A0A087X5W3_POEFO Loading...

C-type lectin domain family 3 member B

AlphaFold DB , UniProt , Accession A0A087X5W3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	33.2	Very low	231 Å²	231	124.2 Å²	124.2	100%	1.138	75%	0.753	S	S	*	*				0	87.8	0	-123.2	111.1	84.6	0	0	106.4
2	S	31.7	Very low	33.1	Very low	94 Å²	94	133.3 Å²	133.3	66%	0.657	76%	0.764	S	S	*	*				72.5	102.2	84	-50.2	0	0	0	0	109
3	T	35.9	Very low	33.1	Very low	130 Å²	130	135.4 Å²	135.4	80%	0.798	77%	0.766	S	S	*	*				100.5	139.1	98.4	47.7	0	0	0	0	107.8
4	S	34.5	Very low	33.4	Very low	84 Å²	84	135.1 Å²	135.1	59%	0.587	76%	0.756	S	S	*	*			cis	177.7	141.2	5.2	40.1	0	0	0	0	103.7
5	E	33.8	Very low	33.6	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	76%	0.764	S	S	*	*				47.5	135.6	113.3	-51.9	176.4	116	0	0	114.8
6	S	35.1	Very low	34	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	77%	0.769	S	S	*	*				173.5	139.6	64.1	60.9	0	0	0	0	107
7	H	30.2	Very low	35	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.787	77%	0.766	S	S	*	*				72.4	142.6	109.6	-87.3	-88.4	0	0	0	114.7
8	S	31.5	Very low	35.7	Very low	76 Å²	76	138.8 Å²	138.8	53%	0.531	76%	0.761	S	S	.	*			cis	-174	152.1	18.9	-154.7	0	0	0	0	109.2
9	T	31.3	Very low	36.5	Very low	127 Å²	127	137.9 Å²	137.9	78%	0.779	77%	0.766	S	S	*	*			trans	56.3	123.7	136.2	52.5	0	0	0	0	119.4
10	G	27.3	Very low	37.1	Very low	70 Å²	70	136.7 Å²	136.7	72%	0.722	76%	0.762	S	S	*	*				93.4	114	64.4	0	0	0	0	0	107.9
11	S	32.8	Very low	37.8	Very low	116 Å²	116	137.6 Å²	137.6	81%	0.811	76%	0.764	S	S	*	*				-169	136.9	73.9	-81.2	0	0	0	0	107.5
12	R	32.8	Very low	38.1	Very low	233 Å²	233	133.8 Å²	133.8	88%	0.879	75%	0.748	S	S	*	*				69.8	133.9	74.4	-156.4	178.5	-165.3	178.1	5.1	113.5
13	M	32.9	Very low	38.8	Very low	161 Å²	161	131.6 Å²	131.6	79%	0.793	74%	0.741	S	S	*	*			trans	96.9	128.4	175	-63.1	-178.2	117.6	0	0	113.2
14	E	36.9	Very low	39.7	Very low	132 Å²	132	130.1 Å²	130.1	62%	0.617	73%	0.731	S	S	*	*			cis	-168.5	131.1	2.8	-91.6	-87.3	146.3	0	0	103.7
15	F	35.9	Very low	40.4	Very low	202 Å²	202	133.4 Å²	133.4	89%	0.886	74%	0.741	S	S	*	*			trans	-164.6	63.8	148.5	-117.8	-80.2	0	0	0	108.9
16	R	41	Very low	41.2	Very low	223 Å²	223	132.7 Å²	132.7	84%	0.842	74%	0.742	S	S	*	*			trans	-72.3	131.7	159.7	-65.5	172.7	74.5	179.9	2.7	106.5
17	G	50	Low	41.6	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	75%	0.748	S	S	*	*	S	Bend	trans	125.9	27.4	153.6	0	0	0	0	0	119.3
18	V	48.3	Very low	42.5	Very low	112 Å²	112	133.9 Å²	133.9	68%	0.679	75%	0.745	S	S	*	*	S	Bend	trans	-128.5	-10.3	166.7	-168.8	0	0	0	0	114
19	S	51	Low	43.1	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	76%	0.762	S	S	*	*	S	Bend	trans	-94.6	10.5	-173.3	-149.8	0	0	0	0	116.4
20	V	49.2	Very low	43.2	Very low	114 Å²	114	139.2 Å²	139.2	69%	0.691	76%	0.764	S	S	*	*	S	Bend	trans	-124.7	-6.1	-173.8	-172.3	0	0	0	0	114.3
21	L	50	Low	43.3	Very low	155 Å²	155	141.1 Å²	141.1	81%	0.812	77%	0.766	S	S	*	*	S	Bend	trans	-101.7	-5.6	180	-77.8	165.9	0	0	0	115.5
22	L	48.1	Very low	43.4	Very low	151 Å²	151	143.5 Å²	143.5	79%	0.791	77%	0.769	S	S	*	*	S	Bend	trans	-101.2	-6.5	173.9	-89.4	148.1	0	0	0	113.9
23	G	47.3	Very low	43.5	Very low	49 Å²	49	139.9 Å²	139.9	51%	0.505	76%	0.762	S	S	.	*	S	Bend	trans	-97.9	-7.3	-178.8	0	0	0	0	0	115.9
24	V	53.9	Low	43.6	Very low	98 Å²	98	140.3 Å²	140.3	59%	0.594	76%	0.762	S	S	*	*	S	Bend	trans	-100.8	-6.4	-175.1	-177	0	0	0	0	112.8
25	L	49.5	Very low	43.1	Very low	154 Å²	154	141.1 Å²	141.1	81%	0.806	78%	0.776	S	S	*	*	S	Bend	trans	-96.1	0.9	179	-95.5	153.5	0	0	0	115
26	L	50	Low	43.2	Very low	156 Å²	156	136 Å²	136	82%	0.817	77%	0.771	S	S	*	*	S	Bend	trans	-118.5	10.4	-179.2	-76.2	167.6	0	0	0	114.6
27	L	44.2	Very low	42.6	Very low	153 Å²	153	132.2 Å²	132.2	80%	0.801	77%	0.773	S	S	*	*	S	Bend	trans	-122	25.7	-179.8	-67.8	174.7	0	0	0	114.2
28	I	48.4	Very low	41.8	Very low	139 Å²	139	140.2 Å²	140.2	71%	0.713	78%	0.781	S	S	*	*	S	Bend	trans	-114.8	5.1	178	-60.1	179.4	0	0	0	113.4
29	H	44	Very low	40.9	Very low	192 Å²	192	144.9 Å²	144.9	89%	0.889	79%	0.793	S	S	*	*	S	Bend	trans	-127.2	61.6	175.1	-91.6	-68.6	0	0	0	113.4
30	C	33.1	Very low	39.6	Very low	122 Å²	122	148.8 Å²	148.8	82%	0.824	79%	0.794	S	S	*	*			trans	-164	102.1	149.1	-144.3	0	0	0	0	110.7
31	S	30.4	Very low	39.5	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	80%	0.795	S	S	*	*			trans	152	100.3	148.1	-69.2	0	0	0	0	110
32	L	35.2	Very low	38.5	Very low	166 Å²	166	146.8 Å²	146.8	87%	0.869	79%	0.791	S	S	*	*				171.8	142.2	102.9	-134	70.8	0	0	0	111
33	Q	33.3	Very low	37.6	Very low	157 Å²	157	148.4 Å²	148.4	73%	0.734	79%	0.791	S	S	*	*			trans	-70.2	150.2	-173.6	-75.2	155.7	-54.3	0	0	114.4
34	Q	35.9	Very low	37.3	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	81%	0.805	S	S	*	*			trans	53.5	113.4	136	-63.8	171.1	10.8	0	0	119.6
35	T	27.1	Very low	36.3	Very low	149 Å²	149	157.5 Å²	157.5	91%	0.914	82%	0.816	S	S	*	*			trans	-143.2	131.4	131.7	50.3	0	0	0	0	110.7
36	A	37.5	Very low	35.7	Very low	94 Å²	94	156 Å²	156	78%	0.777	82%	0.817	S	S	*	*			trans	-73	150.3	-175.3	0	0	0	0	0	114.1
37	T	28.3	Very low	35.4	Very low	144 Å²	144	156.2 Å²	156.2	88%	0.883	82%	0.818	S	S	*	*			trans	-155.5	120.4	132.3	39.3	0	0	0	0	112
38	R	33.7	Very low	35.2	Very low	238 Å²	238	156.6 Å²	156.6	90%	0.898	82%	0.82	S	S	*	*			trans	4.1	132.4	157	-85.5	175.2	164.4	-179.4	-3.3	119.7
39	K	28.6	Very low	35.2	Very low	211 Å²	211	160.7 Å²	160.7	92%	0.917	83%	0.827	S	S	*	*				-176.6	136.7	102	-93	167	-172.6	-179	0	111.8
40	K	24.8	Very low	35.2	Very low	202 Å²	202	160.4 Å²	160.4	88%	0.878	82%	0.823	S	S	*	*			trans	-88.3	-179.7	167.9	-79	-174.6	174.8	179.8	0	109.6
41	P	45.4	Very low	35.9	Very low	110 Å²	110	160 Å²	160	71%	0.714	82%	0.821	S	S	*	*				-130.1	-169.1	-67.8	34.4	-13.6	0	0	0	112.2
42	V	28.7	Very low	36.1	Very low	118 Å²	118	165 Å²	165	72%	0.715	83%	0.829	S	S	*	*			trans	121	132.3	143.8	-176.1	0	0	0	0	119
43	K	29.5	Very low	36.6	Very low	184 Å²	184	167.1 Å²	167.1	80%	0.8	83%	0.831	S	S	*	*			trans	83.1	105.5	160.7	-83.1	159.6	-172.9	-173.8	0	116.9
44	K	41.5	Very low	37	Very low	185 Å²	185	165.3 Å²	165.3	80%	0.804	84%	0.835	S	S	*	*				47.4	97.6	77.4	-72	-165.9	178.3	-176	0	111.1
45	D	32.3	Very low	37.8	Very low	153 Å²	153	159.2 Å²	159.2	82%	0.818	82%	0.818	S	S	*	*				-174.7	136.8	89.2	-81.9	-35.5	0	0	0	111.4
46	C	36.8	Very low	39.1	Very low	122 Å²	122	157.9 Å²	157.9	82%	0.824	81%	0.81	S	S	*	*			trans	-92.6	113.4	177.2	179.5	0	0	0	0	108.6
47	L	45.6	Very low	39.8	Very low	162 Å²	162	160.3 Å²	160.3	85%	0.848	81%	0.809	S	S	*	*			trans	-137.1	86.5	163.4	-86.8	171.5	0	0	0	108.1
48	L	38.2	Very low	41.1	Very low	160 Å²	160	160.4 Å²	160.4	84%	0.838	80%	0.8	S	S	*	*			trans	-172.5	96.8	140	-116.4	121.1	0	0	0	110.1	F50	L48-F50 PolarHBondContact O-N 3.25Å
49	R	49.7	Very low	42.8	Very low	226 Å²	226	153.6 Å²	153.6	85%	0.853	78%	0.781	S	S	*	*			trans	11.5	93.5	134.5	-158.4	179.1	-126.8	-158.3	-0.3	115.6
50	F	43.5	Very low	45.3	Very low	186 Å²	186	146.6 Å²	146.6	82%	0.816	76%	0.763	S	S	*	*				174.8	131.9	121.2	-106	-86.8	0	0	0	111.4	L48	L48-F50 PolarHBondContact O-N 3.25Å
51	C	47.1	Very low	48.3	Very low	114 Å²	114	139.6 Å²	139.6	77%	0.77	74%	0.743	S	S	*	*	S	Bend	trans	67.9	69.6	165.7	-68.2	0	0	0	0	120.4
52	F	36	Very low	50.3	Low	214 Å²	214	138.4 Å²	138.4	94%	0.939	73%	0.733	S	S	*	*			trans	-153.8	52.1	141.9	-142.7	-91.8	0	0	0	111.9
53	K	44.2	Very low	53.2	Low	212 Å²	212	137.6 Å²	137.6	92%	0.922	73%	0.728	S	S	*	*			trans	-141.5	71.8	169.3	-77.5	-167.7	177.6	-174.9	0	109.2
54	S	43.4	Very low	56.2	Low	118 Å²	118	132.8 Å²	132.8	83%	0.825	71%	0.708	S	S	*	*			trans	-153	52.7	170	-169.3	0	0	0	0	111.2
55	G	52.2	Low	58.6	Low	41 Å²	41	129 Å²	129	42%	0.423	70%	0.697	S	S	.	*	S	Bend	trans	-154.3	30.2	-178	0	0	0	0	0	115.5
56	T	54.2	Low	61.5	Low	122 Å²	122	126.1 Å²	126.1	75%	0.748	68%	0.678	S	S	*	*	S	Bend	trans	-143.5	8.6	-178.7	62.6	0	0	0	0	115.8
57	L	51.4	Low	64.3	Low	145 Å²	145	125.7 Å²	125.7	76%	0.759	66%	0.662	S	S	*	*	S	Bend	trans	-124.2	-36.7	175.4	-78.9	161.6	0	0	0	112.7
58	Q	55.2	Low	66.7	Low	146 Å²	146	124.5 Å²	124.5	68%	0.682	65%	0.646	S	S	*	*	H	α-helix	trans	-65.2	-39.1	169.1	-110.9	87.6	20.2	0	0	111.8	A60 A61 V62	Q58-A60 PolarHBondContact O-N 2.92Å; Q58-A61 PolarHBondContact O-N 3.39Å; Q58-V62 WeakPolarHBondContact O-CB 3.11Å; Q58-V62 VanDerWaalsContact O-CG2 3.24Å; Q58-V62 WeakPolarHBondContact O-CG2 3.3Å; Q58-V62 PolarHBondContact O-N 3.32Å
59	D	70.5	Confident	69.5	Low	94 Å²	94	120.8 Å²	120.8	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-67.6	-35.7	-175.8	-69.2	-8.9	0	0	0	112.8	V62 V63	D59-V62 PolarHBondContact O-N 3.43Å; D59-V63 VanDerWaalsContact O-CB 3.3Å; D59-V63 WeakPolarHBondContact O-CB 3.24Å; D59-V63 WeakPolarHBondContact O-CG2 3.45Å; D59-V63 PolarHBondContact O-N 3.22Å
60	A	81.7	Confident	71.7	Confident	65 Å²	65	113.6 Å²	113.6	54%	0.537	61%	0.605	S	S	.	*	H	α-helix	trans	-66.6	-40.4	176.9	0	0	0	0	0	112	Q58 V63 E64	Q58-A60 PolarHBondContact O-N 2.92Å; A60-V63 PolarHBondContact O-N 3.47Å; A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 PolarHBondContact O-N 3.05Å
61	A	86.3	Confident	74.2	Confident	55 Å²	55	108.9 Å²	108.9	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-69.3	-37.8	175.4	0	0	0	0	0	112.1	Q58 E64 L65	Q58-A61 PolarHBondContact O-N 3.39Å; A61-E64 PolarHBondContact O-N 2.94Å; A61-L65 WeakPolarHBondContact O-CB 3.44Å; A61-L65 WeakPolarHBondContact O-CG 3.34Å; A61-L65 PolarHBondContact O-N 3.39Å
62	V	88	Confident	76.5	Confident	84 Å²	84	108 Å²	108	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-40.2	174.6	170	0	0	0	0	111.2	Q58 D59 L65 Q66	Q58-V62 WeakPolarHBondContact O-CB 3.11Å; Q58-V62 VanDerWaalsContact O-CG2 3.24Å; Q58-V62 WeakPolarHBondContact O-CG2 3.3Å; Q58-V62 PolarHBondContact O-N 3.32Å; D59-V62 PolarHBondContact O-N 3.43Å; V62-L65 PolarHBondContact O-N 2.93Å; V62-Q66 WeakPolarHBondContact O-CB 3.48Å; V62-Q66 PolarHBondContact O-N 2.84Å
63	V	89.7	Confident	79.3	Confident	101 Å²	101	101.9 Å²	101.9	61%	0.612	55%	0.548	S	S	*	.	H	α-helix	trans	-65.3	-41.6	175.7	168.1	0	0	0	0	111.4	D59 A60 Q66 K67	D59-V63 VanDerWaalsContact O-CB 3.3Å; D59-V63 WeakPolarHBondContact O-CB 3.24Å; D59-V63 WeakPolarHBondContact O-CG2 3.45Å; D59-V63 PolarHBondContact O-N 3.22Å; A60-V63 PolarHBondContact O-N 3.47Å; V63-Q66 PolarHBondContact O-N 3.37Å; V63-K67 PolarHBondContact O-N 3Å
64	E	92.7	Very high	81.7	Confident	84 Å²	84	98.2 Å²	98.2	39%	0.393	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174.8	174.3	61.1	-160	0	0	111.9	A60 A61 K67 R68	A60-E64 WeakPolarHBondContact O-CB 3.36Å; A60-E64 PolarHBondContact O-N 3.05Å; A61-E64 PolarHBondContact O-N 2.94Å; E64-K67 WeakPolarHBondContact O-CB 3.37Å; E64-K67 PolarHBondContact O-N 3.49Å; E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 2.82Å; E64-R68 VanDerWaalsContact O-N 3.1Å; E64-R68 IonicContact OE1-CZ 3.55Å; E64-R68 IonicContact OE1-NE 3Å; E64-R68 PolarHBondContact OE1-NE 3.43Å; E64-R68 IonicContact OE1-NH2 3.16Å; E64-R68 PolarHBondContact OE1-NH2 3.32Å; E64-R68 VanDerWaalsContact OE1-NH2 3.16Å
65	L	92.3	Very high	84.1	Confident	106 Å²	106	97.3 Å²	97.3	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-65.8	-39.8	174.5	-74.7	171.4	0	0	0	112	A61 V62 K67 R68 I69	A61-L65 WeakPolarHBondContact O-CB 3.44Å; A61-L65 WeakPolarHBondContact O-CG 3.34Å; A61-L65 PolarHBondContact O-N 3.39Å; V62-L65 PolarHBondContact O-N 2.93Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.42Å; L65-R68 PolarHBondContact O-N 2.92Å; L65-I69 WeakPolarHBondContact O-CG1 3.49Å; L65-I69 PolarHBondContact O-N 3.35Å
66	Q	93.3	Very high	86	Confident	92 Å²	92	99.6 Å²	99.6	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176	-172.6	59.5	51.7	0	0	111	V62 V63 R68 I69 D70	V62-Q66 WeakPolarHBondContact O-CB 3.48Å; V62-Q66 PolarHBondContact O-N 2.84Å; V63-Q66 PolarHBondContact O-N 3.37Å; Q66-R68 VanDerWaalsContact C-N 3.33Å; Q66-R68 PolarHBondContact O-N 2.97Å; Q66-I69 WeakPolarHBondContact O-CB 3.23Å; Q66-I69 PolarHBondContact O-N 3.32Å; Q66-I69 VanDerWaalsContact O-N 3.15Å; Q66-D70 PolarHBondContact NE2-OD1 3.16Å; Q66-D70 VanDerWaalsContact O-CG 3.24Å; Q66-D70 PolarHBondContact O-N 3.48Å
67	K	95.9	Very high	87.6	Confident	113 Å²	113	97.6 Å²	97.6	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-58.5	-44.7	174.5	-173.2	-173.6	176.1	-156.3	0	111.8	V63 E64 L65 I69 D70 E71	V63-K67 PolarHBondContact O-N 3Å; E64-K67 WeakPolarHBondContact O-CB 3.37Å; E64-K67 PolarHBondContact O-N 3.49Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.42Å; K67-I69 VanDerWaalsContact C-N 3.33Å; K67-I69 PolarHBondContact O-N 3.47Å; K67-D70 PolarHBondContact O-N 2.92Å; K67-E71 WeakPolarHBondContact CE-OE1 3.45Å; K67-E71 IonicContact NZ-OE1 3.75Å; K67-E71 WeakPolarHBondContact O-CG 3.45Å; K67-E71 PolarHBondContact O-N 3Å
68	R	95.7	Very high	89.3	Confident	136 Å²	136	94.4 Å²	94.4	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-37	176	-69.1	176.7	-174.4	-127.3	-1.7	112.5	E64 L65 Q66 D70 I72	E64-R68 WeakPolarHBondContact O-CG 3.42Å; E64-R68 PolarHBondContact O-N 2.82Å; E64-R68 VanDerWaalsContact O-N 3.1Å; E64-R68 IonicContact OE1-CZ 3.55Å; E64-R68 IonicContact OE1-NE 3Å; E64-R68 PolarHBondContact OE1-NE 3.43Å; E64-R68 IonicContact OE1-NH2 3.16Å; E64-R68 PolarHBondContact OE1-NH2 3.32Å; E64-R68 VanDerWaalsContact OE1-NH2 3.16Å; L65-R68 PolarHBondContact O-N 2.92Å; Q66-R68 VanDerWaalsContact C-N 3.33Å; Q66-R68 PolarHBondContact O-N 2.97Å; R68-D70 VanDerWaalsContact C-N 3.35Å; R68-I72 WeakPolarHBondContact O-CB 3.38Å; R68-I72 WeakPolarHBondContact O-CD1 3.49Å; R68-I72 WeakPolarHBondContact O-CG1 3.39Å; R68-I72 PolarHBondContact O-N 2.86Å
