A0A087YFW4_POEFO Loading...

Beta-crystallin B1

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

AlphaFold DB , UniProt , Accession A0A087YFW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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	39.3	Very low	33.7	Very low	239 Å²	239	147.8 Å²	147.8	100%	1.177	87%	0.869	S	S	*	*				0	112.9	0	-61.8	-169.8	-157.4	0	0	107.1
2	S	35.8	Very low	33.2	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	86%	0.859	S	S	*	*				53.9	129.3	121.6	-79.4	0	0	0	0	114.9
3	Q	34	Very low	33	Very low	178 Å²	178	138.3 Å²	138.3	83%	0.832	86%	0.856	S	S	*	*			cis	-165.3	143.7	16.5	-114.5	165.3	36.5	0	0	108.5
4	T	32.5	Very low	32.9	Very low	140 Å²	140	139.9 Å²	139.9	86%	0.859	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-75.2	128.7	169.4	-27.7	0	0	0	0	109.4
5	A	39	Very low	32.8	Very low	102 Å²	102	137.7 Å²	137.7	84%	0.843	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-86.6	120.8	171.1	0	0	0	0	0	110.2
6	K	33.6	Very low	32.7	Very low	210 Å²	210	140.9 Å²	140.9	91%	0.913	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-74.8	140.3	169.4	-75.5	173.7	172.8	176.1	0	110.1
7	S	33.1	Very low	32.6	Very low	124 Å²	124	141.5 Å²	141.5	87%	0.867	85%	0.853	S	S	*	*			trans	-124.3	123.5	152	53.4	0	0	0	0	108.7
8	A	32.8	Very low	32.6	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	85%	0.853	S	S	*	*			trans	-91.8	140.7	-175.1	0	0	0	0	0	112
9	S	29.5	Very low	32.4	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	84%	0.842	S	S	*	*			trans	31.9	127.9	142.9	62.2	0	0	0	0	121.2
10	S	32.1	Very low	32.8	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	84%	0.838	S	S	*	*				-156.5	111.6	115.2	58.6	0	0	0	0	110.6
11	Q	29.2	Very low	32.9	Very low	204 Å²	204	137.4 Å²	137.4	95%	0.953	84%	0.838	S	S	*	*			trans	-67.1	125.4	162.9	-74.7	168.9	-29.8	0	0	108.6
12	G	27.9	Very low	32.8	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	82%	0.817	S	S	*	*			trans	-115.7	105.4	162.9	0	0	0	0	0	107.9
13	A	30.6	Very low	33.1	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	82%	0.817	S	S	*	*			trans	-84.2	117	169.6	0	0	0	0	0	108.1
14	D	31	Very low	33.1	Very low	161 Å²	161	126.8 Å²	126.8	86%	0.861	82%	0.815	S	S	*	*			trans	-122.8	89.5	165.7	-89.8	-50.3	0	0	0	108.6	K16	D14-K16 PolarHBondContact O-N 3.31Å
15	A	31.4	Very low	33.1	Very low	106 Å²	106	124.8 Å²	124.8	88%	0.876	81%	0.813	S	S	*	*			trans	-74.9	101.8	160.8	0	0	0	0	0	107.5
16	K	32	Very low	32.7	Very low	189 Å²	189	126.7 Å²	126.7	82%	0.822	81%	0.814	S	S	*	*			trans	-101.3	93.3	170.8	-158.4	167.4	-174.2	172.1	0	109.4	D14 K18	D14-K16 PolarHBondContact O-N 3.31Å; K16-K18 PolarHBondContact O-N 3.11Å; K16-K18 VanDerWaalsContact O-N 3.11Å
17	D	30	Very low	32.9	Very low	151 Å²	151	121.9 Å²	121.9	81%	0.807	81%	0.807	S	S	*	*			trans	-44	107.3	162.3	-175	28.6	0	0	0	109.9	G19	D17-G19 PolarHBondContact O-N 2.9Å
18	K	33.1	Very low	32.8	Very low	198 Å²	198	125.2 Å²	125.2	86%	0.861	81%	0.806	S	S	*	*			trans	-88.6	87.2	171.2	-83.1	-169.3	176.8	-178	0	107.3	K16 A20	K16-K18 PolarHBondContact O-N 3.11Å; K16-K18 VanDerWaalsContact O-N 3.11Å; K18-A20 PolarHBondContact O-N 2.88Å
19	G	29.7	Very low	32.8	Very low	62 Å²	62	125.9 Å²	125.9	64%	0.639	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-49	130.3	167.5	0	0	0	0	0	111	D17	D17-G19 PolarHBondContact O-N 2.9Å
20	A	39.1	Very low	32.8	Very low	92 Å²	92	126.1 Å²	126.1	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-57.9	140.2	172	0	0	0	0	0	110.2	K18 A22	K18-A20 PolarHBondContact O-N 2.88Å; A20-A22 PolarHBondContact O-N 2.7Å
21	P	34.6	Very low	33.2	Very low	128 Å²	128	130.2 Å²	130.2	83%	0.831	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.5	123.5	174.5	28	-29.4	0	0	0	109.3
22	A	37.6	Very low	33.4	Very low	90 Å²	90	126.3 Å²	126.3	74%	0.744	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-64.8	146.8	168.2	0	0	0	0	0	110.3	A20	A20-A22 PolarHBondContact O-N 2.7Å
23	P	41.5	Very low	34	Very low	112 Å²	112	126.9 Å²	126.9	73%	0.727	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-68.4	138.1	179	27.3	-31.7	0	0	0	111.2
24	A	34	Very low	34.1	Very low	96 Å²	96	129.4 Å²	129.4	79%	0.793	81%	0.807	S	S	*	*	S	Bend	trans	-79.5	153.9	172	0	0	0	0	0	111.5
25	A	33	Very low	34.7	Very low	98 Å²	98	127.6 Å²	127.6	81%	0.81	80%	0.804	S	S	*	*			trans	77.3	77.2	178.8	0	0	0	0	0	116.5	S27	A25-S27 PolarHBondContact O-N 3.3Å; A25-S27 VanDerWaalsContact O-N 3.16Å
26	T	30.5	Very low	35	Very low	143 Å²	143	125.3 Å²	125.3	88%	0.877	79%	0.79	S	S	*	*			trans	-62.9	106.9	154.4	-26	0	0	0	0	108.6	K28	T26-K28 PolarHBondContact O-N 2.85Å
27	S	38.8	Very low	36.1	Very low	109 Å²	109	121.1 Å²	121.1	76%	0.762	78%	0.775	S	S	*	*			trans	-70.2	110.1	169.3	37.2	0	0	0	0	108.9	A25 A29	A25-S27 PolarHBondContact O-N 3.3Å; A25-S27 VanDerWaalsContact O-N 3.16Å; S27-A29 PolarHBondContact O-N 3.38Å
28	K	29.5	Very low	37.6	Very low	194 Å²	194	115.7 Å²	115.7	84%	0.843	76%	0.755	S	S	*	*			trans	-63.6	125	163.1	-81.3	-175.5	176.9	178.8	0	107.8	T26 T30	T26-K28 PolarHBondContact O-N 2.85Å; K28-T30 PolarHBondContact O-N 3.25Å
29	A	33.3	Very low	40.1	Very low	106 Å²	106	110.2 Å²	110.2	88%	0.876	74%	0.741	S	S	*	*			trans	-64.4	100.2	170.8	0	0	0	0	0	109.4	S27	S27-A29 PolarHBondContact O-N 3.38Å
30	T	29.2	Very low	43	Very low	117 Å²	117	108.7 Å²	108.7	72%	0.718	72%	0.716	S	S	*	*			trans	-92.6	106.1	167	-41.6	0	0	0	0	107.5	K28 T32	K28-T30 PolarHBondContact O-N 3.25Å; T30-T32 PolarHBondContact O-N 3.09Å
31	K	40.7	Very low	45.7	Very low	206 Å²	206	108.2 Å²	108.2	90%	0.896	70%	0.695	S	S	*	*			trans	-69.2	107.1	163.3	-89.2	-177.8	172.7	179.7	0	108.3
32	T	34	Very low	48.7	Very low	122 Å²	122	102.1 Å²	102.1	75%	0.748	66%	0.656	S	S	*	*			trans	-149.6	110.5	153.4	35.5	0	0	0	0	106.8	T30	T30-T32 PolarHBondContact O-N 3.09Å
33	G	40.4	Very low	51.6	Low	85 Å²	85	99 Å²	99	88%	0.876	63%	0.626	S	S	*	*			trans	-67.6	129.3	173.1	0	0	0	0	0	109.7
34	D	33.3	Very low	54.4	Low	153 Å²	153	93.7 Å²	93.7	82%	0.818	59%	0.591	S	S	*	*			trans	-109.8	127.1	160.6	-159.9	24.5	0	0	0	107	G36	D34-G36 PolarHBondContact O-N 3.06Å
35	P	42.3	Very low	57.4	Low	123 Å²	123	90.1 Å²	90.1	80%	0.799	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	103.6	-174.8	31	-25.2	0	0	0	109.2
36	G	39.3	Very low	60.5	Low	57 Å²	57	87.6 Å²	87.6	59%	0.588	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.5	-14.7	172.6	0	0	0	0	0	118	D34 G38	D34-G36 PolarHBondContact O-N 3.06Å; G36-G38 PolarHBondContact O-N 3.4Å
37	M	55	Low	63.8	Low	102 Å²	102	85.7 Å²	85.7	50%	0.502	51%	0.512	S	S	.	.			trans	-82	113.4	174.8	-85.1	165.9	43.9	0	0	110.1	Y40	M37-Y40 HydrophobicContact CE-CD2 4.31Å; M37-Y40 HydrophobicContact CE-CE2 3.19Å; M37-Y40 WeakPolarHBondContact CE-OH 3.33Å
38	G	61.5	Low	66.6	Low	37 Å²	37	83.9 Å²	83.9	38%	0.381	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-52.1	147	169.5	0	0	0	0	0	110.8	G36 Y40	G36-G38 PolarHBondContact O-N 3.4Å; G38-Y40 PolarHBondContact O-N 3.38Å; G38-Y40 VanDerWaalsContact O-N 3.1Å
39	S	84	Confident	69.9	Low	83 Å²	83	78.8 Å²	78.8	58%	0.58	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.4	119.1	-179.2	58.1	0	0	0	0	110.5	C79	S39-C79 WeakPolarHBondContact O-CB 3.21Å
40	Y	92.3	Very high	73	Confident	29 Å²	29	75.9 Å²	75.9	11%	0.114	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-60.8	140.4	171.3	-68	-78.2	0	0	0	110.1	M37 G38 Q58 C79 F82 P122 I123	M37-Y40 HydrophobicContact CE-CD2 4.31Å; M37-Y40 HydrophobicContact CE-CE2 3.19Å; M37-Y40 WeakPolarHBondContact CE-OH 3.33Å; G38-Y40 PolarHBondContact O-N 3.38Å; G38-Y40 VanDerWaalsContact O-N 3.1Å; Y40-Q58 WeakPolarHBondContact CB-O 3.33Å; Y40-Q58 WeakPolarHBondContact O-CA 3.29Å; Y40-Q58 WeakPolarHBondContact O-CB 3.28Å; Y40-Q58 WeakPolarHBondContact O-CG 3.19Å; Y40-C79 CarbonylContact C-O 3.54Å; Y40-C79 VanDerWaalsContact CA-O 3.27Å; Y40-C79 WeakPolarHBondContact CA-O 3.46Å; Y40-F82 HydrophobicContact CD1-CE2 4.31Å; Y40-F82 HydrophobicContact CG-CZ 4.43Å; Y40-P122 HydrophobicContact CD1-CB 3.89Å; Y40-P122 HydrophobicContact CD1-CG 4.44Å; Y40-P122 HydrophobicContact CD2-CB 3.61Å; Y40-P122 HydrophobicContact CD2-CG 3.78Å; Y40-P122 HydrophobicContact CE1-CB 3.82Å; Y40-P122 HydrophobicContact CE2-CB 3.51Å; Y40-P122 HydrophobicContact CE2-CG 4.16Å; Y40-P122 HydrophobicContact CG-CB 3.78Å; Y40-P122 HydrophobicContact CG-CG 3.92Å; Y40-I123 PolarHBondContact OH-O 3.49Å
