A0A060XCC0_ONCMY Loading...

Spindlin-Z

AlphaFold DB , UniProt , Accession A0A060XCC0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 261 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	29.1	Very low	31.4	Very low	247 Å²	247	153.5 Å²	153.5	100%	1.217	81%	0.811	S	S	*	*				0	156.9	0	-75.2	123.9	163.4	0	0	109.6
2	K	24.8	Very low	31.8	Very low	204 Å²	204	160.5 Å²	160.5	89%	0.887	82%	0.818	S	S	*	*			trans	-107.5	121.7	175.3	-74.1	-178.6	177.3	179	0	109.3
3	T	35.3	Very low	32.3	Very low	128 Å²	128	156.3 Å²	156.3	79%	0.785	81%	0.808	S	S	*	*			trans	-108	136.2	157.8	47.2	0	0	0	0	108.1
4	P	35.8	Very low	32	Very low	95 Å²	95	162.6 Å²	162.6	62%	0.617	82%	0.817	S	S	*	*			trans	-146.7	54.9	167.3	41.9	-24	0	0	0	115.5
5	F	34.2	Very low	31.7	Very low	142 Å²	142	158.3 Å²	158.3	62%	0.623	82%	0.816	S	S	*	*			trans	-124.8	81.2	169.9	-64.2	-60.1	0	0	0	112.7	D143	F5-D143 WeakPolarHBondContact CE1-OD2 3.14Å
6	G	34.1	Very low	31.4	Very low	55 Å²	55	158.8 Å²	158.8	57%	0.567	82%	0.82	S	S	*	*			trans	-123.6	95.9	171.4	0	0	0	0	0	110.9	R8	G6-R8 PolarHBondContact O-N 3.4Å
7	K	32.4	Very low	31.2	Very low	177 Å²	177	153.2 Å²	153.2	77%	0.77	81%	0.811	S	S	*	*			trans	-62.6	128.8	175.4	-70.2	177.9	178.8	173.1	0	109.9	E141	K7-E141 IonicContact NZ-OE2 2.82Å; K7-E141 PolarHBondContact NZ-OE2 3Å
8	R	28.5	Very low	30.9	Very low	238 Å²	238	149.3 Å²	149.3	90%	0.898	81%	0.813	S	S	*	*			trans	-111.5	126.1	175.8	-68.4	-173.7	-177.7	-170.7	1.4	111.5	G6	G6-R8 PolarHBondContact O-N 3.4Å
9	P	32.4	Very low	30.7	Very low	129 Å²	129	149.1 Å²	149.1	84%	0.838	81%	0.811	S	S	*	*			trans	-76.8	145.7	161	-7.7	24.8	0	0	0	111.2
10	G	30.1	Very low	30.5	Very low	79 Å²	79	149.3 Å²	149.3	81%	0.814	81%	0.81	S	S	*	*			trans	-80.4	-179.5	-167.6	0	0	0	0	0	117.6
11	Q	28.3	Very low	30.2	Very low	194 Å²	194	145.1 Å²	145.1	91%	0.907	80%	0.802	S	S	*	*			trans	-80	152	-172.6	-61.8	163.2	-36.1	0	0	113.4
12	R	37.1	Very low	30	Very low	238 Å²	238	140 Å²	140	90%	0.898	78%	0.784	S	S	*	*			trans	-83.3	161.8	150.8	-59.1	-177.6	-177.1	-179.5	0.7	109
13	P	38.2	Very low	30.1	Very low	106 Å²	106	135.6 Å²	135.6	69%	0.688	78%	0.779	S	S	*	*				-156.8	162.3	102.5	38.1	-20.1	0	0	0	118.3
14	R	27.8	Very low	29.5	Very low	245 Å²	245	133.2 Å²	133.2	93%	0.925	77%	0.772	S	S	*	*			trans	67.5	160.1	157.2	-69.4	164.4	-176.6	-169.1	-0.5	115.9
15	A	27.4	Very low	29	Very low	97 Å²	97	135.4 Å²	135.4	80%	0.802	78%	0.779	S	S	*	*			cis	-154.2	174.9	7.3	0	0	0	0	0	108.3
16	D	27.3	Very low	28.6	Very low	167 Å²	167	136.4 Å²	136.4	89%	0.893	79%	0.787	S	S	*	*			cis	-168.2	173	-18.6	-177.1	33.9	0	0	0	107.9
17	G	28	Very low	28.2	Very low	64 Å²	64	143.1 Å²	143.1	66%	0.66	81%	0.806	S	S	*	*			trans	164.1	116.9	170.5	0	0	0	0	0	116.7
18	G	24.8	Very low	28.1	Very low	82 Å²	82	144.6 Å²	144.6	85%	0.845	81%	0.812	S	S	*	*			trans	-79.4	-157	172.1	0	0	0	0	0	113.5
19	N	28.7	Very low	28	Very low	146 Å²	146	143 Å²	143	78%	0.781	81%	0.812	S	S	*	*			cis	-168.7	167.8	2.7	-175.8	15.1	0	0	0	107.3
20	I	26.2	Very low	27.8	Very low	153 Å²	153	145.5 Å²	145.5	79%	0.785	81%	0.81	S	S	*	*			trans	67.6	142.6	166.2	-38	179.1	0	0	0	115.5
21	G	24.1	Very low	27.7	Very low	62 Å²	62	148.9 Å²	148.9	64%	0.639	81%	0.809	S	S	*	*			cis	165.9	154.8	-11	0	0	0	0	0	113.4
22	V	24.7	Very low	27.8	Very low	139 Å²	139	144 Å²	144	84%	0.842	80%	0.796	S	S	*	*			trans	63.3	100.6	150	-166.8	0	0	0	0	121.5
23	S	27.3	Very low	27.8	Very low	111 Å²	111	141.5 Å²	141.5	78%	0.776	80%	0.795	S	S	*	*				56.5	129.2	125	-150.6	0	0	0	0	123.6
24	A	23	Very low	27.7	Very low	78 Å²	78	145.9 Å²	145.9	65%	0.645	80%	0.803	S	S	*	*				157	146.4	101.4	0	0	0	0	0	115.6
25	N	24.9	Very low	28.1	Very low	141 Å²	141	143.3 Å²	143.3	75%	0.754	80%	0.798	S	S	*	*			trans	63.1	109.6	152.3	-68.5	-8.4	0	0	0	120.1
26	M	24.7	Very low	28.3	Very low	164 Å²	164	147.5 Å²	147.5	81%	0.808	80%	0.801	S	S	*	*				92.7	111.2	75.9	-86.1	-177.5	63.7	0	0	113.8
27	M	27.3	Very low	28.9	Very low	195 Å²	195	147.9 Å²	147.9	96%	0.961	80%	0.795	S	S	*	*				-165.1	136.1	124.3	-105.3	176.3	-160.1	0	0	111.4
28	K	30.1	Very low	29.1	Very low	208 Å²	208	151.4 Å²	151.4	90%	0.904	80%	0.799	S	S	*	*			trans	-88.8	141.3	177.8	-69.1	168.2	176.8	166.5	0	109.8
29	K	26.4	Very low	29.8	Very low	206 Å²	206	154.9 Å²	154.9	90%	0.896	80%	0.798	S	S	*	*			trans	-134.8	105.6	148.9	-151.1	167.8	-172.2	174.7	0	110.4
30	K	27.7	Very low	30.5	Very low	180 Å²	180	154 Å²	154	78%	0.783	80%	0.798	S	S	*	*			trans	-101.3	128.3	176.5	-164.4	-175.3	-167.9	-176.9	0	106.4
31	N	28.3	Very low	31.3	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	79%	0.787	S	S	*	*			trans	-143.8	132.9	161.8	-104.4	-1.9	0	0	0	108.4
32	S	29.2	Very low	32.1	Very low	90 Å²	90	152.9 Å²	152.9	63%	0.629	80%	0.799	S	S	*	*			trans	-140.7	116.5	-167.4	55.2	0	0	0	0	110
33	H	37.6	Very low	33	Very low	187 Å²	187	151 Å²	151	87%	0.866	79%	0.792	S	S	*	*			trans	-126.2	155.1	166	-73.5	-70.5	0	0	0	111.1
34	K	36	Very low	33.9	Very low	198 Å²	198	154.7 Å²	154.7	86%	0.861	79%	0.794	S	S	*	*			trans	-89.8	142.2	-150.6	-74.2	166.5	172.6	170.1	0	113.5
35	K	37.2	Very low	34.7	Very low	191 Å²	191	156.9 Å²	156.9	83%	0.83	80%	0.802	S	S	*	*			trans	29.6	124.1	139.5	-65.5	-179.9	174.5	177.5	0	118.3
36	Q	30.1	Very low	35.4	Very low	185 Å²	185	157.7 Å²	157.7	86%	0.864	80%	0.804	S	S	*	*			trans	-123.5	125	131.9	-152.4	169.2	3.5	0	0	108.6
37	K	39.8	Very low	36.3	Very low	175 Å²	175	154.1 Å²	154.1	76%	0.761	80%	0.801	S	S	*	*			trans	-87.9	115.8	174.4	-98.2	-172.9	166.7	-168.9	0	107.6
38	N	33.6	Very low	36.9	Very low	138 Å²	138	152 Å²	152	74%	0.738	79%	0.788	S	S	*	*			trans	-111.8	117.6	157.3	-77.3	-0.3	0	0	0	108.1	V40	N38-V40 PolarHBondContact O-N 2.72Å
39	N	39.1	Very low	37.9	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	78%	0.78	S	S	*	*			trans	-71.1	120.1	169.3	-80.8	-4	0	0	0	108.2
40	V	42.8	Very low	39.7	Very low	128 Å²	128	146.4 Å²	146.4	78%	0.776	77%	0.771	S	S	*	*			trans	-120.9	134.6	155.9	-174.9	0	0	0	0	105.5	N38	N38-V40 PolarHBondContact O-N 2.72Å
41	G	42.7	Very low	42.1	Very low	54 Å²	54	147 Å²	147	56%	0.557	77%	0.768	S	S	*	*			trans	-63.9	-177.7	-179.9	0	0	0	0	0	112.4	S43	G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 2.96Å
42	P	41.4	Very low	45	Very low	137 Å²	137	145.1 Å²	145.1	89%	0.89	76%	0.758	S	S	*	*			trans	-63	92.3	178.6	27.1	-34.2	0	0	0	110.2	K44	P42-K44 PolarHBondContact O-N 3.11Å; P42-K44 VanDerWaalsContact O-N 3.11Å
43	S	43.2	Very low	48.2	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	73%	0.73	S	S	*	*			trans	-59.4	115.3	170	50.7	0	0	0	0	107	G41	G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 2.96Å
44	K	46.7	Very low	50.9	Low	188 Å²	188	134 Å²	134	82%	0.817	70%	0.699	S	S	*	*			trans	-43.4	133.1	165.6	-72.1	176.8	174.3	178.9	0	107.4	P42 I46	P42-K44 PolarHBondContact O-N 3.11Å; P42-K44 VanDerWaalsContact O-N 3.11Å; K44-I46 PolarHBondContact O-N 2.95Å
45	P	40.7	Very low	53.7	Low	124 Å²	124	125.4 Å²	125.4	81%	0.805	67%	0.667	S	S	*	*			trans	-54.9	119.1	174.7	23.6	-32.2	0	0	0	107.1	A47	P45-A47 PolarHBondContact O-N 2.94Å
46	I	39.9	Very low	56.4	Low	157 Å²	157	117 Å²	117	81%	0.805	63%	0.632	S	S	*	*			trans	-56	113.2	169.2	-67.2	172.8	0	0	0	104.1	K44 Q48	K44-I46 PolarHBondContact O-N 2.95Å; I46-Q48 PolarHBondContact O-N 3.43Å
47	A	41.8	Very low	59.6	Low	89 Å²	89	110 Å²	110	74%	0.736	60%	0.598	S	S	*	*			trans	-53.6	115.2	177.5	0	0	0	0	0	106.2	P45	P45-A47 PolarHBondContact O-N 2.94Å
48	Q	40.7	Very low	62.3	Low	150 Å²	150	101.7 Å²	101.7	70%	0.701	56%	0.561	S	S	*	*			trans	-54.4	131	-179.6	-71.2	-175.9	-3.1	0	0	106.8	I46 R50	I46-Q48 PolarHBondContact O-N 3.43Å; Q48-R50 PolarHBondContact O-N 2.92Å
49	P	50.3	Low	65.4	Low	113 Å²	113	95.6 Å²	95.6	73%	0.734	53%	0.529	S	S	*	.			trans	-52.9	123.4	175.5	22.3	-32.2	0	0	0	106.8	R51	P49-R51 PolarHBondContact O-N 3.03Å
50	R	64.8	Low	68.3	Low	184 Å²	184	88.3 Å²	88.3	69%	0.694	49%	0.49	S	S	*	.			trans	-50.8	114.4	-175.9	-74.9	-176.8	174.2	-177.3	-4	107	Q48 N52	Q48-R50 PolarHBondContact O-N 2.92Å; R50-N52 PolarHBondContact O-N 3.17Å
51	R	78.4	Confident	70.9	Confident	192 Å²	192	85.8 Å²	85.8	73%	0.725	47%	0.47	S	S	*	.			trans	-58.9	131.6	-178.5	-71.8	-178.8	175.7	179	-2	107.2	P49 I53	P49-R51 PolarHBondContact O-N 3.03Å; R51-I53 WeakPolarHBondContact O-CG2 3.2Å; R51-I53 PolarHBondContact O-N 2.86Å; R51-I53 VanDerWaalsContact O-N 3.12Å
52	N	90.1	Very high	73.5	Confident	112 Å²	112	84.3 Å²	84.3	60%	0.599	45%	0.447	S	S	*	.			trans	-61.4	118.6	169.1	-175.1	-3	0	0	0	107.7	R50 V54	R50-N52 PolarHBondContact O-N 3.17Å; N52-V54 WeakPolarHBondContact OD1-CB 3.47Å; N52-V54 WeakPolarHBondContact OD1-CG2 3.2Å; N52-V54 PolarHBondContact OD1-N 3.38Å
53	I	94.5	Very high	76.1	Confident	7 Å²	7	82 Å²	82	4%	0.036	42%	0.423	C	S	.	.			trans	-99.6	-4.5	179.8	61.5	174	0	0	0	112.9	R51 G55 C56 V75 Y86 L101 V112	R51-I53 WeakPolarHBondContact O-CG2 3.2Å; R51-I53 PolarHBondContact O-N 2.86Å; R51-I53 VanDerWaalsContact O-N 3.12Å; I53-G55 PolarHBondContact O-N 2.91Å; I53-C56 WeakPolarHBondContact O-CB 3.37Å; I53-C56 PolarHBondContact O-N 3.27Å; I53-V75 HydrophobicContact CD1-CG2 4.19Å; I53-V75 HydrophobicContact CG1-CG1 4.43Å; I53-V75 HydrophobicContact CG1-CG2 4.24Å; I53-V75 WeakPolarHBondContact O-CB 3.34Å; I53-Y86 HydrophobicContact CD1-CD1 4.24Å; I53-Y86 HydrophobicContact CD1-CD2 4.43Å; I53-Y86 HydrophobicContact CD1-CE1 3.85Å; I53-Y86 HydrophobicContact CD1-CE2 4.04Å; I53-Y86 HydrophobicContact CD1-CG 4.49Å; I53-Y86 HydrophobicContact CG1-CD1 4.14Å; I53-Y86 HydrophobicContact CG1-CE1 3.59Å; I53-L101 HydrophobicContact CD1-CD1 3.86Å; I53-V112 HydrophobicContact CG2-CG2 3.62Å
54	V	95.1	Very high	78.5	Confident	38 Å²	38	82 Å²	82	23%	0.23	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	134.6	174	-178.6	0	0	0	0	109.7	N52 C56 V75 Q78 I160	N52-V54 WeakPolarHBondContact OD1-CB 3.47Å; N52-V54 WeakPolarHBondContact OD1-CG2 3.2Å; N52-V54 PolarHBondContact OD1-N 3.38Å; V54-C56 PolarHBondContact O-N 2.86Å; V54-V75 HydrophobicContact CG2-CG1 4.2Å; V54-Q78 HydrophobicContact CG2-CB 3.71Å; V54-I160 HydrophobicContact CG1-CD1 4.27Å; V54-I160 HydrophobicContact CG1-CG1 4.48Å
55	G	94.2	Very high	80.4	Confident	17 Å²	17	80.1 Å²	80.1	18%	0.175	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-7.7	-172.8	0	0	0	0	0	115.1	I53 V75	I53-G55 PolarHBondContact O-N 2.91Å; G55-V75 PolarHBondContact N-O 2.78Å
56	C	95.1	Very high	82.7	Confident	14 Å²	14	79.7 Å²	79.7	10%	0.095	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	151.2	177.6	-62.2	0	0	0	0	111.9	I53 V54 V75 V112	I53-C56 WeakPolarHBondContact O-CB 3.37Å; I53-C56 PolarHBondContact O-N 3.27Å; V54-C56 PolarHBondContact O-N 2.86Å; C56-V75 PolarHBondContact O-N 3.14Å; C56-V75 VanDerWaalsContact O-N 3.09Å; C56-V112 HydrophobicContact CB-CG1 3.76Å
57	R	96.8	Very high	85.3	Confident	39 Å²	39	80.1 Å²	80.1	15%	0.147	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.3	163.1	-64.7	-72.1	-64.2	165.2	2.8	109.3	G73 T74 D91 L113 D115	R57-G73 CarbonylContact C-O 3.6Å; R57-G73 WeakPolarHBondContact CA-O 3.32Å; R57-G73 PolarHBondContact NH1-O 2.8Å; R57-T74 VanDerWaalsContact CD-OG1 3.26Å; R57-T74 WeakPolarHBondContact CD-OG1 3.26Å; R57-T74 PolarHBondContact NH1-OG1 3.38Å; R57-D91 IonicContact CZ-OD1 3.72Å; R57-D91 IonicContact CZ-OD2 3.67Å; R57-D91 IonicContact NH1-OD1 2.61Å; R57-D91 PolarHBondContact NH1-OD1 2.85Å; R57-D91 IonicContact NH2-OD1 2.64Å; R57-D91 PolarHBondContact NH2-OD1 3.2Å; R57-D91 IonicContact NH2-OD2 2.83Å; R57-D91 PolarHBondContact NH2-OD2 2.9Å; R57-L113 HydrophobicContact CB-CB 3.91Å; R57-L113 HydrophobicContact CB-CD1 4.21Å; R57-L113 PolarHBondContact O-N 3.36Å; R57-D115 HydrophobicContact CB-CB 4.41Å; R57-D115 WeakPolarHBondContact CB-O 3.26Å; R57-D115 HydrophobicContact CG-CB 4.12Å; R57-D115 WeakPolarHBondContact CG-O 3.42Å
58	I	97.6	Very high	87.9	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.6	179	57.4	164.7	0	0	0	111	K72 G73 V75 I88 L101 L110 E111 V112	I58-K72 WeakPolarHBondContact O-CA 3.39Å; I58-G73 PolarHBondContact N-O 2.71Å; I58-G73 PolarHBondContact O-N 2.73Å; I58-G73 VanDerWaalsContact O-N 3.1Å; I58-V75 HydrophobicContact CD1-CG2 3.77Å; I58-V75 HydrophobicContact CG1-CG2 4.08Å; I58-V75 HydrophobicContact CG2-CG2 3.9Å; I58-I88 HydrophobicContact CD1-CD1 4.41Å; I58-I88 HydrophobicContact CD1-CG2 4.41Å; I58-L101 HydrophobicContact CD1-CD1 3.81Å; I58-L101 HydrophobicContact CD1-CD2 4.38Å; I58-L110 HydrophobicContact CB-CD1 4.17Å; I58-L110 HydrophobicContact CD1-CD1 4.15Å; I58-L110 HydrophobicContact CG2-CD1 4.42Å; I58-E111 CarbonylContact C-O 3.6Å; I58-E111 WeakPolarHBondContact CA-O 3.46Å; I58-V112 HydrophobicContact CG2-CG2 4.46Å
59	T	98.4	Very high	90.6	Very high	9 Å²	9	74.9 Å²	74.9	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.5	165.8	-170.9	0	0	0	0	108.9	Q70 W71 E111 L113	T59-Q70 PolarHBondContact OG1-NE2 2.86Å; T59-W71 VanDerWaalsContact CA-O 3.25Å; T59-W71 WeakPolarHBondContact CA-O 3.33Å; T59-W71 PolarHBondContact OG1-O 3.18Å; T59-E111 HydrophobicContact CG2-CB 3.82Å; T59-E111 PolarHBondContact N-O 2.95Å; T59-E111 PolarHBondContact O-N 3.04Å; T59-L113 HydrophobicContact CG2-CD2 3.7Å; T59-L113 HydrophobicContact CG2-CG 4.2Å
60	H	98.5	Very high	92.8	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167	171.9	65	91.7	0	0	0	110.1	Q70 W71 Y90 V107 L110	H60-Q70 PolarHBondContact O-NE2 3.46Å; H60-W71 PolarHBondContact N-O 2.86Å; H60-W71 PolarHBondContact O-N 3.32Å; H60-Y90 PolarHBondContact CE1-OH 2.82Å; H60-Y90 AromaticContact NE2-CE1 3.42Å; H60-Y90 WeakPolarHBondContact NE2-CE1 3.4Å; H60-Y90 AromaticContact NE2-CZ 3.51Å; H60-Y90 PolarHBondContact NE2-OH 3.08Å; H60-V107 HydrophobicContact CB-CG1 4.08Å; H60-L110 HydrophobicContact CB-CB 4.32Å; H60-L110 HydrophobicContact CB-CD1 4.07Å
61	Q	98.1	Very high	94.4	Very high	76 Å²	76	68.9 Å²	68.9	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	143.2	164.5	-69.8	176.2	-8.8	0	0	109.6	V68 S69 Q70 Q108	Q61-V68 HydrophobicContact CB-CG1 3.86Å; Q61-V68 HydrophobicContact CG-CG1 3.93Å; Q61-S69 CarbonylContact C-O 3.48Å; Q61-S69 WeakPolarHBondContact CA-O 3.49Å; Q61-Q70 VanDerWaalsContact CG-OE1 3.22Å; Q61-Q108 HydrophobicContact CB-CB 4.22Å; Q61-Q108 WeakPolarHBondContact CB-O 3.19Å; Q61-Q108 PolarHBondContact N-O 2.88Å; Q61-Q108 PolarHBondContact O-N 3.04Å
62	W	97.9	Very high	95.4	Very high	22 Å²	22	64.7 Å²	64.7	8%	0.083	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.7	163.9	-176.7	-101.9	0	0	0	108.1	V68 S69 W71 L99 R106 V107 F250	W62-V68 WeakPolarHBondContact O-CA 3.38Å; W62-S69 PolarHBondContact N-O 2.99Å; W62-S69 PolarHBondContact O-N 3.33Å; W62-S69 PolarHBondContact O-OG 3.12Å; W62-W71 VanDerWaalsContact CB-CD1 3.42Å; W62-W71 HydrophobicContact CB-CG 4.47Å; W62-L99 HydrophobicContact CH2-CD2 3.94Å; W62-L99 HydrophobicContact CZ3-CD1 3.9Å; W62-L99 HydrophobicContact CZ3-CD2 3.91Å; W62-R106 CarbonylContact C-O 3.54Å; W62-R106 WeakPolarHBondContact CA-O 3.06Å; W62-R106 HydrophobicContact CD2-CB 4.05Å; W62-R106 HydrophobicContact CE3-CB 3.84Å; W62-R106 HydrophobicContact CH2-CB 4.02Å; W62-R106 VanDerWaalsContact CH2-NE 3.26Å; W62-R106 HydrophobicContact CZ2-CB 4.18Å; W62-R106 HydrophobicContact CZ3-CB 3.82Å; W62-V107 HydrophobicContact CE3-CG2 4.01Å; W62-V107 HydrophobicContact CZ3-CG2 3.88Å; W62-F250 HydrophobicContact CH2-CD1 4.32Å; W62-F250 HydrophobicContact CZ2-CD1 4.19Å; W62-F250 HydrophobicContact CZ2-CE1 4.35Å
63	K	96.3	Very high	95.7	Very high	89 Å²	89	59.3 Å²	59.3	39%	0.387	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.9	177.2	-176	-175.1	177.4	-168.6	0	109.7	D65 K67 V68 R106	K63-D65 VanDerWaalsContact CE-O 3.28Å; K63-D65 WeakPolarHBondContact CE-O 3.25Å; K63-K67 WeakPolarHBondContact CA-O 3.27Å; K63-V68 HydrophobicContact CB-CG2 4.42Å; K63-V68 HydrophobicContact CG-CG2 4.19Å; K63-R106 PolarHBondContact N-O 2.99Å; K63-R106 WeakPolarHBondContact O-CB 2.84Å; K63-R106 WeakPolarHBondContact O-CG 3.37Å
64	E	92.3	Very high	95.8	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.472	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.5	173.6	-167.2	161.8	-118.4	0	0	107.8	S66 K67	E64-S66 PolarHBondContact O-N 3.29Å; E64-S66 VanDerWaalsContact O-N 3.14Å; E64-K67 PolarHBondContact N-O 3.09Å; E64-K67 PolarHBondContact O-N 3.16Å
65	D	88.1	Confident	95.9	Very high	149 Å²	149	57.4 Å²	57.4	80%	0.797	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	-113.2	-166.6	-55.9	-39	0	0	0	113	K63	K63-D65 VanDerWaalsContact CE-O 3.28Å; K63-D65 WeakPolarHBondContact CE-O 3.25Å
66	S	87.9	Confident	96.1	Very high	115 Å²	115	56.7 Å²	56.7	80%	0.804	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.1	178	58.1	0	0	0	0	113.6	E64	E64-S66 PolarHBondContact O-N 3.29Å; E64-S66 VanDerWaalsContact O-N 3.14Å
67	K	94.2	Very high	96.1	Very high	165 Å²	165	58.6 Å²	58.6	72%	0.717	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.5	-178.5	-63	176.9	-173.8	167.4	0	110.1	K63 E64	K63-K67 WeakPolarHBondContact CA-O 3.27Å; E64-K67 PolarHBondContact N-O 3.09Å; E64-K67 PolarHBondContact O-N 3.16Å