69	I	96	Very high	90.8	Very high	83 Å²	83	92.3 Å²	92.3	43%	0.426	48%	0.484	S	S	.	.	H	α-helix	trans	-62.4	-45.3	174.1	-70.7	165.9	0	0	0	110	L65 Q66 K67 I72 I73	L65-I69 WeakPolarHBondContact O-CG1 3.49Å; L65-I69 PolarHBondContact O-N 3.35Å; Q66-I69 WeakPolarHBondContact O-CB 3.23Å; Q66-I69 PolarHBondContact O-N 3.32Å; Q66-I69 VanDerWaalsContact O-N 3.15Å; K67-I69 VanDerWaalsContact C-N 3.33Å; K67-I69 PolarHBondContact O-N 3.47Å; I69-I72 PolarHBondContact O-N 3.15Å; I69-I73 HydrophobicContact CG2-CD1 3.69Å; I69-I73 HydrophobicContact CG2-CG1 4.38Å; I69-I73 WeakPolarHBondContact O-CB 3.23Å; I69-I73 VanDerWaalsContact O-CG1 3.23Å; I69-I73 WeakPolarHBondContact O-CG1 3.47Å; I69-I73 PolarHBondContact O-N 2.92Å
70	D	95.6	Very high	91.4	Very high	74 Å²	74	94.2 Å²	94.2	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-42.3	179.8	-62.2	-20.6	0	0	0	111.6	Q66 K67 R68 I73 Q74	Q66-D70 PolarHBondContact NE2-OD1 3.16Å; Q66-D70 VanDerWaalsContact O-CG 3.24Å; Q66-D70 PolarHBondContact O-N 3.48Å; K67-D70 PolarHBondContact O-N 2.92Å; R68-D70 VanDerWaalsContact C-N 3.35Å; D70-I73 PolarHBondContact O-N 3.25Å; D70-Q74 WeakPolarHBondContact O-CG 3.18Å; D70-Q74 PolarHBondContact O-N 2.95Å
71	E	96.2	Very high	91.2	Very high	87 Å²	87	97.6 Å²	97.6	41%	0.407	49%	0.492	S	S	.	.	H	α-helix	trans	-60.3	-46.7	173	-74	172.8	-179.8	0	0	111.5	K67 I73 Q74 D75	K67-E71 WeakPolarHBondContact CE-OE1 3.45Å; K67-E71 IonicContact NZ-OE1 3.75Å; K67-E71 WeakPolarHBondContact O-CG 3.45Å; K67-E71 PolarHBondContact O-N 3Å; E71-I73 VanDerWaalsContact C-N 3.34Å; E71-I73 PolarHBondContact O-N 3.1Å; E71-Q74 WeakPolarHBondContact O-CB 3.39Å; E71-Q74 PolarHBondContact O-N 3.21Å; E71-D75 PolarHBondContact O-N 3.01Å
72	I	95.9	Very high	90.9	Very high	97 Å²	97	99.6 Å²	99.6	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-41.3	176.7	-71.1	165.2	0	0	0	110.9	R68 I69 Q74 D75 L76	R68-I72 WeakPolarHBondContact O-CB 3.38Å; R68-I72 WeakPolarHBondContact O-CD1 3.49Å; R68-I72 WeakPolarHBondContact O-CG1 3.39Å; R68-I72 PolarHBondContact O-N 2.86Å; I69-I72 PolarHBondContact O-N 3.15Å; I72-Q74 VanDerWaalsContact C-N 3.3Å; I72-Q74 PolarHBondContact O-N 3.45Å; I72-D75 PolarHBondContact O-N 3.42Å; I72-L76 HydrophobicContact CG2-CD1 3.99Å; I72-L76 HydrophobicContact CG2-CG 4.13Å; I72-L76 WeakPolarHBondContact O-CB 3.41Å; I72-L76 VanDerWaalsContact O-CG 3.24Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 2.81Å
73	I	95	Very high	90.4	Very high	84 Å²	84	102 Å²	102	43%	0.431	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177.3	-71.9	166.4	0	0	0	110.3	I69 D70 E71 L76 N77	I69-I73 HydrophobicContact CG2-CD1 3.69Å; I69-I73 HydrophobicContact CG2-CG1 4.38Å; I69-I73 WeakPolarHBondContact O-CB 3.23Å; I69-I73 VanDerWaalsContact O-CG1 3.23Å; I69-I73 WeakPolarHBondContact O-CG1 3.47Å; I69-I73 PolarHBondContact O-N 2.92Å; D70-I73 PolarHBondContact O-N 3.25Å; E71-I73 VanDerWaalsContact C-N 3.34Å; E71-I73 PolarHBondContact O-N 3.1Å; I73-L76 PolarHBondContact O-N 3.3Å; I73-N77 PolarHBondContact O-N 2.97Å; I73-N77 PolarHBondContact O-ND2 3.21Å
74	Q	95.1	Very high	89.5	Confident	135 Å²	135	99.6 Å²	99.6	63%	0.631	49%	0.487	S	S	*	.	H	α-helix	trans	-61.5	-48.1	174.7	-73	178.1	2.8	0	0	111.7	D70 E71 I72 L76 N77 L78	D70-Q74 WeakPolarHBondContact O-CG 3.18Å; D70-Q74 PolarHBondContact O-N 2.95Å; E71-Q74 WeakPolarHBondContact O-CB 3.39Å; E71-Q74 PolarHBondContact O-N 3.21Å; I72-Q74 VanDerWaalsContact C-N 3.3Å; I72-Q74 PolarHBondContact O-N 3.45Å; Q74-L76 VanDerWaalsContact C-N 3.33Å; Q74-L76 PolarHBondContact O-N 3.3Å; Q74-N77 PolarHBondContact O-N 2.98Å; Q74-L78 PolarHBondContact O-N 3.18Å
75	D	93.6	Very high	88.7	Confident	99 Å²	99	97.2 Å²	97.2	53%	0.529	48%	0.477	S	S	.	.	H	α-helix	trans	-61.8	-40.6	177.4	-80.1	-10.4	0	0	0	112	E71 I72 N77 L78 L79	E71-D75 PolarHBondContact O-N 3.01Å; I72-D75 PolarHBondContact O-N 3.42Å; D75-N77 VanDerWaalsContact C-N 3.32Å; D75-N77 PolarHBondContact O-N 3.45Å; D75-L78 PolarHBondContact O-N 3.42Å; D75-L79 WeakPolarHBondContact O-CB 3.47Å; D75-L79 WeakPolarHBondContact O-CG 3.45Å; D75-L79 PolarHBondContact O-N 2.69Å
76	L	91	Very high	87.9	Confident	89 Å²	89	98.1 Å²	98.1	47%	0.466	48%	0.478	S	S	.	.	H	α-helix	trans	-63.9	-37.8	176.2	-73.5	-179.9	0	0	0	112	I72 I73 Q74 K80	I72-L76 HydrophobicContact CG2-CD1 3.99Å; I72-L76 HydrophobicContact CG2-CG 4.13Å; I72-L76 WeakPolarHBondContact O-CB 3.41Å; I72-L76 VanDerWaalsContact O-CG 3.24Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 2.81Å; I73-L76 PolarHBondContact O-N 3.3Å; Q74-L76 VanDerWaalsContact C-N 3.33Å; Q74-L76 PolarHBondContact O-N 3.3Å; L76-K80 WeakPolarHBondContact O-CB 3.18Å; L76-K80 VanDerWaalsContact O-CG 3.23Å; L76-K80 WeakPolarHBondContact O-CG 3.45Å; L76-K80 PolarHBondContact O-N 2.91Å
77	N	88.3	Confident	87.1	Confident	80 Å²	80	96 Å²	96	43%	0.428	47%	0.474	S	S	.	.	H	α-helix	trans	-66.1	-45.2	175.1	-68.5	-25.8	0	0	0	110.8	I73 Q74 D75 L79 K80 E81	I73-N77 PolarHBondContact O-N 2.97Å; I73-N77 PolarHBondContact O-ND2 3.21Å; Q74-N77 PolarHBondContact O-N 2.98Å; D75-N77 VanDerWaalsContact C-N 3.32Å; D75-N77 PolarHBondContact O-N 3.45Å; N77-L79 PolarHBondContact O-N 2.89Å; N77-K80 WeakPolarHBondContact O-CB 3.32Å; N77-K80 PolarHBondContact O-N 3.28Å; N77-E81 WeakPolarHBondContact O-CG 3.38Å; N77-E81 PolarHBondContact O-N 3.29Å
78	L	87.7	Confident	86.3	Confident	79 Å²	79	91.3 Å²	91.3	41%	0.414	45%	0.454	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.7	-178.8	65.1	0	0	0	112.3	Q74 D75 K80 E81 K82	Q74-L78 PolarHBondContact O-N 3.18Å; D75-L78 PolarHBondContact O-N 3.42Å; L78-K80 VanDerWaalsContact C-N 3.35Å; L78-E81 PolarHBondContact O-N 2.89Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 3.36Å
79	L	86.6	Confident	85.7	Confident	102 Å²	102	86.1 Å²	86.1	53%	0.534	44%	0.439	S	S	.	.	H	α-helix	trans	-66.9	-36.9	178	-72.6	173.5	0	0	0	111.6	D75 N77 K82 Q83	D75-L79 WeakPolarHBondContact O-CB 3.47Å; D75-L79 WeakPolarHBondContact O-CG 3.45Å; D75-L79 PolarHBondContact O-N 2.69Å; N77-L79 PolarHBondContact O-N 2.89Å; L79-K82 PolarHBondContact O-N 2.83Å; L79-Q83 VanDerWaalsContact O-CB 3.32Å; L79-Q83 WeakPolarHBondContact O-CB 3.19Å; L79-Q83 PolarHBondContact O-N 3.38Å
80	K	82.3	Confident	85	Confident	134 Å²	134	89.2 Å²	89.2	58%	0.583	46%	0.456	S	S	*	.	H	α-helix	trans	-62.5	-43	172.8	-78	171.7	179.2	177.7	0	111.6	L76 N77 L78 Q83 A84	L76-K80 WeakPolarHBondContact O-CB 3.18Å; L76-K80 VanDerWaalsContact O-CG 3.23Å; L76-K80 WeakPolarHBondContact O-CG 3.45Å; L76-K80 PolarHBondContact O-N 2.91Å; N77-K80 WeakPolarHBondContact O-CB 3.32Å; N77-K80 PolarHBondContact O-N 3.28Å; L78-K80 VanDerWaalsContact C-N 3.35Å; K80-Q83 PolarHBondContact O-N 2.92Å; K80-A84 WeakPolarHBondContact O-CB 3.32Å; K80-A84 PolarHBondContact O-N 3.25Å
81	E	78.6	Confident	84.6	Confident	136 Å²	136	93.6 Å²	93.6	64%	0.636	47%	0.466	S	S	*	.	H	α-helix	trans	-63.2	-44.7	175.3	-70.7	175.6	179.9	0	0	111.6	N77 L78 Q83 A84 L85	N77-E81 WeakPolarHBondContact O-CG 3.38Å; N77-E81 PolarHBondContact O-N 3.29Å; L78-E81 PolarHBondContact O-N 2.89Å; E81-Q83 PolarHBondContact O-N 2.99Å; E81-A84 PolarHBondContact O-N 2.79Å; E81-L85 PolarHBondContact O-N 3.45Å
82	K	79.8	Confident	84.3	Confident	97 Å²	97	90.1 Å²	90.1	42%	0.422	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-39.7	175.1	-74.8	-176.1	176	-177	0	112.8	L78 L79 L85 Q86	L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 3.36Å; L79-K82 PolarHBondContact O-N 2.83Å; K82-L85 PolarHBondContact O-N 3.44Å; K82-Q86 WeakPolarHBondContact O-CG 3.46Å; K82-Q86 PolarHBondContact O-N 3.29Å
83	Q	78	Confident	84.2	Confident	133 Å²	133	88.3 Å²	88.3	62%	0.621	44%	0.444	S	S	*	.	H	α-helix	trans	-68.4	-39.2	176.7	-173.6	178.5	3.5	0	0	111.6	L79 K80 E81 Q86 S87	L79-Q83 VanDerWaalsContact O-CB 3.32Å; L79-Q83 WeakPolarHBondContact O-CB 3.19Å; L79-Q83 PolarHBondContact O-N 3.38Å; K80-Q83 PolarHBondContact O-N 2.92Å; E81-Q83 PolarHBondContact O-N 2.99Å; Q83-Q86 PolarHBondContact O-N 3.32Å; Q83-S87 PolarHBondContact O-N 3.03Å
84	A	70.4	Confident	84.1	Confident	52 Å²	52	89.9 Å²	89.9	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-46.6	174.4	0	0	0	0	0	110.7	K80 E81 Q86 S87 V88	K80-A84 WeakPolarHBondContact O-CB 3.32Å; K80-A84 PolarHBondContact O-N 3.25Å; E81-A84 PolarHBondContact O-N 2.79Å; A84-Q86 PolarHBondContact O-N 3.16Å; A84-S87 PolarHBondContact O-N 3.43Å; A84-S87 PolarHBondContact O-OG 3.01Å; A84-V88 WeakPolarHBondContact O-CG2 3.38Å; A84-V88 PolarHBondContact O-N 3.46Å; A84-V88 VanDerWaalsContact O-N 3.11Å
85	L	74.8	Confident	84	Confident	33 Å²	33	83.5 Å²	83.5	17%	0.173	42%	0.418	C	S	.	.	H	α-helix	trans	-59.2	-46.5	173.9	-179.2	67.2	0	0	0	111.8	E81 K82 S87 V88 C89 F218 I220	E81-L85 PolarHBondContact O-N 3.45Å; K82-L85 PolarHBondContact O-N 3.44Å; L85-S87 VanDerWaalsContact C-N 3.3Å; L85-S87 PolarHBondContact O-N 3.25Å; L85-V88 PolarHBondContact O-N 3.38Å; L85-V88 VanDerWaalsContact O-N 3.16Å; L85-C89 PolarHBondContact O-N 3.29Å; L85-C89 PolarHBondContact O-SG 2.86Å; L85-F218 HydrophobicContact CD1-CB 3.73Å; L85-I220 HydrophobicContact CD2-CB 4.27Å; L85-I220 HydrophobicContact CD2-CG1 4.25Å; L85-I220 HydrophobicContact CD2-CG2 4.13Å
86	Q	76.6	Confident	83.7	Confident	125 Å²	125	84.5 Å²	84.5	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-57.8	-41.8	175.4	-77.8	178.3	-10	0	0	111.9	K82 Q83 A84 V88 C89 L90	K82-Q86 WeakPolarHBondContact O-CG 3.46Å; K82-Q86 PolarHBondContact O-N 3.29Å; Q83-Q86 PolarHBondContact O-N 3.32Å; A84-Q86 PolarHBondContact O-N 3.16Å; Q86-V88 VanDerWaalsContact C-N 3.3Å; Q86-V88 PolarHBondContact O-N 3.32Å; Q86-C89 PolarHBondContact O-N 3.28Å; Q86-L90 WeakPolarHBondContact O-CB 3.33Å; Q86-L90 WeakPolarHBondContact O-CG 3.38Å; Q86-L90 PolarHBondContact O-N 2.68Å
87	S	76.6	Confident	83.6	Confident	49 Å²	49	88.1 Å²	88.1	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-32	178.4	81.5	0	0	0	0	113.4	Q83 A84 L85 R91	Q83-S87 PolarHBondContact O-N 3.03Å; A84-S87 PolarHBondContact O-N 3.43Å; A84-S87 PolarHBondContact O-OG 3.01Å; L85-S87 VanDerWaalsContact C-N 3.3Å; L85-S87 PolarHBondContact O-N 3.25Å; S87-R91 WeakPolarHBondContact O-CG 3.38Å; S87-R91 PolarHBondContact O-N 3.38Å; S87-R91 PolarHBondContact O-NE 3.11Å
88	V	77.8	Confident	83.8	Confident	13 Å²	13	85.9 Å²	85.9	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-73.1	-47.5	175.4	173.2	0	0	0	0	110.1	A84 L85 Q86 L90 R91 G92 L101 F218	A84-V88 WeakPolarHBondContact O-CG2 3.38Å; A84-V88 PolarHBondContact O-N 3.46Å; A84-V88 VanDerWaalsContact O-N 3.11Å; L85-V88 PolarHBondContact O-N 3.38Å; L85-V88 VanDerWaalsContact O-N 3.16Å; Q86-V88 VanDerWaalsContact C-N 3.3Å; Q86-V88 PolarHBondContact O-N 3.32Å; V88-L90 PolarHBondContact O-N 3.01Å; V88-R91 PolarHBondContact O-N 3.16Å; V88-R91 VanDerWaalsContact O-N 3.16Å; V88-G92 PolarHBondContact O-N 3.35Å; V88-L101 HydrophobicContact CG1-CB 4.04Å; V88-L101 HydrophobicContact CG1-CD2 4.29Å; V88-F218 HydrophobicContact CG1-CD2 3.49Å; V88-F218 VanDerWaalsContact CG1-CD2 3.49Å; V88-F218 HydrophobicContact CG1-CE2 3.5Å; V88-F218 VanDerWaalsContact CG1-CE2 3.5Å; V88-F218 HydrophobicContact CG1-CG 4.07Å; V88-F218 HydrophobicContact CG1-CZ 4.07Å
89	C	84	Confident	84.2	Confident	28 Å²	28	82.1 Å²	82.1	19%	0.189	40%	0.397	C	S	.	.	H	α-helix	trans	-61.4	-29.9	175.7	-56.9	0	0	0	0	113.1	L85 Q86 C99	L85-C89 PolarHBondContact O-N 3.29Å; L85-C89 PolarHBondContact O-SG 2.86Å; Q86-C89 PolarHBondContact O-N 3.28Å; C89-C99 HydrophobicContact CB-CB 3.89Å; C89-C99 WeakPolarHBondContact CB-SG 3.41Å; C89-C99 WeakPolarHBondContact SG-CB 3.13Å; C89-C99 CovalentContact SG-SG 2.01Å; C89-C99 PolarHBondContact SG-SG 3.44Å
90	L	80.6	Confident	84.6	Confident	148 Å²	148	77.2 Å²	77.2	78%	0.775	37%	0.372	S	S	*	.	H	α-helix	trans	-75.8	-30.7	176.9	-75.5	170	0	0	0	113	Q86 V88	Q86-L90 WeakPolarHBondContact O-CB 3.33Å; Q86-L90 WeakPolarHBondContact O-CG 3.38Å; Q86-L90 PolarHBondContact O-N 2.68Å; V88-L90 PolarHBondContact O-N 3.01Å
91	R	86.9	Confident	85.3	Confident	165 Å²	165	72 Å²	72	62%	0.623	35%	0.35	S	S	*	.	H	α-helix	trans	-87.6	-21.7	177.7	-72.2	-173.3	-65.2	147	-2	113.1	S87 V88 L101	S87-R91 WeakPolarHBondContact O-CG 3.38Å; S87-R91 PolarHBondContact O-N 3.38Å; S87-R91 PolarHBondContact O-NE 3.11Å; V88-R91 PolarHBondContact O-N 3.16Å; V88-R91 VanDerWaalsContact O-N 3.16Å; R91-L101 HydrophobicContact CB-CD1 4.18Å
92	G	91.2	Very high	86.1	Confident	15 Å²	15	66.4 Å²	66.4	16%	0.155	33%	0.327	C	S	.	.	S	Bend	trans	-115.2	-145.9	-178.2	0	0	0	0	0	113.5	V88 F100 Y138	V88-G92 PolarHBondContact O-N 3.35Å; G92-F100 CarbonylContact C-O 3.57Å; G92-F100 WeakPolarHBondContact CA-O 3.48Å; G92-Y138 WeakPolarHBondContact CA-OH 3.32Å
