A0A060XD17_ONCMY Loading...

Beta-crystallin B1

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A060XD17, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110509623, Length 231 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	36.5	Very low	33.4	Very low	235 Å²	235	145 Å²	145	100%	1.158	86%	0.859	S	S	*	*				0	105.3	0	-58.4	-163.6	-152.4	0	0	106.2
2	S	35.1	Very low	33.1	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	86%	0.855	S	S	*	*				59.6	131.5	100.4	-79.3	0	0	0	0	112.4
3	Q	33.5	Very low	32.9	Very low	166 Å²	166	138.4 Å²	138.4	78%	0.776	85%	0.848	S	S	*	*			cis	-163.7	138.8	7.6	-98.3	165.3	12.3	0	0	105.3
4	T	32.6	Very low	32.9	Very low	126 Å²	126	140.5 Å²	140.5	77%	0.773	85%	0.852	S	S	*	*				52.2	118.8	109.5	-24.1	0	0	0	0	117.7
5	A	36.9	Very low	32.8	Very low	106 Å²	106	140.6 Å²	140.6	88%	0.876	85%	0.852	S	S	*	*			trans	-145.3	132.3	146.1	0	0	0	0	0	110.3
6	K	33.4	Very low	32.8	Very low	197 Å²	197	144.3 Å²	144.3	86%	0.857	85%	0.853	S	S	*	*			trans	-92	151.1	-179	-78.4	175	171.2	175.7	0	111
7	S	32.3	Very low	32.7	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	85%	0.848	S	S	*	*			trans	177.8	147.8	143.5	50.6	0	0	0	0	108.3
8	A	33.8	Very low	32.7	Very low	97 Å²	97	147.4 Å²	147.4	80%	0.802	85%	0.85	S	S	*	*			cis	-166.2	153.7	-24.2	0	0	0	0	0	103.7
9	S	29.5	Very low	32.6	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	84%	0.839	S	S	*	*			trans	-66.3	148.9	-173.9	49.5	0	0	0	0	116
10	S	33.9	Very low	32.8	Very low	121 Å²	121	140.4 Å²	140.4	85%	0.846	84%	0.835	S	S	*	*			trans	-153.1	117.8	133.9	60.7	0	0	0	0	110.9
11	Q	29.6	Very low	32.7	Very low	199 Å²	199	140 Å²	140	93%	0.93	84%	0.836	S	S	*	*			trans	-64.7	138	169.3	-76.2	166.9	-40.1	0	0	110.6
12	G	30.4	Very low	32.6	Very low	78 Å²	78	133 Å²	133	80%	0.804	82%	0.815	S	S	*	*			trans	-148.1	103.6	162.4	0	0	0	0	0	107.2
13	T	29.9	Very low	32.5	Very low	126 Å²	126	133.9 Å²	133.9	77%	0.773	82%	0.819	S	S	*	*			trans	-74.9	125.7	179.8	44.1	0	0	0	0	110.7
14	D	33.4	Very low	32.3	Very low	168 Å²	168	130.9 Å²	130.9	90%	0.898	82%	0.823	S	S	*	*			trans	-149.9	104.8	147.8	-97.6	-39.5	0	0	0	109.3	K16	D14-K16 PolarHBondContact O-N 2.84Å
15	V	31.5	Very low	32.2	Very low	142 Å²	142	129.3 Å²	129.3	86%	0.861	82%	0.822	S	S	*	*			trans	-77.5	109.3	173.5	175.1	0	0	0	0	107.1
16	K	33.3	Very low	32	Very low	200 Å²	200	131.2 Å²	131.2	87%	0.87	82%	0.823	S	S	*	*			trans	-117.4	96.9	161.4	-154.2	169.8	-173.3	174	0	109.3	D14 K18	D14-K16 PolarHBondContact O-N 2.84Å; K16-K18 PolarHBondContact O-N 3.42Å
17	D	31	Very low	31.9	Very low	142 Å²	142	127.3 Å²	127.3	76%	0.759	82%	0.82	S	S	*	*			trans	-44.6	120.3	170.2	-165.9	21.5	0	0	0	111.3
18	K	32.9	Very low	31.8	Very low	202 Å²	202	131 Å²	131	88%	0.878	82%	0.821	S	S	*	*			trans	-117.1	90.6	163.6	-90	-167.3	175.3	-176.4	0	107.3	K16	K16-K18 PolarHBondContact O-N 3.42Å
19	G	30.7	Very low	31.6	Very low	63 Å²	63	131.2 Å²	131.2	65%	0.649	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-52.9	143.6	172.6	0	0	0	0	0	112.7
20	A	35.5	Very low	31.6	Very low	91 Å²	91	131.2 Å²	131.2	75%	0.752	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-54.3	150.3	168	0	0	0	0	0	111.4	A22	A20-A22 PolarHBondContact O-N 3.43Å
21	P	31.4	Very low	31.7	Very low	132 Å²	132	135.3 Å²	135.3	86%	0.857	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.6	119	177	26.7	-29.8	0	0	0	109.8
22	A	34.3	Very low	31.9	Very low	88 Å²	88	132 Å²	132	73%	0.727	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.3	153.1	171.3	0	0	0	0	0	111.2	A20	A20-A22 PolarHBondContact O-N 3.43Å
23	P	32.1	Very low	32	Very low	129 Å²	129	131.7 Å²	131.7	84%	0.838	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.7	142.9	-176.5	25.9	-33.1	0	0	0	112.2
24	A	30.1	Very low	32.1	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-59.8	143.9	177.8	0	0	0	0	0	111.9
25	A	29.8	Very low	32.5	Very low	92 Å²	92	131.7 Å²	131.7	76%	0.76	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-52	130.4	-173.1	0	0	0	0	0	114.2	S27	A25-S27 PolarHBondContact O-N 2.94Å
26	T	32.6	Very low	33.1	Very low	147 Å²	147	129.9 Å²	129.9	90%	0.902	80%	0.8	S	S	*	*			trans	-59.9	99.3	159.9	19	0	0	0	0	110.2
27	S	32.3	Very low	34.3	Very low	114 Å²	114	126.6 Å²	126.6	80%	0.797	80%	0.797	S	S	*	*			trans	-76.9	120.1	163.6	35.4	0	0	0	0	109.5	A25 A29	A25-S27 PolarHBondContact O-N 2.94Å; S27-A29 PolarHBondContact O-N 3.18Å
28	K	30.1	Very low	35.9	Very low	199 Å²	199	120.8 Å²	120.8	87%	0.865	77%	0.771	S	S	*	*			trans	-48.8	127.8	173.2	-76.5	174.7	174.3	175.8	0	110.1	T30	K28-T30 PolarHBondContact O-N 3Å
29	A	30.3	Very low	38.4	Very low	101 Å²	101	116.7 Å²	116.7	84%	0.835	76%	0.758	S	S	*	*			trans	-61.3	100.3	170.1	0	0	0	0	0	109.5	S27 K31	S27-A29 PolarHBondContact O-N 3.18Å; A29-K31 PolarHBondContact O-N 2.7Å
30	T	28.8	Very low	41.4	Very low	118 Å²	118	115 Å²	115	72%	0.724	73%	0.734	S	S	*	*			trans	-69.2	115.3	159	-43.2	0	0	0	0	105.9	K28 T32	K28-T30 PolarHBondContact O-N 3Å; T30-T32 PolarHBondContact O-N 3.18Å; T30-T32 PolarHBondContact O-OG1 3.08Å
31	K	36.8	Very low	44.2	Very low	207 Å²	207	114.4 Å²	114.4	90%	0.9	71%	0.712	S	S	*	*			trans	-56.5	90.4	171.7	-80	-177.5	172.7	-177.2	0	108.9	A29	A29-K31 PolarHBondContact O-N 2.7Å
32	T	33.3	Very low	47.4	Very low	129 Å²	129	108.1 Å²	108.1	79%	0.791	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-74.9	119.3	159.3	11.3	0	0	0	0	104.6	T30 E34	T30-T32 PolarHBondContact O-N 3.18Å; T30-T32 PolarHBondContact O-OG1 3.08Å; T32-E34 PolarHBondContact O-N 3.49Å
33	G	32.7	Very low	50.5	Low	72 Å²	72	104.8 Å²	104.8	74%	0.742	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-52.5	125.6	178.1	0	0	0	0	0	108.9
34	E	30.5	Very low	53.6	Low	180 Å²	180	98.7 Å²	98.7	84%	0.841	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-51.4	131	165.1	-75	179.5	139.7	0	0	107.1	T32 S36	T32-E34 PolarHBondContact O-N 3.49Å; E34-S36 PolarHBondContact O-N 2.86Å
35	P	41.8	Very low	56.9	Low	114 Å²	114	94.8 Å²	94.8	74%	0.74	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.4	116.6	164.4	23.5	-28.2	0	0	0	105.1	V37	P35-V37 PolarHBondContact O-N 3.08Å
36	S	45.1	Very low	60.1	Low	104 Å²	104	92.5 Å²	92.5	73%	0.727	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-48.9	116.3	178.8	54.3	0	0	0	0	107	E34 G38	E34-S36 PolarHBondContact O-N 2.86Å; S36-G38 VanDerWaalsContact C-N 3.31Å; S36-G38 PolarHBondContact O-N 3.12Å
37	V	58	Low	63.3	Low	131 Å²	131	90.3 Å²	90.3	79%	0.794	52%	0.519	S	S	*	.			trans	-56.1	105.1	173.1	179.8	0	0	0	0	105	P35 N39	P35-V37 PolarHBondContact O-N 3.08Å; V37-N39 PolarHBondContact O-N 3.4Å
38	G	63.9	Low	66.4	Low	21 Å²	21	88.2 Å²	88.2	22%	0.216	50%	0.497	C	S	.	.			trans	-53.6	141.1	-179.2	0	0	0	0	0	108.3	S36 F40	S36-G38 VanDerWaalsContact C-N 3.31Å; S36-G38 PolarHBondContact O-N 3.12Å; G38-F40 WeakPolarHBondContact O-CD2 3.46Å; G38-F40 PolarHBondContact O-N 2.9Å
39	N	85.8	Confident	69.7	Low	115 Å²	115	82.9 Å²	82.9	62%	0.615	48%	0.478	S	S	*	.			trans	-68.6	84.2	175.4	-176.5	31.4	0	0	0	108.7	V37 C79	V37-N39 PolarHBondContact O-N 3.4Å; N39-C79 WeakPolarHBondContact O-CB 3.37Å
40	F	93.4	Very high	72.9	Confident	29 Å²	29	80.2 Å²	80.2	13%	0.127	45%	0.447	C	S	.	.			trans	-74	135.3	-179	-69.6	-75.6	0	0	0	110.5	G38 Q58 C79 F82 P122 I123	G38-F40 WeakPolarHBondContact O-CD2 3.46Å; G38-F40 PolarHBondContact O-N 2.9Å; F40-Q58 WeakPolarHBondContact CB-O 3.35Å; F40-Q58 WeakPolarHBondContact O-CA 3.33Å; F40-Q58 WeakPolarHBondContact O-CB 3.34Å; F40-Q58 WeakPolarHBondContact O-CG 3.31Å; F40-C79 CarbonylContact C-O 3.54Å; F40-C79 WeakPolarHBondContact CA-O 3.34Å; F40-F82 HydrophobicContact CB-CE2 4.18Å; F40-F82 HydrophobicContact CB-CZ 3.73Å; F40-F82 HydrophobicContact CD1-CE2 4.34Å; F40-F82 HydrophobicContact CD1-CZ 4.49Å; F40-P122 HydrophobicContact CB-CB 4.38Å; F40-P122 HydrophobicContact CB-CG 4.13Å; F40-P122 HydrophobicContact CD1-CB 3.79Å; F40-P122 HydrophobicContact CD1-CG 4.44Å; F40-P122 HydrophobicContact CD2-CB 3.67Å; F40-P122 HydrophobicContact CD2-CG 4.01Å; F40-P122 HydrophobicContact CE1-CB 3.88Å; F40-P122 HydrophobicContact CE2-CB 3.77Å; F40-P122 HydrophobicContact CG-CB 3.69Å; F40-P122 HydrophobicContact CG-CG 3.95Å; F40-P122 HydrophobicContact CZ-CB 3.87Å; F40-I123 WeakPolarHBondContact CZ-O 3.43Å
41	R	96.1	Very high	76.2	Confident	78 Å²	78	80 Å²	80	29%	0.294	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	120.4	-179.7	-177	170.4	150.3	174.2	-17.9	111.5	E56 E78 C79	R41-E56 HydrophobicContact CG-CG 4.14Å; R41-E56 IonicContact NE-OE2 3.57Å; R41-E78 HydrophobicContact CB-CB 4.43Å; R41-E78 WeakPolarHBondContact CD-OE2 3.44Å; R41-E78 HydrophobicContact CG-CB 4.36Å; R41-E78 IonicContact CZ-OE1 3.42Å; R41-E78 IonicContact CZ-OE2 2.89Å; R41-E78 VanDerWaalsContact NE-CD 3.31Å; R41-E78 IonicContact NE-OE1 3.59Å; R41-E78 IonicContact NE-OE2 2.73Å; R41-E78 PolarHBondContact NE-OE2 3.49Å; R41-E78 IonicContact NH1-OE2 3.7Å; R41-E78 IonicContact NH2-OE1 3.09Å; R41-E78 PolarHBondContact NH2-OE1 2.8Å; R41-E78 IonicContact NH2-OE2 3.83Å; R41-E78 PolarHBondContact NH2-OE2 3.07Å; R41-E78 PolarHBondContact O-N 2.99Å; R41-C79 HydrophobicContact CB-CB 4.26Å; R41-C79 PolarHBondContact N-O 3.43Å; R41-C79 PolarHBondContact O-N 3.4Å
42	I	97.9	Very high	79.1	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138	174.5	-174.9	175.7	0	0	0	109.7	L44 E56 V57 I75 I76 V77 F82 L97 L120	I42-L44 HydrophobicContact CD1-CD2 3.9Å; I42-L44 HydrophobicContact CG1-CD2 3.92Å; I42-E56 WeakPolarHBondContact O-CA 3.4Å; I42-V57 HydrophobicContact CG2-CB 3.68Å; I42-V57 HydrophobicContact CG2-CG2 4.32Å; I42-V57 WeakPolarHBondContact CG2-O 3.37Å; I42-V57 PolarHBondContact N-O 2.68Å; I42-V57 PolarHBondContact O-N 2.91Å; I42-I75 HydrophobicContact CD1-CG2 3.58Å; I42-I75 HydrophobicContact CG1-CG2 3.61Å; I42-I76 CarbonylContact C-O 3.59Å; I42-I76 WeakPolarHBondContact CA-O 3.38Å; I42-V77 HydrophobicContact CD1-CG2 3.82Å; I42-V77 HydrophobicContact CG1-CG2 3.9Å; I42-F82 HydrophobicContact CB-CD2 3.95Å; I42-F82 HydrophobicContact CB-CE1 4.4Å; I42-F82 HydrophobicContact CB-CE2 3.63Å; I42-F82 HydrophobicContact CB-CG 4.45Å; I42-F82 HydrophobicContact CB-CZ 3.88Å; I42-F82 HydrophobicContact CD1-CB 4.35Å; I42-F82 HydrophobicContact CD1-CD2 4.25Å; I42-F82 HydrophobicContact CD1-CG 4.21Å; I42-F82 HydrophobicContact CG2-CD1 3.96Å; I42-F82 HydrophobicContact CG2-CD2 4.11Å; I42-F82 HydrophobicContact CG2-CE1 3.57Å; I42-F82 HydrophobicContact CG2-CE2 3.72Å; I42-F82 HydrophobicContact CG2-CG 4.22Å; I42-F82 HydrophobicContact CG2-CZ 3.43Å; I42-F82 VanDerWaalsContact CG2-CZ 3.43Å; I42-L97 HydrophobicContact CD1-CD1 3.78Å; I42-L120 HydrophobicContact CD1-CD1 3.92Å; I42-L120 HydrophobicContact CG2-CD1 3.63Å
43	M	98.5	Very high	82.2	Confident	18 Å²	18	72.8 Å²	72.8	9%	0.089	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.3	177.4	-64.3	173.3	-64.1	0	0	108.8	F45 M54 I75 I76 E78	M43-F45 HydrophobicContact CB-CE2 3.75Å; M43-F45 HydrophobicContact CB-CZ 4.19Å; M43-M54 HydrophobicContact CB-CG 4.16Å; M43-M54 HydrophobicContact CB-SD 4.12Å; M43-M54 HydrophobicContact CG-SD 4.02Å; M43-I75 WeakPolarHBondContact O-CA 3.46Å; M43-I76 HydrophobicContact CB-CB 4.45Å; M43-I76 HydrophobicContact CE-CB 3.62Å; M43-I76 HydrophobicContact CE-CD1 4.09Å; M43-I76 HydrophobicContact CE-CG1 4.42Å; M43-I76 HydrophobicContact CE-CG2 3.5Å; M43-I76 PolarHBondContact N-O 3.01Å; M43-I76 PolarHBondContact O-N 3.45Å; M43-E78 HydrophobicContact CE-CG 3.8Å; M43-E78 WeakPolarHBondContact CE-OE1 3.48Å
44	L	98.6	Very high	85.3	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.9	177.1	-49.5	-175.5	0	0	0	108.9	I42 M54 M55 V57 V64 M69 V72 I75 L120	I42-L44 HydrophobicContact CD1-CD2 3.9Å; I42-L44 HydrophobicContact CG1-CD2 3.92Å; L44-M54 CarbonylContact O-C 3.55Å; L44-M54 WeakPolarHBondContact O-CA 3.28Å; L44-M55 HydrophobicContact CB-CE 4.41Å; L44-M55 HydrophobicContact CD1-CE 3.59Å; L44-M55 HydrophobicContact CG-CE 4.33Å; L44-M55 PolarHBondContact N-O 2.8Å; L44-M55 PolarHBondContact O-N 2.79Å; L44-V57 HydrophobicContact CD1-CG2 4.06Å; L44-V57 HydrophobicContact CG-CG2 4.22Å; L44-V64 HydrophobicContact CD1-CG1 4.02Å; L44-M69 HydrophobicContact CB-CE 4.32Å; L44-M69 WeakPolarHBondContact O-CE 3.47Å; L44-V72 HydrophobicContact CB-CG1 4.09Å; L44-V72 HydrophobicContact CB-CG2 4.1Å; L44-V72 HydrophobicContact CD1-CG2 3.99Å; L44-V72 HydrophobicContact CD2-CG1 4.28Å; L44-I75 HydrophobicContact CD2-CB 4.47Å; L44-I75 HydrophobicContact CD2-CD1 4.25Å; L44-I75 HydrophobicContact CD2-CG1 3.88Å; L44-I75 HydrophobicContact CD2-CG2 4.05Å; L44-L120 HydrophobicContact CD1-CD1 4.41Å; L44-L120 HydrophobicContact CD1-CD2 3.98Å
45	F	98.6	Very high	88.5	Confident	21 Å²	21	66 Å²	66	9%	0.092	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.3	-178.7	-64.1	-96.8	0	0	0	110.6	M43 Q47 F50 R53 M54 R73 S74 I76	M43-F45 HydrophobicContact CB-CE2 3.75Å; M43-F45 HydrophobicContact CB-CZ 4.19Å; F45-Q47 VanDerWaalsContact C-N 3.31Å; F45-F50 VanDerWaalsContact CD1-C 3.42Å; F45-F50 HydrophobicContact CD1-CB 4.33Å; F45-F50 WeakPolarHBondContact CD1-O 3.3Å; F45-F50 HydrophobicContact CD2-CB 4.28Å; F45-F50 HydrophobicContact CD2-CD1 4.21Å; F45-F50 HydrophobicContact CE1-CB 4.12Å; F45-F50 WeakPolarHBondContact CE1-O 3.48Å; F45-F50 HydrophobicContact CE2-CB 4.09Å; F45-F50 HydrophobicContact CE2-CD1 4.23Å; F45-F50 HydrophobicContact CG-CB 4.4Å; F45-F50 HydrophobicContact CZ-CB 4.01Å; F45-R53 WeakPolarHBondContact CA-O 3.46Å; F45-M54 HydrophobicContact CD1-CB 3.87Å; F45-M54 HydrophobicContact CD1-CG 3.98Å; F45-M54 HydrophobicContact CE1-CB 3.71Å; F45-M54 HydrophobicContact CE1-CG 3.52Å; F45-M54 HydrophobicContact CE2-CG 4.22Å; F45-M54 HydrophobicContact CZ-CB 4.36Å; F45-M54 HydrophobicContact CZ-CG 3.65Å; F45-R73 PolarHBondContact O-N 2.59Å; F45-S74 VanDerWaalsContact CB-OG 3.29Å; F45-S74 WeakPolarHBondContact CB-OG 3.43Å; F45-S74 PolarHBondContact N-O 2.66Å; F45-S74 PolarHBondContact O-N 3.38Å; F45-I76 HydrophobicContact CE2-CB 4.41Å; F45-I76 HydrophobicContact CE2-CD1 3.88Å; F45-I76 HydrophobicContact CE2-CG1 3.92Å; F45-I76 HydrophobicContact CZ-CD1 4.1Å
46	D	98	Very high	91.1	Very high	44 Å²	44	64.1 Å²	64.1	24%	0.235	34%	0.337	C	S	.	.	S	Bend	trans	-81.4	-9.3	179.4	73.6	-8	0	0	0	114.2	G52 R53 M69 R71 R73	D46-G52 VanDerWaalsContact OD1-CA 3.3Å; D46-G52 WeakPolarHBondContact OD1-CA 3.32Å; D46-R53 HydrophobicContact CB-CB 4.4Å; D46-R53 PolarHBondContact N-O 3.45Å; D46-R53 PolarHBondContact OD1-N 3.42Å; D46-R53 VanDerWaalsContact OD2-CB 3.31Å; D46-R53 WeakPolarHBondContact OD2-CB 3.45Å; D46-M69 HydrophobicContact CB-SD 3.78Å; D46-R71 WeakPolarHBondContact CA-O 3.29Å; D46-R73 WeakPolarHBondContact O-CD 3.38Å; D46-R73 VanDerWaalsContact O-CG 3.26Å; D46-R73 WeakPolarHBondContact O-CG 3.4Å
47	Q	98.4	Very high	93.6	Very high	101 Å²	101	59.3 Å²	59.3	47%	0.472	30%	0.303	S	S	.	.	S	Bend	trans	-118.7	160.4	171.7	-63.7	175.8	37.2	0	0	111.8	F45 Q51 S74	F45-Q47 VanDerWaalsContact C-N 3.31Å; Q47-Q51 HydrophobicContact CB-CB 3.93Å; Q47-Q51 WeakPolarHBondContact CB-O 3.08Å; Q47-Q51 PolarHBondContact N-O 2.79Å; Q47-S74 WeakPolarHBondContact O-CB 3.32Å; Q47-S74 PolarHBondContact O-N 3.32Å; Q47-S74 PolarHBondContact O-OG 3.27Å
48	E	98.4	Very high	95.4	Very high	71 Å²	71	57.4 Å²	57.4	33%	0.332	29%	0.285	S	S	.	.	S	Bend	trans	-68	161.3	173.4	-64.1	-176.3	-179.6	0	0	110.8	F50 R73 P103 R104	E48-F50 PolarHBondContact O-N 2.92Å; E48-R73 HydrophobicContact CG-CB 4.08Å; E48-P103 WeakPolarHBondContact CA-O 3.27Å; E48-R104 HydrophobicContact CB-CG 4.15Å; E48-R104 HydrophobicContact CG-CG 3.95Å; E48-R104 WeakPolarHBondContact OE2-CD 3.41Å; E48-R104 WeakPolarHBondContact OE2-CG 3.34Å
49	N	98.3	Very high	96.9	Very high	86 Å²	86	61.9 Å²	61.9	46%	0.46	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	37.6	176.9	-48.2	-67	0	0	0	113.8	Q51 P103	N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 WeakPolarHBondContact O-CG 3.37Å; N49-Q51 PolarHBondContact O-N 2.95Å; N49-Q51 PolarHBondContact O-NE2 3.48Å; N49-P103 PolarHBondContact N-O 3.05Å