68	V	96.1	Very high	96.1	Very high	83 Å²	83	59.7 Å²	59.7	50%	0.503	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.8	172.8	-177.4	0	0	0	0	108.3	Q61 W62 K63	Q61-V68 HydrophobicContact CB-CG1 3.86Å; Q61-V68 HydrophobicContact CG-CG1 3.93Å; W62-V68 WeakPolarHBondContact O-CA 3.38Å; K63-V68 HydrophobicContact CB-CG2 4.42Å; K63-V68 HydrophobicContact CG-CG2 4.19Å
69	S	97.1	Very high	96.1	Very high	47 Å²	47	59.9 Å²	59.9	33%	0.329	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.8	178.4	48.8	0	0	0	0	109.8	Q61 W62 W71	Q61-S69 CarbonylContact C-O 3.48Å; Q61-S69 WeakPolarHBondContact CA-O 3.49Å; W62-S69 PolarHBondContact N-O 2.99Å; W62-S69 PolarHBondContact O-N 3.33Å; W62-S69 PolarHBondContact O-OG 3.12Å; S69-W71 PolarHBondContact OG-NE1 3.45Å
70	Q	97.9	Very high	96	Very high	109 Å²	109	64.5 Å²	64.5	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.1	179.3	-169.1	73.5	37	0	0	109.7	T59 H60 Q61	T59-Q70 PolarHBondContact OG1-NE2 2.86Å; H60-Q70 PolarHBondContact O-NE2 3.46Å; Q61-Q70 VanDerWaalsContact CG-OE1 3.22Å
71	W	98.4	Very high	96	Very high	61 Å²	61	67.2 Å²	67.2	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.7	-178.6	-65.9	79.2	0	0	0	110.9	T59 H60 W62 S69 Y90 F93	T59-W71 VanDerWaalsContact CA-O 3.25Å; T59-W71 WeakPolarHBondContact CA-O 3.33Å; T59-W71 PolarHBondContact OG1-O 3.18Å; H60-W71 PolarHBondContact N-O 2.86Å; H60-W71 PolarHBondContact O-N 3.32Å; W62-W71 VanDerWaalsContact CB-CD1 3.42Å; W62-W71 HydrophobicContact CB-CG 4.47Å; S69-W71 PolarHBondContact OG-NE1 3.45Å; W71-Y90 HydrophobicContact CB-CD1 4.01Å; W71-Y90 HydrophobicContact CB-CE1 3.79Å; W71-Y90 AromaticContact CE3-CD1 3.94Å; W71-Y90 HydrophobicContact CE3-CD1 3.94Å; W71-Y90 HydrophobicContact CE3-CD2 4.25Å; W71-Y90 HydrophobicContact CE3-CE1 4.41Å; W71-Y90 AromaticContact CE3-CG 3.86Å; W71-Y90 HydrophobicContact CE3-CG 3.86Å; W71-Y90 HydrophobicContact CZ3-CG 4.42Å; W71-F93 HydrophobicContact CE3-CD2 4.43Å; W71-F93 HydrophobicContact CE3-CE2 4.15Å; W71-F93 HydrophobicContact CH2-CD2 4.45Å; W71-F93 AromaticContact CH2-CE1 3.97Å; W71-F93 HydrophobicContact CH2-CE1 3.97Å; W71-F93 AromaticContact CH2-CE2 3.78Å; W71-F93 HydrophobicContact CH2-CE2 3.78Å; W71-F93 AromaticContact CH2-CZ 3.5Å; W71-F93 HydrophobicContact CH2-CZ 3.5Å; W71-F93 VanDerWaalsContact CH2-CZ 3.5Å; W71-F93 HydrophobicContact CZ3-CD1 4.39Å; W71-F93 AromaticContact CZ3-CD2 3.65Å; W71-F93 HydrophobicContact CZ3-CD2 3.65Å; W71-F93 HydrophobicContact CZ3-CE1 4.08Å; W71-F93 AromaticContact CZ3-CE2 3.3Å; W71-F93 HydrophobicContact CZ3-CE2 3.3Å; W71-F93 HydrophobicContact CZ3-CG 4.2Å; W71-F93 AromaticContact CZ3-CZ 3.54Å; W71-F93 HydrophobicContact CZ3-CZ 3.54Å
72	K	98.2	Very high	95.9	Very high	104 Å²	104	65 Å²	65	45%	0.452	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.6	174.8	-72.6	-174.7	177	-174.8	0	109.3	I58 Y90 D91 L113	I58-K72 WeakPolarHBondContact O-CA 3.39Å; K72-Y90 WeakPolarHBondContact O-CD1 3.34Å; K72-D91 VanDerWaalsContact CB-OD2 3.27Å; K72-D91 WeakPolarHBondContact CB-OD2 3.43Å; K72-D91 PolarHBondContact O-N 2.92Å; K72-L113 HydrophobicContact CD-CD1 4.46Å
73	G	97.2	Very high	95.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	178.2	-175.1	0	0	0	0	0	113.3	R57 I58 K89	R57-G73 CarbonylContact C-O 3.6Å; R57-G73 WeakPolarHBondContact CA-O 3.32Å; R57-G73 PolarHBondContact NH1-O 2.8Å; I58-G73 PolarHBondContact N-O 2.71Å; I58-G73 PolarHBondContact O-N 2.73Å; I58-G73 VanDerWaalsContact O-N 3.1Å; G73-K89 CarbonylContact C-O 3.51Å; G73-K89 WeakPolarHBondContact CA-O 3.38Å
74	T	97.3	Very high	95.9	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.3	176.1	-57.8	0	0	0	0	108.6	R57 L76 I88 K89 V117 I160 M161	R57-T74 VanDerWaalsContact CD-OG1 3.26Å; R57-T74 WeakPolarHBondContact CD-OG1 3.26Å; R57-T74 PolarHBondContact NH1-OG1 3.38Å; T74-L76 HydrophobicContact CG2-CD2 4.05Å; T74-L76 PolarHBondContact O-N 2.98Å; T74-I88 WeakPolarHBondContact O-CA 3.23Å; T74-K89 PolarHBondContact N-O 3.1Å; T74-K89 PolarHBondContact O-N 3.06Å; T74-V117 HydrophobicContact CG2-CG2 3.52Å; T74-I160 HydrophobicContact CG2-CG2 3.99Å; T74-M161 HydrophobicContact CG2-SD 4.13Å
75	V	97.3	Very high	96.2	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.3	169	-176	0	0	0	0	108.5	I53 V54 G55 C56 I58 Y86 L101	I53-V75 HydrophobicContact CD1-CG2 4.19Å; I53-V75 HydrophobicContact CG1-CG1 4.43Å; I53-V75 HydrophobicContact CG1-CG2 4.24Å; I53-V75 WeakPolarHBondContact O-CB 3.34Å; V54-V75 HydrophobicContact CG2-CG1 4.2Å; G55-V75 PolarHBondContact N-O 2.78Å; C56-V75 PolarHBondContact O-N 3.14Å; C56-V75 VanDerWaalsContact O-N 3.09Å; I58-V75 HydrophobicContact CD1-CG2 3.77Å; I58-V75 HydrophobicContact CG1-CG2 4.08Å; I58-V75 HydrophobicContact CG2-CG2 3.9Å; V75-Y86 HydrophobicContact CG1-CD1 3.79Å; V75-Y86 HydrophobicContact CG1-CG 4.32Å; V75-L101 HydrophobicContact CG2-CD1 4.39Å
76	L	96.5	Very high	96.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-41	-177.3	-58.8	-178.7	0	0	0	112.3	T74 L87 K89 I96 I160 M161 Y166 M177	T74-L76 HydrophobicContact CG2-CD2 4.05Å; T74-L76 PolarHBondContact O-N 2.98Å; L76-L87 HydrophobicContact CB-CB 4.41Å; L76-L87 PolarHBondContact N-O 2.85Å; L76-K89 HydrophobicContact CD1-CB 4.15Å; L76-K89 HydrophobicContact CD2-CB 4.39Å; L76-K89 HydrophobicContact CG-CB 4.39Å; L76-I96 HydrophobicContact CD1-CD1 3.51Å; L76-I96 HydrophobicContact CD1-CG1 4.29Å; L76-I96 HydrophobicContact CD1-CG2 4.42Å; L76-I160 HydrophobicContact CD2-CB 4.33Å; L76-I160 VanDerWaalsContact O-CG1 3.23Å; L76-I160 WeakPolarHBondContact O-CG1 3.43Å; L76-M161 HydrophobicContact CD2-CG 4.31Å; L76-M161 HydrophobicContact CD2-SD 4.07Å; L76-Y166 HydrophobicContact CD1-CE1 3.99Å; L76-M177 HydrophobicContact CD1-SD 3.8Å; L76-M177 HydrophobicContact CD2-SD 4.47Å
77	D	96.5	Very high	97.2	Very high	54 Å²	54	48 Å²	48	29%	0.289	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163.9	-174.6	-169.4	26.8	0	0	0	112	Y86 L87	D77-Y86 WeakPolarHBondContact O-CA 3.44Å; D77-L87 HydrophobicContact CB-CB 4.22Å; D77-L87 HydrophobicContact CB-CD1 4.21Å; D77-L87 HydrophobicContact CB-CG 4.27Å; D77-L87 PolarHBondContact O-N 2.85Å
78	Q	97.3	Very high	97.4	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	113.7	170.7	-179.8	178	25.1	0	0	108.7	V54 P80 P83 Y86	V54-Q78 HydrophobicContact CG2-CB 3.71Å; Q78-P80 WeakPolarHBondContact O-CD 3.38Å; Q78-P83 PolarHBondContact NE2-O 2.81Å; Q78-Y86 HydrophobicContact CB-CD1 3.87Å; Q78-Y86 HydrophobicContact CB-CE1 3.91Å; Q78-Y86 HydrophobicContact CG-CD1 4.03Å; Q78-Y86 HydrophobicContact CG-CE1 3.77Å
79	V	97.3	Very high	97.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	20%	0.198	C	C	.	.			trans	-63.7	121.7	-167.3	173.8	0	0	0	0	111.4	V81 N82 L85 L87 I232	V79-V81 HydrophobicContact CG1-CG2 3.65Å; V79-V81 PolarHBondContact O-N 3.28Å; V79-N82 CarbonylContact O-C 3.51Å; V79-N82 PolarHBondContact O-N 2.95Å; V79-N82 VanDerWaalsContact O-N 3.09Å; V79-L85 HydrophobicContact CB-CB 4.25Å; V79-L85 HydrophobicContact CB-CD2 4.2Å; V79-L85 HydrophobicContact CB-CG 4.35Å; V79-L85 HydrophobicContact CG1-CD2 4.43Å; V79-L85 HydrophobicContact CG2-CB 4.31Å; V79-L85 HydrophobicContact CG2-CD2 3.81Å; V79-L85 HydrophobicContact CG2-CG 3.9Å; V79-L85 PolarHBondContact N-O 2.84Å; V79-L87 HydrophobicContact CG2-CD2 4.11Å; V79-L87 HydrophobicContact CG2-CG 4.18Å; V79-I232 HydrophobicContact CG1-CB 3.7Å; V79-I232 HydrophobicContact CG1-CG2 3.84Å; V79-I232 HydrophobicContact CG2-CB 4.46Å; V79-I232 HydrophobicContact CG2-CD1 4.17Å
80	P	96.6	Very high	97.5	Very high	106 Å²	106	34.8 Å²	34.8	69%	0.688	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-38.2	-174.6	-27.7	35.7	0	0	0	114.6	Q78 N82	Q78-P80 WeakPolarHBondContact O-CD 3.38Å; P80-N82 VanDerWaalsContact C-N 3.3Å; P80-N82 PolarHBondContact O-N 2.78Å
81	V	97.3	Very high	97.4	Very high	58 Å²	58	33.3 Å²	33.3	35%	0.352	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-14	179	-65	0	0	0	0	113.8	V79 V213 M230 I232	V79-V81 HydrophobicContact CG1-CG2 3.65Å; V79-V81 PolarHBondContact O-N 3.28Å; V81-V213 HydrophobicContact CG1-CG1 3.66Å; V81-V213 HydrophobicContact CG2-CG1 4.45Å; V81-M230 HydrophobicContact CB-SD 4.25Å; V81-M230 HydrophobicContact CG2-SD 3.75Å; V81-I232 HydrophobicContact CG2-CB 4.5Å; V81-I232 HydrophobicContact CG2-CG2 4.37Å
82	N	97.3	Very high	97.3	Very high	31 Å²	31	33.2 Å²	33.2	17%	0.166	20%	0.198	C	C	.	.			trans	-144.6	86.6	169.6	-179.7	0.5	0	0	0	110.1	V79 P80 S84 L85 E100 M230	V79-N82 CarbonylContact O-C 3.51Å; V79-N82 PolarHBondContact O-N 2.95Å; V79-N82 VanDerWaalsContact O-N 3.09Å; P80-N82 VanDerWaalsContact C-N 3.3Å; P80-N82 PolarHBondContact O-N 2.78Å; N82-S84 PolarHBondContact O-N 3.43Å; N82-S84 WeakPolarHBondContact OD1-CB 3.42Å; N82-S84 PolarHBondContact OD1-N 2.78Å; N82-S84 VanDerWaalsContact OD1-N 3.13Å; N82-L85 HydrophobicContact CB-CB 4.21Å; N82-L85 WeakPolarHBondContact O-CB 3.1Å; N82-L85 PolarHBondContact O-N 3.37Å; N82-E100 PolarHBondContact ND2-OE1 3.06Å; N82-E100 PolarHBondContact OD1-OE1 3.14Å; N82-M230 HydrophobicContact CB-CE 4.37Å; N82-M230 HydrophobicContact CB-SD 4.28Å
83	P	96.6	Very high	97.3	Very high	76 Å²	76	31.9 Å²	31.9	49%	0.494	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	2	-178.2	-24.5	35.4	0	0	0	115.4	Q78	Q78-P83 PolarHBondContact NE2-O 2.81Å
84	S	96.9	Very high	97.3	Very high	27 Å²	27	34.4 Å²	34.4	19%	0.189	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.8	169.1	-53.4	0	0	0	0	112.4	N82 Y86 E100 K103	N82-S84 PolarHBondContact O-N 3.43Å; N82-S84 WeakPolarHBondContact OD1-CB 3.42Å; N82-S84 PolarHBondContact OD1-N 2.78Å; N82-S84 VanDerWaalsContact OD1-N 3.13Å; S84-Y86 WeakPolarHBondContact O-CD2 3.43Å; S84-E100 VanDerWaalsContact O-CA 3.28Å; S84-E100 WeakPolarHBondContact O-CA 3.42Å; S84-K103 VanDerWaalsContact CB-NZ 3.31Å; S84-K103 VanDerWaalsContact OG-CE 3.22Å; S84-K103 WeakPolarHBondContact OG-CE 3.28Å; S84-K103 PolarHBondContact OG-NZ 3.44Å
85	L	98.3	Very high	97.3	Very high	4 Å²	4	35 Å²	35	2%	0.021	21%	0.21	C	C	.	.			trans	-87.9	124.9	-174.5	179.6	64.7	0	0	0	110.8	V79 N82 E100 I232 K245	V79-L85 HydrophobicContact CB-CB 4.25Å; V79-L85 HydrophobicContact CB-CD2 4.2Å; V79-L85 HydrophobicContact CB-CG 4.35Å; V79-L85 HydrophobicContact CG1-CD2 4.43Å; V79-L85 HydrophobicContact CG2-CB 4.31Å; V79-L85 HydrophobicContact CG2-CD2 3.81Å; V79-L85 HydrophobicContact CG2-CG 3.9Å; V79-L85 PolarHBondContact N-O 2.84Å; N82-L85 HydrophobicContact CB-CB 4.21Å; N82-L85 WeakPolarHBondContact O-CB 3.1Å; N82-L85 PolarHBondContact O-N 3.37Å; L85-E100 HydrophobicContact CB-CG 4.42Å; L85-I232 HydrophobicContact CD2-CG2 4.08Å; L85-K245 HydrophobicContact CD1-CD 4.5Å; L85-K245 HydrophobicContact CD1-CG 4.39Å; L85-K245 HydrophobicContact CD2-CB 4.1Å; L85-K245 HydrophobicContact CD2-CG 3.85Å
86	Y	98.4	Very high	97.3	Very high	5 Å²	5	35 Å²	35	2%	0.02	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.9	175.7	-63.6	-84.4	0	0	0	110.6	I53 V75 D77 Q78 S84 G98 L99 L101 H102	I53-Y86 HydrophobicContact CD1-CD1 4.24Å; I53-Y86 HydrophobicContact CD1-CD2 4.43Å; I53-Y86 HydrophobicContact CD1-CE1 3.85Å; I53-Y86 HydrophobicContact CD1-CE2 4.04Å; I53-Y86 HydrophobicContact CD1-CG 4.49Å; I53-Y86 HydrophobicContact CG1-CD1 4.14Å; I53-Y86 HydrophobicContact CG1-CE1 3.59Å; V75-Y86 HydrophobicContact CG1-CD1 3.79Å; V75-Y86 HydrophobicContact CG1-CG 4.32Å; D77-Y86 WeakPolarHBondContact O-CA 3.44Å; Q78-Y86 HydrophobicContact CB-CD1 3.87Å; Q78-Y86 HydrophobicContact CB-CE1 3.91Å; Q78-Y86 HydrophobicContact CG-CD1 4.03Å; Q78-Y86 HydrophobicContact CG-CE1 3.77Å; S84-Y86 WeakPolarHBondContact O-CD2 3.43Å; Y86-G98 WeakPolarHBondContact O-CA 3.22Å; Y86-L99 PolarHBondContact N-O 3.4Å; Y86-L99 PolarHBondContact O-N 3.43Å; Y86-L101 HydrophobicContact CD2-CB 3.84Å; Y86-L101 HydrophobicContact CD2-CD1 3.79Å; Y86-L101 HydrophobicContact CD2-CG 3.96Å; Y86-L101 HydrophobicContact CE2-CB 4.14Å; Y86-L101 HydrophobicContact CE2-CD1 4.43Å; Y86-L101 HydrophobicContact CG-CD1 4.03Å; Y86-H102 AromaticContact CE2-CD2 3.92Å; Y86-H102 PolarHBondContact OH-NE2 3.31Å
87	L	98.5	Very high	97.4	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.4	170.6	-56.5	-169.5	0	0	0	109.9	L76 D77 V79 I96 Y97 I232 I252	L76-L87 HydrophobicContact CB-CB 4.41Å; L76-L87 PolarHBondContact N-O 2.85Å; D77-L87 HydrophobicContact CB-CB 4.22Å; D77-L87 HydrophobicContact CB-CD1 4.21Å; D77-L87 HydrophobicContact CB-CG 4.27Å; D77-L87 PolarHBondContact O-N 2.85Å; V79-L87 HydrophobicContact CG2-CD2 4.11Å; V79-L87 HydrophobicContact CG2-CG 4.18Å; L87-I96 HydrophobicContact CB-CG2 4.04Å; L87-Y97 CarbonylContact C-O 3.57Å; L87-Y97 WeakPolarHBondContact CA-O 3.44Å; L87-I232 HydrophobicContact CD2-CD1 4.24Å; L87-I252 HydrophobicContact CD2-CD1 3.69Å; L87-I252 HydrophobicContact CD2-CG1 3.77Å
88	I	98.3	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.7	-167.6	-51	164	0	0	0	110.3	I58 T74 Y90 Y97 L99 L101	I58-I88 HydrophobicContact CD1-CD1 4.41Å; I58-I88 HydrophobicContact CD1-CG2 4.41Å; T74-I88 WeakPolarHBondContact O-CA 3.23Å; I88-Y90 HydrophobicContact CB-CE2 4.32Å; I88-Y90 HydrophobicContact CG2-CD1 4.18Å; I88-Y90 HydrophobicContact CG2-CD2 4.25Å; I88-Y90 HydrophobicContact CG2-CE1 3.9Å; I88-Y90 HydrophobicContact CG2-CE2 3.97Å; I88-Y90 HydrophobicContact CG2-CG 4.34Å; I88-Y97 PolarHBondContact N-O 3.29Å; I88-Y97 PolarHBondContact O-N 2.83Å; I88-L99 HydrophobicContact CD1-CB 4.1Å; I88-L99 HydrophobicContact CD1-CD1 4.24Å; I88-L99 HydrophobicContact CD1-CG 4.44Å; I88-L101 HydrophobicContact CD1-CD1 3.85Å; I88-L101 HydrophobicContact CD1-CD2 3.73Å; I88-L101 HydrophobicContact CD1-CG 3.89Å
89	K	97.9	Very high	97.5	Very high	11 Å²	11	31 Å²	31	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.8	162.9	-177.4	70.6	158.1	75.7	0	108.3	G73 T74 L76 F93 D94 I96 M177	G73-K89 CarbonylContact C-O 3.51Å; G73-K89 WeakPolarHBondContact CA-O 3.38Å; T74-K89 PolarHBondContact N-O 3.1Å; T74-K89 PolarHBondContact O-N 3.06Å; L76-K89 HydrophobicContact CD1-CB 4.15Å; L76-K89 HydrophobicContact CD2-CB 4.39Å; L76-K89 HydrophobicContact CG-CB 4.39Å; K89-F93 WeakPolarHBondContact CD-O 3.28Å; K89-F93 WeakPolarHBondContact CE-O 3.36Å; K89-F93 PolarHBondContact NZ-O 3.07Å; K89-D94 IonicContact NZ-OD1 3.38Å; K89-D94 PolarHBondContact NZ-OD1 3.37Å; K89-I96 HydrophobicContact CB-CD1 3.98Å; K89-I96 HydrophobicContact CD-CD1 3.8Å; K89-I96 HydrophobicContact CG-CD1 4.47Å; K89-M177 HydrophobicContact CB-CE 4.1Å; K89-M177 HydrophobicContact CD-CB 4.29Å; K89-M177 HydrophobicContact CD-CE 3.98Å; K89-M177 VanDerWaalsContact CE-O 3.26Å; K89-M177 WeakPolarHBondContact CE-O 3.4Å; K89-M177 HydrophobicContact CG-CE 3.79Å
90	Y	98.1	Very high	97.6	Very high	7 Å²	7	33.4 Å²	33.4	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	153.2	173.7	-72.3	-70.2	0	0	0	111.9	H60 W71 K72 I88 G92 F93 Y97 L99	H60-Y90 PolarHBondContact CE1-OH 2.82Å; H60-Y90 AromaticContact NE2-CE1 3.42Å; H60-Y90 WeakPolarHBondContact NE2-CE1 3.4Å; H60-Y90 AromaticContact NE2-CZ 3.51Å; H60-Y90 PolarHBondContact NE2-OH 3.08Å; W71-Y90 HydrophobicContact CB-CD1 4.01Å; W71-Y90 HydrophobicContact CB-CE1 3.79Å; W71-Y90 AromaticContact CE3-CD1 3.94Å; W71-Y90 HydrophobicContact CE3-CD1 3.94Å; W71-Y90 HydrophobicContact CE3-CD2 4.25Å; W71-Y90 HydrophobicContact CE3-CE1 4.41Å; W71-Y90 AromaticContact CE3-CG 3.86Å; W71-Y90 HydrophobicContact CE3-CG 3.86Å; W71-Y90 HydrophobicContact CZ3-CG 4.42Å; K72-Y90 WeakPolarHBondContact O-CD1 3.34Å; I88-Y90 HydrophobicContact CB-CE2 4.32Å; I88-Y90 HydrophobicContact CG2-CD1 4.18Å; I88-Y90 HydrophobicContact CG2-CD2 4.25Å; I88-Y90 HydrophobicContact CG2-CE1 3.9Å; I88-Y90 HydrophobicContact CG2-CE2 3.97Å; I88-Y90 HydrophobicContact CG2-CG 4.34Å; Y90-G92 PolarHBondContact O-N 2.86Å; Y90-F93 PolarHBondContact O-N 3.04Å; Y90-Y97 AromaticContact CD2-CD2 3.54Å; Y90-Y97 HydrophobicContact CD2-CD2 3.54Å; Y90-Y97 HydrophobicContact CD2-CE2 4.05Å; Y90-Y97 AromaticContact CD2-CG 3.81Å; Y90-Y97 HydrophobicContact CD2-CG 3.81Å; Y90-Y97 HydrophobicContact CE2-CD1 4.43Å; Y90-Y97 HydrophobicContact CE2-CD2 4.06Å; Y90-Y97 AromaticContact CE2-CG 3.84Å; Y90-Y97 HydrophobicContact CE2-CG 3.84Å; Y90-L99 WeakPolarHBondContact OH-CD1 3.42Å
91	D	96.4	Very high	97.6	Very high	77 Å²	77	28.6 Å²	28.6	41%	0.412	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	119.1	179.3	-64.8	-8.9	0	0	0	110.8	R57 K72 F93	R57-D91 IonicContact CZ-OD1 3.72Å; R57-D91 IonicContact CZ-OD2 3.67Å; R57-D91 IonicContact NH1-OD1 2.61Å; R57-D91 PolarHBondContact NH1-OD1 2.85Å; R57-D91 IonicContact NH2-OD1 2.64Å; R57-D91 PolarHBondContact NH2-OD1 3.2Å; R57-D91 IonicContact NH2-OD2 2.83Å; R57-D91 PolarHBondContact NH2-OD2 2.9Å; K72-D91 VanDerWaalsContact CB-OD2 3.27Å; K72-D91 WeakPolarHBondContact CB-OD2 3.43Å; K72-D91 PolarHBondContact O-N 2.92Å; D91-F93 WeakPolarHBondContact O-CD2 3.41Å
92	G	95.9	Very high	97.6	Very high	60 Å²	60	29.8 Å²	29.8	62%	0.619	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	15.3	179.2	0	0	0	0	0	115.4	Y90	Y90-G92 PolarHBondContact O-N 2.86Å
