrophobicContact CG-CB 4.27Å; F185-R197 HydrophobicContact CZ-CB 4.13Å; R197-L200 PolarHBondContact O-N 3.42Å; R197-H201 WeakPolarHBondContact O-CB 3.45Å; R197-H201 PolarHBondContact O-N 2.97Å
198	V	69.8	Low	70.1	Confident	74 Å²	74	72.6 Å²	72.6	45%	0.448	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-35.6	175.9	74.4	0	0	0	0	112	L196 H201 A202	L196-V198 HydrophobicContact CB-CG1 4.22Å; L196-V198 PolarHBondContact O-N 2.91Å; V198-H201 PolarHBondContact O-N 3.44Å; V198-A202 WeakPolarHBondContact O-CB 3.43Å; V198-A202 PolarHBondContact O-N 3.45Å
199	Y	75.8	Confident	69.8	Low	128 Å²	128	67.5 Å²	67.5	50%	0.502	36%	0.361	S	S	.	.	H	α-helix	trans	-74.4	-38.4	175.1	-60.4	-27.8	0	0	0	111.6	L196 H201 A202 H203	L196-Y199 HydrophobicContact CB-CD2 3.9Å; L196-Y199 HydrophobicContact CB-CE2 4.3Å; L196-Y199 HydrophobicContact CB-CG 4.33Å; L196-Y199 HydrophobicContact CD1-CD2 4.13Å; L196-Y199 HydrophobicContact CD1-CE2 3.66Å; L196-Y199 HydrophobicContact CG-CD2 4.41Å; L196-Y199 HydrophobicContact CG-CE2 4.37Å; L196-Y199 PolarHBondContact O-N 3.1Å; Y199-H201 VanDerWaalsContact C-N 3.34Å; Y199-A202 PolarHBondContact O-N 3.44Å; Y199-H203 WeakPolarHBondContact O-CB 3.42Å; Y199-H203 PolarHBondContact O-N 2.97Å
200	L	74.6	Confident	69.4	Low	27 Å²	27	68 Å²	68	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-46.8	168.6	171.4	60.6	0	0	0	110.9	F185 Q186 C187 F194 L196 R197 H203 V204	F185-L200 HydrophobicContact CB-CB 4.18Å; F185-L200 HydrophobicContact CB-CD2 3.79Å; Q186-L200 WeakPolarHBondContact O-CD2 3.32Å; C187-L200 HydrophobicContact CB-CD1 3.53Å; F194-L200 HydrophobicContact CB-CB 4.11Å; F194-L200 HydrophobicContact CD2-CB 3.92Å; F194-L200 HydrophobicContact CD2-CD1 3.78Å; F194-L200 HydrophobicContact CD2-CG 4.45Å; F194-L200 HydrophobicContact CE2-CD1 4.04Å; F194-L200 HydrophobicContact CG-CB 4.13Å; L196-L200 PolarHBondContact O-N 2.66Å; R197-L200 PolarHBondContact O-N 3.42Å; L200-H203 WeakPolarHBondContact O-CB 3.45Å; L200-H203 PolarHBondContact O-N 2.81Å; L200-V204 HydrophobicContact CD1-CG2 3.83Å; L200-V204 HydrophobicContact CG-CG2 4.41Å; L200-V204 WeakPolarHBondContact O-CB 3.44Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.26Å
201	H	71.8	Confident	68.7	Low	114 Å²	114	71.2 Å²	71.2	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-46.1	179.9	-173.8	74.6	0	0	0	112.1	R197 V198 Y199 H203 V204 Q205	R197-H201 WeakPolarHBondContact O-CB 3.45Å; R197-H201 PolarHBondContact O-N 2.97Å; V198-H201 PolarHBondContact O-N 3.44Å; Y199-H201 VanDerWaalsContact C-N 3.34Å; H201-H203 VanDerWaalsContact C-N 3.32Å; H201-H203 PolarHBondContact O-N 3.15Å; H201-V204 PolarHBondContact O-N 3.18Å; H201-Q205 WeakPolarHBondContact O-CG 3.06Å; H201-Q205 PolarHBondContact O-N 3.05Å
202	A	71.7	Confident	68	Low	49 Å²	49	70.7 Å²	70.7	41%	0.405	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-42.1	174.9	0	0	0	0	0	111.6	V198 Y199 Q205 Q206	V198-A202 WeakPolarHBondContact O-CB 3.43Å; V198-A202 PolarHBondContact O-N 3.45Å; Y199-A202 PolarHBondContact O-N 3.44Å; A202-Q205 PolarHBondContact O-N 3.38Å; A202-Q206 VanDerWaalsContact O-CB 3.31Å; A202-Q206 WeakPolarHBondContact O-CB 3.37Å; A202-Q206 VanDerWaalsContact O-CG 3.22Å; A202-Q206 WeakPolarHBondContact O-CG 3.3Å; A202-Q206 PolarHBondContact O-N 3.32Å
203	H	77.5	Confident	67.7	Low	16 Å²	16	67.6 Å²	67.6	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-50	173.1	162.7	66.3	0	0	0	111.9	C190 F194 Y199 L200 H201 Q205 Q206 V207 H208	C190-H203 PolarHBondContact SG-NE2 3.46Å; F194-H203 HydrophobicContact CD1-CB 4.48Å; F194-H203 HydrophobicContact CE1-CB 3.68Å; F194-H203 AromaticContact CE1-CG 3.9Å; F194-H203 HydrophobicContact CE2-CB 4.02Å; F194-H203 AromaticContact CE2-CD2 3.25Å; F194-H203 WeakPolarHBondContact CE2-CD2 3.22Å; F194-H203 AromaticContact CE2-CG 3.64Å; F194-H203 AromaticContact CE2-NE2 3.86Å; F194-H203 HydrophobicContact CZ-CB 3.43Å; F194-H203 VanDerWaalsContact CZ-CB 3.43Å; F194-H203 AromaticContact CZ-CD2 3.26Å; F194-H203 WeakPolarHBondContact CZ-CD2 3.29Å; F194-H203 AromaticContact CZ-CG 3.14Å; F194-H203 AromaticContact CZ-ND1 3.68Å; F194-H203 AromaticContact CZ-NE2 3.83Å; Y199-H203 WeakPolarHBondContact O-CB 3.42Å; Y199-H203 PolarHBondContact O-N 2.97Å; L200-H203 WeakPolarHBondContact O-CB 3.45Å; L200-H203 PolarHBondContact O-N 2.81Å; H201-H203 VanDerWaalsContact C-N 3.32Å; H201-H203 PolarHBondContact O-N 3.15Å; H203-Q205 VanDerWaalsContact C-N 3.32Å; H203-Q205 PolarHBondContact O-N 2.96Å; H203-Q206 PolarHBondContact O-N 2.94Å; H203-V207 VanDerWaalsContact ND1-CG2 3.29Å; H203-V207 WeakPolarHBondContact ND1-CG2 3.3Å; H203-V207 WeakPolarHBondContact O-CA 3.14Å; H203-V207 WeakPolarHBondContact O-CB 3.09Å; H203-V207 WeakPolarHBondContact O-CG2 3.45Å; H203-V207 PolarHBondContact O-N 3.46Å; H203-H208 AromaticContact CE1-NE2 3.61Å; H203-H208 AromaticContact NE2-CD2 3.66Å; H203-H208 AromaticContact NE2-NE2 3.34Å; H203-H208 PolarHBondContact NE2-NE2 3.31Å
204	V	69.6	Low	67.2	Low	45 Å²	45	68.4 Å²	68.4	27%	0.273	34%	0.338	S	S	.	.	I	π-helix	trans	-58.6	-45.1	178	168.7	0	0	0	0	110.2	L200 H201 H208 G209	L200-V204 HydrophobicContact CD1-CG2 3.83Å; L200-V204 HydrophobicContact CG-CG2 4.41Å; L200-V204 WeakPolarHBondContact O-CB 3.44Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.26Å; H201-V204 PolarHBondContact O-N 3.18Å; V204-H208 HydrophobicContact CG1-CB 4.49Å; V204-H208 CarbonylContact O-C 3.53Å; V204-H208 VanDerWaalsContact O-CA 3.3Å; V204-H208 WeakPolarHBondContact O-CA 3.1Å; V204-H208 WeakPolarHBondContact O-CB 3.47Å; V204-H208 PolarHBondContact O-N 3.1Å; V204-G209 PolarHBondContact O-N 2.91Å
205	Q	69.9	Low	67.2	Low	95 Å²	95	66.5 Å²	66.5	44%	0.444	33%	0.33	S	S	.	.	I	π-helix	trans	-64.4	-46.8	177.3	-68.8	-60.6	-22.4	0	0	113.2	H201 A202 H203 G209 K210	H201-Q205 WeakPolarHBondContact O-CG 3.06Å; H201-Q205 PolarHBondContact O-N 3.05Å; A202-Q205 PolarHBondContact O-N 3.38Å; H203-Q205 VanDerWaalsContact C-N 3.32Å; H203-Q205 PolarHBondContact O-N 2.96Å; Q205-G209 CarbonylContact O-C 3.39Å; Q205-G209 WeakPolarHBondContact O-CA 2.73Å; Q205-G209 PolarHBondContact O-N 2.91Å; Q205-K210 PolarHBondContact O-N 2.85Å
206	Q	65	Low	67.5	Low	107 Å²	107	70.9 Å²	70.9	50%	0.5	35%	0.345	S	S	.	.	I	π-helix	trans	-76.9	-29.5	-175.5	-66	-63.3	-27.9	0	0	113.5	A202 H203	A202-Q206 VanDerWaalsContact O-CB 3.31Å; A202-Q206 WeakPolarHBondContact O-CB 3.37Å; A202-Q206 VanDerWaalsContact O-CG 3.22Å; A202-Q206 WeakPolarHBondContact O-CG 3.3Å; A202-Q206 PolarHBondContact O-N 3.32Å; H203-Q206 PolarHBondContact O-N 2.94Å
207	V	67.1	Low	67.6	Low	29 Å²	29	76.6 Å²	76.6	18%	0.176	37%	0.372	C	S	.	.	I	π-helix	trans	-100.6	-51.2	-176.4	-177.6	0	0	0	0	111.6	H203 M212 L223	H203-V207 VanDerWaalsContact ND1-CG2 3.29Å; H203-V207 WeakPolarHBondContact ND1-CG2 3.3Å; H203-V207 WeakPolarHBondContact O-CA 3.14Å; H203-V207 WeakPolarHBondContact O-CB 3.09Å; H203-V207 WeakPolarHBondContact O-CG2 3.45Å; H203-V207 PolarHBondContact O-N 3.46Å; V207-M212 HydrophobicContact CG1-CE 3.97Å; V207-M212 VanDerWaalsContact O-CE 3.28Å; V207-M212 WeakPolarHBondContact O-CE 3.33Å; V207-M212 WeakPolarHBondContact O-CG 3.34Å; V207-L223 HydrophobicContact CB-CD2 4.25Å; V207-L223 HydrophobicContact CG1-CD2 4.07Å; V207-L223 WeakPolarHBondContact O-CD2 3.12Å
208	H	67.3	Low	67.6	Low	39 Å²	39	70.6 Å²	70.6	18%	0.181	36%	0.358	C	S	.	.	I	π-helix	trans	-104.2	-17.6	-171.3	-57.6	-57.4	0	0	0	114.1	C187 V189 C190 H203 V204	C187-H208 VanDerWaalsContact SG-CD2 3.59Å; V189-H208 HydrophobicContact CG1-CB 4.46Å; V189-H208 WeakPolarHBondContact CG1-ND1 3.39Å; V189-H208 HydrophobicContact CG2-CB 4.41Å; C190-H208 PolarHBondContact SG-NE2 3.23Å; C190-H208 VanDerWaalsContact SG-NE2 3.36Å; H203-H208 AromaticContact CE1-NE2 3.61Å; H203-H208 AromaticContact NE2-CD2 3.66Å; H203-H208 AromaticContact NE2-NE2 3.34Å; H203-H208 PolarHBondContact NE2-NE2 3.31Å; V204-H208 HydrophobicContact CG1-CB 4.49Å; V204-H208 CarbonylContact O-C 3.53Å; V204-H208 VanDerWaalsContact O-CA 3.3Å; V204-H208 WeakPolarHBondContact O-CA 3.1Å; V204-H208 WeakPolarHBondContact O-CB 3.47Å; V204-H208 PolarHBondContact O-N 3.1Å
209	G	57.3	Low	67.2	Low	52 Å²	52	68.5 Å²	68.5	54%	0.536	35%	0.351	S	S	.	.	S	Bend	trans	-90.3	-18	178.3	0	0	0	0	0	113.8	V204 Q205	V204-G209 PolarHBondContact O-N 2.91Å; Q205-G209 CarbonylContact O-C 3.39Å; Q205-G209 WeakPolarHBondContact O-CA 2.73Å; Q205-G209 PolarHBondContact O-N 2.91Å