50	F	98.3	Very high	97.4	Very high	45 Å²	45	61.5 Å²	61.5	20%	0.197	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	36.1	171.1	-34.8	-61	0	0	0	113.7	F45 E48 S74 I75 I76 E101 P103	F45-F50 VanDerWaalsContact CD1-C 3.42Å; F45-F50 HydrophobicContact CD1-CB 4.33Å; F45-F50 WeakPolarHBondContact CD1-O 3.3Å; F45-F50 HydrophobicContact CD2-CB 4.28Å; F45-F50 HydrophobicContact CD2-CD1 4.21Å; F45-F50 HydrophobicContact CE1-CB 4.12Å; F45-F50 WeakPolarHBondContact CE1-O 3.48Å; F45-F50 HydrophobicContact CE2-CB 4.09Å; F45-F50 HydrophobicContact CE2-CD1 4.23Å; F45-F50 HydrophobicContact CG-CB 4.4Å; F45-F50 HydrophobicContact CZ-CB 4.01Å; E48-F50 PolarHBondContact O-N 2.92Å; F50-S74 VanDerWaalsContact CA-OG 3.27Å; F50-S74 WeakPolarHBondContact CA-OG 3.32Å; F50-S74 PolarHBondContact N-OG 3.02Å; F50-I75 WeakPolarHBondContact CE1-O 3.5Å; F50-I76 HydrophobicContact CB-CD1 4.09Å; F50-I76 HydrophobicContact CD1-CD1 3.74Å; F50-I76 HydrophobicContact CD1-CG1 3.42Å; F50-I76 VanDerWaalsContact CD1-CG1 3.42Å; F50-I76 HydrophobicContact CD2-CD1 4.31Å; F50-I76 HydrophobicContact CE1-CD1 4.29Å; F50-I76 HydrophobicContact CE1-CG1 3.63Å; F50-I76 HydrophobicContact CG-CD1 3.76Å; F50-I76 HydrophobicContact CG-CG1 3.99Å; F50-I76 HydrophobicContact CZ-CG1 4.36Å; F50-E101 HydrophobicContact CE1-CB 4.38Å; F50-E101 HydrophobicContact CE2-CB 4.31Å; F50-E101 HydrophobicContact CE2-CG 4.5Å; F50-E101 HydrophobicContact CZ-CB 3.69Å; F50-E101 HydrophobicContact CZ-CG 4.21Å; F50-P103 HydrophobicContact CE1-CB 4.4Å; F50-P103 HydrophobicContact CE2-CB 4.24Å; F50-P103 HydrophobicContact CZ-CB 3.77Å
51	Q	98.3	Very high	97.6	Very high	113 Å²	113	60.3 Å²	60.3	53%	0.528	30%	0.295	S	S	.	.			trans	-107.1	171.6	-179.7	-58.4	-53.4	-56.2	0	0	112	Q47 N49	Q47-Q51 HydrophobicContact CB-CB 3.93Å; Q47-Q51 WeakPolarHBondContact CB-O 3.08Å; Q47-Q51 PolarHBondContact N-O 2.79Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 WeakPolarHBondContact O-CG 3.37Å; N49-Q51 PolarHBondContact O-N 2.95Å; N49-Q51 PolarHBondContact O-NE2 3.48Å
52	G	97.6	Very high	97.7	Very high	47 Å²	47	60.8 Å²	60.8	49%	0.485	30%	0.301	S	S	.	.	S	Bend	trans	78	-148.3	173	0	0	0	0	0	113.7	D46	D46-G52 VanDerWaalsContact OD1-CA 3.3Å; D46-G52 WeakPolarHBondContact OD1-CA 3.32Å
53	R	97.4	Very high	97.7	Very high	138 Å²	138	62.3 Å²	62.3	52%	0.521	31%	0.309	S	S	.	.			trans	-71.3	131.3	178.3	-176.4	-177.1	-64.3	157.3	6	109.1	F45 D46 G68	F45-R53 WeakPolarHBondContact CA-O 3.46Å; D46-R53 HydrophobicContact CB-CB 4.4Å; D46-R53 PolarHBondContact N-O 3.45Å; D46-R53 PolarHBondContact OD1-N 3.42Å; D46-R53 VanDerWaalsContact OD2-CB 3.31Å; D46-R53 WeakPolarHBondContact OD2-CB 3.45Å; R53-G68 WeakPolarHBondContact CD-O 3.19Å; R53-G68 PolarHBondContact NH1-O 3.32Å
54	M	97.6	Very high	97.7	Very high	90 Å²	90	61.4 Å²	61.4	44%	0.443	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.4	174.9	-174.1	-81.6	-72.6	0	0	110.4	M43 L44 F45 E56	M43-M54 HydrophobicContact CB-CG 4.16Å; M43-M54 HydrophobicContact CB-SD 4.12Å; M43-M54 HydrophobicContact CG-SD 4.02Å; L44-M54 CarbonylContact O-C 3.55Å; L44-M54 WeakPolarHBondContact O-CA 3.28Å; F45-M54 HydrophobicContact CD1-CB 3.87Å; F45-M54 HydrophobicContact CD1-CG 3.98Å; F45-M54 HydrophobicContact CE1-CB 3.71Å; F45-M54 HydrophobicContact CE1-CG 3.52Å; F45-M54 HydrophobicContact CE2-CG 4.22Å; F45-M54 HydrophobicContact CZ-CB 4.36Å; F45-M54 HydrophobicContact CZ-CG 3.65Å; M54-E56 HydrophobicContact SD-CB 4.3Å; M54-E56 PolarHBondContact SD-N 3.31Å
55	M	97.6	Very high	97.6	Very high	20 Å²	20	63.5 Å²	63.5	10%	0.099	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.6	169.5	177.7	-178.6	61	0	0	110	L44 V57 V64 R67 M69	L44-M55 HydrophobicContact CB-CE 4.41Å; L44-M55 HydrophobicContact CD1-CE 3.59Å; L44-M55 HydrophobicContact CG-CE 4.33Å; L44-M55 PolarHBondContact N-O 2.8Å; L44-M55 PolarHBondContact O-N 2.79Å; M55-V57 HydrophobicContact CE-CG2 3.96Å; M55-V57 HydrophobicContact CG-CG2 4.35Å; M55-V64 HydrophobicContact CE-CB 3.98Å; M55-V64 HydrophobicContact CE-CG1 4.05Å; M55-R67 HydrophobicContact SD-CB 3.41Å; M55-R67 WeakPolarHBondContact SD-CB 3.17Å; M55-R67 HydrophobicContact SD-CG 4.34Å; M55-R67 PolarHBondContact SD-NE 2.86Å; M55-M69 HydrophobicContact CB-CE 3.58Å; M55-M69 HydrophobicContact CE-CB 3.85Å; M55-M69 HydrophobicContact CE-CG 4.19Å; M55-M69 HydrophobicContact SD-CB 4.39Å
56	E	97.6	Very high	97.4	Very high	74 Å²	74	69.9 Å²	69.9	35%	0.346	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.9	170.9	-171.8	178.4	141.2	0	0	110.7	R41 I42 M54 Q58	R41-E56 HydrophobicContact CG-CG 4.14Å; R41-E56 IonicContact NE-OE2 3.57Å; I42-E56 WeakPolarHBondContact O-CA 3.4Å; M54-E56 HydrophobicContact SD-CB 4.3Å; M54-E56 PolarHBondContact SD-N 3.31Å; E56-Q58 PolarHBondContact OE1-NE2 3.32Å
57	V	97.4	Very high	97.2	Very high	3 Å²	3	73 Å²	73	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.6	175.8	-166.9	0	0	0	0	109	I42 L44 M55 N59 C61 L120	I42-V57 HydrophobicContact CG2-CB 3.68Å; I42-V57 HydrophobicContact CG2-CG2 4.32Å; I42-V57 WeakPolarHBondContact CG2-O 3.37Å; I42-V57 PolarHBondContact N-O 2.68Å; I42-V57 PolarHBondContact O-N 2.91Å; L44-V57 HydrophobicContact CD1-CG2 4.06Å; L44-V57 HydrophobicContact CG-CG2 4.22Å; M55-V57 HydrophobicContact CE-CG2 3.96Å; M55-V57 HydrophobicContact CG-CG2 4.35Å; V57-N59 WeakPolarHBondContact CG1-O 3.26Å; V57-C61 HydrophobicContact CG1-CB 4.11Å; V57-L120 HydrophobicContact CB-CD1 4.36Å; V57-L120 HydrophobicContact CG1-CD1 4.29Å; V57-L120 HydrophobicContact CG1-CG 4.44Å; V57-L120 HydrophobicContact CG2-CD1 4.45Å
58	Q	95.6	Very high	96.9	Very high	91 Å²	91	69.6 Å²	69.6	43%	0.425	35%	0.349	S	S	.	.	S	Bend	trans	-115.7	-35.4	177.8	-62.4	-179.6	-18.8	0	0	111.9	F40 E56 P122	F40-Q58 WeakPolarHBondContact CB-O 3.35Å; F40-Q58 WeakPolarHBondContact O-CA 3.33Å; F40-Q58 WeakPolarHBondContact O-CB 3.34Å; F40-Q58 WeakPolarHBondContact O-CG 3.31Å; E56-Q58 PolarHBondContact OE1-NE2 3.32Å; Q58-P122 WeakPolarHBondContact O-CG 3.33Å
59	N	95.1	Very high	96.8	Very high	116 Å²	116	66.3 Å²	66.3	62%	0.62	33%	0.334	S	S	*	.	S	Bend	trans	-107.5	-170.1	179.2	-63	-53.8	0	0	0	110.8	V57	V57-N59 WeakPolarHBondContact CG1-O 3.26Å
60	E	97	Very high	96.5	Very high	106 Å²	106	67.7 Å²	67.7	50%	0.495	34%	0.341	S	S	.	.			trans	-63.7	150.6	170.9	69.8	-177.7	-167	0	0	112.7	F90 L120 R121	E60-F90 HydrophobicContact CB-CZ 3.93Å; E60-F90 HydrophobicContact CG-CZ 4.42Å; E60-L120 CarbonylContact C-O 3.55Å; E60-L120 WeakPolarHBondContact CA-O 3.5Å; E60-R121 HydrophobicContact CB-CB 3.73Å
61	C	97.9	Very high	96.4	Very high	5 Å²	5	71.5 Å²	71.5	3%	0.034	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-139.4	108.1	176.5	-177	0	0	0	0	108.1	V57 N63 R67 S119 L120	V57-C61 HydrophobicContact CG1-CB 4.11Å; C61-N63 VanDerWaalsContact C-N 3.31Å; C61-R67 PolarHBondContact SG-NH1 2.87Å; C61-R67 VanDerWaalsContact SG-NH1 3.45Å; C61-R67 PolarHBondContact SG-NH2 2.86Å; C61-S119 CarbonylContact O-C 3.56Å; C61-S119 WeakPolarHBondContact O-CA 3.46Å; C61-S119 WeakPolarHBondContact O-CB 3.3Å; C61-L120 HydrophobicContact CB-CD2 3.77Å; C61-L120 HydrophobicContact CB-CG 4.36Å; C61-L120 PolarHBondContact N-O 2.78Å; C61-L120 PolarHBondContact O-N 3.41Å
62	M	98.1	Very high	96.4	Very high	87 Å²	87	66.4 Å²	66.4	43%	0.429	33%	0.331	S	S	.	.	S	Bend	trans	-76.4	-20.2	-177.8	-65.9	-177.6	-178.9	0	0	113.1	T88 N89 F90 S119	M62-T88 WeakPolarHBondContact O-CA 3.38Å; M62-T88 WeakPolarHBondContact O-CB 3.34Å; M62-N89 PolarHBondContact O-N 3.48Å; M62-F90 HydrophobicContact CE-CE2 4.07Å; M62-F90 HydrophobicContact CG-CE1 4.41Å; M62-F90 HydrophobicContact CG-CE2 3.86Å; M62-F90 HydrophobicContact CG-CZ 3.63Å; M62-S119 VanDerWaalsContact O-CB 3.27Å; M62-S119 WeakPolarHBondContact O-CB 3.17Å
63	N	98.1	Very high	96.4	Very high	32 Å²	32	68.5 Å²	68.5	17%	0.171	32%	0.324	C	S	.	.			trans	-155.2	107.1	179.5	-172.4	-5.2	0	0	0	110.5	C61 C65 E66 T88 M118	C61-N63 VanDerWaalsContact C-N 3.31Å; N63-C65 VanDerWaalsContact C-N 3.26Å; N63-C65 PolarHBondContact O-N 3.3Å; N63-C65 WeakPolarHBondContact OD1-CB 3.48Å; N63-C65 PolarHBondContact OD1-N 2.92Å; N63-C65 VanDerWaalsContact OD1-N 3.08Å; N63-E66 HydrophobicContact CB-CB 4.33Å; N63-E66 HydrophobicContact CB-CG 4.11Å; N63-E66 WeakPolarHBondContact ND2-CG 3.46Å; N63-E66 PolarHBondContact ND2-OE1 3.43Å; N63-E66 PolarHBondContact O-N 2.84Å; N63-T88 HydrophobicContact CB-CG2 4.09Å; N63-M118 CarbonylContact C-O 3.58Å; N63-M118 WeakPolarHBondContact CA-O 3.46Å
64	V	97.6	Very high	96.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-67.4	-27.2	178.6	-60.9	0	0	0	0	112.5	L44 M55 E66 R67 M69 L117 M118 L120	L44-V64 HydrophobicContact CD1-CG1 4.02Å; M55-V64 HydrophobicContact CE-CB 3.98Å; M55-V64 HydrophobicContact CE-CG1 4.05Å; V64-E66 VanDerWaalsContact C-N 3.32Å; V64-E66 PolarHBondContact O-N 3.14Å; V64-R67 PolarHBondContact O-N 3.27Å; V64-R67 VanDerWaalsContact O-N 3.08Å; V64-M69 CarbonylContact C-O 3.57Å; V64-M69 HydrophobicContact CB-CB 4.14Å; V64-M69 HydrophobicContact CB-CG 4.46Å; V64-M69 HydrophobicContact CG2-CB 4.46Å; V64-M69 WeakPolarHBondContact O-CB 3.49Å; V64-M69 PolarHBondContact O-N 3.29Å; V64-L117 HydrophobicContact CG1-CD2 4.42Å; V64-L117 WeakPolarHBondContact CG2-O 3.2Å; V64-M118 HydrophobicContact CG2-SD 4.36Å; V64-M118 PolarHBondContact N-O 2.77Å; V64-L120 HydrophobicContact CG1-CD2 3.64Å
65	C	96.4	Very high	96.5	Very high	43 Å²	43	57.6 Å²	57.6	29%	0.291	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-66.6	-34.2	179.1	-57.7	0	0	0	0	112	N63 R67 G68 M69 M118	N63-C65 VanDerWaalsContact C-N 3.26Å; N63-C65 PolarHBondContact O-N 3.3Å; N63-C65 WeakPolarHBondContact OD1-CB 3.48Å; N63-C65 PolarHBondContact OD1-N 2.92Å; N63-C65 VanDerWaalsContact OD1-N 3.08Å; C65-R67 PolarHBondContact O-N 2.9Å; C65-R67 VanDerWaalsContact O-N 3.12Å; C65-G68 PolarHBondContact O-N 2.89Å; C65-M69 WeakPolarHBondContact CA-O 3.36Å; C65-M69 PolarHBondContact N-O 3.27Å; C65-M118 VanDerWaalsContact SG-SD 3.65Å
66	E	95.6	Very high	96.6	Very high	156 Å²	156	58 Å²	58	73%	0.729	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-62.8	-18.3	174.8	-79.3	166.7	-150.5	0	0	112.8	N63 V64	N63-E66 HydrophobicContact CB-CB 4.33Å; N63-E66 HydrophobicContact CB-CG 4.11Å; N63-E66 WeakPolarHBondContact ND2-CG 3.46Å; N63-E66 PolarHBondContact ND2-OE1 3.43Å; N63-E66 PolarHBondContact O-N 2.84Å; V64-E66 VanDerWaalsContact C-N 3.32Å; V64-E66 PolarHBondContact O-N 3.14Å
67	R	92.8	Very high	96.6	Very high	110 Å²	110	54.6 Å²	54.6	42%	0.415	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-103	17.7	174.9	-57.4	-148	-57.6	-122.7	-1.6	113.1	M55 C61 V64 C65	M55-R67 HydrophobicContact SD-CB 3.41Å; M55-R67 WeakPolarHBondContact SD-CB 3.17Å; M55-R67 HydrophobicContact SD-CG 4.34Å; M55-R67 PolarHBondContact SD-NE 2.86Å; C61-R67 PolarHBondContact SG-NH1 2.87Å; C61-R67 VanDerWaalsContact SG-NH1 3.45Å; C61-R67 PolarHBondContact SG-NH2 2.86Å; V64-R67 PolarHBondContact O-N 3.27Å; V64-R67 VanDerWaalsContact O-N 3.08Å; C65-R67 PolarHBondContact O-N 2.9Å; C65-R67 VanDerWaalsContact O-N 3.12Å
68	G	92.3	Very high	96.4	Very high	29 Å²	29	57.5 Å²	57.5	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	25.5	175.5	0	0	0	0	0	114.2	R53 C65	R53-G68 WeakPolarHBondContact CD-O 3.19Å; R53-G68 PolarHBondContact NH1-O 3.32Å; C65-G68 PolarHBondContact O-N 2.89Å
69	M	96.1	Very high	96.3	Very high	2 Å²	2	55 Å²	55	1%	0.01	27%	0.27	C	S	.	.			trans	-112.4	90.9	174.5	-173.6	64.2	67.9	0	0	109.6	L44 D46 M55 V64 C65 R71 V72	L44-M69 HydrophobicContact CB-CE 4.32Å; L44-M69 WeakPolarHBondContact O-CE 3.47Å; D46-M69 HydrophobicContact CB-SD 3.78Å; M55-M69 HydrophobicContact CB-CE 3.58Å; M55-M69 HydrophobicContact CE-CB 3.85Å; M55-M69 HydrophobicContact CE-CG 4.19Å; M55-M69 HydrophobicContact SD-CB 4.39Å; V64-M69 CarbonylContact C-O 3.57Å; V64-M69 HydrophobicContact CB-CB 4.14Å; V64-M69 HydrophobicContact CB-CG 4.46Å; V64-M69 HydrophobicContact CG2-CB 4.46Å; V64-M69 WeakPolarHBondContact O-CB 3.49Å; V64-M69 PolarHBondContact O-N 3.29Å; C65-M69 WeakPolarHBondContact CA-O 3.36Å; C65-M69 PolarHBondContact N-O 3.27Å; M69-R71 VanDerWaalsContact C-N 3.35Å; M69-V72 HydrophobicContact CG-CG2 3.66Å; M69-V72 HydrophobicContact SD-CG2 4.4Å
70	D	93.1	Very high	96.1	Very high	115 Å²	115	49.9 Å²	49.9	62%	0.615	24%	0.244	S	C	*	.	S	Bend	trans	-72.2	-29.7	-176.6	-61.2	-38.4	0	0	0	112.9
71	R	95.3	Very high	96	Very high	125 Å²	125	44.9 Å²	44.9	47%	0.472	22%	0.221	S	C	.	.			trans	-145.9	142.8	172.6	-79.4	-167.8	-170.1	-130.1	1.7	109.9	D46 M69 D115	D46-R71 WeakPolarHBondContact CA-O 3.29Å; M69-R71 VanDerWaalsContact C-N 3.35Å; R71-D115 IonicContact NH1-OD2 3Å; R71-D115 PolarHBondContact NH1-OD2 3.16Å
72	V	98.3	Very high	96	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.036	22%	0.22	C	C	.	.			trans	-102.3	127.5	167.5	-179	0	0	0	0	108.2	L44 M69 I75 W108 L117	L44-V72 HydrophobicContact CB-CG1 4.09Å; L44-V72 HydrophobicContact CB-CG2 4.1Å; L44-V72 HydrophobicContact CD1-CG2 3.99Å; L44-V72 HydrophobicContact CD2-CG1 4.28Å; M69-V72 HydrophobicContact CG-CG2 3.66Å; M69-V72 HydrophobicContact SD-CG2 4.4Å; V72-I75 HydrophobicContact CG1-CD1 4.11Å; V72-I75 HydrophobicContact CG1-CG1 3.69Å; V72-W108 HydrophobicContact CG1-CH2 4.25Å; V72-L117 HydrophobicContact CB-CB 4.3Å; V72-L117 HydrophobicContact CG1-CD1 4.48Å; V72-L117 HydrophobicContact CG2-CD2 4.3Å
73	R	98.3	Very high	96	Very high	90 Å²	90	40.5 Å²	40.5	34%	0.34	20%	0.199	S	C	.	.			trans	-121	-22.2	-179.2	-69.9	-164.5	-174.8	-89.5	-0	113.9	F45 D46 E48 R104	F45-R73 PolarHBondContact O-N 2.59Å; D46-R73 WeakPolarHBondContact O-CD 3.38Å; D46-R73 VanDerWaalsContact O-CG 3.26Å; D46-R73 WeakPolarHBondContact O-CG 3.4Å; E48-R73 HydrophobicContact CG-CB 4.08Å; R73-R104 VanDerWaalsContact O-CA 3.32Å; R73-R104 WeakPolarHBondContact O-CA 3.48Å
74	S	98.7	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.9	168.1	60.7	0	0	0	0	111.5	F45 Q47 F50 Y102 P103	F45-S74 VanDerWaalsContact CB-OG 3.29Å; F45-S74 WeakPolarHBondContact CB-OG 3.43Å; F45-S74 PolarHBondContact N-O 2.66Å; F45-S74 PolarHBondContact O-N 3.38Å; Q47-S74 WeakPolarHBondContact O-CB 3.32Å; Q47-S74 PolarHBondContact O-N 3.32Å; Q47-S74 PolarHBondContact O-OG 3.27Å; F50-S74 VanDerWaalsContact CA-OG 3.27Å; F50-S74 WeakPolarHBondContact CA-OG 3.32Å; F50-S74 PolarHBondContact N-OG 3.02Å; S74-Y102 CarbonylContact C-O 3.6Å; S74-Y102 VanDerWaalsContact CA-O 3.29Å; S74-Y102 WeakPolarHBondContact CA-O 3.5Å; S74-Y102 WeakPolarHBondContact CB-O 3.49Å; S74-P103 WeakPolarHBondContact CB-O 3.38Å
75	I	98.8	Very high	96	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.5	-172.5	-57.8	173.9	0	0	0	109.6	I42 M43 L44 F50 V72 V77 L97 Y102 W108 L117	I42-I75 HydrophobicContact CD1-CG2 3.58Å; I42-I75 HydrophobicContact CG1-CG2 3.61Å; M43-I75 WeakPolarHBondContact O-CA 3.46Å; L44-I75 HydrophobicContact CD2-CB 4.47Å; L44-I75 HydrophobicContact CD2-CD1 4.25Å; L44-I75 HydrophobicContact CD2-CG1 3.88Å; L44-I75 HydrophobicContact CD2-CG2 4.05Å; F50-I75 WeakPolarHBondContact CE1-O 3.5Å; V72-I75 HydrophobicContact CG1-CD1 4.11Å; V72-I75 HydrophobicContact CG1-CG1 3.69Å; I75-V77 HydrophobicContact CG2-CG2 4.04Å; I75-L97 HydrophobicContact CD1-CD1 3.9Å; I75-L97 HydrophobicContact CD1-CD2 4.38Å; I75-L97 HydrophobicContact CG2-CD1 4.46Å; I75-Y102 HydrophobicContact CB-CD2 4.35Å; I75-Y102 HydrophobicContact CG2-CD2 4.32Å; I75-Y102 PolarHBondContact N-O 3.22Å; I75-Y102 PolarHBondContact O-N 2.89Å; I75-W108 HydrophobicContact CD1-CD2 3.91Å; I75-W108 HydrophobicContact CD1-CE3 3.67Å; I75-W108 HydrophobicContact CD1-CH2 4.22Å; I75-W108 HydrophobicContact CD1-CZ2 4.42Å; I75-W108 HydrophobicContact CD1-CZ3 3.85Å; I75-W108 HydrophobicContact CG1-CE3 4.04Å; I75-W108 HydrophobicContact CG1-CH2 4.3Å; I75-W108 HydrophobicContact CG1-CZ3 3.82Å; I75-L117 HydrophobicContact CD1-CD1 3.46Å; I75-L117 VanDerWaalsContact CD1-CD1 3.46Å
76	I	98.4	Very high	96.1	Very high	29 Å²	29	40 Å²	40	15%	0.149	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.8	164.5	-58.7	176.9	0	0	0	108	I42 M43 F45 F50 E78 E101	I42-I76 CarbonylContact C-O 3.59Å; I42-I76 WeakPolarHBondContact CA-O 3.38Å; M43-I76 HydrophobicContact CB-CB 4.45Å; M43-I76 HydrophobicContact CE-CB 3.62Å; M43-I76 HydrophobicContact CE-CD1 4.09Å; M43-I76 HydrophobicContact CE-CG1 4.42Å; M43-I76 HydrophobicContact CE-CG2 3.5Å; M43-I76 PolarHBondContact N-O 3.01Å; M43-I76 PolarHBondContact O-N 3.45Å; F45-I76 HydrophobicContact CE2-CB 4.41Å; F45-I76 HydrophobicContact CE2-CD1 3.88Å; F45-I76 HydrophobicContact CE2-CG1 3.92Å; F45-I76 HydrophobicContact CZ-CD1 4.1Å; F50-I76 HydrophobicContact CB-CD1 4.09Å; F50-I76 HydrophobicContact CD1-CD1 3.74Å; F50-I76 HydrophobicContact CD1-CG1 3.42Å; F50-I76 VanDerWaalsContact CD1-CG1 3.42Å; F50-I76 HydrophobicContact CD2-CD1 4.31Å; F50-I76 HydrophobicContact CE1-CD1 4.29Å; F50-I76 HydrophobicContact CE1-CG1 3.63Å; F50-I76 HydrophobicContact CG-CD1 3.76Å; F50-I76 HydrophobicContact CG-CG1 3.99Å; F50-I76 HydrophobicContact CZ-CG1 4.36Å; I76-E78 HydrophobicContact CG2-CG 4.19Å; I76-E101 HydrophobicContact CG1-CG 4.34Å; I76-E101 HydrophobicContact CG2-CG 4.48Å