93	E	93.3	Very high	86.9	Confident	58 Å²	58	63.3 Å²	63.3	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.3	-178.7	-179.1	68.5	-172.2	0	0	110.6	I95 C99 F100 R134 Y138	E93-I95 HydrophobicContact CG-CD1 4.25Å; E93-I95 HydrophobicContact CG-CG1 3.86Å; E93-C99 CarbonylContact O-C 3.6Å; E93-C99 WeakPolarHBondContact O-CA 3.3Å; E93-F100 PolarHBondContact N-O 2.98Å; E93-F100 PolarHBondContact O-N 3.17Å; E93-R134 IonicContact OE1-CZ 2.65Å; E93-R134 IonicContact OE1-NE 2.82Å; E93-R134 IonicContact OE1-NH2 3.25Å; E93-R134 PolarHBondContact OE1-NH2 2.88Å; E93-Y138 HydrophobicContact CB-CD1 3.82Å; E93-Y138 HydrophobicContact CB-CD2 3.61Å; E93-Y138 HydrophobicContact CB-CE1 4.22Å; E93-Y138 HydrophobicContact CB-CE2 4.05Å; E93-Y138 HydrophobicContact CB-CG 3.47Å; E93-Y138 VanDerWaalsContact CB-CG 3.47Å; E93-Y138 HydrophobicContact CG-CG 4.22Å
94	K	93.1	Very high	87.8	Confident	118 Å²	118	60.6 Å²	60.6	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.8	171.7	-178.5	179.3	172.7	178.3	0	110.5	H96 R134 I220	K94-H96 VanDerWaalsContact CE-O 3.25Å; K94-H96 WeakPolarHBondContact CE-O 3.1Å; K94-R134 PolarHBondContact O-NH2 3.35Å; K94-I220 HydrophobicContact CD-CD1 4.05Å; K94-I220 HydrophobicContact CG-CD1 4.2Å
95	I	93	Very high	89.1	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	111.9	173.5	-47.5	170.6	0	0	0	107.5	E93 K97 K98 F100 E131 R134 L135	E93-I95 HydrophobicContact CG-CD1 4.25Å; E93-I95 HydrophobicContact CG-CG1 3.86Å; I95-K97 PolarHBondContact O-N 2.93Å; I95-K97 VanDerWaalsContact O-N 3.16Å; I95-K98 PolarHBondContact N-O 3.47Å; I95-K98 PolarHBondContact O-N 3.11Å; I95-K98 VanDerWaalsContact O-O 3.1Å; I95-F100 HydrophobicContact CB-CD2 4.28Å; I95-F100 HydrophobicContact CB-CE2 3.8Å; I95-F100 HydrophobicContact CD1-CD2 3.78Å; I95-F100 HydrophobicContact CD1-CE2 3.75Å; I95-F100 HydrophobicContact CG1-CD2 3.95Å; I95-F100 HydrophobicContact CG1-CE2 3.93Å; I95-E131 HydrophobicContact CD1-CG 4.46Å; I95-E131 HydrophobicContact CG2-CB 4.39Å; I95-E131 HydrophobicContact CG2-CG 4.27Å; I95-R134 HydrophobicContact CD1-CB 3.62Å; I95-R134 HydrophobicContact CG1-CB 4.2Å; I95-L135 HydrophobicContact CD1-CB 4.34Å
96	H	87.6	Confident	90.2	Very high	120 Å²	120	68.6 Å²	68.6	56%	0.556	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	-115.6	-176.5	-65	95.5	0	0	0	113.4	K94 E130	K94-H96 VanDerWaalsContact CE-O 3.25Å; K94-H96 WeakPolarHBondContact CE-O 3.1Å; H96-E130 IonicContact CE1-OE1 3.67Å; H96-E130 IonicContact CE1-OE2 3.76Å
97	K	88.9	Confident	91.2	Very high	165 Å²	165	64.7 Å²	64.7	72%	0.717	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	17.8	-179.4	-64.4	-173.4	178.6	-177.4	0	112.7	I95 I220	I95-K97 PolarHBondContact O-N 2.93Å; I95-K97 VanDerWaalsContact O-N 3.16Å; K97-I220 WeakPolarHBondContact O-CB 3.45Å; K97-I220 WeakPolarHBondContact O-CG1 3.41Å; K97-I220 PolarHBondContact O-N 3.04Å
98	K	92.9	Very high	92.3	Very high	32 Å²	32	68.6 Å²	68.6	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.6	179.2	-63.4	-179.3	176.4	-169.1	0	110.7	I95 F100 T125 E131 E217 F218	I95-K98 PolarHBondContact N-O 3.47Å; I95-K98 PolarHBondContact O-N 3.11Å; I95-K98 VanDerWaalsContact O-O 3.1Å; K98-F100 HydrophobicContact CB-CE2 3.59Å; K98-F100 HydrophobicContact CB-CZ 3.73Å; K98-F100 HydrophobicContact CD-CE2 4.38Å; K98-F100 HydrophobicContact CD-CZ 3.73Å; K98-F100 HydrophobicContact CG-CZ 4.45Å; K98-T125 PolarHBondContact NZ-O 2.96Å; K98-E131 WeakPolarHBondContact CD-OE1 3.36Å; K98-E131 IonicContact NZ-OE1 3.92Å; K98-E131 PolarHBondContact NZ-OE1 2.65Å; K98-E217 IonicContact NZ-OE2 3.58Å; K98-E217 PolarHBondContact NZ-OE2 3.41Å; K98-F218 CarbonylContact C-O 3.17Å; K98-F218 WeakPolarHBondContact CA-O 3.05Å
99	C	94.8	Very high	93.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.7	169.3	-64.8	0	0	0	0	110	C89 E93 E217 F218	C89-C99 HydrophobicContact CB-CB 3.89Å; C89-C99 WeakPolarHBondContact CB-SG 3.41Å; C89-C99 WeakPolarHBondContact SG-CB 3.13Å; C89-C99 CovalentContact SG-SG 2.01Å; C89-C99 PolarHBondContact SG-SG 3.44Å; E93-C99 CarbonylContact O-C 3.6Å; E93-C99 WeakPolarHBondContact O-CA 3.3Å; C99-E217 CarbonylContact O-C 3.52Å; C99-E217 WeakPolarHBondContact O-CA 3.4Å; C99-F218 HydrophobicContact CB-CB 4.49Å; C99-F218 PolarHBondContact N-O 2.72Å; C99-F218 PolarHBondContact O-N 3.36Å
100	F	95.9	Very high	93.9	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.9	-174.4	-63.1	-86.7	0	0	0	110.8	G92 E93 I95 K98 A124 E131 L135 Y138 V215 C216 E217	G92-F100 CarbonylContact C-O 3.57Å; G92-F100 WeakPolarHBondContact CA-O 3.48Å; E93-F100 PolarHBondContact N-O 2.98Å; E93-F100 PolarHBondContact O-N 3.17Å; I95-F100 HydrophobicContact CB-CD2 4.28Å; I95-F100 HydrophobicContact CB-CE2 3.8Å; I95-F100 HydrophobicContact CD1-CD2 3.78Å; I95-F100 HydrophobicContact CD1-CE2 3.75Å; I95-F100 HydrophobicContact CG1-CD2 3.95Å; I95-F100 HydrophobicContact CG1-CE2 3.93Å; K98-F100 HydrophobicContact CB-CE2 3.59Å; K98-F100 HydrophobicContact CB-CZ 3.73Å; K98-F100 HydrophobicContact CD-CE2 4.38Å; K98-F100 HydrophobicContact CD-CZ 3.73Å; K98-F100 HydrophobicContact CG-CZ 4.45Å; F100-A124 HydrophobicContact CD1-CB 3.75Å; F100-A124 HydrophobicContact CE1-CB 3.8Å; F100-E131 HydrophobicContact CZ-CG 4.07Å; F100-E131 WeakPolarHBondContact CZ-OE1 3.5Å; F100-L135 HydrophobicContact CB-CD1 3.83Å; F100-L135 HydrophobicContact CD1-CD1 3.47Å; F100-L135 VanDerWaalsContact CD1-CD1 3.47Å; F100-L135 HydrophobicContact CD1-CD2 4.49Å; F100-L135 HydrophobicContact CD2-CD1 4.4Å; F100-L135 HydrophobicContact CE1-CD1 4.12Å; F100-L135 HydrophobicContact CE1-CD2 4.46Å; F100-L135 HydrophobicContact CG-CD1 3.62Å; F100-Y138 HydrophobicContact CB-CD1 4.3Å; F100-Y138 HydrophobicContact CB-CE1 4.05Å; F100-Y138 WeakPolarHBondContact O-CE1 3.43Å; F100-Y138 PolarHBondContact O-OH 2.95Å; F100-Y138 VanDerWaalsContact O-OH 3.06Å; F100-V215 HydrophobicContact CB-CG2 4Å; F100-V215 HydrophobicContact CD1-CG2 4.27Å; F100-C216 CarbonylContact C-O 3.59Å; F100-C216 VanDerWaalsContact CA-O 3.23Å; F100-C216 WeakPolarHBondContact CA-O 3.12Å; F100-E217 HydrophobicContact CD1-CB 3.86Å; F100-E217 HydrophobicContact CE1-CB 3.61Å; F100-E217 HydrophobicContact CZ-CB 4.4Å
101	L	96.1	Very high	94.8	Very high	25 Å²	25	67.2 Å²	67.2	13%	0.131	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.1	177.7	-172.6	66	0	0	0	109.7	V88 R91 L119 Y138 V215 C216 F218	V88-L101 HydrophobicContact CG1-CB 4.04Å; V88-L101 HydrophobicContact CG1-CD2 4.29Å; R91-L101 HydrophobicContact CB-CD1 4.18Å; L101-L119 HydrophobicContact CD2-CD1 4.31Å; L101-Y138 WeakPolarHBondContact CA-OH 3.37Å; L101-V215 WeakPolarHBondContact O-CA 3.38Å; L101-C216 PolarHBondContact N-O 2.79Å; L101-C216 PolarHBondContact O-N 3.32Å; L101-F218 HydrophobicContact CB-CE2 3.92Å
102	A	96.6	Very high	95.3	Very high	17 Å²	17	59.3 Å²	59.3	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	135.2	177.2	0	0	0	0	0	110.4	Y138 V143	A102-Y138 HydrophobicContact CB-CE1 3.98Å; A102-Y138 PolarHBondContact N-OH 2.89Å; A102-V143 HydrophobicContact CB-CG2 3.97Å
103	D	96.5	Very high	95.7	Very high	33 Å²	33	59.3 Å²	59.3	18%	0.176	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.5	165.6	-176	1.2	0	0	0	108.5	L105 K107 P213 S214	D103-L105 PolarHBondContact O-N 3.46Å; D103-L105 WeakPolarHBondContact OD1-CB 3.47Å; D103-L105 PolarHBondContact OD1-N 2.89Å; D103-K107 IonicContact OD2-NZ 2.65Å; D103-K107 PolarHBondContact OD2-NZ 3.3Å; D103-P213 WeakPolarHBondContact O-CA 3.38Å; D103-P213 WeakPolarHBondContact O-CB 3.44Å; D103-S214 PolarHBondContact N-O 2.04Å; D103-S214 PolarHBondContact O-N 3.47Å
104	P	96.1	Very high	95.9	Very high	75 Å²	75	62.6 Å²	62.6	49%	0.487	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-14.4	-179.4	29.7	-35	0	0	0	113.2	K106 V143	P104-K106 PolarHBondContact O-N 3.31Å; P104-V143 HydrophobicContact CB-CG1 4.26Å; P104-V143 HydrophobicContact CB-CG2 4.17Å
105	L	97.1	Very high	96.1	Very high	109 Å²	109	59.2 Å²	59.2	57%	0.571	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	123.8	-179.7	-64.5	179.6	0	0	0	110.5	D103 K107	D103-L105 PolarHBondContact O-N 3.46Å; D103-L105 WeakPolarHBondContact OD1-CB 3.47Å; D103-L105 PolarHBondContact OD1-N 2.89Å; L105-K107 PolarHBondContact O-N 3.5Å
106	K	98.1	Very high	96.3	Very high	144 Å²	144	59.2 Å²	59.2	63%	0.626	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.4	178.7	-60.3	-170.1	179.8	-179.2	0	110.4	P104 E211 K212	P104-K106 PolarHBondContact O-N 3.31Å; K106-E211 HydrophobicContact CB-CB 4.01Å; K106-K212 WeakPolarHBondContact CA-O 3.48Å
107	K	98.3	Very high	96.7	Very high	43 Å²	43	57.3 Å²	57.3	19%	0.187	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.7	-178	-65	171.2	-174	163.4	0	110.1	D103 L105 T111 A112 D115 W150 E211 K212	D103-K107 IonicContact OD2-NZ 2.65Å; D103-K107 PolarHBondContact OD2-NZ 3.3Å; L105-K107 PolarHBondContact O-N 3.5Å; K107-T111 HydrophobicContact CB-CG2 4.41Å; K107-T111 HydrophobicContact CD-CG2 4.21Å; K107-A112 HydrophobicContact CB-CB 4.48Å; K107-D115 WeakPolarHBondContact CD-OD2 3.28Å; K107-D115 VanDerWaalsContact CE-OD2 3.3Å; K107-D115 WeakPolarHBondContact CE-OD2 3.23Å; K107-D115 IonicContact NZ-OD2 3.68Å; K107-D115 PolarHBondContact NZ-OD2 3.38Å; K107-W150 PolarHBondContact O-NE1 3.23Å; K107-E211 WeakPolarHBondContact O-CA 3.49Å; K107-K212 PolarHBondContact N-O 3.18Å; K107-K212 PolarHBondContact O-N 2.7Å
108	R	98.7	Very high	97	Very high	132 Å²	132	53.9 Å²	53.9	50%	0.498	28%	0.276	S	S	.	.			trans	-68	155.4	170.9	-62.4	-175.2	179.6	166.9	3.9	110.7	H110 T111 A112 R209 E210 E211	R108-H110 PolarHBondContact O-N 2.93Å; R108-T111 PolarHBondContact O-N 3.04Å; R108-A112 WeakPolarHBondContact O-CB 3.42Å; R108-A112 PolarHBondContact O-N 3.13Å; R108-R209 WeakPolarHBondContact CG-O 3.34Å; R108-R209 PolarHBondContact NE-O 2.92Å; R108-E210 WeakPolarHBondContact CA-O 3.45Å; R108-E211 HydrophobicContact CG-CG 4.2Å
109	Y	98.6	Very high	96.9	Very high	3 Å²	3	57 Å²	57	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-53.6	-49.2	-176.1	-179.6	-89.7	0	0	0	113	T111 A112 S113 L123 W150 L151 V153 N154 M156 Q165 C193 C208	Y109-T111 PolarHBondContact O-N 3.23Å; Y109-A112 PolarHBondContact O-N 3.34Å; Y109-S113 PolarHBondContact O-N 3.01Å; Y109-L123 HydrophobicContact CD2-CD1 4.25Å; Y109-L123 HydrophobicContact CE1-CD1 4.46Å; Y109-L123 HydrophobicContact CE2-CD1 3.97Å; Y109-W150 AromaticContact CD2-CD2 3.97Å; Y109-W150 HydrophobicContact CD2-CD2 3.97Å; Y109-W150 AromaticContact CD2-CE3 3.76Å; Y109-W150 HydrophobicContact CD2-CE3 3.76Å; Y109-W150 HydrophobicContact CD2-CG 4.31Å; Y109-W150 HydrophobicContact CD2-CZ3 4.31Å; Y109-L151 WeakPolarHBondContact CE2-O 3.41Å; Y109-V153 PolarHBondContact OH-O 2.99Å; Y109-N154 PolarHBondContact OH-ND2 3.44Å; Y109-M156 HydrophobicContact CD1-CE 3.92Å; Y109-M156 HydrophobicContact CE1-CE 3.47Å; Y109-M156 VanDerWaalsContact CE1-CE 3.47Å; Y109-Q165 PolarHBondContact OH-NE2 3.37Å; Y109-C193 WeakPolarHBondContact CD1-SG 3.46Å; Y109-C193 HydrophobicContact CD2-CB 3.57Å; Y109-C193 VanDerWaalsContact CD2-SG 3.57Å; Y109-C193 HydrophobicContact CE2-CB 3.93Å; Y109-C193 HydrophobicContact CG-CB 3.89Å; Y109-C208 PolarHBondContact N-O 3.23Å; Y109-C208 VanDerWaalsContact N-O 3.16Å
110	H	98.3	Very high	96.7	Very high	98 Å²	98	60.3 Å²	60.3	45%	0.454	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-42	-178.9	-64.6	-68.1	0	0	0	112.4	R108 A112 S113 E114 M156	R108-H110 PolarHBondContact O-N 2.93Å; H110-A112 VanDerWaalsContact C-N 3.35Å; H110-A112 PolarHBondContact O-N 3.46Å; H110-S113 WeakPolarHBondContact O-CB 3.4Å; H110-S113 PolarHBondContact O-N 3.49Å; H110-E114 WeakPolarHBondContact O-CG 3.4Å; H110-E114 PolarHBondContact O-N 2.9Å; H110-M156 PolarHBondContact CE1-SD 3.09Å
111	T	98.6	Very high	96.6	Very high	58 Å²	58	60.7 Å²	60.7	36%	0.356	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.3	-51.5	0	0	0	0	111.1	K107 R108 Y109 S113 E114 D115	K107-T111 HydrophobicContact CB-CG2 4.41Å; K107-T111 HydrophobicContact CD-CG2 4.21Å; R108-T111 PolarHBondContact O-N 3.04Å; Y109-T111 PolarHBondContact O-N 3.23Å; T111-S113 VanDerWaalsContact C-N 3.32Å; T111-S113 PolarHBondContact O-N 2.9Å; T111-E114 PolarHBondContact O-N 3.36Å; T111-D115 VanDerWaalsContact O-CG 3.27Å; T111-D115 PolarHBondContact O-N 3.06Å
112	A	98.4	Very high	96.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-37.1	175.3	0	0	0	0	0	112.6	K107 R108 Y109 H110 C116 L123	K107-A112 HydrophobicContact CB-CB 4.48Å; R108-A112 WeakPolarHBondContact O-CB 3.42Å; R108-A112 PolarHBondContact O-N 3.13Å; Y109-A112 PolarHBondContact O-N 3.34Å; H110-A112 VanDerWaalsContact C-N 3.35Å; H110-A112 PolarHBondContact O-N 3.46Å; A112-C116 PolarHBondContact O-N 3.25Å; A112-C116 VanDerWaalsContact O-N 3.13Å; A112-C116 PolarHBondContact O-SG 3.46Å; A112-C116 VanDerWaalsContact O-SG 3.36Å; A112-L123 HydrophobicContact CB-CD2 4.21Å
113	S	98.2	Very high	96.7	Very high	14 Å²	14	60.5 Å²	60.5	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-49.1	173.2	-177.8	0	0	0	0	111.7	Y109 H110 T111 D115 C116 N117 Q165	Y109-S113 PolarHBondContact O-N 3.01Å; H110-S113 WeakPolarHBondContact O-CB 3.4Å; H110-S113 PolarHBondContact O-N 3.49Å; T111-S113 VanDerWaalsContact C-N 3.32Å; T111-S113 PolarHBondContact O-N 2.9Å; S113-D115 VanDerWaalsContact C-N 3.31Å; S113-D115 PolarHBondContact O-N 2.97Å; S113-C116 PolarHBondContact O-N 2.77Å; S113-N117 WeakPolarHBondContact O-CB 3.13Å; S113-N117 PolarHBondContact O-N 3.46Å; S113-N117 PolarHBondContact O-ND2 3.16Å; S113-N117 PolarHBondContact OG-ND2 3.26Å; S113-Q165 PolarHBondContact OG-OE1 3.05Å