210	K	55.1	Low	66.3	Low	105 Å²	105	65.7 Å²	65.7	46%	0.457	35%	0.345	S	S	.	.	S	Bend	trans	-80.6	141.4	166.4	-69.8	-174.5	179.3	172.7	0	109.5	Q205 M212	Q205-K210 PolarHBondContact O-N 2.85Å; K210-M212 WeakPolarHBondContact O-CG 3.44Å; K210-M212 PolarHBondContact O-N 3Å
211	R	53.6	Low	65.7	Low	121 Å²	121	69.8 Å²	69.8	46%	0.457	36%	0.362	S	S	.	.			trans	-57.3	102.7	171.6	-107.8	-176.4	-176.2	-160.5	-0	109	Y246 N247	R211-Y246 PolarHBondContact NH1-O 2.99Å; R211-N247 PolarHBondContact NH1-OD1 2.91Å; R211-N247 VanDerWaalsContact NH1-OD1 3.09Å; R211-N247 PolarHBondContact NH2-OD1 3.02Å
212	M	57.8	Low	65.2	Low	50 Å²	50	65.7 Å²	65.7	25%	0.246	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-80.4	137.5	176.7	-52.6	-178	92.9	0	0	109	V207 K210 F221 F222 L223	V207-M212 HydrophobicContact CG1-CE 3.97Å; V207-M212 VanDerWaalsContact O-CE 3.28Å; V207-M212 WeakPolarHBondContact O-CE 3.33Å; V207-M212 WeakPolarHBondContact O-CG 3.34Å; K210-M212 WeakPolarHBondContact O-CG 3.44Å; K210-M212 PolarHBondContact O-N 3Å; M212-F221 HydrophobicContact CB-CB 4.15Å; M212-F221 HydrophobicContact CB-CD1 3.98Å; M212-F221 HydrophobicContact CE-CB 3.77Å; M212-F221 HydrophobicContact SD-CB 3.93Å; M212-F221 HydrophobicContact SD-CD1 4.43Å; M212-F221 HydrophobicContact SD-CG 4.42Å; M212-F222 CarbonylContact C-O 3.55Å; M212-F222 VanDerWaalsContact CA-O 3.24Å; M212-F222 WeakPolarHBondContact CA-O 3.4Å; M212-L223 HydrophobicContact CE-CD2 3.69Å; M212-L223 HydrophobicContact CE-CG 4.46Å
213	V	62.3	Low	64.4	Low	26 Å²	26	67.1 Å²	67.1	16%	0.158	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.8	171.3	-172.5	0	0	0	0	108.1	F221 F222 F228 Y246	V213-F221 WeakPolarHBondContact O-CA 3.24Å; V213-F222 PolarHBondContact N-O 2.81Å; V213-F222 PolarHBondContact O-N 3.29Å; V213-F228 HydrophobicContact CB-CB 4.16Å; V213-F228 HydrophobicContact CB-CD1 4.3Å; V213-F228 HydrophobicContact CB-CG 4.09Å; V213-F228 HydrophobicContact CG1-CB 4.21Å; V213-F228 HydrophobicContact CG1-CD1 3.46Å; V213-F228 VanDerWaalsContact CG1-CD1 3.46Å; V213-F228 HydrophobicContact CG1-CD2 4.05Å; V213-F228 HydrophobicContact CG1-CE1 3.71Å; V213-F228 HydrophobicContact CG1-CE2 4.29Å; V213-F228 HydrophobicContact CG1-CG 3.62Å; V213-F228 HydrophobicContact CG1-CZ 4.11Å; V213-Y246 HydrophobicContact CG2-CE2 4.44Å
214	K	63.7	Low	63.7	Low	99 Å²	99	68.2 Å²	68.2	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.1	175.3	-175.1	-165	167.8	-157.9	0	109.4	D220 F221	K214-D220 CarbonylContact C-O 3.46Å; K214-D220 WeakPolarHBondContact CA-O 3.49Å; K214-F221 HydrophobicContact CB-CD1 4.03Å; K214-F221 HydrophobicContact CB-CE1 3.83Å; K214-F221 HydrophobicContact CB-CZ 4.4Å; K214-F221 HydrophobicContact CD-CE1 4.41Å; K214-F221 HydrophobicContact CD-CZ 4.22Å; K214-F221 HydrophobicContact CG-CD1 4.4Å; K214-F221 HydrophobicContact CG-CE1 4.01Å; K214-F221 HydrophobicContact CG-CE2 4.49Å; K214-F221 HydrophobicContact CG-CZ 4.06Å
215	C	71.8	Confident	63.6	Low	0 Å²	0	68 Å²	68	0%	0	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-78.3	120.4	163.1	-174.8	0	0	0	0	109.7	Q217 C218 G219 D220 F222 F228 H231	C215-Q217 VanDerWaalsContact C-N 3.27Å; C215-Q217 PolarHBondContact O-N 2.81Å; C215-C218 VanDerWaalsContact CB-SG 3.58Å; C215-C218 VanDerWaalsContact SG-SG 3.68Å; C215-G219 WeakPolarHBondContact O-CA 3.39Å; C215-G219 PolarHBondContact O-N 3.3Å; C215-D220 PolarHBondContact N-O 2.95Å; C215-F222 HydrophobicContact CB-CE2 4.05Å; C215-F228 HydrophobicContact CB-CD2 4.46Å; C215-F228 HydrophobicContact CB-CE2 3.78Å; C215-H231 WeakPolarHBondContact CB-NE2 3.2Å; C215-H231 PolarHBondContact SG-NE2 2.83Å; C215-H231 VanDerWaalsContact SG-NE2 3.35Å
216	E	75.5	Confident	63.7	Low	124 Å²	124	67.4 Å²	67.4	58%	0.579	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25	177.8	-58.9	-135.8	115.4	0	0	112.6	Q245	E216-Q245 PolarHBondContact OE2-NE2 3.17Å; E216-Q245 PolarHBondContact OE2-OE1 3.23Å
217	Q	70.1	Confident	63.7	Low	123 Å²	123	65.6 Å²	65.6	58%	0.575	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-30	-177.9	-66.5	-176.9	-4.1	0	0	114.4	C215 H236	C215-Q217 VanDerWaalsContact C-N 3.27Å; C215-Q217 PolarHBondContact O-N 2.81Å; Q217-H236 VanDerWaalsContact OE1-CB 3.28Å; Q217-H236 PolarHBondContact OE1-ND1 2.82Å
218	C	71.7	Confident	64	Low	60 Å²	60	65.4 Å²	65.4	41%	0.405	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-9	178.3	71.2	0	0	0	0	115.1	C215 D220 H231	C215-C218 VanDerWaalsContact CB-SG 3.58Å; C215-C218 VanDerWaalsContact SG-SG 3.68Å; C218-D220 VanDerWaalsContact C-N 3.29Å; C218-D220 PolarHBondContact O-N 3.5Å; C218-D220 VanDerWaalsContact SG-CB 3.59Å; C218-D220 PolarHBondContact SG-OD2 3.41Å; C218-H231 PolarHBondContact SG-CE1 3.23Å; C218-H231 PolarHBondContact SG-NE2 2.94Å
219	G	61.3	Low	64.3	Low	30 Å²	30	70.5 Å²	70.5	31%	0.309	37%	0.373	S	S	.	.			trans	80.3	-5.3	-177.8	0	0	0	0	0	116	C215 F221	C215-G219 WeakPolarHBondContact O-CA 3.39Å; C215-G219 PolarHBondContact O-N 3.3Å; G219-F221 WeakPolarHBondContact O-CD2 3.12Å; G219-F221 WeakPolarHBondContact O-CE2 3.4Å
220	D	58.4	Low	65.1	Low	68 Å²	68	75.3 Å²	75.3	36%	0.364	38%	0.375	S	S	.	.			trans	-64.3	147.6	-179.4	-78.6	-43.4	0	0	0	112.8	K214 C215 C218 F222	K214-D220 CarbonylContact C-O 3.46Å; K214-D220 WeakPolarHBondContact CA-O 3.49Å; C215-D220 PolarHBondContact N-O 2.95Å; C218-D220 VanDerWaalsContact C-N 3.29Å; C218-D220 PolarHBondContact O-N 3.5Å; C218-D220 VanDerWaalsContact SG-CB 3.59Å; C218-D220 PolarHBondContact SG-OD2 3.41Å; D220-F222 HydrophobicContact CB-CE2 3.48Å; D220-F222 VanDerWaalsContact CB-CE2 3.48Å; D220-F222 HydrophobicContact CB-CZ 3.51Å; D220-F222 WeakPolarHBondContact O-CE2 3.15Å
221	F	62.4	Low	66.2	Low	114 Å²	114	71.2 Å²	71.2	50%	0.5	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.3	178.7	-70	-92.1	0	0	0	112.4	M212 V213 K214 G219	M212-F221 HydrophobicContact CB-CB 4.15Å; M212-F221 HydrophobicContact CB-CD1 3.98Å; M212-F221 HydrophobicContact CE-CB 3.77Å; M212-F221 HydrophobicContact SD-CB 3.93Å; M212-F221 HydrophobicContact SD-CD1 4.43Å; M212-F221 HydrophobicContact SD-CG 4.42Å; V213-F221 WeakPolarHBondContact O-CA 3.24Å; K214-F221 HydrophobicContact CB-CD1 4.03Å; K214-F221 HydrophobicContact CB-CE1 3.83Å; K214-F221 HydrophobicContact CB-CZ 4.4Å; K214-F221 HydrophobicContact CD-CE1 4.41Å; K214-F221 HydrophobicContact CD-CZ 4.22Å; K214-F221 HydrophobicContact CG-CD1 4.4Å; K214-F221 HydrophobicContact CG-CE1 4.01Å; K214-F221 HydrophobicContact CG-CE2 4.49Å; K214-F221 HydrophobicContact CG-CZ 4.06Å; G219-F221 WeakPolarHBondContact O-CD2 3.12Å; G219-F221 WeakPolarHBondContact O-CE2 3.4Å
222	F	59.7	Low	67	Low	27 Å²	27	67 Å²	67	12%	0.118	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.3	-173.6	-61.4	-80.8	0	0	0	112.9	M212 V213 C215 D220 S224 I227 F228 H231	M212-F222 CarbonylContact C-O 3.55Å; M212-F222 VanDerWaalsContact CA-O 3.24Å; M212-F222 WeakPolarHBondContact CA-O 3.4Å; V213-F222 PolarHBondContact N-O 2.81Å; V213-F222 PolarHBondContact O-N 3.29Å; C215-F222 HydrophobicContact CB-CE2 4.05Å; D220-F222 HydrophobicContact CB-CE2 3.48Å; D220-F222 VanDerWaalsContact CB-CE2 3.48Å; D220-F222 HydrophobicContact CB-CZ 3.51Å; D220-F222 WeakPolarHBondContact O-CE2 3.15Å; F222-S224 VanDerWaalsContact C-N 3.31Å; F222-S224 PolarHBondContact O-N 2.76Å; F222-I227 HydrophobicContact CD1-CG2 3.81Å; F222-F228 HydrophobicContact CB-CB 3.87Å; F222-F228 HydrophobicContact CD2-CB 4.18Å; F222-F228 AromaticContact CD2-CD2 3.6Å; F222-F228 HydrophobicContact CD2-CD2 3.6Å; F222-F228 HydrophobicContact CD2-CG 4.35Å; F222-F228 HydrophobicContact CE2-CD2 4.04Å; F222-F228 HydrophobicContact CG-CB 4.07Å; F222-F228 HydrophobicContact CG-CD2 4.32Å; F222-H231 HydrophobicContact CD1-CB 4.4Å; F222-H231 HydrophobicContact CE1-CB 3.69Å; F222-H231 AromaticContact CE1-CG 3.77Å; F222-H231 HydrophobicContact CE2-CB 4.31Å; F222-H231 AromaticContact CE2-CD2 3.39Å; F222-H231 WeakPolarHBondContact CE2-CD2 3.46Å; F222-H231 AromaticContact CE2-CG 3.75Å; F222-H231 AromaticContact CE2-NE2 3.69Å; F222-H231 HydrophobicContact CZ-CB 3.65Å; F222-H231 AromaticContact CZ-CD2 3.35Å; F222-H231 WeakPolarHBondContact CZ-CD2 3.5Å; F222-H231 AromaticContact CZ-CE1 3.72Å; F222-H231 AromaticContact CZ-CG 3.19Å; F222-H231 AromaticContact CZ-ND1 3.45Å; F222-H231 WeakPolarHBondContact CZ-ND1 3.19Å; F222-H231 AromaticContact CZ-NE2 3.67Å