77	V	97	Very high	96.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.7	171.2	-176.4	0	0	0	0	107.6	I42 I75 F82 L97 E98 K99 G100 Y102	I42-V77 HydrophobicContact CD1-CG2 3.82Å; I42-V77 HydrophobicContact CG1-CG2 3.9Å; I75-V77 HydrophobicContact CG2-CG2 4.04Å; V77-F82 HydrophobicContact CG1-CD2 4.13Å; V77-F82 HydrophobicContact CG1-CE2 4.48Å; V77-L97 HydrophobicContact CG2-CB 3.86Å; V77-E98 VanDerWaalsContact CB-O 3.27Å; V77-E98 WeakPolarHBondContact CB-O 3.44Å; V77-E98 WeakPolarHBondContact CG2-O 3.29Å; V77-K99 WeakPolarHBondContact O-CA 3.33Å; V77-K99 WeakPolarHBondContact O-CG 3.29Å; V77-G100 PolarHBondContact N-O 3.37Å; V77-G100 PolarHBondContact O-N 3.09Å; V77-Y102 HydrophobicContact CG2-CD2 4.4Å; V77-Y102 HydrophobicContact CG2-CE2 3.94Å
78	E	94.2	Very high	96.4	Very high	64 Å²	64	33.1 Å²	33.1	30%	0.299	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-42.5	176.5	-77.7	-172.2	-164.4	0	0	111.8	R41 M43 I76 K99	R41-E78 HydrophobicContact CB-CB 4.43Å; R41-E78 WeakPolarHBondContact CD-OE2 3.44Å; R41-E78 HydrophobicContact CG-CB 4.36Å; R41-E78 IonicContact CZ-OE1 3.42Å; R41-E78 IonicContact CZ-OE2 2.89Å; R41-E78 VanDerWaalsContact NE-CD 3.31Å; R41-E78 IonicContact NE-OE1 3.59Å; R41-E78 IonicContact NE-OE2 2.73Å; R41-E78 PolarHBondContact NE-OE2 3.49Å; R41-E78 IonicContact NH1-OE2 3.7Å; R41-E78 IonicContact NH2-OE1 3.09Å; R41-E78 PolarHBondContact NH2-OE1 2.8Å; R41-E78 IonicContact NH2-OE2 3.83Å; R41-E78 PolarHBondContact NH2-OE2 3.07Å; R41-E78 PolarHBondContact O-N 2.99Å; M43-E78 HydrophobicContact CE-CG 3.8Å; M43-E78 WeakPolarHBondContact CE-OE1 3.48Å; I76-E78 HydrophobicContact CG2-CG 4.19Å; E78-K99 VanDerWaalsContact O-CD 3.3Å; E78-K99 WeakPolarHBondContact O-CD 3.47Å; E78-K99 WeakPolarHBondContact O-CE 3.27Å
79	C	92.7	Very high	96.7	Very high	39 Å²	39	35.9 Å²	35.9	26%	0.264	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	100.8	-179.7	-65.3	0	0	0	0	108.9	N39 F40 R41 F82	N39-C79 WeakPolarHBondContact O-CB 3.37Å; F40-C79 CarbonylContact C-O 3.54Å; F40-C79 WeakPolarHBondContact CA-O 3.34Å; R41-C79 HydrophobicContact CB-CB 4.26Å; R41-C79 PolarHBondContact N-O 3.43Å; R41-C79 PolarHBondContact O-N 3.4Å; C79-F82 WeakPolarHBondContact O-CE2 3.47Å
80	G	91.2	Very high	96.8	Very high	7 Å²	7	38 Å²	38	7%	0.072	18%	0.184	C	C	.	.			trans	-117.7	-155.5	-178.3	0	0	0	0	0	112.1
81	P	95.1	Very high	97	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.013	18%	0.178	C	C	.	.			cis	-82.9	158.8	0.5	28.9	-26.8	0	0	0	113.7	L97 E98 I123 M125 V213	P81-L97 WeakPolarHBondContact CA-O 3.38Å; P81-E98 HydrophobicContact CB-CG 4.4Å; P81-I123 HydrophobicContact CB-CD1 4.27Å; P81-I123 HydrophobicContact CG-CB 4.14Å; P81-I123 PolarHBondContact O-N 2.88Å; P81-M125 HydrophobicContact CG-CG 4.11Å; P81-M125 HydrophobicContact CG-SD 3.73Å; P81-V213 HydrophobicContact CB-CG1 3.92Å; P81-V213 HydrophobicContact CG-CG1 3.59Å
82	F	97.2	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.9	172.5	-74.5	-100.3	0	0	0	110.8	F40 I42 V77 C79 L97 L120 R121 P122	F40-F82 HydrophobicContact CB-CE2 4.18Å; F40-F82 HydrophobicContact CB-CZ 3.73Å; F40-F82 HydrophobicContact CD1-CE2 4.34Å; F40-F82 HydrophobicContact CD1-CZ 4.49Å; I42-F82 HydrophobicContact CB-CD2 3.95Å; I42-F82 HydrophobicContact CB-CE1 4.4Å; I42-F82 HydrophobicContact CB-CE2 3.63Å; I42-F82 HydrophobicContact CB-CG 4.45Å; I42-F82 HydrophobicContact CB-CZ 3.88Å; I42-F82 HydrophobicContact CD1-CB 4.35Å; I42-F82 HydrophobicContact CD1-CD2 4.25Å; I42-F82 HydrophobicContact CD1-CG 4.21Å; I42-F82 HydrophobicContact CG2-CD1 3.96Å; I42-F82 HydrophobicContact CG2-CD2 4.11Å; I42-F82 HydrophobicContact CG2-CE1 3.57Å; I42-F82 HydrophobicContact CG2-CE2 3.72Å; I42-F82 HydrophobicContact CG2-CG 4.22Å; I42-F82 HydrophobicContact CG2-CZ 3.43Å; I42-F82 VanDerWaalsContact CG2-CZ 3.43Å; V77-F82 HydrophobicContact CG1-CD2 4.13Å; V77-F82 HydrophobicContact CG1-CE2 4.48Å; C79-F82 WeakPolarHBondContact O-CE2 3.47Å; F82-L97 HydrophobicContact CB-CB 4.24Å; F82-L97 PolarHBondContact N-O 3.44Å; F82-L97 PolarHBondContact O-N 2.73Å; F82-L120 HydrophobicContact CD1-CD1 4.06Å; F82-L120 HydrophobicContact CE1-CD1 4.46Å; F82-R121 WeakPolarHBondContact CA-O 3.46Å; F82-R121 WeakPolarHBondContact CD1-O 3.34Å; F82-P122 HydrophobicContact CD1-CG 4.28Å; F82-P122 HydrophobicContact CE1-CB 4.41Å; F82-P122 HydrophobicContact CE1-CG 3.76Å; F82-P122 HydrophobicContact CZ-CG 4.36Å
83	V	98.1	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.6	160.3	55.2	0	0	0	0	107.9	F85 M94 F95 I96 L120 R121 I123 L188	V83-F85 HydrophobicContact CB-CE2 4.35Å; V83-F85 HydrophobicContact CB-CZ 4.47Å; V83-F85 HydrophobicContact CG1-CE2 3.84Å; V83-F85 HydrophobicContact CG1-CZ 3.99Å; V83-F85 HydrophobicContact CG2-CD2 4.45Å; V83-F85 HydrophobicContact CG2-CE1 4.21Å; V83-F85 HydrophobicContact CG2-CE2 3.81Å; V83-F85 HydrophobicContact CG2-CZ 3.66Å; V83-M94 HydrophobicContact CG2-CB 4.16Å; V83-M94 HydrophobicContact CG2-CG 4.36Å; V83-F95 WeakPolarHBondContact CA-O 3.47Å; V83-I96 HydrophobicContact CB-CD1 4.07Å; V83-I96 HydrophobicContact CG2-CD1 3.9Å; V83-L120 CarbonylContact O-C 3.55Å; V83-L120 VanDerWaalsContact O-CA 3.24Å; V83-L120 WeakPolarHBondContact O-CA 3.48Å; V83-R121 HydrophobicContact CG1-CG 3.55Å; V83-R121 PolarHBondContact N-O 3.07Å; V83-R121 PolarHBondContact O-N 2.83Å; V83-I123 HydrophobicContact CB-CD1 3.94Å; V83-I123 HydrophobicContact CB-CG1 3.95Å; V83-I123 HydrophobicContact CG1-CD1 4.42Å; V83-I123 HydrophobicContact CG1-CG1 3.88Å; V83-L188 HydrophobicContact CB-CD2 4.06Å; V83-L188 HydrophobicContact CG1-CD2 3.86Å; V83-L188 HydrophobicContact CG2-CD2 4.35Å
84	A	98.4	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	159.1	172.6	0	0	0	0	0	110.6	M94 F95 L97 L117 S119 L120	A84-M94 CarbonylContact O-C 3.48Å; A84-M94 WeakPolarHBondContact O-CA 3.38Å; A84-F95 HydrophobicContact CB-CB 4.38Å; A84-F95 HydrophobicContact CB-CD2 4.29Å; A84-F95 PolarHBondContact N-O 3.1Å; A84-F95 PolarHBondContact O-N 2.94Å; A84-L97 HydrophobicContact CB-CD1 3.67Å; A84-L97 HydrophobicContact CB-CG 4.44Å; A84-L117 HydrophobicContact CB-CD1 3.58Å; A84-L117 HydrophobicContact CB-CD2 4.11Å; A84-L117 HydrophobicContact CB-CG 3.74Å; A84-S119 CarbonylContact C-O 3.56Å; A84-S119 WeakPolarHBondContact CA-O 3.33Å; A84-L120 HydrophobicContact CB-CB 3.92Å
85	F	98.5	Very high	96.9	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.7	-172.1	-60.8	-95.5	0	0	0	110.8	V83 Q87 F90 R91 E93 M94 L117 M118 S119 R121	V83-F85 HydrophobicContact CB-CE2 4.35Å; V83-F85 HydrophobicContact CB-CZ 4.47Å; V83-F85 HydrophobicContact CG1-CE2 3.84Å; V83-F85 HydrophobicContact CG1-CZ 3.99Å; V83-F85 HydrophobicContact CG2-CD2 4.45Å; V83-F85 HydrophobicContact CG2-CE1 4.21Å; V83-F85 HydrophobicContact CG2-CE2 3.81Å; V83-F85 HydrophobicContact CG2-CZ 3.66Å; F85-Q87 PolarHBondContact O-N 3.13Å; F85-F90 HydrophobicContact CD1-CB 4.25Å; F85-F90 WeakPolarHBondContact CD1-O 3.38Å; F85-F90 HydrophobicContact CD2-CB 3.88Å; F85-F90 AromaticContact CD2-CD1 3.72Å; F85-F90 HydrophobicContact CD2-CD1 3.72Å; F85-F90 HydrophobicContact CD2-CG 4.26Å; F85-F90 HydrophobicContact CE1-CB 4.04Å; F85-F90 HydrophobicContact CE2-CB 3.67Å; F85-F90 AromaticContact CE2-CD1 3.68Å; F85-F90 HydrophobicContact CE2-CD1 3.68Å; F85-F90 HydrophobicContact CE2-CG 4Å; F85-F90 HydrophobicContact CG-CB 4.17Å; F85-F90 HydrophobicContact CZ-CB 3.76Å; F85-F90 HydrophobicContact CZ-CG 4.48Å; F85-R91 WeakPolarHBondContact CB-O 3.24Å; F85-E93 CarbonylContact C-O 3.49Å; F85-E93 VanDerWaalsContact CA-O 3.29Å; F85-E93 WeakPolarHBondContact CA-O 3.42Å; F85-M94 HydrophobicContact CD1-CG 3.91Å; F85-M94 HydrophobicContact CE1-CE 3.96Å; F85-M94 HydrophobicContact CE1-CG 3.68Å; F85-M94 HydrophobicContact CE1-SD 4.29Å; F85-L117 WeakPolarHBondContact O-CA 3.32Å; F85-M118 PolarHBondContact O-N 2.81Å; F85-S119 WeakPolarHBondContact CB-OG 2.98Å; F85-S119 PolarHBondContact N-O 2.88Å; F85-S119 PolarHBondContact O-N 2.81Å; F85-R121 HydrophobicContact CE2-CG 4.44Å
86	E	97.9	Very high	96.9	Very high	54 Å²	54	31.8 Å²	31.8	25%	0.252	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	-40.1	176.2	176.8	-174.7	-158.3	0	0	112.7	E93 F95 S114 C116 M118	E86-E93 HydrophobicContact CB-CB 4.08Å; E86-E93 PolarHBondContact N-O 2.81Å; E86-E93 PolarHBondContact OE2-N 2.81Å; E86-F95 HydrophobicContact CB-CE2 4.38Å; E86-F95 HydrophobicContact CB-CZ 4.49Å; E86-S114 WeakPolarHBondContact CG-OG 3.49Å; E86-S114 VanDerWaalsContact OE1-CB 3.28Å; E86-S114 WeakPolarHBondContact OE1-CB 3.45Å; E86-S114 PolarHBondContact OE1-OG 2.81Å; E86-C116 WeakPolarHBondContact CA-O 3.43Å; E86-C116 HydrophobicContact CG-CB 4.15Å; E86-M118 WeakPolarHBondContact O-CB 3.33Å; E86-M118 WeakPolarHBondContact O-CG 3.07Å
87	Q	98	Very high	96.8	Very high	85 Å²	85	30.4 Å²	30.4	40%	0.397	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	168.8	-173.1	-52.9	175.9	18.9	0	0	111.7	F85 R91 M118 S119	F85-Q87 PolarHBondContact O-N 3.13Å; Q87-R91 WeakPolarHBondContact CA-O 3.41Å; Q87-R91 HydrophobicContact CB-CB 4.04Å; Q87-R91 VanDerWaalsContact CB-O 3.3Å; Q87-R91 WeakPolarHBondContact CB-O 3.15Å; Q87-R91 PolarHBondContact N-O 2.98Å; Q87-M118 VanDerWaalsContact C-CB 3.45Å; Q87-S119 PolarHBondContact O-OG 3.12Å
88	T	98.1	Very high	96.7	Very high	37 Å²	37	31.9 Å²	31.9	23%	0.227	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	156.1	174.2	59.8	0	0	0	0	111.4	M62 N63 F90 R91 M118	M62-T88 WeakPolarHBondContact O-CA 3.38Å; M62-T88 WeakPolarHBondContact O-CB 3.34Å; N63-T88 HydrophobicContact CB-CG2 4.09Å; T88-F90 VanDerWaalsContact C-N 3.34Å; T88-F90 PolarHBondContact O-N 2.9Å; T88-R91 PolarHBondContact O-NE 2.82Å; T88-M118 HydrophobicContact CG2-CB 4.08Å
89	N	97.8	Very high	96.7	Very high	87 Å²	87	34.2 Å²	34.2	47%	0.465	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	38.2	178.7	-52.7	-71.4	0	0	0	113.7	M62	M62-N89 PolarHBondContact O-N 3.48Å
90	F	97.6	Very high	96.8	Very high	47 Å²	47	33.7 Å²	33.7	21%	0.206	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	45.8	174.6	-42.9	-50.3	0	0	0	113.8	E60 M62 F85 T88 S119 L120 R121	E60-F90 HydrophobicContact CB-CZ 3.93Å; E60-F90 HydrophobicContact CG-CZ 4.42Å; M62-F90 HydrophobicContact CE-CE2 4.07Å; M62-F90 HydrophobicContact CG-CE1 4.41Å; M62-F90 HydrophobicContact CG-CE2 3.86Å; M62-F90 HydrophobicContact CG-CZ 3.63Å; F85-F90 HydrophobicContact CD1-CB 4.25Å; F85-F90 WeakPolarHBondContact CD1-O 3.38Å; F85-F90 HydrophobicContact CD2-CB 3.88Å; F85-F90 AromaticContact CD2-CD1 3.72Å; F85-F90 HydrophobicContact CD2-CD1 3.72Å; F85-F90 HydrophobicContact CD2-CG 4.26Å; F85-F90 HydrophobicContact CE1-CB 4.04Å; F85-F90 HydrophobicContact CE2-CB 3.67Å; F85-F90 AromaticContact CE2-CD1 3.68Å; F85-F90 HydrophobicContact CE2-CD1 3.68Å; F85-F90 HydrophobicContact CE2-CG 4Å; F85-F90 HydrophobicContact CG-CB 4.17Å; F85-F90 HydrophobicContact CZ-CB 3.76Å; F85-F90 HydrophobicContact CZ-CG 4.48Å; T88-F90 VanDerWaalsContact C-N 3.34Å; T88-F90 PolarHBondContact O-N 2.9Å; F90-S119 WeakPolarHBondContact CA-OG 3.42Å; F90-S119 PolarHBondContact N-OG 2.88Å; F90-L120 WeakPolarHBondContact CE1-O 3.44Å; F90-R121 HydrophobicContact CE1-CB 4.21Å; F90-R121 HydrophobicContact CZ-CB 4.44Å
91	R	96.9	Very high	97.1	Very high	133 Å²	133	39.6 Å²	39.6	50%	0.502	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	162.2	-176.5	-66.4	-175.4	-63.4	170.4	2.4	112.6	F85 Q87 T88	F85-R91 WeakPolarHBondContact CB-O 3.24Å; Q87-R91 WeakPolarHBondContact CA-O 3.41Å; Q87-R91 HydrophobicContact CB-CB 4.04Å; Q87-R91 VanDerWaalsContact CB-O 3.3Å; Q87-R91 WeakPolarHBondContact CB-O 3.15Å; Q87-R91 PolarHBondContact N-O 2.98Å; T88-R91 PolarHBondContact O-NE 2.82Å
92	G	96.4	Very high	97.2	Very high	33 Å²	33	41.1 Å²	41.1	34%	0.34	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-157.4	179.9	0	0	0	0	0	112
93	E	97.4	Very high	97.2	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.065	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	141.3	178.5	179.1	171.6	-163.1	0	0	112.1	F85 E86 F95 S111 Y185	F85-E93 CarbonylContact C-O 3.49Å; F85-E93 VanDerWaalsContact CA-O 3.29Å; F85-E93 WeakPolarHBondContact CA-O 3.42Å; E86-E93 HydrophobicContact CB-CB 4.08Å; E86-E93 PolarHBondContact N-O 2.81Å; E86-E93 PolarHBondContact OE2-N 2.81Å; E93-F95 HydrophobicContact CB-CE1 4.4Å; E93-F95 HydrophobicContact CB-CZ 4.16Å; E93-F95 VanDerWaalsContact CD-CE1 3.43Å; E93-F95 HydrophobicContact CG-CD1 4.29Å; E93-F95 HydrophobicContact CG-CE1 3.6Å; E93-F95 HydrophobicContact CG-CZ 3.86Å; E93-S111 WeakPolarHBondContact OE1-CB 3.24Å; E93-S111 PolarHBondContact OE1-OG 2.97Å; E93-S111 PolarHBondContact OE2-OG 2.93Å; E93-S111 VanDerWaalsContact OE2-OG 3.14Å; E93-Y185 HydrophobicContact CB-CD1 4.46Å; E93-Y185 HydrophobicContact CB-CE1 4.47Å; E93-Y185 HydrophobicContact CG-CD1 3.89Å; E93-Y185 HydrophobicContact CG-CE1 4.25Å; E93-Y185 WeakPolarHBondContact OE1-CD1 3.29Å
94	M	98.2	Very high	97.2	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.7	175.2	-59.4	177.9	-174.6	0	0	111.6	V83 A84 F85 L188 C201	V83-M94 HydrophobicContact CG2-CB 4.16Å; V83-M94 HydrophobicContact CG2-CG 4.36Å; A84-M94 CarbonylContact O-C 3.48Å; A84-M94 WeakPolarHBondContact O-CA 3.38Å; F85-M94 HydrophobicContact CD1-CG 3.91Å; F85-M94 HydrophobicContact CE1-CE 3.96Å; F85-M94 HydrophobicContact CE1-CG 3.68Å; F85-M94 HydrophobicContact CE1-SD 4.29Å; M94-L188 HydrophobicContact SD-CB 3.94Å; M94-C201 HydrophobicContact CE-CB 3.63Å
95	F	97.8	Very high	97.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.6	173.2	-44.9	-68.8	0	0	0	109.1	V83 A84 E86 E93 L97 W108 C116	V83-F95 WeakPolarHBondContact CA-O 3.47Å; A84-F95 HydrophobicContact CB-CB 4.38Å; A84-F95 HydrophobicContact CB-CD2 4.29Å; A84-F95 PolarHBondContact N-O 3.1Å; A84-F95 PolarHBondContact O-N 2.94Å; E86-F95 HydrophobicContact CB-CE2 4.38Å; E86-F95 HydrophobicContact CB-CZ 4.49Å; E93-F95 HydrophobicContact CB-CE1 4.4Å; E93-F95 HydrophobicContact CB-CZ 4.16Å; E93-F95 VanDerWaalsContact CD-CE1 3.43Å; E93-F95 HydrophobicContact CG-CD1 4.29Å; E93-F95 HydrophobicContact CG-CE1 3.6Å; E93-F95 HydrophobicContact CG-CZ 3.86Å; F95-L97 HydrophobicContact CB-CD2 4.43Å; F95-W108 AromaticContact CD1-CD1 3.79Å; F95-W108 AromaticContact CG-CD1 3.74Å; F95-C116 WeakPolarHBondContact CE2-O 3.47Å
96	I	97.3	Very high	96.9	Very high	7 Å²	7	52 Å²	52	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.3	177.6	-52.1	-54.8	0	0	0	108.9	V83 I123 V175 Q186 L188 V213	V83-I96 HydrophobicContact CB-CD1 4.07Å; V83-I96 HydrophobicContact CG2-CD1 3.9Å; I96-I123 HydrophobicContact CD1-CD1 4.25Å; I96-I123 HydrophobicContact CG2-CD1 4.23Å; I96-V175 HydrophobicContact CB-CG2 4.3Å; I96-V175 HydrophobicContact CG1-CB 4.44Å; I96-V175 HydrophobicContact CG1-CG1 3.75Å; I96-V175 HydrophobicContact CG1-CG2 3.78Å; I96-V175 HydrophobicContact CG2-CG2 4.06Å; I96-Q186 HydrophobicContact CG1-CB 4.46Å; I96-L188 HydrophobicContact CD1-CB 4.1Å; I96-L188 HydrophobicContact CD1-CD1 4.1Å; I96-V213 HydrophobicContact CG2-CG2 4.39Å
97	L	96.9	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	96.1	-172.4	-56.9	176.7	0	0	0	109	I42 I75 V77 P81 F82 A84 F95 Y102 W108 L117	I42-L97 HydrophobicContact CD1-CD1 3.78Å; I75-L97 HydrophobicContact CD1-CD1 3.9Å; I75-L97 HydrophobicContact CD1-CD2 4.38Å; I75-L97 HydrophobicContact CG2-CD1 4.46Å; V77-L97 HydrophobicContact CG2-CB 3.86Å; P81-L97 WeakPolarHBondContact CA-O 3.38Å; F82-L97 HydrophobicContact CB-CB 4.24Å; F82-L97 PolarHBondContact N-O 3.44Å; F82-L97 PolarHBondContact O-N 2.73Å; A84-L97 HydrophobicContact CB-CD1 3.67Å; A84-L97 HydrophobicContact CB-CG 4.44Å; F95-L97 HydrophobicContact CB-CD2 4.43Å; L97-Y102 HydrophobicContact CD2-CE1 4.35Å; L97-Y102 HydrophobicContact CD2-CE2 4.3Å; L97-W108 HydrophobicContact CD2-CB 3.53Å; L97-W108 HydrophobicContact CD2-CG 4.27Å; L97-L117 HydrophobicContact CD1-CD1 4.47Å
98	E	94.5	Very high	96.7	Very high	33 Å²	33	47.8 Å²	47.8	15%	0.154	24%	0.237	C	C	.	.			trans	-81.2	170.1	173.4	-68.8	167.2	142.4	0	0	109.8	V77 P81 G100 Y102 R211 R214	V77-E98 VanDerWaalsContact CB-O 3.27Å; V77-E98 WeakPolarHBondContact CB-O 3.44Å; V77-E98 WeakPolarHBondContact CG2-O 3.29Å; P81-E98 HydrophobicContact CB-CG 4.4Å; E98-G100 PolarHBondContact O-N 3.13Å; E98-Y102 PolarHBondContact N-OH 2.52Å; E98-Y102 VanDerWaalsContact N-OH 3.07Å; E98-Y102 WeakPolarHBondContact O-CE2 3.36Å; E98-Y102 PolarHBondContact O-OH 2.94Å; E98-R211 IonicContact OE1-CZ 2.74Å; E98-R211 IonicContact OE1-NH1 3.66Å; E98-R211 PolarHBondContact OE1-NH1 3.1Å; E98-R211 IonicContact OE1-NH2 4Å; E98-R211 PolarHBondContact OE1-NH2 3.19Å; E98-R211 IonicContact OE2-CZ 2.74Å; E98-R211 IonicContact OE2-NH1 3.58Å; E98-R211 PolarHBondContact OE2-NH1 2.91Å; E98-R211 IonicContact OE2-NH2 3.49Å; E98-R211 PolarHBondContact OE2-NH2 3.14Å; E98-R214 PolarHBondContact OE1-N 2.81Å