114	E	98.2	Very high	96.7	Very high	127 Å²	127	58.9 Å²	58.9	59%	0.593	32%	0.321	S	S	*	.	H	α-helix	trans	-57.6	-42.4	176.1	-73.8	171.1	-177.5	0	0	112.2	H110 T111 N117 S118	H110-E114 WeakPolarHBondContact O-CG 3.4Å; H110-E114 PolarHBondContact O-N 2.9Å; T111-E114 PolarHBondContact O-N 3.36Å; E114-N117 PolarHBondContact O-N 2.83Å; E114-S118 WeakPolarHBondContact O-CB 3.2Å; E114-S118 PolarHBondContact O-N 3.02Å
115	D	97.5	Very high	96.8	Very high	48 Å²	48	56 Å²	56	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-46.3	176.9	-73	-27.5	0	0	0	111.7	K107 T111 S113 N117 S118 L119	K107-D115 WeakPolarHBondContact CD-OD2 3.28Å; K107-D115 VanDerWaalsContact CE-OD2 3.3Å; K107-D115 WeakPolarHBondContact CE-OD2 3.23Å; K107-D115 IonicContact NZ-OD2 3.68Å; K107-D115 PolarHBondContact NZ-OD2 3.38Å; T111-D115 VanDerWaalsContact O-CG 3.27Å; T111-D115 PolarHBondContact O-N 3.06Å; S113-D115 VanDerWaalsContact C-N 3.31Å; S113-D115 PolarHBondContact O-N 2.97Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.28Å; D115-S118 PolarHBondContact O-N 3.06Å; D115-S118 PolarHBondContact O-OG 2.87Å; D115-L119 WeakPolarHBondContact O-CG 3.02Å; D115-L119 PolarHBondContact O-N 2.83Å
116	C	96.9	Very high	96.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-41.6	175.6	-66.5	0	0	0	0	112.3	A112 S113 S118 L119 G120 G121 C216	A112-C116 PolarHBondContact O-N 3.25Å; A112-C116 VanDerWaalsContact O-N 3.13Å; A112-C116 PolarHBondContact O-SG 3.46Å; A112-C116 VanDerWaalsContact O-SG 3.36Å; S113-C116 PolarHBondContact O-N 2.77Å; C116-S118 VanDerWaalsContact C-N 3.31Å; C116-S118 PolarHBondContact O-N 2.89Å; C116-L119 PolarHBondContact O-N 2.85Å; C116-L119 VanDerWaalsContact O-N 3.16Å; C116-G120 PolarHBondContact O-N 2.92Å; C116-G121 CarbonylContact C-O 3.39Å; C116-G121 CarbonylContact O-C 3.37Å; C116-G121 PolarHBondContact O-N 2.93Å; C116-G121 VanDerWaalsContact O-O 3.11Å; C116-C216 WeakPolarHBondContact CA-SG 3.42Å; C116-C216 HydrophobicContact CB-CB 3.68Å; C116-C216 WeakPolarHBondContact CB-SG 3.35Å; C116-C216 WeakPolarHBondContact SG-CA 3.43Å; C116-C216 WeakPolarHBondContact SG-CB 3.43Å; C116-C216 CovalentContact SG-SG 2.04Å; C116-C216 PolarHBondContact SG-SG 3.08Å
117	N	96.3	Very high	96.7	Very high	80 Å²	80	47 Å²	47	43%	0.428	27%	0.267	S	S	.	.	H	α-helix	trans	-61.5	-39.5	176	-67.5	-33.7	0	0	0	111.7	S113 E114 D115 L119 G120 G121	S113-N117 WeakPolarHBondContact O-CB 3.13Å; S113-N117 PolarHBondContact O-N 3.46Å; S113-N117 PolarHBondContact O-ND2 3.16Å; S113-N117 PolarHBondContact OG-ND2 3.26Å; E114-N117 PolarHBondContact O-N 2.83Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.28Å; N117-L119 PolarHBondContact O-N 2.84Å; N117-G120 PolarHBondContact O-N 2.01Å; N117-G121 VanDerWaalsContact CA-O 3.28Å; N117-G121 WeakPolarHBondContact CA-O 3.39Å; N117-G121 PolarHBondContact N-O 2.83Å; N117-G121 PolarHBondContact OD1-O 3.16Å
118	S	94.7	Very high	96.6	Very high	93 Å²	93	46.8 Å²	46.8	65%	0.65	27%	0.27	S	S	*	.	H	α-helix	trans	-64.6	-25.9	177.9	80.9	0	0	0	0	113.2	E114 D115 C116 G120	E114-S118 WeakPolarHBondContact O-CB 3.2Å; E114-S118 PolarHBondContact O-N 3.02Å; D115-S118 PolarHBondContact O-N 3.06Å; D115-S118 PolarHBondContact O-OG 2.87Å; C116-S118 VanDerWaalsContact C-N 3.31Å; C116-S118 PolarHBondContact O-N 2.89Å; S118-G120 VanDerWaalsContact C-N 3.3Å
119	L	90.9	Very high	96.6	Very high	99 Å²	99	43.4 Å²	43.4	52%	0.518	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.9	175.6	-63.6	174.5	0	0	0	112.8	L101 D115 C116 N117 F218	L101-L119 HydrophobicContact CD2-CD1 4.31Å; D115-L119 WeakPolarHBondContact O-CG 3.02Å; D115-L119 PolarHBondContact O-N 2.83Å; C116-L119 PolarHBondContact O-N 2.85Å; C116-L119 VanDerWaalsContact O-N 3.16Å; N117-L119 PolarHBondContact O-N 2.84Å; L119-F218 HydrophobicContact CB-CE1 3.88Å; L119-F218 HydrophobicContact CB-CZ 3.82Å; L119-F218 HydrophobicContact CD1-CZ 4.4Å; L119-F218 WeakPolarHBondContact O-CE1 3.18Å
120	G	90.6	Very high	96.4	Very high	68 Å²	68	48.2 Å²	48.2	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	18	-174.3	0	0	0	0	0	114	C116 N117 S118	C116-G120 PolarHBondContact O-N 2.92Å; N117-G120 PolarHBondContact O-N 2.01Å; S118-G120 VanDerWaalsContact C-N 3.3Å
121	G	93.4	Very high	96.4	Very high	8 Å²	8	43.9 Å²	43.9	8%	0.082	27%	0.27	C	S	.	.			trans	-118.3	-164.1	173.2	0	0	0	0	0	111.1	C116 N117 E217 F218	C116-G121 CarbonylContact C-O 3.39Å; C116-G121 CarbonylContact O-C 3.37Å; C116-G121 PolarHBondContact O-N 2.93Å; C116-G121 VanDerWaalsContact O-O 3.11Å; N117-G121 VanDerWaalsContact CA-O 3.28Å; N117-G121 WeakPolarHBondContact CA-O 3.39Å; N117-G121 PolarHBondContact N-O 2.83Å; N117-G121 PolarHBondContact OD1-O 3.16Å; G121-E217 CarbonylContact C-O 3.59Å; G121-E217 VanDerWaalsContact CA-O 3.23Å; G121-E217 WeakPolarHBondContact CA-O 3.04Å; G121-F218 VanDerWaalsContact CA-CD1 3.45Å; G121-F218 VanDerWaalsContact CA-CE1 3.44Å; G121-F218 VanDerWaalsContact N-CE1 3.27Å
122	V	97.1	Very high	96.4	Very high	38 Å²	38	41.1 Å²	41.1	23%	0.23	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	169.1	173.1	-62.5	0	0	0	0	109.2	A124 Q165 C216 E217	V122-A124 PolarHBondContact O-N 3.47Å; V122-Q165 HydrophobicContact CB-CB 4.11Å; V122-Q165 HydrophobicContact CB-CG 4.08Å; V122-Q165 HydrophobicContact CG1-CB 4.4Å; V122-C216 CarbonylContact O-C 3.48Å; V122-C216 VanDerWaalsContact O-CA 3.25Å; V122-C216 WeakPolarHBondContact O-CA 3.43Å; V122-E217 HydrophobicContact CG2-CG 3.52Å; V122-E217 PolarHBondContact N-O 2.74Å; V122-E217 PolarHBondContact O-N 3.44Å
123	L	98.1	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	138	170.6	-81.4	170.7	0	0	0	110.8	Y109 A112 T125 W150 G152 Q165	Y109-L123 HydrophobicContact CD2-CD1 4.25Å; Y109-L123 HydrophobicContact CE1-CD1 4.46Å; Y109-L123 HydrophobicContact CE2-CD1 3.97Å; A112-L123 HydrophobicContact CB-CD2 4.21Å; L123-T125 PolarHBondContact O-N 2.97Å; L123-W150 HydrophobicContact CD2-CB 4.36Å; L123-G152 WeakPolarHBondContact O-CA 3.43Å; L123-Q165 HydrophobicContact CB-CG 4.16Å
124	A	97.6	Very high	96.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.279	C	S	.	.			trans	-65.5	129.1	-171.6	0	0	0	0	0	113.2	F100 V122 L135 L151 G152 V215 E217	F100-A124 HydrophobicContact CD1-CB 3.75Å; F100-A124 HydrophobicContact CE1-CB 3.8Å; V122-A124 PolarHBondContact O-N 3.47Å; A124-L135 HydrophobicContact CB-CD2 4.17Å; A124-L151 CarbonylContact O-C 3.51Å; A124-L151 WeakPolarHBondContact O-CA 3.47Å; A124-G152 PolarHBondContact O-N 2.95Å; A124-V215 HydrophobicContact CB-CB 4.34Å; A124-V215 HydrophobicContact CB-CG1 3.62Å; A124-V215 HydrophobicContact CB-CG2 4.16Å; A124-V215 WeakPolarHBondContact CB-O 3.49Å; A124-V215 PolarHBondContact N-O 2.87Å; A124-E217 HydrophobicContact CB-CB 4.03Å
125	T	97.5	Very high	96.2	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.08	25%	0.25	C	S	.	.			trans	-120.1	97.6	176.7	-55.7	0	0	0	0	109.6	K98 L123 S127 G152 V153 D164 I170 E217	K98-T125 PolarHBondContact NZ-O 2.96Å; L123-T125 PolarHBondContact O-N 2.97Å; T125-S127 PolarHBondContact O-N 3.01Å; T125-G152 WeakPolarHBondContact OG1-CA 3.25Å; T125-G152 PolarHBondContact OG1-O 3.12Å; T125-V153 HydrophobicContact CG2-CG1 3.65Å; T125-D164 HydrophobicContact CG2-CB 4.11Å; T125-I170 HydrophobicContact CG2-CG2 4.14Å; T125-E217 VanDerWaalsContact N-CD 3.33Å; T125-E217 PolarHBondContact N-OE1 2.85Å; T125-E217 PolarHBondContact N-OE2 3.4Å
126	P	96.8	Very high	96.2	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	25%	0.247	C	C	.	.			trans	-60	129	179.3	-19.5	30	0	0	0	110.7	E131 N132 L135 L151 Y172 W203	P126-E131 HydrophobicContact CB-CG 4.45Å; P126-N132 HydrophobicContact CB-CB 4.03Å; P126-L135 HydrophobicContact CG-CD2 3.7Å; P126-L151 HydrophobicContact CG-CD2 4.13Å; P126-Y172 HydrophobicContact CB-CD1 4.39Å; P126-Y172 HydrophobicContact CB-CE1 4.47Å; P126-Y172 WeakPolarHBondContact O-CD1 3.23Å; P126-W203 HydrophobicContact CB-CZ2 4.01Å; P126-W203 HydrophobicContact CG-CZ2 3.89Å
127	S	95.7	Very high	96.2	Very high	64 Å²	64	44.4 Å²	44.4	45%	0.448	26%	0.263	S	S	.	.			trans	-102	-2.9	-176.9	71.1	0	0	0	0	113.9	T125 E131 Y172	T125-S127 PolarHBondContact O-N 3.01Å; S127-E131 WeakPolarHBondContact CB-OE2 3.23Å; S127-E131 PolarHBondContact N-OE2 3.45Å; S127-E131 PolarHBondContact OG-OE2 2.81Å; S127-Y172 WeakPolarHBondContact O-CB 3.38Å
128	S	97.2	Very high	96.2	Very high	37 Å²	37	41.5 Å²	41.5	26%	0.259	25%	0.246	S	C	.	.	S	Bend	trans	-155.7	165.1	-179.7	66.3	0	0	0	0	111.5	E130 E131 N132	S128-E130 VanDerWaalsContact C-N 3.34Å; S128-E130 PolarHBondContact O-N 2.03Å; S128-E131 PolarHBondContact O-N 2.88Å; S128-E131 VanDerWaalsContact OG-CB 3.28Å; S128-E131 WeakPolarHBondContact OG-CB 3.41Å; S128-E131 PolarHBondContact OG-N 2.82Å; S128-N132 WeakPolarHBondContact O-CB 3.04Å; S128-N132 PolarHBondContact O-N 3.16Å
129	S	97.1	Very high	96.3	Very high	62 Å²	62	37.1 Å²	37.1	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-40.6	175.4	-163.9	0	0	0	0	112.5	E131 N132 D133 Y172	S129-E131 VanDerWaalsContact C-N 3.35Å; S129-E131 PolarHBondContact O-N 2.91Å; S129-N132 PolarHBondContact O-N 3.31Å; S129-D133 PolarHBondContact O-N 3.49Å; S129-Y172 WeakPolarHBondContact CA-OH 3.32Å
130	E	96.4	Very high	96.6	Very high	104 Å²	104	36.2 Å²	36.2	49%	0.486	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-43.5	178.3	-172.6	-169.5	159.3	0	0	111.3	H96 S128 D133 R134	H96-E130 IonicContact CE1-OE1 3.67Å; H96-E130 IonicContact CE1-OE2 3.76Å; S128-E130 VanDerWaalsContact C-N 3.34Å; S128-E130 PolarHBondContact O-N 2.03Å; E130-D133 PolarHBondContact O-N 2.8Å; E130-R134 WeakPolarHBondContact O-CB 3.25Å; E130-R134 WeakPolarHBondContact O-CG 3.38Å; E130-R134 PolarHBondContact O-N 3.16Å
131	E	97.1	Very high	96.8	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.033	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-43.3	175.9	-173.2	-179.8	160.2	0	0	111.3	I95 K98 F100 P126 S127 S128 S129 L135	I95-E131 HydrophobicContact CD1-CG 4.46Å; I95-E131 HydrophobicContact CG2-CB 4.39Å; I95-E131 HydrophobicContact CG2-CG 4.27Å; K98-E131 WeakPolarHBondContact CD-OE1 3.36Å; K98-E131 IonicContact NZ-OE1 3.92Å; K98-E131 PolarHBondContact NZ-OE1 2.65Å; F100-E131 HydrophobicContact CZ-CG 4.07Å; F100-E131 WeakPolarHBondContact CZ-OE1 3.5Å; P126-E131 HydrophobicContact CB-CG 4.45Å; S127-E131 WeakPolarHBondContact CB-OE2 3.23Å; S127-E131 PolarHBondContact N-OE2 3.45Å; S127-E131 PolarHBondContact OG-OE2 2.81Å; S128-E131 PolarHBondContact O-N 2.88Å; S128-E131 VanDerWaalsContact OG-CB 3.28Å; S128-E131 WeakPolarHBondContact OG-CB 3.41Å; S128-E131 PolarHBondContact OG-N 2.82Å; S129-E131 VanDerWaalsContact C-N 3.35Å; S129-E131 PolarHBondContact O-N 2.91Å; E131-L135 WeakPolarHBondContact O-CB 3.37Å; E131-L135 PolarHBondContact O-N 2.98Å
132	N	98.1	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-46.6	176.5	-175.4	87.5	0	0	0	112.5	P126 S128 S129 L135 R136 Y172 N174 M196 G201 W203	P126-N132 HydrophobicContact CB-CB 4.03Å; S128-N132 WeakPolarHBondContact O-CB 3.04Å; S128-N132 PolarHBondContact O-N 3.16Å; S129-N132 PolarHBondContact O-N 3.31Å; N132-L135 PolarHBondContact O-N 3.32Å; N132-R136 WeakPolarHBondContact O-CB 3.44Å; N132-R136 PolarHBondContact O-N 3.11Å; N132-Y172 HydrophobicContact CB-CE1 3.81Å; N132-N174 PolarHBondContact ND2-ND2 3.45Å; N132-N174 VanDerWaalsContact ND2-ND2 3.16Å; N132-M196 PolarHBondContact OD1-SD 3.25Å; N132-G201 PolarHBondContact ND2-O 3.05Å; N132-W203 PolarHBondContact OD1-NE1 3.24Å
133	D	97.5	Very high	96.7	Very high	59 Å²	59	43.7 Å²	43.7	32%	0.316	23%	0.227	S	C	.	.	H	α-helix	trans	-67.5	-44.4	-177.8	-71.2	-32.6	0	0	0	111.9	S129 E130 R136 D137	S129-D133 PolarHBondContact O-N 3.49Å; E130-D133 PolarHBondContact O-N 2.8Å; D133-R136 WeakPolarHBondContact O-CB 3.42Å; D133-R136 PolarHBondContact O-N 3.25Å; D133-R136 IonicContact OD1-NH1 2.88Å; D133-R136 PolarHBondContact OD1-NH1 2.99Å; D133-D137 PolarHBondContact O-N 3.25Å
134	R	97.1	Very high	96.4	Very high	86 Å²	86	44.7 Å²	44.7	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-40.6	175.5	-73.6	-172.1	65.9	-166.2	-5.1	112.1	E93 K94 I95 E130 D137 Y138	E93-R134 IonicContact OE1-CZ 2.65Å; E93-R134 IonicContact OE1-NE 2.82Å; E93-R134 IonicContact OE1-NH2 3.25Å; E93-R134 PolarHBondContact OE1-NH2 2.88Å; K94-R134 PolarHBondContact O-NH2 3.35Å; I95-R134 HydrophobicContact CD1-CB 3.62Å; I95-R134 HydrophobicContact CG1-CB 4.2Å; E130-R134 WeakPolarHBondContact O-CB 3.25Å; E130-R134 WeakPolarHBondContact O-CG 3.38Å; E130-R134 PolarHBondContact O-N 3.16Å; R134-D137 PolarHBondContact O-N 2.81Å; R134-Y138 WeakPolarHBondContact O-CB 3.37Å; R134-Y138 PolarHBondContact O-N 2.97Å