223	L	56.1	Low	67.9	Low	79 Å²	79	69.5 Å²	69.5	41%	0.414	35%	0.354	S	S	.	.	S	Bend	trans	-77.4	-11.1	-173.1	-62	172.3	0	0	0	114.9	V207 M212	V207-L223 HydrophobicContact CB-CD2 4.25Å; V207-L223 HydrophobicContact CG1-CD2 4.07Å; V207-L223 WeakPolarHBondContact O-CD2 3.12Å; M212-L223 HydrophobicContact CE-CD2 3.69Å; M212-L223 HydrophobicContact CE-CG 4.46Å
224	S	62.4	Low	68.6	Low	39 Å²	39	72.6 Å²	72.6	27%	0.273	37%	0.373	S	S	.	.	S	Bend	trans	-154.8	154.7	173.1	74.1	0	0	0	0	110.4	F222 S226 I227 F228	F222-S224 VanDerWaalsContact C-N 3.31Å; F222-S224 PolarHBondContact O-N 2.76Å; S224-S226 PolarHBondContact O-N 2.59Å; S224-S226 PolarHBondContact OG-N 3.28Å; S224-S226 PolarHBondContact OG-OG 3.48Å; S224-I227 PolarHBondContact O-N 3.45Å; S224-I227 WeakPolarHBondContact OG-CG1 3.1Å; S224-I227 PolarHBondContact OG-N 3.46Å; S224-F228 PolarHBondContact O-N 2.59Å
225	G	67.1	Low	69	Low	42 Å²	42	77.1 Å²	77.1	43%	0.433	39%	0.388	S	S	.	.	H	α-helix	trans	-59.1	-30.6	172.6	0	0	0	0	0	113.4	F228 R229	G225-F228 PolarHBondContact O-N 3.2Å; G225-R229 WeakPolarHBondContact O-CB 3.38Å; G225-R229 PolarHBondContact O-N 3.1Å
226	S	71.4	Confident	69.2	Low	82 Å²	82	79.3 Å²	79.3	57%	0.573	40%	0.398	S	S	*	.	H	α-helix	trans	-69.2	-35.5	177	49.1	0	0	0	0	113.5	S224 R230	S224-S226 PolarHBondContact O-N 2.59Å; S224-S226 PolarHBondContact OG-N 3.28Å; S224-S226 PolarHBondContact OG-OG 3.48Å; S226-R230 PolarHBondContact O-N 3.12Å
227	I	65.3	Low	68.5	Low	69 Å²	69	82.2 Å²	82.2	35%	0.354	41%	0.408	S	S	.	.	H	α-helix	trans	-75.2	-38.3	173.4	-60.8	176.9	0	0	0	110.3	F222 S224 R230 H231	F222-I227 HydrophobicContact CD1-CG2 3.81Å; S224-I227 PolarHBondContact O-N 3.45Å; S224-I227 WeakPolarHBondContact OG-CG1 3.1Å; S224-I227 PolarHBondContact OG-N 3.46Å; I227-R230 PolarHBondContact O-N 3.14Å; I227-H231 PolarHBondContact O-N 3.36Å
228	F	73.5	Confident	67.6	Low	25 Å²	25	79.9 Å²	79.9	11%	0.11	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-50.1	175.4	173.5	-118.9	0	0	0	112.7	V213 C215 F222 S224 G225 R230 H231 Q232	V213-F228 HydrophobicContact CB-CB 4.16Å; V213-F228 HydrophobicContact CB-CD1 4.3Å; V213-F228 HydrophobicContact CB-CG 4.09Å; V213-F228 HydrophobicContact CG1-CB 4.21Å; V213-F228 HydrophobicContact CG1-CD1 3.46Å; V213-F228 VanDerWaalsContact CG1-CD1 3.46Å; V213-F228 HydrophobicContact CG1-CD2 4.05Å; V213-F228 HydrophobicContact CG1-CE1 3.71Å; V213-F228 HydrophobicContact CG1-CE2 4.29Å; V213-F228 HydrophobicContact CG1-CG 3.62Å; V213-F228 HydrophobicContact CG1-CZ 4.11Å; C215-F228 HydrophobicContact CB-CD2 4.46Å; C215-F228 HydrophobicContact CB-CE2 3.78Å; F222-F228 HydrophobicContact CB-CB 3.87Å; F222-F228 HydrophobicContact CD2-CB 4.18Å; F222-F228 AromaticContact CD2-CD2 3.6Å; F222-F228 HydrophobicContact CD2-CD2 3.6Å; F222-F228 HydrophobicContact CD2-CG 4.35Å; F222-F228 HydrophobicContact CE2-CD2 4.04Å; F222-F228 HydrophobicContact CG-CB 4.07Å; F222-F228 HydrophobicContact CG-CD2 4.32Å; S224-F228 PolarHBondContact O-N 2.59Å; G225-F228 PolarHBondContact O-N 3.2Å; F228-R230 VanDerWaalsContact C-N 3.33Å; F228-R230 PolarHBondContact O-N 2.88Å; F228-H231 WeakPolarHBondContact O-CA 3.23Å; F228-H231 WeakPolarHBondContact O-CB 3.49Å; F228-H231 PolarHBondContact O-N 3.38Å; F228-Q232 HydrophobicContact CD2-CG 4.43Å; F228-Q232 HydrophobicContact CE2-CG 3.83Å; F228-Q232 HydrophobicContact CZ-CG 3.93Å; F228-Q232 PolarHBondContact O-N 3.41Å
229	R	73	Confident	65.9	Low	145 Å²	145	85.1 Å²	85.1	55%	0.547	44%	0.438	S	S	.	.	H	α-helix	trans	-56.1	-47.9	178.4	-173.5	179.8	69.6	-168.4	-0.9	111.3	G225 H231 Q232 E233	G225-R229 WeakPolarHBondContact O-CB 3.38Å; G225-R229 PolarHBondContact O-N 3.1Å; R229-H231 VanDerWaalsContact C-N 3.29Å; R229-H231 PolarHBondContact O-N 3.38Å; R229-Q232 PolarHBondContact O-N 2.97Å; R229-Q232 VanDerWaalsContact O-N 3.13Å; R229-E233 WeakPolarHBondContact CD-OE1 3.15Å; R229-E233 HydrophobicContact CG-CG 4.38Å; R229-E233 WeakPolarHBondContact CG-OE1 3.49Å; R229-E233 IonicContact NE-OE1 3.45Å; R229-E233 WeakPolarHBondContact O-CB 3.44Å; R229-E233 WeakPolarHBondContact O-CG 3.3Å; R229-E233 PolarHBondContact O-N 3.34Å
230	R	75.6	Confident	64.7	Low	153 Å²	153	93.9 Å²	93.9	58%	0.577	47%	0.468	S	S	*	.	H	α-helix	trans	-61.3	-35.2	175.7	-175.3	177.3	62.7	109.3	-0.8	112.8	S226 I227 F228 E233 T234	S226-R230 PolarHBondContact O-N 3.12Å; I227-R230 PolarHBondContact O-N 3.14Å; F228-R230 VanDerWaalsContact C-N 3.33Å; F228-R230 PolarHBondContact O-N 2.88Å; R230-E233 WeakPolarHBondContact CA-OE2 3.31Å; R230-T234 HydrophobicContact CG-CG2 4.47Å; R230-T234 WeakPolarHBondContact O-CB 3.45Å; R230-T234 VanDerWaalsContact O-CG2 3.32Å; R230-T234 WeakPolarHBondContact O-CG2 3.32Å; R230-T234 PolarHBondContact O-N 3.2Å; R230-T234 VanDerWaalsContact O-N 3.14Å; R230-T234 PolarHBondContact O-OG1 3.3Å
231	H	78.3	Confident	63.9	Low	19 Å²	19	95 Å²	95	9%	0.088	47%	0.473	C	S	.	.	H	α-helix	trans	-64.5	-46.3	173.4	154	81.4	0	0	0	111	C215 C218 F222 I227 F228 R229 T234 R235 H236	C215-H231 WeakPolarHBondContact CB-NE2 3.2Å; C215-H231 PolarHBondContact SG-NE2 2.83Å; C215-H231 VanDerWaalsContact SG-NE2 3.35Å; C218-H231 PolarHBondContact SG-CE1 3.23Å; C218-H231 PolarHBondContact SG-NE2 2.94Å; F222-H231 HydrophobicContact CD1-CB 4.4Å; F222-H231 HydrophobicContact CE1-CB 3.69Å; F222-H231 AromaticContact CE1-CG 3.77Å; F222-H231 HydrophobicContact CE2-CB 4.31Å; F222-H231 AromaticContact CE2-CD2 3.39Å; F222-H231 WeakPolarHBondContact CE2-CD2 3.46Å; F222-H231 AromaticContact CE2-CG 3.75Å; F222-H231 AromaticContact CE2-NE2 3.69Å; F222-H231 HydrophobicContact CZ-CB 3.65Å; F222-H231 AromaticContact CZ-CD2 3.35Å; F222-H231 WeakPolarHBondContact CZ-CD2 3.5Å; F222-H231 AromaticContact CZ-CE1 3.72Å; F222-H231 AromaticContact CZ-CG 3.19Å; F222-H231 AromaticContact CZ-ND1 3.45Å; F222-H231 WeakPolarHBondContact CZ-ND1 3.19Å; F222-H231 AromaticContact CZ-NE2 3.67Å; I227-H231 PolarHBondContact O-N 3.36Å; F228-H231 WeakPolarHBondContact O-CA 3.23Å; F228-H231 WeakPolarHBondContact O-CB 3.49Å; F228-H231 PolarHBondContact O-N 3.38Å; R229-H231 VanDerWaalsContact C-N 3.29Å; R229-H231 PolarHBondContact O-N 3.38Å; H231-T234 PolarHBondContact O-N 2.95Å; H231-T234 PolarHBondContact O-OG1 3.15Å; H231-R235 WeakPolarHBondContact O-CB 3.45Å; H231-R235 PolarHBondContact O-N 3.15Å; H231-H236 AromaticContact CE1-CD2 3.73Å; H231-H236 AromaticContact CE1-NE2 3.41Å; H231-H236 PolarHBondContact CE1-NE2 2.98Å; H231-H236 AromaticContact NE2-CD2 3.4Å; H231-H236 PolarHBondContact NE2-CD2 3.46Å; H231-H236 AromaticContact NE2-NE2 3.3Å; H231-H236 PolarHBondContact NE2-NE2 3.27Å
232	Q	69.3	Low	62.4	Low	34 Å²	34	93.7 Å²	93.7	16%	0.159	48%	0.478	C	S	.	.	H	α-helix	trans	-63.1	-45.4	175	-70.9	-171.6	-69.6	0	0	112.4	F228 R229 T234 H236 K237 I241	F228-Q232 HydrophobicContact CD2-CG 4.43Å; F228-Q232 HydrophobicContact CE2-CG 3.83Å; F228-Q232 HydrophobicContact CZ-CG 3.93Å; F228-Q232 PolarHBondContact O-N 3.41Å; R229-Q232 PolarHBondContact O-N 2.97Å; R229-Q232 VanDerWaalsContact O-N 3.13Å; Q232-T234 PolarHBondContact O-N 3.27Å; Q232-T234 VanDerWaalsContact O-N 3.11Å; Q232-H236 HydrophobicContact CB-CB 4.4Å; Q232-H236 CarbonylContact O-C 3.49Å; Q232-H236 VanDerWaalsContact O-CA 3.25Å; Q232-H236 WeakPolarHBondContact O-CA 3.47Å; Q232-H236 WeakPolarHBondContact O-CB 3.4Å; Q232-H236 PolarHBondContact O-N 3.05Å; Q232-K237 PolarHBondContact O-N 2.95Å; Q232-I241 VanDerWaalsContact OE1-CG1 3.32Å
233	E	77.5	Confident	61.3	Low	102 Å²	102	98.3 Å²	98.3	48%	0.477	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-21.9	176.7	-71.9	164.9	172.2	0	0	114.1	R229 R230 K237	R229-E233 WeakPolarHBondContact CD-OE1 3.15Å; R229-E233 HydrophobicContact CG-CG 4.38Å; R229-E233 WeakPolarHBondContact CG-OE1 3.49Å; R229-E233 IonicContact NE-OE1 3.45Å; R229-E233 WeakPolarHBondContact O-CB 3.44Å; R229-E233 WeakPolarHBondContact O-CG 3.3Å; R229-E233 PolarHBondContact O-N 3.34Å; R230-E233 WeakPolarHBondContact CA-OE2 3.31Å; E233-K237 WeakPolarHBondContact O-CE 3.23Å; E233-K237 WeakPolarHBondContact O-CG 3.47Å