41	R	95.7	Very high	76.2	Confident	83 Å²	83	75.7 Å²	75.7	31%	0.313	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	118.4	-177.6	-165.9	160.6	69.4	121.1	4.8	111	E56 E78 C79	R41-E56 WeakPolarHBondContact CD-OE1 3.34Å; R41-E56 HydrophobicContact CG-CG 4.12Å; R41-E78 HydrophobicContact CB-CB 4.5Å; R41-E78 IonicContact CZ-OE1 3.65Å; R41-E78 IonicContact CZ-OE2 2.95Å; R41-E78 IonicContact NE-OE2 3.37Å; R41-E78 PolarHBondContact NE-OE2 2.89Å; R41-E78 IonicContact NH1-OE1 3.68Å; R41-E78 IonicContact NH1-OE2 2.92Å; R41-E78 PolarHBondContact NH1-OE2 3.01Å; R41-E78 VanDerWaalsContact NH1-OE2 3.1Å; R41-E78 IonicContact NH2-OE1 2.77Å; R41-E78 PolarHBondContact NH2-OE1 2.92Å; R41-E78 IonicContact NH2-OE2 3.5Å; R41-E78 PolarHBondContact NH2-OE2 2.85Å; R41-E78 PolarHBondContact O-N 2.81Å; R41-C79 HydrophobicContact CB-CB 4.13Å; R41-C79 PolarHBondContact N-O 2.82Å; R41-C79 PolarHBondContact O-N 3.42Å; R41-C79 VanDerWaalsContact O-N 3.07Å
42	I	97.7	Very high	79	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.2	175	-173.5	174.6	0	0	0	109.6	L44 E56 V57 I75 I76 V77 F82 L97 L120	I42-L44 HydrophobicContact CD1-CD2 3.92Å; I42-L44 HydrophobicContact CG1-CD2 3.94Å; I42-E56 WeakPolarHBondContact O-CA 3.35Å; I42-V57 HydrophobicContact CG2-CB 3.77Å; I42-V57 HydrophobicContact CG2-CG1 4.41Å; I42-V57 WeakPolarHBondContact CG2-O 3.47Å; I42-V57 PolarHBondContact N-O 2.82Å; I42-V57 PolarHBondContact O-N 2.92Å; I42-I75 HydrophobicContact CD1-CG2 3.6Å; I42-I75 HydrophobicContact CG1-CG2 3.63Å; I42-I76 CarbonylContact C-O 3.56Å; I42-I76 WeakPolarHBondContact CA-O 3.33Å; I42-V77 HydrophobicContact CD1-CG2 3.82Å; I42-V77 HydrophobicContact CG1-CG2 3.92Å; 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 3.87Å; I42-F82 HydrophobicContact CD1-CB 4.28Å; I42-F82 HydrophobicContact CD1-CD2 4.2Å; I42-F82 HydrophobicContact CD1-CG 4.15Å; I42-F82 HydrophobicContact CG2-CD1 3.99Å; I42-F82 HydrophobicContact CG2-CD2 4.13Å; I42-F82 HydrophobicContact CG2-CE1 3.59Å; I42-F82 HydrophobicContact CG2-CE2 3.74Å; I42-F82 HydrophobicContact CG2-CG 4.24Å; I42-F82 HydrophobicContact CG2-CZ 3.43Å; I42-F82 VanDerWaalsContact CG2-CZ 3.43Å; I42-L97 HydrophobicContact CD1-CD1 3.82Å; I42-L120 HydrophobicContact CD1-CD1 3.93Å; I42-L120 HydrophobicContact CG2-CD1 3.63Å
43	M	98.4	Very high	82	Confident	24 Å²	24	68.8 Å²	68.8	12%	0.118	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.3	176.9	-65.3	173.9	-69.6	0	0	108.8	F45 M54 I75 I76 E78	M43-F45 HydrophobicContact CB-CE2 3.71Å; M43-F45 HydrophobicContact CB-CZ 4.16Å; M43-M54 HydrophobicContact CB-CG 4.17Å; M43-M54 HydrophobicContact CB-SD 4.16Å; M43-M54 HydrophobicContact CG-SD 4.02Å; M43-I75 WeakPolarHBondContact O-CA 3.35Å; M43-I76 HydrophobicContact CB-CB 4.44Å; M43-I76 HydrophobicContact CE-CB 3.68Å; M43-I76 HydrophobicContact CE-CD1 4.16Å; M43-I76 HydrophobicContact CE-CG1 4.49Å; M43-I76 HydrophobicContact CE-CG2 3.58Å; M43-I76 PolarHBondContact N-O 3.37Å; M43-I76 PolarHBondContact O-N 3.09Å; M43-E78 HydrophobicContact CE-CG 3.66Å; M43-E78 VanDerWaalsContact CE-OE2 3.24Å; M43-E78 WeakPolarHBondContact CE-OE2 3.27Å
44	L	98.6	Very high	84.7	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.3	176.5	-49.8	-175.5	0	0	0	108.9	I42 M54 M55 V57 V64 M69 V72 I75 L120	I42-L44 HydrophobicContact CD1-CD2 3.92Å; I42-L44 HydrophobicContact CG1-CD2 3.94Å; L44-M54 CarbonylContact O-C 3.58Å; L44-M54 WeakPolarHBondContact O-CA 3.47Å; L44-M55 HydrophobicContact CB-CE 4.42Å; L44-M55 HydrophobicContact CD1-CE 3.6Å; L44-M55 HydrophobicContact CG-CE 4.35Å; L44-M55 PolarHBondContact N-O 3.3Å; L44-M55 PolarHBondContact O-N 2.79Å; L44-V57 HydrophobicContact CD1-CG2 4.37Å; L44-V64 HydrophobicContact CD1-CG1 4.01Å; L44-M69 HydrophobicContact CB-CE 4.32Å; L44-M69 WeakPolarHBondContact O-CE 3.39Å; L44-V72 HydrophobicContact CB-CG1 4.08Å; L44-V72 HydrophobicContact CB-CG2 4.11Å; L44-V72 HydrophobicContact CD1-CG2 4.01Å; L44-V72 HydrophobicContact CD2-CG1 4.29Å; L44-I75 HydrophobicContact CD2-CB 4.45Å; L44-I75 HydrophobicContact CD2-CD1 4.22Å; L44-I75 HydrophobicContact CD2-CG1 3.87Å; L44-I75 HydrophobicContact CD2-CG2 4.03Å; L44-L120 HydrophobicContact CD1-CD1 4.38Å; L44-L120 HydrophobicContact CD1-CD2 3.91Å
45	F	98.6	Very high	87.7	Confident	21 Å²	21	62.6 Å²	62.6	9%	0.092	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.3	-178.5	-64.2	-96.7	0	0	0	110.6	M43 Q47 F50 R53 M54 R73 S74 I76	M43-F45 HydrophobicContact CB-CE2 3.71Å; M43-F45 HydrophobicContact CB-CZ 4.16Å; F45-Q47 VanDerWaalsContact C-N 3.3Å; F45-F50 VanDerWaalsContact CD1-C 3.42Å; F45-F50 HydrophobicContact CD1-CB 4.34Å; F45-F50 WeakPolarHBondContact CD1-O 3.41Å; F45-F50 HydrophobicContact CD2-CB 4.27Å; F45-F50 HydrophobicContact CD2-CD1 4.22Å; F45-F50 HydrophobicContact CE1-CB 4.13Å; F45-F50 WeakPolarHBondContact CE1-O 3.45Å; F45-F50 HydrophobicContact CE2-CB 4.08Å; F45-F50 HydrophobicContact CE2-CD1 4.24Å; F45-F50 HydrophobicContact CG-CB 4.41Å; F45-F50 HydrophobicContact CZ-CB 4.01Å; F45-R53 WeakPolarHBondContact CA-O 3.12Å; F45-M54 HydrophobicContact CD1-CB 3.85Å; F45-M54 HydrophobicContact CD1-CG 3.98Å; F45-M54 HydrophobicContact CE1-CB 3.69Å; F45-M54 HydrophobicContact CE1-CG 3.52Å; F45-M54 HydrophobicContact CE2-CG 4.22Å; F45-M54 HydrophobicContact CZ-CB 4.35Å; F45-M54 HydrophobicContact CZ-CG 3.65Å; F45-R73 PolarHBondContact O-N 3.29Å; F45-S74 VanDerWaalsContact CB-OG 3.28Å; F45-S74 WeakPolarHBondContact CB-OG 3.33Å; F45-S74 PolarHBondContact N-O 2.67Å; F45-S74 PolarHBondContact O-N 2.89Å; F45-I76 HydrophobicContact CE2-CB 4.43Å; F45-I76 HydrophobicContact CE2-CD1 3.89Å; F45-I76 HydrophobicContact CE2-CG1 3.91Å; F45-I76 HydrophobicContact CZ-CD1 4.11Å
46	D	97.9	Very high	90.4	Very high	45 Å²	45	60.2 Å²	60.2	24%	0.241	32%	0.324	C	S	.	.	S	Bend	trans	-80.7	-9.7	179.5	73.7	-8.1	0	0	0	114.2	G52 R53 M69 R71 R73	D46-G52 VanDerWaalsContact OD1-CA 3.29Å; D46-G52 WeakPolarHBondContact OD1-CA 3.5Å; D46-R53 HydrophobicContact CB-CB 4.38Å; D46-R53 PolarHBondContact N-O 3.43Å; D46-R53 PolarHBondContact OD1-N 3.19Å; D46-R53 VanDerWaalsContact OD2-CB 3.29Å; D46-R53 WeakPolarHBondContact OD2-CB 3.28Å; D46-M69 HydrophobicContact CB-SD 3.76Å; D46-R71 WeakPolarHBondContact CA-O 3.42Å; D46-R73 WeakPolarHBondContact O-CD 3.5Å; D46-R73 VanDerWaalsContact O-CG 3.28Å; D46-R73 WeakPolarHBondContact O-CG 3.37Å
47	Q	98.4	Very high	93.1	Very high	103 Å²	103	57.7 Å²	57.7	48%	0.481	30%	0.297	S	S	.	.	S	Bend	trans	-118.9	161.4	172	-64.1	175.9	37.4	0	0	111.8	F45 Q51 S74	F45-Q47 VanDerWaalsContact C-N 3.3Å; Q47-Q51 HydrophobicContact CB-CB 3.95Å; Q47-Q51 WeakPolarHBondContact CB-O 3.43Å; Q47-Q51 PolarHBondContact N-O 3.05Å; Q47-S74 WeakPolarHBondContact O-CB 3.28Å; Q47-S74 PolarHBondContact O-N 2.85Å; Q47-S74 PolarHBondContact O-OG 3.27Å
48	E	98.5	Very high	95.1	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	29%	0.294	S	S	.	.	S	Bend	trans	-69	161.5	173.7	-64.6	-177	-177	0	0	110.7	F50 R73 P103 R104	E48-F50 PolarHBondContact O-N 3.46Å; E48-R73 HydrophobicContact CG-CB 4.07Å; E48-P103 WeakPolarHBondContact CA-O 3.09Å; E48-R104 HydrophobicContact CB-CG 4.15Å; E48-R104 HydrophobicContact CG-CG 3.96Å; E48-R104 WeakPolarHBondContact OE2-CD 3.41Å; E48-R104 WeakPolarHBondContact OE2-CG 3.46Å
49	N	98.2	Very high	96.6	Very high	86 Å²	86	61.2 Å²	61.2	46%	0.46	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	37.4	176.9	-48.2	-66.9	0	0	0	113.7	Q51 P103	N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 WeakPolarHBondContact O-CG 3.3Å; N49-Q51 PolarHBondContact O-N 2.82Å; N49-Q51 PolarHBondContact O-NE2 3.46Å; N49-P103 PolarHBondContact N-O 3Å
50	F	98.3	Very high	97.2	Very high	46 Å²	46	62.2 Å²	62.2	20%	0.202	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	35.7	171.4	-34.6	-60.8	0	0	0	113.7	F45 E48 S74 I75 I76 E101 P103	F45-F50 VanDerWaalsContact CD1-C 3.42Å; F45-F50 HydrophobicContact CD1-CB 4.34Å; F45-F50 WeakPolarHBondContact CD1-O 3.41Å; F45-F50 HydrophobicContact CD2-CB 4.27Å; F45-F50 HydrophobicContact CD2-CD1 4.22Å; F45-F50 HydrophobicContact CE1-CB 4.13Å; F45-F50 WeakPolarHBondContact CE1-O 3.45Å; F45-F50 HydrophobicContact CE2-CB 4.08Å; F45-F50 HydrophobicContact CE2-CD1 4.24Å; F45-F50 HydrophobicContact CG-CB 4.41Å; F45-F50 HydrophobicContact CZ-CB 4.01Å; E48-F50 PolarHBondContact O-N 3.46Å; F50-S74 VanDerWaalsContact CA-OG 3.26Å; F50-S74 WeakPolarHBondContact CA-OG 3.45Å; F50-S74 PolarHBondContact N-OG 3Å; F50-I75 WeakPolarHBondContact CE1-O 2.98Å; F50-I76 HydrophobicContact CB-CD1 4.08Å; F50-I76 HydrophobicContact CD1-CD1 3.73Å; F50-I76 HydrophobicContact CD1-CG1 3.4Å; F50-I76 VanDerWaalsContact CD1-CG1 3.4Å; F50-I76 HydrophobicContact CD2-CD1 4.3Å; F50-I76 HydrophobicContact CE1-CD1 4.3Å; F50-I76 HydrophobicContact CE1-CG1 3.63Å; F50-I76 HydrophobicContact CG-CD1 3.75Å; F50-I76 HydrophobicContact CG-CG1 3.97Å; 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 4.2Å; F50-P103 HydrophobicContact CE1-CB 4.41Å; F50-P103 HydrophobicContact CE2-CB 4.26Å; F50-P103 HydrophobicContact CZ-CB 3.78Å