99	K	94	Very high	96.6	Very high	114 Å²	114	46 Å²	46	50%	0.496	23%	0.226	S	C	.	.	S	Bend	trans	-57.3	125.8	177.7	174.9	170.7	175.5	174.4	0	110.3	V77 E78 M216	V77-K99 WeakPolarHBondContact O-CA 3.33Å; V77-K99 WeakPolarHBondContact O-CG 3.29Å; E78-K99 VanDerWaalsContact O-CD 3.3Å; E78-K99 WeakPolarHBondContact O-CD 3.47Å; E78-K99 WeakPolarHBondContact O-CE 3.27Å; K99-M216 HydrophobicContact CB-CG 4.23Å; K99-M216 HydrophobicContact CD-CB 4.38Å; K99-M216 HydrophobicContact CD-CE 3.51Å; K99-M216 HydrophobicContact CD-CG 4.4Å; K99-M216 HydrophobicContact CG-CE 4.01Å
100	G	94.6	Very high	96.3	Very high	27 Å²	27	44.6 Å²	44.6	28%	0.278	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	-174.8	-176.7	0	0	0	0	0	113.7	V77 E98	V77-G100 PolarHBondContact N-O 3.37Å; V77-G100 PolarHBondContact O-N 3.09Å; E98-G100 PolarHBondContact O-N 3.13Å
101	E	97.5	Very high	96.1	Very high	132 Å²	132	43.3 Å²	43.3	62%	0.617	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.9	-178.8	-72.6	-176.6	-169.5	0	0	109.6	F50 I76 P103	F50-E101 HydrophobicContact CE1-CB 4.38Å; F50-E101 HydrophobicContact CE2-CB 4.31Å; F50-E101 HydrophobicContact CE2-CG 4.5Å; F50-E101 HydrophobicContact CZ-CB 3.69Å; F50-E101 HydrophobicContact CZ-CG 4.21Å; I76-E101 HydrophobicContact CG1-CG 4.34Å; I76-E101 HydrophobicContact CG2-CG 4.48Å; E101-P103 WeakPolarHBondContact O-CD 3.08Å
102	Y	98	Very high	96	Very high	33 Å²	33	44 Å²	44	13%	0.129	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	87.5	-179.2	-58.2	-92.3	0	0	0	108.8	S74 I75 V77 L97 E98 R104 T107 W108	S74-Y102 CarbonylContact C-O 3.6Å; S74-Y102 VanDerWaalsContact CA-O 3.29Å; S74-Y102 WeakPolarHBondContact CA-O 3.5Å; S74-Y102 WeakPolarHBondContact CB-O 3.49Å; I75-Y102 HydrophobicContact CB-CD2 4.35Å; I75-Y102 HydrophobicContact CG2-CD2 4.32Å; I75-Y102 PolarHBondContact N-O 3.22Å; I75-Y102 PolarHBondContact O-N 2.89Å; V77-Y102 HydrophobicContact CG2-CD2 4.4Å; V77-Y102 HydrophobicContact CG2-CE2 3.94Å; L97-Y102 HydrophobicContact CD2-CE1 4.35Å; L97-Y102 HydrophobicContact CD2-CE2 4.3Å; E98-Y102 PolarHBondContact N-OH 2.52Å; E98-Y102 VanDerWaalsContact N-OH 3.07Å; E98-Y102 WeakPolarHBondContact O-CE2 3.36Å; E98-Y102 PolarHBondContact O-OH 2.94Å; Y102-R104 PolarHBondContact O-N 3.27Å; Y102-T107 VanDerWaalsContact CA-OG1 3.24Å; Y102-T107 WeakPolarHBondContact CA-OG1 3.38Å; Y102-T107 WeakPolarHBondContact CB-OG1 3.37Å; Y102-T107 WeakPolarHBondContact CD1-O 3.42Å; Y102-W108 HydrophobicContact CD1-CB 3.91Å; Y102-W108 HydrophobicContact CE1-CB 4.33Å; Y102-W108 HydrophobicContact CG-CB 4.49Å
103	P	97.7	Very high	95.9	Very high	34 Å²	34	50.9 Å²	50.9	22%	0.221	23%	0.234	C	C	.	.			trans	-70.9	-14.6	-168.6	26.7	-35.5	0	0	0	114.3	E48 N49 F50 S74 E101 T107	E48-P103 WeakPolarHBondContact CA-O 3.27Å; N49-P103 PolarHBondContact N-O 3.05Å; F50-P103 HydrophobicContact CE1-CB 4.4Å; F50-P103 HydrophobicContact CE2-CB 4.24Å; F50-P103 HydrophobicContact CZ-CB 3.77Å; S74-P103 WeakPolarHBondContact CB-O 3.38Å; E101-P103 WeakPolarHBondContact O-CD 3.08Å; P103-T107 HydrophobicContact CG-CG2 4.09Å
104	R	97.8	Very high	95.7	Very high	95 Å²	95	50.8 Å²	50.8	36%	0.358	24%	0.235	S	C	.	.	S	Bend	trans	-152.4	164.4	-179.4	-64.2	-166.6	-54.3	-90.2	-4.1	111.9	E48 R73 Y102 D106 T107 W108	E48-R104 HydrophobicContact CB-CG 4.15Å; E48-R104 HydrophobicContact CG-CG 3.95Å; E48-R104 WeakPolarHBondContact OE2-CD 3.41Å; E48-R104 WeakPolarHBondContact OE2-CG 3.34Å; R73-R104 VanDerWaalsContact O-CA 3.32Å; R73-R104 WeakPolarHBondContact O-CA 3.48Å; Y102-R104 PolarHBondContact O-N 3.27Å; R104-D106 VanDerWaalsContact C-N 3.3Å; R104-D106 WeakPolarHBondContact CB-OD1 3.1Å; R104-D106 IonicContact CZ-OD1 3.44Å; R104-D106 IonicContact CZ-OD2 3.77Å; R104-D106 IonicContact NE-OD1 3.58Å; R104-D106 PolarHBondContact NE-OD1 3.4Å; R104-D106 IonicContact NE-OD2 3.48Å; R104-D106 IonicContact NH2-OD1 2.77Å; R104-D106 IonicContact NH2-OD2 2.92Å; R104-D106 PolarHBondContact NH2-OD2 3.35Å; R104-D106 VanDerWaalsContact NH2-OD2 3.09Å; R104-D106 PolarHBondContact O-N 2.92Å; R104-T107 HydrophobicContact CB-CG2 4.42Å; R104-T107 WeakPolarHBondContact O-CB 3.39Å; R104-T107 PolarHBondContact O-N 2.99Å; R104-T107 PolarHBondContact O-OG1 3.06Å; R104-W108 VanDerWaalsContact C-CZ3 3.44Å; R104-W108 VanDerWaalsContact O-CE3 3.23Å; R104-W108 WeakPolarHBondContact O-CZ3 3.42Å
105	W	96.9	Very high	95.5	Very high	68 Å²	68	52.7 Å²	52.7	26%	0.258	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-61.9	-33.6	-177.2	77.6	-86.4	0	0	0	114.9	T107 W108 S109 Y112 S114 D115	W105-T107 PolarHBondContact O-N 3.23Å; W105-T107 VanDerWaalsContact O-N 3.16Å; W105-W108 VanDerWaalsContact CA-CE2 3.46Å; W105-W108 HydrophobicContact CB-CH2 3.76Å; W105-W108 HydrophobicContact CB-CZ2 3.42Å; W105-W108 VanDerWaalsContact CB-CZ2 3.42Å; W105-W108 HydrophobicContact CB-CZ3 4.43Å; W105-W108 PolarHBondContact O-N 3.12Å; W105-S109 PolarHBondContact O-N 3.49Å; W105-S109 VanDerWaalsContact O-N 3.1Å; W105-Y112 HydrophobicContact CH2-CD1 4.12Å; W105-S114 WeakPolarHBondContact CZ3-O 3.34Å; W105-D115 HydrophobicContact CB-CB 4.15Å; W105-D115 HydrophobicContact CD2-CB 3.64Å; W105-D115 HydrophobicContact CE3-CB 3.97Å; W105-D115 HydrophobicContact CG-CB 3.7Å
106	D	94.7	Very high	95.4	Very high	41 Å²	41	54.7 Å²	54.7	22%	0.219	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-69.6	-6.6	176.7	61.7	-47.8	0	0	0	113.3	R104 Y112	R104-D106 VanDerWaalsContact C-N 3.3Å; R104-D106 WeakPolarHBondContact CB-OD1 3.1Å; R104-D106 IonicContact CZ-OD1 3.44Å; R104-D106 IonicContact CZ-OD2 3.77Å; R104-D106 IonicContact NE-OD1 3.58Å; R104-D106 PolarHBondContact NE-OD1 3.4Å; R104-D106 IonicContact NE-OD2 3.48Å; R104-D106 IonicContact NH2-OD1 2.77Å; R104-D106 IonicContact NH2-OD2 2.92Å; R104-D106 PolarHBondContact NH2-OD2 3.35Å; R104-D106 VanDerWaalsContact NH2-OD2 3.09Å; R104-D106 PolarHBondContact O-N 2.92Å; D106-Y112 HydrophobicContact CB-CD1 4.32Å; D106-Y112 HydrophobicContact CB-CE1 3.71Å
107	T	95.8	Very high	95.5	Very high	48 Å²	48	54.5 Å²	54.5	29%	0.294	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-92.3	-17.2	176.4	68	0	0	0	0	113.5	Y102 P103 R104 W105	Y102-T107 VanDerWaalsContact CA-OG1 3.24Å; Y102-T107 WeakPolarHBondContact CA-OG1 3.38Å; Y102-T107 WeakPolarHBondContact CB-OG1 3.37Å; Y102-T107 WeakPolarHBondContact CD1-O 3.42Å; P103-T107 HydrophobicContact CG-CG2 4.09Å; R104-T107 HydrophobicContact CB-CG2 4.42Å; R104-T107 WeakPolarHBondContact O-CB 3.39Å; R104-T107 PolarHBondContact O-N 2.99Å; R104-T107 PolarHBondContact O-OG1 3.06Å; W105-T107 PolarHBondContact O-N 3.23Å; W105-T107 VanDerWaalsContact O-N 3.16Å
108	W	95.4	Very high	95.5	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.011	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-22.4	172.7	65.1	73.4	0	0	0	113.8	V72 I75 F95 L97 Y102 R104 W105 Q186	V72-W108 HydrophobicContact CG1-CH2 4.25Å; I75-W108 HydrophobicContact CD1-CD2 3.91Å; I75-W108 HydrophobicContact CD1-CE3 3.67Å; I75-W108 HydrophobicContact CD1-CH2 4.22Å; I75-W108 HydrophobicContact CD1-CZ2 4.42Å; I75-W108 HydrophobicContact CD1-CZ3 3.85Å; I75-W108 HydrophobicContact CG1-CE3 4.04Å; I75-W108 HydrophobicContact CG1-CH2 4.3Å; I75-W108 HydrophobicContact CG1-CZ3 3.82Å; F95-W108 AromaticContact CD1-CD1 3.79Å; F95-W108 AromaticContact CG-CD1 3.74Å; L97-W108 HydrophobicContact CD2-CB 3.53Å; L97-W108 HydrophobicContact CD2-CG 4.27Å; Y102-W108 HydrophobicContact CD1-CB 3.91Å; Y102-W108 HydrophobicContact CE1-CB 4.33Å; Y102-W108 HydrophobicContact CG-CB 4.49Å; R104-W108 VanDerWaalsContact C-CZ3 3.44Å; R104-W108 VanDerWaalsContact O-CE3 3.23Å; R104-W108 WeakPolarHBondContact O-CZ3 3.42Å; W105-W108 VanDerWaalsContact CA-CE2 3.46Å; W105-W108 HydrophobicContact CB-CH2 3.76Å; W105-W108 HydrophobicContact CB-CZ2 3.42Å; W105-W108 VanDerWaalsContact CB-CZ2 3.42Å; W105-W108 HydrophobicContact CB-CZ3 4.43Å; W105-W108 PolarHBondContact O-N 3.12Å; W108-Q186 PolarHBondContact O-NE2 2.74Å
109	S	94.4	Very high	95.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.26	C	S	.	.			trans	-89.9	116.9	175.6	-177.5	0	0	0	0	111.1	W105 S111 Y112	W105-S109 PolarHBondContact O-N 3.49Å; W105-S109 VanDerWaalsContact O-N 3.1Å; S109-S111 PolarHBondContact OG-OG 2.93Å; S109-Y112 PolarHBondContact OG-N 2.78Å
110	N	92.2	Very high	96	Very high	57 Å²	57	49.5 Å²	49.5	31%	0.305	24%	0.237	S	C	.	.	S	Bend	trans	-89	-5.2	174.2	-72.8	3.9	0	0	0	113.1	Y177 Y182 G184	N110-Y177 WeakPolarHBondContact ND2-CE1 2.84Å; N110-Y182 PolarHBondContact ND2-O 2.98Å; N110-G184 CarbonylContact C-O 3.57Å; N110-G184 WeakPolarHBondContact CB-O 3.33Å; N110-G184 WeakPolarHBondContact O-CA 3.46Å; N110-G184 PolarHBondContact O-N 3.34Å
111	S	93.8	Very high	96.1	Very high	19 Å²	19	50.7 Å²	50.7	13%	0.133	23%	0.233	C	C	.	.	S	Bend	trans	-101.6	-22.9	-177.7	79	0	0	0	0	113.5	E93 S109 R113	E93-S111 WeakPolarHBondContact OE1-CB 3.24Å; E93-S111 PolarHBondContact OE1-OG 2.97Å; E93-S111 PolarHBondContact OE2-OG 2.93Å; E93-S111 VanDerWaalsContact OE2-OG 3.14Å; S109-S111 PolarHBondContact OG-OG 2.93Å; S111-R113 WeakPolarHBondContact O-CG 3.38Å; S111-R113 PolarHBondContact O-N 2.88Å; S111-R113 WeakPolarHBondContact OG-CB 3.49Å; S111-R113 WeakPolarHBondContact OG-CG 3.43Å; S111-R113 PolarHBondContact OG-N 2.94Å; S111-R113 VanDerWaalsContact OG-N 3.13Å
112	Y	94	Very high	96.1	Very high	148 Å²	148	45.4 Å²	45.4	58%	0.58	21%	0.21	S	C	*	.			trans	57.9	26.9	-171.9	-63.6	-98.3	0	0	0	113.7	W105 D106 S109	W105-Y112 HydrophobicContact CH2-CD1 4.12Å; D106-Y112 HydrophobicContact CB-CD1 4.32Å; D106-Y112 HydrophobicContact CB-CE1 3.71Å; S109-Y112 PolarHBondContact OG-N 2.78Å
113	R	94.9	Very high	96	Very high	177 Å²	177	43.8 Å²	43.8	67%	0.668	20%	0.204	S	C	*	.	S	Bend	trans	-95.3	-30.1	-175.5	-60.6	-60.2	-66.3	-112	-4.5	114.2	S111 Y185	S111-R113 WeakPolarHBondContact O-CG 3.38Å; S111-R113 PolarHBondContact O-N 2.88Å; S111-R113 WeakPolarHBondContact OG-CB 3.49Å; S111-R113 WeakPolarHBondContact OG-CG 3.43Å; S111-R113 PolarHBondContact OG-N 2.94Å; S111-R113 VanDerWaalsContact OG-N 3.13Å; R113-Y185 HydrophobicContact CB-CE1 4.2Å; R113-Y185 HydrophobicContact CG-CE1 3.97Å
114	S	92.9	Very high	95.6	Very high	13 Å²	13	52.1 Å²	52.1	9%	0.091	23%	0.231	C	C	.	.			trans	-146	136.9	-177.5	-160.8	0	0	0	0	111.2	E86 W105 C116	E86-S114 WeakPolarHBondContact CG-OG 3.49Å; E86-S114 VanDerWaalsContact OE1-CB 3.28Å; E86-S114 WeakPolarHBondContact OE1-CB 3.45Å; E86-S114 PolarHBondContact OE1-OG 2.81Å; W105-S114 WeakPolarHBondContact CZ3-O 3.34Å; S114-C116 PolarHBondContact OG-N 2.82Å
115	D	94.2	Very high	95	Very high	57 Å²	57	49.5 Å²	49.5	31%	0.305	22%	0.223	S	C	.	.			trans	-93.2	-0.5	170.3	72.5	-24.5	0	0	0	112.2	R71 W105	R71-D115 IonicContact NH1-OD2 3Å; R71-D115 PolarHBondContact NH1-OD2 3.16Å; W105-D115 HydrophobicContact CB-CB 4.15Å; W105-D115 HydrophobicContact CD2-CB 3.64Å; W105-D115 HydrophobicContact CE3-CB 3.97Å; W105-D115 HydrophobicContact CG-CB 3.7Å
116	C	96.8	Very high	94.2	Very high	42 Å²	42	49 Å²	49	28%	0.284	23%	0.225	S	C	.	.			trans	-83.1	138.6	-176	-69.4	0	0	0	0	111.6	E86 F95 S114 M118	E86-C116 WeakPolarHBondContact CA-O 3.43Å; E86-C116 HydrophobicContact CG-CB 4.15Å; F95-C116 WeakPolarHBondContact CE2-O 3.47Å; S114-C116 PolarHBondContact OG-N 2.82Å; C116-M118 HydrophobicContact CB-CE 4.42Å
117	L	98.2	Very high	93.5	Very high	3 Å²	3	53 Å²	53	2%	0.016	26%	0.257	C	S	.	.			trans	-139.1	111.1	169.5	-173.1	167.2	0	0	0	107.3	V64 V72 I75 A84 F85 L97 L120	V64-L117 HydrophobicContact CG1-CD2 4.42Å; V64-L117 WeakPolarHBondContact CG2-O 3.2Å; V72-L117 HydrophobicContact CB-CB 4.3Å; V72-L117 HydrophobicContact CG1-CD1 4.48Å; V72-L117 HydrophobicContact CG2-CD2 4.3Å; I75-L117 HydrophobicContact CD1-CD1 3.46Å; I75-L117 VanDerWaalsContact CD1-CD1 3.46Å; A84-L117 HydrophobicContact CB-CD1 3.58Å; A84-L117 HydrophobicContact CB-CD2 4.11Å; A84-L117 HydrophobicContact CB-CG 3.74Å; F85-L117 WeakPolarHBondContact O-CA 3.32Å; L97-L117 HydrophobicContact CD1-CD1 4.47Å; L117-L120 HydrophobicContact CD2-CD2 4.33Å
118	M	98.3	Very high	93	Very high	42 Å²	42	55.1 Å²	55.1	21%	0.207	27%	0.266	C	S	.	.			trans	-119.9	-20.1	-168.4	-66.3	-66	176.3	0	0	113.7	N63 V64 C65 F85 E86 Q87 T88 C116	N63-M118 CarbonylContact C-O 3.58Å; N63-M118 WeakPolarHBondContact CA-O 3.46Å; V64-M118 HydrophobicContact CG2-SD 4.36Å; V64-M118 PolarHBondContact N-O 2.77Å; C65-M118 VanDerWaalsContact SG-SD 3.65Å; F85-M118 PolarHBondContact O-N 2.81Å; E86-M118 WeakPolarHBondContact O-CB 3.33Å; E86-M118 WeakPolarHBondContact O-CG 3.07Å; Q87-M118 VanDerWaalsContact C-CB 3.45Å; T88-M118 HydrophobicContact CG2-CB 4.08Å; C116-M118 HydrophobicContact CB-CE 4.42Å
119	S	98.6	Very high	92.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.4	174.2	64.5	0	0	0	0	111.5	C61 M62 A84 F85 Q87 F90	C61-S119 CarbonylContact O-C 3.56Å; C61-S119 WeakPolarHBondContact O-CA 3.46Å; C61-S119 WeakPolarHBondContact O-CB 3.3Å; M62-S119 VanDerWaalsContact O-CB 3.27Å; M62-S119 WeakPolarHBondContact O-CB 3.17Å; A84-S119 CarbonylContact C-O 3.56Å; A84-S119 WeakPolarHBondContact CA-O 3.33Å; F85-S119 WeakPolarHBondContact CB-OG 2.98Å; F85-S119 PolarHBondContact N-O 2.88Å; F85-S119 PolarHBondContact O-N 2.81Å; Q87-S119 PolarHBondContact O-OG 3.12Å; F90-S119 WeakPolarHBondContact CA-OG 3.42Å; F90-S119 PolarHBondContact N-OG 2.88Å
120	L	98.6	Very high	92.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	154.8	-179.4	65.6	159.6	0	0	0	111.9	I42 L44 V57 E60 C61 V64 F82 V83 A84 F90 L117	I42-L120 HydrophobicContact CD1-CD1 3.92Å; I42-L120 HydrophobicContact CG2-CD1 3.63Å; L44-L120 HydrophobicContact CD1-CD1 4.41Å; L44-L120 HydrophobicContact CD1-CD2 3.98Å; V57-L120 HydrophobicContact CB-CD1 4.36Å; V57-L120 HydrophobicContact CG1-CD1 4.29Å; V57-L120 HydrophobicContact CG1-CG 4.44Å; V57-L120 HydrophobicContact CG2-CD1 4.45Å; E60-L120 CarbonylContact C-O 3.55Å; E60-L120 WeakPolarHBondContact CA-O 3.5Å; C61-L120 HydrophobicContact CB-CD2 3.77Å; C61-L120 HydrophobicContact CB-CG 4.36Å; C61-L120 PolarHBondContact N-O 2.78Å; C61-L120 PolarHBondContact O-N 3.41Å; V64-L120 HydrophobicContact CG1-CD2 3.64Å; F82-L120 HydrophobicContact CD1-CD1 4.06Å; F82-L120 HydrophobicContact CE1-CD1 4.46Å; V83-L120 CarbonylContact O-C 3.55Å; V83-L120 VanDerWaalsContact O-CA 3.24Å; V83-L120 WeakPolarHBondContact O-CA 3.48Å; A84-L120 HydrophobicContact CB-CB 3.92Å; F90-L120 WeakPolarHBondContact CE1-O 3.44Å; L117-L120 HydrophobicContact CD2-CD2 4.33Å
121	R	98.1	Very high	92.8	Very high	53 Å²	53	61.6 Å²	61.6	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.4	170.7	64.7	169.7	-179	91.4	-10.9	112	E60 F82 V83 F85 F90 E190	E60-R121 HydrophobicContact CB-CB 3.73Å; F82-R121 WeakPolarHBondContact CA-O 3.46Å; F82-R121 WeakPolarHBondContact CD1-O 3.34Å; V83-R121 HydrophobicContact CG1-CG 3.55Å; V83-R121 PolarHBondContact N-O 3.07Å; V83-R121 PolarHBondContact O-N 2.83Å; F85-R121 HydrophobicContact CE2-CG 4.44Å; F90-R121 HydrophobicContact CE1-CB 4.21Å; F90-R121 HydrophobicContact CZ-CB 4.44Å; R121-E190 IonicContact CZ-OE1 3.79Å; R121-E190 IonicContact CZ-OE2 3.64Å; R121-E190 IonicContact NH1-OE1 2.94Å; R121-E190 PolarHBondContact NH1-OE1 3.06Å; R121-E190 IonicContact NH1-OE2 3.88Å; R121-E190 IonicContact NH2-OE1 2.99Å; R121-E190 PolarHBondContact NH2-OE1 3.01Å; R121-E190 IonicContact NH2-OE2 3.72Å; R121-E190 PolarHBondContact NH2-OE2 3.06Å
122	P	96.9	Very high	93.1	Very high	20 Å²	20	60.7 Å²	60.7	13%	0.13	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	145.3	164.8	-24.6	34.7	0	0	0	111.8	F40 Q58 F82	F40-P122 HydrophobicContact CB-CB 4.38Å; F40-P122 HydrophobicContact CB-CG 4.13Å; F40-P122 HydrophobicContact CD1-CB 3.79Å; F40-P122 HydrophobicContact CD1-CG 4.44Å; F40-P122 HydrophobicContact CD2-CB 3.67Å; F40-P122 HydrophobicContact CD2-CG 4.01Å; F40-P122 HydrophobicContact CE1-CB 3.88Å; F40-P122 HydrophobicContact CE2-CB 3.77Å; F40-P122 HydrophobicContact CG-CB 3.69Å; F40-P122 HydrophobicContact CG-CG 3.95Å; F40-P122 HydrophobicContact CZ-CB 3.87Å; Q58-P122 WeakPolarHBondContact O-CG 3.33Å; F82-P122 HydrophobicContact CD1-CG 4.28Å; F82-P122 HydrophobicContact CE1-CB 4.41Å; F82-P122 HydrophobicContact CE1-CG 3.76Å; F82-P122 HydrophobicContact CZ-CG 4.36Å