234	T	76.4	Confident	60.4	Low	90 Å²	90	103.2 Å²	103.2	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-110.2	-22.9	-177.4	56.1	0	0	0	0	114.7	R230 H231 Q232	R230-T234 HydrophobicContact CG-CG2 4.47Å; R230-T234 WeakPolarHBondContact O-CB 3.45Å; R230-T234 VanDerWaalsContact O-CG2 3.32Å; R230-T234 WeakPolarHBondContact O-CG2 3.32Å; R230-T234 PolarHBondContact O-N 3.2Å; R230-T234 VanDerWaalsContact O-N 3.14Å; R230-T234 PolarHBondContact O-OG1 3.3Å; H231-T234 PolarHBondContact O-N 2.95Å; H231-T234 PolarHBondContact O-OG1 3.15Å; Q232-T234 PolarHBondContact O-N 3.27Å; Q232-T234 VanDerWaalsContact O-N 3.11Å
235	R	72.9	Confident	59.1	Low	195 Å²	195	107.9 Å²	107.9	74%	0.736	55%	0.549	S	S	*	.	H	α-helix	trans	-116.2	-18.2	-178.3	-61.5	-56.9	-172.5	120.6	-8.5	114.2	H231	H231-R235 WeakPolarHBondContact O-CB 3.45Å; H231-R235 PolarHBondContact O-N 3.15Å
236	H	76	Confident	57.2	Low	45 Å²	45	112.7 Å²	112.7	21%	0.208	56%	0.555	C	S	.	*			trans	-136.3	39.1	-171.2	-58.5	-64.3	0	0	0	111.5	Q217 H231 Q232 G238	Q217-H236 VanDerWaalsContact OE1-CB 3.28Å; Q217-H236 PolarHBondContact OE1-ND1 2.82Å; H231-H236 AromaticContact CE1-CD2 3.73Å; H231-H236 AromaticContact CE1-NE2 3.41Å; H231-H236 PolarHBondContact CE1-NE2 2.98Å; H231-H236 AromaticContact NE2-CD2 3.4Å; H231-H236 PolarHBondContact NE2-CD2 3.46Å; H231-H236 AromaticContact NE2-NE2 3.3Å; H231-H236 PolarHBondContact NE2-NE2 3.27Å; Q232-H236 HydrophobicContact CB-CB 4.4Å; Q232-H236 CarbonylContact O-C 3.49Å; Q232-H236 VanDerWaalsContact O-CA 3.25Å; Q232-H236 WeakPolarHBondContact O-CA 3.47Å; Q232-H236 WeakPolarHBondContact O-CB 3.4Å; Q232-H236 PolarHBondContact O-N 3.05Å; H236-G238 PolarHBondContact O-N 2.99Å
237	K	60.2	Low	55.5	Low	185 Å²	185	115.4 Å²	115.4	80%	0.804	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	111.6	176.5	-77.9	-168.8	172.1	-175.5	0	110	Q232 E233	Q232-K237 PolarHBondContact O-N 2.95Å; E233-K237 WeakPolarHBondContact O-CE 3.23Å; E233-K237 WeakPolarHBondContact O-CG 3.47Å
238	G	50.5	Low	54	Low	75 Å²	75	116.8 Å²	116.8	77%	0.773	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.1	-33	172.1	0	0	0	0	0	117	H236	H236-G238 PolarHBondContact O-N 2.99Å
239	M	36.6	Very low	52	Low	170 Å²	170	120.5 Å²	120.5	84%	0.837	61%	0.605	S	S	*	*			trans	-138.1	151	-170.2	-71.5	-171	173.2	0	0	115.7
240	K	35.4	Very low	50.2	Low	213 Å²	213	119.2 Å²	119.2	93%	0.926	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-72.5	143.9	-178.7	-64.6	176.1	174.6	174.9	0	111.3
241	I	43.2	Very low	48.2	Very low	91 Å²	91	116.5 Å²	116.5	47%	0.467	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-89.3	126.2	176.8	-50.9	165.9	0	0	0	109.2	Q232	Q232-I241 VanDerWaalsContact OE1-CG1 3.32Å
242	S	31.1	Very low	45.9	Very low	87 Å²	87	127.8 Å²	127.8	61%	0.608	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-82.1	129.8	166.3	52.8	0	0	0	0	110.1	Q244	S242-Q244 PolarHBondContact O-N 3.36Å
243	P	35.6	Very low	44.2	Very low	125 Å²	125	135.4 Å²	135.4	81%	0.812	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	3.5	-170	-24.7	35.5	0	0	0	118.1
244	Q	37.9	Very low	41.9	Very low	181 Å²	181	137 Å²	137	85%	0.846	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-11.8	-156.9	-72.2	-174	-19.3	0	0	117.1	S242 Y246	S242-Q244 PolarHBondContact O-N 3.36Å; Q244-Y246 PolarHBondContact O-N 2.79Å
245	Q	34.2	Very low	39.7	Very low	138 Å²	138	140.2 Å²	140.2	65%	0.645	72%	0.721	S	S	*	*			trans	-82.9	64.9	178.4	-75.4	-179.1	-30.3	0	0	112.6	E216	E216-Q245 PolarHBondContact OE2-NE2 3.17Å; E216-Q245 PolarHBondContact OE2-OE1 3.23Å
246	Y	27.8	Very low	37.6	Very low	143 Å²	143	141 Å²	141	56%	0.561	73%	0.729	S	S	*	*			trans	-119.8	54.2	176.9	-143.1	-97.4	0	0	0	112.3	R211 V213 Q244	R211-Y246 PolarHBondContact NH1-O 2.99Å; V213-Y246 HydrophobicContact CG2-CE2 4.44Å; Q244-Y246 PolarHBondContact O-N 2.79Å
247	N	34.3	Very low	35.4	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	76%	0.764	S	S	*	*			trans	-161.8	102.6	170.2	-88.5	-32.9	0	0	0	113.4	R211	R211-N247 PolarHBondContact NH1-OD1 2.91Å; R211-N247 VanDerWaalsContact NH1-OD1 3.09Å; R211-N247 PolarHBondContact NH2-OD1 3.02Å
248	S	34.1	Very low	33.8	Very low	97 Å²	97	150.1 Å²	150.1	68%	0.678	77%	0.77	S	S	*	*			trans	-159	130.9	142.3	-159.2	0	0	0	0	111.1
249	P	32.1	Very low	32.8	Very low	103 Å²	103	151.7 Å²	151.7	67%	0.669	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-75.6	134.7	168.7	-4.7	21.9	0	0	0	110	P251	P249-P251 VanDerWaalsContact O-CD 3.28Å; P249-P251 WeakPolarHBondContact O-CD 3.41Å
250	V	35.6	Very low	32.5	Very low	118 Å²	118	149.3 Å²	149.3	72%	0.715	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-68.8	120.2	169.5	-175.7	0	0	0	0	108.4	R252	V250-R252 PolarHBondContact O-N 3.19Å
251	P	32.3	Very low	32.5	Very low	97 Å²	97	147.6 Å²	147.6	63%	0.63	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-69.5	133.9	-177.3	-18.3	31.9	0	0	0	111.2	P249 K253	P249-P251 VanDerWaalsContact O-CD 3.28Å; P249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-K253 HydrophobicContact CB-CG 4.49Å; P251-K253 PolarHBondContact O-N 3.1Å; P251-K253 VanDerWaalsContact O-N 3.16Å
252	R	31	Very low	32.1	Very low	255 Å²	255	146.5 Å²	146.5	96%	0.962	78%	0.775	S	S	*	*			trans	-66.4	110.2	158.5	-69.2	-178.8	178.7	-178.9	0.4	107.6	V250	V250-R252 PolarHBondContact O-N 3.19Å
253	K	32.8	Very low	32.4	Very low	194 Å²	194	152.5 Å²	152.5	84%	0.843	78%	0.784	S	S	*	*			trans	-126	127.3	165.7	-79.5	-165.4	173.6	-175.8	0	111.6	P251	P251-K253 HydrophobicContact CB-CG 4.49Å; P251-K253 PolarHBondContact O-N 3.1Å; P251-K253 VanDerWaalsContact O-N 3.16Å
254	T	30.1	Very low	32.7	Very low	135 Å²	135	152.7 Å²	152.7	83%	0.828	78%	0.778	S	S	*	*			trans	-70.5	151	174.4	43	0	0	0	0	111.2
255	N	31	Very low	33.5	Very low	158 Å²	158	147.5 Å²	147.5	85%	0.845	76%	0.755	S	S	*	*			trans	22.6	98.3	160.4	-71.4	-12.1	0	0	0	118
256	K	28.8	Very low	34.9	Very low	211 Å²	211	142.8 Å²	142.8	92%	0.917	73%	0.733	S	S	*	*			trans	-164.7	143.1	131.1	-106.2	161.9	-172.1	-175	0	110.5	R258	K256-R258 PolarHBondContact O-N 3.27Å
257	L	28.8	Very low	36.2	Very low	180 Å²	180	141.8 Å²	141.8	94%	0.942	73%	0.731	S	S	*	*			trans	-58.3	129.2	-173.8	-66.4	127.5	0	0	0	112.1
258	R	26.1	Very low	37.7	Very low	243 Å²	243	135.2 Å²	135.2	92%	0.917	70%	0.696	S	S	*	*			trans	-142.6	155.7	159	-103.7	-165.2	168	177.7	-2.8	110.5	K256	K256-R258 PolarHBondContact O-N 3.27Å
259	P	29.5	Very low	39.2	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	71%	0.705	S	S	*	*			trans	-68.6	160.3	-165	-16.2	29.4	0	0	0	113.4	L261	P259-L261 PolarHBondContact O-N 3.26Å
260	P	31.9	Very low	40.6	Very low	121 Å²	121	134 Å²	134	79%	0.786	70%	0.696	S	S	*	*			trans	-68.4	102.5	-179.9	28.6	-34.4	0	0	0	111.1	G262	P260-G262 PolarHBondContact O-N 3.08Å
261	L	33.9	Very low	42.1	Very low	176 Å²	176	131.1 Å²	131.1	92%	0.921	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-54.7	128.3	161.8	-82.4	160.9	0	0	0	108.4	P259 R263	P259-L261 PolarHBondContact O-N 3.26Å; L261-R263 PolarHBondContact O-N 3.06Å
262	G	35.1	Very low	43.2	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-51.5	133.8	-156.8	0	0	0	0	0	114	P260 L264	P260-G262 PolarHBondContact O-N 3.08Å; G262-L264 PolarHBondContact O-N 2.79Å; G262-L264 VanDerWaalsContact O-N 3.17Å
263	R	38.1	Very low	44.3	Very low	212 Å²	212	126.1 Å²	126.1	80%	0.8	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52	125.4	173.3	-66.4	-178.7	178.9	-171.3	-0.1	108.9	L261 I265	L261-R263 PolarHBondContact O-N 3.06Å; R263-I265 HydrophobicContact CB-CD1 4.05Å; R263-I265 HydrophobicContact CB-CG1 3.41Å; R263-I265 VanDerWaalsContact CB-CG1 3.41Å; R263-I265 HydrophobicContact CG-CG1 4.5Å; R263-I265 WeakPolarHBondContact O-CG1 3.35Å; R263-I265 PolarHBondContact O-N 3.39Å
264	L	41.4	Very low	45.7	Very low	129 Å²	129	119.7 Å²	119.7	68%	0.675	64%	0.64	S	S	*	*			trans	-72.5	74.8	164.6	-92.1	162.3	0	0	0	108.9	G262 F266	G262-L264 PolarHBondContact O-N 2.79Å; G262-L264 VanDerWaalsContact O-N 3.17Å; L264-F266 WeakPolarHBondContact O-CE2 3.29Å
265	I	56	Low	47.1	Very low	73 Å²	73	115.2 Å²	115.2	37%	0.374	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-84.6	117.6	178.4	-26.2	170	0	0	0	108.9	R263 K267 F275	R263-I265 HydrophobicContact CB-CD1 4.05Å; R263-I265 HydrophobicContact CB-CG1 3.41Å; R263-I265 VanDerWaalsContact CB-CG1 3.41Å; R263-I265 HydrophobicContact CG-CG1 4.5Å; R263-I265 WeakPolarHBondContact O-CG1 3.35Å; R263-I265 PolarHBondContact O-N 3.39Å; I265-K267 PolarHBondContact O-N 3.27Å; I265-F275 VanDerWaalsContact CG2-O 3.23Å; I265-F275 WeakPolarHBondContact CG2-O 3.49Å