93	F	96.7	Very high	97.6	Very high	76 Å²	76	33.8 Å²	33.8	33%	0.333	19%	0.186	S	C	.	.			trans	-129	131.3	172.6	-65.8	-94.9	0	0	0	109.7	W71 K89 Y90 D91 Y97	W71-F93 HydrophobicContact CE3-CD2 4.43Å; W71-F93 HydrophobicContact CE3-CE2 4.15Å; W71-F93 HydrophobicContact CH2-CD2 4.45Å; W71-F93 AromaticContact CH2-CE1 3.97Å; W71-F93 HydrophobicContact CH2-CE1 3.97Å; W71-F93 AromaticContact CH2-CE2 3.78Å; W71-F93 HydrophobicContact CH2-CE2 3.78Å; W71-F93 AromaticContact CH2-CZ 3.5Å; W71-F93 HydrophobicContact CH2-CZ 3.5Å; W71-F93 VanDerWaalsContact CH2-CZ 3.5Å; W71-F93 HydrophobicContact CZ3-CD1 4.39Å; W71-F93 AromaticContact CZ3-CD2 3.65Å; W71-F93 HydrophobicContact CZ3-CD2 3.65Å; W71-F93 HydrophobicContact CZ3-CE1 4.08Å; W71-F93 AromaticContact CZ3-CE2 3.3Å; W71-F93 HydrophobicContact CZ3-CE2 3.3Å; W71-F93 HydrophobicContact CZ3-CG 4.2Å; W71-F93 AromaticContact CZ3-CZ 3.54Å; W71-F93 HydrophobicContact CZ3-CZ 3.54Å; K89-F93 WeakPolarHBondContact CD-O 3.28Å; K89-F93 WeakPolarHBondContact CE-O 3.36Å; K89-F93 PolarHBondContact NZ-O 3.07Å; Y90-F93 PolarHBondContact O-N 3.04Å; D91-F93 WeakPolarHBondContact O-CD2 3.41Å; F93-Y97 HydrophobicContact CB-CE2 4.17Å
94	D	97.1	Very high	97.6	Very high	52 Å²	52	31.7 Å²	31.7	28%	0.278	17%	0.17	S	C	.	.			trans	-94.3	-17.1	-169.8	-57.3	-44.9	0	0	0	115	K89 Y176 M177 Y178	K89-D94 IonicContact NZ-OD1 3.38Å; K89-D94 PolarHBondContact NZ-OD1 3.37Å; D94-Y176 HydrophobicContact CB-CD1 4.12Å; D94-Y176 CarbonylContact O-C 3.06Å; D94-Y176 WeakPolarHBondContact O-CA 3.41Å; D94-M177 PolarHBondContact O-N 2.82Å; D94-Y178 HydrophobicContact CB-CD1 4.37Å; D94-Y178 HydrophobicContact CB-CE1 3.56Å; D94-Y178 HydrophobicContact CB-CE2 4.13Å; D94-Y178 VanDerWaalsContact CB-CZ 3.42Å; D94-Y178 WeakPolarHBondContact CB-OH 3.39Å; D94-Y178 VanDerWaalsContact CG-CE1 3.45Å
95	C	97.5	Very high	97.5	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.115	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-65.6	150	168.8	-47	0	0	0	0	111.4	Y97 V174 Y176	C95-Y97 HydrophobicContact CB-CD2 4.4Å; C95-Y97 HydrophobicContact CB-CE2 3.75Å; C95-Y97 VanDerWaalsContact O-CD2 3.29Å; C95-Y97 WeakPolarHBondContact O-CD2 3.42Å; C95-Y97 VanDerWaalsContact O-CE2 3.3Å; C95-Y97 WeakPolarHBondContact O-CE2 3.46Å; C95-V174 HydrophobicContact CB-CG1 4.36Å; C95-Y176 WeakPolarHBondContact SG-CE1 3.39Å
96	I	98.3	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.2	165.9	-59.6	-49.5	0	0	0	109.7	L76 L87 K89 Y166 L175 M177 I252	L76-I96 HydrophobicContact CD1-CD1 3.51Å; L76-I96 HydrophobicContact CD1-CG1 4.29Å; L76-I96 HydrophobicContact CD1-CG2 4.42Å; L87-I96 HydrophobicContact CB-CG2 4.04Å; K89-I96 HydrophobicContact CB-CD1 3.98Å; K89-I96 HydrophobicContact CD-CD1 3.8Å; K89-I96 HydrophobicContact CG-CD1 4.47Å; I96-Y166 HydrophobicContact CD1-CE1 4.4Å; I96-Y166 HydrophobicContact CG1-CD1 4.32Å; I96-Y166 HydrophobicContact CG1-CE1 4.04Å; I96-L175 HydrophobicContact CB-CB 4.32Å; I96-L175 HydrophobicContact CB-CD2 3.91Å; I96-L175 HydrophobicContact CB-CG 4.01Å; I96-L175 HydrophobicContact CG1-CD2 4.15Å; I96-L175 HydrophobicContact CG1-CG 4.03Å; I96-L175 HydrophobicContact CG2-CD2 4.02Å; I96-L175 PolarHBondContact N-O 3.1Å; I96-M177 HydrophobicContact CD1-CB 3.64Å; I96-M177 HydrophobicContact CD1-CG 4.43Å; I96-M177 HydrophobicContact CD1-SD 4.06Å; I96-M177 HydrophobicContact CG1-CB 4.03Å; I96-I252 HydrophobicContact CG2-CG1 4.44Å
97	Y	98.6	Very high	97.4	Very high	27 Å²	27	43.3 Å²	43.3	11%	0.106	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.3	-176.5	-66.3	-100	0	0	0	110.5	L87 I88 Y90 F93 C95 F250	L87-Y97 CarbonylContact C-O 3.57Å; L87-Y97 WeakPolarHBondContact CA-O 3.44Å; I88-Y97 PolarHBondContact N-O 3.29Å; I88-Y97 PolarHBondContact O-N 2.83Å; Y90-Y97 AromaticContact CD2-CD2 3.54Å; Y90-Y97 HydrophobicContact CD2-CD2 3.54Å; Y90-Y97 HydrophobicContact CD2-CE2 4.05Å; Y90-Y97 AromaticContact CD2-CG 3.81Å; Y90-Y97 HydrophobicContact CD2-CG 3.81Å; Y90-Y97 HydrophobicContact CE2-CD1 4.43Å; Y90-Y97 HydrophobicContact CE2-CD2 4.06Å; Y90-Y97 AromaticContact CE2-CG 3.84Å; Y90-Y97 HydrophobicContact CE2-CG 3.84Å; F93-Y97 HydrophobicContact CB-CE2 4.17Å; C95-Y97 HydrophobicContact CB-CD2 4.4Å; C95-Y97 HydrophobicContact CB-CE2 3.75Å; C95-Y97 VanDerWaalsContact O-CD2 3.29Å; C95-Y97 WeakPolarHBondContact O-CD2 3.42Å; C95-Y97 VanDerWaalsContact O-CE2 3.3Å; C95-Y97 WeakPolarHBondContact O-CE2 3.46Å; Y97-F250 CarbonylContact C-O 3.44Å; Y97-F250 WeakPolarHBondContact CA-O 3.26Å; Y97-F250 HydrophobicContact CD1-CB 4.36Å; Y97-F250 AromaticContact CD1-CD2 3.48Å; Y97-F250 HydrophobicContact CD1-CD2 3.48Å; Y97-F250 VanDerWaalsContact CD1-CD2 3.48Å; Y97-F250 HydrophobicContact CD1-CE2 4.11Å; Y97-F250 HydrophobicContact CD1-CG 4.17Å; Y97-F250 AromaticContact CE1-CD2 3.55Å; Y97-F250 HydrophobicContact CE1-CD2 3.55Å; Y97-F250 AromaticContact CE1-CE2 3.69Å; Y97-F250 HydrophobicContact CE1-CE2 3.69Å
98	G	98.4	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108	172.4	0	0	0	0	0	111.4	Y86 K245 F250	Y86-G98 WeakPolarHBondContact O-CA 3.22Å; G98-K245 WeakPolarHBondContact O-CE 3.37Å; G98-F250 PolarHBondContact N-O 2.79Å
99	L	98.4	Very high	97.3	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.7	178.7	-67.1	179.3	0	0	0	113.2	W62 Y86 I88 Y90 L101 V107 F250	W62-L99 HydrophobicContact CH2-CD2 3.94Å; W62-L99 HydrophobicContact CZ3-CD1 3.9Å; W62-L99 HydrophobicContact CZ3-CD2 3.91Å; Y86-L99 PolarHBondContact N-O 3.4Å; Y86-L99 PolarHBondContact O-N 3.43Å; I88-L99 HydrophobicContact CD1-CB 4.1Å; I88-L99 HydrophobicContact CD1-CD1 4.24Å; I88-L99 HydrophobicContact CD1-CG 4.44Å; Y90-L99 WeakPolarHBondContact OH-CD1 3.42Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 HydrophobicContact CB-CD2 4.23Å; L99-L101 HydrophobicContact CB-CG 4.42Å; L99-L101 HydrophobicContact CD1-CD2 4.39Å; L99-L101 PolarHBondContact O-N 2.86Å; L99-L101 VanDerWaalsContact O-N 3.08Å; L99-V107 HydrophobicContact CD1-CG2 4.32Å; L99-F250 HydrophobicContact CD2-CB 3.68Å
100	E	97.9	Very high	97.3	Very high	54 Å²	54	51.2 Å²	51.2	25%	0.252	27%	0.272	S	S	.	.			trans	-82.8	70	167.6	-61.3	-156.7	157.8	0	0	111	N82 S84 L85 H102 K103 D104	N82-E100 PolarHBondContact ND2-OE1 3.06Å; N82-E100 PolarHBondContact OD1-OE1 3.14Å; S84-E100 VanDerWaalsContact O-CA 3.28Å; S84-E100 WeakPolarHBondContact O-CA 3.42Å; L85-E100 HydrophobicContact CB-CG 4.42Å; E100-H102 PolarHBondContact O-N 2.85Å; E100-K103 HydrophobicContact CB-CB 4.17Å; E100-K103 HydrophobicContact CB-CD 4.31Å; E100-K103 PolarHBondContact O-N 2.95Å; E100-K103 IonicContact OE1-NZ 2.97Å; E100-K103 WeakPolarHBondContact OE2-CD 3.37Å; E100-K103 WeakPolarHBondContact OE2-CE 3.35Å; E100-K103 IonicContact OE2-NZ 3.82Å; E100-K103 PolarHBondContact OE2-NZ 2.99Å; E100-D104 PolarHBondContact O-N 3.12Å
101	L	97.7	Very high	97.3	Very high	6 Å²	6	57 Å²	57	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-18.7	-169.5	-74	177.6	0	0	0	117.5	I53 I58 V75 Y86 I88 L99 V107 L110	I53-L101 HydrophobicContact CD1-CD1 3.86Å; I58-L101 HydrophobicContact CD1-CD1 3.81Å; I58-L101 HydrophobicContact CD1-CD2 4.38Å; V75-L101 HydrophobicContact CG2-CD1 4.39Å; Y86-L101 HydrophobicContact CD2-CB 3.84Å; Y86-L101 HydrophobicContact CD2-CD1 3.79Å; Y86-L101 HydrophobicContact CD2-CG 3.96Å; Y86-L101 HydrophobicContact CE2-CB 4.14Å; Y86-L101 HydrophobicContact CE2-CD1 4.43Å; Y86-L101 HydrophobicContact CG-CD1 4.03Å; I88-L101 HydrophobicContact CD1-CD1 3.85Å; I88-L101 HydrophobicContact CD1-CD2 3.73Å; I88-L101 HydrophobicContact CD1-CG 3.89Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 HydrophobicContact CB-CD2 4.23Å; L99-L101 HydrophobicContact CB-CG 4.42Å; L99-L101 HydrophobicContact CD1-CD2 4.39Å; L99-L101 PolarHBondContact O-N 2.86Å; L99-L101 VanDerWaalsContact O-N 3.08Å; L101-V107 HydrophobicContact CD2-CG1 4.12Å; L101-V107 HydrophobicContact CD2-CG2 4.35Å; L101-L110 HydrophobicContact CB-CD2 4.03Å; L101-L110 HydrophobicContact CD2-CD1 4.49Å
102	H	96.5	Very high	97.3	Very high	82 Å²	82	56.5 Å²	56.5	38%	0.38	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	6.1	179.6	-59.2	-46	0	0	0	114.3	Y86 E100	Y86-H102 AromaticContact CE2-CD2 3.92Å; Y86-H102 PolarHBondContact OH-NE2 3.31Å; E100-H102 PolarHBondContact O-N 2.85Å
103	K	96.3	Very high	97.2	Very high	116 Å²	116	55.3 Å²	55.3	50%	0.504	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-30.3	-177.4	-72	167.7	164.6	178.5	0	113.1	S84 E100 E105	S84-K103 VanDerWaalsContact CB-NZ 3.31Å; S84-K103 VanDerWaalsContact OG-CE 3.22Å; S84-K103 WeakPolarHBondContact OG-CE 3.28Å; S84-K103 PolarHBondContact OG-NZ 3.44Å; E100-K103 HydrophobicContact CB-CB 4.17Å; E100-K103 HydrophobicContact CB-CD 4.31Å; E100-K103 PolarHBondContact O-N 2.95Å; E100-K103 IonicContact OE1-NZ 2.97Å; E100-K103 WeakPolarHBondContact OE2-CD 3.37Å; E100-K103 WeakPolarHBondContact OE2-CE 3.35Å; E100-K103 IonicContact OE2-NZ 3.82Å; E100-K103 PolarHBondContact OE2-NZ 2.99Å; K103-E105 PolarHBondContact O-N 2.94Å
104	D	96.8	Very high	96.8	Very high	31 Å²	31	57.5 Å²	57.5	17%	0.166	30%	0.3	C	S	.	.			trans	-67.4	112.3	178.4	-167.9	-32.8	0	0	0	110.2	E100 R106 V107	E100-D104 PolarHBondContact O-N 3.12Å; D104-R106 PolarHBondContact O-N 3.29Å; D104-R106 VanDerWaalsContact O-N 3.12Å; D104-R106 VanDerWaalsContact OD1-CB 3.23Å; D104-R106 WeakPolarHBondContact OD1-CB 3.46Å; D104-R106 WeakPolarHBondContact OD1-CG 3.22Å; D104-R106 IonicContact OD1-CZ 2.8Å; D104-R106 PolarHBondContact OD1-N 3.09Å; D104-R106 IonicContact OD1-NE 3.43Å; D104-R106 PolarHBondContact OD1-NE 2.88Å; D104-R106 IonicContact OD1-NH2 3.54Å; D104-R106 IonicContact OD2-CZ 3.18Å; D104-R106 IonicContact OD2-NE 2.85Å; D104-R106 PolarHBondContact OD2-NE 3.14Å; D104-R106 IonicContact OD2-NH2 2.71Å; D104-R106 PolarHBondContact OD2-NH2 2.9Å; D104-V107 HydrophobicContact CB-CG2 4.07Å; D104-V107 WeakPolarHBondContact O-CB 3.24Å; D104-V107 PolarHBondContact O-N 2.86Å
105	E	95.9	Very high	96.2	Very high	175 Å²	175	59.9 Å²	59.9	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	-175.2	-57.5	-171.7	161.3	0	0	113.7	K103 V107 Q108	K103-E105 PolarHBondContact O-N 2.94Å; E105-V107 VanDerWaalsContact C-N 3.3Å; E105-Q108 PolarHBondContact O-NE2 2.81Å; E105-Q108 VanDerWaalsContact O-NE2 3.14Å
106	R	96.9	Very high	95.3	Very high	88 Å²	88	68.7 Å²	68.7	33%	0.332	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.9	173.4	-57.2	173.9	-70.9	-173.7	0.1	111.5	W62 K63 D104	W62-R106 CarbonylContact C-O 3.54Å; W62-R106 WeakPolarHBondContact CA-O 3.06Å; W62-R106 HydrophobicContact CD2-CB 4.05Å; W62-R106 HydrophobicContact CE3-CB 3.84Å; W62-R106 HydrophobicContact CH2-CB 4.02Å; W62-R106 VanDerWaalsContact CH2-NE 3.26Å; W62-R106 HydrophobicContact CZ2-CB 4.18Å; W62-R106 HydrophobicContact CZ3-CB 3.82Å; K63-R106 PolarHBondContact N-O 2.99Å; K63-R106 WeakPolarHBondContact O-CB 2.84Å; K63-R106 WeakPolarHBondContact O-CG 3.37Å; D104-R106 PolarHBondContact O-N 3.29Å; D104-R106 VanDerWaalsContact O-N 3.12Å; D104-R106 VanDerWaalsContact OD1-CB 3.23Å; D104-R106 WeakPolarHBondContact OD1-CB 3.46Å; D104-R106 WeakPolarHBondContact OD1-CG 3.22Å; D104-R106 IonicContact OD1-CZ 2.8Å; D104-R106 PolarHBondContact OD1-N 3.09Å; D104-R106 IonicContact OD1-NE 3.43Å; D104-R106 PolarHBondContact OD1-NE 2.88Å; D104-R106 IonicContact OD1-NH2 3.54Å; D104-R106 IonicContact OD2-CZ 3.18Å; D104-R106 IonicContact OD2-NE 2.85Å; D104-R106 PolarHBondContact OD2-NE 3.14Å; D104-R106 IonicContact OD2-NH2 2.71Å; D104-R106 PolarHBondContact OD2-NH2 2.9Å
107	V	98	Very high	94.3	Very high	18 Å²	18	70.8 Å²	70.8	11%	0.109	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.8	177.3	178.7	0	0	0	0	109.5	H60 W62 L99 L101 D104 E105 L110	H60-V107 HydrophobicContact CB-CG1 4.08Å; W62-V107 HydrophobicContact CE3-CG2 4.01Å; W62-V107 HydrophobicContact CZ3-CG2 3.88Å; L99-V107 HydrophobicContact CD1-CG2 4.32Å; L101-V107 HydrophobicContact CD2-CG1 4.12Å; L101-V107 HydrophobicContact CD2-CG2 4.35Å; D104-V107 HydrophobicContact CB-CG2 4.07Å; D104-V107 WeakPolarHBondContact O-CB 3.24Å; D104-V107 PolarHBondContact O-N 2.86Å; E105-V107 VanDerWaalsContact C-N 3.3Å; V107-L110 HydrophobicContact CG1-CB 4.43Å
108	Q	97.1	Very high	93.2	Very high	77 Å²	77	73.2 Å²	73.2	36%	0.36	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.9	-177	-54.8	-167	-6	0	0	111.1	Q61 E105 L110	Q61-Q108 HydrophobicContact CB-CB 4.22Å; Q61-Q108 WeakPolarHBondContact CB-O 3.19Å; Q61-Q108 PolarHBondContact N-O 2.88Å; Q61-Q108 PolarHBondContact O-N 3.04Å; E105-Q108 PolarHBondContact O-NE2 2.81Å; E105-Q108 VanDerWaalsContact O-NE2 3.14Å; Q108-L110 PolarHBondContact O-N 2.82Å
109	G	96.8	Very high	92.2	Very high	56 Å²	56	78.9 Å²	78.9	58%	0.577	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.8	43.7	178.3	0	0	0	0	0	114	E111	G109-E111 PolarHBondContact O-N 2.95Å
110	L	97.9	Very high	91.4	Very high	50 Å²	50	80.6 Å²	80.6	26%	0.262	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	117.1	177	177.8	67.5	0	0	0	110.9	I58 H60 L101 V107 Q108	I58-L110 HydrophobicContact CB-CD1 4.17Å; I58-L110 HydrophobicContact CD1-CD1 4.15Å; I58-L110 HydrophobicContact CG2-CD1 4.42Å; H60-L110 HydrophobicContact CB-CB 4.32Å; H60-L110 HydrophobicContact CB-CD1 4.07Å; L101-L110 HydrophobicContact CB-CD2 4.03Å; L101-L110 HydrophobicContact CD2-CD1 4.49Å; V107-L110 HydrophobicContact CG1-CB 4.43Å; Q108-L110 PolarHBondContact O-N 2.82Å
111	E	97.2	Very high	90.6	Very high	127 Å²	127	89.3 Å²	89.3	59%	0.593	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.5	177.8	-68.1	-179.8	175.3	0	0	110.7	I58 T59 G109	I58-E111 CarbonylContact C-O 3.6Å; I58-E111 WeakPolarHBondContact CA-O 3.46Å; T59-E111 HydrophobicContact CG2-CB 3.82Å; T59-E111 PolarHBondContact N-O 2.95Å; T59-E111 PolarHBondContact O-N 3.04Å; G109-E111 PolarHBondContact O-N 2.95Å
112	V	96.9	Very high	89.9	Confident	68 Å²	68	90.9 Å²	90.9	41%	0.412	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.5	171.2	-177.9	0	0	0	0	108	I53 C56 I58	I53-V112 HydrophobicContact CG2-CG2 3.62Å; C56-V112 HydrophobicContact CB-CG1 3.76Å; I58-V112 HydrophobicContact CG2-CG2 4.46Å
113	L	95.1	Very high	89.1	Confident	34 Å²	34	90.8 Å²	90.8	18%	0.178	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	152.1	178.7	-62.6	177.4	0	0	0	110.3	R57 T59 K72 D115	R57-L113 HydrophobicContact CB-CB 3.91Å; R57-L113 HydrophobicContact CB-CD1 4.21Å; R57-L113 PolarHBondContact O-N 3.36Å; T59-L113 HydrophobicContact CG2-CD2 3.7Å; T59-L113 HydrophobicContact CG2-CG 4.2Å; K72-L113 HydrophobicContact CD-CD1 4.46Å; L113-D115 PolarHBondContact O-N 3.13Å
114	P	88.3	Confident	88.8	Confident	122 Å²	122	88.6 Å²	88.6	79%	0.792	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-24.3	178.5	29	-35.8	0	0	0	112.6	R116	P114-R116 PolarHBondContact O-N 2.72Å
115	D	83.4	Confident	88.6	Confident	103 Å²	103	90.6 Å²	90.6	55%	0.551	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.8	178.8	-54.2	-40	0	0	0	110.1	R57 L113	R57-D115 HydrophobicContact CB-CB 4.41Å; R57-D115 WeakPolarHBondContact CB-O 3.26Å; R57-D115 HydrophobicContact CG-CB 4.12Å; R57-D115 WeakPolarHBondContact CG-O 3.42Å; L113-D115 PolarHBondContact O-N 3.13Å
116	R	78.5	Confident	88.5	Confident	202 Å²	202	89.2 Å²	89.2	76%	0.762	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	149.7	165.1	-69.2	-173.2	174.2	-162	-4.7	108.9	P114 A118	P114-R116 PolarHBondContact O-N 2.72Å; R116-A118 PolarHBondContact O-N 2.8Å; R116-A118 VanDerWaalsContact O-N 3.17Å
117	V	77.6	Confident	88.3	Confident	43 Å²	43	86.2 Å²	86.2	26%	0.261	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-61.1	120.6	167.6	177.1	0	0	0	0	107.7	T74 I160 M161	T74-V117 HydrophobicContact CG2-CG2 3.52Å; V117-I160 HydrophobicContact CB-CG2 4.3Å; V117-I160 HydrophobicContact CG2-CG2 4.4Å; V117-M161 HydrophobicContact CG1-CG 3.96Å; V117-M161 HydrophobicContact CG2-CG 4.49Å
118	A	76.2	Confident	88.1	Confident	79 Å²	79	85.5 Å²	85.5	65%	0.653	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-72	132.3	174.5	0	0	0	0	0	108.8	R116 A120	R116-A118 PolarHBondContact O-N 2.8Å; R116-A118 VanDerWaalsContact O-N 3.17Å; A118-A120 PolarHBondContact O-N 2.88Å; A118-A120 VanDerWaalsContact O-N 3.16Å
119	P	76.2	Confident	88	Confident	118 Å²	118	88.4 Å²	88.4	77%	0.766	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-65	118	174.7	26.6	-32.9	0	0	0	109.2
120	A	81.4	Confident	87.8	Confident	43 Å²	43	89.2 Å²	89.2	36%	0.355	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-83.2	167.4	171.9	0	0	0	0	0	110.1	A118 N162 T163	A118-A120 PolarHBondContact O-N 2.88Å; A118-A120 VanDerWaalsContact O-N 3.16Å; A120-N162 PolarHBondContact O-ND2 3.45Å; A120-N162 PolarHBondContact O-OD1 3.49Å; A120-T163 HydrophobicContact CB-CG2 3.57Å
121	R	81.4	Confident	87.7	Confident	237 Å²	237	86.9 Å²	86.9	89%	0.894	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-98.4	131.2	167.3	-69.4	-174.5	179.3	-175.5	-0.4	108.5	S123	R121-S123 PolarHBondContact O-N 2.7Å
122	V	82.9	Confident	87.7	Confident	39 Å²	39	83.3 Å²	83.3	24%	0.236	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-62.9	128	168.8	-172.1	0	0	0	0	107.5	A128 L181	V122-A128 HydrophobicContact CG1-CB 3.91Å; V122-L181 HydrophobicContact CG1-CD1 3.67Å