51	Q	98.3	Very high	97.5	Very high	113 Å²	113	61.1 Å²	61.1	53%	0.528	30%	0.298	S	S	.	.			trans	-106.7	171.4	-179.6	-58.4	-53.2	-55.3	0	0	112.1	Q47 N49	Q47-Q51 HydrophobicContact CB-CB 3.95Å; Q47-Q51 WeakPolarHBondContact CB-O 3.43Å; Q47-Q51 PolarHBondContact N-O 3.05Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 WeakPolarHBondContact O-CG 3.3Å; N49-Q51 PolarHBondContact O-N 2.82Å; N49-Q51 PolarHBondContact O-NE2 3.46Å
52	G	97.5	Very high	97.6	Very high	47 Å²	47	61.4 Å²	61.4	49%	0.485	30%	0.304	S	S	.	.	S	Bend	trans	78.4	-148.7	172.7	0	0	0	0	0	113.8	D46	D46-G52 VanDerWaalsContact OD1-CA 3.29Å; D46-G52 WeakPolarHBondContact OD1-CA 3.5Å
53	R	97.3	Very high	97.6	Very high	136 Å²	136	63 Å²	63	51%	0.513	31%	0.313	S	S	.	.			trans	-70.7	130.8	177.8	-177.2	-178.1	-66.5	158.3	5.3	108.9	F45 D46 G68	F45-R53 WeakPolarHBondContact CA-O 3.12Å; D46-R53 HydrophobicContact CB-CB 4.38Å; D46-R53 PolarHBondContact N-O 3.43Å; D46-R53 PolarHBondContact OD1-N 3.19Å; D46-R53 VanDerWaalsContact OD2-CB 3.29Å; D46-R53 WeakPolarHBondContact OD2-CB 3.28Å; R53-G68 WeakPolarHBondContact CD-O 3.35Å; R53-G68 PolarHBondContact NH1-O 3.35Å
54	M	97.5	Very high	97.6	Very high	90 Å²	90	61.9 Å²	61.9	44%	0.443	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.2	174.6	-174.4	-81.7	-72.9	0	0	110.3	M43 L44 F45 E56	M43-M54 HydrophobicContact CB-CG 4.17Å; M43-M54 HydrophobicContact CB-SD 4.16Å; M43-M54 HydrophobicContact CG-SD 4.02Å; L44-M54 CarbonylContact O-C 3.58Å; L44-M54 WeakPolarHBondContact O-CA 3.47Å; F45-M54 HydrophobicContact CD1-CB 3.85Å; F45-M54 HydrophobicContact CD1-CG 3.98Å; F45-M54 HydrophobicContact CE1-CB 3.69Å; F45-M54 HydrophobicContact CE1-CG 3.52Å; F45-M54 HydrophobicContact CE2-CG 4.22Å; F45-M54 HydrophobicContact CZ-CB 4.35Å; F45-M54 HydrophobicContact CZ-CG 3.65Å; M54-E56 HydrophobicContact SD-CB 4.28Å; M54-E56 PolarHBondContact SD-N 3.32Å
55	M	97.4	Very high	97.5	Very high	18 Å²	18	63.9 Å²	63.9	9%	0.089	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.7	169.7	177.3	179.6	65	0	0	110.1	L44 V57 V64 R67 M69	L44-M55 HydrophobicContact CB-CE 4.42Å; L44-M55 HydrophobicContact CD1-CE 3.6Å; L44-M55 HydrophobicContact CG-CE 4.35Å; L44-M55 PolarHBondContact N-O 3.3Å; L44-M55 PolarHBondContact O-N 2.79Å; M55-V57 HydrophobicContact CE-CG2 3.88Å; M55-V57 HydrophobicContact CG-CG2 4.24Å; M55-V57 HydrophobicContact SD-CG2 4.36Å; M55-V64 HydrophobicContact CE-CB 3.93Å; M55-V64 HydrophobicContact CE-CG1 3.97Å; M55-R67 HydrophobicContact SD-CB 3.3Å; M55-R67 WeakPolarHBondContact SD-CB 3.48Å; M55-R67 HydrophobicContact SD-CG 4.12Å; M55-M69 HydrophobicContact CB-CE 3.59Å; M55-M69 HydrophobicContact CE-CB 3.88Å; M55-M69 HydrophobicContact CE-CG 4.2Å; M55-M69 HydrophobicContact SD-CB 4.32Å
56	E	97.6	Very high	97.4	Very high	72 Å²	72	69.3 Å²	69.3	34%	0.336	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136.6	171.5	-172.2	-179.3	143	0	0	110.8	R41 I42 M54 Q58	R41-E56 WeakPolarHBondContact CD-OE1 3.34Å; R41-E56 HydrophobicContact CG-CG 4.12Å; I42-E56 WeakPolarHBondContact O-CA 3.35Å; M54-E56 HydrophobicContact SD-CB 4.28Å; M54-E56 PolarHBondContact SD-N 3.32Å; E56-Q58 PolarHBondContact OE1-NE2 2.95Å
57	V	97.1	Very high	97.1	Very high	5 Å²	5	74.5 Å²	74.5	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.9	174.6	-177.5	0	0	0	0	108.9	I42 L44 M55 N59 C61 L120	I42-V57 HydrophobicContact CG2-CB 3.77Å; I42-V57 HydrophobicContact CG2-CG1 4.41Å; I42-V57 WeakPolarHBondContact CG2-O 3.47Å; I42-V57 PolarHBondContact N-O 2.82Å; I42-V57 PolarHBondContact O-N 2.92Å; L44-V57 HydrophobicContact CD1-CG2 4.37Å; M55-V57 HydrophobicContact CE-CG2 3.88Å; M55-V57 HydrophobicContact CG-CG2 4.24Å; M55-V57 HydrophobicContact SD-CG2 4.36Å; V57-N59 WeakPolarHBondContact CG1-O 3.47Å; V57-C61 HydrophobicContact CG1-CB 4.11Å; V57-L120 HydrophobicContact CB-CD1 4.39Å; V57-L120 HydrophobicContact CG1-CD1 4.22Å; V57-L120 HydrophobicContact CG1-CG 4.4Å
58	Q	95.5	Very high	96.9	Very high	94 Å²	94	71 Å²	71	44%	0.439	36%	0.359	S	S	.	.	S	Bend	trans	-116.4	-24.6	178.5	-63.6	-178.1	-18.8	0	0	112.7	Y40 E56	Y40-Q58 WeakPolarHBondContact CB-O 3.33Å; Y40-Q58 WeakPolarHBondContact O-CA 3.29Å; Y40-Q58 WeakPolarHBondContact O-CB 3.28Å; Y40-Q58 WeakPolarHBondContact O-CG 3.19Å; E56-Q58 PolarHBondContact OE1-NE2 2.95Å
59	N	94.8	Very high	96.8	Very high	118 Å²	118	67.7 Å²	67.7	63%	0.631	34%	0.343	S	S	*	.	S	Bend	trans	-120.6	-164.2	-179	-63.8	-57.1	0	0	0	109.5	V57	V57-N59 WeakPolarHBondContact CG1-O 3.47Å
60	E	96.8	Very high	96.5	Very high	105 Å²	105	69.4 Å²	69.4	49%	0.491	35%	0.352	S	S	.	.			trans	-67.6	147.7	170.6	70	-178.5	-167.3	0	0	112.6	F90 L120 R121	E60-F90 HydrophobicContact CB-CZ 3.91Å; E60-F90 HydrophobicContact CG-CZ 4.44Å; E60-L120 CarbonylContact C-O 3.49Å; E60-L120 WeakPolarHBondContact CA-O 3.29Å; E60-R121 HydrophobicContact CB-CB 3.71Å
61	C	97.9	Very high	96.4	Very high	5 Å²	5	72.2 Å²	72.2	3%	0.034	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-136.2	108.8	174.5	-175.8	0	0	0	0	108.1	V57 N63 S119 L120	V57-C61 HydrophobicContact CG1-CB 4.11Å; C61-N63 VanDerWaalsContact C-N 3.32Å; C61-N63 PolarHBondContact SG-O 3.32Å; C61-S119 CarbonylContact O-C 3.54Å; C61-S119 WeakPolarHBondContact O-CA 3.37Å; C61-S119 WeakPolarHBondContact O-CB 3.26Å; C61-L120 HydrophobicContact CB-CD2 3.83Å; C61-L120 HydrophobicContact CB-CG 4.4Å; C61-L120 PolarHBondContact N-O 2.69Å; C61-L120 PolarHBondContact O-N 2.93Å
62	M	98	Very high	96.4	Very high	90 Å²	90	67 Å²	67	44%	0.443	34%	0.337	S	S	.	.	S	Bend	trans	-75.9	-20.6	-176.9	-65.8	-174.6	-178.5	0	0	113.3	T88 N89 F90 S119	M62-T88 CarbonylContact O-C 3.53Å; M62-T88 WeakPolarHBondContact O-CA 3.47Å; M62-T88 WeakPolarHBondContact O-CB 3.39Å; M62-N89 PolarHBondContact O-N 3.12Å; M62-F90 HydrophobicContact CE-CE2 4.19Å; M62-F90 HydrophobicContact CG-CE1 4.48Å; M62-F90 HydrophobicContact CG-CE2 3.94Å; M62-F90 HydrophobicContact CG-CZ 3.69Å; M62-S119 VanDerWaalsContact O-CB 3.26Å; M62-S119 WeakPolarHBondContact O-CB 3.2Å
63	N	98.1	Very high	96.4	Very high	33 Å²	33	69 Å²	69	18%	0.176	33%	0.331	C	S	.	.			trans	-156.2	111.5	177.5	-176.7	9.4	0	0	0	109.7	C61 C65 D66 T88 M118	C61-N63 VanDerWaalsContact C-N 3.32Å; C61-N63 PolarHBondContact SG-O 3.32Å; N63-C65 VanDerWaalsContact C-N 3.25Å; N63-C65 PolarHBondContact O-N 2.78Å; N63-C65 WeakPolarHBondContact OD1-CB 3.42Å; N63-C65 PolarHBondContact OD1-N 3.41Å; N63-C65 VanDerWaalsContact OD1-N 3.09Å; N63-D66 HydrophobicContact CB-CB 4.45Å; N63-D66 WeakPolarHBondContact CB-OD2 3.4Å; N63-D66 PolarHBondContact ND2-OD1 2.84Å; N63-D66 PolarHBondContact ND2-OD2 3.09Å; N63-D66 PolarHBondContact O-N 2.88Å; N63-T88 HydrophobicContact CB-CG2 3.99Å; N63-T88 WeakPolarHBondContact OD1-CG2 3.25Å; N63-M118 CarbonylContact C-O 3.6Å; N63-M118 VanDerWaalsContact CA-O 3.27Å; N63-M118 WeakPolarHBondContact CA-O 3.22Å
64	V	97.6	Very high	96.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-67.5	-27	178.5	-61.1	0	0	0	0	112.2	L44 M55 D66 R67 M69 L117 M118 L120	L44-V64 HydrophobicContact CD1-CG1 4.01Å; M55-V64 HydrophobicContact CE-CB 3.93Å; M55-V64 HydrophobicContact CE-CG1 3.97Å; V64-D66 VanDerWaalsContact C-N 3.3Å; V64-D66 PolarHBondContact O-N 2.86Å; V64-R67 PolarHBondContact O-N 2.9Å; V64-R67 VanDerWaalsContact O-N 3.09Å; V64-M69 CarbonylContact C-O 3.49Å; V64-M69 HydrophobicContact CB-CB 4.09Å; V64-M69 HydrophobicContact CB-CG 4.36Å; V64-M69 HydrophobicContact CG2-CB 4.42Å; V64-M69 HydrophobicContact CG2-CG 4.44Å; V64-M69 WeakPolarHBondContact CG2-O 3.49Å; V64-M69 WeakPolarHBondContact O-CB 3.47Å; V64-M69 PolarHBondContact O-N 2.79Å; V64-L117 HydrophobicContact CG1-CD2 4.42Å; V64-L117 WeakPolarHBondContact CG2-O 3.41Å; V64-M118 HydrophobicContact CG2-SD 4.31Å; V64-M118 PolarHBondContact N-O 3.5Å; V64-L120 HydrophobicContact CG1-CD2 3.69Å
65	C	96.6	Very high	96.5	Very high	43 Å²	43	58.3 Å²	58.3	29%	0.291	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-65.1	-33.4	178.2	-59	0	0	0	0	112.2	N63 R67 G68 M69	N63-C65 VanDerWaalsContact C-N 3.25Å; N63-C65 PolarHBondContact O-N 2.78Å; N63-C65 WeakPolarHBondContact OD1-CB 3.42Å; N63-C65 PolarHBondContact OD1-N 3.41Å; N63-C65 VanDerWaalsContact OD1-N 3.09Å; C65-R67 PolarHBondContact O-N 3.32Å; C65-G68 PolarHBondContact O-N 2.93Å; C65-M69 WeakPolarHBondContact CA-O 3.41Å; C65-M69 PolarHBondContact N-O 3.33Å