266	F	62.9	Low	48.5	Very low	39 Å²	39	110.7 Å²	110.7	17%	0.171	60%	0.595	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	118.4	177.7	-62.2	-81.9	0	0	0	108.6	L264 F275 R278 V281	L264-F266 WeakPolarHBondContact O-CE2 3.29Å; F266-F275 PolarHBondContact N-O 2.96Å; F266-F275 PolarHBondContact O-N 3.41Å; F266-R278 HydrophobicContact CB-CG 4.48Å; F266-R278 HydrophobicContact CD1-CG 3.38Å; F266-R278 HydrophobicContact CE1-CG 3.67Å; F266-R278 HydrophobicContact CG-CG 3.86Å; F266-R278 HydrophobicContact CZ-CG 4.36Å; F266-V281 HydrophobicContact CB-CG2 3.5Å; F266-V281 VanDerWaalsContact O-CG2 3.32Å; F266-V281 WeakPolarHBondContact O-CG2 3.37Å
267	K	54.2	Low	50.2	Low	122 Å²	122	101.8 Å²	101.8	53%	0.53	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	139	-177.5	-52	-164.8	-176.3	179.4	0	110.6	I265 N272 K273	I265-K267 PolarHBondContact O-N 3.27Å; K267-N272 WeakPolarHBondContact CD-OD1 3.44Å; K267-K273 CarbonylContact C-O 3.59Å; K267-K273 WeakPolarHBondContact CA-O 3.45Å
268	C	66.3	Low	52	Low	1 Å²	1	102 Å²	102	1%	0.007	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-70.2	127.8	170.5	-175.4	0	0	0	0	109.9	S270 N272 K273 F275 V281 H284 H289	C268-S270 PolarHBondContact O-N 2.75Å; C268-N272 WeakPolarHBondContact O-CA 3.48Å; C268-N272 PolarHBondContact O-N 3.29Å; C268-K273 PolarHBondContact N-O 3.08Å; C268-F275 HydrophobicContact CB-CE2 4.15Å; C268-V281 HydrophobicContact CB-CG1 4.3Å; C268-H284 WeakPolarHBondContact CB-NE2 3.48Å; C268-H284 VanDerWaalsContact SG-CD2 3.53Å; C268-H284 PolarHBondContact SG-NE2 2.83Å; C268-H289 PolarHBondContact SG-CD2 3.04Å
269	A	64.9	Low	54	Low	104 Å²	104	94.3 Å²	94.3	86%	0.86	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-29.3	-178.7	0	0	0	0	0	113.2
270	S	62.6	Low	55.6	Low	70 Å²	70	92.2 Å²	92.2	49%	0.49	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21.4	-175.1	-54.6	0	0	0	0	115.2	C268 Y285	C268-S270 PolarHBondContact O-N 2.75Å; S270-Y285 WeakPolarHBondContact OG-CE2 3.41Å
271	C	66.3	Low	57.2	Low	58 Å²	58	87.6 Å²	87.6	39%	0.392	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	6.4	-178.4	68.7	0	0	0	0	114.7	K273 H284 H289	C271-K273 PolarHBondContact O-N 2.7Å; C271-K273 WeakPolarHBondContact SG-CB 3.39Å; C271-H284 PolarHBondContact SG-NE2 2.88Å; C271-H289 PolarHBondContact SG-NE2 2.85Å
272	N	55.2	Low	58.8	Low	108 Å²	108	82 Å²	82	58%	0.578	46%	0.462	S	S	*	.			trans	57.2	3.1	-178	-141.9	1.4	0	0	0	115.9	K267 C268 S274	K267-N272 WeakPolarHBondContact CD-OD1 3.44Å; C268-N272 WeakPolarHBondContact O-CA 3.48Å; C268-N272 PolarHBondContact O-N 3.29Å; N272-S274 PolarHBondContact O-OG 3.05Å
273	K	54.4	Low	60.2	Low	139 Å²	139	83.3 Å²	83.3	60%	0.604	45%	0.452	S	S	*	.			trans	-63.2	143.4	-179.8	-153.4	171.2	-163.4	174.8	0	110.1	K267 C268 C271 F275	K267-K273 CarbonylContact C-O 3.59Å; K267-K273 WeakPolarHBondContact CA-O 3.45Å; C268-K273 PolarHBondContact N-O 3.08Å; C271-K273 PolarHBondContact O-N 2.7Å; C271-K273 WeakPolarHBondContact SG-CB 3.39Å; K273-F275 VanDerWaalsContact C-CE2 3.46Å; K273-F275 HydrophobicContact CB-CE2 3.91Å; K273-F275 HydrophobicContact CB-CZ 4.22Å; K273-F275 HydrophobicContact CD-CZ 4.43Å; K273-F275 HydrophobicContact CG-CE2 4.32Å; K273-F275 HydrophobicContact CG-CZ 4.24Å; K273-F275 VanDerWaalsContact O-CD2 3.24Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.47Å
274	S	61.8	Low	61.9	Low	58 Å²	58	74.2 Å²	74.2	41%	0.406	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	-156.2	-80.7	0	0	0	0	111.7	N272	N272-S274 PolarHBondContact O-OG 3.05Å
275	F	60.7	Low	63.1	Low	41 Å²	41	73.3 Å²	73.3	18%	0.18	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.7	-170.5	-59.8	-91.1	0	0	0	114.3	I265 F266 C268 K273 D280 V281 H284	I265-F275 VanDerWaalsContact CG2-O 3.23Å; I265-F275 WeakPolarHBondContact CG2-O 3.49Å; F266-F275 PolarHBondContact N-O 2.96Å; F266-F275 PolarHBondContact O-N 3.41Å; C268-F275 HydrophobicContact CB-CE2 4.15Å; K273-F275 VanDerWaalsContact C-CE2 3.46Å; K273-F275 HydrophobicContact CB-CE2 3.91Å; K273-F275 HydrophobicContact CB-CZ 4.22Å; K273-F275 HydrophobicContact CD-CZ 4.43Å; K273-F275 HydrophobicContact CG-CE2 4.32Å; K273-F275 HydrophobicContact CG-CZ 4.24Å; K273-F275 VanDerWaalsContact O-CD2 3.24Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.47Å; F275-D280 HydrophobicContact CB-CB 3.94Å; F275-D280 HydrophobicContact CD1-CB 4.04Å; F275-D280 HydrophobicContact CG-CB 4.33Å; F275-V281 HydrophobicContact CB-CG2 3.77Å; F275-V281 HydrophobicContact CD2-CG2 3.75Å; F275-V281 HydrophobicContact CG-CG2 4Å; F275-H284 HydrophobicContact CD1-CB 4.37Å; F275-H284 HydrophobicContact CE1-CB 3.62Å; F275-H284 AromaticContact CE1-CG 3.78Å; F275-H284 HydrophobicContact CE2-CB 4.11Å; F275-H284 AromaticContact CE2-CD2 3.25Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.29Å; F275-H284 AromaticContact CE2-CG 3.63Å; F275-H284 AromaticContact CE2-NE2 3.75Å; F275-H284 HydrophobicContact CZ-CB 3.49Å; F275-H284 VanDerWaalsContact CZ-CB 3.49Å; F275-H284 AromaticContact CZ-CD2 3.26Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.18Å; F275-H284 AromaticContact CZ-CE1 3.92Å; F275-H284 AromaticContact CZ-CG 3.1Å; F275-H284 AromaticContact CZ-ND1 3.56Å; F275-H284 AromaticContact CZ-NE2 3.75Å
276	A	58.9	Low	63.6	Low	64 Å²	64	77.1 Å²	77.1	53%	0.529	42%	0.421	S	S	.	.	S	Bend	trans	-73.5	-25	-177	0	0	0	0	0	114.4	R192	R192-A276 PolarHBondContact NE-O 3Å; R192-A276 PolarHBondContact NH2-O 3.37Å
277	S	65.1	Low	63.5	Low	23 Å²	23	79.4 Å²	79.4	16%	0.161	43%	0.432	C	S	.	.	S	Bend	trans	-142.8	162.7	176.7	82.6	0	0	0	0	113.4	S279 D280 V281	S277-S279 PolarHBondContact O-N 3.12Å; S277-S279 PolarHBondContact OG-N 3.26Å; S277-D280 VanDerWaalsContact CB-OD2 3.23Å; S277-D280 WeakPolarHBondContact CB-OD2 3.35Å; S277-D280 PolarHBondContact N-OD2 3.36Å; S277-D280 PolarHBondContact O-N 2.97Å; S277-D280 PolarHBondContact OG-N 2.93Å; S277-D280 VanDerWaalsContact OG-N 3.15Å; S277-D280 PolarHBondContact OG-OD2 3.48Å; S277-V281 PolarHBondContact O-N 3.08Å; S277-V281 VanDerWaalsContact O-N 3.16Å
278	R	67.3	Low	64	Low	184 Å²	184	77.8 Å²	77.8	69%	0.694	43%	0.432	S	S	*	.	H	α-helix	trans	-64.1	-29	171.1	-75.1	-168.7	167.4	100.5	1.1	112.9	F266 D280 V281 A282	F266-R278 HydrophobicContact CB-CG 4.48Å; F266-R278 HydrophobicContact CD1-CG 3.38Å; F266-R278 HydrophobicContact CE1-CG 3.67Å; F266-R278 HydrophobicContact CG-CG 3.86Å; F266-R278 HydrophobicContact CZ-CG 4.36Å; R278-D280 VanDerWaalsContact C-N 3.34Å; R278-V281 PolarHBondContact O-N 3.19Å; R278-A282 WeakPolarHBondContact O-CB 3.43Å; R278-A282 PolarHBondContact O-N 3.12Å
279	S	66.8	Low	63.9	Low	82 Å²	82	81 Å²	81	57%	0.573	45%	0.446	S	S	*	.	H	α-helix	trans	-65.5	-41.4	175.4	-52.4	0	0	0	0	110.7	S277 A282 I283	S277-S279 PolarHBondContact O-N 3.12Å; S277-S279 PolarHBondContact OG-N 3.26Å; S279-A282 PolarHBondContact O-N 3.02Å; S279-I283 VanDerWaalsContact O-CG1 3.31Å; S279-I283 WeakPolarHBondContact O-CG1 3.45Å; S279-I283 PolarHBondContact O-N 3.2Å
280	D	62.9	Low	63.4	Low	63 Å²	63	78.9 Å²	78.9	34%	0.337	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-39.8	176	-50.8	-45.2	0	0	0	111.2	F275 S277 R278 A282 I283 H284	F275-D280 HydrophobicContact CB-CB 3.94Å; F275-D280 HydrophobicContact CD1-CB 4.04Å; F275-D280 HydrophobicContact CG-CB 4.33Å; S277-D280 VanDerWaalsContact CB-OD2 3.23Å; S277-D280 WeakPolarHBondContact CB-OD2 3.35Å; S277-D280 PolarHBondContact N-OD2 3.36Å; S277-D280 PolarHBondContact O-N 2.97Å; S277-D280 PolarHBondContact OG-N 2.93Å; S277-D280 VanDerWaalsContact OG-N 3.15Å; S277-D280 PolarHBondContact OG-OD2 3.48Å; R278-D280 VanDerWaalsContact C-N 3.34Å; D280-A282 VanDerWaalsContact C-N 3.34Å; D280-A282 PolarHBondContact O-N 2.78Å; D280-I283 PolarHBondContact O-N 2.77Å; D280-H284 WeakPolarHBondContact O-CB 3.18Å; D280-H284 PolarHBondContact O-N 3.46Å
281	V	66.7	Low	62.8	Low	24 Å²	24	77 Å²	77	15%	0.145	42%	0.418	C	S	.	.	H	α-helix	trans	-60.8	-42.8	170.9	-178.9	0	0	0	0	111.1	F266 C268 F275 S277 R278 H284 Y285	F266-V281 HydrophobicContact CB-CG2 3.5Å; F266-V281 VanDerWaalsContact O-CG2 3.32Å; F266-V281 WeakPolarHBondContact O-CG2 3.37Å; C268-V281 HydrophobicContact CB-CG1 4.3Å; F275-V281 HydrophobicContact CB-CG2 3.77Å; F275-V281 HydrophobicContact CD2-CG2 3.75Å; F275-V281 HydrophobicContact CG-CG2 4Å; S277-V281 PolarHBondContact O-N 3.08Å; S277-V281 VanDerWaalsContact O-N 3.16Å; R278-V281 PolarHBondContact O-N 3.19Å; V281-H284 PolarHBondContact O-N 3.39Å; V281-Y285 WeakPolarHBondContact O-CB 3.41Å; V281-Y285 PolarHBondContact O-N 3.34Å