123	S	80.5	Confident	87.7	Confident	80 Å²	80	81.2 Å²	81.2	56%	0.559	45%	0.445	S	S	*	.	S	Bend	trans	-72.6	-35.1	-174.5	60.9	0	0	0	0	112.9	R121 K185	R121-S123 PolarHBondContact O-N 2.7Å; S123-K185 PolarHBondContact OG-NZ 2.78Å
124	D	90.3	Very high	87.8	Confident	71 Å²	71	81.8 Å²	81.8	38%	0.38	45%	0.446	S	S	.	.			trans	-140.7	101.5	178.4	-172.7	-26	0	0	0	107.7	Q126 L127 A128	D124-Q126 PolarHBondContact OD1-N 3.22Å; D124-Q126 VanDerWaalsContact OD1-N 3.13Å; D124-L127 HydrophobicContact CB-CB 4.04Å; D124-L127 VanDerWaalsContact CG-CB 3.43Å; D124-L127 WeakPolarHBondContact OD1-CB 3.36Å; D124-L127 PolarHBondContact OD1-N 2.84Å; D124-A128 WeakPolarHBondContact O-CB 3.39Å; D124-A128 PolarHBondContact O-N 2.97Å; D124-A128 VanDerWaalsContact O-N 3.17Å
125	S	91.1	Very high	88.2	Confident	73 Å²	73	77.7 Å²	77.7	51%	0.51	42%	0.423	S	S	.	.	H	α-helix	trans	-73.9	-31.5	-179.1	55	0	0	0	0	112.3	A128 E129	S125-A128 WeakPolarHBondContact O-CB 3.25Å; S125-A128 PolarHBondContact O-N 2.87Å; S125-E129 WeakPolarHBondContact O-CB 3.3Å; S125-E129 VanDerWaalsContact O-CG 3.32Å; S125-E129 WeakPolarHBondContact O-CG 3.29Å; S125-E129 PolarHBondContact O-N 3.05Å
126	Q	93.8	Very high	88.9	Confident	145 Å²	145	72.8 Å²	72.8	68%	0.678	40%	0.397	S	S	*	.	H	α-helix	trans	-71.2	-42.3	-178.8	-175.1	176.4	-3.8	0	0	110.6	D124 T130	D124-Q126 PolarHBondContact OD1-N 3.22Å; D124-Q126 VanDerWaalsContact OD1-N 3.13Å; Q126-T130 WeakPolarHBondContact O-CB 3.26Å; Q126-T130 PolarHBondContact O-N 2.88Å; Q126-T130 PolarHBondContact O-OG1 2.92Å
127	L	93.9	Very high	89.8	Confident	26 Å²	26	64 Å²	64	14%	0.136	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-44	171.5	-179.3	59.4	0	0	0	111.1	D124 E129 T130 M131 L181 Y184 I191	D124-L127 HydrophobicContact CB-CB 4.04Å; D124-L127 VanDerWaalsContact CG-CB 3.43Å; D124-L127 WeakPolarHBondContact OD1-CB 3.36Å; D124-L127 PolarHBondContact OD1-N 2.84Å; L127-E129 VanDerWaalsContact C-N 3.34Å; L127-E129 PolarHBondContact O-N 2.98Å; L127-T130 PolarHBondContact O-N 3.33Å; L127-T130 VanDerWaalsContact O-N 3.13Å; L127-M131 HydrophobicContact CD1-CG 4.12Å; L127-M131 HydrophobicContact CD1-SD 4.13Å; L127-M131 HydrophobicContact CG-CG 4.4Å; L127-M131 HydrophobicContact CG-SD 3.87Å; L127-M131 VanDerWaalsContact O-CG 3.22Å; L127-M131 WeakPolarHBondContact O-CG 3.49Å; L127-M131 PolarHBondContact O-N 2.62Å; L127-L181 HydrophobicContact CB-CD2 4.04Å; L127-L181 HydrophobicContact CD2-CD2 3.69Å; L127-L181 HydrophobicContact CG-CD2 3.7Å; L127-Y184 HydrophobicContact CD1-CE1 4.24Å; L127-Y184 HydrophobicContact CD2-CD1 3.53Å; L127-Y184 HydrophobicContact CD2-CE1 3.72Å; L127-Y184 HydrophobicContact CD2-CG 4.17Å; L127-I191 HydrophobicContact CD1-CD1 4.01Å
128	A	94.3	Very high	90.7	Very high	3 Å²	3	62.1 Å²	62.1	3%	0.025	35%	0.352	C	S	.	.	H	α-helix	trans	-55.8	-46.1	176.9	0	0	0	0	0	112.7	V122 D124 S125 I132 F165 L181	V122-A128 HydrophobicContact CG1-CB 3.91Å; D124-A128 WeakPolarHBondContact O-CB 3.39Å; D124-A128 PolarHBondContact O-N 2.97Å; D124-A128 VanDerWaalsContact O-N 3.17Å; S125-A128 WeakPolarHBondContact O-CB 3.25Å; S125-A128 PolarHBondContact O-N 2.87Å; A128-I132 WeakPolarHBondContact O-CG1 3.32Å; A128-F165 HydrophobicContact CB-CE1 3.89Å; A128-F165 HydrophobicContact CB-CZ 3.62Å; A128-L181 HydrophobicContact CB-CD1 4.29Å; A128-L181 HydrophobicContact CB-CD2 4.4Å
129	E	93.9	Very high	91.7	Very high	138 Å²	138	60.3 Å²	60.3	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-65.2	-42.6	175.2	-73.3	167	-159.5	0	0	111.6	S125 L127 M131 I132	S125-E129 WeakPolarHBondContact O-CB 3.3Å; S125-E129 VanDerWaalsContact O-CG 3.32Å; S125-E129 WeakPolarHBondContact O-CG 3.29Å; S125-E129 PolarHBondContact O-N 3.05Å; L127-E129 VanDerWaalsContact C-N 3.34Å; L127-E129 PolarHBondContact O-N 2.98Å; E129-M131 VanDerWaalsContact C-N 3.29Å; E129-M131 PolarHBondContact O-N 2.73Å; E129-I132 PolarHBondContact O-N 2.72Å
130	T	93.8	Very high	92.5	Very high	73 Å²	73	57.1 Å²	57.1	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-32.2	-178.8	-59.2	0	0	0	0	113	Q126 L127 K134	Q126-T130 WeakPolarHBondContact O-CB 3.26Å; Q126-T130 PolarHBondContact O-N 2.88Å; Q126-T130 PolarHBondContact O-OG1 2.92Å; L127-T130 PolarHBondContact O-N 3.33Å; L127-T130 VanDerWaalsContact O-N 3.13Å; T130-K134 WeakPolarHBondContact O-CE 3.46Å; T130-K134 WeakPolarHBondContact O-CG 3.42Å
131	M	95.6	Very high	92.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-72.5	-28.6	-179.8	-70.8	168	79.5	0	0	113.3	L127 E129 G133 K134 V154 L180 L181 L189 I191	L127-M131 HydrophobicContact CD1-CG 4.12Å; L127-M131 HydrophobicContact CD1-SD 4.13Å; L127-M131 HydrophobicContact CG-CG 4.4Å; L127-M131 HydrophobicContact CG-SD 3.87Å; L127-M131 VanDerWaalsContact O-CG 3.22Å; L127-M131 WeakPolarHBondContact O-CG 3.49Å; L127-M131 PolarHBondContact O-N 2.62Å; E129-M131 VanDerWaalsContact C-N 3.29Å; E129-M131 PolarHBondContact O-N 2.73Å; M131-G133 PolarHBondContact O-N 3.5Å; M131-K134 VanDerWaalsContact O-CB 3.3Å; M131-K134 WeakPolarHBondContact O-CB 3.23Å; M131-K134 WeakPolarHBondContact O-CG 3.39Å; M131-K134 PolarHBondContact O-N 2.89Å; M131-K134 VanDerWaalsContact O-N 3.1Å; M131-V154 WeakPolarHBondContact O-CB 3.17Å; M131-L180 HydrophobicContact CE-CB 3.62Å; M131-L181 HydrophobicContact SD-CD2 3.87Å; M131-L189 HydrophobicContact CE-CD2 3.26Å; M131-I191 HydrophobicContact CG-CD1 3.55Å; M131-I191 HydrophobicContact CG-CG1 4.22Å
132	I	97	Very high	93	Very high	52 Å²	52	53.8 Å²	53.8	27%	0.267	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	132.2	-173.3	-69.4	167.2	0	0	0	110.7	A128 E129 K134 Q157 A237	A128-I132 WeakPolarHBondContact O-CG1 3.32Å; E129-I132 PolarHBondContact O-N 2.72Å; I132-K134 PolarHBondContact O-N 3.13Å; I132-Q157 HydrophobicContact CD1-CB 4.27Å; I132-A237 HydrophobicContact CG2-CB 3.51Å
133	G	96	Very high	93	Very high	25 Å²	25	58.6 Å²	58.6	26%	0.258	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-8.2	-175.4	0	0	0	0	0	114.8	M131 V154	M131-G133 PolarHBondContact O-N 3.5Å; G133-V154 VanDerWaalsContact CA-O 3.29Å; G133-V154 WeakPolarHBondContact CA-O 3.32Å; G133-V154 PolarHBondContact N-O 2.87Å
134	K	96.8	Very high	93.1	Very high	46 Å²	46	63.3 Å²	63.3	20%	0.2	33%	0.33	C	S	.	.			trans	-78.8	144.8	-178.2	-57.3	-64.8	168.6	-173.7	0	112.2	T130 M131 I132 M153 V154 I191 D194	T130-K134 WeakPolarHBondContact O-CE 3.46Å; T130-K134 WeakPolarHBondContact O-CG 3.42Å; M131-K134 VanDerWaalsContact O-CB 3.3Å; M131-K134 WeakPolarHBondContact O-CB 3.23Å; M131-K134 WeakPolarHBondContact O-CG 3.39Å; M131-K134 PolarHBondContact O-N 2.89Å; M131-K134 VanDerWaalsContact O-N 3.1Å; I132-K134 PolarHBondContact O-N 3.13Å; K134-M153 WeakPolarHBondContact O-CA 3.47Å; K134-V154 PolarHBondContact O-N 2.86Å; K134-I191 HydrophobicContact CB-CG2 3.86Å; K134-I191 HydrophobicContact CG-CG2 3.95Å; K134-D194 WeakPolarHBondContact CD-OD1 3.48Å; K134-D194 IonicContact NZ-OD1 3.44Å; K134-D194 PolarHBondContact NZ-OD1 2.94Å; K134-D194 IonicContact NZ-OD2 2.98Å; K134-D194 PolarHBondContact NZ-OD2 3.38Å
135	A	97.1	Very high	92.5	Very high	36 Å²	36	62.9 Å²	62.9	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.1	160.4	0	0	0	0	0	109.5	G152 M192	A135-G152 CarbonylContact C-O 3.58Å; A135-G152 WeakPolarHBondContact CA-O 3.09Å; A135-M192 HydrophobicContact CB-CB 4.15Å; A135-M192 HydrophobicContact CB-CG 4.48Å; A135-M192 WeakPolarHBondContact O-CB 3.33Å; A135-M192 PolarHBondContact O-N 2.85Å
136	V	97.8	Very high	92.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.4	-179.1	-65.2	0	0	0	0	110.4	R151 G152 V154 I167 L189 R190	V136-R151 CarbonylContact O-C 3.6Å; V136-R151 WeakPolarHBondContact O-CA 3.26Å; V136-G152 PolarHBondContact N-O 3.27Å; V136-G152 PolarHBondContact O-N 3Å; V136-V154 HydrophobicContact CG1-CG2 3.75Å; V136-V154 HydrophobicContact CG2-CG2 4.19Å; V136-I167 HydrophobicContact CG2-CD1 3.67Å; V136-L189 HydrophobicContact CB-CD1 3.9Å; V136-L189 HydrophobicContact CG1-CD1 4.33Å; V136-L189 HydrophobicContact CG2-CD1 4.01Å; V136-R190 CarbonylContact C-O 3.58Å; V136-R190 WeakPolarHBondContact CA-O 3.04Å; V136-R190 WeakPolarHBondContact CB-O 3.4Å
137	E	97.9	Very high	92.1	Very high	16 Å²	16	62 Å²	62	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.7	158.2	-69	156.4	178	0	0	107.7	E149 L189 R190 M192	E137-E149 HydrophobicContact CB-CG 3.85Å; E137-E149 HydrophobicContact CG-CG 4.11Å; E137-L189 WeakPolarHBondContact O-CA 3.45Å; E137-R190 HydrophobicContact CB-CB 4.47Å; E137-R190 VanDerWaalsContact CD-NH2 3.25Å; E137-R190 PolarHBondContact N-O 2.88Å; E137-R190 PolarHBondContact O-N 2.71Å; E137-R190 IonicContact OE1-NH2 3.33Å; E137-R190 PolarHBondContact OE1-NH2 2.99Å; E137-R190 VanDerWaalsContact OE1-NH2 3.1Å; E137-R190 IonicContact OE2-CZ 3.27Å; E137-R190 IonicContact OE2-NE 3.77Å; E137-R190 PolarHBondContact OE2-NE 2.86Å; E137-R190 IonicContact OE2-NH2 3.26Å; E137-R190 PolarHBondContact OE2-NH2 3.38Å; E137-M192 HydrophobicContact CG-CE 4.43Å; E137-M192 HydrophobicContact CG-CG 4.41Å; E137-M192 HydrophobicContact CG-SD 3.92Å; E137-M192 WeakPolarHBondContact OE1-CE 3.33Å; E137-M192 VanDerWaalsContact OE1-SD 3.35Å
138	H	97.8	Very high	92.1	Very high	4 Å²	4	64.1 Å²	64.1	2%	0.019	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	-179.1	-165.8	-155.4	0	0	0	109	F140 W150 Y169 D183 D188 L189	H138-F140 HydrophobicContact CB-CE2 4.3Å; H138-F140 AromaticContact CE1-CE1 3.78Å; H138-F140 AromaticContact CE1-CZ 3.69Å; H138-F140 AromaticContact ND1-CE1 3.76Å; H138-F140 AromaticContact ND1-CE2 3.66Å; H138-F140 AromaticContact ND1-CZ 3.19Å; H138-F140 WeakPolarHBondContact ND1-CZ 3.42Å; H138-W150 PolarHBondContact N-O 3.46Å; H138-W150 PolarHBondContact O-N 3.17Å; H138-Y169 HydrophobicContact CB-CE1 3.96Å; H138-Y169 AromaticContact ND1-CZ 3.84Å; H138-Y169 PolarHBondContact ND1-OH 2.81Å; H138-D183 IonicContact NE2-OD1 2.71Å; H138-D183 IonicContact NE2-OD2 3.21Å; H138-D188 PolarHBondContact CD2-O 3.38Å; H138-L189 HydrophobicContact CB-CD1 3.72Å
139	M	96.8	Very high	92.1	Very high	41 Å²	41	68.6 Å²	68.6	20%	0.202	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.2	-171.2	-68.9	81.1	85.9	0	0	110.6	K147 E148 G187 D188	M139-K147 HydrophobicContact CB-CB 4.19Å; M139-K147 HydrophobicContact CB-CD 4.14Å; M139-E148 WeakPolarHBondContact CA-O 3.32Å; M139-G187 WeakPolarHBondContact CE-O 3.47Å; M139-D188 HydrophobicContact CB-CB 4.46Å; M139-D188 VanDerWaalsContact CE-C 3.49Å; M139-D188 PolarHBondContact N-O 2.85Å; M139-D188 VanDerWaalsContact SD-O 3.37Å
140	F	92.9	Very high	92.2	Very high	52 Å²	52	64.5 Å²	64.5	23%	0.228	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.4	-178.7	-66.7	-79.8	0	0	0	111.7	H138 K147 E148 W150 Y169 Y178	H138-F140 HydrophobicContact CB-CE2 4.3Å; H138-F140 AromaticContact CE1-CE1 3.78Å; H138-F140 AromaticContact CE1-CZ 3.69Å; H138-F140 AromaticContact ND1-CE1 3.76Å; H138-F140 AromaticContact ND1-CE2 3.66Å; H138-F140 AromaticContact ND1-CZ 3.19Å; H138-F140 WeakPolarHBondContact ND1-CZ 3.42Å; F140-K147 CarbonylContact O-C 3.51Å; F140-K147 WeakPolarHBondContact O-CA 3.46Å; F140-K147 WeakPolarHBondContact O-CB 3.24Å; F140-E148 PolarHBondContact N-O 3.45Å; F140-E148 PolarHBondContact O-N 3.03Å; F140-W150 HydrophobicContact CD2-CB 4.12Å; F140-W150 AromaticContact CD2-CD1 3.67Å; F140-W150 HydrophobicContact CD2-CD2 4.41Å; F140-W150 AromaticContact CD2-CG 3.82Å; F140-W150 HydrophobicContact CD2-CG 3.82Å; F140-W150 HydrophobicContact CE2-CB 3.84Å; F140-W150 HydrophobicContact CE2-CD2 4.21Å; F140-W150 AromaticContact CE2-CG 3.8Å; F140-W150 HydrophobicContact CE2-CG 3.8Å; F140-Y169 HydrophobicContact CE2-CE1 4.38Å; F140-Y169 HydrophobicContact CZ-CE2 4.42Å; F140-Y169 AromaticContact CZ-CZ 3.96Å; F140-Y178 HydrophobicContact CE1-CE1 4.28Å; F140-Y178 AromaticContact CE1-CZ 3.94Å; F140-Y178 HydrophobicContact CZ-CE2 4.36Å
141	E	90.2	Very high	92.4	Very high	116 Å²	116	66.4 Å²	66.4	54%	0.542	35%	0.345	S	S	.	.			trans	-65.1	138.5	170.1	-67.1	-176.4	154.4	0	0	111.5	K7 K147	K7-E141 IonicContact NZ-OE2 2.82Å; K7-E141 PolarHBondContact NZ-OE2 3Å; E141-K147 HydrophobicContact CG-CD 4.45Å
142	Q	83.5	Confident	92.5	Very high	94 Å²	94	66.7 Å²	66.7	44%	0.439	35%	0.348	S	S	.	.			trans	-107.9	155.3	169.6	-62.7	-172.5	65.1	0	0	109.8	E144 P146 E148	Q142-E144 PolarHBondContact O-N 3.35Å; Q142-P146 PolarHBondContact NE2-O 3.19Å; Q142-E148 HydrophobicContact CG-CB 4.3Å
143	D	83.2	Confident	92.6	Very high	139 Å²	139	66.1 Å²	66.1	74%	0.743	35%	0.345	S	S	*	.	S	Bend	trans	-57.3	-38.8	176	-75.9	-27.7	0	0	0	112.1	F5	F5-D143 WeakPolarHBondContact CE1-OD2 3.14Å
144	E	81.3	Confident	92.7	Very high	180 Å²	180	64.9 Å²	64.9	84%	0.841	33%	0.333	S	S	*	.	S	Bend	trans	-140	129.2	176.3	-63.9	-174.2	178.9	0	0	109.9	Q142	Q142-E144 PolarHBondContact O-N 3.35Å
145	G	77.4	Confident	92.7	Very high	62 Å²	62	62.9 Å²	62.9	64%	0.639	32%	0.324	S	S	*	.	S	Bend	trans	111.7	-170.7	174.4	0	0	0	0	0	115.2
146	P	87.1	Confident	92.8	Very high	107 Å²	107	62.6 Å²	62.6	70%	0.695	32%	0.321	S	S	*	.	S	Bend	trans	-69.7	158.7	175.8	31	-35.2	0	0	0	111.5	Q142 E148	Q142-P146 PolarHBondContact NE2-O 3.19Å; P146-E148 PolarHBondContact O-N 2.78Å
147	K	90	Very high	92.7	Very high	91 Å²	91	66.1 Å²	66.1	40%	0.396	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-57.2	139.8	172.7	-63.4	-165.7	-179.3	-173.6	0	110.4	M139 F140 E141 D188	M139-K147 HydrophobicContact CB-CB 4.19Å; M139-K147 HydrophobicContact CB-CD 4.14Å; F140-K147 CarbonylContact O-C 3.51Å; F140-K147 WeakPolarHBondContact O-CA 3.46Å; F140-K147 WeakPolarHBondContact O-CB 3.24Å; E141-K147 HydrophobicContact CG-CD 4.45Å; K147-D188 IonicContact NZ-OD1 2.68Å; K147-D188 PolarHBondContact NZ-OD1 3.43Å; K147-D188 IonicContact NZ-OD2 2.9Å; K147-D188 PolarHBondContact NZ-OD2 2.82Å
148	E	92.8	Very high	92.4	Very high	71 Å²	71	65.4 Å²	65.4	33%	0.332	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.3	173.2	-152.6	-162.5	158.9	0	0	110	M139 F140 Q142 P146 W150 K171	M139-E148 WeakPolarHBondContact CA-O 3.32Å; F140-E148 PolarHBondContact N-O 3.45Å; F140-E148 PolarHBondContact O-N 3.03Å; Q142-E148 HydrophobicContact CG-CB 4.3Å; P146-E148 PolarHBondContact O-N 2.78Å; E148-W150 PolarHBondContact OE1-NE1 3.31Å; E148-W150 PolarHBondContact OE2-NE1 3.2Å; E148-K171 IonicContact OE1-NZ 2.72Å; E148-K171 PolarHBondContact OE1-NZ 2.81Å
149	E	94.8	Very high	91.8	Very high	98 Å²	98	69.5 Å²	69.5	46%	0.458	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.4	175.9	-166	-174.1	89	0	0	110.8	E137 K171	E137-E149 HydrophobicContact CB-CG 3.85Å; E137-E149 HydrophobicContact CG-CG 4.11Å; E149-K171 PolarHBondContact O-NZ 2.67Å; E149-K171 VanDerWaalsContact O-NZ 3.15Å
150	W	97.3	Very high	91.5	Very high	52 Å²	52	70 Å²	70	20%	0.197	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112.1	179	-77.8	57.2	0	0	0	109.8	H138 F140 E148 Y169 K171 D172	H138-W150 PolarHBondContact N-O 3.46Å; H138-W150 PolarHBondContact O-N 3.17Å; F140-W150 HydrophobicContact CD2-CB 4.12Å; F140-W150 AromaticContact CD2-CD1 3.67Å; F140-W150 HydrophobicContact CD2-CD2 4.41Å; F140-W150 AromaticContact CD2-CG 3.82Å; F140-W150 HydrophobicContact CD2-CG 3.82Å; F140-W150 HydrophobicContact CE2-CB 3.84Å; F140-W150 HydrophobicContact CE2-CD2 4.21Å; F140-W150 AromaticContact CE2-CG 3.8Å; F140-W150 HydrophobicContact CE2-CG 3.8Å; E148-W150 PolarHBondContact OE1-NE1 3.31Å; E148-W150 PolarHBondContact OE2-NE1 3.2Å; W150-Y169 HydrophobicContact CB-CD1 3.9Å; W150-Y169 HydrophobicContact CB-CE1 4.26Å; W150-Y169 HydrophobicContact CB-CG 4.49Å; W150-Y169 HydrophobicContact CE3-CD1 4.3Å; W150-Y169 AromaticContact CE3-CD2 4Å; W150-Y169 HydrophobicContact CE3-CD2 4Å; W150-Y169 AromaticContact CE3-CG 3.74Å; W150-Y169 HydrophobicContact CE3-CG 3.74Å; W150-Y169 HydrophobicContact CZ3-CD2 4.42Å; W150-Y169 HydrophobicContact CZ3-CG 4.47Å; W150-K171 HydrophobicContact CD2-CD 4.44Å; W150-K171 HydrophobicContact CZ3-CB 4.36Å; W150-D172 HydrophobicContact CH2-CB 4.44Å; W150-D172 HydrophobicContact CZ3-CB 3.88Å
151	R	97.7	Very high	91.4	Very high	113 Å²	113	68.8 Å²	68.8	43%	0.426	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.5	173	-168.7	167.7	-179.7	-128	8.8	110.5	V136 Y169 E170	V136-R151 CarbonylContact O-C 3.6Å; V136-R151 WeakPolarHBondContact O-CA 3.26Å; R151-Y169 WeakPolarHBondContact O-CA 3.36Å; R151-E170 HydrophobicContact CB-CG 4.46Å; R151-E170 WeakPolarHBondContact CD-OE2 3.38Å; R151-E170 HydrophobicContact CG-CG 4.39Å; R151-E170 IonicContact CZ-OE1 2.92Å; R151-E170 VanDerWaalsContact CZ-OE1 3.27Å; R151-E170 IonicContact NE-OE1 3.8Å; R151-E170 IonicContact NH1-OE1 3.98Å; R151-E170 PolarHBondContact NH1-OE1 2.99Å; R151-E170 IonicContact NH1-OE2 2.62Å; R151-E170 PolarHBondContact NH1-OE2 3.45Å; R151-E170 PolarHBondContact O-N 2.9Å
152	G	97.5	Very high	91.4	Very high	6 Å²	6	65.3 Å²	65.3	6%	0.062	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	-167.2	-175.3	0	0	0	0	0	113.4	A135 V136 T168	A135-G152 CarbonylContact C-O 3.58Å; A135-G152 WeakPolarHBondContact CA-O 3.09Å; V136-G152 PolarHBondContact N-O 3.27Å; V136-G152 PolarHBondContact O-N 3Å; G152-T168 CarbonylContact C-O 3.57Å; G152-T168 WeakPolarHBondContact CA-O 3.35Å