135	L	97.3	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-45.7	176.2	-176.3	64.7	0	0	0	110.9	I95 F100 A124 P126 E131 N132 D137 Y138 I139 L151 M196 V215	I95-L135 HydrophobicContact CD1-CB 4.34Å; F100-L135 HydrophobicContact CB-CD1 3.83Å; F100-L135 HydrophobicContact CD1-CD1 3.47Å; F100-L135 VanDerWaalsContact CD1-CD1 3.47Å; F100-L135 HydrophobicContact CD1-CD2 4.49Å; F100-L135 HydrophobicContact CD2-CD1 4.4Å; F100-L135 HydrophobicContact CE1-CD1 4.12Å; F100-L135 HydrophobicContact CE1-CD2 4.46Å; F100-L135 HydrophobicContact CG-CD1 3.62Å; A124-L135 HydrophobicContact CB-CD2 4.17Å; P126-L135 HydrophobicContact CG-CD2 3.7Å; E131-L135 WeakPolarHBondContact O-CB 3.37Å; E131-L135 PolarHBondContact O-N 2.98Å; N132-L135 PolarHBondContact O-N 3.32Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 2.95Å; L135-Y138 HydrophobicContact CD1-CD1 4.35Å; L135-Y138 PolarHBondContact O-N 2.84Å; L135-I139 HydrophobicContact CD1-CD1 3.93Å; L135-I139 HydrophobicContact CD1-CG1 4.39Å; L135-I139 HydrophobicContact CD2-CD1 4.43Å; L135-I139 HydrophobicContact CG-CD1 3.72Å; L135-I139 WeakPolarHBondContact O-CD1 3.34Å; L135-I139 WeakPolarHBondContact O-CG1 3Å; L135-I139 PolarHBondContact O-N 3.02Å; L135-L151 HydrophobicContact CD2-CD2 4.43Å; L135-M196 HydrophobicContact CD2-CE 4.3Å; L135-M196 HydrophobicContact CG-CE 4.24Å; L135-V215 HydrophobicContact CD1-CG1 4.35Å; L135-V215 HydrophobicContact CD1-CG2 3.79Å; L135-V215 HydrophobicContact CD2-CG1 4.34Å
136	R	97.4	Very high	95.8	Very high	50 Å²	50	52.8 Å²	52.8	19%	0.189	28%	0.284	C	S	.	.	H	α-helix	trans	-54.7	-50.6	173.8	178.5	-146.4	61.9	-134.1	4.6	110.8	N132 D133 Y138 I139 R140 M196	N132-R136 WeakPolarHBondContact O-CB 3.44Å; N132-R136 PolarHBondContact O-N 3.11Å; D133-R136 WeakPolarHBondContact O-CB 3.42Å; D133-R136 PolarHBondContact O-N 3.25Å; D133-R136 IonicContact OD1-NH1 2.88Å; D133-R136 PolarHBondContact OD1-NH1 2.99Å; R136-Y138 PolarHBondContact O-N 2.87Å; R136-I139 PolarHBondContact O-N 3.16Å; R136-R140 HydrophobicContact CG-CG 4.32Å; R136-R140 WeakPolarHBondContact O-CB 3.44Å; R136-R140 VanDerWaalsContact O-CG 3.27Å; R136-R140 WeakPolarHBondContact O-CG 3.49Å; R136-R140 PolarHBondContact O-N 2.82Å; R136-M196 HydrophobicContact CB-CE 4.11Å; R136-M196 HydrophobicContact CB-SD 4.14Å
137	D	96.6	Very high	95.7	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-41.6	-176.8	-74.7	-22.2	0	0	0	113.3	D133 R134 L135 R140 Q141	D133-D137 PolarHBondContact O-N 3.25Å; R134-D137 PolarHBondContact O-N 2.81Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 2.95Å; D137-R140 PolarHBondContact O-N 2.97Å; D137-Q141 VanDerWaalsContact O-CG 3.3Å; D137-Q141 WeakPolarHBondContact O-CG 3.34Å; D137-Q141 PolarHBondContact O-N 2.98Å; D137-Q141 VanDerWaalsContact O-N 3.11Å; D137-Q141 PolarHBondContact O-NE2 3.22Å
138	Y	96.2	Very high	95.8	Very high	19 Å²	19	53.8 Å²	53.8	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-45.5	173.9	162.9	-117	0	0	0	112	G92 E93 F100 L101 A102 R134 L135 R136 Q141 S142 V215	G92-Y138 WeakPolarHBondContact CA-OH 3.32Å; E93-Y138 HydrophobicContact CB-CD1 3.82Å; E93-Y138 HydrophobicContact CB-CD2 3.61Å; E93-Y138 HydrophobicContact CB-CE1 4.22Å; E93-Y138 HydrophobicContact CB-CE2 4.05Å; E93-Y138 HydrophobicContact CB-CG 3.47Å; E93-Y138 VanDerWaalsContact CB-CG 3.47Å; E93-Y138 HydrophobicContact CG-CG 4.22Å; F100-Y138 HydrophobicContact CB-CD1 4.3Å; F100-Y138 HydrophobicContact CB-CE1 4.05Å; F100-Y138 WeakPolarHBondContact O-CE1 3.43Å; F100-Y138 PolarHBondContact O-OH 2.95Å; F100-Y138 VanDerWaalsContact O-OH 3.06Å; L101-Y138 WeakPolarHBondContact CA-OH 3.37Å; A102-Y138 HydrophobicContact CB-CE1 3.98Å; A102-Y138 PolarHBondContact N-OH 2.89Å; R134-Y138 WeakPolarHBondContact O-CB 3.37Å; R134-Y138 PolarHBondContact O-N 2.97Å; L135-Y138 HydrophobicContact CD1-CD1 4.35Å; L135-Y138 PolarHBondContact O-N 2.84Å; R136-Y138 PolarHBondContact O-N 2.87Å; Y138-Q141 PolarHBondContact O-N 3.42Å; Y138-S142 WeakPolarHBondContact CD2-OG 3.35Å; Y138-S142 WeakPolarHBondContact CE2-OG 3.27Å; Y138-S142 WeakPolarHBondContact O-CB 3.35Å; Y138-S142 PolarHBondContact O-N 2.82Å; Y138-S142 PolarHBondContact O-OG 3.02Å; Y138-V215 HydrophobicContact CE1-CG2 4.44Å
139	I	96.9	Very high	95.8	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-38.1	-179.8	-63	164.5	0	0	0	110.6	L135 R136 Q141 S142 V143 G144 V149 M196 L198 V215	L135-I139 HydrophobicContact CD1-CD1 3.93Å; L135-I139 HydrophobicContact CD1-CG1 4.39Å; L135-I139 HydrophobicContact CD2-CD1 4.43Å; L135-I139 HydrophobicContact CG-CD1 3.72Å; L135-I139 WeakPolarHBondContact O-CD1 3.34Å; L135-I139 WeakPolarHBondContact O-CG1 3Å; L135-I139 PolarHBondContact O-N 3.02Å; R136-I139 PolarHBondContact O-N 3.16Å; I139-Q141 PolarHBondContact O-N 3.28Å; I139-S142 PolarHBondContact O-N 2.88Å; I139-S142 VanDerWaalsContact O-N 3.16Å; I139-V143 HydrophobicContact CG2-CB 4.15Å; I139-V143 HydrophobicContact CG2-CG2 3.91Å; I139-V143 WeakPolarHBondContact O-CB 3.08Å; I139-V143 PolarHBondContact O-N 3.2Å; I139-G144 PolarHBondContact O-N 3.39Å; I139-V149 HydrophobicContact CD1-CG1 3.86Å; I139-V149 HydrophobicContact CD1-CG2 4.2Å; I139-V149 HydrophobicContact CG2-CB 4.34Å; I139-V149 HydrophobicContact CG2-CG1 4.46Å; I139-V149 HydrophobicContact CG2-CG2 4.3Å; I139-M196 HydrophobicContact CD1-CE 3.87Å; I139-L198 HydrophobicContact CB-CD2 3.96Å; I139-L198 HydrophobicContact CG2-CD1 3.9Å; I139-L198 HydrophobicContact CG2-CD2 3.56Å; I139-L198 HydrophobicContact CG2-CG 4.4Å; I139-V215 HydrophobicContact CD1-CB 3.91Å; I139-V215 HydrophobicContact CD1-CG1 3.58Å; I139-V215 HydrophobicContact CD1-CG2 4.29Å; I139-V215 HydrophobicContact CG1-CB 4.36Å; I139-V215 HydrophobicContact CG1-CG2 4.5Å
140	R	96.7	Very high	95.9	Very high	81 Å²	81	49.1 Å²	49.1	31%	0.306	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-38.3	174.2	-73.9	174	68.3	80.2	7.8	112.3	R136 D137 G144 P145 L198	R136-R140 HydrophobicContact CG-CG 4.32Å; R136-R140 WeakPolarHBondContact O-CB 3.44Å; R136-R140 VanDerWaalsContact O-CG 3.27Å; R136-R140 WeakPolarHBondContact O-CG 3.49Å; R136-R140 PolarHBondContact O-N 2.82Å; D137-R140 PolarHBondContact O-N 2.97Å; R140-G144 WeakPolarHBondContact CA-O 3.13Å; R140-G144 CarbonylContact O-C 3.47Å; R140-G144 VanDerWaalsContact O-C 3.26Å; R140-G144 VanDerWaalsContact O-CA 3.27Å; R140-G144 WeakPolarHBondContact O-CA 3.47Å; R140-G144 PolarHBondContact O-N 3.25Å; R140-P145 PolarHBondContact NH1-O 2.8Å; R140-P145 VanDerWaalsContact NH2-CB 3.29Å; R140-L198 VanDerWaalsContact CD-O 3.31Å; R140-L198 WeakPolarHBondContact CD-O 3.28Å; R140-L198 HydrophobicContact CG-CB 4.14Å; R140-L198 PolarHBondContact NH1-O 2.79Å
141	Q	94.5	Very high	96	Very high	162 Å²	162	44.1 Å²	44.1	76%	0.757	24%	0.237	S	C	*	.	H	α-helix	trans	-74.2	-34.8	177.2	-68.9	169.2	43.3	0	0	112.5	D137 Y138 I139	D137-Q141 VanDerWaalsContact O-CG 3.3Å; D137-Q141 WeakPolarHBondContact O-CG 3.34Å; D137-Q141 PolarHBondContact O-N 2.98Å; D137-Q141 VanDerWaalsContact O-N 3.11Å; D137-Q141 PolarHBondContact O-NE2 3.22Å; Y138-Q141 PolarHBondContact O-N 3.42Å; I139-Q141 PolarHBondContact O-N 3.28Å
142	S	93.8	Very high	96	Very high	59 Å²	59	43.8 Å²	43.8	41%	0.413	24%	0.235	S	C	.	.	H	α-helix	trans	-88.2	-37	-172.9	-55.8	0	0	0	0	113.9	Y138 I139	Y138-S142 WeakPolarHBondContact CD2-OG 3.35Å; Y138-S142 WeakPolarHBondContact CE2-OG 3.27Å; Y138-S142 WeakPolarHBondContact O-CB 3.35Å; Y138-S142 PolarHBondContact O-N 2.82Å; Y138-S142 PolarHBondContact O-OG 3.02Å; I139-S142 PolarHBondContact O-N 2.88Å; I139-S142 VanDerWaalsContact O-N 3.16Å
143	V	94.5	Very high	96	Very high	49 Å²	49	43.8 Å²	43.8	30%	0.297	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-37.1	-172.8	-175.8	0	0	0	0	111.5	A102 P104 I139 P213	A102-V143 HydrophobicContact CB-CG2 3.97Å; P104-V143 HydrophobicContact CB-CG1 4.26Å; P104-V143 HydrophobicContact CB-CG2 4.17Å; I139-V143 HydrophobicContact CG2-CB 4.15Å; I139-V143 HydrophobicContact CG2-CG2 3.91Å; I139-V143 WeakPolarHBondContact O-CB 3.08Å; I139-V143 PolarHBondContact O-N 3.2Å; V143-P213 HydrophobicContact CG1-CB 3.85Å; V143-P213 HydrophobicContact CG1-CG 3.94Å
144	G	93.2	Very high	96.1	Very high	22 Å²	22	41.9 Å²	41.9	23%	0.227	23%	0.225	C	C	.	.			trans	135.6	162.6	-179.2	0	0	0	0	0	112.8	I139 R140 D146 L198	I139-G144 PolarHBondContact O-N 3.39Å; R140-G144 WeakPolarHBondContact CA-O 3.13Å; R140-G144 CarbonylContact O-C 3.47Å; R140-G144 VanDerWaalsContact O-C 3.26Å; R140-G144 VanDerWaalsContact O-CA 3.27Å; R140-G144 WeakPolarHBondContact O-CA 3.47Å; R140-G144 PolarHBondContact O-N 3.25Å; G144-D146 VanDerWaalsContact C-N 3.28Å; G144-D146 PolarHBondContact O-N 2.87Å; G144-L198 WeakPolarHBondContact O-CD1 3.46Å
145	P	91.2	Very high	96.1	Very high	61 Å²	61	38 Å²	38	40%	0.396	21%	0.21	S	C	.	.	S	Bend	trans	-75.8	-12.5	-169.9	30.6	-36	0	0	0	114.8	R140	R140-P145 PolarHBondContact NH1-O 2.8Å; R140-P145 VanDerWaalsContact NH2-CB 3.29Å
146	D	90	Very high	96.1	Very high	122 Å²	122	41.3 Å²	41.3	65%	0.652	23%	0.227	S	C	*	.	S	Bend	trans	-121.4	155.6	-167	-58.5	-43	0	0	0	112.2	G144	G144-D146 VanDerWaalsContact C-N 3.28Å; G144-D146 PolarHBondContact O-N 2.87Å
147	G	94.6	Very high	96	Very high	44 Å²	44	44.3 Å²	44.3	45%	0.454	25%	0.251	S	S	.	.	S	Bend	trans	92.8	-156.6	178.7	0	0	0	0	0	113.2	L198	G147-L198 PolarHBondContact O-N 2.81Å
148	Q	97.7	Very high	95.9	Very high	43 Å²	43	45 Å²	45	20%	0.201	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.7	-172.9	-67	167.9	-21.2	0	0	109.9	A195 M196 E206 K212 P213	Q148-A195 HydrophobicContact CB-CB 4.26Å; Q148-M196 CarbonylContact C-O 3.52Å; Q148-M196 WeakPolarHBondContact CA-O 3.42Å; Q148-E206 PolarHBondContact NE2-OE1 3.41Å; Q148-E206 PolarHBondContact OE1-OE1 3.28Å; Q148-K212 HydrophobicContact CB-CD 3.98Å; Q148-P213 VanDerWaalsContact O-CD 3.23Å; Q148-P213 WeakPolarHBondContact O-CD 3.45Å; Q148-P213 VanDerWaalsContact O-CG 3.31Å; Q148-P213 WeakPolarHBondContact O-CG 3.18Å
149	V	98.4	Very high	96	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.3	178.1	65.1	0	0	0	0	110	I139 A195 M196 L198 P213 V215	I139-V149 HydrophobicContact CD1-CG1 3.86Å; I139-V149 HydrophobicContact CD1-CG2 4.2Å; I139-V149 HydrophobicContact CG2-CB 4.34Å; I139-V149 HydrophobicContact CG2-CG1 4.46Å; I139-V149 HydrophobicContact CG2-CG2 4.3Å; V149-A195 CarbonylContact O-C 3.44Å; V149-A195 WeakPolarHBondContact O-CA 3.31Å; V149-A195 WeakPolarHBondContact O-CB 3.21Å; V149-M196 HydrophobicContact CG1-CB 3.92Å; V149-M196 HydrophobicContact CG1-CE 3.84Å; V149-M196 PolarHBondContact N-O 3.38Å; V149-M196 PolarHBondContact O-N 3.24Å; V149-L198 HydrophobicContact CB-CD2 4.38Å; V149-L198 HydrophobicContact CG1-CD2 3.89Å; V149-P213 CarbonylContact C-O 3.57Å; V149-P213 WeakPolarHBondContact CA-O 3.47Å; V149-P213 HydrophobicContact CB-CG 4.35Å; V149-P213 HydrophobicContact CG2-CB 4.5Å; V149-P213 HydrophobicContact CG2-CG 4.37Å; V149-P213 WeakPolarHBondContact CG2-O 3.33Å; V149-V215 HydrophobicContact CG2-CB 4.48Å; V149-V215 HydrophobicContact CG2-CG1 4.08Å
150	W	98.7	Very high	95.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.4	174.5	-69.8	128.8	0	0	0	111.8	K107 Y109 L123 C193 A195 E206 E210 K212 P213	K107-W150 PolarHBondContact O-NE1 3.23Å; Y109-W150 AromaticContact CD2-CD2 3.97Å; Y109-W150 HydrophobicContact CD2-CD2 3.97Å; Y109-W150 AromaticContact CD2-CE3 3.76Å; Y109-W150 HydrophobicContact CD2-CE3 3.76Å; Y109-W150 HydrophobicContact CD2-CG 4.31Å; Y109-W150 HydrophobicContact CD2-CZ3 4.31Å; L123-W150 HydrophobicContact CD2-CB 4.36Å; W150-C193 HydrophobicContact CE3-CB 4.36Å; W150-C193 HydrophobicContact CH2-CB 4.32Å; W150-C193 HydrophobicContact CZ3-CB 3.76Å; W150-A195 HydrophobicContact CE3-CB 3.99Å; W150-A195 HydrophobicContact CZ3-CB 4.08Å; W150-E206 HydrophobicContact CH2-CB 3.87Å; W150-E206 HydrophobicContact CZ3-CB 3.79Å; W150-E210 HydrophobicContact CH2-CB 4.34Å; W150-E210 HydrophobicContact CZ2-CB 4.15Å; W150-E210 WeakPolarHBondContact CZ2-O 3.16Å; W150-K212 HydrophobicContact CD2-CB 4.13Å; W150-K212 HydrophobicContact CD2-CD 4.05Å; W150-K212 HydrophobicContact CD2-CG 4.38Å; W150-K212 HydrophobicContact CE3-CD 4.11Å; W150-K212 HydrophobicContact CG-CB 4.2Å; W150-K212 HydrophobicContact CH2-CD 3.77Å; W150-K212 HydrophobicContact CH2-CG 4.35Å; W150-K212 HydrophobicContact CZ2-CB 4.24Å; W150-K212 HydrophobicContact CZ2-CD 3.7Å; W150-K212 HydrophobicContact CZ2-CG 3.77Å; W150-K212 HydrophobicContact CZ3-CD 3.99Å; W150-P213 PolarHBondContact N-O 2.88Å
151	L	98.4	Very high	95.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	160.3	167.8	-64.9	-177.1	0	0	0	109.9	Y109 A124 P126 L135 V153 G194 M196 W203	Y109-L151 WeakPolarHBondContact CE2-O 3.41Å; A124-L151 CarbonylContact O-C 3.51Å; A124-L151 WeakPolarHBondContact O-CA 3.47Å; P126-L151 HydrophobicContact CG-CD2 4.13Å; L135-L151 HydrophobicContact CD2-CD2 4.43Å; L151-V153 HydrophobicContact CB-CG2 4.07Å; L151-V153 PolarHBondContact O-N 2.84Å; L151-G194 PolarHBondContact N-O 3.45Å; L151-M196 HydrophobicContact CD1-CB 3.99Å; L151-M196 HydrophobicContact CD2-CB 4.05Å; L151-M196 HydrophobicContact CG-CB 4Å; L151-W203 HydrophobicContact CD1-CD2 3.61Å; L151-W203 VanDerWaalsContact CD1-CE2 3.43Å; L151-W203 HydrophobicContact CD1-CE3 4.21Å; L151-W203 HydrophobicContact CD1-CG 3.85Å; L151-W203 HydrophobicContact CD1-CH2 4.46Å; L151-W203 HydrophobicContact CD1-CZ2 3.91Å
152	G	98.1	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	26	176.9	0	0	0	0	0	115	L123 A124 T125 D164 Q165	L123-G152 WeakPolarHBondContact O-CA 3.43Å; A124-G152 PolarHBondContact O-N 2.95Å; T125-G152 WeakPolarHBondContact OG1-CA 3.25Å; T125-G152 PolarHBondContact OG1-O 3.12Å; G152-D164 CarbonylContact O-C 3.26Å; G152-D164 WeakPolarHBondContact O-CA 3.17Å; G152-Q165 PolarHBondContact O-N 3.22Å; G152-Q165 PolarHBondContact O-NE2 2.91Å