282	A	67	Low	62.4	Low	59 Å²	59	84.1 Å²	84.1	49%	0.488	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-42	-179.7	0	0	0	0	0	112	R278 S279 D280 K286	R278-A282 WeakPolarHBondContact O-CB 3.43Å; R278-A282 PolarHBondContact O-N 3.12Å; S279-A282 PolarHBondContact O-N 3.02Å; D280-A282 VanDerWaalsContact C-N 3.34Å; D280-A282 PolarHBondContact O-N 2.78Å; A282-K286 VanDerWaalsContact O-CB 3.28Å; A282-K286 WeakPolarHBondContact O-CB 3.25Å; A282-K286 PolarHBondContact O-N 3.31Å
283	I	65.4	Low	62.8	Low	97 Å²	97	83.1 Å²	83.1	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-52.4	173.1	-67.4	165.5	0	0	0	109.5	S279 D280 Y285 K286 H287	S279-I283 VanDerWaalsContact O-CG1 3.31Å; S279-I283 WeakPolarHBondContact O-CG1 3.45Å; S279-I283 PolarHBondContact O-N 3.2Å; D280-I283 PolarHBondContact O-N 2.77Å; I283-Y285 VanDerWaalsContact C-N 3.35Å; I283-Y285 PolarHBondContact O-N 3.23Å; I283-K286 CarbonylContact O-C 3.53Å; I283-K286 PolarHBondContact O-N 3.16Å; I283-K286 VanDerWaalsContact O-N 3.1Å; I283-H287 WeakPolarHBondContact O-CB 3.29Å; I283-H287 PolarHBondContact O-CD2 3.43Å; I283-H287 VanDerWaalsContact O-CD2 3.24Å; I283-H287 PolarHBondContact O-N 3.48Å
284	H	72.4	Confident	63.6	Low	20 Å²	20	79.4 Å²	79.4	9%	0.093	42%	0.422	C	S	.	.	H	α-helix	trans	-55.3	-47.4	176.9	157.9	64.8	0	0	0	112.2	C268 C271 F275 D280 V281 K286 H287 V288 H289	C268-H284 WeakPolarHBondContact CB-NE2 3.48Å; C268-H284 VanDerWaalsContact SG-CD2 3.53Å; C268-H284 PolarHBondContact SG-NE2 2.83Å; C271-H284 PolarHBondContact SG-NE2 2.88Å; F275-H284 HydrophobicContact CD1-CB 4.37Å; F275-H284 HydrophobicContact CE1-CB 3.62Å; F275-H284 AromaticContact CE1-CG 3.78Å; F275-H284 HydrophobicContact CE2-CB 4.11Å; F275-H284 AromaticContact CE2-CD2 3.25Å; F275-H284 WeakPolarHBondContact CE2-CD2 3.29Å; F275-H284 AromaticContact CE2-CG 3.63Å; F275-H284 AromaticContact CE2-NE2 3.75Å; F275-H284 HydrophobicContact CZ-CB 3.49Å; F275-H284 VanDerWaalsContact CZ-CB 3.49Å; F275-H284 AromaticContact CZ-CD2 3.26Å; F275-H284 WeakPolarHBondContact CZ-CD2 3.18Å; F275-H284 AromaticContact CZ-CE1 3.92Å; F275-H284 AromaticContact CZ-CG 3.1Å; F275-H284 AromaticContact CZ-ND1 3.56Å; F275-H284 AromaticContact CZ-NE2 3.75Å; D280-H284 WeakPolarHBondContact O-CB 3.18Å; D280-H284 PolarHBondContact O-N 3.46Å; V281-H284 PolarHBondContact O-N 3.39Å; H284-K286 VanDerWaalsContact C-N 3.32Å; H284-K286 PolarHBondContact O-N 2.89Å; H284-H287 PolarHBondContact O-N 2.92Å; H284-V288 WeakPolarHBondContact ND1-CG2 3.39Å; H284-V288 VanDerWaalsContact O-CB 3.25Å; H284-V288 WeakPolarHBondContact O-CB 3.36Å; H284-V288 WeakPolarHBondContact O-CG2 3.2Å; H284-V288 PolarHBondContact O-N 3.32Å; H284-H289 AromaticContact CE1-NE2 3.56Å; H284-H289 AromaticContact NE2-CD2 3.68Å; H284-H289 AromaticContact NE2-NE2 3.33Å; H284-H289 PolarHBondContact NE2-NE2 2.72Å
285	Y	67.1	Low	64.1	Low	110 Å²	110	82.6 Å²	82.6	43%	0.431	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-45.6	176.5	-172	-83.4	0	0	0	110.6	S270 V281 I283 H287 H289 A290	S270-Y285 WeakPolarHBondContact OG-CE2 3.41Å; V281-Y285 WeakPolarHBondContact O-CB 3.41Å; V281-Y285 PolarHBondContact O-N 3.34Å; I283-Y285 VanDerWaalsContact C-N 3.35Å; I283-Y285 PolarHBondContact O-N 3.23Å; Y285-H287 VanDerWaalsContact C-N 3.31Å; Y285-H287 PolarHBondContact O-N 2.91Å; Y285-H289 HydrophobicContact CD1-CB 4.49Å; Y285-H289 HydrophobicContact CD2-CB 3.95Å; Y285-H289 HydrophobicContact CE2-CB 4.03Å; Y285-H289 HydrophobicContact CG-CB 4.19Å; Y285-H289 CarbonylContact O-C 3.58Å; Y285-H289 WeakPolarHBondContact O-CA 3.3Å; Y285-H289 WeakPolarHBondContact O-CB 3.39Å; Y285-H289 PolarHBondContact O-N 3.09Å; Y285-A290 HydrophobicContact CD1-CB 4Å; Y285-A290 HydrophobicContact CE1-CB 3.83Å; Y285-A290 PolarHBondContact O-N 3.41Å
286	K	66.7	Low	64.9	Low	154 Å²	154	81 Å²	81	67%	0.67	42%	0.423	S	S	*	.	H	α-helix	trans	-65.5	-30.3	178.9	-154.2	176.7	-171.2	-176.4	0	113.7	A282 I283 H284 A290 A291	A282-K286 VanDerWaalsContact O-CB 3.28Å; A282-K286 WeakPolarHBondContact O-CB 3.25Å; A282-K286 PolarHBondContact O-N 3.31Å; I283-K286 CarbonylContact O-C 3.53Å; I283-K286 PolarHBondContact O-N 3.16Å; I283-K286 VanDerWaalsContact O-N 3.1Å; H284-K286 VanDerWaalsContact C-N 3.32Å; H284-K286 PolarHBondContact O-N 2.89Å; K286-A290 CarbonylContact O-C 3.53Å; K286-A291 WeakPolarHBondContact O-CA 3.13Å; K286-A291 WeakPolarHBondContact O-CB 3.46Å; K286-A291 PolarHBondContact O-N 3.05Å; K286-A291 VanDerWaalsContact O-N 3.07Å
287	H	60.8	Low	66	Low	86 Å²	86	81.9 Å²	81.9	40%	0.398	43%	0.43	S	S	.	.	H	α-helix	trans	-93.5	-24.3	-180	-79.4	-90.6	0	0	0	114.7	I283 H284 Y285 A291 T304	I283-H287 WeakPolarHBondContact O-CB 3.29Å; I283-H287 PolarHBondContact O-CD2 3.43Å; I283-H287 VanDerWaalsContact O-CD2 3.24Å; I283-H287 PolarHBondContact O-N 3.48Å; H284-H287 PolarHBondContact O-N 2.92Å; Y285-H287 VanDerWaalsContact C-N 3.31Å; Y285-H287 PolarHBondContact O-N 2.91Å; H287-A291 VanDerWaalsContact O-CB 3.31Å; H287-A291 WeakPolarHBondContact O-CB 3.48Å; H287-T304 WeakPolarHBondContact O-CG2 3.28Å
288	V	64	Low	66.6	Low	88 Å²	88	84.2 Å²	84.2	53%	0.533	44%	0.439	S	S	.	.	H	α-helix	trans	-115	-29.3	-172.9	-177.4	0	0	0	0	113	H284	H284-V288 WeakPolarHBondContact ND1-CG2 3.39Å; H284-V288 VanDerWaalsContact O-CB 3.25Å; H284-V288 WeakPolarHBondContact O-CB 3.36Å; H284-V288 WeakPolarHBondContact O-CG2 3.2Å; H284-V288 PolarHBondContact O-N 3.32Å
289	H	65.4	Low	67.4	Low	68 Å²	68	77.4 Å²	77.4	32%	0.315	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-27	-175.2	-61.1	-55	0	0	0	114.2	C268 C271 H284 Y285	C268-H289 PolarHBondContact SG-CD2 3.04Å; C271-H289 PolarHBondContact SG-NE2 2.85Å; H284-H289 AromaticContact CE1-NE2 3.56Å; H284-H289 AromaticContact NE2-CD2 3.68Å; H284-H289 AromaticContact NE2-NE2 3.33Å; H284-H289 PolarHBondContact NE2-NE2 2.72Å; Y285-H289 HydrophobicContact CD1-CB 4.49Å; Y285-H289 HydrophobicContact CD2-CB 3.95Å; Y285-H289 HydrophobicContact CE2-CB 4.03Å; Y285-H289 HydrophobicContact CG-CB 4.19Å; Y285-H289 CarbonylContact O-C 3.58Å; Y285-H289 WeakPolarHBondContact O-CA 3.3Å; Y285-H289 WeakPolarHBondContact O-CB 3.39Å; Y285-H289 PolarHBondContact O-N 3.09Å
290	A	54.5	Low	67.8	Low	61 Å²	61	79.9 Å²	79.9	50%	0.504	43%	0.425	S	S	.	.	S	Bend	trans	-118.9	9.8	178.3	0	0	0	0	0	113.6	Y285 K286 K292	Y285-A290 HydrophobicContact CD1-CB 4Å; Y285-A290 HydrophobicContact CE1-CB 3.83Å; Y285-A290 PolarHBondContact O-N 3.41Å; K286-A290 CarbonylContact O-C 3.53Å; A290-K292 PolarHBondContact O-N 3.05Å
291	A	49.8	Very low	68.3	Low	30 Å²	30	84.3 Å²	84.3	25%	0.248	44%	0.437	C	S	.	.			trans	-75.9	122.7	172.3	0	0	0	0	0	109.6	K286 H287 L293	K286-A291 WeakPolarHBondContact O-CA 3.13Å; K286-A291 WeakPolarHBondContact O-CB 3.46Å; K286-A291 PolarHBondContact O-N 3.05Å; K286-A291 VanDerWaalsContact O-N 3.07Å; H287-A291 VanDerWaalsContact O-CB 3.31Å; H287-A291 WeakPolarHBondContact O-CB 3.48Å; A291-L293 HydrophobicContact CB-CD2 4.46Å; A291-L293 PolarHBondContact O-N 3.43Å
292	K	56.8	Low	68.3	Low	207 Å²	207	86.4 Å²	86.4	90%	0.9	45%	0.451	S	S	*	.			trans	-67.3	90.3	161	-161.5	176.5	-171.5	-179	0	106.8	A290 I294	A290-K292 PolarHBondContact O-N 3.05Å; K292-I294 PolarHBondContact O-N 2.96Å
293	L	64	Low	68.4	Low	87 Å²	87	85.1 Å²	85.1	46%	0.455	43%	0.434	S	S	.	.			trans	-56.7	126.9	-174.3	-72.3	172.8	0	0	0	110.2	A291 K295 T302 T304	A291-L293 HydrophobicContact CB-CD2 4.46Å; A291-L293 PolarHBondContact O-N 3.43Å; L293-K295 PolarHBondContact O-N 2.92Å; L293-T302 HydrophobicContact CB-CG2 3.95Å; L293-T302 HydrophobicContact CD1-CG2 4.2Å; L293-T304 HydrophobicContact CD2-CG2 4.04Å
294	I	71.8	Confident	68.3	Low	61 Å²	61	83.8 Å²	83.8	31%	0.313	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.7	177.7	-40.6	178.7	0	0	0	106.7	K292 F303 K306 L309	K292-I294 PolarHBondContact O-N 2.96Å; I294-F303 PolarHBondContact N-O 2.87Å; I294-F303 PolarHBondContact O-N 3.5Å; I294-K306 HydrophobicContact CD1-CB 4.22Å; I294-L309 HydrophobicContact CB-CD2 4.14Å; I294-L309 HydrophobicContact CG2-CD2 3.43Å; I294-L309 VanDerWaalsContact CG2-CD2 3.43Å