123	I	95.1	Very high	93.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.			trans	-95.6	123.5	169	-62.1	172.6	0	0	0	107.3	F40 P81 V83 I96 M125 V173 L188	F40-I123 WeakPolarHBondContact CZ-O 3.43Å; P81-I123 HydrophobicContact CB-CD1 4.27Å; P81-I123 HydrophobicContact CG-CB 4.14Å; P81-I123 PolarHBondContact O-N 2.88Å; V83-I123 HydrophobicContact CB-CD1 3.94Å; V83-I123 HydrophobicContact CB-CG1 3.95Å; V83-I123 HydrophobicContact CG1-CD1 4.42Å; V83-I123 HydrophobicContact CG1-CG1 3.88Å; I96-I123 HydrophobicContact CD1-CD1 4.25Å; I96-I123 HydrophobicContact CG2-CD1 4.23Å; I123-M125 HydrophobicContact CG2-SD 3.99Å; I123-M125 PolarHBondContact O-N 3.39Å; I123-V173 HydrophobicContact CG2-CG1 3.8Å; I123-V173 HydrophobicContact CG2-CG2 4.36Å; I123-L188 HydrophobicContact CD1-CD1 3.99Å; I123-L188 HydrophobicContact CD1-CD2 4.25Å; I123-L188 HydrophobicContact CG1-CD2 4.14Å; I123-L188 HydrophobicContact CG2-CD1 4.46Å
124	R	89	Confident	93.5	Very high	209 Å²	209	45.7 Å²	45.7	79%	0.789	23%	0.231	S	C	*	.			trans	-81.5	112.6	178.1	-67.6	-176.8	-176.8	169.4	2	108.7
125	M	85.8	Confident	93.7	Very high	39 Å²	39	46 Å²	46	19%	0.192	23%	0.23	C	C	.	.			trans	-82.1	143.6	173.4	-55	-60.1	-80.8	0	0	109.4	P81 I123 V173 V213 D215	P81-M125 HydrophobicContact CG-CG 4.11Å; P81-M125 HydrophobicContact CG-SD 3.73Å; I123-M125 HydrophobicContact CG2-SD 3.99Å; I123-M125 PolarHBondContact O-N 3.39Å; M125-V173 HydrophobicContact CE-CB 4.4Å; M125-V173 HydrophobicContact SD-CB 4.07Å; M125-V173 HydrophobicContact SD-CG2 3.83Å; M125-V213 HydrophobicContact CE-CB 4Å; M125-V213 HydrophobicContact CE-CG1 3.89Å; M125-V213 WeakPolarHBondContact CE-O 3.23Å; M125-V213 HydrophobicContact SD-CB 4.42Å; M125-V213 HydrophobicContact SD-CG1 4.03Å; M125-D215 HydrophobicContact CE-CB 4.07Å; M125-D215 HydrophobicContact CG-CB 4.24Å
126	D	81.3	Confident	93.9	Very high	57 Å²	57	45.5 Å²	45.5	31%	0.305	23%	0.226	S	C	.	.			trans	-113.3	165.4	170.8	63.8	52.9	0	0	0	110.5	L128 G172 C191	D126-L128 VanDerWaalsContact C-N 3.28Å; D126-L128 HydrophobicContact CB-CG 4.33Å; D126-L128 VanDerWaalsContact OD1-CB 3.23Å; D126-L128 WeakPolarHBondContact OD1-CB 3.18Å; D126-L128 PolarHBondContact OD1-N 2.97Å; D126-G172 PolarHBondContact OD1-N 3.28Å; D126-C191 PolarHBondContact OD2-SG 3.1Å
127	S	79.9	Confident	94	Very high	126 Å²	126	46.9 Å²	46.9	88%	0.881	23%	0.231	S	C	*	.	S	Bend	trans	-93.2	17.7	177.3	68.4	0	0	0	0	112.4
128	L	84.7	Confident	94	Very high	92 Å²	92	48.1 Å²	48.1	48%	0.482	24%	0.239	S	C	.	.	S	Bend	trans	-78.8	154.1	-179.6	-57.2	175.2	0	0	0	109.7	D126 H130	D126-L128 VanDerWaalsContact C-N 3.28Å; D126-L128 HydrophobicContact CB-CG 4.33Å; D126-L128 VanDerWaalsContact OD1-CB 3.23Å; D126-L128 WeakPolarHBondContact OD1-CB 3.18Å; D126-L128 PolarHBondContact OD1-N 2.97Å; L128-H130 PolarHBondContact O-N 3.44Å
129	E	88.5	Confident	94	Very high	129 Å²	129	50.2 Å²	50.2	60%	0.603	25%	0.252	S	S	*	.			trans	-58.4	135.4	169.4	-68.9	-178.4	-173.5	0	0	109.7	K131 Q148 G171	E129-K131 PolarHBondContact O-N 3.29Å; E129-K131 VanDerWaalsContact O-N 3.14Å; E129-Q148 PolarHBondContact OE2-NE2 3.23Å; E129-G171 CarbonylContact O-C 3.29Å; E129-G171 VanDerWaalsContact O-C 3.29Å; E129-G171 WeakPolarHBondContact O-CA 3.45Å
130	H	93	Very high	94	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.056	26%	0.259	C	S	.	.			trans	-71.7	113.8	179.4	-76.1	71.1	0	0	0	108.9	L128 Q148 E149 W174 R212	L128-H130 PolarHBondContact O-N 3.44Å; H130-Q148 WeakPolarHBondContact O-CA 3.47Å; H130-E149 PolarHBondContact O-N 3.09Å; H130-W174 VanDerWaalsContact C-CZ2 3.46Å; H130-W174 HydrophobicContact CB-CH2 4.28Å; H130-W174 HydrophobicContact CB-CZ2 3.63Å; H130-R212 HydrophobicContact CB-CG 3.97Å
131	K	97.1	Very high	94	Very high	56 Å²	56	57.9 Å²	57.9	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.6	174.9	-176	170.2	-178.2	146	0	111.1	E129 E146 I147 P170 G171	E129-K131 PolarHBondContact O-N 3.29Å; E129-K131 VanDerWaalsContact O-N 3.14Å; K131-E146 WeakPolarHBondContact CE-OE1 3.34Å; K131-E146 IonicContact NZ-OE1 2.68Å; K131-E146 PolarHBondContact NZ-OE1 3.08Å; K131-E146 IonicContact NZ-OE2 3.77Å; K131-I147 WeakPolarHBondContact CA-O 3.43Å; K131-P170 HydrophobicContact CB-CB 4.36Å; K131-P170 HydrophobicContact CD-CB 4.34Å; K131-P170 HydrophobicContact CD-CG 4.21Å; K131-P170 HydrophobicContact CG-CB 4.4Å; K131-P170 HydrophobicContact CG-CG 4.12Å; K131-P170 VanDerWaalsContact O-CD 3.27Å; K131-P170 WeakPolarHBondContact O-CD 3.5Å; K131-G171 PolarHBondContact N-O 3.21Å; K131-G171 VanDerWaalsContact O-O 3.07Å
132	I	98.4	Very high	94	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.1	175.3	-170.9	167.8	0	0	0	110.8	L134 E146 I147 V167 R168 V169 W174 F189 M210	I132-L134 HydrophobicContact CD1-CD2 3.93Å; I132-L134 HydrophobicContact CG1-CD2 3.91Å; I132-E146 WeakPolarHBondContact O-CA 3.44Å; I132-I147 HydrophobicContact CG2-CB 3.75Å; I132-I147 HydrophobicContact CG2-CD1 4.25Å; I132-I147 HydrophobicContact CG2-CG1 4.34Å; I132-I147 PolarHBondContact N-O 3.21Å; I132-I147 PolarHBondContact O-N 2.93Å; I132-V167 HydrophobicContact CD1-CG1 3.67Å; I132-V167 HydrophobicContact CG1-CG1 3.66Å; I132-R168 CarbonylContact C-O 3.54Å; I132-R168 WeakPolarHBondContact CA-O 3.27Å; I132-V169 HydrophobicContact CD1-CG2 4.11Å; I132-V169 HydrophobicContact CG1-CG2 4.12Å; I132-W174 HydrophobicContact CB-CD2 3.99Å; I132-W174 HydrophobicContact CB-CG 4.21Å; I132-W174 HydrophobicContact CB-CZ2 4.07Å; I132-W174 HydrophobicContact CD1-CB 3.97Å; I132-W174 HydrophobicContact CD1-CD2 4.34Å; I132-W174 HydrophobicContact CD1-CG 3.94Å; I132-W174 HydrophobicContact CG2-CD2 3.67Å; I132-W174 HydrophobicContact CG2-CE3 3.81Å; I132-W174 HydrophobicContact CG2-CG 4.32Å; I132-W174 HydrophobicContact CG2-CH2 3.78Å; I132-W174 HydrophobicContact CG2-CZ2 3.63Å; I132-W174 HydrophobicContact CG2-CZ3 3.87Å; I132-F189 HydrophobicContact CD1-CB 4.29Å; I132-F189 HydrophobicContact CD1-CG 4.32Å; I132-M210 HydrophobicContact CD1-CE 3.98Å; I132-M210 HydrophobicContact CD1-SD 3.93Å; I132-M210 HydrophobicContact CG2-CG 4.38Å
133	C	98.6	Very high	94.1	Very high	10 Å²	10	61.4 Å²	61.4	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.9	173.2	-60.3	0	0	0	0	109.4	F135 M145 V167 R168	C133-F135 HydrophobicContact CB-CE2 3.65Å; C133-F135 HydrophobicContact CB-CZ 4.09Å; C133-M145 CarbonylContact C-O 3.51Å; C133-M145 WeakPolarHBondContact CA-O 3.44Å; C133-V167 CarbonylContact O-C 3.55Å; C133-V167 WeakPolarHBondContact O-CA 3.14Å; C133-R168 HydrophobicContact CB-CB 4.28Å; C133-R168 PolarHBondContact N-O 2.87Å; C133-R168 PolarHBondContact O-N 3.38Å
134	L	98.8	Very high	94.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.1	174.6	-48.8	-179.8	0	0	0	109.5	I132 K144 M145 I147 L155 F160 V164 V167 M210	I132-L134 HydrophobicContact CD1-CD2 3.93Å; I132-L134 HydrophobicContact CG1-CD2 3.91Å; L134-K144 WeakPolarHBondContact O-CA 3.47Å; L134-M145 PolarHBondContact N-O 2.83Å; L134-M145 PolarHBondContact O-N 3.01Å; L134-I147 HydrophobicContact CD1-CD1 4.11Å; L134-L155 HydrophobicContact CD1-CD1 3.88Å; L134-L155 HydrophobicContact CD1-CD2 3.9Å; L134-F160 HydrophobicContact CB-CE1 4.3Å; L134-F160 HydrophobicContact CB-CZ 4.25Å; L134-V164 HydrophobicContact CB-CG1 4.36Å; L134-V164 HydrophobicContact CB-CG2 4.45Å; L134-V164 HydrophobicContact CD1-CG2 4.37Å; L134-V164 HydrophobicContact CD2-CG1 4.31Å; L134-V167 HydrophobicContact CD2-CG1 4.13Å; L134-V167 HydrophobicContact CD2-CG2 3.89Å; L134-M210 HydrophobicContact CD1-CE 4.4Å; L134-M210 HydrophobicContact CD2-CE 3.88Å
135	F	98.8	Very high	94.6	Very high	18 Å²	18	57.6 Å²	57.6	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.7	177.3	-61.9	-95.3	0	0	0	109.8	C133 L137 F140 N143 K144 G165 S166 R168	C133-F135 HydrophobicContact CB-CE2 3.65Å; C133-F135 HydrophobicContact CB-CZ 4.09Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.94Å; F135-F140 VanDerWaalsContact CD1-C 3.42Å; F135-F140 HydrophobicContact CD1-CB 3.99Å; F135-F140 WeakPolarHBondContact CD1-O 3.36Å; F135-F140 HydrophobicContact CD2-CB 4.11Å; F135-F140 AromaticContact CD2-CD1 3.87Å; F135-F140 HydrophobicContact CD2-CD1 3.87Å; F135-F140 HydrophobicContact CD2-CG 4.49Å; F135-F140 HydrophobicContact CE1-CB 3.92Å; F135-F140 HydrophobicContact CE2-CB 4.07Å; F135-F140 AromaticContact CE2-CD1 3.91Å; F135-F140 HydrophobicContact CE2-CD1 3.91Å; F135-F140 HydrophobicContact CE2-CG 4.4Å; F135-F140 HydrophobicContact CG-CB 4.08Å; F135-F140 HydrophobicContact CZ-CB 3.97Å; F135-N143 WeakPolarHBondContact CA-O 3.45Å; F135-K144 HydrophobicContact CD1-CB 4.15Å; F135-K144 HydrophobicContact CD1-CG 4.11Å; F135-K144 HydrophobicContact CE1-CB 4.13Å; F135-K144 HydrophobicContact CE1-CD 3.92Å; F135-K144 HydrophobicContact CE1-CG 3.75Å; F135-K144 HydrophobicContact CZ-CD 4.12Å; F135-K144 HydrophobicContact CZ-CG 4.12Å; F135-G165 PolarHBondContact O-N 2.81Å; F135-S166 WeakPolarHBondContact CB-OG 3.35Å; F135-S166 PolarHBondContact N-O 3.09Å; F135-S166 PolarHBondContact O-N 2.77Å; F135-R168 HydrophobicContact CE2-CB 4.48Å; F135-R168 HydrophobicContact CE2-CG 4.02Å
136	E	98.4	Very high	95.2	Very high	47 Å²	47	59.7 Å²	59.7	22%	0.22	32%	0.317	C	S	.	.	S	Bend	trans	-62.1	-39.3	-176.8	-176.7	-176.2	167.2	0	0	111.8	N143 F160 R163 G165	E136-N143 HydrophobicContact CB-CB 4.19Å; E136-N143 PolarHBondContact N-O 3.44Å; E136-N143 WeakPolarHBondContact OE2-CB 3.23Å; E136-N143 VanDerWaalsContact OE2-CG 3.32Å; E136-N143 PolarHBondContact OE2-ND2 2.81Å; E136-F160 HydrophobicContact CB-CZ 4.38Å; E136-R163 HydrophobicContact CG-CB 4.4Å; E136-R163 PolarHBondContact O-NH1 2.83Å; E136-G165 PolarHBondContact O-N 3.44Å; E136-G165 VanDerWaalsContact O-N 3.13Å
137	L	98.5	Very high	96	Very high	71 Å²	71	57.3 Å²	57.3	37%	0.372	30%	0.304	S	S	.	.	S	Bend	trans	-110.4	171.1	-177.7	-54.7	178.2	0	0	0	111.5	F135 K141 G165 S166	F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.94Å; L137-K141 HydrophobicContact CB-CB 4.07Å; L137-K141 WeakPolarHBondContact CB-O 3.27Å; L137-K141 HydrophobicContact CD1-CB 4.5Å; L137-K141 PolarHBondContact N-O 2.88Å; L137-G165 CarbonylContact O-C 3.54Å; L137-S166 WeakPolarHBondContact O-CB 3.38Å; L137-S166 PolarHBondContact O-N 3.45Å; L137-S166 PolarHBondContact O-OG 2.92Å
138	S	98.4	Very high	96.8	Very high	29 Å²	29	55.7 Å²	55.7	20%	0.203	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-69.1	163.1	174.4	-56.7	0	0	0	0	112.2	F140 K141 R195 H196	S138-F140 PolarHBondContact O-N 3.26Å; S138-K141 PolarHBondContact O-N 2.89Å; S138-R195 CarbonylContact C-O 3.57Å; S138-R195 WeakPolarHBondContact CA-O 3.25Å; S138-R195 WeakPolarHBondContact CB-O 3.43Å; S138-H196 PolarHBondContact OG-CD2 2.88Å; S138-H196 VanDerWaalsContact OG-CD2 3.27Å
139	D	98.4	Very high	97.2	Very high	87 Å²	87	56.5 Å²	56.5	47%	0.465	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	55.2	33.8	-178.1	-59.8	-54.1	0	0	0	114.1	K141 R195	D139-K141 PolarHBondContact O-N 2.66Å; D139-R195 PolarHBondContact N-O 2.89Å
140	F	98.6	Very high	97.4	Very high	33 Å²	33	54.7 Å²	54.7	15%	0.145	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	63	39.4	175.8	-38.1	-65.1	0	0	0	114	F135 S138 S166 V167 R168 D193 R195	F135-F140 VanDerWaalsContact CD1-C 3.42Å; F135-F140 HydrophobicContact CD1-CB 3.99Å; F135-F140 WeakPolarHBondContact CD1-O 3.36Å; F135-F140 HydrophobicContact CD2-CB 4.11Å; F135-F140 AromaticContact CD2-CD1 3.87Å; F135-F140 HydrophobicContact CD2-CD1 3.87Å; F135-F140 HydrophobicContact CD2-CG 4.49Å; F135-F140 HydrophobicContact CE1-CB 3.92Å; F135-F140 HydrophobicContact CE2-CB 4.07Å; F135-F140 AromaticContact CE2-CD1 3.91Å; F135-F140 HydrophobicContact CE2-CD1 3.91Å; F135-F140 HydrophobicContact CE2-CG 4.4Å; F135-F140 HydrophobicContact CG-CB 4.08Å; F135-F140 HydrophobicContact CZ-CB 3.97Å; S138-F140 PolarHBondContact O-N 3.26Å; F140-S166 VanDerWaalsContact CA-OG 3.27Å; F140-S166 WeakPolarHBondContact CA-OG 3.35Å; F140-S166 PolarHBondContact N-OG 3.5Å; F140-V167 WeakPolarHBondContact CE1-O 3.41Å; F140-R168 HydrophobicContact CD1-CG 3.56Å; F140-R168 HydrophobicContact CE1-CG 3.34Å; F140-R168 HydrophobicContact CG-CG 4.35Å; F140-R168 VanDerWaalsContact CG-NE 3.3Å; F140-R168 VanDerWaalsContact CG-NH2 3.33Å; F140-R168 HydrophobicContact CZ-CG 3.94Å; F140-D193 HydrophobicContact CZ-CB 3.87Å; F140-R195 HydrophobicContact CE1-CG 4.43Å; F140-R195 HydrophobicContact CE2-CG 3.7Å; F140-R195 HydrophobicContact CZ-CB 4.44Å; F140-R195 HydrophobicContact CZ-CG 3.54Å
141	K	98.5	Very high	97.6	Very high	127 Å²	127	55.2 Å²	55.2	55%	0.552	28%	0.282	S	S	*	.			trans	-111.2	167.8	-178.1	-64.4	174.3	-175.4	166.7	0	112.1	L137 S138 D139	L137-K141 HydrophobicContact CB-CB 4.07Å; L137-K141 WeakPolarHBondContact CB-O 3.27Å; L137-K141 HydrophobicContact CD1-CB 4.5Å; L137-K141 PolarHBondContact N-O 2.88Å; S138-K141 PolarHBondContact O-N 2.89Å; D139-K141 PolarHBondContact O-N 2.66Å
142	G	97.9	Very high	97.6	Very high	49 Å²	49	52.7 Å²	52.7	51%	0.505	27%	0.271	S	S	.	.	S	Bend	trans	80.5	-158.6	178.6	0	0	0	0	0	112.4
143	N	97.9	Very high	97.6	Very high	99 Å²	99	55.7 Å²	55.7	53%	0.529	29%	0.291	S	S	.	.	S	Bend	trans	-61.6	141.5	177.2	-67.3	-39.2	0	0	0	110.7	F135 E136 F160	F135-N143 WeakPolarHBondContact CA-O 3.45Å; E136-N143 HydrophobicContact CB-CB 4.19Å; E136-N143 PolarHBondContact N-O 3.44Å; E136-N143 WeakPolarHBondContact OE2-CB 3.23Å; E136-N143 VanDerWaalsContact OE2-CG 3.32Å; E136-N143 PolarHBondContact OE2-ND2 2.81Å; N143-F160 HydrophobicContact CB-CE2 4.13Å
144	K	98.1	Very high	97.5	Very high	110 Å²	110	57.2 Å²	57.2	48%	0.478	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.4	-179.6	-177.9	-166.9	171.5	-158.5	0	110	L134 F135 E146	L134-K144 WeakPolarHBondContact O-CA 3.47Å; F135-K144 HydrophobicContact CD1-CB 4.15Å; F135-K144 HydrophobicContact CD1-CG 4.11Å; F135-K144 HydrophobicContact CE1-CB 4.13Å; F135-K144 HydrophobicContact CE1-CD 3.92Å; F135-K144 HydrophobicContact CE1-CG 3.75Å; F135-K144 HydrophobicContact CZ-CD 4.12Å; F135-K144 HydrophobicContact CZ-CG 4.12Å; K144-E146 IonicContact NZ-OE2 3.54Å; K144-E146 PolarHBondContact NZ-OE2 2.78Å
145	M	98.2	Very high	97.5	Very high	18 Å²	18	57.2 Å²	57.2	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.5	165.8	178.4	173.6	177.6	0	0	109.5	C133 L134 I147 V152 L155 H158 F160	C133-M145 CarbonylContact C-O 3.51Å; C133-M145 WeakPolarHBondContact CA-O 3.44Å; L134-M145 PolarHBondContact N-O 2.83Å; L134-M145 PolarHBondContact O-N 3.01Å; M145-I147 HydrophobicContact CE-CD1 4.06Å; M145-I147 HydrophobicContact CE-CG1 3.85Å; M145-I147 HydrophobicContact CG-CG1 4.36Å; M145-V152 HydrophobicContact CE-CG1 4.15Å; M145-V152 HydrophobicContact CE-CG2 4.27Å; M145-L155 HydrophobicContact CE-CD2 4.15Å; M145-L155 HydrophobicContact SD-CD2 3.99Å; M145-H158 HydrophobicContact CE-CB 3.36Å; M145-H158 HydrophobicContact SD-CB 3.95Å; M145-F160 HydrophobicContact CB-CB 4.49Å; M145-F160 HydrophobicContact CB-CD2 3.51Å; M145-F160 HydrophobicContact CB-CE2 3.76Å; M145-F160 HydrophobicContact CB-CG 3.97Å; M145-F160 HydrophobicContact CB-CZ 4.41Å; M145-F160 HydrophobicContact SD-CB 3.71Å; M145-F160 HydrophobicContact SD-CD2 4.45Å; M145-F160 HydrophobicContact SD-CG 4.02Å
146	E	98.3	Very high	97.4	Very high	83 Å²	83	62.2 Å²	62.2	39%	0.388	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.7	175.8	-173.1	168	122.6	0	0	108.7	K131 I132 K144	K131-E146 WeakPolarHBondContact CE-OE1 3.34Å; K131-E146 IonicContact NZ-OE1 2.68Å; K131-E146 PolarHBondContact NZ-OE1 3.08Å; K131-E146 IonicContact NZ-OE2 3.77Å; I132-E146 WeakPolarHBondContact O-CA 3.44Å; K144-E146 IonicContact NZ-OE2 3.54Å; K144-E146 PolarHBondContact NZ-OE2 2.78Å
147	I	97.8	Very high	97.3	Very high	7 Å²	7	63.6 Å²	63.6	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.6	177.5	-50.8	169.5	0	0	0	106.7	K131 I132 L134 M145 D150 V152 L155 W174 M210	K131-I147 WeakPolarHBondContact CA-O 3.43Å; I132-I147 HydrophobicContact CG2-CB 3.75Å; I132-I147 HydrophobicContact CG2-CD1 4.25Å; I132-I147 HydrophobicContact CG2-CG1 4.34Å; I132-I147 PolarHBondContact N-O 3.21Å; I132-I147 PolarHBondContact O-N 2.93Å; L134-I147 HydrophobicContact CD1-CD1 4.11Å; M145-I147 HydrophobicContact CE-CD1 4.06Å; M145-I147 HydrophobicContact CE-CG1 3.85Å; M145-I147 HydrophobicContact CG-CG1 4.36Å; I147-D150 WeakPolarHBondContact CG2-O 3.5Å; I147-V152 HydrophobicContact CD1-CB 4.18Å; I147-V152 HydrophobicContact CD1-CG2 3.75Å; I147-V152 HydrophobicContact CG1-CG2 4.03Å; I147-V152 HydrophobicContact CG2-CG2 3.74Å; I147-L155 HydrophobicContact CD1-CD2 4.26Å; I147-W174 HydrophobicContact CB-CH2 4.14Å; I147-W174 HydrophobicContact CB-CZ3 4.37Å; I147-W174 HydrophobicContact CG2-CH2 3.7Å; I147-W174 HydrophobicContact CG2-CZ3 3.82Å; I147-M210 HydrophobicContact CD1-CB 3.87Å; I147-M210 HydrophobicContact CD1-CG 3.95Å