153	M	98.1	Very high	91.9	Very high	39 Å²	39	62.1 Å²	62.1	19%	0.192	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	130	-178	-171.9	-169.2	-45.7	0	0	110.7	K134 L155 I167 T168 K238	K134-M153 WeakPolarHBondContact O-CA 3.47Å; M153-L155 HydrophobicContact CG-CD2 4.47Å; M153-L155 HydrophobicContact SD-CD2 4.22Å; M153-I167 WeakPolarHBondContact O-CA 3.34Å; M153-I167 WeakPolarHBondContact O-CG1 3.22Å; M153-T168 PolarHBondContact N-O 3.29Å; M153-T168 PolarHBondContact O-N 2.96Å; M153-K238 HydrophobicContact CE-CD 4.01Å; M153-K238 HydrophobicContact SD-CD 3.77Å
154	V	98.4	Very high	92.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.3	173	-173.1	0	0	0	0	108.5	M131 G133 K134 V136 F165 I167 L180	M131-V154 WeakPolarHBondContact O-CB 3.17Å; G133-V154 VanDerWaalsContact CA-O 3.29Å; G133-V154 WeakPolarHBondContact CA-O 3.32Å; G133-V154 PolarHBondContact N-O 2.87Å; K134-V154 PolarHBondContact O-N 2.86Å; V136-V154 HydrophobicContact CG1-CG2 3.75Å; V136-V154 HydrophobicContact CG2-CG2 4.19Å; V154-F165 HydrophobicContact CG1-CB 4.13Å; V154-F165 HydrophobicContact CG1-CD1 4.11Å; V154-F165 HydrophobicContact CG1-CG 4.48Å; V154-I167 HydrophobicContact CG2-CD1 4.5Å; V154-L180 HydrophobicContact CB-CD1 4.4Å; V154-L180 HydrophobicContact CG1-CD1 4.02Å; V154-L180 HydrophobicContact CG2-CD1 3.6Å
155	L	98.2	Very high	93.3	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-46.8	-166.8	-58.3	164.8	0	0	0	111.7	M153 Y166 T168 L175 V235 V241 F243 V254	M153-L155 HydrophobicContact CG-CD2 4.47Å; M153-L155 HydrophobicContact SD-CD2 4.22Å; L155-Y166 PolarHBondContact N-O 3.33Å; L155-T168 HydrophobicContact CD1-CG2 4.04Å; L155-T168 HydrophobicContact CD2-CG2 4.04Å; L155-T168 HydrophobicContact CG-CG2 4.37Å; L155-L175 HydrophobicContact CD1-CD1 3.63Å; L155-V235 HydrophobicContact CB-CG1 4.31Å; L155-V235 HydrophobicContact CD2-CG2 4.33Å; L155-V235 WeakPolarHBondContact O-CG1 3.22Å; L155-V241 HydrophobicContact CD2-CG1 4.26Å; L155-F243 HydrophobicContact CD1-CE1 3.93Å; L155-F243 HydrophobicContact CD1-CZ 4.27Å; L155-V254 HydrophobicContact CD1-CG1 4.05Å; L155-V254 HydrophobicContact CD1-CG2 4.04Å; L155-V254 HydrophobicContact CD2-CG1 4.05Å
156	A	97.2	Very high	94.3	Very high	30 Å²	30	46.9 Å²	46.9	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	165.9	180	0	0	0	0	0	110.7	F165 Y166	A156-F165 CarbonylContact O-C 2.92Å; A156-F165 WeakPolarHBondContact O-CA 3.33Å; A156-Y166 HydrophobicContact CB-CD2 4.3Å; A156-Y166 PolarHBondContact O-N 2.8Å
157	Q	95.8	Very high	94.9	Very high	74 Å²	74	41.8 Å²	41.8	35%	0.346	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	141	162.9	-175.2	172.9	51.8	0	0	110.2	I132 N162 F165	I132-Q157 HydrophobicContact CD1-CB 4.27Å; Q157-N162 PolarHBondContact NE2-O 3.14Å; Q157-F165 HydrophobicContact CB-CD1 4.42Å; Q157-F165 HydrophobicContact CB-CE1 4.44Å
158	A	92.6	Very high	95.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	19%	0.189	C	C	.	.			trans	-75.4	129	-179.7	0	0	0	0	0	111.2	I160 M161 N162 W164 Y166 M177	A158-I160 PolarHBondContact O-N 2.83Å; A158-M161 CarbonylContact O-C 3.53Å; A158-N162 WeakPolarHBondContact O-CA 3.32Å; A158-W164 HydrophobicContact CB-CB 4.29Å; A158-W164 WeakPolarHBondContact CB-O 3.45Å; A158-W164 PolarHBondContact N-O 3.33Å; A158-Y166 HydrophobicContact CB-CD1 4.45Å; A158-Y166 HydrophobicContact CB-CE1 4.08Å; A158-M177 HydrophobicContact CB-CG 4.27Å; A158-M177 HydrophobicContact CB-SD 3.54Å; A158-M177 VanDerWaalsContact CB-SD 3.54Å
159	P	84.6	Confident	95.6	Very high	90 Å²	90	35 Å²	35	58%	0.584	18%	0.175	S	C	*	.	S	Bend	trans	-70.2	-32.3	-166.3	25	-34.7	0	0	0	114.5
160	I	90.6	Very high	95.6	Very high	52 Å²	52	36.2 Å²	36.2	27%	0.267	18%	0.181	S	C	.	.	S	Bend	trans	-92.5	-38.1	179.8	-62.3	-57.8	0	0	0	111.9	V54 T74 L76 V117 A158	V54-I160 HydrophobicContact CG1-CD1 4.27Å; V54-I160 HydrophobicContact CG1-CG1 4.48Å; T74-I160 HydrophobicContact CG2-CG2 3.99Å; L76-I160 HydrophobicContact CD2-CB 4.33Å; L76-I160 VanDerWaalsContact O-CG1 3.23Å; L76-I160 WeakPolarHBondContact O-CG1 3.43Å; V117-I160 HydrophobicContact CB-CG2 4.3Å; V117-I160 HydrophobicContact CG2-CG2 4.4Å; A158-I160 PolarHBondContact O-N 2.83Å
161	M	91.6	Very high	95.5	Very high	27 Å²	27	39.8 Å²	39.8	13%	0.133	20%	0.197	C	C	.	.	S	Bend	trans	-109.3	69.6	-176.2	-71.3	178.9	59.8	0	0	108.6	T74 L76 V117 A158 T163 W164 M177	T74-M161 HydrophobicContact CG2-SD 4.13Å; L76-M161 HydrophobicContact CD2-CG 4.31Å; L76-M161 HydrophobicContact CD2-SD 4.07Å; V117-M161 HydrophobicContact CG1-CG 3.96Å; V117-M161 HydrophobicContact CG2-CG 4.49Å; A158-M161 CarbonylContact O-C 3.53Å; M161-T163 PolarHBondContact O-N 2.64Å; M161-W164 HydrophobicContact CB-CB 4.3Å; M161-W164 HydrophobicContact CB-CG 4.14Å; M161-W164 HydrophobicContact CE-CD2 3.95Å; M161-W164 HydrophobicContact CE-CG 4.15Å; M161-W164 HydrophobicContact CE-CZ2 4.06Å; M161-W164 WeakPolarHBondContact O-CA 3.36Å; M161-W164 VanDerWaalsContact O-CB 3.26Å; M161-W164 WeakPolarHBondContact O-CB 3.39Å; M161-W164 PolarHBondContact O-N 2.61Å; M161-M177 HydrophobicContact CB-CE 3.99Å; M161-M177 HydrophobicContact CE-CE 3.71Å; M161-M177 HydrophobicContact CG-CE 4.41Å; M161-M177 HydrophobicContact SD-CE 3.7Å
162	N	90.2	Very high	95.4	Very high	43 Å²	43	36.9 Å²	36.9	23%	0.23	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15	-165.6	66.2	-15.5	0	0	0	117	A120 Q157 A158	A120-N162 PolarHBondContact O-ND2 3.45Å; A120-N162 PolarHBondContact O-OD1 3.49Å; Q157-N162 PolarHBondContact NE2-O 3.14Å; A158-N162 WeakPolarHBondContact O-CA 3.32Å
163	T	93.4	Very high	95.4	Very high	27 Å²	27	38.6 Å²	38.6	17%	0.166	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.5	169	53.9	0	0	0	0	113.6	A120 M161	A120-T163 HydrophobicContact CB-CG2 3.57Å; M161-T163 PolarHBondContact O-N 2.64Å
164	W	96.6	Very high	95.4	Very high	47 Å²	47	37 Å²	37	18%	0.178	19%	0.192	C	C	.	.			trans	-112.2	154.2	-178.8	-60.9	61.1	0	0	0	111.2	A158 M161 M177 Y178 Q179	A158-W164 HydrophobicContact CB-CB 4.29Å; A158-W164 WeakPolarHBondContact CB-O 3.45Å; A158-W164 PolarHBondContact N-O 3.33Å; M161-W164 HydrophobicContact CB-CB 4.3Å; M161-W164 HydrophobicContact CB-CG 4.14Å; M161-W164 HydrophobicContact CE-CD2 3.95Å; M161-W164 HydrophobicContact CE-CG 4.15Å; M161-W164 HydrophobicContact CE-CZ2 4.06Å; M161-W164 WeakPolarHBondContact O-CA 3.36Å; M161-W164 VanDerWaalsContact O-CB 3.26Å; M161-W164 WeakPolarHBondContact O-CB 3.39Å; M161-W164 PolarHBondContact O-N 2.61Å; W164-M177 HydrophobicContact CB-CE 3.74Å; W164-M177 HydrophobicContact CB-CG 3.81Å; W164-M177 HydrophobicContact CB-SD 4.08Å; W164-M177 HydrophobicContact CD2-CE 3.66Å; W164-M177 HydrophobicContact CE3-CE 3.62Å; W164-M177 HydrophobicContact CE3-CG 4.09Å; W164-M177 VanDerWaalsContact CE3-O 3.28Å; W164-M177 HydrophobicContact CG-CE 3.75Å; W164-M177 HydrophobicContact CZ3-CE 4.49Å; W164-M177 VanDerWaalsContact CZ3-O 3.25Å; W164-M177 WeakPolarHBondContact CZ3-O 3.46Å; W164-Y178 CarbonylContact C-O 3.55Å; W164-Y178 VanDerWaalsContact CA-O 3.26Å; W164-Y178 WeakPolarHBondContact CA-O 3.5Å; W164-Q179 HydrophobicContact CD2-CG 3.65Å; W164-Q179 VanDerWaalsContact CE2-CG 3.42Å; W164-Q179 HydrophobicContact CE3-CG 4.26Å; W164-Q179 HydrophobicContact CG-CG 3.88Å; W164-Q179 HydrophobicContact CH2-CG 4.42Å; W164-Q179 HydrophobicContact CZ2-CG 3.85Å; W164-Q179 VanDerWaalsContact CZ2-OE1 3.26Å
165	F	98.1	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	-176	-62	-100.4	0	0	0	110.1	A128 V154 A156 Q157 M177 Y178 L180 L181	A128-F165 HydrophobicContact CB-CE1 3.89Å; A128-F165 HydrophobicContact CB-CZ 3.62Å; V154-F165 HydrophobicContact CG1-CB 4.13Å; V154-F165 HydrophobicContact CG1-CD1 4.11Å; V154-F165 HydrophobicContact CG1-CG 4.48Å; A156-F165 CarbonylContact O-C 2.92Å; A156-F165 WeakPolarHBondContact O-CA 3.33Å; Q157-F165 HydrophobicContact CB-CD1 4.42Å; Q157-F165 HydrophobicContact CB-CE1 4.44Å; F165-M177 VanDerWaalsContact O-CA 3.26Å; F165-M177 WeakPolarHBondContact O-CA 3.41Å; F165-Y178 PolarHBondContact N-O 3.39Å; F165-Y178 PolarHBondContact O-N 2.84Å; F165-L180 HydrophobicContact CB-CB 4.39Å; F165-L180 HydrophobicContact CB-CD1 3.65Å; F165-L180 HydrophobicContact CB-CG 3.99Å; F165-L180 HydrophobicContact CD2-CB 3.87Å; F165-L180 HydrophobicContact CD2-CG 4.32Å; F165-L180 HydrophobicContact CG-CB 4.25Å; F165-L180 HydrophobicContact CG-CD1 4.22Å; F165-L180 HydrophobicContact CG-CG 4.39Å; F165-L181 HydrophobicContact CE2-CD1 4.06Å; F165-L181 HydrophobicContact CE2-CG 3.75Å; F165-L181 HydrophobicContact CZ-CD1 4.02Å; F165-L181 HydrophobicContact CZ-CD2 4.46Å; F165-L181 HydrophobicContact CZ-CG 3.85Å
166	Y	98.6	Very high	95.5	Very high	14 Å²	14	38.2 Å²	38.2	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.1	166.9	-68.4	-28.9	0	0	0	110.3	L76 I96 L155 A156 A158 L175 Y176 M177 F243	L76-Y166 HydrophobicContact CD1-CE1 3.99Å; I96-Y166 HydrophobicContact CD1-CE1 4.4Å; I96-Y166 HydrophobicContact CG1-CD1 4.32Å; I96-Y166 HydrophobicContact CG1-CE1 4.04Å; L155-Y166 PolarHBondContact N-O 3.33Å; A156-Y166 HydrophobicContact CB-CD2 4.3Å; A156-Y166 PolarHBondContact O-N 2.8Å; A158-Y166 HydrophobicContact CB-CD1 4.45Å; A158-Y166 HydrophobicContact CB-CE1 4.08Å; Y166-L175 HydrophobicContact CD1-CD1 4.31Å; Y166-L175 HydrophobicContact CD1-CG 4.47Å; Y166-L175 HydrophobicContact CG-CD1 4.02Å; Y166-Y176 WeakPolarHBondContact CA-O 3.29Å; Y166-M177 HydrophobicContact CD1-CB 4.16Å; Y166-M177 HydrophobicContact CD1-CG 3.92Å; Y166-M177 HydrophobicContact CD1-SD 4.16Å; Y166-M177 HydrophobicContact CE1-CB 4.49Å; Y166-M177 HydrophobicContact CE1-CG 4.14Å; Y166-M177 HydrophobicContact CE1-SD 3.75Å; Y166-F243 HydrophobicContact CD2-CE2 4.45Å; Y166-F243 HydrophobicContact CD2-CZ 4.46Å
167	I	98.7	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.1	-179.2	178.1	165.1	0	0	0	109.5	V136 M153 V154 Y169 Y176 Y178 L180	V136-I167 HydrophobicContact CG2-CD1 3.67Å; M153-I167 WeakPolarHBondContact O-CA 3.34Å; M153-I167 WeakPolarHBondContact O-CG1 3.22Å; V154-I167 HydrophobicContact CG2-CD1 4.5Å; I167-Y169 HydrophobicContact CD1-CE1 3.71Å; I167-Y169 HydrophobicContact CG1-CE1 3.98Å; I167-Y176 PolarHBondContact N-O 2.8Å; I167-Y176 WeakPolarHBondContact O-CB 3.35Å; I167-Y176 PolarHBondContact O-N 2.68Å; I167-Y178 HydrophobicContact CG2-CD2 3.73Å; I167-Y178 HydrophobicContact CG2-CE2 4.43Å; I167-L180 HydrophobicContact CB-CD1 4.28Å; I167-L180 HydrophobicContact CD1-CD1 4.04Å; I167-L180 HydrophobicContact CD1-CD2 4.25Å; I167-L180 HydrophobicContact CG2-CD1 4.45Å
168	T	98.7	Very high	95.6	Very high	13 Å²	13	34.9 Å²	34.9	8%	0.08	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.7	171.5	-172.3	0	0	0	0	109.4	G152 M153 L155 P173 V174 V254	G152-T168 CarbonylContact C-O 3.57Å; G152-T168 WeakPolarHBondContact CA-O 3.35Å; M153-T168 PolarHBondContact N-O 3.29Å; M153-T168 PolarHBondContact O-N 2.96Å; L155-T168 HydrophobicContact CD1-CG2 4.04Å; L155-T168 HydrophobicContact CD2-CG2 4.04Å; L155-T168 HydrophobicContact CG-CG2 4.37Å; T168-P173 WeakPolarHBondContact OG1-CA 3.14Å; T168-V174 PolarHBondContact OG1-O 3.13Å; T168-V254 HydrophobicContact CG2-CB 4.02Å; T168-V254 HydrophobicContact CG2-CG1 3.81Å
169	Y	98.2	Very high	95.8	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.3	-177	-55.6	-75.5	0	0	0	112.1	H138 F140 W150 R151 I167 K171 D172 Y176 Y178	H138-Y169 HydrophobicContact CB-CE1 3.96Å; H138-Y169 AromaticContact ND1-CZ 3.84Å; H138-Y169 PolarHBondContact ND1-OH 2.81Å; F140-Y169 HydrophobicContact CE2-CE1 4.38Å; F140-Y169 HydrophobicContact CZ-CE2 4.42Å; F140-Y169 AromaticContact CZ-CZ 3.96Å; W150-Y169 HydrophobicContact CB-CD1 3.9Å; W150-Y169 HydrophobicContact CB-CE1 4.26Å; W150-Y169 HydrophobicContact CB-CG 4.49Å; W150-Y169 HydrophobicContact CE3-CD1 4.3Å; W150-Y169 AromaticContact CE3-CD2 4Å; W150-Y169 HydrophobicContact CE3-CD2 4Å; W150-Y169 AromaticContact CE3-CG 3.74Å; W150-Y169 HydrophobicContact CE3-CG 3.74Å; W150-Y169 HydrophobicContact CZ3-CD2 4.42Å; W150-Y169 HydrophobicContact CZ3-CG 4.47Å; R151-Y169 WeakPolarHBondContact O-CA 3.36Å; I167-Y169 HydrophobicContact CD1-CE1 3.71Å; I167-Y169 HydrophobicContact CG1-CE1 3.98Å; Y169-K171 VanDerWaalsContact C-N 3.29Å; Y169-K171 PolarHBondContact O-N 3.31Å; Y169-D172 PolarHBondContact N-O 3.34Å; Y169-D172 CarbonylContact O-C 3.17Å; Y169-D172 PolarHBondContact O-N 3.34Å; Y169-D172 VanDerWaalsContact O-O 3.08Å; Y169-Y176 AromaticContact CD2-CD2 3.69Å; Y169-Y176 HydrophobicContact CD2-CD2 3.69Å; Y169-Y176 AromaticContact CD2-CE2 3.92Å; Y169-Y176 HydrophobicContact CD2-CE2 3.92Å; Y169-Y176 HydrophobicContact CD2-CG 4.35Å; Y169-Y176 HydrophobicContact CE2-CD1 4.45Å; Y169-Y176 AromaticContact CE2-CD2 3.63Å; Y169-Y176 HydrophobicContact CE2-CD2 3.63Å; Y169-Y176 HydrophobicContact CE2-CE2 4.16Å; Y169-Y176 AromaticContact CE2-CG 3.82Å; Y169-Y176 HydrophobicContact CE2-CG 3.82Å; Y169-Y178 HydrophobicContact CE2-CE2 4.28Å; Y169-Y178 VanDerWaalsContact OH-CE2 3.32Å; Y169-Y178 WeakPolarHBondContact OH-CE2 3.37Å
170	E	95.6	Very high	96.4	Very high	125 Å²	125	33.8 Å²	33.8	58%	0.584	16%	0.162	S	C	*	.	S	Bend	trans	-65.3	-33.9	-179.4	-64.8	-176.5	166.6	0	0	112.4	R151	R151-E170 HydrophobicContact CB-CG 4.46Å; R151-E170 WeakPolarHBondContact CD-OE2 3.38Å; R151-E170 HydrophobicContact CG-CG 4.39Å; R151-E170 IonicContact CZ-OE1 2.92Å; R151-E170 VanDerWaalsContact CZ-OE1 3.27Å; R151-E170 IonicContact NE-OE1 3.8Å; R151-E170 IonicContact NH1-OE1 3.98Å; R151-E170 PolarHBondContact NH1-OE1 2.99Å; R151-E170 IonicContact NH1-OE2 2.62Å; R151-E170 PolarHBondContact NH1-OE2 3.45Å; R151-E170 PolarHBondContact O-N 2.9Å
171	K	94.8	Very high	96.7	Very high	127 Å²	127	31.5 Å²	31.5	55%	0.552	15%	0.151	S	C	*	.	S	Bend	trans	-77.8	-24.9	178	-64.6	176.2	-178	163.8	0	113.4	E148 E149 W150 Y169	E148-K171 IonicContact OE1-NZ 2.72Å; E148-K171 PolarHBondContact OE1-NZ 2.81Å; E149-K171 PolarHBondContact O-NZ 2.67Å; E149-K171 VanDerWaalsContact O-NZ 3.15Å; W150-K171 HydrophobicContact CD2-CD 4.44Å; W150-K171 HydrophobicContact CZ3-CB 4.36Å; Y169-K171 VanDerWaalsContact C-N 3.29Å; Y169-K171 PolarHBondContact O-N 3.31Å
172	D	97.1	Very high	96.9	Very high	52 Å²	52	32.8 Å²	32.8	28%	0.278	16%	0.158	S	C	.	.	S	Bend	trans	-146.3	95	-179.3	-168.9	4.2	0	0	0	110	W150 Y169 V174 Y176	W150-D172 HydrophobicContact CH2-CB 4.44Å; W150-D172 HydrophobicContact CZ3-CB 3.88Å; Y169-D172 PolarHBondContact N-O 3.34Å; Y169-D172 CarbonylContact O-C 3.17Å; Y169-D172 PolarHBondContact O-N 3.34Å; Y169-D172 VanDerWaalsContact O-O 3.08Å; D172-V174 PolarHBondContact O-N 3.42Å; D172-V174 WeakPolarHBondContact OD1-CG2 3.3Å; D172-Y176 PolarHBondContact OD2-OH 2.81Å
173	P	96.8	Very high	97.2	Very high	42 Å²	42	32.5 Å²	32.5	27%	0.273	16%	0.156	S	C	.	.			trans	-80.2	46.6	-170.6	33.7	-36.9	0	0	0	112.5	T168 Y253 V254	T168-P173 WeakPolarHBondContact OG1-CA 3.14Å; P173-Y253 CarbonylContact O-C 3.56Å; P173-Y253 WeakPolarHBondContact O-CA 3.4Å; P173-V254 PolarHBondContact O-N 3.34Å
174	V	98.4	Very high	97.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-101.8	151.4	175.8	169.4	0	0	0	0	110.1	C95 T168 D172 Y176 H251 I252 Y253	C95-V174 HydrophobicContact CB-CG1 4.36Å; T168-V174 PolarHBondContact OG1-O 3.13Å; D172-V174 PolarHBondContact O-N 3.42Å; D172-V174 WeakPolarHBondContact OD1-CG2 3.3Å; V174-Y176 HydrophobicContact CB-CE2 4.04Å; V174-Y176 HydrophobicContact CG1-CE2 4.3Å; V174-Y176 VanDerWaalsContact O-CD2 3.23Å; V174-Y176 WeakPolarHBondContact O-CD2 3.27Å; V174-Y176 PolarHBondContact O-N 3.44Å; V174-H251 HydrophobicContact CG1-CB 4.07Å; V174-H251 HydrophobicContact CG2-CB 4.16Å; V174-I252 CarbonylContact C-O 3.55Å; V174-I252 WeakPolarHBondContact CA-O 3.04Å; V174-Y253 HydrophobicContact CG2-CD1 4.09Å; V174-Y253 HydrophobicContact CG2-CE1 3.9Å
175	L	98.6	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.			trans	-74.9	112.3	176.2	-172.7	63.5	0	0	0	110.6	I96 L155 Y166 F243 I252 V254	I96-L175 HydrophobicContact CB-CB 4.32Å; I96-L175 HydrophobicContact CB-CD2 3.91Å; I96-L175 HydrophobicContact CB-CG 4.01Å; I96-L175 HydrophobicContact CG1-CD2 4.15Å; I96-L175 HydrophobicContact CG1-CG 4.03Å; I96-L175 HydrophobicContact CG2-CD2 4.02Å; I96-L175 PolarHBondContact N-O 3.1Å; L155-L175 HydrophobicContact CD1-CD1 3.63Å; Y166-L175 HydrophobicContact CD1-CD1 4.31Å; Y166-L175 HydrophobicContact CD1-CG 4.47Å; Y166-L175 HydrophobicContact CG-CD1 4.02Å; L175-F243 HydrophobicContact CD1-CE1 4.04Å; L175-F243 HydrophobicContact CD1-CE2 4.16Å; L175-F243 HydrophobicContact CD1-CZ 3.73Å; L175-F243 HydrophobicContact CD2-CD2 4.07Å; L175-F243 HydrophobicContact CD2-CE2 3.85Å; L175-F243 HydrophobicContact CD2-CZ 4.28Å; L175-I252 HydrophobicContact CB-CB 3.87Å; L175-I252 HydrophobicContact CB-CG2 4.05Å; L175-I252 HydrophobicContact CD2-CB 4.12Å; L175-I252 HydrophobicContact CD2-CG2 3.93Å; L175-I252 PolarHBondContact N-O 2.98Å; L175-V254 HydrophobicContact CB-CG2 4.04Å; L175-V254 HydrophobicContact CD1-CG2 4.12Å