153	V	98.1	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137	-175.5	-52.6	0	0	0	0	111.7	Y109 T125 L151 W162 M163 I170 W175 G194 W203	Y109-V153 PolarHBondContact OH-O 2.99Å; T125-V153 HydrophobicContact CG2-CG1 3.65Å; L151-V153 HydrophobicContact CB-CG2 4.07Å; L151-V153 PolarHBondContact O-N 2.84Å; V153-W162 HydrophobicContact CB-CE3 4.16Å; V153-W162 HydrophobicContact CG2-CE3 3.94Å; V153-W162 HydrophobicContact CG2-CZ3 4.11Å; V153-M163 VanDerWaalsContact CA-O 3.31Å; V153-M163 WeakPolarHBondContact CA-O 3.42Å; V153-I170 HydrophobicContact CB-CD1 4.29Å; V153-I170 HydrophobicContact CG1-CD1 4.1Å; V153-I170 HydrophobicContact CG1-CG2 3.86Å; V153-W175 HydrophobicContact CG2-CH2 4.49Å; V153-G194 PolarHBondContact O-N 2.76Å; V153-W203 HydrophobicContact CG1-CZ3 4.47Å
154	N	98.2	Very high	96.3	Very high	18 Å²	18	41.4 Å²	41.4	10%	0.096	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	159.5	179.9	65.9	101.5	0	0	0	111.5	Y109 M156 W162 M163 N192	Y109-N154 PolarHBondContact OH-ND2 3.44Å; N154-M156 HydrophobicContact CB-CE 3.49Å; N154-M156 VanDerWaalsContact CB-CE 3.49Å; N154-M156 HydrophobicContact CB-CG 4.31Å; N154-M156 WeakPolarHBondContact OD1-CE 3.2Å; N154-W162 WeakPolarHBondContact O-CA 3.35Å; N154-M163 PolarHBondContact N-O 2.76Å; N154-M163 PolarHBondContact O-N 2.81Å; N154-N192 WeakPolarHBondContact CA-O 3.49Å; N154-N192 WeakPolarHBondContact CB-O 3.3Å
155	D	97.9	Very high	96.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	25%	0.246	C	C	.	.			trans	-124.8	24	173	67.9	-25.2	0	0	0	112	T157 I158 E159 G160 Q161 W162 N192	D155-T157 PolarHBondContact O-N 2.61Å; D155-T157 VanDerWaalsContact O-N 3.09Å; D155-I158 CarbonylContact O-C 3.56Å; D155-I158 PolarHBondContact O-N 2.86Å; D155-I158 VanDerWaalsContact O-N 3.17Å; D155-E159 PolarHBondContact O-N 2.92Å; D155-G160 PolarHBondContact OD2-N 3.08Å; D155-Q161 WeakPolarHBondContact CA-O 3.35Å; D155-Q161 WeakPolarHBondContact CB-O 3.41Å; D155-W162 HydrophobicContact CB-CD2 4.11Å; D155-W162 HydrophobicContact CB-CG 4.26Å; D155-N192 PolarHBondContact N-O 3.38Å; D155-N192 WeakPolarHBondContact OD1-CA 3.31Å; D155-N192 WeakPolarHBondContact OD1-CB 3.27Å
156	M	96.4	Very high	96.4	Very high	70 Å²	70	44.9 Å²	44.9	35%	0.345	26%	0.258	S	S	.	.	S	Bend	trans	-54.5	-31.5	-178.8	-73.9	-176.3	-90.7	0	0	114.3	Y109 H110 N154 N192	Y109-M156 HydrophobicContact CD1-CE 3.92Å; Y109-M156 HydrophobicContact CE1-CE 3.47Å; Y109-M156 VanDerWaalsContact CE1-CE 3.47Å; H110-M156 PolarHBondContact CE1-SD 3.09Å; N154-M156 HydrophobicContact CB-CE 3.49Å; N154-M156 VanDerWaalsContact CB-CE 3.49Å; N154-M156 HydrophobicContact CB-CG 4.31Å; N154-M156 WeakPolarHBondContact OD1-CE 3.2Å; M156-N192 HydrophobicContact CB-CB 4.35Å; M156-N192 HydrophobicContact CG-CB 3.47Å; M156-N192 VanDerWaalsContact CG-CB 3.47Å
157	T	95.4	Very high	96.6	Very high	113 Å²	113	41.3 Å²	41.3	69%	0.693	25%	0.25	S	S	*	.	S	Bend	trans	-81.3	-41.4	-178.8	-50	0	0	0	0	111.9	D155	D155-T157 PolarHBondContact O-N 2.61Å; D155-T157 VanDerWaalsContact O-N 3.09Å
158	I	95.7	Very high	96.7	Very high	77 Å²	77	42.2 Å²	42.2	40%	0.395	25%	0.249	S	C	.	.	S	Bend	trans	-142.4	106.2	-177.9	-54.3	174.7	0	0	0	107.8	D155 G160 Q161	D155-I158 CarbonylContact O-C 3.56Å; D155-I158 PolarHBondContact O-N 2.86Å; D155-I158 VanDerWaalsContact O-N 3.17Å; I158-G160 PolarHBondContact O-N 2.99Å; I158-Q161 HydrophobicContact CB-CB 4.05Å; I158-Q161 HydrophobicContact CB-CG 4.24Å; I158-Q161 HydrophobicContact CG2-CB 4.14Å; I158-Q161 HydrophobicContact CG2-CG 3.78Å; I158-Q161 WeakPolarHBondContact O-CA 3.48Å; I158-Q161 WeakPolarHBondContact O-CB 3.46Å; I158-Q161 PolarHBondContact O-N 3.3Å
159	E	96.8	Very high	96.6	Very high	85 Å²	85	44 Å²	44	40%	0.397	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.8	124.5	175.9	-179.3	64	-154.2	0	0	112.5	D155 Q161 G188 K189	D155-E159 PolarHBondContact O-N 2.92Å; E159-Q161 VanDerWaalsContact C-N 3.26Å; E159-Q161 PolarHBondContact O-N 3.17Å; E159-G188 WeakPolarHBondContact OE1-CA 3.46Å; E159-K189 HydrophobicContact CG-CG 4.33Å; E159-K189 PolarHBondContact OE1-N 2.72Å; E159-K189 WeakPolarHBondContact OE2-CA 3.22Å; E159-K189 VanDerWaalsContact OE2-CG 3.25Å; E159-K189 WeakPolarHBondContact OE2-CG 3.48Å; E159-K189 PolarHBondContact OE2-N 2.88Å; E159-K189 VanDerWaalsContact OE2-N 3.12Å
160	G	95.1	Very high	96.5	Very high	48 Å²	48	45 Å²	45	50%	0.495	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-8.6	-179.4	0	0	0	0	0	115.2	D155 I158	D155-G160 PolarHBondContact OD2-N 3.08Å; I158-G160 PolarHBondContact O-N 2.99Å
161	Q	96.7	Very high	96.4	Very high	98 Å²	98	51.4 Å²	51.4	46%	0.458	31%	0.311	S	S	.	.			trans	-100	94.5	172.4	-61.6	-168.5	16.2	0	0	111.1	D155 I158 E159 M163	D155-Q161 WeakPolarHBondContact CA-O 3.35Å; D155-Q161 WeakPolarHBondContact CB-O 3.41Å; I158-Q161 HydrophobicContact CB-CB 4.05Å; I158-Q161 HydrophobicContact CB-CG 4.24Å; I158-Q161 HydrophobicContact CG2-CB 4.14Å; I158-Q161 HydrophobicContact CG2-CG 3.78Å; I158-Q161 WeakPolarHBondContact O-CA 3.48Å; I158-Q161 WeakPolarHBondContact O-CB 3.46Å; I158-Q161 PolarHBondContact O-N 3.3Å; E159-Q161 VanDerWaalsContact C-N 3.26Å; E159-Q161 PolarHBondContact O-N 3.17Å; Q161-M163 PolarHBondContact O-N 3.45Å
162	W	97.7	Very high	96.3	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.027	32%	0.318	C	S	.	.			trans	-75	122.7	178.5	-68.3	80.5	0	0	0	111.9	V153 N154 D155 I170 W175 P185 D205	V153-W162 HydrophobicContact CB-CE3 4.16Å; V153-W162 HydrophobicContact CG2-CE3 3.94Å; V153-W162 HydrophobicContact CG2-CZ3 4.11Å; N154-W162 WeakPolarHBondContact O-CA 3.35Å; D155-W162 HydrophobicContact CB-CD2 4.11Å; D155-W162 HydrophobicContact CB-CG 4.26Å; W162-I170 HydrophobicContact CB-CD1 3.59Å; W162-I170 HydrophobicContact CB-CG1 3.97Å; W162-I170 PolarHBondContact O-N 3.09Å; W162-I170 VanDerWaalsContact O-N 3.11Å; W162-W175 AromaticContact CD2-CH2 3.59Å; W162-W175 HydrophobicContact CD2-CH2 3.59Å; W162-W175 AromaticContact CD2-CZ2 3.35Å; W162-W175 HydrophobicContact CD2-CZ2 3.35Å; W162-W175 AromaticContact CE2-CH2 3.59Å; W162-W175 AromaticContact CE2-CZ2 3.52Å; W162-W175 AromaticContact CE3-CH2 3.55Å; W162-W175 HydrophobicContact CE3-CH2 3.55Å; W162-W175 AromaticContact CE3-CZ2 3.71Å; W162-W175 HydrophobicContact CE3-CZ2 3.71Å; W162-W175 HydrophobicContact CG-CH2 4.42Å; W162-W175 AromaticContact CG-CZ2 3.72Å; W162-W175 HydrophobicContact CG-CZ2 3.72Å; W162-W175 AromaticContact CH2-CH2 3.54Å; W162-W175 HydrophobicContact CH2-CH2 3.54Å; W162-W175 HydrophobicContact CH2-CZ2 4.31Å; W162-W175 HydrophobicContact CH2-CZ3 4.24Å; W162-W175 AromaticContact CZ2-CH2 3.58Å; W162-W175 HydrophobicContact CZ2-CH2 3.58Å; W162-W175 HydrophobicContact CZ2-CZ2 4.01Å; W162-W175 HydrophobicContact CZ2-CZ3 4.28Å; W162-W175 AromaticContact CZ3-CH2 3.53Å; W162-W175 HydrophobicContact CZ3-CH2 3.53Å; W162-W175 HydrophobicContact CZ3-CZ2 4.18Å; W162-W175 AromaticContact NE1-CZ2 3.95Å; W162-P185 HydrophobicContact CZ2-CB 3.77Å; W162-P185 HydrophobicContact CZ2-CG 4.3Å; W162-D205 HydrophobicContact CH2-CB 3.58Å; W162-D205 HydrophobicContact CZ2-CB 3.58Å
163	M	97.8	Very high	96.2	Very high	20 Å²	20	58.2 Å²	58.2	10%	0.099	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-123.9	154.4	-177.6	-68.5	177.6	-86.6	0	0	110.9	V153 N154 Q161 G167 S168	V153-M163 VanDerWaalsContact CA-O 3.31Å; V153-M163 WeakPolarHBondContact CA-O 3.42Å; N154-M163 PolarHBondContact N-O 2.76Å; N154-M163 PolarHBondContact O-N 2.81Å; Q161-M163 PolarHBondContact O-N 3.45Å; M163-G167 VanDerWaalsContact SD-O 3.39Å; M163-S168 CarbonylContact C-O 3.55Å; M163-S168 VanDerWaalsContact CA-O 3.22Å; M163-S168 WeakPolarHBondContact CA-O 3.36Å
164	D	96.8	Very high	96.2	Very high	37 Å²	37	59.2 Å²	59.2	20%	0.198	35%	0.345	C	S	.	.			trans	-77.7	-178.5	171.1	67.8	19.8	0	0	0	112	T125 G152 T166 G167 S168 I170	T125-D164 HydrophobicContact CG2-CB 4.11Å; G152-D164 CarbonylContact O-C 3.26Å; G152-D164 WeakPolarHBondContact O-CA 3.17Å; D164-T166 VanDerWaalsContact CG-OG1 3.31Å; D164-T166 PolarHBondContact O-N 3.47Å; D164-T166 VanDerWaalsContact O-N 3.16Å; D164-T166 VanDerWaalsContact OD1-CA 3.28Å; D164-T166 WeakPolarHBondContact OD1-CA 3.38Å; D164-T166 WeakPolarHBondContact OD1-CB 3.31Å; D164-T166 PolarHBondContact OD1-N 3.41Å; D164-T166 PolarHBondContact OD1-OG1 3.4Å; D164-T166 PolarHBondContact OD2-OG1 2.99Å; D164-G167 PolarHBondContact O-N 3.44Å; D164-G167 VanDerWaalsContact O-N 3.09Å; D164-G167 PolarHBondContact OD1-N 3.29Å; D164-G167 VanDerWaalsContact OD1-N 3.08Å; D164-S168 PolarHBondContact N-O 2.87Å; D164-S168 PolarHBondContact OD1-N 3.05Å; D164-I170 HydrophobicContact CB-CG2 4.19Å
165	Q	94.3	Very high	96.2	Very high	50 Å²	50	60.2 Å²	60.2	23%	0.234	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.6	177.9	-59.6	-62.7	-79.2	0	0	113.8	Y109 S113 V122 L123 G152	Y109-Q165 PolarHBondContact OH-NE2 3.37Å; S113-Q165 PolarHBondContact OG-OE1 3.05Å; V122-Q165 HydrophobicContact CB-CB 4.11Å; V122-Q165 HydrophobicContact CB-CG 4.08Å; V122-Q165 HydrophobicContact CG1-CB 4.4Å; L123-Q165 HydrophobicContact CB-CG 4.16Å; G152-Q165 PolarHBondContact O-N 3.22Å; G152-Q165 PolarHBondContact O-NE2 2.91Å
166	T	92.1	Very high	96.2	Very high	107 Å²	107	62 Å²	62	66%	0.656	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.3	176.7	77.1	0	0	0	0	112.7	D164 S168	D164-T166 VanDerWaalsContact CG-OG1 3.31Å; D164-T166 PolarHBondContact O-N 3.47Å; D164-T166 VanDerWaalsContact O-N 3.16Å; D164-T166 VanDerWaalsContact OD1-CA 3.28Å; D164-T166 WeakPolarHBondContact OD1-CA 3.38Å; D164-T166 WeakPolarHBondContact OD1-CB 3.31Å; D164-T166 PolarHBondContact OD1-N 3.41Å; D164-T166 PolarHBondContact OD1-OG1 3.4Å; D164-T166 PolarHBondContact OD2-OG1 2.99Å; T166-S168 PolarHBondContact OG1-OG 3.38Å
167	G	94.1	Very high	96.1	Very high	47 Å²	47	61.5 Å²	61.5	49%	0.485	36%	0.364	S	S	.	.	S	Bend	trans	82.7	12.9	-172.8	0	0	0	0	0	113.7	M163 D164	M163-G167 VanDerWaalsContact SD-O 3.39Å; D164-G167 PolarHBondContact O-N 3.44Å; D164-G167 VanDerWaalsContact O-N 3.09Å; D164-G167 PolarHBondContact OD1-N 3.29Å; D164-G167 VanDerWaalsContact OD1-N 3.08Å
168	S	95.7	Very high	96	Very high	62 Å²	62	60.1 Å²	60.1	43%	0.434	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-89.2	138.8	175.7	-58.4	0	0	0	0	110.3	M163 D164 T166 I170	M163-S168 CarbonylContact C-O 3.55Å; M163-S168 VanDerWaalsContact CA-O 3.22Å; M163-S168 WeakPolarHBondContact CA-O 3.36Å; D164-S168 PolarHBondContact N-O 2.87Å; D164-S168 PolarHBondContact OD1-N 3.05Å; T166-S168 PolarHBondContact OG1-OG 3.38Å; S168-I170 PolarHBondContact O-N 2.9Å
169	S	96.8	Very high	95.8	Very high	82 Å²	82	60.4 Å²	60.4	57%	0.573	36%	0.362	S	S	*	.	B	Isolated β-bridge	trans	-61.3	131.7	176.4	-60.4	0	0	0	0	111.5
170	I	96.5	Very high	95.3	Very high	20 Å²	20	65.6 Å²	65.6	10%	0.103	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-72.1	139.4	-179.5	66.8	-179	0	0	0	111.7	T125 V153 W162 D164 S168 K173 W203	T125-I170 HydrophobicContact CG2-CG2 4.14Å; V153-I170 HydrophobicContact CB-CD1 4.29Å; V153-I170 HydrophobicContact CG1-CD1 4.1Å; V153-I170 HydrophobicContact CG1-CG2 3.86Å; W162-I170 HydrophobicContact CB-CD1 3.59Å; W162-I170 HydrophobicContact CB-CG1 3.97Å; W162-I170 PolarHBondContact O-N 3.09Å; W162-I170 VanDerWaalsContact O-N 3.11Å; D164-I170 HydrophobicContact CB-CG2 4.19Å; S168-I170 PolarHBondContact O-N 2.9Å; I170-K173 HydrophobicContact CD1-CG 3.81Å; I170-K173 HydrophobicContact CG1-CG 4.02Å; I170-W203 HydrophobicContact CD1-CZ3 4.01Å
171	T	94.9	Very high	95	Very high	134 Å²	134	74.7 Å²	74.7	82%	0.822	40%	0.403	S	S	*	.	S	Bend	trans	-91.8	-37	-179.8	53.7	0	0	0	0	112.5
172	Y	97.3	Very high	94.7	Very high	39 Å²	39	72.2 Å²	72.2	15%	0.153	40%	0.396	C	S	.	.			trans	-100.1	139	176.9	177.1	-101.1	0	0	0	110.9	P126 S127 S129 N132 N174 W203	P126-Y172 HydrophobicContact CB-CD1 4.39Å; P126-Y172 HydrophobicContact CB-CE1 4.47Å; P126-Y172 WeakPolarHBondContact O-CD1 3.23Å; S127-Y172 WeakPolarHBondContact O-CB 3.38Å; S129-Y172 WeakPolarHBondContact CA-OH 3.32Å; N132-Y172 HydrophobicContact CB-CE1 3.81Å; Y172-N174 HydrophobicContact CE1-CB 3.94Å; Y172-N174 WeakPolarHBondContact OH-CB 3.37Å; Y172-W203 AromaticContact CD1-CH2 3.75Å; Y172-W203 HydrophobicContact CD1-CH2 3.75Å; Y172-W203 AromaticContact CD1-CZ2 3.74Å; Y172-W203 HydrophobicContact CD1-CZ2 3.74Å; Y172-W203 HydrophobicContact CE1-CH2 4.12Å; Y172-W203 AromaticContact CE1-CZ2 3.66Å; Y172-W203 HydrophobicContact CE1-CZ2 3.66Å; Y172-W203 WeakPolarHBondContact O-CH2 3.46Å
173	K	96.6	Very high	94.6	Very high	105 Å²	105	75 Å²	75	46%	0.457	42%	0.415	S	S	.	.			trans	-141.8	135	179.9	-66.5	175.5	-178.2	-178.5	0	108.8	I170	I170-K173 HydrophobicContact CD1-CG 3.81Å; I170-K173 HydrophobicContact CG1-CG 4.02Å
174	N	97.8	Very high	94.5	Very high	21 Å²	21	75.5 Å²	75.5	11%	0.112	42%	0.417	C	S	.	.			trans	-128.5	39.7	177.1	-158.8	23.1	0	0	0	112.7	N132 Y172 G201 K202 W203	N132-N174 PolarHBondContact ND2-ND2 3.45Å; N132-N174 VanDerWaalsContact ND2-ND2 3.16Å; Y172-N174 HydrophobicContact CE1-CB 3.94Å; Y172-N174 WeakPolarHBondContact OH-CB 3.37Å; N174-G201 PolarHBondContact ND2-O 3.16Å; N174-K202 CarbonylContact O-C 3.6Å; N174-K202 WeakPolarHBondContact O-CA 3.44Å; N174-K202 WeakPolarHBondContact O-CD 3.07Å; N174-K202 PolarHBondContact OD1-NZ 3.43Å; N174-W203 HydrophobicContact CB-CD2 4.07Å; N174-W203 HydrophobicContact CB-CG 4.12Å; N174-W203 HydrophobicContact CB-CZ2 4.36Å; N174-W203 PolarHBondContact O-N 2.78Å