66	D	95.7	Very high	96.6	Very high	134 Å²	134	58.8 Å²	58.8	72%	0.717	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.9	-16.3	177.3	-65.6	-16.6	0	0	0	112.3	N63 V64	N63-D66 HydrophobicContact CB-CB 4.45Å; N63-D66 WeakPolarHBondContact CB-OD2 3.4Å; N63-D66 PolarHBondContact ND2-OD1 2.84Å; N63-D66 PolarHBondContact ND2-OD2 3.09Å; N63-D66 PolarHBondContact O-N 2.88Å; V64-D66 VanDerWaalsContact C-N 3.3Å; V64-D66 PolarHBondContact O-N 2.86Å
67	R	93.1	Very high	96.5	Very high	155 Å²	155	55.5 Å²	55.5	59%	0.585	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-104.9	15	176	-62.1	-172.6	171.9	-132.2	-2.7	112.9	M55 V64 C65	M55-R67 HydrophobicContact SD-CB 3.3Å; M55-R67 WeakPolarHBondContact SD-CB 3.48Å; M55-R67 HydrophobicContact SD-CG 4.12Å; V64-R67 PolarHBondContact O-N 2.9Å; V64-R67 VanDerWaalsContact O-N 3.09Å; C65-R67 PolarHBondContact O-N 3.32Å
68	G	92.7	Very high	96.3	Very high	30 Å²	30	57.9 Å²	57.9	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	25.1	177.4	0	0	0	0	0	114	R53 C65	R53-G68 WeakPolarHBondContact CD-O 3.35Å; R53-G68 PolarHBondContact NH1-O 3.35Å; C65-G68 PolarHBondContact O-N 2.93Å
69	M	96.1	Very high	96.2	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.276	C	S	.	.			trans	-109.5	91.9	173.8	-174.8	64.4	68.4	0	0	109.4	L44 D46 M55 V64 C65 R71 V72	L44-M69 HydrophobicContact CB-CE 4.32Å; L44-M69 WeakPolarHBondContact O-CE 3.39Å; D46-M69 HydrophobicContact CB-SD 3.76Å; M55-M69 HydrophobicContact CB-CE 3.59Å; M55-M69 HydrophobicContact CE-CB 3.88Å; M55-M69 HydrophobicContact CE-CG 4.2Å; M55-M69 HydrophobicContact SD-CB 4.32Å; V64-M69 CarbonylContact C-O 3.49Å; V64-M69 HydrophobicContact CB-CB 4.09Å; V64-M69 HydrophobicContact CB-CG 4.36Å; V64-M69 HydrophobicContact CG2-CB 4.42Å; V64-M69 HydrophobicContact CG2-CG 4.44Å; V64-M69 WeakPolarHBondContact CG2-O 3.49Å; V64-M69 WeakPolarHBondContact O-CB 3.47Å; V64-M69 PolarHBondContact O-N 2.79Å; C65-M69 WeakPolarHBondContact CA-O 3.41Å; C65-M69 PolarHBondContact N-O 3.33Å; M69-R71 VanDerWaalsContact C-N 3.32Å; M69-V72 HydrophobicContact CG-CG2 3.65Å; M69-V72 HydrophobicContact SD-CG2 4.33Å
70	D	93	Very high	96	Very high	121 Å²	121	50 Å²	50	65%	0.647	25%	0.248	S	C	*	.	S	Bend	trans	-72.4	-28	-177	-61.1	-36.6	0	0	0	112.9
71	R	95.1	Very high	95.9	Very high	106 Å²	106	45 Å²	45	40%	0.4	23%	0.225	S	C	.	.			trans	-152	137.6	176.5	-171.2	173.6	-68.2	-140.1	1.5	109.8	D46 M69 R73 D115	D46-R71 WeakPolarHBondContact CA-O 3.42Å; M69-R71 VanDerWaalsContact C-N 3.32Å; R71-R73 HydrophobicContact CG-CG 4.2Å; R71-D115 IonicContact CZ-OD2 3.89Å; R71-D115 IonicContact NH1-OD2 2.85Å; R71-D115 PolarHBondContact NH1-OD2 3.31Å
72	V	98.2	Very high	95.9	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	22%	0.223	C	C	.	.			trans	-98.8	129.8	170.3	-179.1	0	0	0	0	108.5	L44 M69 I75 W108 L117	L44-V72 HydrophobicContact CB-CG1 4.08Å; L44-V72 HydrophobicContact CB-CG2 4.11Å; L44-V72 HydrophobicContact CD1-CG2 4.01Å; L44-V72 HydrophobicContact CD2-CG1 4.29Å; M69-V72 HydrophobicContact CG-CG2 3.65Å; M69-V72 HydrophobicContact SD-CG2 4.33Å; V72-I75 HydrophobicContact CG1-CD1 4.16Å; V72-I75 HydrophobicContact CG1-CG1 3.74Å; V72-W108 HydrophobicContact CG1-CH2 4.31Å; V72-L117 HydrophobicContact CB-CB 4.31Å; V72-L117 HydrophobicContact CG1-CD1 4.48Å; V72-L117 HydrophobicContact CG2-CD2 4.29Å
73	R	98.3	Very high	95.9	Very high	90 Å²	90	40.5 Å²	40.5	34%	0.34	20%	0.202	S	C	.	.			trans	-123.2	-22.4	-178.9	-70.6	-164.6	-176.3	-93.6	0.2	114	F45 D46 E48 R71 R104	F45-R73 PolarHBondContact O-N 3.29Å; D46-R73 WeakPolarHBondContact O-CD 3.5Å; D46-R73 VanDerWaalsContact O-CG 3.28Å; D46-R73 WeakPolarHBondContact O-CG 3.37Å; E48-R73 HydrophobicContact CG-CB 4.07Å; R71-R73 HydrophobicContact CG-CG 4.2Å; R73-R104 WeakPolarHBondContact O-CA 3.37Å
74	S	98.7	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.3	168.1	61	0	0	0	0	111.6	F45 Q47 F50 Y102 P103	F45-S74 VanDerWaalsContact CB-OG 3.28Å; F45-S74 WeakPolarHBondContact CB-OG 3.33Å; F45-S74 PolarHBondContact N-O 2.67Å; F45-S74 PolarHBondContact O-N 2.89Å; Q47-S74 WeakPolarHBondContact O-CB 3.28Å; Q47-S74 PolarHBondContact O-N 2.85Å; Q47-S74 PolarHBondContact O-OG 3.27Å; F50-S74 VanDerWaalsContact CA-OG 3.26Å; F50-S74 WeakPolarHBondContact CA-OG 3.45Å; F50-S74 PolarHBondContact N-OG 3Å; S74-Y102 CarbonylContact C-O 3.54Å; S74-Y102 VanDerWaalsContact CA-O 3.3Å; S74-Y102 WeakPolarHBondContact CA-O 3.3Å; S74-Y102 WeakPolarHBondContact CB-O 3.37Å; S74-P103 WeakPolarHBondContact CB-O 3.34Å
75	I	98.7	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.6	-172.3	-57.4	174.4	0	0	0	109.5	I42 M43 L44 F50 V72 V77 L97 Y102 W108 L117	I42-I75 HydrophobicContact CD1-CG2 3.6Å; I42-I75 HydrophobicContact CG1-CG2 3.63Å; M43-I75 WeakPolarHBondContact O-CA 3.35Å; L44-I75 HydrophobicContact CD2-CB 4.45Å; L44-I75 HydrophobicContact CD2-CD1 4.22Å; L44-I75 HydrophobicContact CD2-CG1 3.87Å; L44-I75 HydrophobicContact CD2-CG2 4.03Å; F50-I75 WeakPolarHBondContact CE1-O 2.98Å; V72-I75 HydrophobicContact CG1-CD1 4.16Å; V72-I75 HydrophobicContact CG1-CG1 3.74Å; I75-V77 HydrophobicContact CG2-CG2 4.04Å; I75-L97 HydrophobicContact CD1-CD1 3.88Å; I75-L97 HydrophobicContact CD1-CD2 4.35Å; I75-L97 HydrophobicContact CG2-CD1 4.45Å; I75-Y102 HydrophobicContact CB-CD2 4.36Å; I75-Y102 HydrophobicContact CG2-CD2 4.33Å; I75-Y102 PolarHBondContact N-O 3.37Å; I75-Y102 PolarHBondContact O-N 3.04Å; I75-W108 HydrophobicContact CD1-CD2 3.96Å; I75-W108 HydrophobicContact CD1-CE3 3.7Å; I75-W108 HydrophobicContact CD1-CH2 4.25Å; I75-W108 HydrophobicContact CD1-CZ2 4.47Å; I75-W108 HydrophobicContact CD1-CZ3 3.87Å; I75-W108 HydrophobicContact CG1-CE3 4.06Å; I75-W108 HydrophobicContact CG1-CH2 4.34Å; I75-W108 HydrophobicContact CG1-CZ3 3.84Å; I75-L117 HydrophobicContact CD1-CD1 3.47Å; I75-L117 VanDerWaalsContact CD1-CD1 3.47Å
76	I	98.3	Very high	96	Very high	29 Å²	29	39.8 Å²	39.8	15%	0.149	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.3	164.6	-57.5	177	0	0	0	107.9	I42 M43 F45 F50 E78 E101	I42-I76 CarbonylContact C-O 3.56Å; I42-I76 WeakPolarHBondContact CA-O 3.33Å; M43-I76 HydrophobicContact CB-CB 4.44Å; M43-I76 HydrophobicContact CE-CB 3.68Å; M43-I76 HydrophobicContact CE-CD1 4.16Å; M43-I76 HydrophobicContact CE-CG1 4.49Å; M43-I76 HydrophobicContact CE-CG2 3.58Å; M43-I76 PolarHBondContact N-O 3.37Å; M43-I76 PolarHBondContact O-N 3.09Å; F45-I76 HydrophobicContact CE2-CB 4.43Å; F45-I76 HydrophobicContact CE2-CD1 3.89Å; F45-I76 HydrophobicContact CE2-CG1 3.91Å; F45-I76 HydrophobicContact CZ-CD1 4.11Å; F50-I76 HydrophobicContact CB-CD1 4.08Å; F50-I76 HydrophobicContact CD1-CD1 3.73Å; F50-I76 HydrophobicContact CD1-CG1 3.4Å; F50-I76 VanDerWaalsContact CD1-CG1 3.4Å; F50-I76 HydrophobicContact CD2-CD1 4.3Å; F50-I76 HydrophobicContact CE1-CD1 4.3Å; F50-I76 HydrophobicContact CE1-CG1 3.63Å; F50-I76 HydrophobicContact CG-CD1 3.75Å; F50-I76 HydrophobicContact CG-CG1 3.97Å; F50-I76 HydrophobicContact CZ-CG1 4.36Å; I76-E78 HydrophobicContact CG2-CG 4.02Å; I76-E101 HydrophobicContact CG1-CG 4.35Å; I76-E101 HydrophobicContact CG2-CG 4.41Å
77	V	96.8	Very high	96.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.6	171.7	-175.7	0	0	0	0	107.9	I42 I75 F82 L97 E98 K99 G100 Y102	I42-V77 HydrophobicContact CD1-CG2 3.82Å; I42-V77 HydrophobicContact CG1-CG2 3.92Å; I75-V77 HydrophobicContact CG2-CG2 4.04Å; V77-F82 HydrophobicContact CG1-CD2 4.16Å; V77-L97 HydrophobicContact CG2-CB 3.88Å; V77-E98 VanDerWaalsContact CB-O 3.27Å; V77-E98 WeakPolarHBondContact CB-O 3.33Å; V77-E98 WeakPolarHBondContact CG2-O 3.45Å; V77-K99 WeakPolarHBondContact O-CA 3.46Å; V77-K99 WeakPolarHBondContact O-CG 3.26Å; V77-G100 PolarHBondContact N-O 3.04Å; V77-G100 PolarHBondContact O-N 3.38Å; V77-Y102 HydrophobicContact CG2-CD2 4.4Å; V77-Y102 HydrophobicContact CG2-CE2 3.94Å