148	Q	96.1	Very high	97.1	Very high	92 Å²	92	65.8 Å²	65.8	43%	0.43	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.9	-179.5	-177.7	171.6	4.9	0	0	109.2	E129 H130 D150	E129-Q148 PolarHBondContact OE2-NE2 3.23Å; H130-Q148 WeakPolarHBondContact O-CA 3.47Å; Q148-D150 PolarHBondContact O-N 3.43Å
149	E	92.2	Very high	96.9	Very high	109 Å²	109	67.9 Å²	67.9	51%	0.509	37%	0.372	S	S	.	.	S	Bend	trans	49.7	21.8	175.9	-59.8	-163.4	154.2	0	0	116.9	H130 R212	H130-E149 PolarHBondContact O-N 3.09Å; E149-R212 VanDerWaalsContact C-CZ 3.46Å; E149-R212 VanDerWaalsContact C-NH1 3.26Å; E149-R212 PolarHBondContact O-NH1 2.8Å; E149-R212 PolarHBondContact O-NH2 3.33Å
150	D	94.4	Very high	96.8	Very high	92 Å²	92	64.3 Å²	64.3	49%	0.492	35%	0.353	S	S	.	.			trans	-137.3	156.3	-178.9	-157.6	8.1	0	0	0	112.5	I147 Q148 W174	I147-D150 WeakPolarHBondContact CG2-O 3.5Å; Q148-D150 PolarHBondContact O-N 3.43Å; D150-W174 WeakPolarHBondContact O-CZ3 3.42Å
151	D	96.1	Very high	96.7	Very high	22 Å²	22	64.5 Å²	64.5	12%	0.118	36%	0.357	C	S	.	.			trans	-101.5	133.3	173.6	-59.9	-21.6	0	0	0	109.4	P153 R211 R212 R214	D151-P153 WeakPolarHBondContact O-CD 3.45Å; D151-R211 HydrophobicContact CB-CB 4.01Å; D151-R212 IonicContact OD1-CZ 2.93Å; D151-R212 PolarHBondContact OD1-N 2.94Å; D151-R212 IonicContact OD1-NE 2.81Å; D151-R212 PolarHBondContact OD1-NE 3.4Å; D151-R212 IonicContact OD1-NH2 2.81Å; D151-R214 IonicContact OD2-CZ 3.62Å; D151-R214 IonicContact OD2-NE 2.95Å; D151-R214 IonicContact OD2-NH2 3.74Å; D151-R214 PolarHBondContact OD2-NH2 2.79Å
152	V	97.8	Very high	96.6	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.018	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-113	100.1	-176	179.8	0	0	0	0	109.8	M145 I147 T154 L155 S209 M210	M145-V152 HydrophobicContact CE-CG1 4.15Å; M145-V152 HydrophobicContact CE-CG2 4.27Å; I147-V152 HydrophobicContact CD1-CB 4.18Å; I147-V152 HydrophobicContact CD1-CG2 3.75Å; I147-V152 HydrophobicContact CG1-CG2 4.03Å; I147-V152 HydrophobicContact CG2-CG2 3.74Å; V152-T154 VanDerWaalsContact CG1-O 3.25Å; V152-T154 WeakPolarHBondContact CG1-O 3.33Å; V152-T154 PolarHBondContact O-N 2.64Å; V152-L155 HydrophobicContact CB-CD2 4.46Å; V152-L155 HydrophobicContact CG1-CD2 3.88Å; V152-S209 WeakPolarHBondContact O-CA 3.23Å; V152-S209 VanDerWaalsContact O-CB 3.28Å; V152-S209 WeakPolarHBondContact O-CB 3.4Å; V152-M210 CarbonylContact C-O 3.49Å; V152-M210 WeakPolarHBondContact CA-O 3.34Å; V152-M210 PolarHBondContact N-O 2.9Å; V152-M210 PolarHBondContact O-N 2.98Å; V152-M210 VanDerWaalsContact O-O 3.12Å
153	P	97.5	Very high	96.6	Very high	64 Å²	64	62.6 Å²	62.6	42%	0.416	34%	0.335	S	S	.	.	S	Bend	trans	-71.8	-13.3	179.8	28.9	-35.2	0	0	0	113.1	D151 P180 G181 Y182 S209	D151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-P180 CarbonylContact O-C 3.6Å; P153-P180 WeakPolarHBondContact O-CA 3.3Å; P153-G181 PolarHBondContact O-N 2.88Å; P153-Y182 HydrophobicContact CB-CE1 4.38Å; P153-Y182 HydrophobicContact CB-CE2 4.32Å; P153-S209 VanDerWaalsContact O-CB 3.28Å; P153-S209 WeakPolarHBondContact O-CB 3.46Å
154	T	98.1	Very high	96.6	Very high	41 Å²	41	57.9 Å²	57.9	25%	0.252	31%	0.31	S	S	.	.			trans	-154.8	121.4	172.9	178	0	0	0	0	111	V152 W156 A157 Q208	V152-T154 VanDerWaalsContact CG1-O 3.25Å; V152-T154 WeakPolarHBondContact CG1-O 3.33Å; V152-T154 PolarHBondContact O-N 2.64Å; T154-W156 PolarHBondContact O-N 3.29Å; T154-W156 PolarHBondContact OG1-N 2.84Å; T154-A157 HydrophobicContact CG2-CB 3.71Å; T154-A157 PolarHBondContact O-N 3.33Å; T154-Q208 CarbonylContact C-O 3.59Å; T154-Q208 VanDerWaalsContact CA-O 3.29Å; T154-Q208 WeakPolarHBondContact CA-O 3.38Å
155	L	97.9	Very high	96.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-65.2	-27.2	176.9	-60.9	-172.2	0	0	0	111.9	L134 M145 I147 V152 A157 H158 F160 V164 I207 Q208 M210	L134-L155 HydrophobicContact CD1-CD1 3.88Å; L134-L155 HydrophobicContact CD1-CD2 3.9Å; M145-L155 HydrophobicContact CE-CD2 4.15Å; M145-L155 HydrophobicContact SD-CD2 3.99Å; I147-L155 HydrophobicContact CD1-CD2 4.26Å; V152-L155 HydrophobicContact CB-CD2 4.46Å; V152-L155 HydrophobicContact CG1-CD2 3.88Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.98Å; L155-H158 PolarHBondContact O-N 3.38Å; L155-H158 VanDerWaalsContact O-N 3.07Å; L155-F160 HydrophobicContact CB-CB 4.12Å; L155-F160 HydrophobicContact CB-CD1 4.44Å; L155-F160 HydrophobicContact CD1-CD1 3.95Å; L155-F160 PolarHBondContact O-N 2.94Å; L155-V164 HydrophobicContact CD1-CG2 4.11Å; L155-I207 HydrophobicContact CD1-CG2 4.35Å; L155-I207 WeakPolarHBondContact CD1-O 3.3Å; L155-Q208 PolarHBondContact N-O 3.35Å; L155-M210 HydrophobicContact CD2-CB 4.48Å
156	W	97.1	Very high	96.7	Very high	124 Å²	124	51.8 Å²	51.8	47%	0.47	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.8	-32.1	179	-61	103.5	0	0	0	113.4	T154 H158 G159 F160 D162	T154-W156 PolarHBondContact O-N 3.29Å; T154-W156 PolarHBondContact OG1-N 2.84Å; W156-H158 PolarHBondContact O-N 3.13Å; W156-H158 VanDerWaalsContact O-N 3.14Å; W156-G159 PolarHBondContact O-N 2.89Å; W156-G159 VanDerWaalsContact O-N 3.07Å; W156-F160 VanDerWaalsContact CE3-O 3.25Å; W156-D162 HydrophobicContact CZ2-CB 3.74Å
157	A	95.9	Very high	96.7	Very high	76 Å²	76	47.9 Å²	47.9	63%	0.628	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-64.9	-17	178	0	0	0	0	0	113	T154 L155	T154-A157 HydrophobicContact CG2-CB 3.71Å; T154-A157 PolarHBondContact O-N 3.33Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.98Å
158	H	94	Very high	96.8	Very high	116 Å²	116	52.3 Å²	52.3	54%	0.537	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-106.8	15.1	178.4	-59.4	-92.1	0	0	0	112.3	M145 L155 W156 F160	M145-H158 HydrophobicContact CE-CB 3.36Å; M145-H158 HydrophobicContact SD-CB 3.95Å; L155-H158 PolarHBondContact O-N 3.38Å; L155-H158 VanDerWaalsContact O-N 3.07Å; W156-H158 PolarHBondContact O-N 3.13Å; W156-H158 VanDerWaalsContact O-N 3.14Å; H158-F160 PolarHBondContact O-N 2.91Å
159	G	94.2	Very high	96.8	Very high	74 Å²	74	48.1 Å²	48.1	76%	0.763	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	13.5	178.5	0	0	0	0	0	114.6	W156	W156-G159 PolarHBondContact O-N 2.89Å; W156-G159 VanDerWaalsContact O-N 3.07Å
160	F	96.9	Very high	97	Very high	12 Å²	12	46.5 Å²	46.5	5%	0.053	26%	0.26	C	S	.	.			trans	-87.7	175.2	173.4	-150.5	-107.9	0	0	0	111	L134 E136 N143 M145 L155 W156 H158 V164	L134-F160 HydrophobicContact CB-CE1 4.3Å; L134-F160 HydrophobicContact CB-CZ 4.25Å; E136-F160 HydrophobicContact CB-CZ 4.38Å; N143-F160 HydrophobicContact CB-CE2 4.13Å; M145-F160 HydrophobicContact CB-CB 4.49Å; M145-F160 HydrophobicContact CB-CD2 3.51Å; M145-F160 HydrophobicContact CB-CE2 3.76Å; M145-F160 HydrophobicContact CB-CG 3.97Å; M145-F160 HydrophobicContact CB-CZ 4.41Å; M145-F160 HydrophobicContact SD-CB 3.71Å; M145-F160 HydrophobicContact SD-CD2 4.45Å; M145-F160 HydrophobicContact SD-CG 4.02Å; L155-F160 HydrophobicContact CB-CB 4.12Å; L155-F160 HydrophobicContact CB-CD1 4.44Å; L155-F160 HydrophobicContact CD1-CD1 3.95Å; L155-F160 PolarHBondContact O-N 2.94Å; W156-F160 VanDerWaalsContact CE3-O 3.25Å; H158-F160 PolarHBondContact O-N 2.91Å; F160-V164 HydrophobicContact CE1-CG2 3.98Å
161	T	95.3	Very high	97	Very high	37 Å²	37	42.1 Å²	42.1	23%	0.227	24%	0.237	C	C	.	.			trans	-106.2	-179.1	-179.8	71.5	0	0	0	0	111.2	R163	T161-R163 PolarHBondContact O-N 3.02Å; T161-R163 PolarHBondContact OG1-N 2.94Å; T161-R163 VanDerWaalsContact OG1-N 3.09Å
162	D	96.8	Very high	96.8	Very high	56 Å²	56	41.1 Å²	41.1	30%	0.299	23%	0.232	S	C	.	.	S	Bend	trans	-78.9	-2.8	168.6	66.7	-26.5	0	0	0	113.5	W156 Q206 I207 Q208	W156-D162 HydrophobicContact CZ2-CB 3.74Å; D162-Q206 HydrophobicContact CB-CG 4.41Å; D162-Q206 CarbonylContact O-C 3.53Å; D162-Q206 VanDerWaalsContact O-CA 3.25Å; D162-Q206 WeakPolarHBondContact O-CA 3.49Å; D162-Q206 PolarHBondContact OD2-NE2 3.01Å; D162-I207 CarbonylContact C-O 3.58Å; D162-I207 PolarHBondContact O-N 3.17Å; D162-Q208 HydrophobicContact CB-CG 3.34Å
163	R	98.4	Very high	96.7	Very high	80 Å²	80	41 Å²	41	30%	0.302	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-95.8	117.4	-177.6	-163.9	-166.4	-168.8	-58.7	-0.7	111.9	E136 T161 P205	E136-R163 HydrophobicContact CG-CB 4.4Å; E136-R163 PolarHBondContact O-NH1 2.83Å; T161-R163 PolarHBondContact O-N 3.02Å; T161-R163 PolarHBondContact OG1-N 2.94Å; T161-R163 VanDerWaalsContact OG1-N 3.09Å; R163-P205 CarbonylContact C-O 3.58Å; R163-P205 VanDerWaalsContact CA-O 3.23Å; R163-P205 WeakPolarHBondContact CA-O 3.25Å; R163-P205 HydrophobicContact CG-CB 4.22Å; R163-P205 HydrophobicContact CG-CG 4.11Å
164	V	98.7	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.			trans	-122.1	104.2	171.1	179.4	0	0	0	0	109.3	L134 L155 F160 V167 P205 I207	L134-V164 HydrophobicContact CB-CG1 4.36Å; L134-V164 HydrophobicContact CB-CG2 4.45Å; L134-V164 HydrophobicContact CD1-CG2 4.37Å; L134-V164 HydrophobicContact CD2-CG1 4.31Å; L155-V164 HydrophobicContact CD1-CG2 4.11Å; F160-V164 HydrophobicContact CE1-CG2 3.98Å; V164-V167 HydrophobicContact CG1-CG2 3.54Å; V164-P205 PolarHBondContact N-O 3.39Å; V164-P205 WeakPolarHBondContact O-CA 3.37Å; V164-P205 WeakPolarHBondContact O-CB 3.4Å; V164-I207 HydrophobicContact CB-CB 4.09Å; V164-I207 HydrophobicContact CB-CD1 4.13Å; V164-I207 HydrophobicContact CB-CG1 4.32Å; V164-I207 HydrophobicContact CG1-CD1 4.22Å; V164-I207 HydrophobicContact CG2-CB 3.77Å; V164-I207 HydrophobicContact CG2-CG2 4.33Å
165	G	98.6	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.			trans	-91.7	-24.9	-176.1	0	0	0	0	0	115	F135 E136 L137 H196 Y197	F135-G165 PolarHBondContact O-N 2.81Å; E136-G165 PolarHBondContact O-N 3.44Å; E136-G165 VanDerWaalsContact O-N 3.13Å; L137-G165 CarbonylContact O-C 3.54Å; G165-H196 CarbonylContact O-C 3.59Å; G165-H196 WeakPolarHBondContact O-CA 3.46Å; G165-Y197 PolarHBondContact O-N 3.01Å
166	S	98.8	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	158.6	175.1	57.1	0	0	0	0	111.2	F135 L137 F140 Y194 R195	F135-S166 WeakPolarHBondContact CB-OG 3.35Å; F135-S166 PolarHBondContact N-O 3.09Å; F135-S166 PolarHBondContact O-N 2.77Å; L137-S166 WeakPolarHBondContact O-CB 3.38Å; L137-S166 PolarHBondContact O-N 3.45Å; L137-S166 PolarHBondContact O-OG 2.92Å; F140-S166 VanDerWaalsContact CA-OG 3.27Å; F140-S166 WeakPolarHBondContact CA-OG 3.35Å; F140-S166 PolarHBondContact N-OG 3.5Å; S166-Y194 CarbonylContact C-O 3.54Å; S166-Y194 VanDerWaalsContact CA-O 3.27Å; S166-Y194 WeakPolarHBondContact CA-O 3.36Å; S166-Y194 WeakPolarHBondContact CB-O 3.23Å; S166-R195 WeakPolarHBondContact CB-O 3.38Å
167	V	98.8	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	141.1	-172.5	177.6	0	0	0	0	110	I132 C133 L134 F140 V164 V169 F189 Y194 F200	I132-V167 HydrophobicContact CD1-CG1 3.67Å; I132-V167 HydrophobicContact CG1-CG1 3.66Å; C133-V167 CarbonylContact O-C 3.55Å; C133-V167 WeakPolarHBondContact O-CA 3.14Å; L134-V167 HydrophobicContact CD2-CG1 4.13Å; L134-V167 HydrophobicContact CD2-CG2 3.89Å; F140-V167 WeakPolarHBondContact CE1-O 3.41Å; V164-V167 HydrophobicContact CG1-CG2 3.54Å; V167-V169 HydrophobicContact CG1-CG2 3.96Å; V167-F189 HydrophobicContact CB-CD1 4.18Å; V167-F189 HydrophobicContact CB-CE1 3.85Å; V167-F189 HydrophobicContact CG1-CD1 3.82Å; V167-F189 HydrophobicContact CG1-CE1 3.94Å; V167-F189 HydrophobicContact CG1-CG 4.5Å; V167-F189 HydrophobicContact CG2-CD1 4.37Å; V167-F189 HydrophobicContact CG2-CE1 3.63Å; V167-F189 HydrophobicContact CG2-CZ 3.99Å; V167-Y194 HydrophobicContact CB-CD2 4.29Å; V167-Y194 HydrophobicContact CG1-CD2 4.43Å; V167-Y194 PolarHBondContact N-O 2.8Å; V167-Y194 PolarHBondContact O-N 2.78Å; V167-F200 HydrophobicContact CG2-CE1 4.05Å
168	R	98.7	Very high	97	Very high	100 Å²	100	27.8 Å²	27.8	38%	0.377	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.8	163.5	-60	-169.4	-172.4	162.2	0.2	109.9	I132 C133 F135 F140 P170 D193	I132-R168 CarbonylContact C-O 3.54Å; I132-R168 WeakPolarHBondContact CA-O 3.27Å; C133-R168 HydrophobicContact CB-CB 4.28Å; C133-R168 PolarHBondContact N-O 2.87Å; C133-R168 PolarHBondContact O-N 3.38Å; F135-R168 HydrophobicContact CE2-CB 4.48Å; F135-R168 HydrophobicContact CE2-CG 4.02Å; F140-R168 HydrophobicContact CD1-CG 3.56Å; F140-R168 HydrophobicContact CE1-CG 3.34Å; F140-R168 HydrophobicContact CG-CG 4.35Å; F140-R168 VanDerWaalsContact CG-NE 3.3Å; F140-R168 VanDerWaalsContact CG-NH2 3.33Å; F140-R168 HydrophobicContact CZ-CG 3.94Å; R168-P170 VanDerWaalsContact O-CD 3.3Å; R168-P170 WeakPolarHBondContact O-CD 3.38Å; R168-D193 WeakPolarHBondContact CD-OD1 3.41Å; R168-D193 VanDerWaalsContact CG-OD1 3.23Å; R168-D193 WeakPolarHBondContact CG-OD1 3.28Å; R168-D193 IonicContact NE-OD1 3.83Å
169	V	97.9	Very high	97.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.024	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	90.9	176.8	-171.3	0	0	0	0	108.3	I132 V167 G171 G172 F189 C191 G192 Y194	I132-V169 HydrophobicContact CD1-CG2 4.11Å; I132-V169 HydrophobicContact CG1-CG2 4.12Å; V167-V169 HydrophobicContact CG1-CG2 3.96Å; V169-G171 PolarHBondContact O-N 2.84Å; V169-G172 WeakPolarHBondContact CG1-O 3.27Å; V169-F189 HydrophobicContact CG2-CB 3.9Å; V169-C191 WeakPolarHBondContact O-CA 3.36Å; V169-G192 PolarHBondContact N-O 2.94Å; V169-G192 PolarHBondContact O-N 2.91Å; V169-G192 VanDerWaalsContact O-N 3.09Å; V169-Y194 HydrophobicContact CG2-CD2 4.44Å; V169-Y194 HydrophobicContact CG2-CE2 3.92Å
170	P	96.2	Very high	97.4	Very high	75 Å²	75	24.9 Å²	24.9	49%	0.487	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-28.1	173	-27.4	35	0	0	0	114.4	K131 R168	K131-P170 HydrophobicContact CB-CB 4.36Å; K131-P170 HydrophobicContact CD-CB 4.34Å; K131-P170 HydrophobicContact CD-CG 4.21Å; K131-P170 HydrophobicContact CG-CB 4.4Å; K131-P170 HydrophobicContact CG-CG 4.12Å; K131-P170 VanDerWaalsContact O-CD 3.27Å; K131-P170 WeakPolarHBondContact O-CD 3.5Å; R168-P170 VanDerWaalsContact O-CD 3.3Å; R168-P170 WeakPolarHBondContact O-CD 3.38Å
171	G	93.6	Very high	97.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	150.3	-174.5	0	0	0	0	0	113.5	E129 K131 V169 W174 C191	E129-G171 CarbonylContact O-C 3.29Å; E129-G171 VanDerWaalsContact O-C 3.29Å; E129-G171 WeakPolarHBondContact O-CA 3.45Å; K131-G171 PolarHBondContact N-O 3.21Å; K131-G171 VanDerWaalsContact O-O 3.07Å; V169-G171 PolarHBondContact O-N 2.84Å; G171-W174 PolarHBondContact O-NE1 2.78Å; G171-C191 VanDerWaalsContact CA-SG 3.54Å
172	G	92.4	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	77.4	177.4	179.6	0	0	0	0	0	114.1	D126 V169	D126-G172 PolarHBondContact OD1-N 3.28Å; V169-G172 WeakPolarHBondContact CG1-O 3.27Å
173	V	95.8	Very high	97.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.147	C	C	.	.			trans	-118	133	-179.8	-170	0	0	0	0	109.9	I123 M125 L188 E190 V213	I123-V173 HydrophobicContact CG2-CG1 3.8Å; I123-V173 HydrophobicContact CG2-CG2 4.36Å; M125-V173 HydrophobicContact CE-CB 4.4Å; M125-V173 HydrophobicContact SD-CB 4.07Å; M125-V173 HydrophobicContact SD-CG2 3.83Å; V173-L188 HydrophobicContact CG1-CD1 3.56Å; V173-E190 HydrophobicContact CG1-CG 4.18Å; V173-V213 HydrophobicContact CB-CB 4.16Å; V173-V213 HydrophobicContact CB-CG2 4.18Å; V173-V213 HydrophobicContact CG1-CB 4.14Å; V173-V213 HydrophobicContact CG1-CG2 3.66Å; V173-V213 PolarHBondContact O-N 2.97Å
174	W	97.5	Very high	97.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	155.6	-171.8	-59.4	81.3	0	0	0	112.1	H130 I132 I147 D150 G171 F189 M210 R211 R212	H130-W174 VanDerWaalsContact C-CZ2 3.46Å; H130-W174 HydrophobicContact CB-CH2 4.28Å; H130-W174 HydrophobicContact CB-CZ2 3.63Å; I132-W174 HydrophobicContact CB-CD2 3.99Å; I132-W174 HydrophobicContact CB-CG 4.21Å; I132-W174 HydrophobicContact CB-CZ2 4.07Å; I132-W174 HydrophobicContact CD1-CB 3.97Å; I132-W174 HydrophobicContact CD1-CD2 4.34Å; I132-W174 HydrophobicContact CD1-CG 3.94Å; I132-W174 HydrophobicContact CG2-CD2 3.67Å; I132-W174 HydrophobicContact CG2-CE3 3.81Å; I132-W174 HydrophobicContact CG2-CG 4.32Å; I132-W174 HydrophobicContact CG2-CH2 3.78Å; I132-W174 HydrophobicContact CG2-CZ2 3.63Å; I132-W174 HydrophobicContact CG2-CZ3 3.87Å; I147-W174 HydrophobicContact CB-CH2 4.14Å; I147-W174 HydrophobicContact CB-CZ3 4.37Å; I147-W174 HydrophobicContact CG2-CH2 3.7Å; I147-W174 HydrophobicContact CG2-CZ3 3.82Å; D150-W174 WeakPolarHBondContact O-CZ3 3.42Å; G171-W174 PolarHBondContact O-NE1 2.78Å; W174-F189 HydrophobicContact CB-CB 4.02Å; W174-F189 PolarHBondContact N-O 3.09Å; W174-F189 PolarHBondContact O-N 2.82Å; W174-M210 HydrophobicContact CB-SD 3.87Å; W174-M210 HydrophobicContact CE3-CG 3.7Å; W174-M210 HydrophobicContact CE3-SD 4.28Å; W174-M210 HydrophobicContact CZ3-CG 4.19Å; W174-R211 CarbonylContact C-O 3.57Å; W174-R211 WeakPolarHBondContact CA-O 3.35Å; W174-R212 HydrophobicContact CD2-CG 4.22Å; W174-R212 HydrophobicContact CE3-CG 3.81Å; W174-R212 HydrophobicContact CH2-CG 3.78Å; W174-R212 HydrophobicContact CZ2-CG 4.19Å; W174-R212 HydrophobicContact CZ3-CG 3.58Å