295	K	71.4	Confident	67.9	Low	125 Å²	125	84.8 Å²	84.8	54%	0.543	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144	171.7	-79.3	-168.7	168.4	-153.1	0	110	L293 D300 T302	L293-K295 PolarHBondContact O-N 2.92Å; K295-D300 IonicContact NZ-OD1 3.52Å; K295-D300 PolarHBondContact NZ-OD1 2.81Å; K295-T302 HydrophobicContact CG-CG2 3.57Å
296	C	79.3	Confident	68.1	Low	8 Å²	8	83.8 Å²	83.8	5%	0.054	44%	0.437	C	S	.	.			trans	-69.4	143.8	156.7	-168.7	0	0	0	0	108.7	E298 C299 R301 F303 L309	C296-E298 VanDerWaalsContact C-N 3.31Å; C296-E298 PolarHBondContact SG-N 2.83Å; C296-E298 VanDerWaalsContact SG-N 3.43Å; C296-C299 CarbonylContact C-O 3.34Å; C296-C299 WeakPolarHBondContact CB-O 3.43Å; C296-R301 PolarHBondContact N-O 2.91Å; C296-F303 HydrophobicContact CB-CE2 4.3Å; C296-L309 HydrophobicContact CB-CD1 3.72Å
297	A	80.5	Confident	68.4	Low	82 Å²	82	81.8 Å²	81.8	68%	0.678	43%	0.433	S	S	*	.	S	Bend	trans	-84.5	-10.2	172.3	0	0	0	0	0	112.4	Y325	A297-Y325 VanDerWaalsContact CB-OH 3.29Å; A297-Y325 WeakPolarHBondContact CB-OH 3.4Å; A297-Y325 PolarHBondContact N-OH 3.49Å
298	E	79.1	Confident	69	Low	73 Å²	73	80.5 Å²	80.5	34%	0.341	43%	0.432	S	S	.	.	S	Bend	trans	-104.1	-9.6	-177.2	-56.6	-64	167.5	0	0	113	C296 H317 K320	C296-E298 VanDerWaalsContact C-N 3.31Å; C296-E298 PolarHBondContact SG-N 2.83Å; C296-E298 VanDerWaalsContact SG-N 3.43Å; E298-H317 PolarHBondContact O-CE1 3.45Å; E298-K320 VanDerWaalsContact CD-CE 3.44Å; E298-K320 HydrophobicContact CG-CG 4.22Å; E298-K320 VanDerWaalsContact OE1-CD 3.3Å; E298-K320 WeakPolarHBondContact OE1-CD 3.44Å; E298-K320 WeakPolarHBondContact OE1-CE 3.34Å; E298-K320 IonicContact OE1-NZ 2.81Å; E298-K320 PolarHBondContact OE1-NZ 2.87Å; E298-K320 WeakPolarHBondContact OE2-CE 3.47Å; E298-K320 IonicContact OE2-NZ 2.66Å; E298-K320 PolarHBondContact OE2-NZ 3.14Å
299	C	82.3	Confident	69.7	Low	41 Å²	41	76.4 Å²	76.4	28%	0.277	41%	0.407	S	S	.	.	S	Bend	trans	-163.7	163.9	168.4	69.2	0	0	0	0	111.1	C296 R301 H312	C296-C299 CarbonylContact C-O 3.34Å; C296-C299 WeakPolarHBondContact CB-O 3.43Å; C299-R301 PolarHBondContact O-N 2.83Å; C299-H312 PolarHBondContact SG-NE2 3.3Å
300	D	76	Confident	70.2	Confident	133 Å²	133	75.2 Å²	75.2	71%	0.711	40%	0.402	S	S	*	.	S	Bend	trans	-69.8	9.7	-178.5	-79.4	-65.4	0	0	0	116.4	K295	K295-D300 IonicContact NZ-OD1 3.52Å; K295-D300 PolarHBondContact NZ-OD1 2.81Å
301	R	73.8	Confident	71.3	Confident	156 Å²	156	76.3 Å²	76.3	59%	0.589	40%	0.399	S	S	*	.			trans	-70	135.1	178	-70.8	-172.5	170	-167.1	-1.3	111.6	C296 C299 F303	C296-R301 PolarHBondContact N-O 2.91Å; C299-R301 PolarHBondContact O-N 2.83Å; R301-F303 HydrophobicContact CB-CE2 3.55Å; R301-F303 HydrophobicContact CB-CZ 3.72Å; R301-F303 WeakPolarHBondContact O-CE2 3.44Å
302	T	65.6	Low	72.9	Confident	69 Å²	69	75.7 Å²	75.7	42%	0.423	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.6	179.6	39.1	0	0	0	0	111.4	L293 K295	L293-T302 HydrophobicContact CB-CG2 3.95Å; L293-T302 HydrophobicContact CD1-CG2 4.2Å; K295-T302 HydrophobicContact CG-CG2 3.57Å
303	F	70.4	Confident	74	Confident	32 Å²	32	66 Å²	66	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.1	-174.2	-62.7	-88.3	0	0	0	111.6	I294 C296 R301 S305 L309 H312	I294-F303 PolarHBondContact N-O 2.87Å; I294-F303 PolarHBondContact O-N 3.5Å; C296-F303 HydrophobicContact CB-CE2 4.3Å; R301-F303 HydrophobicContact CB-CE2 3.55Å; R301-F303 HydrophobicContact CB-CZ 3.72Å; R301-F303 WeakPolarHBondContact O-CE2 3.44Å; F303-S305 VanDerWaalsContact C-N 3.33Å; F303-L309 HydrophobicContact CB-CB 3.93Å; F303-L309 HydrophobicContact CD2-CB 4Å; F303-L309 HydrophobicContact CD2-CD1 3.56Å; F303-L309 HydrophobicContact CD2-CG 4.32Å; F303-L309 HydrophobicContact CE2-CD1 3.82Å; F303-L309 HydrophobicContact CG-CB 3.9Å; F303-L309 HydrophobicContact CG-CD1 4.33Å; F303-H312 HydrophobicContact CE1-CB 3.59Å; F303-H312 AromaticContact CE1-CG 3.94Å; F303-H312 HydrophobicContact CE2-CB 4.24Å; F303-H312 AromaticContact CE2-CD2 3.28Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.4Å; F303-H312 AromaticContact CE2-CG 3.92Å; F303-H312 AromaticContact CE2-NE2 3.97Å; F303-H312 HydrophobicContact CZ-CB 3.43Å; F303-H312 VanDerWaalsContact CZ-CB 3.43Å; F303-H312 AromaticContact CZ-CD2 3.11Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.44Å; F303-H312 AromaticContact CZ-CG 3.25Å; F303-H312 AromaticContact CZ-NE2 3.84Å
304	T	61.8	Low	74.8	Confident	69 Å²	69	69.5 Å²	69.5	42%	0.423	36%	0.356	S	S	.	.	S	Bend	trans	-87.7	-0.5	-179.5	59.6	0	0	0	0	113.4	H287 L293	H287-T304 WeakPolarHBondContact O-CG2 3.28Å; L293-T304 HydrophobicContact CD2-CG2 4.04Å
305	S	65.9	Low	75.2	Confident	40 Å²	40	71.9 Å²	71.9	28%	0.28	37%	0.373	S	S	.	.	S	Bend	trans	-155.5	155.1	174.9	85.6	0	0	0	0	111.8	F303 L307 T308 L309	F303-S305 VanDerWaalsContact C-N 3.33Å; S305-L307 VanDerWaalsContact C-N 3.34Å; S305-L307 PolarHBondContact O-N 3.42Å; S305-T308 PolarHBondContact N-OG1 3.21Å; S305-T308 PolarHBondContact O-N 2.97Å; S305-T308 PolarHBondContact O-OG1 3.16Å; S305-T308 PolarHBondContact OG-N 3.39Å; S305-T308 VanDerWaalsContact OG-N 3.15Å; S305-T308 PolarHBondContact OG-OG1 3.21Å; S305-L309 PolarHBondContact O-N 2.97Å
306	K	70.8	Confident	75.6	Confident	89 Å²	89	68.6 Å²	68.6	39%	0.387	37%	0.366	S	S	.	.	H	α-helix	trans	-62.9	-39.1	177.5	-163.6	174.5	-171.5	174.1	0	112.4	I294 L309 Q310 Y325 F326	I294-K306 HydrophobicContact CD1-CB 4.22Å; K306-L309 PolarHBondContact O-N 3.25Å; K306-Q310 WeakPolarHBondContact O-CG 3.37Å; K306-Q310 PolarHBondContact O-N 2.83Å; K306-Y325 WeakPolarHBondContact CE-O 3.38Å; K306-Y325 PolarHBondContact NZ-O 3.35Å; K306-F326 PolarHBondContact NZ-OXT 2.88Å
307	L	72.3	Confident	75.8	Confident	112 Å²	112	69.9 Å²	69.9	59%	0.586	37%	0.371	S	S	*	.	H	α-helix	trans	-66.3	-39.3	179.6	-175.6	65.7	0	0	0	112.5	S305 Q310 N311	S305-L307 VanDerWaalsContact C-N 3.34Å; S305-L307 PolarHBondContact O-N 3.42Å; L307-Q310 PolarHBondContact O-N 2.82Å; L307-N311 PolarHBondContact O-N 3Å
308	T	73	Confident	75.3	Confident	60 Å²	60	71.2 Å²	71.2	37%	0.368	37%	0.373	S	S	.	.	H	α-helix	trans	-71	-33.3	176.9	45	0	0	0	0	112.6	S305 H312	S305-T308 PolarHBondContact N-OG1 3.21Å; S305-T308 PolarHBondContact O-N 2.97Å; S305-T308 PolarHBondContact O-OG1 3.16Å; S305-T308 PolarHBondContact OG-N 3.39Å; S305-T308 VanDerWaalsContact OG-N 3.15Å; S305-T308 PolarHBondContact OG-OG1 3.21Å; T308-H312 PolarHBondContact O-N 2.85Å; T308-H312 VanDerWaalsContact O-N 3.13Å
309	L	78.7	Confident	74.7	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-64.6	-47.3	170.2	173.3	59.1	0	0	0	111.7	I294 C296 F303 S305 K306 N311 H312 V313 Y325	I294-L309 HydrophobicContact CB-CD2 4.14Å; I294-L309 HydrophobicContact CG2-CD2 3.43Å; I294-L309 VanDerWaalsContact CG2-CD2 3.43Å; C296-L309 HydrophobicContact CB-CD1 3.72Å; F303-L309 HydrophobicContact CB-CB 3.93Å; F303-L309 HydrophobicContact CD2-CB 4Å; F303-L309 HydrophobicContact CD2-CD1 3.56Å; F303-L309 HydrophobicContact CD2-CG 4.32Å; F303-L309 HydrophobicContact CE2-CD1 3.82Å; F303-L309 HydrophobicContact CG-CB 3.9Å; F303-L309 HydrophobicContact CG-CD1 4.33Å; S305-L309 PolarHBondContact O-N 2.97Å; K306-L309 PolarHBondContact O-N 3.25Å; L309-N311 PolarHBondContact O-N 3.26Å; L309-H312 WeakPolarHBondContact O-CB 3.37Å; L309-H312 PolarHBondContact O-N 2.76Å; L309-H312 VanDerWaalsContact O-N 3.1Å; L309-V313 HydrophobicContact CD1-CG2 3.98Å; L309-V313 HydrophobicContact CG-CG2 4.48Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 2.9Å; L309-Y325 HydrophobicContact CD2-CD1 3.63Å; L309-Y325 HydrophobicContact CD2-CE1 3.76Å; L309-Y325 HydrophobicContact CD2-CG 4.46Å; L309-Y325 HydrophobicContact CG-CD1 4.49Å; L309-Y325 HydrophobicContact CG-CE1 4.49Å
310	Q	77	Confident	73.7	Confident	43 Å²	43	74.1 Å²	74.1	20%	0.201	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-48	177.1	-76.4	174.5	-27.2	0	0	111.7	K306 L307 H312 V313 R314 W322	K306-Q310 WeakPolarHBondContact O-CG 3.37Å; K306-Q310 PolarHBondContact O-N 2.83Å; L307-Q310 PolarHBondContact O-N 2.82Å; Q310-H312 VanDerWaalsContact C-N 3.28Å; Q310-H312 PolarHBondContact O-N 2.85Å; Q310-V313 PolarHBondContact O-N 3.4Å; Q310-R314 PolarHBondContact O-N 3.1Å; Q310-W322 HydrophobicContact CB-CE3 4.3Å; Q310-W322 HydrophobicContact CB-CZ3 4.1Å; Q310-W322 HydrophobicContact CG-CE3 4.49Å; Q310-W322 WeakPolarHBondContact O-CZ3 3.35Å