78	E	93.4	Very high	96.4	Very high	56 Å²	56	32.9 Å²	32.9	26%	0.262	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-41	177.8	-72	174.1	118.1	0	0	111.6	R41 M43 I76 K99	R41-E78 HydrophobicContact CB-CB 4.5Å; R41-E78 IonicContact CZ-OE1 3.65Å; R41-E78 IonicContact CZ-OE2 2.95Å; R41-E78 IonicContact NE-OE2 3.37Å; R41-E78 PolarHBondContact NE-OE2 2.89Å; R41-E78 IonicContact NH1-OE1 3.68Å; R41-E78 IonicContact NH1-OE2 2.92Å; R41-E78 PolarHBondContact NH1-OE2 3.01Å; R41-E78 VanDerWaalsContact NH1-OE2 3.1Å; R41-E78 IonicContact NH2-OE1 2.77Å; R41-E78 PolarHBondContact NH2-OE1 2.92Å; R41-E78 IonicContact NH2-OE2 3.5Å; R41-E78 PolarHBondContact NH2-OE2 2.85Å; R41-E78 PolarHBondContact O-N 2.81Å; M43-E78 HydrophobicContact CE-CG 3.66Å; M43-E78 VanDerWaalsContact CE-OE2 3.24Å; M43-E78 WeakPolarHBondContact CE-OE2 3.27Å; I76-E78 HydrophobicContact CG2-CG 4.02Å; E78-K99 WeakPolarHBondContact O-CD 3.38Å; E78-K99 WeakPolarHBondContact O-CE 3.48Å
79	C	92.3	Very high	96.6	Very high	41 Å²	41	35.3 Å²	35.3	28%	0.277	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	98.5	179	-61	0	0	0	0	109	S39 Y40 R41 F82	S39-C79 WeakPolarHBondContact O-CB 3.21Å; Y40-C79 CarbonylContact C-O 3.54Å; Y40-C79 VanDerWaalsContact CA-O 3.27Å; Y40-C79 WeakPolarHBondContact CA-O 3.46Å; R41-C79 HydrophobicContact CB-CB 4.13Å; R41-C79 PolarHBondContact N-O 2.82Å; R41-C79 PolarHBondContact O-N 3.42Å; R41-C79 VanDerWaalsContact O-N 3.07Å; C79-F82 WeakPolarHBondContact O-CE2 3.41Å
80	G	91.3	Very high	96.7	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	18%	0.183	C	C	.	.			trans	-116.9	-159.2	-176.9	0	0	0	0	0	113
81	P	95.1	Very high	96.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	18%	0.178	C	C	.	.			cis	-87.3	157.7	1.4	31.2	-28.6	0	0	0	113.6	L97 E98 I123 M125 I213 D215	P81-L97 CarbonylContact C-O 3.58Å; P81-L97 WeakPolarHBondContact CA-O 3.35Å; P81-E98 HydrophobicContact CB-CG 4.27Å; P81-I123 HydrophobicContact CB-CD1 4.22Å; P81-I123 HydrophobicContact CG-CB 4.19Å; P81-I123 HydrophobicContact CG-CD1 4.45Å; P81-I123 PolarHBondContact O-N 2.83Å; P81-M125 HydrophobicContact CG-CG 4.17Å; P81-M125 HydrophobicContact CG-SD 3.74Å; P81-I213 HydrophobicContact CB-CG2 3.96Å; P81-I213 HydrophobicContact CG-CG2 3.67Å; P81-D215 HydrophobicContact CG-CB 4.48Å
82	F	97.2	Very high	96.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153	173.9	-75	-100.3	0	0	0	110.9	Y40 I42 V77 C79 L97 L120 R121 P122 I123	Y40-F82 HydrophobicContact CD1-CE2 4.31Å; Y40-F82 HydrophobicContact CG-CZ 4.43Å; 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 3.87Å; I42-F82 HydrophobicContact CD1-CB 4.28Å; I42-F82 HydrophobicContact CD1-CD2 4.2Å; I42-F82 HydrophobicContact CD1-CG 4.15Å; I42-F82 HydrophobicContact CG2-CD1 3.99Å; I42-F82 HydrophobicContact CG2-CD2 4.13Å; I42-F82 HydrophobicContact CG2-CE1 3.59Å; I42-F82 HydrophobicContact CG2-CE2 3.74Å; I42-F82 HydrophobicContact CG2-CG 4.24Å; I42-F82 HydrophobicContact CG2-CZ 3.43Å; I42-F82 VanDerWaalsContact CG2-CZ 3.43Å; V77-F82 HydrophobicContact CG1-CD2 4.16Å; C79-F82 WeakPolarHBondContact O-CE2 3.41Å; F82-L97 HydrophobicContact CB-CB 4.25Å; F82-L97 PolarHBondContact N-O 3.01Å; F82-L97 PolarHBondContact O-N 3.17Å; F82-L120 HydrophobicContact CD1-CD1 4.03Å; F82-L120 HydrophobicContact CE1-CD1 4.42Å; F82-R121 WeakPolarHBondContact CA-O 3.45Å; F82-R121 VanDerWaalsContact CD1-C 3.5Å; F82-P122 HydrophobicContact CD1-CG 4.27Å; F82-P122 HydrophobicContact CE1-CB 4.47Å; F82-P122 HydrophobicContact CE1-CG 3.78Å; F82-P122 HydrophobicContact CZ-CG 4.35Å; F82-I123 WeakPolarHBondContact O-CD1 3.27Å
83	V	98.1	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.2	161.2	56.1	0	0	0	0	107.9	F85 M94 F95 I96 L120 R121 I123 L188	V83-F85 HydrophobicContact CB-CE2 4.38Å; V83-F85 HydrophobicContact CB-CZ 4.5Å; V83-F85 HydrophobicContact CG1-CE2 3.85Å; V83-F85 HydrophobicContact CG1-CZ 4Å; V83-F85 HydrophobicContact CG2-CE1 4.26Å; V83-F85 HydrophobicContact CG2-CE2 3.86Å; V83-F85 HydrophobicContact CG2-CZ 3.71Å; V83-M94 HydrophobicContact CG2-CB 4.13Å; V83-M94 HydrophobicContact CG2-CG 4.32Å; V83-F95 WeakPolarHBondContact CA-O 3.4Å; V83-I96 HydrophobicContact CB-CD1 4.14Å; V83-I96 HydrophobicContact CG2-CD1 3.95Å; V83-L120 CarbonylContact O-C 3.58Å; V83-L120 VanDerWaalsContact O-CA 3.25Å; V83-L120 WeakPolarHBondContact O-CA 3.36Å; V83-R121 HydrophobicContact CG1-CG 3.6Å; V83-R121 PolarHBondContact N-O 2.83Å; V83-R121 PolarHBondContact O-N 2.91Å; V83-I123 HydrophobicContact CB-CD1 4.01Å; V83-I123 HydrophobicContact CB-CG1 3.84Å; V83-I123 HydrophobicContact CG1-CG1 3.88Å; V83-L188 HydrophobicContact CB-CD2 4.03Å; V83-L188 HydrophobicContact CG1-CD2 3.79Å; V83-L188 HydrophobicContact CG2-CD2 4.31Å
84	A	98.4	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	159.4	173.2	0	0	0	0	0	110.6	M94 F95 L97 L117 S119 L120	A84-M94 CarbonylContact O-C 3.54Å; A84-M94 WeakPolarHBondContact O-CA 3.44Å; A84-F95 HydrophobicContact CB-CB 4.39Å; A84-F95 HydrophobicContact CB-CD2 4.3Å; A84-F95 PolarHBondContact N-O 2.89Å; A84-F95 PolarHBondContact O-N 3.29Å; A84-L97 HydrophobicContact CB-CD1 3.69Å; A84-L97 HydrophobicContact CB-CG 4.49Å; A84-L117 HydrophobicContact CB-CD1 3.57Å; A84-L117 HydrophobicContact CB-CD2 4.11Å; A84-L117 HydrophobicContact CB-CG 3.74Å; A84-S119 CarbonylContact C-O 3.53Å; A84-S119 WeakPolarHBondContact CA-O 3.42Å; A84-L120 HydrophobicContact CB-CB 3.94Å
85	F	98.4	Very high	96.8	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.1	-171.7	-61.8	-94.3	0	0	0	110.7	V83 Q87 F90 R91 E93 M94 L117 M118 S119 R121	V83-F85 HydrophobicContact CB-CE2 4.38Å; V83-F85 HydrophobicContact CB-CZ 4.5Å; V83-F85 HydrophobicContact CG1-CE2 3.85Å; V83-F85 HydrophobicContact CG1-CZ 4Å; V83-F85 HydrophobicContact CG2-CE1 4.26Å; V83-F85 HydrophobicContact CG2-CE2 3.86Å; V83-F85 HydrophobicContact CG2-CZ 3.71Å; F85-Q87 VanDerWaalsContact C-N 3.25Å; F85-Q87 PolarHBondContact O-N 3.13Å; F85-F90 HydrophobicContact CD1-CB 4.23Å; F85-F90 HydrophobicContact CD2-CB 3.88Å; F85-F90 AromaticContact CD2-CD1 3.69Å; F85-F90 HydrophobicContact CD2-CD1 3.69Å; F85-F90 HydrophobicContact CD2-CG 4.24Å; F85-F90 HydrophobicContact CE1-CB 4.02Å; F85-F90 HydrophobicContact CE2-CB 3.68Å; F85-F90 AromaticContact CE2-CD1 3.67Å; F85-F90 HydrophobicContact CE2-CD1 3.67Å; F85-F90 AromaticContact CE2-CG 3.99Å; F85-F90 HydrophobicContact CE2-CG 3.99Å; F85-F90 HydrophobicContact CG-CB 4.16Å; F85-F90 HydrophobicContact CZ-CB 3.76Å; F85-F90 HydrophobicContact CZ-CG 4.46Å; F85-R91 WeakPolarHBondContact CB-O 3.36Å; F85-E93 CarbonylContact C-O 3.57Å; F85-E93 VanDerWaalsContact CA-O 3.3Å; F85-E93 WeakPolarHBondContact CA-O 3.36Å; F85-M94 HydrophobicContact CD1-CG 3.92Å; F85-M94 HydrophobicContact CE1-CE 3.91Å; F85-M94 HydrophobicContact CE1-CG 3.66Å; F85-M94 HydrophobicContact CE1-SD 4.27Å; F85-L117 WeakPolarHBondContact O-CA 3.09Å; F85-M118 PolarHBondContact O-N 2.82Å; F85-S119 WeakPolarHBondContact CB-OG 3.47Å; F85-S119 PolarHBondContact N-O 3.48Å; F85-S119 PolarHBondContact O-N 3.11Å; F85-R121 HydrophobicContact CE2-CG 4.4Å
86	E	97.9	Very high	96.7	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.248	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	-40.6	176.2	178.2	-173.8	-160.8	0	0	112.7	E93 F95 S114 C116 M118	E86-E93 HydrophobicContact CB-CB 4.11Å; E86-E93 PolarHBondContact N-O 2.93Å; E86-E93 PolarHBondContact OE2-N 2.95Å; E86-F95 HydrophobicContact CB-CE2 4.41Å; E86-S114 WeakPolarHBondContact CG-OG 3.41Å; E86-S114 VanDerWaalsContact OE1-CB 3.28Å; E86-S114 WeakPolarHBondContact OE1-CB 3.36Å; E86-S114 PolarHBondContact OE1-OG 2.53Å; E86-C116 WeakPolarHBondContact CA-O 3.27Å; E86-C116 HydrophobicContact CG-CB 4.15Å; E86-M118 WeakPolarHBondContact O-CB 3.49Å; E86-M118 WeakPolarHBondContact O-CG 3.46Å
87	Q	97.9	Very high	96.7	Very high	92 Å²	92	31.2 Å²	31.2	43%	0.43	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	168.9	-173.4	-54.8	174	21	0	0	111.4	F85 R91 M118 S119	F85-Q87 VanDerWaalsContact C-N 3.25Å; F85-Q87 PolarHBondContact O-N 3.13Å; Q87-R91 HydrophobicContact CB-CB 3.99Å; Q87-R91 WeakPolarHBondContact CB-O 3.38Å; Q87-R91 PolarHBondContact N-O 3.28Å; Q87-M118 VanDerWaalsContact C-CB 3.45Å; Q87-S119 PolarHBondContact O-OG 3Å
88	T	98.1	Very high	96.5	Very high	51 Å²	51	33 Å²	33	31%	0.313	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	160.7	174.7	60.6	0	0	0	0	110.9	M62 N63 F90 M118	M62-T88 CarbonylContact O-C 3.53Å; M62-T88 WeakPolarHBondContact O-CA 3.47Å; M62-T88 WeakPolarHBondContact O-CB 3.39Å; N63-T88 HydrophobicContact CB-CG2 3.99Å; N63-T88 WeakPolarHBondContact OD1-CG2 3.25Å; T88-F90 VanDerWaalsContact C-N 3.28Å; T88-F90 PolarHBondContact O-N 2.91Å; T88-M118 HydrophobicContact CG2-CB 4.02Å
89	N	97.6	Very high	96.6	Very high	82 Å²	82	36.2 Å²	36.2	44%	0.439	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	36.6	176.6	-52.9	-73.3	0	0	0	114	M62	M62-N89 PolarHBondContact O-N 3.12Å