175	V	98.1	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.3	171	-165.6	0	0	0	0	109.3	I96 Y177 Q186 Y187 M210 R211 V213	I96-V175 HydrophobicContact CB-CG2 4.3Å; I96-V175 HydrophobicContact CG1-CB 4.44Å; I96-V175 HydrophobicContact CG1-CG1 3.75Å; I96-V175 HydrophobicContact CG1-CG2 3.78Å; I96-V175 HydrophobicContact CG2-CG2 4.06Å; V175-Y177 HydrophobicContact CB-CE2 3.77Å; V175-Y177 HydrophobicContact CG1-CD2 4.25Å; V175-Y177 HydrophobicContact CG1-CE1 4.23Å; V175-Y177 HydrophobicContact CG1-CE2 3.58Å; V175-Q186 HydrophobicContact CG1-CB 4Å; V175-Y187 WeakPolarHBondContact CA-O 3.41Å; V175-M210 VanDerWaalsContact C-SD 3.5Å; V175-M210 WeakPolarHBondContact O-CA 3.37Å; V175-M210 VanDerWaalsContact O-SD 3.34Å; V175-R211 HydrophobicContact CB-CG 4.34Å; V175-R211 PolarHBondContact N-O 2.87Å; V175-R211 PolarHBondContact O-N 2.88Å; V175-V213 HydrophobicContact CG2-CG2 3.36Å
176	G	98.4	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.7	169.2	0	0	0	0	0	111.1	Q186 Y187	G176-Q186 CarbonylContact O-C 3.48Å; G176-Q186 WeakPolarHBondContact O-CA 3.38Å; G176-Y187 PolarHBondContact N-O 2.88Å; G176-Y187 PolarHBondContact O-N 3.48Å
177	Y	98.6	Very high	97.4	Very high	4 Å²	4	31 Å²	31	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.2	-179.6	-66.8	-92.5	0	0	0	111.5	N110 V175 Y179 Y182 Y185 Q186 I207 Q208 S209 R211	N110-Y177 WeakPolarHBondContact ND2-CE1 2.84Å; V175-Y177 HydrophobicContact CB-CE2 3.77Å; V175-Y177 HydrophobicContact CG1-CD2 4.25Å; V175-Y177 HydrophobicContact CG1-CE1 4.23Å; V175-Y177 HydrophobicContact CG1-CE2 3.58Å; Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 3.38Å; Y177-Y182 VanDerWaalsContact CD1-O 3.23Å; Y177-Y182 WeakPolarHBondContact CD1-O 3.39Å; Y177-Y182 AromaticContact CD2-CD1 3.89Å; Y177-Y182 HydrophobicContact CD2-CD1 3.89Å; Y177-Y182 HydrophobicContact CD2-CG 4.36Å; Y177-Y182 WeakPolarHBondContact CE1-O 3.36Å; Y177-Y182 HydrophobicContact CE2-CD1 4.01Å; Y177-Y182 HydrophobicContact CE2-CG 4.27Å; Y177-Y182 VanDerWaalsContact CG-CA 3.46Å; Y177-Y185 WeakPolarHBondContact CA-O 3.35Å; Y177-Q186 HydrophobicContact CD1-CG 3.95Å; Y177-Q186 HydrophobicContact CE1-CB 4.27Å; Y177-Q186 HydrophobicContact CE1-CG 3.57Å; Y177-Q186 PolarHBondContact OH-OE1 2.96Å; Y177-I207 CarbonylContact O-C 3.57Å; Y177-I207 WeakPolarHBondContact O-CA 3.27Å; Y177-Q208 PolarHBondContact O-N 3.05Å; Y177-S209 WeakPolarHBondContact CB-OG 3.46Å; Y177-S209 PolarHBondContact N-O 2.75Å; Y177-S209 PolarHBondContact O-N 3.35Å; Y177-R211 HydrophobicContact CE2-CG 3.94Å; Y177-R211 PolarHBondContact OH-NE 2.95Å; Y177-R211 PolarHBondContact OH-NH2 2.89Å
178	Q	98.4	Very high	97.4	Very high	23 Å²	23	31.6 Å²	31.6	11%	0.107	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	-37.1	-179.8	-173.1	-179.3	17.7	0	0	113.5	R183 Y185 Q206 Q208	Q178-R183 PolarHBondContact N-O 3.42Å; Q178-Y185 PolarHBondContact N-O 2.79Å; Q178-Y185 VanDerWaalsContact N-O 3.09Å; Q178-Y185 VanDerWaalsContact OE1-CD2 3.23Å; Q178-Q206 HydrophobicContact CG-CB 4.46Å; Q178-Q206 HydrophobicContact CG-CG 4.14Å; Q178-Q208 WeakPolarHBondContact O-CG 3.45Å; Q178-Q208 PolarHBondContact O-NE2 3.02Å
179	Y	98.4	Very high	97.3	Very high	95 Å²	95	26.8 Å²	26.8	37%	0.373	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	161.2	-175.5	-58.5	-57.4	0	0	0	112.6	Y177 R183 S209	Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 3.38Å; Y179-R183 PolarHBondContact N-O 3.21Å; Y179-S209 PolarHBondContact O-OG 3.19Å
180	P	98.1	Very high	97.2	Very high	35 Å²	35	28.9 Å²	28.9	23%	0.227	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	150.9	171.9	-22.3	34	0	0	0	112.2	P153 R183 Q208	P153-P180 CarbonylContact O-C 3.6Å; P153-P180 WeakPolarHBondContact O-CA 3.3Å; P180-R183 PolarHBondContact O-NE 3Å; P180-R183 PolarHBondContact O-NH2 2.99Å; P180-Q208 HydrophobicContact CG-CB 3.96Å
181	G	97.2	Very high	97.2	Very high	40 Å²	40	28.1 Å²	28.1	41%	0.412	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	30.7	179.7	0	0	0	0	0	113.4	P153	P153-G181 PolarHBondContact O-N 2.88Å
182	Y	97.4	Very high	97.4	Very high	48 Å²	48	29.5 Å²	29.5	19%	0.188	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	40.6	175.3	-38.8	-56.2	0	0	0	114.1	N110 P153 Y177 S209 R211	N110-Y182 PolarHBondContact ND2-O 2.98Å; P153-Y182 HydrophobicContact CB-CE1 4.38Å; P153-Y182 HydrophobicContact CB-CE2 4.32Å; Y177-Y182 VanDerWaalsContact CD1-O 3.23Å; Y177-Y182 WeakPolarHBondContact CD1-O 3.39Å; Y177-Y182 AromaticContact CD2-CD1 3.89Å; Y177-Y182 HydrophobicContact CD2-CD1 3.89Å; Y177-Y182 HydrophobicContact CD2-CG 4.36Å; Y177-Y182 WeakPolarHBondContact CE1-O 3.36Å; Y177-Y182 HydrophobicContact CE2-CD1 4.01Å; Y177-Y182 HydrophobicContact CE2-CG 4.27Å; Y177-Y182 VanDerWaalsContact CG-CA 3.46Å; Y182-S209 WeakPolarHBondContact CA-OG 3.37Å; Y182-S209 PolarHBondContact N-OG 3.31Å; Y182-R211 HydrophobicContact CD1-CB 4.2Å; Y182-R211 HydrophobicContact CD1-CG 4.45Å; Y182-R211 HydrophobicContact CE1-CB 3.8Å
183	R	97.5	Very high	97.7	Very high	145 Å²	145	33.8 Å²	33.8	55%	0.547	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	160.7	-175.9	-66.5	-179.7	-61.8	140.1	2.5	112.8	Q178 Y179 P180	Q178-R183 PolarHBondContact N-O 3.42Å; Y179-R183 PolarHBondContact N-O 3.21Å; P180-R183 PolarHBondContact O-NE 3Å; P180-R183 PolarHBondContact O-NH2 2.99Å
184	G	97.8	Very high	97.8	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-157.7	-179.6	0	0	0	0	0	112.5	N110	N110-G184 CarbonylContact C-O 3.57Å; N110-G184 WeakPolarHBondContact CB-O 3.33Å; N110-G184 WeakPolarHBondContact O-CA 3.46Å; N110-G184 PolarHBondContact O-N 3.34Å
185	Y	98.2	Very high	97.8	Very high	59 Å²	59	41.7 Å²	41.7	23%	0.231	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	143.7	176.6	-66.7	-60.8	0	0	0	111.8	E93 R113 Y177 Q178 Y187	E93-Y185 HydrophobicContact CB-CD1 4.46Å; E93-Y185 HydrophobicContact CB-CE1 4.47Å; E93-Y185 HydrophobicContact CG-CD1 3.89Å; E93-Y185 HydrophobicContact CG-CE1 4.25Å; E93-Y185 WeakPolarHBondContact OE1-CD1 3.29Å; R113-Y185 HydrophobicContact CB-CE1 4.2Å; R113-Y185 HydrophobicContact CG-CE1 3.97Å; Y177-Y185 WeakPolarHBondContact CA-O 3.35Å; Q178-Y185 PolarHBondContact N-O 2.79Å; Q178-Y185 VanDerWaalsContact N-O 3.09Å; Q178-Y185 VanDerWaalsContact OE1-CD2 3.23Å; Y185-Y187 WeakPolarHBondContact CB-OH 3.39Å
186	Q	98.3	Very high	97.9	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.9	178.2	-45.1	-173.2	57.4	0	0	109.3	I96 W108 V175 G176 Y177	I96-Q186 HydrophobicContact CG1-CB 4.46Å; W108-Q186 PolarHBondContact O-NE2 2.74Å; V175-Q186 HydrophobicContact CG1-CB 4Å; G176-Q186 CarbonylContact O-C 3.48Å; G176-Q186 WeakPolarHBondContact O-CA 3.38Å; Y177-Q186 HydrophobicContact CD1-CG 3.95Å; Y177-Q186 HydrophobicContact CE1-CB 4.27Å; Y177-Q186 HydrophobicContact CE1-CG 3.57Å; Y177-Q186 PolarHBondContact OH-OE1 2.96Å
187	Y	98.4	Very high	97.8	Very high	14 Å²	14	47 Å²	47	6%	0.055	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.7	178	-51.8	-69.1	0	0	0	109.4	V175 G176 Y185 F189 F200 A202 I207	V175-Y187 WeakPolarHBondContact CA-O 3.41Å; G176-Y187 PolarHBondContact N-O 2.88Å; G176-Y187 PolarHBondContact O-N 3.48Å; Y185-Y187 WeakPolarHBondContact CB-OH 3.39Å; Y187-F189 WeakPolarHBondContact O-CD2 3.28Å; Y187-F200 HydrophobicContact CD1-CD2 4.41Å; Y187-F200 WeakPolarHBondContact CD1-O 3.35Å; Y187-F200 HydrophobicContact CG-CD2 4.3Å; Y187-A202 HydrophobicContact CD1-CB 3.99Å; Y187-A202 VanDerWaalsContact CE1-CA 3.48Å; Y187-A202 HydrophobicContact CE1-CB 3.5Å; Y187-A202 HydrophobicContact CE2-CB 4.34Å; Y187-I207 HydrophobicContact CD2-CD1 4.07Å; Y187-I207 HydrophobicContact CD2-CG1 4.02Å; Y187-I207 HydrophobicContact CE2-CG1 4.17Å
188	L	98.1	Very high	97.7	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.2	177.8	-178.4	63.9	0	0	0	110.4	V83 M94 I96 I123 V173 E190 V213	V83-L188 HydrophobicContact CB-CD2 4.06Å; V83-L188 HydrophobicContact CG1-CD2 3.86Å; V83-L188 HydrophobicContact CG2-CD2 4.35Å; M94-L188 HydrophobicContact SD-CB 3.94Å; I96-L188 HydrophobicContact CD1-CB 4.1Å; I96-L188 HydrophobicContact CD1-CD1 4.1Å; I123-L188 HydrophobicContact CD1-CD1 3.99Å; I123-L188 HydrophobicContact CD1-CD2 4.25Å; I123-L188 HydrophobicContact CG1-CD2 4.14Å; I123-L188 HydrophobicContact CG2-CD1 4.46Å; V173-L188 HydrophobicContact CG1-CD1 3.56Å; L188-E190 HydrophobicContact CD2-CG 4.18Å; L188-E190 HydrophobicContact CG-CG 4.2Å; L188-V213 HydrophobicContact CD1-CG2 4.37Å
189	F	97.9	Very high	97.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	101.3	175.5	-69.4	-76.4	0	0	0	109.2	I132 V167 V169 W174 Y187 Y194 F200 I207 M210	I132-F189 HydrophobicContact CD1-CB 4.29Å; I132-F189 HydrophobicContact CD1-CG 4.32Å; V167-F189 HydrophobicContact CB-CD1 4.18Å; V167-F189 HydrophobicContact CB-CE1 3.85Å; V167-F189 HydrophobicContact CG1-CD1 3.82Å; V167-F189 HydrophobicContact CG1-CE1 3.94Å; V167-F189 HydrophobicContact CG1-CG 4.5Å; V167-F189 HydrophobicContact CG2-CD1 4.37Å; V167-F189 HydrophobicContact CG2-CE1 3.63Å; V167-F189 HydrophobicContact CG2-CZ 3.99Å; V169-F189 HydrophobicContact CG2-CB 3.9Å; W174-F189 HydrophobicContact CB-CB 4.02Å; W174-F189 PolarHBondContact N-O 3.09Å; W174-F189 PolarHBondContact O-N 2.82Å; Y187-F189 WeakPolarHBondContact O-CD2 3.28Å; F189-Y194 HydrophobicContact CD1-CD2 4.11Å; F189-Y194 HydrophobicContact CD1-CE2 4.04Å; F189-Y194 HydrophobicContact CD1-CG 4.42Å; F189-F200 HydrophobicContact CD1-CB 4.26Å; F189-F200 HydrophobicContact CE1-CB 3.55Å; F189-F200 AromaticContact CE1-CD1 3.43Å; F189-F200 HydrophobicContact CE1-CD1 3.43Å; F189-F200 VanDerWaalsContact CE1-CD1 3.43Å; F189-F200 HydrophobicContact CE1-CD2 4.14Å; F189-F200 AromaticContact CE1-CE1 4Å; F189-F200 HydrophobicContact CE1-CE1 4Å; F189-F200 AromaticContact CE1-CG 3.47Å; F189-F200 HydrophobicContact CE1-CG 3.47Å; F189-F200 VanDerWaalsContact CE1-CG 3.47Å; F189-F200 HydrophobicContact CZ-CB 3.91Å; F189-F200 AromaticContact CZ-CD1 3.86Å; F189-F200 HydrophobicContact CZ-CD1 3.86Å; F189-F200 AromaticContact CZ-CD2 3.78Å; F189-F200 HydrophobicContact CZ-CD2 3.78Å; F189-F200 HydrophobicContact CZ-CE1 4.17Å; F189-F200 HydrophobicContact CZ-CE2 4.15Å; F189-F200 AromaticContact CZ-CG 3.61Å; F189-F200 HydrophobicContact CZ-CG 3.61Å; F189-F200 HydrophobicContact CZ-CZ 4.31Å; F189-I207 HydrophobicContact CE2-CD1 3.96Å; F189-I207 HydrophobicContact CZ-CD1 3.78Å; F189-M210 HydrophobicContact CD2-CE 4.18Å; F189-M210 HydrophobicContact CD2-SD 4.37Å; F189-M210 HydrophobicContact CE2-CE 4.01Å
190	E	96	Very high	97.5	Very high	47 Å²	47	50.4 Å²	50.4	22%	0.22	25%	0.251	C	S	.	.			trans	-90.5	165.3	168.6	-68.7	170.4	138	0	0	109.7	R121 V173 L188 G192 Y194	R121-E190 IonicContact CZ-OE1 3.79Å; R121-E190 IonicContact CZ-OE2 3.64Å; R121-E190 IonicContact NH1-OE1 2.94Å; R121-E190 PolarHBondContact NH1-OE1 3.06Å; R121-E190 IonicContact NH1-OE2 3.88Å; R121-E190 IonicContact NH2-OE1 2.99Å; R121-E190 PolarHBondContact NH2-OE1 3.01Å; R121-E190 IonicContact NH2-OE2 3.72Å; R121-E190 PolarHBondContact NH2-OE2 3.06Å; V173-E190 HydrophobicContact CG1-CG 4.18Å; L188-E190 HydrophobicContact CD2-CG 4.18Å; L188-E190 HydrophobicContact CG-CG 4.2Å; E190-G192 PolarHBondContact O-N 3.41Å; E190-Y194 PolarHBondContact N-OH 3.21Å; E190-Y194 VanDerWaalsContact N-OH 3.08Å; E190-Y194 WeakPolarHBondContact O-CE2 3.34Å; E190-Y194 PolarHBondContact O-OH 2.88Å
191	C	95.7	Very high	97.3	Very high	59 Å²	59	52.4 Å²	52.4	40%	0.399	27%	0.265	S	S	.	.	S	Bend	trans	-46.8	123.6	177.6	-79.4	0	0	0	0	112.5	D126 V169 G171	D126-C191 PolarHBondContact OD2-SG 3.1Å; V169-C191 WeakPolarHBondContact O-CA 3.36Å; G171-C191 VanDerWaalsContact CA-SG 3.54Å
192	G	96.6	Very high	97.2	Very high	30 Å²	30	50.7 Å²	50.7	31%	0.309	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.9	179.5	-176.5	0	0	0	0	0	115	V169 E190	V169-G192 PolarHBondContact N-O 2.94Å; V169-G192 PolarHBondContact O-N 2.91Å; V169-G192 VanDerWaalsContact O-N 3.09Å; E190-G192 PolarHBondContact O-N 3.41Å
193	D	98.5	Very high	97	Very high	90 Å²	90	56.5 Å²	56.5	48%	0.481	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.7	-178.9	-87.4	1	0	0	0	109.1	F140 R168	F140-D193 HydrophobicContact CZ-CB 3.87Å; R168-D193 WeakPolarHBondContact CD-OD1 3.41Å; R168-D193 VanDerWaalsContact CG-OD1 3.23Å; R168-D193 WeakPolarHBondContact CG-OD1 3.28Å; R168-D193 IonicContact NE-OD1 3.83Å
194	Y	98.6	Very high	97	Very high	33 Å²	33	54.7 Å²	54.7	13%	0.129	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	101	179	-55.1	-100.4	0	0	0	108.8	S166 V167 V169 F189 E190 E199 F200	S166-Y194 CarbonylContact C-O 3.54Å; S166-Y194 VanDerWaalsContact CA-O 3.27Å; S166-Y194 WeakPolarHBondContact CA-O 3.36Å; S166-Y194 WeakPolarHBondContact CB-O 3.23Å; V167-Y194 HydrophobicContact CB-CD2 4.29Å; V167-Y194 HydrophobicContact CG1-CD2 4.43Å; V167-Y194 PolarHBondContact N-O 2.8Å; V167-Y194 PolarHBondContact O-N 2.78Å; V169-Y194 HydrophobicContact CG2-CD2 4.44Å; V169-Y194 HydrophobicContact CG2-CE2 3.92Å; F189-Y194 HydrophobicContact CD1-CD2 4.11Å; F189-Y194 HydrophobicContact CD1-CE2 4.04Å; F189-Y194 HydrophobicContact CD1-CG 4.42Å; E190-Y194 PolarHBondContact N-OH 3.21Å; E190-Y194 VanDerWaalsContact N-OH 3.08Å; E190-Y194 WeakPolarHBondContact O-CE2 3.34Å; E190-Y194 PolarHBondContact O-OH 2.88Å; Y194-E199 WeakPolarHBondContact CA-OE2 3.36Å; Y194-E199 HydrophobicContact CD1-CB 4.09Å; Y194-F200 HydrophobicContact CD1-CB 4.08Å; Y194-F200 HydrophobicContact CD1-CD1 4.37Å; Y194-F200 HydrophobicContact CE1-CB 4.44Å; Y194-F200 HydrophobicContact CG-CD1 4.37Å
195	R	98.6	Very high	97	Very high	135 Å²	135	55.7 Å²	55.7	51%	0.509	28%	0.277	S	S	.	.			trans	-80.5	-20	-170.9	-63.3	-178.3	179.6	-175.3	1	113.5	S138 D139 F140 S166 E199	S138-R195 CarbonylContact C-O 3.57Å; S138-R195 WeakPolarHBondContact CA-O 3.25Å; S138-R195 WeakPolarHBondContact CB-O 3.43Å; D139-R195 PolarHBondContact N-O 2.89Å; F140-R195 HydrophobicContact CE1-CG 4.43Å; F140-R195 HydrophobicContact CE2-CG 3.7Å; F140-R195 HydrophobicContact CZ-CB 4.44Å; F140-R195 HydrophobicContact CZ-CG 3.54Å; S166-R195 WeakPolarHBondContact CB-O 3.38Å; R195-E199 WeakPolarHBondContact CA-OE1 3.48Å; R195-E199 WeakPolarHBondContact CB-OE1 3.49Å; R195-E199 VanDerWaalsContact N-CD 3.29Å; R195-E199 PolarHBondContact N-OE1 2.91Å; R195-E199 PolarHBondContact N-OE2 2.74Å
196	H	98.5	Very high	97	Very high	56 Å²	56	54.7 Å²	54.7	26%	0.259	27%	0.274	S	S	.	.	S	Bend	trans	-142.8	152.6	179.8	-170.2	-91.6	0	0	0	111.4	S138 G165 N198 E199	S138-H196 PolarHBondContact OG-CD2 2.88Å; S138-H196 VanDerWaalsContact OG-CD2 3.27Å; G165-H196 CarbonylContact O-C 3.59Å; G165-H196 WeakPolarHBondContact O-CA 3.46Å; H196-N198 PolarHBondContact CE1-ND2 3.29Å; H196-N198 VanDerWaalsContact ND1-CG 3.34Å; H196-N198 PolarHBondContact ND1-N 2.86Å; H196-N198 PolarHBondContact ND1-ND2 3.07Å; H196-N198 PolarHBondContact O-N 2.77Å; H196-N198 VanDerWaalsContact O-N 3.12Å; H196-E199 PolarHBondContact N-OE1 3.27Å; H196-E199 WeakPolarHBondContact O-CB 3.44Å; H196-E199 PolarHBondContact O-N 2.93Å
197	Y	97.3	Very high	97	Very high	54 Å²	54	54.4 Å²	54.4	21%	0.212	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.3	-23.1	-176.3	63.2	-96	0	0	0	115	G165 E199 F200 A202 P205	G165-Y197 PolarHBondContact O-N 3.01Å; Y197-E199 PolarHBondContact O-N 2.75Å; Y197-F200 VanDerWaalsContact CA-CE1 3.44Å; Y197-F200 VanDerWaalsContact CB-CZ 3.43Å; Y197-F200 WeakPolarHBondContact O-CD2 3.44Å; Y197-F200 PolarHBondContact O-N 2.92Å; Y197-A202 WeakPolarHBondContact CD2-O 3.35Å; Y197-A202 PolarHBondContact O-N 3.47Å; Y197-A202 VanDerWaalsContact O-N 3.13Å; Y197-P205 HydrophobicContact CD1-CB 3.71Å; Y197-P205 HydrophobicContact CD1-CG 4.09Å; Y197-P205 HydrophobicContact CE1-CB 4.4Å; Y197-P205 HydrophobicContact CE1-CG 4.3Å; Y197-P205 HydrophobicContact CG-CB 3.94Å
198	N	96.6	Very high	97	Very high	99 Å²	99	54.8 Å²	54.8	53%	0.529	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.8	-26.8	172	-66.5	-10.5	0	0	0	113	H196 F200 C201	H196-N198 PolarHBondContact CE1-ND2 3.29Å; H196-N198 VanDerWaalsContact ND1-CG 3.34Å; H196-N198 PolarHBondContact ND1-N 2.86Å; H196-N198 PolarHBondContact ND1-ND2 3.07Å; H196-N198 PolarHBondContact O-N 2.77Å; H196-N198 VanDerWaalsContact O-N 3.12Å; N198-F200 VanDerWaalsContact C-N 3.28Å; N198-F200 PolarHBondContact O-N 3.09Å; N198-C201 PolarHBondContact O-N 3.36Å; N198-C201 VanDerWaalsContact O-N 3.1Å