176	Y	98.6	Very high	97.2	Very high	30 Å²	30	46.3 Å²	46.3	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	164.2	172.1	-73.9	-92.1	0	0	0	111.6	D94 C95 Y166 I167 Y169 D172 V174 Y178	D94-Y176 HydrophobicContact CB-CD1 4.12Å; D94-Y176 CarbonylContact O-C 3.06Å; D94-Y176 WeakPolarHBondContact O-CA 3.41Å; C95-Y176 WeakPolarHBondContact SG-CE1 3.39Å; Y166-Y176 WeakPolarHBondContact CA-O 3.29Å; I167-Y176 PolarHBondContact N-O 2.8Å; I167-Y176 WeakPolarHBondContact O-CB 3.35Å; I167-Y176 PolarHBondContact O-N 2.68Å; Y169-Y176 AromaticContact CD2-CD2 3.69Å; Y169-Y176 HydrophobicContact CD2-CD2 3.69Å; Y169-Y176 AromaticContact CD2-CE2 3.92Å; Y169-Y176 HydrophobicContact CD2-CE2 3.92Å; Y169-Y176 HydrophobicContact CD2-CG 4.35Å; Y169-Y176 HydrophobicContact CE2-CD1 4.45Å; Y169-Y176 AromaticContact CE2-CD2 3.63Å; Y169-Y176 HydrophobicContact CE2-CD2 3.63Å; Y169-Y176 HydrophobicContact CE2-CE2 4.16Å; Y169-Y176 AromaticContact CE2-CG 3.82Å; Y169-Y176 HydrophobicContact CE2-CG 3.82Å; D172-Y176 PolarHBondContact OD2-OH 2.81Å; V174-Y176 HydrophobicContact CB-CE2 4.04Å; V174-Y176 HydrophobicContact CG1-CE2 4.3Å; V174-Y176 VanDerWaalsContact O-CD2 3.23Å; V174-Y176 WeakPolarHBondContact O-CD2 3.27Å; V174-Y176 PolarHBondContact O-N 3.44Å; Y176-Y178 AromaticContact CD1-CE2 3.84Å; Y176-Y178 HydrophobicContact CD1-CE2 3.84Å; Y176-Y178 HydrophobicContact CG-CE2 4.07Å
177	M	97.3	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	121	173.8	-164.5	-176.4	90.5	0	0	111.9	L76 K89 D94 I96 A158 M161 W164 F165 Y166	L76-M177 HydrophobicContact CD1-SD 3.8Å; L76-M177 HydrophobicContact CD2-SD 4.47Å; K89-M177 HydrophobicContact CB-CE 4.1Å; K89-M177 HydrophobicContact CD-CB 4.29Å; K89-M177 HydrophobicContact CD-CE 3.98Å; K89-M177 VanDerWaalsContact CE-O 3.26Å; K89-M177 WeakPolarHBondContact CE-O 3.4Å; K89-M177 HydrophobicContact CG-CE 3.79Å; D94-M177 PolarHBondContact O-N 2.82Å; I96-M177 HydrophobicContact CD1-CB 3.64Å; I96-M177 HydrophobicContact CD1-CG 4.43Å; I96-M177 HydrophobicContact CD1-SD 4.06Å; I96-M177 HydrophobicContact CG1-CB 4.03Å; A158-M177 HydrophobicContact CB-CG 4.27Å; A158-M177 HydrophobicContact CB-SD 3.54Å; A158-M177 VanDerWaalsContact CB-SD 3.54Å; M161-M177 HydrophobicContact CB-CE 3.99Å; M161-M177 HydrophobicContact CE-CE 3.71Å; M161-M177 HydrophobicContact CG-CE 4.41Å; M161-M177 HydrophobicContact SD-CE 3.7Å; W164-M177 HydrophobicContact CB-CE 3.74Å; W164-M177 HydrophobicContact CB-CG 3.81Å; W164-M177 HydrophobicContact CB-SD 4.08Å; W164-M177 HydrophobicContact CD2-CE 3.66Å; W164-M177 HydrophobicContact CE3-CE 3.62Å; W164-M177 HydrophobicContact CE3-CG 4.09Å; W164-M177 VanDerWaalsContact CE3-O 3.28Å; W164-M177 HydrophobicContact CG-CE 3.75Å; W164-M177 HydrophobicContact CZ3-CE 4.49Å; W164-M177 VanDerWaalsContact CZ3-O 3.25Å; W164-M177 WeakPolarHBondContact CZ3-O 3.46Å; F165-M177 VanDerWaalsContact O-CA 3.26Å; F165-M177 WeakPolarHBondContact O-CA 3.41Å; Y166-M177 HydrophobicContact CD1-CB 4.16Å; Y166-M177 HydrophobicContact CD1-CG 3.92Å; Y166-M177 HydrophobicContact CD1-SD 4.16Å; Y166-M177 HydrophobicContact CE1-CB 4.49Å; Y166-M177 HydrophobicContact CE1-CG 4.14Å; Y166-M177 HydrophobicContact CE1-SD 3.75Å
178	Y	97.9	Very high	97	Very high	34 Å²	34	49.1 Å²	49.1	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	165.9	-176.8	-69	-80.1	0	0	0	112.6	D94 F140 W164 F165 I167 Y169 Y176 L180	D94-Y178 HydrophobicContact CB-CD1 4.37Å; D94-Y178 HydrophobicContact CB-CE1 3.56Å; D94-Y178 HydrophobicContact CB-CE2 4.13Å; D94-Y178 VanDerWaalsContact CB-CZ 3.42Å; D94-Y178 WeakPolarHBondContact CB-OH 3.39Å; D94-Y178 VanDerWaalsContact CG-CE1 3.45Å; F140-Y178 HydrophobicContact CE1-CE1 4.28Å; F140-Y178 AromaticContact CE1-CZ 3.94Å; F140-Y178 HydrophobicContact CZ-CE2 4.36Å; W164-Y178 CarbonylContact C-O 3.55Å; W164-Y178 VanDerWaalsContact CA-O 3.26Å; W164-Y178 WeakPolarHBondContact CA-O 3.5Å; F165-Y178 PolarHBondContact N-O 3.39Å; F165-Y178 PolarHBondContact O-N 2.84Å; I167-Y178 HydrophobicContact CG2-CD2 3.73Å; I167-Y178 HydrophobicContact CG2-CE2 4.43Å; Y169-Y178 HydrophobicContact CE2-CE2 4.28Å; Y169-Y178 VanDerWaalsContact OH-CE2 3.32Å; Y169-Y178 WeakPolarHBondContact OH-CE2 3.37Å; Y176-Y178 AromaticContact CD1-CE2 3.84Å; Y176-Y178 HydrophobicContact CD1-CE2 3.84Å; Y176-Y178 HydrophobicContact CG-CE2 4.07Å; Y178-L180 VanDerWaalsContact C-N 3.29Å; Y178-L180 PolarHBondContact O-N 2.95Å
179	Q	96.6	Very high	97	Very high	68 Å²	68	48.7 Å²	48.7	32%	0.318	24%	0.24	S	C	.	.			trans	-88.3	59.3	174.3	-70.9	-172.5	-139	0	0	111.6	W164 L181 D182 D183	W164-Q179 HydrophobicContact CD2-CG 3.65Å; W164-Q179 VanDerWaalsContact CE2-CG 3.42Å; W164-Q179 HydrophobicContact CE3-CG 4.26Å; W164-Q179 HydrophobicContact CG-CG 3.88Å; W164-Q179 HydrophobicContact CH2-CG 4.42Å; W164-Q179 HydrophobicContact CZ2-CG 3.85Å; W164-Q179 VanDerWaalsContact CZ2-OE1 3.26Å; Q179-L181 PolarHBondContact O-N 2.87Å; Q179-D182 HydrophobicContact CB-CB 4.5Å; Q179-D182 PolarHBondContact NE2-OD2 3.02Å; Q179-D182 WeakPolarHBondContact O-CB 3.32Å; Q179-D182 PolarHBondContact O-N 2.89Å; Q179-D183 VanDerWaalsContact C-OD2 3.26Å
180	L	97.7	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53	-22.3	-168.1	-62.7	-175.2	0	0	0	116.7	M131 V154 F165 I167 Y178 D182 D183 Y184 L189	M131-L180 HydrophobicContact CE-CB 3.62Å; V154-L180 HydrophobicContact CB-CD1 4.4Å; V154-L180 HydrophobicContact CG1-CD1 4.02Å; V154-L180 HydrophobicContact CG2-CD1 3.6Å; F165-L180 HydrophobicContact CB-CB 4.39Å; F165-L180 HydrophobicContact CB-CD1 3.65Å; F165-L180 HydrophobicContact CB-CG 3.99Å; F165-L180 HydrophobicContact CD2-CB 3.87Å; F165-L180 HydrophobicContact CD2-CG 4.32Å; F165-L180 HydrophobicContact CG-CB 4.25Å; F165-L180 HydrophobicContact CG-CD1 4.22Å; F165-L180 HydrophobicContact CG-CG 4.39Å; I167-L180 HydrophobicContact CB-CD1 4.28Å; I167-L180 HydrophobicContact CD1-CD1 4.04Å; I167-L180 HydrophobicContact CD1-CD2 4.25Å; I167-L180 HydrophobicContact CG2-CD1 4.45Å; Y178-L180 VanDerWaalsContact C-N 3.29Å; Y178-L180 PolarHBondContact O-N 2.95Å; L180-D182 VanDerWaalsContact C-N 3.3Å; L180-D183 VanDerWaalsContact CA-OD2 3.24Å; L180-D183 WeakPolarHBondContact CA-OD2 3.39Å; L180-D183 PolarHBondContact N-OD2 3.21Å; L180-Y184 VanDerWaalsContact O-CB 3.32Å; L180-Y184 WeakPolarHBondContact O-CB 3.18Å; L180-Y184 PolarHBondContact O-N 2.82Å; L180-L189 HydrophobicContact CB-CD2 3.7Å; L180-L189 HydrophobicContact CD1-CD2 4.37Å; L180-L189 HydrophobicContact CD2-CD1 4.27Å; L180-L189 HydrophobicContact CD2-CD2 3.99Å; L180-L189 HydrophobicContact CG-CD2 4.23Å; L180-L189 WeakPolarHBondContact O-CD2 3.39Å
181	L	96.6	Very high	97	Very high	4 Å²	4	51 Å²	51	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-28.1	172.5	-72.1	173.9	0	0	0	113.3	V122 L127 A128 M131 F165 Q179 K185	V122-L181 HydrophobicContact CG1-CD1 3.67Å; L127-L181 HydrophobicContact CB-CD2 4.04Å; L127-L181 HydrophobicContact CD2-CD2 3.69Å; L127-L181 HydrophobicContact CG-CD2 3.7Å; A128-L181 HydrophobicContact CB-CD1 4.29Å; A128-L181 HydrophobicContact CB-CD2 4.4Å; M131-L181 HydrophobicContact SD-CD2 3.87Å; F165-L181 HydrophobicContact CE2-CD1 4.06Å; F165-L181 HydrophobicContact CE2-CG 3.75Å; F165-L181 HydrophobicContact CZ-CD1 4.02Å; F165-L181 HydrophobicContact CZ-CD2 4.46Å; F165-L181 HydrophobicContact CZ-CG 3.85Å; Q179-L181 PolarHBondContact O-N 2.87Å; L181-K185 VanDerWaalsContact O-CD 3.24Å; L181-K185 WeakPolarHBondContact O-CD 3.19Å; L181-K185 WeakPolarHBondContact O-CE 3.23Å; L181-K185 WeakPolarHBondContact O-CG 3.48Å; L181-K185 PolarHBondContact O-N 2.81Å; L181-K185 PolarHBondContact O-NZ 3.35Å
182	D	96.1	Very high	97	Very high	54 Å²	54	46.9 Å²	46.9	29%	0.289	23%	0.229	S	C	.	.	H	α-helix	trans	-82.4	-45	178	-59	-34.9	0	0	0	109.1	Q179 L180 Y184 K185 E186	Q179-D182 HydrophobicContact CB-CB 4.5Å; Q179-D182 PolarHBondContact NE2-OD2 3.02Å; Q179-D182 WeakPolarHBondContact O-CB 3.32Å; Q179-D182 PolarHBondContact O-N 2.89Å; L180-D182 VanDerWaalsContact C-N 3.3Å; D182-Y184 VanDerWaalsContact C-N 3.27Å; D182-Y184 PolarHBondContact O-N 2.96Å; D182-K185 PolarHBondContact O-N 2.81Å; D182-K185 IonicContact OD1-NZ 2.73Å; D182-K185 PolarHBondContact OD1-NZ 2.9Å; D182-E186 PolarHBondContact O-N 2.85Å
183	D	97.1	Very high	96.6	Very high	36 Å²	36	49.7 Å²	49.7	19%	0.193	25%	0.251	C	S	.	.	H	α-helix	trans	-54.9	-40.8	172	-50.4	-57	0	0	0	111.8	H138 Q179 L180 E186 G187 D188 L189	H138-D183 IonicContact NE2-OD1 2.71Å; H138-D183 IonicContact NE2-OD2 3.21Å; Q179-D183 VanDerWaalsContact C-OD2 3.26Å; L180-D183 VanDerWaalsContact CA-OD2 3.24Å; L180-D183 WeakPolarHBondContact CA-OD2 3.39Å; L180-D183 PolarHBondContact N-OD2 3.21Å; D183-E186 PolarHBondContact O-N 2.98Å; D183-G187 PolarHBondContact O-N 3.48Å; D183-D188 PolarHBondContact O-N 2.62Å; D183-L189 HydrophobicContact CB-CB 3.99Å; D183-L189 PolarHBondContact O-N 2.86Å
184	Y	96.6	Very high	95.5	Very high	99 Å²	99	52 Å²	52	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-39.9	174.3	-177.2	-90.6	0	0	0	113.5	L127 L180 D182 G187 L189 I191	L127-Y184 HydrophobicContact CD1-CE1 4.24Å; L127-Y184 HydrophobicContact CD2-CD1 3.53Å; L127-Y184 HydrophobicContact CD2-CE1 3.72Å; L127-Y184 HydrophobicContact CD2-CG 4.17Å; L180-Y184 VanDerWaalsContact O-CB 3.32Å; L180-Y184 WeakPolarHBondContact O-CB 3.18Å; L180-Y184 PolarHBondContact O-N 2.82Å; D182-Y184 VanDerWaalsContact C-N 3.27Å; D182-Y184 PolarHBondContact O-N 2.96Å; Y184-G187 PolarHBondContact O-N 2.97Å; Y184-L189 WeakPolarHBondContact CD2-O 3.28Å; Y184-I191 HydrophobicContact CD2-CD1 4.29Å; Y184-I191 HydrophobicContact CD2-CG1 4.26Å; Y184-I191 HydrophobicContact CE2-CD1 3.89Å; Y184-I191 HydrophobicContact CE2-CG1 4.05Å
185	K	96.1	Very high	93.7	Very high	115 Å²	115	57.5 Å²	57.5	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-70.5	-34.4	178.7	-67.8	159.2	-158	154.1	0	112	S123 L181 D182 G187	S123-K185 PolarHBondContact OG-NZ 2.78Å; L181-K185 VanDerWaalsContact O-CD 3.24Å; L181-K185 WeakPolarHBondContact O-CD 3.19Å; L181-K185 WeakPolarHBondContact O-CE 3.23Å; L181-K185 WeakPolarHBondContact O-CG 3.48Å; L181-K185 PolarHBondContact O-N 2.81Å; L181-K185 PolarHBondContact O-NZ 3.35Å; D182-K185 PolarHBondContact O-N 2.81Å; D182-K185 IonicContact OD1-NZ 2.73Å; D182-K185 PolarHBondContact OD1-NZ 2.9Å; K185-G187 PolarHBondContact O-N 2.97Å
186	E	95.8	Very high	91.3	Very high	150 Å²	150	63.1 Å²	63.1	70%	0.701	33%	0.329	S	S	*	.	H	α-helix	trans	-76.1	-10.8	177.3	-66.5	-174	-169.7	0	0	112.2	D182 D183	D182-E186 PolarHBondContact O-N 2.85Å; D183-E186 PolarHBondContact O-N 2.98Å
187	G	95.9	Very high	88.6	Confident	48 Å²	48	69.8 Å²	69.8	50%	0.495	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	14	-179.9	0	0	0	0	0	113.5	M139 D183 Y184 K185	M139-G187 WeakPolarHBondContact CE-O 3.47Å; D183-G187 PolarHBondContact O-N 3.48Å; Y184-G187 PolarHBondContact O-N 2.97Å; K185-G187 PolarHBondContact O-N 2.97Å
188	D	97.2	Very high	86.1	Confident	25 Å²	25	73.5 Å²	73.5	13%	0.134	39%	0.393	C	S	.	.			trans	-94.1	-1	-178.8	-80.5	-8.6	0	0	0	113.6	H138 M139 K147 D183	H138-D188 PolarHBondContact CD2-O 3.38Å; M139-D188 HydrophobicContact CB-CB 4.46Å; M139-D188 VanDerWaalsContact CE-C 3.49Å; M139-D188 PolarHBondContact N-O 2.85Å; M139-D188 VanDerWaalsContact SD-O 3.37Å; K147-D188 IonicContact NZ-OD1 2.68Å; K147-D188 PolarHBondContact NZ-OD1 3.43Å; K147-D188 IonicContact NZ-OD2 2.9Å; K147-D188 PolarHBondContact NZ-OD2 2.82Å; D183-D188 PolarHBondContact O-N 2.62Å
189	L	98	Very high	83.6	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.026	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.9	173.4	-173.4	77.4	0	0	0	111.3	M131 V136 E137 H138 L180 D183 Y184	M131-L189 HydrophobicContact CE-CD2 3.26Å; V136-L189 HydrophobicContact CB-CD1 3.9Å; V136-L189 HydrophobicContact CG1-CD1 4.33Å; V136-L189 HydrophobicContact CG2-CD1 4.01Å; E137-L189 WeakPolarHBondContact O-CA 3.45Å; H138-L189 HydrophobicContact CB-CD1 3.72Å; L180-L189 HydrophobicContact CB-CD2 3.7Å; L180-L189 HydrophobicContact CD1-CD2 4.37Å; L180-L189 HydrophobicContact CD2-CD1 4.27Å; L180-L189 HydrophobicContact CD2-CD2 3.99Å; L180-L189 HydrophobicContact CG-CD2 4.23Å; L180-L189 WeakPolarHBondContact O-CD2 3.39Å; D183-L189 HydrophobicContact CB-CB 3.99Å; D183-L189 PolarHBondContact O-N 2.86Å; Y184-L189 WeakPolarHBondContact CD2-O 3.28Å
190	R	97.4	Very high	81.4	Confident	133 Å²	133	79.3 Å²	79.3	50%	0.502	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.3	175.1	-174.3	164.8	77.6	-178.9	6	110.5	V136 E137 M192	V136-R190 CarbonylContact C-O 3.58Å; V136-R190 WeakPolarHBondContact CA-O 3.04Å; V136-R190 WeakPolarHBondContact CB-O 3.4Å; E137-R190 HydrophobicContact CB-CB 4.47Å; E137-R190 VanDerWaalsContact CD-NH2 3.25Å; E137-R190 PolarHBondContact N-O 2.88Å; E137-R190 PolarHBondContact O-N 2.71Å; E137-R190 IonicContact OE1-NH2 3.33Å; E137-R190 PolarHBondContact OE1-NH2 2.99Å; E137-R190 VanDerWaalsContact OE1-NH2 3.1Å; E137-R190 IonicContact OE2-CZ 3.27Å; E137-R190 IonicContact OE2-NE 3.77Å; E137-R190 PolarHBondContact OE2-NE 2.86Å; E137-R190 IonicContact OE2-NH2 3.26Å; E137-R190 PolarHBondContact OE2-NH2 3.38Å; R190-M192 HydrophobicContact CG-SD 4.49Å
191	I	96.9	Very high	78.9	Confident	44 Å²	44	83.4 Å²	83.4	23%	0.226	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.2	168.6	-53.3	172.2	0	0	0	108	L127 M131 K134 Y184	L127-I191 HydrophobicContact CD1-CD1 4.01Å; M131-I191 HydrophobicContact CG-CD1 3.55Å; M131-I191 HydrophobicContact CG-CG1 4.22Å; K134-I191 HydrophobicContact CB-CG2 3.86Å; K134-I191 HydrophobicContact CG-CG2 3.95Å; Y184-I191 HydrophobicContact CD2-CD1 4.29Å; Y184-I191 HydrophobicContact CD2-CG1 4.26Å; Y184-I191 HydrophobicContact CE2-CD1 3.89Å; Y184-I191 HydrophobicContact CE2-CG1 4.05Å
192	M	94.6	Very high	76.3	Confident	41 Å²	41	92.3 Å²	92.3	20%	0.202	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-81.4	143	177.9	-61	-59.8	-83.5	0	0	110.2	A135 E137 R190	A135-M192 HydrophobicContact CB-CB 4.15Å; A135-M192 HydrophobicContact CB-CG 4.48Å; A135-M192 WeakPolarHBondContact O-CB 3.33Å; A135-M192 PolarHBondContact O-N 2.85Å; E137-M192 HydrophobicContact CG-CE 4.43Å; E137-M192 HydrophobicContact CG-CG 4.41Å; E137-M192 HydrophobicContact CG-SD 3.92Å; E137-M192 WeakPolarHBondContact OE1-CE 3.33Å; E137-M192 VanDerWaalsContact OE1-SD 3.35Å; R190-M192 HydrophobicContact CG-SD 4.49Å
193	P	87.8	Confident	74.4	Confident	111 Å²	111	97.3 Å²	97.3	72%	0.721	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-60.9	141.1	171.5	27.2	-34	0	0	0	109.8	S195	P193-S195 PolarHBondContact O-N 3.5Å
194	D	74.5	Confident	72.1	Confident	90 Å²	90	102.8 Å²	102.8	48%	0.481	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-62.3	128.6	177.2	-60.2	-77.8	0	0	0	110.2	K134 N196	K134-D194 WeakPolarHBondContact CD-OD1 3.48Å; K134-D194 IonicContact NZ-OD1 3.44Å; K134-D194 PolarHBondContact NZ-OD1 2.94Å; K134-D194 IonicContact NZ-OD2 2.98Å; K134-D194 PolarHBondContact NZ-OD2 3.38Å; D194-N196 PolarHBondContact O-N 2.88Å
195	S	59.9	Low	69.3	Low	121 Å²	121	104.7 Å²	104.7	85%	0.846	58%	0.58	S	S	*	*	S	Bend	trans	-69.1	-9	170.4	-43.3	0	0	0	0	112.9	P193	P193-S195 PolarHBondContact O-N 3.5Å
196	N	49.3	Very low	67.3	Low	117 Å²	117	102.5 Å²	102.5	63%	0.626	59%	0.59	S	S	*	*			trans	-116.9	93.7	179.1	-84.9	-14.6	0	0	0	110.1	D194 S198	D194-N196 PolarHBondContact O-N 2.88Å; N196-S198 PolarHBondContact O-N 3.41Å
197	D	42.2	Very low	65.2	Low	170 Å²	170	101 Å²	101	91%	0.909	58%	0.583	S	S	*	*			trans	-71.3	-3.2	151.3	-95.1	-35.8	0	0	0	111.7
198	S	43.6	Very low	63.2	Low	79 Å²	79	104.5 Å²	104.5	55%	0.552	60%	0.595	S	S	*	*	S	Bend	trans	-64.6	123.5	165.4	-57.5	0	0	0	0	109	N196	N196-S198 PolarHBondContact O-N 3.41Å
199	P	45.8	Very low	61.5	Low	100 Å²	100	106.3 Å²	106.3	65%	0.649	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-54.3	152.6	165.8	25.3	-33.7	0	0	0	109.1	A201	P199-A201 PolarHBondContact O-N 2.67Å
200	P	50.1	Low	60.6	Low	123 Å²	123	111.5 Å²	111.5	80%	0.799	63%	0.634	S	S	*	*	S	Bend	trans	-52.4	116.6	172.7	23.7	-33.2	0	0	0	107.1	E202	P200-E202 PolarHBondContact O-N 3.13Å; P200-E202 VanDerWaalsContact O-N 3.07Å
201	A	44.8	Very low	60.1	Low	87 Å²	87	107.5 Å²	107.5	72%	0.719	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-47.4	122.9	-169.2	0	0	0	0	0	108.7	P199 R203	P199-A201 PolarHBondContact O-N 2.67Å; A201-R203 PolarHBondContact O-N 3.46Å
202	E	43.6	Very low	59.9	Low	190 Å²	190	107.7 Å²	107.7	89%	0.888	63%	0.628	S	S	*	*			trans	-55	103.6	-177.1	-69.8	-172.4	153.3	0	0	107.1	P200 E204	P200-E202 PolarHBondContact O-N 3.13Å; P200-E202 VanDerWaalsContact O-N 3.07Å; E202-E204 PolarHBondContact O-N 2.81Å; E202-E204 VanDerWaalsContact O-N 3.16Å
203	R	55	Low	60	Low	159 Å²	159	108.1 Å²	108.1	60%	0.6	63%	0.633	S	S	*	*			trans	-60.6	125.7	179.1	-73.1	-176.9	-179.9	151.6	0.6	106.1	A201 P205	A201-R203 PolarHBondContact O-N 3.46Å; R203-P205 VanDerWaalsContact O-N 3.11Å
204	E	48.3	Very low	60.4	Low	151 Å²	151	104.6 Å²	104.6	71%	0.706	62%	0.616	S	S	*	*			trans	-40.6	122.1	168.1	-78	-89.6	139.3	0	0	107.8	E202 G206 E207	E202-E204 PolarHBondContact O-N 2.81Å; E202-E204 VanDerWaalsContact O-N 3.16Å; E204-G206 VanDerWaalsContact C-N 3.27Å; E204-G206 PolarHBondContact O-N 3.48Å; E204-E207 HydrophobicContact CB-CB 4.49Å; E204-E207 PolarHBondContact O-N 2.64Å