90	F	97.4	Very high	96.6	Very high	47 Å²	47	35 Å²	35	21%	0.206	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	46.9	175.1	-43	-49.2	0	0	0	113.8	E60 M62 F85 T88 S119 L120 R121	E60-F90 HydrophobicContact CB-CZ 3.91Å; E60-F90 HydrophobicContact CG-CZ 4.44Å; M62-F90 HydrophobicContact CE-CE2 4.19Å; M62-F90 HydrophobicContact CG-CE1 4.48Å; M62-F90 HydrophobicContact CG-CE2 3.94Å; M62-F90 HydrophobicContact CG-CZ 3.69Å; F85-F90 HydrophobicContact CD1-CB 4.23Å; F85-F90 HydrophobicContact CD2-CB 3.88Å; F85-F90 AromaticContact CD2-CD1 3.69Å; F85-F90 HydrophobicContact CD2-CD1 3.69Å; F85-F90 HydrophobicContact CD2-CG 4.24Å; F85-F90 HydrophobicContact CE1-CB 4.02Å; F85-F90 HydrophobicContact CE2-CB 3.68Å; F85-F90 AromaticContact CE2-CD1 3.67Å; F85-F90 HydrophobicContact CE2-CD1 3.67Å; F85-F90 AromaticContact CE2-CG 3.99Å; F85-F90 HydrophobicContact CE2-CG 3.99Å; F85-F90 HydrophobicContact CG-CB 4.16Å; F85-F90 HydrophobicContact CZ-CB 3.76Å; F85-F90 HydrophobicContact CZ-CG 4.46Å; T88-F90 VanDerWaalsContact C-N 3.28Å; T88-F90 PolarHBondContact O-N 2.91Å; F90-S119 WeakPolarHBondContact CA-OG 3.36Å; F90-S119 PolarHBondContact N-OG 2.81Å; F90-L120 WeakPolarHBondContact CE1-O 3.49Å; F90-R121 HydrophobicContact CE1-CB 4.23Å; F90-R121 HydrophobicContact CZ-CB 4.43Å
91	R	96.6	Very high	96.9	Very high	147 Å²	147	40.8 Å²	40.8	56%	0.555	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	162.7	-176.8	-64.1	-177.9	-174.1	-178.9	1.7	112.7	F85 Q87	F85-R91 WeakPolarHBondContact CB-O 3.36Å; Q87-R91 HydrophobicContact CB-CB 3.99Å; Q87-R91 WeakPolarHBondContact CB-O 3.38Å; Q87-R91 PolarHBondContact N-O 3.28Å
92	G	96	Very high	97	Very high	33 Å²	33	42.3 Å²	42.3	34%	0.34	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.4	-156.5	179.5	0	0	0	0	0	111.9
93	E	97.2	Very high	97.1	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	141.5	178.6	179.3	169.9	-164.1	0	0	112.2	F85 E86 F95 S111 Y185	F85-E93 CarbonylContact C-O 3.57Å; F85-E93 VanDerWaalsContact CA-O 3.3Å; F85-E93 WeakPolarHBondContact CA-O 3.36Å; E86-E93 HydrophobicContact CB-CB 4.11Å; E86-E93 PolarHBondContact N-O 2.93Å; E86-E93 PolarHBondContact OE2-N 2.95Å; E93-F95 HydrophobicContact CB-CE1 4.41Å; E93-F95 HydrophobicContact CB-CZ 4.19Å; E93-F95 VanDerWaalsContact CD-CE1 3.49Å; E93-F95 HydrophobicContact CG-CD1 4.29Å; E93-F95 HydrophobicContact CG-CE1 3.61Å; E93-F95 HydrophobicContact CG-CZ 3.89Å; E93-S111 WeakPolarHBondContact OE1-CB 3.3Å; E93-S111 PolarHBondContact OE1-OG 2.83Å; E93-S111 PolarHBondContact OE2-OG 3.12Å; E93-S111 VanDerWaalsContact OE2-OG 3.09Å; E93-Y185 HydrophobicContact CB-CD1 4.44Å; E93-Y185 HydrophobicContact CB-CE1 4.42Å; E93-Y185 HydrophobicContact CG-CD1 3.87Å; E93-Y185 HydrophobicContact CG-CE1 4.19Å; E93-Y185 WeakPolarHBondContact OE1-CD1 3.5Å
94	M	98.1	Very high	97.1	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.8	175.2	-60.1	178.7	-174.8	0	0	111.5	V83 A84 F85 L188 C201	V83-M94 HydrophobicContact CG2-CB 4.13Å; V83-M94 HydrophobicContact CG2-CG 4.32Å; A84-M94 CarbonylContact O-C 3.54Å; A84-M94 WeakPolarHBondContact O-CA 3.44Å; F85-M94 HydrophobicContact CD1-CG 3.92Å; F85-M94 HydrophobicContact CE1-CE 3.91Å; F85-M94 HydrophobicContact CE1-CG 3.66Å; F85-M94 HydrophobicContact CE1-SD 4.27Å; M94-L188 HydrophobicContact SD-CB 3.93Å; M94-C201 HydrophobicContact CE-CB 3.58Å
95	F	97.8	Very high	97	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.9	173	-44.9	-68.4	0	0	0	109.2	V83 A84 E86 E93 W108 C116	V83-F95 WeakPolarHBondContact CA-O 3.4Å; A84-F95 HydrophobicContact CB-CB 4.39Å; A84-F95 HydrophobicContact CB-CD2 4.3Å; A84-F95 PolarHBondContact N-O 2.89Å; A84-F95 PolarHBondContact O-N 3.29Å; E86-F95 HydrophobicContact CB-CE2 4.41Å; E93-F95 HydrophobicContact CB-CE1 4.41Å; E93-F95 HydrophobicContact CB-CZ 4.19Å; E93-F95 VanDerWaalsContact CD-CE1 3.49Å; E93-F95 HydrophobicContact CG-CD1 4.29Å; E93-F95 HydrophobicContact CG-CE1 3.61Å; E93-F95 HydrophobicContact CG-CZ 3.89Å; F95-W108 AromaticContact CD1-CD1 3.78Å; F95-W108 AromaticContact CG-CD1 3.71Å; F95-C116 WeakPolarHBondContact CE2-O 3.2Å
96	I	97.4	Very high	96.8	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.8	177.1	-53.2	-54.1	0	0	0	108.9	V83 I123 V175 Q186 L188 I213	V83-I96 HydrophobicContact CB-CD1 4.14Å; V83-I96 HydrophobicContact CG2-CD1 3.95Å; I96-I123 HydrophobicContact CD1-CD1 4.09Å; I96-I123 HydrophobicContact CG2-CD1 4.08Å; I96-V175 HydrophobicContact CG1-CB 4.06Å; I96-V175 HydrophobicContact CG1-CG2 3.68Å; I96-Q186 HydrophobicContact CG1-CB 4.48Å; I96-L188 HydrophobicContact CD1-CB 4.1Å; I96-L188 HydrophobicContact CD1-CD1 4.22Å; I96-I213 HydrophobicContact CD1-CD1 4.49Å; I96-I213 HydrophobicContact CG2-CD1 3.95Å; I96-I213 HydrophobicContact CG2-CG1 4.26Å; I96-I213 HydrophobicContact CG2-CG2 4.43Å
97	L	96.8	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	95.6	-172.8	-57.8	175.6	0	0	0	109.1	I42 I75 V77 P81 F82 A84 Y102 W108	I42-L97 HydrophobicContact CD1-CD1 3.82Å; I75-L97 HydrophobicContact CD1-CD1 3.88Å; I75-L97 HydrophobicContact CD1-CD2 4.35Å; I75-L97 HydrophobicContact CG2-CD1 4.45Å; V77-L97 HydrophobicContact CG2-CB 3.88Å; P81-L97 CarbonylContact C-O 3.58Å; P81-L97 WeakPolarHBondContact CA-O 3.35Å; F82-L97 HydrophobicContact CB-CB 4.25Å; F82-L97 PolarHBondContact N-O 3.01Å; F82-L97 PolarHBondContact O-N 3.17Å; A84-L97 HydrophobicContact CB-CD1 3.69Å; A84-L97 HydrophobicContact CB-CG 4.49Å; L97-Y102 HydrophobicContact CD2-CD1 4.5Å; L97-Y102 HydrophobicContact CD2-CD2 4.44Å; L97-Y102 HydrophobicContact CD2-CE1 4.26Å; L97-Y102 HydrophobicContact CD2-CE2 4.21Å; L97-W108 HydrophobicContact CD2-CB 3.54Å; L97-W108 HydrophobicContact CD2-CG 4.3Å
98	E	94.4	Very high	96.6	Very high	39 Å²	39	48.8 Å²	48.8	18%	0.182	24%	0.238	C	C	.	.			trans	-81.4	171.4	173	-72.1	166.7	132.3	0	0	110.1	V77 P81 G100 Y102 R211 I213 R214	V77-E98 VanDerWaalsContact CB-O 3.27Å; V77-E98 WeakPolarHBondContact CB-O 3.33Å; V77-E98 WeakPolarHBondContact CG2-O 3.45Å; P81-E98 HydrophobicContact CB-CG 4.27Å; E98-G100 PolarHBondContact O-N 3.23Å; E98-Y102 PolarHBondContact N-OH 2.59Å; E98-Y102 VanDerWaalsContact N-OH 3.08Å; E98-Y102 WeakPolarHBondContact O-CE2 3.33Å; E98-Y102 PolarHBondContact O-OH 3.25Å; E98-R211 IonicContact OE1-CZ 2.83Å; E98-R211 IonicContact OE1-NH1 3.1Å; E98-R211 PolarHBondContact OE1-NH1 2.96Å; E98-R211 IonicContact OE1-NH2 2.68Å; E98-R211 IonicContact OE2-CZ 3.87Å; E98-R211 IonicContact OE2-NH1 2.85Å; E98-R211 PolarHBondContact OE2-NH1 3.1Å; E98-R211 VanDerWaalsContact OE2-NH1 3.11Å; E98-R211 IonicContact OE2-NH2 2.95Å; E98-R211 PolarHBondContact OE2-NH2 2.75Å; E98-I213 HydrophobicContact CG-CG2 4.37Å; E98-R214 PolarHBondContact OE1-N 2.81Å
99	K	93.6	Very high	96.4	Very high	123 Å²	123	46.3 Å²	46.3	54%	0.535	22%	0.223	S	C	.	.	S	Bend	trans	-57.2	125.4	178.2	-179.3	177.2	177.4	-178.7	0	110.2	V77 E78 M216	V77-K99 WeakPolarHBondContact O-CA 3.46Å; V77-K99 WeakPolarHBondContact O-CG 3.26Å; E78-K99 WeakPolarHBondContact O-CD 3.38Å; E78-K99 WeakPolarHBondContact O-CE 3.48Å; K99-M216 HydrophobicContact CB-CE 4.41Å; K99-M216 HydrophobicContact CD-CE 3.74Å; K99-M216 HydrophobicContact CG-CE 4.44Å
100	G	93.8	Very high	96.2	Very high	15 Å²	15	45.2 Å²	45.2	16%	0.155	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-173.7	-177.6	0	0	0	0	0	113.8	V77 E98	V77-G100 PolarHBondContact N-O 3.04Å; V77-G100 PolarHBondContact O-N 3.38Å; E98-G100 PolarHBondContact O-N 3.23Å
101	E	97.3	Very high	96	Very high	127 Å²	127	43.9 Å²	43.9	59%	0.593	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	-178.2	-72.7	-176.8	-168.3	0	0	109.8	F50 I76	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 4.2Å; I76-E101 HydrophobicContact CG1-CG 4.35Å; I76-E101 HydrophobicContact CG2-CG 4.41Å
102	Y	98	Very high	95.8	Very high	33 Å²	33	43.8 Å²	43.8	13%	0.129	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	87.8	-179.3	-58.2	-92.7	0	0	0	108.9	S74 I75 V77 L97 E98 R104 T107 W108	S74-Y102 CarbonylContact C-O 3.54Å; S74-Y102 VanDerWaalsContact CA-O 3.3Å; S74-Y102 WeakPolarHBondContact CA-O 3.3Å; S74-Y102 WeakPolarHBondContact CB-O 3.37Å; I75-Y102 HydrophobicContact CB-CD2 4.36Å; I75-Y102 HydrophobicContact CG2-CD2 4.33Å; I75-Y102 PolarHBondContact N-O 3.37Å; I75-Y102 PolarHBondContact O-N 3.04Å; V77-Y102 HydrophobicContact CG2-CD2 4.4Å; V77-Y102 HydrophobicContact CG2-CE2 3.94Å; L97-Y102 HydrophobicContact CD2-CD1 4.5Å; L97-Y102 HydrophobicContact CD2-CD2 4.44Å; L97-Y102 HydrophobicContact CD2-CE1 4.26Å; L97-Y102 HydrophobicContact CD2-CE2 4.21Å; E98-Y102 PolarHBondContact N-OH 2.59Å; E98-Y102 VanDerWaalsContact N-OH 3.08Å; E98-Y102 WeakPolarHBondContact O-CE2 3.33Å; E98-Y102 PolarHBondContact O-OH 3.25Å; Y102-R104 PolarHBondContact O-N 3.34Å; Y102-T107 VanDerWaalsContact CA-OG1 3.25Å; Y102-T107 WeakPolarHBondContact CA-OG1 3.36Å; Y102-T107 WeakPolarHBondContact CB-OG1 3.24Å; Y102-T107 WeakPolarHBondContact CD1-O 3.46Å; Y102-W108 HydrophobicContact CD1-CB 3.91Å; Y102-W108 HydrophobicContact CE1-CB 4.34Å