175	W	97.8	Very high	94.5	Very high	38 Å²	38	76.3 Å²	76.3	14%	0.144	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-52.9	143.6	-179.6	-60	118.1	0	0	0	113.2	V153 W162 A177 Q184 W203	V153-W175 HydrophobicContact CG2-CH2 4.49Å; W162-W175 AromaticContact CD2-CH2 3.59Å; W162-W175 HydrophobicContact CD2-CH2 3.59Å; W162-W175 AromaticContact CD2-CZ2 3.35Å; W162-W175 HydrophobicContact CD2-CZ2 3.35Å; W162-W175 AromaticContact CE2-CH2 3.59Å; W162-W175 AromaticContact CE2-CZ2 3.52Å; W162-W175 AromaticContact CE3-CH2 3.55Å; W162-W175 HydrophobicContact CE3-CH2 3.55Å; W162-W175 AromaticContact CE3-CZ2 3.71Å; W162-W175 HydrophobicContact CE3-CZ2 3.71Å; W162-W175 HydrophobicContact CG-CH2 4.42Å; W162-W175 AromaticContact CG-CZ2 3.72Å; W162-W175 HydrophobicContact CG-CZ2 3.72Å; W162-W175 AromaticContact CH2-CH2 3.54Å; W162-W175 HydrophobicContact CH2-CH2 3.54Å; W162-W175 HydrophobicContact CH2-CZ2 4.31Å; W162-W175 HydrophobicContact CH2-CZ3 4.24Å; W162-W175 AromaticContact CZ2-CH2 3.58Å; W162-W175 HydrophobicContact CZ2-CH2 3.58Å; W162-W175 HydrophobicContact CZ2-CZ2 4.01Å; W162-W175 HydrophobicContact CZ2-CZ3 4.28Å; W162-W175 AromaticContact CZ3-CH2 3.53Å; W162-W175 HydrophobicContact CZ3-CH2 3.53Å; W162-W175 HydrophobicContact CZ3-CZ2 4.18Å; W162-W175 AromaticContact NE1-CZ2 3.95Å; W175-A177 PolarHBondContact O-N 2.65Å; W175-Q184 HydrophobicContact CB-CB 4.26Å; W175-Q184 WeakPolarHBondContact CB-O 3.48Å; W175-Q184 HydrophobicContact CE3-CB 4.2Å; W175-W203 WeakPolarHBondContact CA-O 3.28Å; W175-W203 HydrophobicContact CD2-CB 4.17Å; W175-W203 HydrophobicContact CE3-CB 3.55Å; W175-W203 HydrophobicContact CH2-CE3 4.42Å; W175-W203 HydrophobicContact CZ2-CE3 4.27Å; W175-W203 HydrophobicContact CZ3-CB 3.76Å
176	D	97.1	Very high	94.5	Very high	43 Å²	43	77.2 Å²	77.2	23%	0.23	43%	0.431	C	S	.	.			trans	-73.3	113.3	173.8	-166.1	-5.7	0	0	0	111	S178 Q184 K202 W203	D176-S178 WeakPolarHBondContact OD1-CB 3.14Å; D176-S178 PolarHBondContact OD1-N 3.21Å; D176-S178 PolarHBondContact OD1-OG 2.81Å; D176-S178 PolarHBondContact OD2-OG 2.8Å; D176-Q184 HydrophobicContact CB-CB 4.43Å; D176-Q184 HydrophobicContact CB-CG 3.93Å; D176-Q184 WeakPolarHBondContact O-CB 3.48Å; D176-Q184 PolarHBondContact O-N 2.86Å; D176-K202 HydrophobicContact CB-CB 3.83Å; D176-W203 PolarHBondContact N-O 3.29Å
177	A	95.3	Very high	94.6	Very high	59 Å²	59	72.8 Å²	72.8	49%	0.488	41%	0.406	S	S	.	.			trans	-110.9	14.4	175.8	0	0	0	0	0	112.5	W175 N179 P183	W175-A177 PolarHBondContact O-N 2.65Å; A177-N179 VanDerWaalsContact C-N 3.26Å; A177-N179 PolarHBondContact O-N 3.44Å; A177-P183 HydrophobicContact CB-CB 4.38Å
178	S	92.7	Very high	94.6	Very high	84 Å²	84	71.8 Å²	71.8	59%	0.587	40%	0.396	S	S	*	.	S	Bend	trans	-64.9	-30.6	-179.1	63.1	0	0	0	0	112.7	D176 F180	D176-S178 WeakPolarHBondContact OD1-CB 3.14Å; D176-S178 PolarHBondContact OD1-N 3.21Å; D176-S178 PolarHBondContact OD1-OG 2.81Å; D176-S178 PolarHBondContact OD2-OG 2.8Å; S178-F180 PolarHBondContact O-N 3.03Å
179	N	91.1	Very high	94.5	Very high	83 Å²	83	77.2 Å²	77.2	44%	0.444	41%	0.412	S	S	.	.			trans	-88.7	94.2	170.1	-175.8	-2.6	0	0	0	110.9	A177 R181 S182 P183	A177-N179 VanDerWaalsContact C-N 3.26Å; A177-N179 PolarHBondContact O-N 3.44Å; N179-R181 PolarHBondContact O-N 2.88Å; N179-R181 PolarHBondContact OD1-N 3.3Å; N179-R181 VanDerWaalsContact OD1-N 3.08Å; N179-S182 CarbonylContact O-C 3.54Å; N179-S182 PolarHBondContact O-N 2.84Å; N179-S182 PolarHBondContact OD1-N 2.59Å; N179-P183 VanDerWaalsContact O-N 3.14Å
180	F	87.6	Confident	94.5	Very high	193 Å²	193	76.8 Å²	76.8	85%	0.846	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.9	178.9	-63.1	-73.7	0	0	0	115	S178	S178-F180 PolarHBondContact O-N 3.03Å
181	R	89.1	Confident	94.6	Very high	240 Å²	240	78.1 Å²	78.1	91%	0.906	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-25.3	177.6	-65.3	-176.3	-175.9	-101.1	1.2	113	N179	N179-R181 PolarHBondContact O-N 2.88Å; N179-R181 PolarHBondContact OD1-N 3.3Å; N179-R181 VanDerWaalsContact OD1-N 3.08Å
182	S	90.3	Very high	94.7	Very high	46 Å²	46	73.2 Å²	73.2	32%	0.322	38%	0.384	S	S	.	.	S	Bend	trans	-147.6	73.2	-177.6	-152.8	0	0	0	0	108.6	N179 D186	N179-S182 CarbonylContact O-C 3.54Å; N179-S182 PolarHBondContact O-N 2.84Å; N179-S182 PolarHBondContact OD1-N 2.59Å; S182-D186 WeakPolarHBondContact CB-OD2 3.22Å; S182-D186 WeakPolarHBondContact OG-CB 3.17Å; S182-D186 PolarHBondContact OG-OD2 3.24Å
183	P	94.3	Very high	94.8	Very high	65 Å²	65	71.3 Å²	71.3	42%	0.422	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.8	141.2	175.6	30.8	-33.8	0	0	0	109.4	A177 N179 P185	A177-P183 HydrophobicContact CB-CB 4.38Å; N179-P183 VanDerWaalsContact O-N 3.14Å; P183-P185 CarbonylContact O-C 3.15Å
184	Q	96.6	Very high	94.9	Very high	30 Å²	30	66.3 Å²	66.3	14%	0.14	36%	0.355	C	S	.	.	S	Bend	trans	-68.3	148.6	175.4	-61	-74.1	-69.9	0	0	110.4	W175 D176 D186 L204 D205	W175-Q184 HydrophobicContact CB-CB 4.26Å; W175-Q184 WeakPolarHBondContact CB-O 3.48Å; W175-Q184 HydrophobicContact CE3-CB 4.2Å; D176-Q184 HydrophobicContact CB-CB 4.43Å; D176-Q184 HydrophobicContact CB-CG 3.93Å; D176-Q184 WeakPolarHBondContact O-CB 3.48Å; D176-Q184 PolarHBondContact O-N 2.86Å; Q184-D186 PolarHBondContact NE2-OD1 2.75Å; Q184-D186 PolarHBondContact NE2-OD2 2.75Å; Q184-D186 VanDerWaalsContact NE2-OD2 3.13Å; Q184-L204 HydrophobicContact CG-CB 4.47Å; Q184-L204 HydrophobicContact CG-CD2 4.48Å; Q184-L204 HydrophobicContact CG-CG 4.24Å; Q184-L204 VanDerWaalsContact OE1-CB 3.25Å; Q184-D205 PolarHBondContact OE1-OD1 3.18Å
185	P	96.4	Very high	94.9	Very high	55 Å²	55	65.3 Å²	65.3	36%	0.357	35%	0.349	S	S	.	.	S	Bend	cis	-74.3	138.5	-8.1	31.9	-35.7	0	0	0	112.6	W162 P183 D205	W162-P185 HydrophobicContact CZ2-CB 3.77Å; W162-P185 HydrophobicContact CZ2-CG 4.3Å; P183-P185 CarbonylContact O-C 3.15Å; P185-D205 WeakPolarHBondContact CA-OD1 3.44Å; P185-D205 HydrophobicContact CB-CB 3.68Å; P185-D205 VanDerWaalsContact CB-CG 3.44Å
186	D	95.4	Very high	94.9	Very high	68 Å²	68	63.5 Å²	63.5	36%	0.364	34%	0.342	S	S	.	.			trans	-129.4	-5.2	-174.3	71.6	-3.7	0	0	0	116.5	S182 Q184 D205	S182-D186 WeakPolarHBondContact CB-OD2 3.22Å; S182-D186 WeakPolarHBondContact OG-CB 3.17Å; S182-D186 PolarHBondContact OG-OD2 3.24Å; Q184-D186 PolarHBondContact NE2-OD1 2.75Å; Q184-D186 PolarHBondContact NE2-OD2 2.75Å; Q184-D186 VanDerWaalsContact NE2-OD2 3.13Å; D186-D205 PolarHBondContact N-OD1 3.39Å; D186-D205 PolarHBondContact N-OD2 3.5Å
187	G	92.9	Very high	94.9	Very high	14 Å²	14	62.7 Å²	62.7	14%	0.144	34%	0.34	C	S	.	.			trans	-87.4	-4.5	-174.5	0	0	0	0	0	115.8	S190 D205	G187-S190 PolarHBondContact O-N 3.45Å; G187-S190 PolarHBondContact O-OG 3.39Å; G187-D205 WeakPolarHBondContact CA-OD2 3.42Å; G187-D205 PolarHBondContact N-OD2 2.88Å
188	G	94.3	Very high	95	Very high	27 Å²	27	60 Å²	60	28%	0.278	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	53	-141.5	-178.6	0	0	0	0	0	112.5	E159 S190 Q191	E159-G188 WeakPolarHBondContact OE1-CA 3.46Å; G188-S190 PolarHBondContact O-N 3.11Å; G188-Q191 PolarHBondContact O-N 3.12Å; G188-Q191 VanDerWaalsContact O-N 3.12Å
189	K	94.7	Very high	94.9	Very high	175 Å²	175	60.7 Å²	60.7	76%	0.761	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-59.4	-9.5	179.3	-64.5	-176.1	178.1	-174.7	0	116.1	E159 N192	E159-K189 HydrophobicContact CG-CG 4.33Å; E159-K189 PolarHBondContact OE1-N 2.72Å; E159-K189 WeakPolarHBondContact OE2-CA 3.22Å; E159-K189 VanDerWaalsContact OE2-CG 3.25Å; E159-K189 WeakPolarHBondContact OE2-CG 3.48Å; E159-K189 PolarHBondContact OE2-N 2.88Å; E159-K189 VanDerWaalsContact OE2-N 3.12Å; K189-N192 PolarHBondContact O-ND2 2.88Å
190	S	96.4	Very high	95	Very high	74 Å²	74	58.7 Å²	58.7	52%	0.517	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-93.3	-20.9	-178.2	73.9	0	0	0	0	113.6	G187 G188	G187-S190 PolarHBondContact O-N 3.45Å; G187-S190 PolarHBondContact O-OG 3.39Å; G188-S190 PolarHBondContact O-N 3.11Å
191	Q	97.6	Very high	95.4	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	28%	0.277	C	S	.	.			trans	-128.9	87.2	-175.5	-63.5	177.9	-105.3	0	0	109.3	G188 D205 E206	G188-Q191 PolarHBondContact O-N 3.12Å; G188-Q191 VanDerWaalsContact O-N 3.12Å; Q191-D205 HydrophobicContact CB-CB 4.21Å; Q191-D205 PolarHBondContact NE2-O 3.4Å; Q191-E206 CarbonylContact C-O 3.53Å; Q191-E206 WeakPolarHBondContact CA-O 3.46Å
192	N	98.3	Very high	95.8	Very high	31 Å²	31	42 Å²	42	17%	0.166	25%	0.251	C	S	.	.			trans	-105.8	8.8	-170.1	-50.7	-76.9	0	0	0	113.7	N154 D155 M156 K189 E206	N154-N192 WeakPolarHBondContact CA-O 3.49Å; N154-N192 WeakPolarHBondContact CB-O 3.3Å; D155-N192 PolarHBondContact N-O 3.38Å; D155-N192 WeakPolarHBondContact OD1-CA 3.31Å; D155-N192 WeakPolarHBondContact OD1-CB 3.27Å; M156-N192 HydrophobicContact CB-CB 4.35Å; M156-N192 HydrophobicContact CG-CB 3.47Å; M156-N192 VanDerWaalsContact CG-CB 3.47Å; K189-N192 PolarHBondContact O-ND2 2.88Å; N192-E206 PolarHBondContact N-O 2.82Å
193	C	98.6	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.7	-172.3	-72.2	0	0	0	0	111.4	Y109 W150 E206 C208	Y109-C193 WeakPolarHBondContact CD1-SG 3.46Å; Y109-C193 HydrophobicContact CD2-CB 3.57Å; Y109-C193 VanDerWaalsContact CD2-SG 3.57Å; Y109-C193 HydrophobicContact CE2-CB 3.93Å; Y109-C193 HydrophobicContact CG-CB 3.89Å; W150-C193 HydrophobicContact CE3-CB 4.36Å; W150-C193 HydrophobicContact CH2-CB 4.32Å; W150-C193 HydrophobicContact CZ3-CB 3.76Å; C193-E206 PolarHBondContact N-O 2.61Å; C193-E206 PolarHBondContact O-N 3.29Å; C193-C208 HydrophobicContact CB-CB 3.96Å; C193-C208 WeakPolarHBondContact CB-SG 3.01Å; C193-C208 WeakPolarHBondContact SG-CB 3.35Å; C193-C208 CovalentContact SG-SG 2.03Å; C193-C208 PolarHBondContact SG-SG 2.88Å
194	G	98.1	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.5	-176	0	0	0	0	0	112.3	L151 V153 L204	L151-G194 PolarHBondContact N-O 3.45Å; V153-G194 PolarHBondContact O-N 2.76Å; G194-L204 WeakPolarHBondContact CA-O 3.21Å
195	A	98.4	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.7	172.2	0	0	0	0	0	110.9	Q148 V149 W150 W203 L204 E206 K212	Q148-A195 HydrophobicContact CB-CB 4.26Å; V149-A195 CarbonylContact O-C 3.44Å; V149-A195 WeakPolarHBondContact O-CA 3.31Å; V149-A195 WeakPolarHBondContact O-CB 3.21Å; W150-A195 HydrophobicContact CE3-CB 3.99Å; W150-A195 HydrophobicContact CZ3-CB 4.08Å; A195-W203 CarbonylContact O-C 3.47Å; A195-W203 WeakPolarHBondContact O-CA 3.48Å; A195-L204 PolarHBondContact N-O 3.49Å; A195-L204 PolarHBondContact O-N 2.97Å; A195-E206 HydrophobicContact CB-CG 3.96Å; A195-K212 HydrophobicContact CB-CD 3.96Å
196	M	98.4	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.5	173.5	178.9	173.5	60.6	0	0	110.4	N132 L135 R136 I139 Q148 V149 L151 L198	N132-M196 PolarHBondContact OD1-SD 3.25Å; L135-M196 HydrophobicContact CD2-CE 4.3Å; L135-M196 HydrophobicContact CG-CE 4.24Å; R136-M196 HydrophobicContact CB-CE 4.11Å; R136-M196 HydrophobicContact CB-SD 4.14Å; I139-M196 HydrophobicContact CD1-CE 3.87Å; Q148-M196 CarbonylContact C-O 3.52Å; Q148-M196 WeakPolarHBondContact CA-O 3.42Å; V149-M196 HydrophobicContact CG1-CB 3.92Å; V149-M196 HydrophobicContact CG1-CE 3.84Å; V149-M196 PolarHBondContact N-O 3.38Å; V149-M196 PolarHBondContact O-N 3.24Å; L151-M196 HydrophobicContact CD1-CB 3.99Å; L151-M196 HydrophobicContact CD2-CB 4.05Å; L151-M196 HydrophobicContact CG-CB 4Å; M196-L198 HydrophobicContact CE-CD2 4.43Å
197	S	97.5	Very high	96.6	Very high	26 Å²	26	35.1 Å²	35.1	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127	168.1	172.3	0	0	0	0	110.6	T199 G201 K202	S197-T199 VanDerWaalsContact C-N 3.29Å; S197-T199 PolarHBondContact O-N 2.85Å; S197-G201 WeakPolarHBondContact O-CA 3.43Å; S197-G201 PolarHBondContact O-N 3.24Å; S197-K202 WeakPolarHBondContact CB-O 3.2Å; S197-K202 PolarHBondContact N-O 3.02Å
198	L	95.8	Very high	96.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.7	-178.9	-62.4	-178.4	0	0	0	112.9	I139 R140 G144 G147 V149 M196	I139-L198 HydrophobicContact CB-CD2 3.96Å; I139-L198 HydrophobicContact CG2-CD1 3.9Å; I139-L198 HydrophobicContact CG2-CD2 3.56Å; I139-L198 HydrophobicContact CG2-CG 4.4Å; R140-L198 VanDerWaalsContact CD-O 3.31Å; R140-L198 WeakPolarHBondContact CD-O 3.28Å; R140-L198 HydrophobicContact CG-CB 4.14Å; R140-L198 PolarHBondContact NH1-O 2.79Å; G144-L198 WeakPolarHBondContact O-CD1 3.46Å; G147-L198 PolarHBondContact O-N 2.81Å; V149-L198 HydrophobicContact CB-CD2 4.38Å; V149-L198 HydrophobicContact CG1-CD2 3.89Å; M196-L198 HydrophobicContact CE-CD2 4.43Å
199	T	92.1	Very high	97.1	Very high	100 Å²	100	42.9 Å²	42.9	61%	0.613	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-43.1	177.5	-48.8	0	0	0	0	112.1	S197	S197-T199 VanDerWaalsContact C-N 3.29Å; S197-T199 PolarHBondContact O-N 2.85Å
200	G	91.6	Very high	97.3	Very high	41 Å²	41	39.1 Å²	39.1	42%	0.423	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-6.6	-173.4	0	0	0	0	0	115.5	K202	G200-K202 PolarHBondContact O-N 2.93Å