205	P	38.7	Very low	61.4	Low	140 Å²	140	104.8 Å²	104.8	91%	0.909	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	87.1	-172.8	22.3	-31.6	0	0	0	110.8	R203	R203-P205 VanDerWaalsContact O-N 3.11Å
206	G	53.7	Low	63.1	Low	68 Å²	68	104.7 Å²	104.7	70%	0.701	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.7	-18.3	-169.9	0	0	0	0	0	114.8	E204 V208	E204-G206 VanDerWaalsContact C-N 3.27Å; E204-G206 PolarHBondContact O-N 3.48Å; G206-V208 PolarHBondContact O-N 3.12Å
207	E	51.9	Low	65.2	Low	119 Å²	119	101 Å²	101	56%	0.556	58%	0.58	S	S	*	*			trans	-76.4	86.4	179.5	-163	-175.3	-177.7	0	0	112.2	E204 V209	E204-E207 HydrophobicContact CB-CB 4.49Å; E204-E207 PolarHBondContact O-N 2.64Å; E207-V209 HydrophobicContact CG-CG2 4.47Å; E207-V209 PolarHBondContact O-N 2.76Å
208	V	54.8	Low	67.5	Low	122 Å²	122	98.2 Å²	98.2	74%	0.739	56%	0.562	S	S	*	*			trans	-79.5	98.1	168.3	-173.5	0	0	0	0	108.7	G206 D210	G206-V208 PolarHBondContact O-N 3.12Å; V208-D210 PolarHBondContact O-N 3.38Å
209	V	61.8	Low	69.5	Low	63 Å²	63	99.8 Å²	99.8	38%	0.382	56%	0.557	S	S	.	*			trans	-69.2	101.2	164.2	-179.6	0	0	0	0	107.8	E207 S211	E207-V209 HydrophobicContact CG-CG2 4.47Å; E207-V209 PolarHBondContact O-N 2.76Å; V209-S211 PolarHBondContact O-N 3.34Å; V209-S211 VanDerWaalsContact O-N 3.12Å
210	D	77.9	Confident	71.4	Confident	114 Å²	114	98.3 Å²	98.3	61%	0.61	55%	0.553	S	S	*	*			trans	-47.5	118.1	175	-85.2	-16.6	0	0	0	111.1	V208 L212	V208-D210 PolarHBondContact O-N 3.38Å; D210-L212 PolarHBondContact O-N 3.18Å
211	S	86.4	Confident	72.9	Confident	48 Å²	48	95.8 Å²	95.8	34%	0.336	53%	0.529	S	S	.	.			trans	-55.9	137.5	176.6	-169.8	0	0	0	0	110.5	V209 V213 Q234	V209-S211 PolarHBondContact O-N 3.34Å; V209-S211 VanDerWaalsContact O-N 3.12Å; S211-V213 PolarHBondContact O-N 2.92Å; S211-V213 WeakPolarHBondContact OG-CG2 3.15Å; S211-V213 PolarHBondContact OG-N 2.94Å; S211-Q234 PolarHBondContact OG-OE1 2.8Å
212	L	93.6	Very high	74.6	Confident	48 Å²	48	101.2 Å²	101.2	25%	0.251	54%	0.54	S	S	.	.			trans	-80.3	-5.7	176.4	-57.1	-179.5	0	0	0	112.7	D210 G214 K215 V231 Y242 L257	D210-L212 PolarHBondContact O-N 3.18Å; L212-G214 PolarHBondContact O-N 3Å; L212-K215 HydrophobicContact CB-CD 4.47Å; L212-K215 HydrophobicContact CD2-CD 3.92Å; L212-K215 WeakPolarHBondContact O-CB 3.4Å; L212-K215 WeakPolarHBondContact O-CG 3.42Å; L212-K215 PolarHBondContact O-N 2.83Å; L212-V231 HydrophobicContact CB-CG1 4.29Å; L212-V231 HydrophobicContact CB-CG2 4.3Å; L212-V231 VanDerWaalsContact O-CB 3.32Å; L212-V231 WeakPolarHBondContact O-CB 3.47Å; L212-Y242 HydrophobicContact CB-CD1 4.29Å; L212-Y242 HydrophobicContact CB-CE1 3.77Å; L212-Y242 HydrophobicContact CD1-CE2 4.02Å; L212-Y242 HydrophobicContact CG-CE1 4.27Å; L212-Y242 HydrophobicContact CG-CE2 4.37Å; L212-L257 HydrophobicContact CD1-CB 4.05Å; L212-L257 HydrophobicContact CD1-CD1 3.74Å
213	V	96.2	Very high	76.4	Confident	51 Å²	51	98.4 Å²	98.4	31%	0.309	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.2	-178.7	174.4	0	0	0	0	111.6	V81 S211 K215 V231 Q234 Y242	V81-V213 HydrophobicContact CG1-CG1 3.66Å; V81-V213 HydrophobicContact CG2-CG1 4.45Å; S211-V213 PolarHBondContact O-N 2.92Å; S211-V213 WeakPolarHBondContact OG-CG2 3.15Å; S211-V213 PolarHBondContact OG-N 2.94Å; V213-K215 VanDerWaalsContact C-N 3.31Å; V213-V231 HydrophobicContact CG2-CG1 4.21Å; V213-Q234 HydrophobicContact CG2-CB 3.86Å; V213-Y242 HydrophobicContact CG2-CD1 4.38Å; V213-Y242 HydrophobicContact CG2-CE1 4.44Å
214	G	95.9	Very high	77.5	Confident	36 Å²	36	94.1 Å²	94.1	37%	0.371	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-10	-174.5	0	0	0	0	0	115	L212 V231	L212-G214 PolarHBondContact O-N 3Å; G214-V231 PolarHBondContact N-O 3.49Å
215	K	95.8	Very high	79.2	Confident	94 Å²	94	88.2 Å²	88.2	41%	0.409	52%	0.516	S	S	.	.			trans	-76.5	144.4	175.8	-60.2	-179.4	-173.4	171.1	0	110.8	L212 V213 V231	L212-K215 HydrophobicContact CB-CD 4.47Å; L212-K215 HydrophobicContact CD2-CD 3.92Å; L212-K215 WeakPolarHBondContact O-CB 3.4Å; L212-K215 WeakPolarHBondContact O-CG 3.42Å; L212-K215 PolarHBondContact O-N 2.83Å; V213-K215 VanDerWaalsContact C-N 3.31Å; K215-V231 PolarHBondContact O-N 2.91Å
216	Q	95.3	Very high	81.7	Confident	120 Å²	120	88.2 Å²	88.2	56%	0.561	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.6	168.1	-70.7	-70	-38.3	0	0	109.6	G229	Q216-G229 CarbonylContact C-O 3.55Å; Q216-G229 WeakPolarHBondContact CA-O 3.42Å; Q216-G229 PolarHBondContact OE1-O 2.68Å; Q216-G229 VanDerWaalsContact OE1-O 3.13Å
217	V	93.3	Very high	83.5	Confident	38 Å²	38	86.4 Å²	86.4	23%	0.23	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.9	176.5	-70.1	0	0	0	0	110	T228 G229 V231 I244 F246	V217-T228 WeakPolarHBondContact O-CA 3.18Å; V217-G229 WeakPolarHBondContact CG2-O 3.36Å; V217-G229 PolarHBondContact N-O 2.61Å; V217-G229 PolarHBondContact O-N 2.87Å; V217-V231 HydrophobicContact CG1-CG2 3.69Å; V217-I244 HydrophobicContact CG2-CD1 4.32Å; V217-I244 HydrophobicContact CG2-CG2 3.68Å; V217-F246 HydrophobicContact CG2-CE1 4.47Å
218	E	92.1	Very high	85.6	Confident	112 Å²	112	83.9 Å²	83.9	52%	0.523	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.6	173.5	-166.3	-169	81.6	0	0	108.6	K226 R227	E218-K226 HydrophobicContact CG-CB 4.07Å; E218-K226 HydrophobicContact CG-CD 4.5Å; E218-K226 HydrophobicContact CG-CG 4.22Å; E218-K226 WeakPolarHBondContact OE1-CE 3.32Å; E218-K226 IonicContact OE1-NZ 3.56Å; E218-K226 PolarHBondContact OE1-NZ 2.87Å; E218-K226 WeakPolarHBondContact OE2-CD 3.36Å; E218-K226 IonicContact OE2-NZ 2.71Å; E218-K226 PolarHBondContact OE2-NZ 3Å; E218-R227 CarbonylContact C-O 3.56Å; E218-R227 WeakPolarHBondContact CA-O 3.32Å
219	Y	84.1	Confident	87.6	Confident	112 Å²	112	78 Å²	78	44%	0.439	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.4	174.7	-179.4	-91.3	0	0	0	109.8	K221 R227	Y219-K221 HydrophobicContact CD1-CG 4.44Å; Y219-K221 PolarHBondContact O-N 3.01Å; Y219-R227 PolarHBondContact N-O 2.81Å; Y219-R227 PolarHBondContact O-N 3.25Å
220	A	85.4	Confident	89.3	Confident	69 Å²	69	76.8 Å²	76.8	57%	0.57	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.4	172.4	0	0	0	0	0	109.5
221	K	81.9	Confident	90.2	Very high	70 Å²	70	71.4 Å²	71.4	30%	0.304	39%	0.393	S	S	.	.			trans	-73.1	152.9	171.6	-63.4	-177.3	-174.2	-175.5	0	109.1	Y219 D223 G224 G225 R227 D248	Y219-K221 HydrophobicContact CD1-CG 4.44Å; Y219-K221 PolarHBondContact O-N 3.01Å; K221-D223 WeakPolarHBondContact CB-OD1 3.22Å; K221-D223 PolarHBondContact O-N 2.93Å; K221-G224 PolarHBondContact O-N 3.13Å; K221-G225 PolarHBondContact N-O 2.82Å; K221-R227 HydrophobicContact CG-CB 4.46Å; K221-D248 IonicContact NZ-OD2 2.99Å; K221-D248 PolarHBondContact NZ-OD2 3.47Å
222	E	80.4	Confident	90.8	Very high	202 Å²	202	69.4 Å²	69.4	94%	0.944	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24	-178.5	-61.5	-176.8	160.8	0	0	113.3	G224	E222-G224 PolarHBondContact O-N 2.93Å
223	D	82	Confident	91	Very high	131 Å²	131	70.6 Å²	70.6	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	3	174.1	64.4	3.2	0	0	0	113.9	K221 G225	K221-D223 WeakPolarHBondContact CB-OD1 3.22Å; K221-D223 PolarHBondContact O-N 2.93Å; D223-G225 PolarHBondContact O-N 2.93Å; D223-G225 WeakPolarHBondContact OD1-CA 3.34Å; D223-G225 PolarHBondContact OD1-N 2.88Å
224	G	78.8	Confident	91	Very high	68 Å²	68	70.4 Å²	70.4	70%	0.701	38%	0.378	S	S	*	.	S	Bend	trans	80.7	-0.9	-174.5	0	0	0	0	0	114	K221 E222	K221-G224 PolarHBondContact O-N 3.13Å; E222-G224 PolarHBondContact O-N 2.93Å
225	G	84	Confident	91	Very high	28 Å²	28	68.9 Å²	68.9	29%	0.289	36%	0.361	S	S	.	.			trans	-68.4	161.6	171.7	0	0	0	0	0	112.3	K221 D223	K221-G225 PolarHBondContact N-O 2.82Å; D223-G225 PolarHBondContact O-N 2.93Å; D223-G225 WeakPolarHBondContact OD1-CA 3.34Å; D223-G225 PolarHBondContact OD1-N 2.88Å
226	K	89.9	Confident	90.9	Very high	140 Å²	140	72.8 Å²	72.8	61%	0.609	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.1	175.2	-74.7	166.5	161.8	-126.9	0	109.7	E218	E218-K226 HydrophobicContact CG-CB 4.07Å; E218-K226 HydrophobicContact CG-CD 4.5Å; E218-K226 HydrophobicContact CG-CG 4.22Å; E218-K226 WeakPolarHBondContact OE1-CE 3.32Å; E218-K226 IonicContact OE1-NZ 3.56Å; E218-K226 PolarHBondContact OE1-NZ 2.87Å; E218-K226 WeakPolarHBondContact OE2-CD 3.36Å; E218-K226 IonicContact OE2-NZ 2.71Å; E218-K226 PolarHBondContact OE2-NZ 3Å
227	R	92.7	Very high	90.8	Very high	29 Å²	29	69.4 Å²	69.4	11%	0.109	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	176.4	-158	-177.2	-168.7	-176.1	2.2	109.1	E218 Y219 K221 F246 D248 D249 Y253	E218-R227 CarbonylContact C-O 3.56Å; E218-R227 WeakPolarHBondContact CA-O 3.32Å; Y219-R227 PolarHBondContact N-O 2.81Å; Y219-R227 PolarHBondContact O-N 3.25Å; K221-R227 HydrophobicContact CG-CB 4.46Å; R227-F246 HydrophobicContact CB-CD1 4.23Å; R227-F246 HydrophobicContact CB-CE1 4.38Å; R227-F246 VanDerWaalsContact CD-CG 3.45Å; R227-F246 HydrophobicContact CG-CB 4.04Å; R227-F246 HydrophobicContact CG-CD1 3.62Å; R227-F246 HydrophobicContact CG-CE1 4.17Å; R227-F246 HydrophobicContact CG-CG 3.85Å; R227-F246 VanDerWaalsContact CZ-CD2 3.41Å; R227-F246 VanDerWaalsContact NE-CB 3.34Å; R227-F246 VanDerWaalsContact NH1-CD2 3.32Å; R227-D248 IonicContact CZ-OD1 3.1Å; R227-D248 IonicContact NE-OD1 2.65Å; R227-D248 PolarHBondContact NE-OD1 2.84Å; R227-D248 IonicContact NE-OD2 2.63Å; R227-D248 PolarHBondContact NE-OD2 2.91Å; R227-D248 IonicContact NH2-OD1 2.7Å; R227-D248 PolarHBondContact NH2-OD1 3.05Å; R227-D249 IonicContact NH2-OD2 2.61Å; R227-D249 PolarHBondContact NH2-OD2 2.92Å; R227-Y253 VanDerWaalsContact NH1-CE2 3.31Å; R227-Y253 PolarHBondContact NH1-OH 2.91Å; R227-Y253 PolarHBondContact NH2-OH 3.44Å
228	T	95.6	Very high	90.8	Very high	66 Å²	66	70.6 Å²	70.6	41%	0.405	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	149.2	174.5	51.6	0	0	0	0	111.2	V217 F246 D247	V217-T228 WeakPolarHBondContact O-CA 3.18Å; T228-F246 WeakPolarHBondContact O-CA 3.45Å; T228-F246 WeakPolarHBondContact O-CD1 3.41Å; T228-D247 VanDerWaalsContact CB-OD2 3.28Å; T228-D247 WeakPolarHBondContact CB-OD2 3.2Å; T228-D247 PolarHBondContact O-N 2.82Å; T228-D247 PolarHBondContact OG1-OD2 2.81Å
229	G	96.1	Very high	90.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	178.5	178.7	0	0	0	0	0	112.7	Q216 V217 K245	Q216-G229 CarbonylContact C-O 3.55Å; Q216-G229 WeakPolarHBondContact CA-O 3.42Å; Q216-G229 PolarHBondContact OE1-O 2.68Å; Q216-G229 VanDerWaalsContact OE1-O 3.13Å; V217-G229 WeakPolarHBondContact CG2-O 3.36Å; V217-G229 PolarHBondContact N-O 2.61Å; V217-G229 PolarHBondContact O-N 2.87Å; G229-K245 CarbonylContact C-O 3.46Å; G229-K245 WeakPolarHBondContact CA-O 3.08Å
230	M	97.5	Very high	91.1	Very high	37 Å²	37	63.7 Å²	63.7	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.7	-177.5	-168.5	-172.1	-56	0	0	110.6	V81 N82 I232 I244 K245	V81-M230 HydrophobicContact CB-SD 4.25Å; V81-M230 HydrophobicContact CG2-SD 3.75Å; N82-M230 HydrophobicContact CB-CE 4.37Å; N82-M230 HydrophobicContact CB-SD 4.28Å; M230-I232 HydrophobicContact CB-CG2 4.41Å; M230-I232 HydrophobicContact CG-CG2 4.48Å; M230-I232 PolarHBondContact O-N 3.29Å; M230-I244 WeakPolarHBondContact O-CA 3.38Å; M230-K245 PolarHBondContact N-O 2.85Å; M230-K245 PolarHBondContact O-N 2.91Å
231	V	97.8	Very high	91.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.3	166.7	-176.1	0	0	0	0	108.4	L212 V213 G214 K215 V217 Y242 I244	L212-V231 HydrophobicContact CB-CG1 4.29Å; L212-V231 HydrophobicContact CB-CG2 4.3Å; L212-V231 VanDerWaalsContact O-CB 3.32Å; L212-V231 WeakPolarHBondContact O-CB 3.47Å; V213-V231 HydrophobicContact CG2-CG1 4.21Å; G214-V231 PolarHBondContact N-O 3.49Å; K215-V231 PolarHBondContact O-N 2.91Å; V217-V231 HydrophobicContact CG1-CG2 3.69Å; V231-Y242 HydrophobicContact CG1-CD1 3.46Å; V231-Y242 VanDerWaalsContact CG1-CD1 3.46Å; V231-Y242 HydrophobicContact CG1-CE1 4.3Å; V231-Y242 HydrophobicContact CG1-CG 3.99Å; V231-I244 HydrophobicContact CG2-CG1 4.47Å
232	I	98	Very high	92.3	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-22.3	-171.8	58.6	162.5	0	0	0	114.4	V79 V81 L85 L87 M230 F243 K245 I252	V79-I232 HydrophobicContact CG1-CB 3.7Å; V79-I232 HydrophobicContact CG1-CG2 3.84Å; V79-I232 HydrophobicContact CG2-CB 4.46Å; V79-I232 HydrophobicContact CG2-CD1 4.17Å; V81-I232 HydrophobicContact CG2-CB 4.5Å; V81-I232 HydrophobicContact CG2-CG2 4.37Å; L85-I232 HydrophobicContact CD2-CG2 4.08Å; L87-I232 HydrophobicContact CD2-CD1 4.24Å; M230-I232 HydrophobicContact CB-CG2 4.41Å; M230-I232 HydrophobicContact CG-CG2 4.48Å; M230-I232 PolarHBondContact O-N 3.29Å; I232-F243 HydrophobicContact CD1-CB 4.25Å; I232-F243 HydrophobicContact CG1-CB 3.77Å; I232-F243 WeakPolarHBondContact CG1-O 3.46Å; I232-F243 PolarHBondContact N-O 3.1Å; I232-K245 HydrophobicContact CD1-CB 4.28Å; I232-K245 HydrophobicContact CG2-CB 4Å; I232-I252 HydrophobicContact CD1-CD1 3.79Å; I232-I252 HydrophobicContact CD1-CG1 4.48Å; I232-I252 HydrophobicContact CD1-CG2 4.11Å
233	H	97.5	Very high	93.2	Very high	73 Å²	73	48.1 Å²	48.1	34%	0.338	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.7	-178.2	-168.8	82.5	0	0	0	110.6	Y242 F243	H233-Y242 WeakPolarHBondContact O-CA 3.49Å; H233-F243 HydrophobicContact CB-CB 3.94Å; H233-F243 HydrophobicContact CB-CD2 3.63Å; H233-F243 HydrophobicContact CB-CE2 4.36Å; H233-F243 HydrophobicContact CB-CG 3.98Å; H233-F243 AromaticContact CD2-CD2 3.84Å; H233-F243 AromaticContact CD2-CE2 3.71Å; H233-F243 AromaticContact CG-CD2 3.99Å; H233-F243 PolarHBondContact O-N 3.39Å
234	Q	96.6	Very high	93.9	Very high	48 Å²	48	42.1 Å²	42.1	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.7	174.7	-179.2	175.8	16.3	0	0	108	S211 V213 E236 P239 Y242	S211-Q234 PolarHBondContact OG-OE1 2.8Å; V213-Q234 HydrophobicContact CG2-CB 3.86Å; Q234-E236 PolarHBondContact O-N 3.28Å; Q234-P239 PolarHBondContact NE2-O 3.15Å; Q234-Y242 HydrophobicContact CB-CD1 3.75Å; Q234-Y242 HydrophobicContact CB-CE1 3.63Å; Q234-Y242 HydrophobicContact CG-CD1 3.97Å; Q234-Y242 HydrophobicContact CG-CE1 3.52Å; Q234-Y242 PolarHBondContact NE2-OH 2.77Å; Q234-Y242 VanDerWaalsContact NE2-OH 3.13Å
235	V	95.6	Very high	94.9	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.018	21%	0.213	C	C	.	.			trans	-75.6	118	-175	179.6	0	0	0	0	109.9	L155 A237 K238 P239 V241 F243	L155-V235 HydrophobicContact CB-CG1 4.31Å; L155-V235 HydrophobicContact CD2-CG2 4.33Å; L155-V235 WeakPolarHBondContact O-CG1 3.22Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 HydrophobicContact CG1-CB 4.46Å; V235-A237 PolarHBondContact O-N 3.04Å; V235-K238 CarbonylContact O-C 3.56Å; V235-K238 PolarHBondContact O-N 3.42Å; V235-P239 WeakPolarHBondContact O-CA 3.34Å; V235-V241 HydrophobicContact CB-CB 4.24Å; V235-V241 HydrophobicContact CB-CG1 4.4Å; V235-V241 HydrophobicContact CG2-CB 4.16Å; V235-V241 HydrophobicContact CG2-CG1 3.8Å; V235-V241 PolarHBondContact N-O 2.99Å; V235-F243 HydrophobicContact CG2-CD1 4.09Å; V235-F243 HydrophobicContact CG2-CE1 3.44Å; V235-F243 VanDerWaalsContact CG2-CE1 3.44Å; V235-F243 HydrophobicContact CG2-CZ 4.01Å
236	E	94.1	Very high	95.5	Very high	177 Å²	177	39.2 Å²	39.2	83%	0.827	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-43.7	-176.2	-62	-174.8	167	0	0	112.5	Q234 K238	Q234-E236 PolarHBondContact O-N 3.28Å; E236-K238 VanDerWaalsContact C-N 3.31Å; E236-K238 PolarHBondContact O-N 3.24Å
237	A	92.5	Very high	95.7	Very high	49 Å²	49	37.1 Å²	37.1	41%	0.405	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.3	-178.7	0	0	0	0	0	114.2	I132 V235	I132-A237 HydrophobicContact CG2-CB 3.51Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 HydrophobicContact CG1-CB 4.46Å; V235-A237 PolarHBondContact O-N 3.04Å
238	K	93.4	Very high	95.8	Very high	62 Å²	62	40.3 Å²	40.3	27%	0.27	21%	0.214	S	C	.	.	S	Bend	trans	-143.6	85.3	175.4	-169.6	175.9	169	-165.6	0	109.8	M153 V235 E236 S240 V241 D256	M153-K238 HydrophobicContact CE-CD 4.01Å; M153-K238 HydrophobicContact SD-CD 3.77Å; V235-K238 CarbonylContact O-C 3.56Å; V235-K238 PolarHBondContact O-N 3.42Å; E236-K238 VanDerWaalsContact C-N 3.31Å; E236-K238 PolarHBondContact O-N 3.24Å; K238-S240 WeakPolarHBondContact CE-OG 3.45Å; K238-S240 PolarHBondContact O-N 2.57Å; K238-V241 HydrophobicContact CB-CG2 4.29Å; K238-V241 HydrophobicContact CD-CG2 3.61Å; K238-V241 HydrophobicContact CG-CG2 3.91Å; K238-V241 WeakPolarHBondContact O-CB 3.38Å; K238-V241 PolarHBondContact O-N 2.63Å; K238-D256 VanDerWaalsContact CE-OD2 3.27Å; K238-D256 WeakPolarHBondContact CE-OD2 3.33Å; K238-D256 IonicContact NZ-OD2 3.74Å; K238-D256 PolarHBondContact NZ-OD2 2.79Å
239	P	91.8	Very high	95.7	Very high	45 Å²	45	38.4 Å²	38.4	29%	0.292	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.7	-170.3	-27.9	37.2	0	0	0	117	Q234 V235	Q234-P239 PolarHBondContact NE2-O 3.15Å; V235-P239 WeakPolarHBondContact O-CA 3.34Å