103	P	97.7	Very high	95.8	Very high	34 Å²	34	50.7 Å²	50.7	22%	0.221	23%	0.23	C	C	.	.			trans	-70.9	-15.4	-168.6	26.7	-35.6	0	0	0	114.4	E48 N49 F50 S74 T107	E48-P103 WeakPolarHBondContact CA-O 3.09Å; N49-P103 PolarHBondContact N-O 3Å; F50-P103 HydrophobicContact CE1-CB 4.41Å; F50-P103 HydrophobicContact CE2-CB 4.26Å; F50-P103 HydrophobicContact CZ-CB 3.78Å; S74-P103 WeakPolarHBondContact CB-O 3.34Å; P103-T107 HydrophobicContact CG-CG2 4.08Å
104	R	97.7	Very high	95.6	Very high	94 Å²	94	50.6 Å²	50.6	36%	0.355	23%	0.231	S	C	.	.	S	Bend	trans	-153	164.1	-178.7	-62.8	-167.7	-55.2	-90	-4.4	111.9	E48 R73 Y102 D106 T107 W108	E48-R104 HydrophobicContact CB-CG 4.15Å; E48-R104 HydrophobicContact CG-CG 3.96Å; E48-R104 WeakPolarHBondContact OE2-CD 3.41Å; E48-R104 WeakPolarHBondContact OE2-CG 3.46Å; R73-R104 WeakPolarHBondContact O-CA 3.37Å; Y102-R104 PolarHBondContact O-N 3.34Å; R104-D106 VanDerWaalsContact C-N 3.31Å; R104-D106 WeakPolarHBondContact CB-OD1 3.44Å; R104-D106 IonicContact CZ-OD1 2.76Å; R104-D106 IonicContact CZ-OD2 3.83Å; R104-D106 IonicContact NE-OD1 3.87Å; R104-D106 PolarHBondContact NE-OD1 2.98Å; R104-D106 IonicContact NE-OD2 3.87Å; R104-D106 IonicContact NH2-OD1 3.89Å; R104-D106 IonicContact NH2-OD2 3.11Å; R104-D106 PolarHBondContact NH2-OD2 2.79Å; R104-D106 PolarHBondContact O-N 3.21Å; R104-T107 HydrophobicContact CB-CG2 4.43Å; R104-T107 WeakPolarHBondContact O-CB 3.25Å; R104-T107 PolarHBondContact O-N 3.23Å; R104-T107 PolarHBondContact O-OG1 3.16Å; R104-W108 VanDerWaalsContact C-CZ3 3.47Å; R104-W108 VanDerWaalsContact O-CE3 3.26Å; R104-W108 WeakPolarHBondContact O-CZ3 3.26Å
105	W	97	Very high	95.4	Very high	70 Å²	70	52.1 Å²	52.1	27%	0.265	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-62.2	-33.4	-176.5	77.7	-84.9	0	0	0	115.2	T107 W108 S109 Y112 S114 D115	W105-T107 PolarHBondContact O-N 3.43Å; W105-T107 VanDerWaalsContact O-N 3.17Å; W105-W108 VanDerWaalsContact CA-CE2 3.45Å; W105-W108 VanDerWaalsContact CA-CH2 3.41Å; W105-W108 HydrophobicContact CB-CH2 3.76Å; W105-W108 HydrophobicContact CB-CZ2 3.41Å; W105-W108 VanDerWaalsContact CB-CZ2 3.41Å; W105-W108 HydrophobicContact CB-CZ3 4.44Å; W105-W108 PolarHBondContact O-N 2.89Å; W105-S109 WeakPolarHBondContact O-CB 3.41Å; W105-S109 PolarHBondContact O-N 3.33Å; W105-S109 VanDerWaalsContact O-N 3.12Å; W105-Y112 HydrophobicContact CH2-CD1 4.13Å; W105-S114 VanDerWaalsContact CE3-O 3.32Å; W105-S114 WeakPolarHBondContact CZ3-O 3.36Å; W105-D115 HydrophobicContact CB-CB 4.14Å; W105-D115 HydrophobicContact CD2-CB 3.63Å; W105-D115 HydrophobicContact CE3-CB 3.94Å; W105-D115 HydrophobicContact CG-CB 3.69Å
106	D	94.8	Very high	95.3	Very high	40 Å²	40	53.9 Å²	53.9	21%	0.214	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.7	-10.2	176	58.5	-50.8	0	0	0	113.1	R104 Y112	R104-D106 VanDerWaalsContact C-N 3.31Å; R104-D106 WeakPolarHBondContact CB-OD1 3.44Å; R104-D106 IonicContact CZ-OD1 2.76Å; R104-D106 IonicContact CZ-OD2 3.83Å; R104-D106 IonicContact NE-OD1 3.87Å; R104-D106 PolarHBondContact NE-OD1 2.98Å; R104-D106 IonicContact NE-OD2 3.87Å; R104-D106 IonicContact NH2-OD1 3.89Å; R104-D106 IonicContact NH2-OD2 3.11Å; R104-D106 PolarHBondContact NH2-OD2 2.79Å; R104-D106 PolarHBondContact O-N 3.21Å; D106-Y112 HydrophobicContact CB-CD1 4.35Å; D106-Y112 HydrophobicContact CB-CE1 3.7Å
107	T	95.7	Very high	95.4	Very high	48 Å²	48	53.6 Å²	53.6	29%	0.294	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-89.6	-18.4	177.8	68.4	0	0	0	0	113.7	Y102 P103 R104 W105	Y102-T107 VanDerWaalsContact CA-OG1 3.25Å; Y102-T107 WeakPolarHBondContact CA-OG1 3.36Å; Y102-T107 WeakPolarHBondContact CB-OG1 3.24Å; Y102-T107 WeakPolarHBondContact CD1-O 3.46Å; P103-T107 HydrophobicContact CG-CG2 4.08Å; R104-T107 HydrophobicContact CB-CG2 4.43Å; R104-T107 WeakPolarHBondContact O-CB 3.25Å; R104-T107 PolarHBondContact O-N 3.23Å; R104-T107 PolarHBondContact O-OG1 3.16Å; W105-T107 PolarHBondContact O-N 3.43Å; W105-T107 VanDerWaalsContact O-N 3.17Å
108	W	95.3	Very high	95.4	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.011	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-20.7	172.8	64.8	72.9	0	0	0	113.8	V72 I75 F95 L97 Y102 R104 W105 Q186	V72-W108 HydrophobicContact CG1-CH2 4.31Å; I75-W108 HydrophobicContact CD1-CD2 3.96Å; I75-W108 HydrophobicContact CD1-CE3 3.7Å; I75-W108 HydrophobicContact CD1-CH2 4.25Å; I75-W108 HydrophobicContact CD1-CZ2 4.47Å; I75-W108 HydrophobicContact CD1-CZ3 3.87Å; I75-W108 HydrophobicContact CG1-CE3 4.06Å; I75-W108 HydrophobicContact CG1-CH2 4.34Å; I75-W108 HydrophobicContact CG1-CZ3 3.84Å; F95-W108 AromaticContact CD1-CD1 3.78Å; F95-W108 AromaticContact CG-CD1 3.71Å; L97-W108 HydrophobicContact CD2-CB 3.54Å; L97-W108 HydrophobicContact CD2-CG 4.3Å; Y102-W108 HydrophobicContact CD1-CB 3.91Å; Y102-W108 HydrophobicContact CE1-CB 4.34Å; R104-W108 VanDerWaalsContact C-CZ3 3.47Å; R104-W108 VanDerWaalsContact O-CE3 3.26Å; R104-W108 WeakPolarHBondContact O-CZ3 3.26Å; W105-W108 VanDerWaalsContact CA-CE2 3.45Å; W105-W108 VanDerWaalsContact CA-CH2 3.41Å; W105-W108 HydrophobicContact CB-CH2 3.76Å; W105-W108 HydrophobicContact CB-CZ2 3.41Å; W105-W108 VanDerWaalsContact CB-CZ2 3.41Å; W105-W108 HydrophobicContact CB-CZ3 4.44Å; W105-W108 PolarHBondContact O-N 2.89Å; W108-Q186 PolarHBondContact O-NE2 3.04Å; W108-Q186 VanDerWaalsContact O-NE2 3.12Å
109	S	94.6	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.251	C	S	.	.			trans	-92.5	115.8	178.1	-178.9	0	0	0	0	111.3	W105 Y112	W105-S109 WeakPolarHBondContact O-CB 3.41Å; W105-S109 PolarHBondContact O-N 3.33Å; W105-S109 VanDerWaalsContact O-N 3.12Å; S109-Y112 PolarHBondContact OG-N 3.11Å
110	N	92.4	Very high	95.9	Very high	58 Å²	58	47.9 Å²	47.9	31%	0.31	23%	0.226	S	C	.	.	S	Bend	trans	-89.7	-4.9	175.4	-74.5	5.8	0	0	0	113.2	Y182 G184	N110-Y182 PolarHBondContact ND2-O 3.33Å; N110-G184 CarbonylContact C-O 3.6Å; N110-G184 WeakPolarHBondContact CB-O 3.38Å; N110-G184 WeakPolarHBondContact O-CA 3.37Å; N110-G184 PolarHBondContact O-N 3.37Å
111	S	93.5	Very high	96.1	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.14	23%	0.227	C	C	.	.	S	Bend	trans	-101.9	-22.8	-179.1	79.8	0	0	0	0	113.5	E93 R113	E93-S111 WeakPolarHBondContact OE1-CB 3.3Å; E93-S111 PolarHBondContact OE1-OG 2.83Å; E93-S111 PolarHBondContact OE2-OG 3.12Å; E93-S111 VanDerWaalsContact OE2-OG 3.09Å; S111-R113 PolarHBondContact O-N 3.29Å; S111-R113 WeakPolarHBondContact OG-CB 3.45Å; S111-R113 WeakPolarHBondContact OG-CG 3.44Å; S111-R113 PolarHBondContact OG-N 2.81Å; S111-R113 VanDerWaalsContact OG-N 3.13Å
112	Y	93.7	Very high	96.1	Very high	145 Å²	145	44.6 Å²	44.6	57%	0.569	21%	0.206	S	C	*	.			trans	58	26.3	-172.6	-64.9	-102.2	0	0	0	113.8	W105 D106 S109	W105-Y112 HydrophobicContact CH2-CD1 4.13Å; D106-Y112 HydrophobicContact CB-CD1 4.35Å; D106-Y112 HydrophobicContact CB-CE1 3.7Å; S109-Y112 PolarHBondContact OG-N 3.11Å
113	R	94.6	Very high	95.9	Very high	177 Å²	177	43 Å²	43	67%	0.668	20%	0.2	S	C	*	.	S	Bend	trans	-94.4	-29.6	-175.6	-61.2	-62.8	-69.1	-116.3	-6.1	114.3	S111 Y185	S111-R113 PolarHBondContact O-N 3.29Å; S111-R113 WeakPolarHBondContact OG-CB 3.45Å; S111-R113 WeakPolarHBondContact OG-CG 3.44Å; S111-R113 PolarHBondContact OG-N 2.81Å; S111-R113 VanDerWaalsContact OG-N 3.13Å; R113-Y185 HydrophobicContact CB-CE1 4.33Å; R113-Y185 HydrophobicContact CG-CE1 4.1Å
114	S	92.9	Very high	95.6	Very high	13 Å²	13	49.1 Å²	49.1	9%	0.091	22%	0.218	C	C	.	.			trans	-146.1	138.1	-177.8	-160.9	0	0	0	0	111.1	E86 W105 C116	E86-S114 WeakPolarHBondContact CG-OG 3.41Å; E86-S114 VanDerWaalsContact OE1-CB 3.28Å; E86-S114 WeakPolarHBondContact OE1-CB 3.36Å; E86-S114 PolarHBondContact OE1-OG 2.53Å; W105-S114 VanDerWaalsContact CE3-O 3.32Å; W105-S114 WeakPolarHBondContact CZ3-O 3.36Å; S114-C116 PolarHBondContact OG-N 3.14Å