201	G	96.2	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.			trans	68.7	8.6	-173.5	0	0	0	0	0	114.2	N132 N174 S197	N132-G201 PolarHBondContact ND2-O 3.05Å; N174-G201 PolarHBondContact ND2-O 3.16Å; S197-G201 WeakPolarHBondContact O-CA 3.43Å; S197-G201 PolarHBondContact O-N 3.24Å
202	K	97.8	Very high	97.4	Very high	81 Å²	81	39.9 Å²	39.9	35%	0.352	20%	0.203	S	C	.	.			trans	-83.9	148.8	-179.6	-64	-62.7	178.3	-178.5	0	111.8	N174 D176 S197 G200	N174-K202 CarbonylContact O-C 3.6Å; N174-K202 WeakPolarHBondContact O-CA 3.44Å; N174-K202 WeakPolarHBondContact O-CD 3.07Å; N174-K202 PolarHBondContact OD1-NZ 3.43Å; D176-K202 HydrophobicContact CB-CB 3.83Å; S197-K202 WeakPolarHBondContact CB-O 3.2Å; S197-K202 PolarHBondContact N-O 3.02Å; G200-K202 PolarHBondContact O-N 2.93Å
203	W	98.2	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.7	-173.9	-56.7	-2	0	0	0	111.3	P126 N132 L151 V153 I170 Y172 N174 W175 D176 A195	P126-W203 HydrophobicContact CB-CZ2 4.01Å; P126-W203 HydrophobicContact CG-CZ2 3.89Å; N132-W203 PolarHBondContact OD1-NE1 3.24Å; L151-W203 HydrophobicContact CD1-CD2 3.61Å; L151-W203 VanDerWaalsContact CD1-CE2 3.43Å; L151-W203 HydrophobicContact CD1-CE3 4.21Å; L151-W203 HydrophobicContact CD1-CG 3.85Å; L151-W203 HydrophobicContact CD1-CH2 4.46Å; L151-W203 HydrophobicContact CD1-CZ2 3.91Å; V153-W203 HydrophobicContact CG1-CZ3 4.47Å; I170-W203 HydrophobicContact CD1-CZ3 4.01Å; Y172-W203 AromaticContact CD1-CH2 3.75Å; Y172-W203 HydrophobicContact CD1-CH2 3.75Å; Y172-W203 AromaticContact CD1-CZ2 3.74Å; Y172-W203 HydrophobicContact CD1-CZ2 3.74Å; Y172-W203 HydrophobicContact CE1-CH2 4.12Å; Y172-W203 AromaticContact CE1-CZ2 3.66Å; Y172-W203 HydrophobicContact CE1-CZ2 3.66Å; Y172-W203 WeakPolarHBondContact O-CH2 3.46Å; N174-W203 HydrophobicContact CB-CD2 4.07Å; N174-W203 HydrophobicContact CB-CG 4.12Å; N174-W203 HydrophobicContact CB-CZ2 4.36Å; N174-W203 PolarHBondContact O-N 2.78Å; W175-W203 WeakPolarHBondContact CA-O 3.28Å; W175-W203 HydrophobicContact CD2-CB 4.17Å; W175-W203 HydrophobicContact CE3-CB 3.55Å; W175-W203 HydrophobicContact CH2-CE3 4.42Å; W175-W203 HydrophobicContact CZ2-CE3 4.27Å; W175-W203 HydrophobicContact CZ3-CB 3.76Å; D176-W203 PolarHBondContact N-O 3.29Å; A195-W203 CarbonylContact O-C 3.47Å; A195-W203 WeakPolarHBondContact O-CA 3.48Å
204	L	98.1	Very high	97.4	Very high	27 Å²	27	38.9 Å²	38.9	14%	0.141	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.4	177	-60.8	97.2	0	0	0	109.3	Q184 G194 A195 E206	Q184-L204 HydrophobicContact CG-CB 4.47Å; Q184-L204 HydrophobicContact CG-CD2 4.48Å; Q184-L204 HydrophobicContact CG-CG 4.24Å; Q184-L204 VanDerWaalsContact OE1-CB 3.25Å; G194-L204 WeakPolarHBondContact CA-O 3.21Å; A195-L204 PolarHBondContact N-O 3.49Å; A195-L204 PolarHBondContact O-N 2.97Å; L204-E206 HydrophobicContact CB-CG 4.19Å
205	D	97.8	Very high	97.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.3	166.5	67.1	-48.4	0	0	0	109.1	W162 Q184 P185 D186 G187 Q191	W162-D205 HydrophobicContact CH2-CB 3.58Å; W162-D205 HydrophobicContact CZ2-CB 3.58Å; Q184-D205 PolarHBondContact OE1-OD1 3.18Å; P185-D205 WeakPolarHBondContact CA-OD1 3.44Å; P185-D205 HydrophobicContact CB-CB 3.68Å; P185-D205 VanDerWaalsContact CB-CG 3.44Å; D186-D205 PolarHBondContact N-OD1 3.39Å; D186-D205 PolarHBondContact N-OD2 3.5Å; G187-D205 WeakPolarHBondContact CA-OD2 3.42Å; G187-D205 PolarHBondContact N-OD2 2.88Å; Q191-D205 HydrophobicContact CB-CB 4.21Å; Q191-D205 PolarHBondContact NE2-O 3.4Å
206	E	98.2	Very high	97.3	Very high	31 Å²	31	39 Å²	39	15%	0.145	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.9	-168.8	-71.5	-80.5	167.8	0	0	110	Q148 W150 Q191 N192 C193 A195 L204 C208 K212	Q148-E206 PolarHBondContact NE2-OE1 3.41Å; Q148-E206 PolarHBondContact OE1-OE1 3.28Å; W150-E206 HydrophobicContact CH2-CB 3.87Å; W150-E206 HydrophobicContact CZ3-CB 3.79Å; Q191-E206 CarbonylContact C-O 3.53Å; Q191-E206 WeakPolarHBondContact CA-O 3.46Å; N192-E206 PolarHBondContact N-O 2.82Å; C193-E206 PolarHBondContact N-O 2.61Å; C193-E206 PolarHBondContact O-N 3.29Å; A195-E206 HydrophobicContact CB-CG 3.96Å; L204-E206 HydrophobicContact CB-CG 4.19Å; E206-C208 PolarHBondContact O-N 2.81Å; E206-K212 VanDerWaalsContact CD-NZ 3.34Å; E206-K212 IonicContact OE1-NZ 2.82Å; E206-K212 IonicContact OE2-NZ 2.72Å; E206-K212 PolarHBondContact OE2-NZ 3.39Å
207	N	98.3	Very high	97.1	Very high	60 Å²	60	39.8 Å²	39.8	32%	0.321	20%	0.202	S	C	.	.			trans	-66.7	119.8	173.8	-179.1	-21.9	0	0	0	108.8	R209 E210	N207-R209 PolarHBondContact O-N 2.82Å; N207-R209 WeakPolarHBondContact OD1-CB 3.36Å; N207-R209 PolarHBondContact OD1-N 3.13Å; N207-E210 HydrophobicContact CB-CG 4.12Å; N207-E210 WeakPolarHBondContact O-CB 3.25Å; N207-E210 WeakPolarHBondContact O-CG 3.44Å; N207-E210 PolarHBondContact O-N 3.34Å
208	C	98.4	Very high	96.9	Very high	14 Å²	14	39 Å²	39	10%	0.095	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.5	-177.3	-56.1	0	0	0	0	114.5	Y109 C193 E206	Y109-C208 PolarHBondContact N-O 3.23Å; Y109-C208 VanDerWaalsContact N-O 3.16Å; C193-C208 HydrophobicContact CB-CB 3.96Å; C193-C208 WeakPolarHBondContact CB-SG 3.01Å; C193-C208 WeakPolarHBondContact SG-CB 3.35Å; C193-C208 CovalentContact SG-SG 2.03Å; C193-C208 PolarHBondContact SG-SG 2.88Å; E206-C208 PolarHBondContact O-N 2.81Å
209	R	98.3	Very high	96.6	Very high	190 Å²	190	43.9 Å²	43.9	72%	0.717	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-11	177.7	-60.9	-178.6	178.7	175.8	1.1	114	R108 N207	R108-R209 WeakPolarHBondContact CG-O 3.34Å; R108-R209 PolarHBondContact NE-O 2.92Å; N207-R209 PolarHBondContact O-N 2.82Å; N207-R209 WeakPolarHBondContact OD1-CB 3.36Å; N207-R209 PolarHBondContact OD1-N 3.13Å
210	E	98.4	Very high	96.1	Very high	97 Å²	97	41.8 Å²	41.8	45%	0.453	21%	0.206	S	C	.	.	S	Bend	trans	-64.3	159.8	172	-67.5	-59.1	143.1	0	0	110.9	R108 W150 N207	R108-E210 WeakPolarHBondContact CA-O 3.45Å; W150-E210 HydrophobicContact CH2-CB 4.34Å; W150-E210 HydrophobicContact CZ2-CB 4.15Å; W150-E210 WeakPolarHBondContact CZ2-O 3.16Å; N207-E210 HydrophobicContact CB-CG 4.12Å; N207-E210 WeakPolarHBondContact O-CB 3.25Å; N207-E210 WeakPolarHBondContact O-CG 3.44Å; N207-E210 PolarHBondContact O-N 3.34Å
211	E	98.3	Very high	95.2	Very high	117 Å²	117	48 Å²	48	55%	0.547	24%	0.236	S	C	.	.			trans	-111.2	116.7	179.6	-65.3	-176.1	156.6	0	0	110.6	K106 K107 R108	K106-E211 HydrophobicContact CB-CB 4.01Å; K107-E211 WeakPolarHBondContact O-CA 3.49Å; R108-E211 HydrophobicContact CG-CG 4.2Å
212	K	98.4	Very high	95.2	Very high	19 Å²	19	50.5 Å²	50.5	8%	0.083	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.9	-179	-51.2	-178.8	-160.4	-73.8	0	109	K106 K107 Q148 W150 A195 E206	K106-K212 WeakPolarHBondContact CA-O 3.48Å; K107-K212 PolarHBondContact N-O 3.18Å; K107-K212 PolarHBondContact O-N 2.7Å; Q148-K212 HydrophobicContact CB-CD 3.98Å; W150-K212 HydrophobicContact CD2-CB 4.13Å; W150-K212 HydrophobicContact CD2-CD 4.05Å; W150-K212 HydrophobicContact CD2-CG 4.38Å; W150-K212 HydrophobicContact CE3-CD 4.11Å; W150-K212 HydrophobicContact CG-CB 4.2Å; W150-K212 HydrophobicContact CH2-CD 3.77Å; W150-K212 HydrophobicContact CH2-CG 4.35Å; W150-K212 HydrophobicContact CZ2-CB 4.24Å; W150-K212 HydrophobicContact CZ2-CD 3.7Å; W150-K212 HydrophobicContact CZ2-CG 3.77Å; W150-K212 HydrophobicContact CZ3-CD 3.99Å; A195-K212 HydrophobicContact CB-CD 3.96Å; E206-K212 VanDerWaalsContact CD-NZ 3.34Å; E206-K212 IonicContact OE1-NZ 2.82Å; E206-K212 IonicContact OE2-NZ 2.72Å; E206-K212 PolarHBondContact OE2-NZ 3.39Å
213	P	98.2	Very high	95	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	163.6	165.5	29.3	-36.8	0	0	0	109.7	D103 V143 Q148 V149 W150	D103-P213 WeakPolarHBondContact O-CA 3.38Å; D103-P213 WeakPolarHBondContact O-CB 3.44Å; V143-P213 HydrophobicContact CG1-CB 3.85Å; V143-P213 HydrophobicContact CG1-CG 3.94Å; Q148-P213 VanDerWaalsContact O-CD 3.23Å; Q148-P213 WeakPolarHBondContact O-CD 3.45Å; Q148-P213 VanDerWaalsContact O-CG 3.31Å; Q148-P213 WeakPolarHBondContact O-CG 3.18Å; V149-P213 CarbonylContact C-O 3.57Å; V149-P213 WeakPolarHBondContact CA-O 3.47Å; V149-P213 HydrophobicContact CB-CG 4.35Å; V149-P213 HydrophobicContact CG2-CB 4.5Å; V149-P213 HydrophobicContact CG2-CG 4.37Å; V149-P213 WeakPolarHBondContact CG2-O 3.33Å; W150-P213 PolarHBondContact N-O 2.88Å
214	S	98.1	Very high	94.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	170.3	178.4	64.8	0	0	0	0	111.5	D103	D103-S214 PolarHBondContact N-O 2.04Å; D103-S214 PolarHBondContact O-N 3.47Å
215	V	97.6	Very high	94.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.2	170.8	52	0	0	0	0	108.8	F100 L101 A124 L135 Y138 I139 V149	F100-V215 HydrophobicContact CB-CG2 4Å; F100-V215 HydrophobicContact CD1-CG2 4.27Å; L101-V215 WeakPolarHBondContact O-CA 3.38Å; A124-V215 HydrophobicContact CB-CB 4.34Å; A124-V215 HydrophobicContact CB-CG1 3.62Å; A124-V215 HydrophobicContact CB-CG2 4.16Å; A124-V215 WeakPolarHBondContact CB-O 3.49Å; A124-V215 PolarHBondContact N-O 2.87Å; L135-V215 HydrophobicContact CD1-CG1 4.35Å; L135-V215 HydrophobicContact CD1-CG2 3.79Å; L135-V215 HydrophobicContact CD2-CG1 4.34Å; Y138-V215 HydrophobicContact CE1-CG2 4.44Å; I139-V215 HydrophobicContact CD1-CB 3.91Å; I139-V215 HydrophobicContact CD1-CG1 3.58Å; I139-V215 HydrophobicContact CD1-CG2 4.29Å; I139-V215 HydrophobicContact CG1-CB 4.36Å; I139-V215 HydrophobicContact CG1-CG2 4.5Å; V149-V215 HydrophobicContact CG2-CB 4.48Å; V149-V215 HydrophobicContact CG2-CG1 4.08Å
216	C	97.1	Very high	94.5	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.9	176.4	-52.8	0	0	0	0	109.7	F100 L101 C116 V122 F218	F100-C216 CarbonylContact C-O 3.59Å; F100-C216 VanDerWaalsContact CA-O 3.23Å; F100-C216 WeakPolarHBondContact CA-O 3.12Å; L101-C216 PolarHBondContact N-O 2.79Å; L101-C216 PolarHBondContact O-N 3.32Å; C116-C216 WeakPolarHBondContact CA-SG 3.42Å; C116-C216 HydrophobicContact CB-CB 3.68Å; C116-C216 WeakPolarHBondContact CB-SG 3.35Å; C116-C216 WeakPolarHBondContact SG-CA 3.43Å; C116-C216 WeakPolarHBondContact SG-CB 3.43Å; C116-C216 CovalentContact SG-SG 2.04Å; C116-C216 PolarHBondContact SG-SG 3.08Å; V122-C216 CarbonylContact O-C 3.48Å; V122-C216 VanDerWaalsContact O-CA 3.25Å; V122-C216 WeakPolarHBondContact O-CA 3.43Å; C216-F218 HydrophobicContact CB-CD2 4.5Å; C216-F218 HydrophobicContact CB-CE2 3.56Å; C216-F218 HydrophobicContact CB-CZ 3.86Å
217	E	95.6	Very high	94.2	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.5	168.2	72.9	-177.8	163.4	0	0	111.6	K98 C99 F100 G121 V122 A124 T125	K98-E217 IonicContact NZ-OE2 3.58Å; K98-E217 PolarHBondContact NZ-OE2 3.41Å; C99-E217 CarbonylContact O-C 3.52Å; C99-E217 WeakPolarHBondContact O-CA 3.4Å; F100-E217 HydrophobicContact CD1-CB 3.86Å; F100-E217 HydrophobicContact CE1-CB 3.61Å; F100-E217 HydrophobicContact CZ-CB 4.4Å; G121-E217 CarbonylContact C-O 3.59Å; G121-E217 VanDerWaalsContact CA-O 3.23Å; G121-E217 WeakPolarHBondContact CA-O 3.04Å; V122-E217 HydrophobicContact CG2-CG 3.52Å; V122-E217 PolarHBondContact N-O 2.74Å; V122-E217 PolarHBondContact O-N 3.44Å; A124-E217 HydrophobicContact CB-CB 4.03Å; T125-E217 VanDerWaalsContact N-CD 3.33Å; T125-E217 PolarHBondContact N-OE1 2.85Å; T125-E217 PolarHBondContact N-OE2 3.4Å
218	F	93.1	Very high	93.9	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.4	178.8	-56.7	-97.7	0	0	0	108.5	L85 V88 K98 C99 L101 L119 G121 C216	L85-F218 HydrophobicContact CD1-CB 3.73Å; V88-F218 HydrophobicContact CG1-CD2 3.49Å; V88-F218 VanDerWaalsContact CG1-CD2 3.49Å; V88-F218 HydrophobicContact CG1-CE2 3.5Å; V88-F218 VanDerWaalsContact CG1-CE2 3.5Å; V88-F218 HydrophobicContact CG1-CG 4.07Å; V88-F218 HydrophobicContact CG1-CZ 4.07Å; K98-F218 CarbonylContact C-O 3.17Å; K98-F218 WeakPolarHBondContact CA-O 3.05Å; C99-F218 HydrophobicContact CB-CB 4.49Å; C99-F218 PolarHBondContact N-O 2.72Å; C99-F218 PolarHBondContact O-N 3.36Å; L101-F218 HydrophobicContact CB-CE2 3.92Å; L119-F218 HydrophobicContact CB-CE1 3.88Å; L119-F218 HydrophobicContact CB-CZ 3.82Å; L119-F218 HydrophobicContact CD1-CZ 4.4Å; L119-F218 WeakPolarHBondContact O-CE1 3.18Å; G121-F218 VanDerWaalsContact CA-CD1 3.45Å; G121-F218 VanDerWaalsContact CA-CE1 3.44Å; G121-F218 VanDerWaalsContact N-CE1 3.27Å; C216-F218 HydrophobicContact CB-CD2 4.5Å; C216-F218 HydrophobicContact CB-CE2 3.56Å; C216-F218 HydrophobicContact CB-CZ 3.86Å
219	N	88.9	Confident	93.6	Very high	102 Å²	102	61.1 Å²	61.1	55%	0.545	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	132.1	177.4	-69	-47.8	0	0	0	110.1	V221	N219-V221 PolarHBondContact O-N 3.03Å
220	I	82.4	Confident	93.2	Very high	56 Å²	56	50.3 Å²	50.3	29%	0.287	27%	0.265	S	S	.	.			trans	-83.4	109.3	173.7	-53.9	174	0	0	0	108.2	L85 K94 K97	L85-I220 HydrophobicContact CD2-CB 4.27Å; L85-I220 HydrophobicContact CD2-CG1 4.25Å; L85-I220 HydrophobicContact CD2-CG2 4.13Å; K94-I220 HydrophobicContact CD-CD1 4.05Å; K94-I220 HydrophobicContact CG-CD1 4.2Å; K97-I220 WeakPolarHBondContact O-CB 3.45Å; K97-I220 WeakPolarHBondContact O-CG1 3.41Å; K97-I220 PolarHBondContact O-N 3.04Å
221	V	72.2	Confident	92.7	Very high	173 Å²	173	46.1 Å²	46.1	100%	1.048	25%	0.247	S	C	*	.			trans	-90.3	0	174.7	-68.4	0	0	0	0	112.6	N219	N219-V221 PolarHBondContact O-N 3.03Å

Retrieved 221 of 221 residues in 378.5 ms (Link to these results)

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