240	S	91.5	Very high	95.7	Very high	35 Å²	35	41 Å²	41	25%	0.245	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.5	169	67.1	0	0	0	0	112.7	K238 Y242 D256 L257	K238-S240 WeakPolarHBondContact CE-OG 3.45Å; K238-S240 PolarHBondContact O-N 2.57Å; S240-Y242 WeakPolarHBondContact O-CD2 3.41Å; S240-Y242 WeakPolarHBondContact O-CE2 3.41Å; S240-D256 WeakPolarHBondContact CB-OD1 3.43Å; S240-D256 PolarHBondContact OG-OD1 3.43Å; S240-L257 PolarHBondContact O-N 3.3Å
241	V	95.3	Very high	95.8	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.3	179.3	178.6	0	0	0	0	111	L155 V235 K238 V254 Y255 D256	L155-V241 HydrophobicContact CD2-CG1 4.26Å; V235-V241 HydrophobicContact CB-CB 4.24Å; V235-V241 HydrophobicContact CB-CG1 4.4Å; V235-V241 HydrophobicContact CG2-CB 4.16Å; V235-V241 HydrophobicContact CG2-CG1 3.8Å; V235-V241 PolarHBondContact N-O 2.99Å; K238-V241 HydrophobicContact CB-CG2 4.29Å; K238-V241 HydrophobicContact CD-CG2 3.61Å; K238-V241 HydrophobicContact CG-CG2 3.91Å; K238-V241 WeakPolarHBondContact O-CB 3.38Å; K238-V241 PolarHBondContact O-N 2.63Å; V241-V254 HydrophobicContact CG1-CG1 3.36Å; V241-Y255 CarbonylContact C-O 3.58Å; V241-Y255 WeakPolarHBondContact CA-O 3.34Å; V241-D256 HydrophobicContact CG2-CB 4.1Å
242	Y	97.3	Very high	95.8	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.02	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151	-175.7	-67.7	-92.2	0	0	0	111.9	L212 V213 V231 H233 Q234 S240 V254 Y255 L257	L212-Y242 HydrophobicContact CB-CD1 4.29Å; L212-Y242 HydrophobicContact CB-CE1 3.77Å; L212-Y242 HydrophobicContact CD1-CE2 4.02Å; L212-Y242 HydrophobicContact CG-CE1 4.27Å; L212-Y242 HydrophobicContact CG-CE2 4.37Å; V213-Y242 HydrophobicContact CG2-CD1 4.38Å; V213-Y242 HydrophobicContact CG2-CE1 4.44Å; V231-Y242 HydrophobicContact CG1-CD1 3.46Å; V231-Y242 VanDerWaalsContact CG1-CD1 3.46Å; V231-Y242 HydrophobicContact CG1-CE1 4.3Å; V231-Y242 HydrophobicContact CG1-CG 3.99Å; H233-Y242 WeakPolarHBondContact O-CA 3.49Å; Q234-Y242 HydrophobicContact CB-CD1 3.75Å; Q234-Y242 HydrophobicContact CB-CE1 3.63Å; Q234-Y242 HydrophobicContact CG-CD1 3.97Å; Q234-Y242 HydrophobicContact CG-CE1 3.52Å; Q234-Y242 PolarHBondContact NE2-OH 2.77Å; Q234-Y242 VanDerWaalsContact NE2-OH 3.13Å; S240-Y242 WeakPolarHBondContact O-CD2 3.41Å; S240-Y242 WeakPolarHBondContact O-CE2 3.41Å; Y242-V254 WeakPolarHBondContact O-CA 3.45Å; Y242-Y255 PolarHBondContact N-O 3.2Å; Y242-Y255 PolarHBondContact O-N 2.65Å; Y242-L257 HydrophobicContact CD2-CB 3.79Å; Y242-L257 HydrophobicContact CD2-CD1 3.71Å; Y242-L257 HydrophobicContact CD2-CG 3.85Å; Y242-L257 HydrophobicContact CE2-CB 4.03Å; Y242-L257 HydrophobicContact CE2-CD1 4.38Å; Y242-L257 HydrophobicContact CG-CD1 4.04Å
243	F	98.3	Very high	95.8	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.7	168	-59.9	-8.5	0	0	0	109.6	L155 Y166 L175 I232 H233 V235 I252 Y253 V254	L155-F243 HydrophobicContact CD1-CE1 3.93Å; L155-F243 HydrophobicContact CD1-CZ 4.27Å; Y166-F243 HydrophobicContact CD2-CE2 4.45Å; Y166-F243 HydrophobicContact CD2-CZ 4.46Å; L175-F243 HydrophobicContact CD1-CE1 4.04Å; L175-F243 HydrophobicContact CD1-CE2 4.16Å; L175-F243 HydrophobicContact CD1-CZ 3.73Å; L175-F243 HydrophobicContact CD2-CD2 4.07Å; L175-F243 HydrophobicContact CD2-CE2 3.85Å; L175-F243 HydrophobicContact CD2-CZ 4.28Å; I232-F243 HydrophobicContact CD1-CB 4.25Å; I232-F243 HydrophobicContact CG1-CB 3.77Å; I232-F243 WeakPolarHBondContact CG1-O 3.46Å; I232-F243 PolarHBondContact N-O 3.1Å; H233-F243 HydrophobicContact CB-CB 3.94Å; H233-F243 HydrophobicContact CB-CD2 3.63Å; H233-F243 HydrophobicContact CB-CE2 4.36Å; H233-F243 HydrophobicContact CB-CG 3.98Å; H233-F243 AromaticContact CD2-CD2 3.84Å; H233-F243 AromaticContact CD2-CE2 3.71Å; H233-F243 AromaticContact CG-CD2 3.99Å; H233-F243 PolarHBondContact O-N 3.39Å; V235-F243 HydrophobicContact CG2-CD1 4.09Å; V235-F243 HydrophobicContact CG2-CE1 3.44Å; V235-F243 VanDerWaalsContact CG2-CE1 3.44Å; V235-F243 HydrophobicContact CG2-CZ 4.01Å; F243-I252 HydrophobicContact CB-CG2 3.76Å; F243-I252 HydrophobicContact CD2-CG2 4.37Å; F243-I252 HydrophobicContact CG-CG2 4.11Å; F243-Y253 CarbonylContact C-O 3.59Å; F243-Y253 VanDerWaalsContact CA-O 3.27Å; F243-Y253 WeakPolarHBondContact CA-O 3.02Å; F243-V254 HydrophobicContact CD1-CB 4.47Å; F243-V254 HydrophobicContact CD1-CG1 4.16Å; F243-V254 HydrophobicContact CD1-CG2 3.86Å; F243-V254 HydrophobicContact CE1-CG1 4.18Å; F243-V254 HydrophobicContact CE1-CG2 4.02Å
244	I	98.1	Very high	95.8	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.3	-178.6	-54.7	-174.9	0	0	0	109	V217 M230 V231 F246 Y253 Y255 L257	V217-I244 HydrophobicContact CG2-CD1 4.32Å; V217-I244 HydrophobicContact CG2-CG2 3.68Å; M230-I244 WeakPolarHBondContact O-CA 3.38Å; V231-I244 HydrophobicContact CG2-CG1 4.47Å; I244-F246 HydrophobicContact CG2-CD1 4.27Å; I244-F246 HydrophobicContact CG2-CD2 4.44Å; I244-F246 HydrophobicContact CG2-CE1 4.01Å; I244-F246 HydrophobicContact CG2-CE2 4.21Å; I244-F246 HydrophobicContact CG2-CG 4.49Å; I244-F246 HydrophobicContact CG2-CZ 3.99Å; I244-Y253 PolarHBondContact N-O 3.26Å; I244-Y253 PolarHBondContact O-N 3.07Å; I244-Y255 HydrophobicContact CB-CD2 4.46Å; I244-Y255 HydrophobicContact CD1-CD2 3.69Å; I244-Y255 HydrophobicContact CD1-CG 4.23Å; I244-Y255 HydrophobicContact CG1-CD2 4.24Å; I244-L257 HydrophobicContact CD1-CD1 4.26Å
245	K	98.4	Very high	95.8	Very high	30 Å²	30	40.1 Å²	40.1	13%	0.13	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.4	169.3	173.2	62.7	172.8	70.7	0	108.1	L85 G98 G229 M230 I232 D249 I252	L85-K245 HydrophobicContact CD1-CD 4.5Å; L85-K245 HydrophobicContact CD1-CG 4.39Å; L85-K245 HydrophobicContact CD2-CB 4.1Å; L85-K245 HydrophobicContact CD2-CG 3.85Å; G98-K245 WeakPolarHBondContact O-CE 3.37Å; G229-K245 CarbonylContact C-O 3.46Å; G229-K245 WeakPolarHBondContact CA-O 3.08Å; M230-K245 PolarHBondContact N-O 2.85Å; M230-K245 PolarHBondContact O-N 2.91Å; I232-K245 HydrophobicContact CD1-CB 4.28Å; I232-K245 HydrophobicContact CG2-CB 4Å; K245-D249 WeakPolarHBondContact CE-O 3.27Å; K245-D249 PolarHBondContact NZ-O 2.71Å; K245-I252 HydrophobicContact CB-CD1 4.25Å; K245-I252 HydrophobicContact CD-CD1 4.03Å
246	F	97.3	Very high	95.6	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	154.6	170.9	-65.1	-71	0	0	0	111.4	V217 R227 T228 I244 Y253 Y255	V217-F246 HydrophobicContact CG2-CE1 4.47Å; R227-F246 HydrophobicContact CB-CD1 4.23Å; R227-F246 HydrophobicContact CB-CE1 4.38Å; R227-F246 VanDerWaalsContact CD-CG 3.45Å; R227-F246 HydrophobicContact CG-CB 4.04Å; R227-F246 HydrophobicContact CG-CD1 3.62Å; R227-F246 HydrophobicContact CG-CE1 4.17Å; R227-F246 HydrophobicContact CG-CG 3.85Å; R227-F246 VanDerWaalsContact CZ-CD2 3.41Å; R227-F246 VanDerWaalsContact NE-CB 3.34Å; R227-F246 VanDerWaalsContact NH1-CD2 3.32Å; T228-F246 WeakPolarHBondContact O-CA 3.45Å; T228-F246 WeakPolarHBondContact O-CD1 3.41Å; I244-F246 HydrophobicContact CG2-CD1 4.27Å; I244-F246 HydrophobicContact CG2-CD2 4.44Å; I244-F246 HydrophobicContact CG2-CE1 4.01Å; I244-F246 HydrophobicContact CG2-CE2 4.21Å; I244-F246 HydrophobicContact CG2-CG 4.49Å; I244-F246 HydrophobicContact CG2-CZ 3.99Å; F246-Y253 AromaticContact CD2-CD2 3.49Å; F246-Y253 HydrophobicContact CD2-CD2 3.49Å; F246-Y253 VanDerWaalsContact CD2-CD2 3.49Å; F246-Y253 AromaticContact CD2-CE2 3.77Å; F246-Y253 HydrophobicContact CD2-CE2 3.77Å; F246-Y253 HydrophobicContact CD2-CG 4.05Å; F246-Y253 HydrophobicContact CE2-CD1 4.45Å; F246-Y253 AromaticContact CE2-CD2 3.83Å; F246-Y253 HydrophobicContact CE2-CD2 3.83Å; F246-Y253 HydrophobicContact CE2-CE2 4.3Å; F246-Y253 AromaticContact CE2-CG 3.89Å; F246-Y253 HydrophobicContact CE2-CG 3.89Å; F246-Y255 AromaticContact CE2-CE2 3.92Å; F246-Y255 HydrophobicContact CE2-CE2 3.92Å; F246-Y255 HydrophobicContact CZ-CE2 4.1Å
247	D	95.1	Very high	95.3	Very high	97 Å²	97	37.8 Å²	37.8	52%	0.519	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-29.9	-173	-58.7	-38.5	0	0	0	113	T228 D249	T228-D247 VanDerWaalsContact CB-OD2 3.28Å; T228-D247 WeakPolarHBondContact CB-OD2 3.2Å; T228-D247 PolarHBondContact O-N 2.82Å; T228-D247 PolarHBondContact OG1-OD2 2.81Å; D247-D249 PolarHBondContact O-N 3.45Å
248	D	93.3	Very high	94.7	Very high	95 Å²	95	40.4 Å²	40.4	51%	0.508	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.3	-173.1	66.2	-7.5	0	0	0	115.1	K221 R227	K221-D248 IonicContact NZ-OD2 2.99Å; K221-D248 PolarHBondContact NZ-OD2 3.47Å; R227-D248 IonicContact CZ-OD1 3.1Å; R227-D248 IonicContact NE-OD1 2.65Å; R227-D248 PolarHBondContact NE-OD1 2.84Å; R227-D248 IonicContact NE-OD2 2.63Å; R227-D248 PolarHBondContact NE-OD2 2.91Å; R227-D248 IonicContact NH2-OD1 2.7Å; R227-D248 PolarHBondContact NH2-OD1 3.05Å
249	D	95.3	Very high	93.3	Very high	26 Å²	26	44.8 Å²	44.8	14%	0.139	23%	0.228	C	C	.	.			trans	-151.3	161.8	-168	-169.9	-4.3	0	0	0	111.9	R227 K245 D247 H251 Y253	R227-D249 IonicContact NH2-OD2 2.61Å; R227-D249 PolarHBondContact NH2-OD2 2.92Å; K245-D249 WeakPolarHBondContact CE-O 3.27Å; K245-D249 PolarHBondContact NZ-O 2.71Å; D247-D249 PolarHBondContact O-N 3.45Å; D249-H251 IonicContact OD1-CE1 2.76Å; D249-H251 IonicContact OD1-CG 2.8Å; D249-H251 PolarHBondContact OD1-N 3.16Å; D249-H251 VanDerWaalsContact OD1-N 3.14Å; D249-H251 IonicContact OD1-ND1 2.64Å; D249-H251 PolarHBondContact OD1-ND1 2.69Å; D249-H251 IonicContact OD2-ND1 2.77Å; D249-H251 PolarHBondContact OD2-ND1 2.77Å; D249-Y253 WeakPolarHBondContact OD2-CE2 3.08Å; D249-Y253 PolarHBondContact OD2-OH 3.21Å
250	F	96.3	Very high	91.5	Very high	54 Å²	54	49.5 Å²	49.5	24%	0.237	26%	0.256	C	S	.	.	S	Bend	trans	-102.1	-10.3	178.3	42	-109.9	0	0	0	113.6	W62 Y97 G98 L99	W62-F250 HydrophobicContact CH2-CD1 4.32Å; W62-F250 HydrophobicContact CZ2-CD1 4.19Å; W62-F250 HydrophobicContact CZ2-CE1 4.35Å; Y97-F250 CarbonylContact C-O 3.44Å; Y97-F250 WeakPolarHBondContact CA-O 3.26Å; Y97-F250 HydrophobicContact CD1-CB 4.36Å; Y97-F250 AromaticContact CD1-CD2 3.48Å; Y97-F250 HydrophobicContact CD1-CD2 3.48Å; Y97-F250 VanDerWaalsContact CD1-CD2 3.48Å; Y97-F250 HydrophobicContact CD1-CE2 4.11Å; Y97-F250 HydrophobicContact CD1-CG 4.17Å; Y97-F250 AromaticContact CE1-CD2 3.55Å; Y97-F250 HydrophobicContact CE1-CD2 3.55Å; Y97-F250 AromaticContact CE1-CE2 3.69Å; Y97-F250 HydrophobicContact CE1-CE2 3.69Å; G98-F250 PolarHBondContact N-O 2.79Å; L99-F250 HydrophobicContact CD2-CB 3.68Å
251	H	98.3	Very high	89.1	Confident	42 Å²	42	56.7 Å²	56.7	19%	0.194	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-70.2	151.1	173.9	-60.1	101	0	0	0	112.4	V174 D249 Y253	V174-H251 HydrophobicContact CG1-CB 4.07Å; V174-H251 HydrophobicContact CG2-CB 4.16Å; D249-H251 IonicContact OD1-CE1 2.76Å; D249-H251 IonicContact OD1-CG 2.8Å; D249-H251 PolarHBondContact OD1-N 3.16Å; D249-H251 VanDerWaalsContact OD1-N 3.14Å; D249-H251 IonicContact OD1-ND1 2.64Å; D249-H251 PolarHBondContact OD1-ND1 2.69Å; D249-H251 IonicContact OD2-ND1 2.77Å; D249-H251 PolarHBondContact OD2-ND1 2.77Å; H251-Y253 HydrophobicContact CB-CD2 4.46Å; H251-Y253 HydrophobicContact CB-CE2 4.02Å
252	I	98.5	Very high	88.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-95	124.5	164.1	-55.1	-50.4	0	0	0	108	L87 I96 V174 L175 I232 F243 K245	L87-I252 HydrophobicContact CD2-CD1 3.69Å; L87-I252 HydrophobicContact CD2-CG1 3.77Å; I96-I252 HydrophobicContact CG2-CG1 4.44Å; V174-I252 CarbonylContact C-O 3.55Å; V174-I252 WeakPolarHBondContact CA-O 3.04Å; L175-I252 HydrophobicContact CB-CB 3.87Å; L175-I252 HydrophobicContact CB-CG2 4.05Å; L175-I252 HydrophobicContact CD2-CB 4.12Å; L175-I252 HydrophobicContact CD2-CG2 3.93Å; L175-I252 PolarHBondContact N-O 2.98Å; I232-I252 HydrophobicContact CD1-CD1 3.79Å; I232-I252 HydrophobicContact CD1-CG1 4.48Å; I232-I252 HydrophobicContact CD1-CG2 4.11Å; F243-I252 HydrophobicContact CB-CG2 3.76Å; F243-I252 HydrophobicContact CD2-CG2 4.37Å; F243-I252 HydrophobicContact CG-CG2 4.11Å; K245-I252 HydrophobicContact CB-CD1 4.25Å; K245-I252 HydrophobicContact CD-CD1 4.03Å
253	Y	98.1	Very high	88.3	Confident	33 Å²	33	62.2 Å²	62.2	13%	0.129	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	152.6	176.9	-72.1	-95.8	0	0	0	111.4	P173 V174 R227 F243 I244 F246 D249 H251 Y255	P173-Y253 CarbonylContact O-C 3.56Å; P173-Y253 WeakPolarHBondContact O-CA 3.4Å; V174-Y253 HydrophobicContact CG2-CD1 4.09Å; V174-Y253 HydrophobicContact CG2-CE1 3.9Å; R227-Y253 VanDerWaalsContact NH1-CE2 3.31Å; R227-Y253 PolarHBondContact NH1-OH 2.91Å; R227-Y253 PolarHBondContact NH2-OH 3.44Å; F243-Y253 CarbonylContact C-O 3.59Å; F243-Y253 VanDerWaalsContact CA-O 3.27Å; F243-Y253 WeakPolarHBondContact CA-O 3.02Å; I244-Y253 PolarHBondContact N-O 3.26Å; I244-Y253 PolarHBondContact O-N 3.07Å; F246-Y253 AromaticContact CD2-CD2 3.49Å; F246-Y253 HydrophobicContact CD2-CD2 3.49Å; F246-Y253 VanDerWaalsContact CD2-CD2 3.49Å; F246-Y253 AromaticContact CD2-CE2 3.77Å; F246-Y253 HydrophobicContact CD2-CE2 3.77Å; F246-Y253 HydrophobicContact CD2-CG 4.05Å; F246-Y253 HydrophobicContact CE2-CD1 4.45Å; F246-Y253 AromaticContact CE2-CD2 3.83Å; F246-Y253 HydrophobicContact CE2-CD2 3.83Å; F246-Y253 HydrophobicContact CE2-CE2 4.3Å; F246-Y253 AromaticContact CE2-CG 3.89Å; F246-Y253 HydrophobicContact CE2-CG 3.89Å; D249-Y253 WeakPolarHBondContact OD2-CE2 3.08Å; D249-Y253 PolarHBondContact OD2-OH 3.21Å; H251-Y253 HydrophobicContact CB-CD2 4.46Å; H251-Y253 HydrophobicContact CB-CE2 4.02Å; Y253-Y255 HydrophobicContact CD1-CE2 4.14Å; Y253-Y255 HydrophobicContact CG-CE2 4.12Å
254	V	97.9	Very high	87.8	Confident	9 Å²	9	65.4 Å²	65.4	6%	0.055	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.1	-178.8	-172.4	0	0	0	0	109.1	L155 T168 P173 L175 V241 Y242 F243	L155-V254 HydrophobicContact CD1-CG1 4.05Å; L155-V254 HydrophobicContact CD1-CG2 4.04Å; L155-V254 HydrophobicContact CD2-CG1 4.05Å; T168-V254 HydrophobicContact CG2-CB 4.02Å; T168-V254 HydrophobicContact CG2-CG1 3.81Å; P173-V254 PolarHBondContact O-N 3.34Å; L175-V254 HydrophobicContact CB-CG2 4.04Å; L175-V254 HydrophobicContact CD1-CG2 4.12Å; V241-V254 HydrophobicContact CG1-CG1 3.36Å; Y242-V254 WeakPolarHBondContact O-CA 3.45Å; F243-V254 HydrophobicContact CD1-CB 4.47Å; F243-V254 HydrophobicContact CD1-CG1 4.16Å; F243-V254 HydrophobicContact CD1-CG2 3.86Å; F243-V254 HydrophobicContact CE1-CG1 4.18Å; F243-V254 HydrophobicContact CE1-CG2 4.02Å
255	Y	94.8	Very high	87.2	Confident	62 Å²	62	68.9 Å²	68.9	24%	0.243	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.6	-176	-76.1	-82.8	0	0	0	112.1	V241 Y242 I244 F246 Y253	V241-Y255 CarbonylContact C-O 3.58Å; V241-Y255 WeakPolarHBondContact CA-O 3.34Å; Y242-Y255 PolarHBondContact N-O 3.2Å; Y242-Y255 PolarHBondContact O-N 2.65Å; I244-Y255 HydrophobicContact CB-CD2 4.46Å; I244-Y255 HydrophobicContact CD1-CD2 3.69Å; I244-Y255 HydrophobicContact CD1-CG 4.23Å; I244-Y255 HydrophobicContact CG1-CD2 4.24Å; F246-Y255 AromaticContact CE2-CE2 3.92Å; F246-Y255 HydrophobicContact CE2-CE2 3.92Å; F246-Y255 HydrophobicContact CZ-CE2 4.1Å; Y253-Y255 HydrophobicContact CD1-CE2 4.14Å; Y253-Y255 HydrophobicContact CG-CE2 4.12Å
256	D	92.3	Very high	86.5	Confident	73 Å²	73	71.4 Å²	71.4	39%	0.39	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.6	169	-157.1	-13.7	0	0	0	109.3	K238 S240 V241 V258	K238-D256 VanDerWaalsContact CE-OD2 3.27Å; K238-D256 WeakPolarHBondContact CE-OD2 3.33Å; K238-D256 IonicContact NZ-OD2 3.74Å; K238-D256 PolarHBondContact NZ-OD2 2.79Å; S240-D256 WeakPolarHBondContact CB-OD1 3.43Å; S240-D256 PolarHBondContact OG-OD1 3.43Å; V241-D256 HydrophobicContact CG2-CB 4.1Å; D256-V258 PolarHBondContact O-N 3.18Å; D256-V258 WeakPolarHBondContact OD1-CG2 3.39Å
257	L	87.2	Confident	85.7	Confident	58 Å²	58	75.9 Å²	75.9	30%	0.304	41%	0.414	S	S	.	.			trans	-100.2	66.8	-175.5	-57.8	-176.6	0	0	0	110.4	L212 S240 Y242 I244	L212-L257 HydrophobicContact CD1-CB 4.05Å; L212-L257 HydrophobicContact CD1-CD1 3.74Å; S240-L257 PolarHBondContact O-N 3.3Å; Y242-L257 HydrophobicContact CD2-CB 3.79Å; Y242-L257 HydrophobicContact CD2-CD1 3.71Å; Y242-L257 HydrophobicContact CD2-CG 3.85Å; Y242-L257 HydrophobicContact CE2-CB 4.03Å; Y242-L257 HydrophobicContact CE2-CD1 4.38Å; Y242-L257 HydrophobicContact CG-CD1 4.04Å; I244-L257 HydrophobicContact CD1-CD1 4.26Å
258	V	79.8	Confident	85.1	Confident	104 Å²	104	74.4 Å²	74.4	63%	0.63	41%	0.406	S	S	*	.			trans	-72.4	131.9	173	-173.8	0	0	0	0	109.6	D256 T260	D256-V258 PolarHBondContact O-N 3.18Å; D256-V258 WeakPolarHBondContact OD1-CG2 3.39Å; V258-T260 PolarHBondContact O-N 2.98Å
259	K	63.8	Low	84.4	Confident	154 Å²	154	72.8 Å²	72.8	67%	0.67	40%	0.399	S	S	*	.			trans	-69.3	110.7	169.7	-69	-178.3	-176.8	172.9	0	109.4	S261	K259-S261 PolarHBondContact O-N 3.41Å
260	T	54.6	Low	83.5	Confident	144 Å²	144	76.7 Å²	76.7	88%	0.883	42%	0.42	S	S	*	.			trans	-70.2	121.2	158.3	43.1	0	0	0	0	108.7	V258	V258-T260 PolarHBondContact O-N 2.98Å
261	S	40.8	Very low	82.4	Confident	187 Å²	187	78.7 Å²	78.7	100%	1.308	44%	0.437	S	S	*	.			trans	-98	0	173.6	-55.9	0	0	0	0	110.7	K259	K259-S261 PolarHBondContact O-N 3.41Å

Retrieved 261 of 261 residues in 1610.7 ms (Link to these results)

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