311	N	77.5	Confident	72.7	Confident	84 Å²	84	75.7 Å²	75.7	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-33.3	176.6	-79.9	-17.7	0	0	0	113.3	L307 L309 R314 V315	L307-N311 PolarHBondContact O-N 3Å; L309-N311 PolarHBondContact O-N 3.26Å; N311-R314 WeakPolarHBondContact O-CB 3.45Å; N311-V315 WeakPolarHBondContact O-CG2 3.48Å; N311-V315 PolarHBondContact O-N 2.98Å
312	H	83.1	Confident	71.9	Confident	17 Å²	17	72.6 Å²	72.6	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-69.1	-47.4	173.3	161.8	57.1	0	0	0	112.3	C299 F303 T308 L309 Q310 R314 V315 S316 H317	C299-H312 PolarHBondContact SG-NE2 3.3Å; F303-H312 HydrophobicContact CE1-CB 3.59Å; F303-H312 AromaticContact CE1-CG 3.94Å; F303-H312 HydrophobicContact CE2-CB 4.24Å; F303-H312 AromaticContact CE2-CD2 3.28Å; F303-H312 WeakPolarHBondContact CE2-CD2 3.4Å; F303-H312 AromaticContact CE2-CG 3.92Å; F303-H312 AromaticContact CE2-NE2 3.97Å; F303-H312 HydrophobicContact CZ-CB 3.43Å; F303-H312 VanDerWaalsContact CZ-CB 3.43Å; F303-H312 AromaticContact CZ-CD2 3.11Å; F303-H312 WeakPolarHBondContact CZ-CD2 3.44Å; F303-H312 AromaticContact CZ-CG 3.25Å; F303-H312 AromaticContact CZ-NE2 3.84Å; T308-H312 PolarHBondContact O-N 2.85Å; T308-H312 VanDerWaalsContact O-N 3.13Å; L309-H312 WeakPolarHBondContact O-CB 3.37Å; L309-H312 PolarHBondContact O-N 2.76Å; L309-H312 VanDerWaalsContact O-N 3.1Å; Q310-H312 VanDerWaalsContact C-N 3.28Å; Q310-H312 PolarHBondContact O-N 2.85Å; H312-R314 PolarHBondContact O-N 3.04Å; H312-V315 PolarHBondContact O-N 3.16Å; H312-V315 VanDerWaalsContact O-N 3.15Å; H312-S316 WeakPolarHBondContact CE1-CB 3.16Å; H312-S316 PolarHBondContact CE1-OG 2.9Å; H312-S316 WeakPolarHBondContact ND1-CB 3.29Å; H312-S316 PolarHBondContact ND1-OG 3.4Å; H312-S316 WeakPolarHBondContact O-CB 3.46Å; H312-S316 PolarHBondContact O-N 2.91Å; H312-S316 PolarHBondContact O-OG 3.23Å; H312-H317 AromaticContact CE1-NE2 3.66Å; H312-H317 AromaticContact NE2-CD2 3.86Å; H312-H317 AromaticContact NE2-NE2 3.51Å
313	V	80.1	Confident	71.4	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.018	40%	0.404	C	S	.	.	H	α-helix	trans	-57.2	-39.6	176.5	174.9	0	0	0	0	110.4	L309 Q310 V315 H317 W322 Y325	L309-V313 HydrophobicContact CD1-CG2 3.98Å; L309-V313 HydrophobicContact CG-CG2 4.48Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 2.9Å; Q310-V313 PolarHBondContact O-N 3.4Å; V313-V315 PolarHBondContact O-N 3.05Å; V313-H317 HydrophobicContact CG1-CB 4.39Å; V313-H317 CarbonylContact O-C 3.55Å; V313-H317 WeakPolarHBondContact O-CA 3.45Å; V313-H317 PolarHBondContact O-N 3.08Å; V313-W322 HydrophobicContact CB-CE3 4.47Å; V313-W322 HydrophobicContact CG1-CD2 4.13Å; V313-W322 HydrophobicContact CG1-CE3 4.37Å; V313-W322 HydrophobicContact CG1-CG 4.46Å; V313-Y325 HydrophobicContact CG2-CE2 4.35Å
314	R	80.4	Confident	70.5	Confident	161 Å²	161	82.4 Å²	82.4	61%	0.608	43%	0.434	S	S	*	.	H	α-helix	trans	-53.1	-48.1	174.8	-163.1	163.9	87.6	157.9	2	114.2	Q310 N311 H312 W322	Q310-R314 PolarHBondContact O-N 3.1Å; N311-R314 WeakPolarHBondContact O-CB 3.45Å; H312-R314 PolarHBondContact O-N 3.04Å; R314-W322 HydrophobicContact CB-CH2 3.18Å; R314-W322 HydrophobicContact CB-CZ2 3.67Å; R314-W322 HydrophobicContact CB-CZ3 3.94Å; R314-W322 HydrophobicContact CG-CH2 3.38Å; R314-W322 HydrophobicContact CG-CZ2 3.63Å
315	V	79.3	Confident	70	Confident	110 Å²	110	81.1 Å²	81.1	67%	0.667	42%	0.422	S	S	*	.	H	α-helix	trans	-95	-33	-166.1	178.8	0	0	0	0	111.3	N311 H312 V313	N311-V315 WeakPolarHBondContact O-CG2 3.48Å; N311-V315 PolarHBondContact O-N 2.98Å; H312-V315 PolarHBondContact O-N 3.16Å; H312-V315 VanDerWaalsContact O-N 3.15Å; V313-V315 PolarHBondContact O-N 3.05Å
316	S	81.1	Confident	69.1	Low	57 Å²	57	88.1 Å²	88.1	40%	0.399	45%	0.448	S	S	.	.	H	α-helix	trans	-101.4	-17.6	-174.5	-54	0	0	0	0	114.2	H312 P318	H312-S316 WeakPolarHBondContact CE1-CB 3.16Å; H312-S316 PolarHBondContact CE1-OG 2.9Å; H312-S316 WeakPolarHBondContact ND1-CB 3.29Å; H312-S316 PolarHBondContact ND1-OG 3.4Å; H312-S316 WeakPolarHBondContact O-CB 3.46Å; H312-S316 PolarHBondContact O-N 2.91Å; H312-S316 PolarHBondContact O-OG 3.23Å; S316-P318 VanDerWaalsContact C-CD 3.43Å
317	H	82.8	Confident	69	Low	35 Å²	35	88.1 Å²	88.1	16%	0.162	45%	0.451	C	S	.	.	S	Bend	trans	-131.9	54	-179.2	-57.1	-68.5	0	0	0	112.4	E298 H312 V313 G319 K320	E298-H317 PolarHBondContact O-CE1 3.45Å; H312-H317 AromaticContact CE1-NE2 3.66Å; H312-H317 AromaticContact NE2-CD2 3.86Å; H312-H317 AromaticContact NE2-NE2 3.51Å; V313-H317 HydrophobicContact CG1-CB 4.39Å; V313-H317 CarbonylContact O-C 3.55Å; V313-H317 WeakPolarHBondContact O-CA 3.45Å; V313-H317 PolarHBondContact O-N 3.08Å; H317-G319 PolarHBondContact O-N 3.48Å; H317-K320 HydrophobicContact CB-CB 4.39Å; H317-K320 HydrophobicContact CB-CG 4.31Å; H317-K320 PolarHBondContact O-N 3.47Å
318	P	69.6	Low	68.9	Low	110 Å²	110	86.8 Å²	86.8	71%	0.714	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	129.4	177.9	26.8	-34.6	0	0	0	110.8	S316	S316-P318 VanDerWaalsContact C-CD 3.43Å
319	G	66.9	Low	68.6	Low	76 Å²	76	88.3 Å²	88.3	78%	0.784	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.5	-13.4	-178.1	0	0	0	0	0	115.7	H317	H317-G319 PolarHBondContact O-N 3.48Å
320	K	61.8	Low	68	Low	99 Å²	99	93.4 Å²	93.4	43%	0.43	47%	0.473	S	S	.	.			trans	-81.2	135.2	172.3	-72.3	-72.2	-169.1	136.9	0	111.1	E298 H317 W322	E298-K320 VanDerWaalsContact CD-CE 3.44Å; E298-K320 HydrophobicContact CG-CG 4.22Å; E298-K320 VanDerWaalsContact OE1-CD 3.3Å; E298-K320 WeakPolarHBondContact OE1-CD 3.44Å; E298-K320 WeakPolarHBondContact OE1-CE 3.34Å; E298-K320 IonicContact OE1-NZ 2.81Å; E298-K320 PolarHBondContact OE1-NZ 2.87Å; E298-K320 WeakPolarHBondContact OE2-CE 3.47Å; E298-K320 IonicContact OE2-NZ 2.66Å; E298-K320 PolarHBondContact OE2-NZ 3.14Å; H317-K320 HydrophobicContact CB-CB 4.39Å; H317-K320 HydrophobicContact CB-CG 4.31Å; H317-K320 PolarHBondContact O-N 3.47Å; K320-W322 PolarHBondContact O-NE1 3.22Å
321	F	54.1	Low	67.5	Low	166 Å²	166	96.5 Å²	96.5	73%	0.728	49%	0.49	S	S	*	.			trans	-77	135.8	179.4	-78.4	-90	0	0	0	112.2
322	W	57.6	Low	66.8	Low	91 Å²	91	97.3 Å²	97.3	35%	0.345	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-95.4	-6.5	-164.3	-52.9	53.3	0	0	0	113.2	Q310 V313 R314 K320 N324 Y325	Q310-W322 HydrophobicContact CB-CE3 4.3Å; Q310-W322 HydrophobicContact CB-CZ3 4.1Å; Q310-W322 HydrophobicContact CG-CE3 4.49Å; Q310-W322 WeakPolarHBondContact O-CZ3 3.35Å; V313-W322 HydrophobicContact CB-CE3 4.47Å; V313-W322 HydrophobicContact CG1-CD2 4.13Å; V313-W322 HydrophobicContact CG1-CE3 4.37Å; V313-W322 HydrophobicContact CG1-CG 4.46Å; R314-W322 HydrophobicContact CB-CH2 3.18Å; R314-W322 HydrophobicContact CB-CZ2 3.67Å; R314-W322 HydrophobicContact CB-CZ3 3.94Å; R314-W322 HydrophobicContact CG-CH2 3.38Å; R314-W322 HydrophobicContact CG-CZ2 3.63Å; K320-W322 PolarHBondContact O-NE1 3.22Å; W322-N324 PolarHBondContact O-N 3.23Å; W322-Y325 PolarHBondContact O-N 3.34Å
323	F	54.3	Low	65.6	Low	163 Å²	163	103.1 Å²	103.1	72%	0.715	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-59.3	-27.8	-179.3	-86.7	-83.7	0	0	0	113.1	Y325 F326	F323-Y325 PolarHBondContact O-N 3.32Å; F323-F326 PolarHBondContact O-N 3.24Å
324	N	52	Low	64.5	Low	144 Å²	144	110.8 Å²	110.8	77%	0.77	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-65.3	-0.6	176.8	-66.4	-8.2	0	0	0	114.5	W322	W322-N324 PolarHBondContact O-N 3.23Å
325	Y	52.5	Low	63.2	Low	41 Å²	41	106.6 Å²	106.6	16%	0.161	56%	0.558	C	S	.	*	G	3₁₀ helix	trans	-122.9	21	177.9	-57	-86.9	0	0	0	113.4	A297 K306 L309 V313 W322 F323	A297-Y325 VanDerWaalsContact CB-OH 3.29Å; A297-Y325 WeakPolarHBondContact CB-OH 3.4Å; A297-Y325 PolarHBondContact N-OH 3.49Å; K306-Y325 WeakPolarHBondContact CE-O 3.38Å; K306-Y325 PolarHBondContact NZ-O 3.35Å; L309-Y325 HydrophobicContact CD2-CD1 3.63Å; L309-Y325 HydrophobicContact CD2-CE1 3.76Å; L309-Y325 HydrophobicContact CD2-CG 4.46Å; L309-Y325 HydrophobicContact CG-CD1 4.49Å; L309-Y325 HydrophobicContact CG-CE1 4.49Å; V313-Y325 HydrophobicContact CG2-CE2 4.35Å; W322-Y325 PolarHBondContact O-N 3.34Å; F323-Y325 PolarHBondContact O-N 3.32Å
326	F	46.4	Very low	61.7	Low	187 Å²	187	106.3 Å²	106.3	82%	0.82	55%	0.548	S	S	*	.			trans	-89.9	0	174.2	-89.7	-89.2	0	0	0	113.4	K306 F323	K306-F326 PolarHBondContact NZ-OXT 2.88Å; F323-F326 PolarHBondContact O-N 3.24Å

Retrieved 326 of 326 residues in 166.1 ms (Link to these results)

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