199	E	97.5	Very high	97	Very high	93 Å²	93	54.2 Å²	54.2	44%	0.435	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-72.5	-22.7	-177.9	-67.2	172.2	-128.5	0	0	112.6	Y194 R195 H196 Y197	Y194-E199 WeakPolarHBondContact CA-OE2 3.36Å; Y194-E199 HydrophobicContact CD1-CB 4.09Å; R195-E199 WeakPolarHBondContact CA-OE1 3.48Å; R195-E199 WeakPolarHBondContact CB-OE1 3.49Å; R195-E199 VanDerWaalsContact N-CD 3.29Å; R195-E199 PolarHBondContact N-OE1 2.91Å; R195-E199 PolarHBondContact N-OE2 2.74Å; H196-E199 PolarHBondContact N-OE1 3.27Å; H196-E199 WeakPolarHBondContact O-CB 3.44Å; H196-E199 PolarHBondContact O-N 2.93Å; Y197-E199 PolarHBondContact O-N 2.75Å
200	F	95	Very high	97.1	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.013	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-104	24	169.5	52.5	-101.8	0	0	0	112.2	V167 Y187 F189 Y194 Y197 N198 A202 I207	V167-F200 HydrophobicContact CG2-CE1 4.05Å; Y187-F200 HydrophobicContact CD1-CD2 4.41Å; Y187-F200 WeakPolarHBondContact CD1-O 3.35Å; Y187-F200 HydrophobicContact CG-CD2 4.3Å; F189-F200 HydrophobicContact CD1-CB 4.26Å; F189-F200 HydrophobicContact CE1-CB 3.55Å; F189-F200 AromaticContact CE1-CD1 3.43Å; F189-F200 HydrophobicContact CE1-CD1 3.43Å; F189-F200 VanDerWaalsContact CE1-CD1 3.43Å; F189-F200 HydrophobicContact CE1-CD2 4.14Å; F189-F200 AromaticContact CE1-CE1 4Å; F189-F200 HydrophobicContact CE1-CE1 4Å; F189-F200 AromaticContact CE1-CG 3.47Å; F189-F200 HydrophobicContact CE1-CG 3.47Å; F189-F200 VanDerWaalsContact CE1-CG 3.47Å; F189-F200 HydrophobicContact CZ-CB 3.91Å; F189-F200 AromaticContact CZ-CD1 3.86Å; F189-F200 HydrophobicContact CZ-CD1 3.86Å; F189-F200 AromaticContact CZ-CD2 3.78Å; F189-F200 HydrophobicContact CZ-CD2 3.78Å; F189-F200 HydrophobicContact CZ-CE1 4.17Å; F189-F200 HydrophobicContact CZ-CE2 4.15Å; F189-F200 AromaticContact CZ-CG 3.61Å; F189-F200 HydrophobicContact CZ-CG 3.61Å; F189-F200 HydrophobicContact CZ-CZ 4.31Å; Y194-F200 HydrophobicContact CD1-CB 4.08Å; Y194-F200 HydrophobicContact CD1-CD1 4.37Å; Y194-F200 HydrophobicContact CE1-CB 4.44Å; Y194-F200 HydrophobicContact CG-CD1 4.37Å; Y197-F200 VanDerWaalsContact CA-CE1 3.44Å; Y197-F200 VanDerWaalsContact CB-CZ 3.43Å; Y197-F200 WeakPolarHBondContact O-CD2 3.44Å; Y197-F200 PolarHBondContact O-N 2.92Å; N198-F200 VanDerWaalsContact C-N 3.28Å; N198-F200 PolarHBondContact O-N 3.09Å; F200-A202 HydrophobicContact CD2-CB 3.58Å; F200-A202 HydrophobicContact CE2-CB 3.4Å; F200-A202 VanDerWaalsContact CE2-CB 3.4Å; F200-A202 PolarHBondContact O-N 3.33Å; F200-A202 VanDerWaalsContact O-N 3.12Å; F200-I207 HydrophobicContact CE2-CD1 3.96Å; F200-I207 HydrophobicContact CZ-CD1 4.25Å
201	C	94.4	Very high	97.1	Very high	77 Å²	77	52.9 Å²	52.9	52%	0.52	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	19.5	174.9	-56.6	0	0	0	0	115.5	M94 N198	M94-C201 HydrophobicContact CE-CB 3.63Å; N198-C201 PolarHBondContact O-N 3.36Å; N198-C201 VanDerWaalsContact O-N 3.1Å
202	A	95.2	Very high	97.1	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	26%	0.255	C	S	.	.			trans	-76.7	141.7	174.9	0	0	0	0	0	111.4	Y187 Y197 F200 Q204	Y187-A202 HydrophobicContact CD1-CB 3.99Å; Y187-A202 VanDerWaalsContact CE1-CA 3.48Å; Y187-A202 HydrophobicContact CE1-CB 3.5Å; Y187-A202 HydrophobicContact CE2-CB 4.34Å; Y197-A202 WeakPolarHBondContact CD2-O 3.35Å; Y197-A202 PolarHBondContact O-N 3.47Å; Y197-A202 VanDerWaalsContact O-N 3.13Å; F200-A202 HydrophobicContact CD2-CB 3.58Å; F200-A202 HydrophobicContact CE2-CB 3.4Å; F200-A202 VanDerWaalsContact CE2-CB 3.4Å; F200-A202 PolarHBondContact O-N 3.33Å; F200-A202 VanDerWaalsContact O-N 3.12Å; A202-Q204 WeakPolarHBondContact CB-O 3.41Å
203	F	92.9	Very high	96.9	Very high	171 Å²	171	51 Å²	51	75%	0.75	24%	0.24	S	C	*	.	S	Bend	trans	-78.5	-30.4	173.7	-177.8	-108.3	0	0	0	112.3
204	Q	96.5	Very high	95.8	Very high	106 Å²	106	49.1 Å²	49.1	50%	0.495	23%	0.227	S	C	.	.	S	Bend	trans	-137.4	151.7	176.6	-71.3	175.1	7.4	0	0	108.4	A202 Q206	A202-Q204 WeakPolarHBondContact CB-O 3.41Å; Q204-Q206 PolarHBondContact O-N 3.46Å
205	P	97.8	Very high	94.1	Very high	24 Å²	24	48.3 Å²	48.3	16%	0.156	22%	0.224	C	C	.	.	S	Bend	trans	-74.6	43.6	-179.9	33	-37.1	0	0	0	112.1	R163 V164 Y197	R163-P205 CarbonylContact C-O 3.58Å; R163-P205 VanDerWaalsContact CA-O 3.23Å; R163-P205 WeakPolarHBondContact CA-O 3.25Å; R163-P205 HydrophobicContact CG-CB 4.22Å; R163-P205 HydrophobicContact CG-CG 4.11Å; V164-P205 PolarHBondContact N-O 3.39Å; V164-P205 WeakPolarHBondContact O-CA 3.37Å; V164-P205 WeakPolarHBondContact O-CB 3.4Å; Y197-P205 HydrophobicContact CD1-CB 3.71Å; Y197-P205 HydrophobicContact CD1-CG 4.09Å; Y197-P205 HydrophobicContact CE1-CB 4.4Å; Y197-P205 HydrophobicContact CE1-CG 4.3Å; Y197-P205 HydrophobicContact CG-CB 3.94Å
206	Q	98.4	Very high	91.9	Very high	38 Å²	38	46 Å²	46	18%	0.178	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-102.7	109.7	-175.5	-170.5	178.3	42.2	0	0	111.1	D162 Q178 Q204	D162-Q206 HydrophobicContact CB-CG 4.41Å; D162-Q206 CarbonylContact O-C 3.53Å; D162-Q206 VanDerWaalsContact O-CA 3.25Å; D162-Q206 WeakPolarHBondContact O-CA 3.49Å; D162-Q206 PolarHBondContact OD2-NE2 3.01Å; Q178-Q206 HydrophobicContact CG-CB 4.46Å; Q178-Q206 HydrophobicContact CG-CG 4.14Å; Q204-Q206 PolarHBondContact O-N 3.46Å
207	I	98.6	Very high	89.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.			trans	-139.9	131.3	174.6	-62.6	179.3	0	0	0	108	L155 D162 V164 Y177 Y187 F189 F200 M210	L155-I207 HydrophobicContact CD1-CG2 4.35Å; L155-I207 WeakPolarHBondContact CD1-O 3.3Å; D162-I207 CarbonylContact C-O 3.58Å; D162-I207 PolarHBondContact O-N 3.17Å; V164-I207 HydrophobicContact CB-CB 4.09Å; V164-I207 HydrophobicContact CB-CD1 4.13Å; V164-I207 HydrophobicContact CB-CG1 4.32Å; V164-I207 HydrophobicContact CG1-CD1 4.22Å; V164-I207 HydrophobicContact CG2-CB 3.77Å; V164-I207 HydrophobicContact CG2-CG2 4.33Å; Y177-I207 CarbonylContact O-C 3.57Å; Y177-I207 WeakPolarHBondContact O-CA 3.27Å; Y187-I207 HydrophobicContact CD2-CD1 4.07Å; Y187-I207 HydrophobicContact CD2-CG1 4.02Å; Y187-I207 HydrophobicContact CE2-CG1 4.17Å; F189-I207 HydrophobicContact CE2-CD1 3.96Å; F189-I207 HydrophobicContact CZ-CD1 3.78Å; F200-I207 HydrophobicContact CE2-CD1 3.96Å; F200-I207 HydrophobicContact CZ-CD1 4.25Å; I207-M210 HydrophobicContact CG2-CE 4.16Å
208	Q	98.7	Very high	87	Confident	21 Å²	21	53.4 Å²	53.4	10%	0.098	26%	0.255	C	S	.	.			trans	-130.9	-8.7	-175.3	-70.5	-176.6	76.2	0	0	114.2	T154 L155 D162 Y177 Q178 P180	T154-Q208 CarbonylContact C-O 3.59Å; T154-Q208 VanDerWaalsContact CA-O 3.29Å; T154-Q208 WeakPolarHBondContact CA-O 3.38Å; L155-Q208 PolarHBondContact N-O 3.35Å; D162-Q208 HydrophobicContact CB-CG 3.34Å; Y177-Q208 PolarHBondContact O-N 3.05Å; Q178-Q208 WeakPolarHBondContact O-CG 3.45Å; Q178-Q208 PolarHBondContact O-NE2 3.02Å; P180-Q208 HydrophobicContact CG-CB 3.96Å
209	S	98.7	Very high	84.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.6	167.5	58.4	0	0	0	0	111.1	V152 P153 Y177 Y179 Y182	V152-S209 WeakPolarHBondContact O-CA 3.23Å; V152-S209 VanDerWaalsContact O-CB 3.28Å; V152-S209 WeakPolarHBondContact O-CB 3.4Å; P153-S209 VanDerWaalsContact O-CB 3.28Å; P153-S209 WeakPolarHBondContact O-CB 3.46Å; Y177-S209 WeakPolarHBondContact CB-OG 3.46Å; Y177-S209 PolarHBondContact N-O 2.75Å; Y177-S209 PolarHBondContact O-N 3.35Å; Y179-S209 PolarHBondContact O-OG 3.19Å; Y182-S209 WeakPolarHBondContact CA-OG 3.37Å; Y182-S209 PolarHBondContact N-OG 3.31Å
210	M	98.3	Very high	81.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.1	-173.5	-174.4	63.6	63.3	0	0	108.4	I132 L134 I147 V152 L155 W174 V175 F189 I207	I132-M210 HydrophobicContact CD1-CE 3.98Å; I132-M210 HydrophobicContact CD1-SD 3.93Å; I132-M210 HydrophobicContact CG2-CG 4.38Å; L134-M210 HydrophobicContact CD1-CE 4.4Å; L134-M210 HydrophobicContact CD2-CE 3.88Å; I147-M210 HydrophobicContact CD1-CB 3.87Å; I147-M210 HydrophobicContact CD1-CG 3.95Å; V152-M210 CarbonylContact C-O 3.49Å; V152-M210 WeakPolarHBondContact CA-O 3.34Å; V152-M210 PolarHBondContact N-O 2.9Å; V152-M210 PolarHBondContact O-N 2.98Å; V152-M210 VanDerWaalsContact O-O 3.12Å; L155-M210 HydrophobicContact CD2-CB 4.48Å; W174-M210 HydrophobicContact CB-SD 3.87Å; W174-M210 HydrophobicContact CE3-CG 3.7Å; W174-M210 HydrophobicContact CE3-SD 4.28Å; W174-M210 HydrophobicContact CZ3-CG 4.19Å; V175-M210 VanDerWaalsContact C-SD 3.5Å; V175-M210 WeakPolarHBondContact O-CA 3.37Å; V175-M210 VanDerWaalsContact O-SD 3.34Å; F189-M210 HydrophobicContact CD2-CE 4.18Å; F189-M210 HydrophobicContact CD2-SD 4.37Å; F189-M210 HydrophobicContact CE2-CE 4.01Å; I207-M210 HydrophobicContact CG2-CE 4.16Å
211	R	97.1	Very high	78.8	Confident	18 Å²	18	66.4 Å²	66.4	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.2	172.3	74.3	-175.9	-175.7	87.3	-15.8	110.7	E98 D151 W174 V175 Y177 Y182	E98-R211 IonicContact OE1-CZ 2.74Å; E98-R211 IonicContact OE1-NH1 3.66Å; E98-R211 PolarHBondContact OE1-NH1 3.1Å; E98-R211 IonicContact OE1-NH2 4Å; E98-R211 PolarHBondContact OE1-NH2 3.19Å; E98-R211 IonicContact OE2-CZ 2.74Å; E98-R211 IonicContact OE2-NH1 3.58Å; E98-R211 PolarHBondContact OE2-NH1 2.91Å; E98-R211 IonicContact OE2-NH2 3.49Å; E98-R211 PolarHBondContact OE2-NH2 3.14Å; D151-R211 HydrophobicContact CB-CB 4.01Å; W174-R211 CarbonylContact C-O 3.57Å; W174-R211 WeakPolarHBondContact CA-O 3.35Å; V175-R211 HydrophobicContact CB-CG 4.34Å; V175-R211 PolarHBondContact N-O 2.87Å; V175-R211 PolarHBondContact O-N 2.88Å; Y177-R211 HydrophobicContact CE2-CG 3.94Å; Y177-R211 PolarHBondContact OH-NE 2.95Å; Y177-R211 PolarHBondContact OH-NH2 2.89Å; Y182-R211 HydrophobicContact CD1-CB 4.2Å; Y182-R211 HydrophobicContact CD1-CG 4.45Å; Y182-R211 HydrophobicContact CE1-CB 3.8Å
212	R	95.2	Very high	76.2	Confident	48 Å²	48	64.8 Å²	64.8	18%	0.181	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.8	169	-59.7	167.3	-70.4	-176.6	-13.2	110.1	H130 E149 D151 W174	H130-R212 HydrophobicContact CB-CG 3.97Å; E149-R212 VanDerWaalsContact C-CZ 3.46Å; E149-R212 VanDerWaalsContact C-NH1 3.26Å; E149-R212 PolarHBondContact O-NH1 2.8Å; E149-R212 PolarHBondContact O-NH2 3.33Å; D151-R212 IonicContact OD1-CZ 2.93Å; D151-R212 PolarHBondContact OD1-N 2.94Å; D151-R212 IonicContact OD1-NE 2.81Å; D151-R212 PolarHBondContact OD1-NE 3.4Å; D151-R212 IonicContact OD1-NH2 2.81Å; W174-R212 HydrophobicContact CD2-CG 4.22Å; W174-R212 HydrophobicContact CE3-CG 3.81Å; W174-R212 HydrophobicContact CH2-CG 3.78Å; W174-R212 HydrophobicContact CZ2-CG 4.19Å; W174-R212 HydrophobicContact CZ3-CG 3.58Å
213	V	92.4	Very high	73.4	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.8	129.1	166.3	177.1	0	0	0	0	107.6	P81 I96 M125 V173 V175 L188	P81-V213 HydrophobicContact CB-CG1 3.92Å; P81-V213 HydrophobicContact CG-CG1 3.59Å; I96-V213 HydrophobicContact CG2-CG2 4.39Å; M125-V213 HydrophobicContact CE-CB 4Å; M125-V213 HydrophobicContact CE-CG1 3.89Å; M125-V213 WeakPolarHBondContact CE-O 3.23Å; M125-V213 HydrophobicContact SD-CB 4.42Å; M125-V213 HydrophobicContact SD-CG1 4.03Å; V173-V213 HydrophobicContact CB-CB 4.16Å; V173-V213 HydrophobicContact CB-CG2 4.18Å; V173-V213 HydrophobicContact CG1-CB 4.14Å; V173-V213 HydrophobicContact CG1-CG2 3.66Å; V173-V213 PolarHBondContact O-N 2.97Å; V175-V213 HydrophobicContact CG2-CG2 3.36Å; L188-V213 HydrophobicContact CD1-CG2 4.37Å
214	R	74.8	Confident	70.7	Confident	52 Å²	52	68.5 Å²	68.5	20%	0.196	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-96.3	119.3	-179.7	-58.5	-174.3	-172.4	124.6	-2	109	E98 D151 G222	E98-R214 PolarHBondContact OE1-N 2.81Å; D151-R214 IonicContact OD2-CZ 3.62Å; D151-R214 IonicContact OD2-NE 2.95Å; D151-R214 IonicContact OD2-NH2 3.74Å; D151-R214 PolarHBondContact OD2-NH2 2.79Å; R214-G222 PolarHBondContact NH1-O 2.95Å
215	D	64	Low	67.7	Low	15 Å²	15	70.1 Å²	70.1	8%	0.08	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-92	123.1	159.6	-174	-7.3	0	0	0	108.4	M125 Q217 F218 H219	M125-D215 HydrophobicContact CE-CB 4.07Å; M125-D215 HydrophobicContact CG-CB 4.24Å; D215-Q217 PolarHBondContact O-N 2.92Å; D215-Q217 VanDerWaalsContact O-N 3.09Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.39Å; D215-Q217 WeakPolarHBondContact OD1-CG 3.05Å; D215-Q217 PolarHBondContact OD1-N 3.07Å; D215-F218 HydrophobicContact CB-CD2 4.28Å; D215-F218 PolarHBondContact O-N 3.33Å; D215-H219 PolarHBondContact O-N 3.42Å
216	M	51.8	Low	64.9	Low	86 Å²	86	76.9 Å²	76.9	42%	0.424	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15	174.7	-76.8	-115	-74	0	0	112.7	K99	K99-M216 HydrophobicContact CB-CG 4.23Å; K99-M216 HydrophobicContact CD-CB 4.38Å; K99-M216 HydrophobicContact CD-CE 3.51Å; K99-M216 HydrophobicContact CD-CG 4.4Å; K99-M216 HydrophobicContact CG-CE 4.01Å
217	Q	50.1	Low	61.8	Low	115 Å²	115	81.3 Å²	81.3	54%	0.537	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.5	173	-63.1	-179.1	28.1	0	0	113.1	D215	D215-Q217 PolarHBondContact O-N 2.92Å; D215-Q217 VanDerWaalsContact O-N 3.09Å; D215-Q217 WeakPolarHBondContact OD1-CB 3.39Å; D215-Q217 WeakPolarHBondContact OD1-CG 3.05Å; D215-Q217 PolarHBondContact OD1-N 3.07Å
218	F	43.6	Very low	58.8	Low	152 Å²	152	86.3 Å²	86.3	67%	0.667	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-21.9	-174.8	-60.9	-75.6	0	0	0	114.4	D215	D215-F218 HydrophobicContact CB-CD2 4.28Å; D215-F218 PolarHBondContact O-N 3.33Å
219	H	45.4	Very low	55.8	Low	62 Å²	62	90 Å²	90	29%	0.287	47%	0.466	S	S	.	.			trans	-130.4	84.9	-174.5	-65	84.9	0	0	0	111.8	D215 R221	D215-H219 PolarHBondContact O-N 3.42Å; H219-R221 VanDerWaalsContact C-N 3.31Å; H219-R221 PolarHBondContact O-N 3.14Å
220	Q	39.5	Very low	52.8	Low	170 Å²	170	95.4 Å²	95.4	79%	0.794	50%	0.504	S	S	*	.			trans	-75.9	-8.9	179.2	-69.7	-177.4	-3.8	0	0	114.9
221	R	32	Very low	49.8	Very low	236 Å²	236	108.7 Å²	108.7	89%	0.891	56%	0.561	S	S	*	*	S	Bend	trans	-107.3	124.3	-176.6	-67.3	-172.8	-174	-173.5	3	110.8	H219	H219-R221 VanDerWaalsContact C-N 3.31Å; H219-R221 PolarHBondContact O-N 3.14Å
222	G	39.4	Very low	47.5	Very low	43 Å²	43	113.2 Å²	113.2	44%	0.443	59%	0.586	S	S	.	*			trans	124.2	4.4	172.2	0	0	0	0	0	116.2	R214 F224	R214-G222 PolarHBondContact NH1-O 2.95Å; G222-F224 PolarHBondContact O-N 3.39Å
223	C	36.8	Very low	45	Very low	57 Å²	57	116.6 Å²	116.6	39%	0.385	61%	0.607	S	S	.	*			trans	-65.6	131.4	175.7	-53.5	0	0	0	0	110.8	N225	C223-N225 VanDerWaalsContact C-N 3.33Å; C223-N225 PolarHBondContact O-N 3.4Å
224	F	36.5	Very low	42.3	Very low	194 Å²	194	123.1 Å²	123.1	85%	0.851	64%	0.641	S	S	*	*			trans	-66.9	99.2	158.8	-83.5	-88.6	0	0	0	106.9	G222 L226	G222-F224 PolarHBondContact O-N 3.39Å; F224-L226 PolarHBondContact O-N 2.95Å
225	N	33.8	Very low	40.4	Very low	141 Å²	141	127.2 Å²	127.2	75%	0.754	67%	0.667	S	S	*	*			trans	-66	103.5	169.4	-68.3	-44.6	0	0	0	107.3	C223 T227	C223-N225 VanDerWaalsContact C-N 3.33Å; C223-N225 PolarHBondContact O-N 3.4Å; N225-T227 VanDerWaalsContact C-N 3.27Å; N225-T227 PolarHBondContact O-N 3.36Å
226	L	37.5	Very low	38.9	Very low	166 Å²	166	134.3 Å²	134.3	87%	0.869	70%	0.703	S	S	*	*			trans	-63.2	101.7	154.7	-84	156	0	0	0	105.2	F224 S228	F224-L226 PolarHBondContact O-N 2.95Å; L226-S228 PolarHBondContact O-N 2.81Å
227	T	33.9	Very low	38.1	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	72%	0.722	S	S	*	*			trans	-54	106.6	170.5	48.1	0	0	0	0	107.1	N225 A229	N225-T227 VanDerWaalsContact C-N 3.27Å; N225-T227 PolarHBondContact O-N 3.36Å; T227-A229 PolarHBondContact O-N 2.68Å
228	S	34.8	Very low	37.2	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	74%	0.735	S	S	*	*			trans	-57.7	111.4	166.6	54.8	0	0	0	0	106.6	L226 S230	L226-S228 PolarHBondContact O-N 2.81Å; S228-S230 PolarHBondContact O-N 3.19Å
229	A	35.5	Very low	36.7	Very low	99 Å²	99	138.1 Å²	138.1	82%	0.818	74%	0.741	S	S	*	*			trans	-63.9	104.8	168.2	0	0	0	0	0	106.9	T227 K231	T227-A229 PolarHBondContact O-N 2.68Å; A229-K231 PolarHBondContact O-N 3.42Å
230	S	36.9	Very low	36	Very low	113 Å²	113	144.4 Å²	144.4	79%	0.79	78%	0.778	S	S	*	*			trans	-60.2	132.1	166.7	-77.9	0	0	0	0	108.6	S228	S228-S230 PolarHBondContact O-N 3.19Å
231	K	35.6	Very low	35.7	Very low	279 Å²	279	142.1 Å²	142.1	100%	1.213	78%	0.777	S	S	*	*			trans	-63.7	0	167.8	-73.4	179.8	178	176.5	0	111.3	A229	A229-K231 PolarHBondContact O-N 3.42Å

Retrieved 231 of 231 residues in 1683.8 ms (Link to these results)

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