115	D	94.2	Very high	95.1	Very high	48 Å²	48	45.6 Å²	45.6	26%	0.257	21%	0.206	S	C	.	.			trans	-94.8	-0.2	170.6	74	-27.1	0	0	0	112.2	R71 W105	R71-D115 IonicContact CZ-OD2 3.89Å; R71-D115 IonicContact NH1-OD2 2.85Å; R71-D115 PolarHBondContact NH1-OD2 3.31Å; W105-D115 HydrophobicContact CB-CB 4.14Å; W105-D115 HydrophobicContact CD2-CB 3.63Å; W105-D115 HydrophobicContact CE3-CB 3.94Å; W105-D115 HydrophobicContact CG-CB 3.69Å
116	C	96.8	Very high	94.5	Very high	37 Å²	37	44 Å²	44	25%	0.25	20%	0.203	C	C	.	.			trans	-82.6	138.9	-176.7	-69.4	0	0	0	0	111.6	E86 F95 S114 M118	E86-C116 WeakPolarHBondContact CA-O 3.27Å; E86-C116 HydrophobicContact CG-CB 4.15Å; F95-C116 WeakPolarHBondContact CE2-O 3.2Å; S114-C116 PolarHBondContact OG-N 3.14Å; C116-M118 HydrophobicContact CB-CE 4.45Å
117	L	98.1	Very high	94	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.226	C	C	.	.			trans	-140	111.6	170	-173.4	167.5	0	0	0	107.2	V64 V72 I75 A84 F85 L120	V64-L117 HydrophobicContact CG1-CD2 4.42Å; V64-L117 WeakPolarHBondContact CG2-O 3.41Å; V72-L117 HydrophobicContact CB-CB 4.31Å; V72-L117 HydrophobicContact CG1-CD1 4.48Å; V72-L117 HydrophobicContact CG2-CD2 4.29Å; I75-L117 HydrophobicContact CD1-CD1 3.47Å; I75-L117 VanDerWaalsContact CD1-CD1 3.47Å; A84-L117 HydrophobicContact CB-CD1 3.57Å; A84-L117 HydrophobicContact CB-CD2 4.11Å; A84-L117 HydrophobicContact CB-CG 3.74Å; F85-L117 WeakPolarHBondContact O-CA 3.09Å; L117-L120 HydrophobicContact CD2-CD2 4.36Å
118	M	98.3	Very high	93.6	Very high	42 Å²	42	48.9 Å²	48.9	21%	0.207	23%	0.234	C	C	.	.			trans	-120.1	-20	-168.7	-66.3	-65.3	176.6	0	0	113.6	N63 V64 F85 E86 Q87 T88 C116	N63-M118 CarbonylContact C-O 3.6Å; N63-M118 VanDerWaalsContact CA-O 3.27Å; N63-M118 WeakPolarHBondContact CA-O 3.22Å; V64-M118 HydrophobicContact CG2-SD 4.31Å; V64-M118 PolarHBondContact N-O 3.5Å; F85-M118 PolarHBondContact O-N 2.82Å; E86-M118 WeakPolarHBondContact O-CB 3.49Å; E86-M118 WeakPolarHBondContact O-CG 3.46Å; Q87-M118 VanDerWaalsContact C-CB 3.45Å; T88-M118 HydrophobicContact CG2-CB 4.02Å; C116-M118 HydrophobicContact CB-CE 4.45Å
119	S	98.6	Very high	93.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.3	174.2	64.4	0	0	0	0	111.7	C61 M62 A84 F85 Q87 F90	C61-S119 CarbonylContact O-C 3.54Å; C61-S119 WeakPolarHBondContact O-CA 3.37Å; C61-S119 WeakPolarHBondContact O-CB 3.26Å; M62-S119 VanDerWaalsContact O-CB 3.26Å; M62-S119 WeakPolarHBondContact O-CB 3.2Å; A84-S119 CarbonylContact C-O 3.53Å; A84-S119 WeakPolarHBondContact CA-O 3.42Å; F85-S119 WeakPolarHBondContact CB-OG 3.47Å; F85-S119 PolarHBondContact N-O 3.48Å; F85-S119 PolarHBondContact O-N 3.11Å; Q87-S119 PolarHBondContact O-OG 3Å; F90-S119 WeakPolarHBondContact CA-OG 3.36Å; F90-S119 PolarHBondContact N-OG 2.81Å
120	L	98.6	Very high	93.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	156.4	-179.3	65.7	158	0	0	0	112	I42 L44 V57 E60 C61 V64 F82 V83 A84 F90 L117	I42-L120 HydrophobicContact CD1-CD1 3.93Å; I42-L120 HydrophobicContact CG2-CD1 3.63Å; L44-L120 HydrophobicContact CD1-CD1 4.38Å; L44-L120 HydrophobicContact CD1-CD2 3.91Å; V57-L120 HydrophobicContact CB-CD1 4.39Å; V57-L120 HydrophobicContact CG1-CD1 4.22Å; V57-L120 HydrophobicContact CG1-CG 4.4Å; E60-L120 CarbonylContact C-O 3.49Å; E60-L120 WeakPolarHBondContact CA-O 3.29Å; C61-L120 HydrophobicContact CB-CD2 3.83Å; C61-L120 HydrophobicContact CB-CG 4.4Å; C61-L120 PolarHBondContact N-O 2.69Å; C61-L120 PolarHBondContact O-N 2.93Å; V64-L120 HydrophobicContact CG1-CD2 3.69Å; F82-L120 HydrophobicContact CD1-CD1 4.03Å; F82-L120 HydrophobicContact CE1-CD1 4.42Å; V83-L120 CarbonylContact O-C 3.58Å; V83-L120 VanDerWaalsContact O-CA 3.25Å; V83-L120 WeakPolarHBondContact O-CA 3.36Å; A84-L120 HydrophobicContact CB-CB 3.94Å; F90-L120 WeakPolarHBondContact CE1-O 3.49Å; L117-L120 HydrophobicContact CD2-CD2 4.36Å
121	R	98.1	Very high	93.6	Very high	51 Å²	51	54.6 Å²	54.6	19%	0.192	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.3	170.9	64.2	170.9	-175.2	85.1	-9.2	111.6	E60 F82 V83 F85 F90 E190	E60-R121 HydrophobicContact CB-CB 3.71Å; F82-R121 WeakPolarHBondContact CA-O 3.45Å; F82-R121 VanDerWaalsContact CD1-C 3.5Å; V83-R121 HydrophobicContact CG1-CG 3.6Å; V83-R121 PolarHBondContact N-O 2.83Å; V83-R121 PolarHBondContact O-N 2.91Å; F85-R121 HydrophobicContact CE2-CG 4.4Å; F90-R121 HydrophobicContact CE1-CB 4.23Å; F90-R121 HydrophobicContact CZ-CB 4.43Å; R121-E190 IonicContact CZ-OE1 3.04Å; R121-E190 IonicContact NH1-OE1 3.58Å; R121-E190 PolarHBondContact NH1-OE1 2.95Å; R121-E190 IonicContact NH1-OE2 3.04Å; R121-E190 IonicContact NH2-OE1 3.57Å; R121-E190 PolarHBondContact NH2-OE1 2.78Å; R121-E190 IonicContact NH2-OE2 3.77Å; R121-E190 PolarHBondContact NH2-OE2 2.87Å
122	P	96.8	Very high	93.8	Very high	22 Å²	22	53.7 Å²	53.7	14%	0.143	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	144.2	165.1	-23.3	33.8	0	0	0	111.6	Y40 F82	Y40-P122 HydrophobicContact CD1-CB 3.89Å; Y40-P122 HydrophobicContact CD1-CG 4.44Å; Y40-P122 HydrophobicContact CD2-CB 3.61Å; Y40-P122 HydrophobicContact CD2-CG 3.78Å; Y40-P122 HydrophobicContact CE1-CB 3.82Å; Y40-P122 HydrophobicContact CE2-CB 3.51Å; Y40-P122 HydrophobicContact CE2-CG 4.16Å; Y40-P122 HydrophobicContact CG-CB 3.78Å; Y40-P122 HydrophobicContact CG-CG 3.92Å; F82-P122 HydrophobicContact CD1-CG 4.27Å; F82-P122 HydrophobicContact CE1-CB 4.47Å; F82-P122 HydrophobicContact CE1-CG 3.78Å; F82-P122 HydrophobicContact CZ-CG 4.35Å
123	I	95.6	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-85.8	133	171.2	-62.8	174.9	0	0	0	108.2	Y40 P81 F82 V83 I96 M125 A173 L188 E190 I213	Y40-I123 PolarHBondContact OH-O 3.49Å; P81-I123 HydrophobicContact CB-CD1 4.22Å; P81-I123 HydrophobicContact CG-CB 4.19Å; P81-I123 HydrophobicContact CG-CD1 4.45Å; P81-I123 PolarHBondContact O-N 2.83Å; F82-I123 WeakPolarHBondContact O-CD1 3.27Å; V83-I123 HydrophobicContact CB-CD1 4.01Å; V83-I123 HydrophobicContact CB-CG1 3.84Å; V83-I123 HydrophobicContact CG1-CG1 3.88Å; I96-I123 HydrophobicContact CD1-CD1 4.09Å; I96-I123 HydrophobicContact CG2-CD1 4.08Å; I123-M125 HydrophobicContact CG2-SD 3.99Å; I123-M125 PolarHBondContact O-N 2.87Å; I123-A173 HydrophobicContact CG2-CB 4.26Å; I123-L188 HydrophobicContact CD1-CD1 3.98Å; I123-L188 HydrophobicContact CD1-CD2 4.38Å; I123-L188 HydrophobicContact CG1-CD1 4.39Å; I123-L188 HydrophobicContact CG1-CD2 4.08Å; I123-L188 HydrophobicContact CG2-CD1 3.98Å; I123-L188 HydrophobicContact CG2-CD2 4.4Å; I123-E190 HydrophobicContact CG2-CG 4.26Å; I123-I213 HydrophobicContact CD1-CD1 3.99Å
124	R	90.7	Very high	94.2	Very high	161 Å²	161	38.7 Å²	38.7	61%	0.608	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-72.6	117.7	175.4	-66.3	-179.2	-67.3	174.8	2.5	108.6	E190	R124-E190 IonicContact CZ-OE2 3.33Å; R124-E190 PolarHBondContact N-OE1 2.99Å; R124-E190 IonicContact NE-OE1 3.97Å; R124-E190 IonicContact NE-OE2 3.69Å; R124-E190 PolarHBondContact NE-OE2 3.46Å; R124-E190 IonicContact NH2-OE2 3.01Å; R124-E190 PolarHBondContact NH2-OE2 3.29Å
125	M	87.3	Confident	94.5	Very high	21 Å²	21	39 Å²	39	10%	0.103	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-103.6	149.7	174	-57.1	-59	-67.3	0	0	108.9	P81 I123 A173 I213 D215	P81-M125 HydrophobicContact CG-CG 4.17Å; P81-M125 HydrophobicContact CG-SD 3.74Å; I123-M125 HydrophobicContact CG2-SD 3.99Å; I123-M125 PolarHBondContact O-N 2.87Å; M125-A173 HydrophobicContact CE-CB 4.12Å; M125-A173 HydrophobicContact SD-CB 3.74Å; M125-I213 HydrophobicContact CE-CG2 4.46Å; M125-I213 WeakPolarHBondContact CE-O 3.24Å; M125-I213 HydrophobicContact SD-CG2 4.35Å; M125-D215 HydrophobicContact CE-CB 4.05Å; M125-D215 HydrophobicContact CG-CB 4.15Å
126	D	84.7	Confident	94.7	Very high	37 Å²	37	39 Å²	39	20%	0.198	19%	0.194	C	C	.	.			trans	-129.5	167.6	171.4	58.8	66	0	0	0	110	L128 G172 C191	D126-L128 VanDerWaalsContact C-N 3.31Å; D126-L128 HydrophobicContact CB-CG 4.39Å; D126-L128 WeakPolarHBondContact OD1-CB 3.44Å; D126-L128 PolarHBondContact OD1-N 2.85Å; D126-G172 PolarHBondContact OD1-N 3.04Å; D126-G172 PolarHBondContact OD2-N 3.07Å; D126-C191 PolarHBondContact OD2-SG 3.38Å
127	S	84	Confident	94.8	Very high	99 Å²	99	40.3 Å²	40.3	69%	0.692	20%	0.198	S	C	*	.	S	Bend	trans	-92.1	10.8	178.3	56.9	0	0	0	0	113
128	L	87.8	Confident	94.8	Very high	90 Å²	90	41.6 Å²	41.6	47%	0.471	21%	0.207	S	C	.	.	S	Bend	trans	-77.1	155.6	-180	-54.6	175.2	0	0	0	110.1	D126 H130	D126-L128 VanDerWaalsContact C-N 3.31Å; D126-L128 HydrophobicContact CB-CG 4.39Å; D126-L128 WeakPolarHBondContact OD1-CB 3.44Å; D126-L128 PolarHBondContact OD1-N 2.85Å; L128-H130 PolarHBondContact O-N 3.1Å
129	E	89.7	Confident	94.8	Very high	126 Å²	126	43.8 Å²	43.8	59%	0.589	22%	0.22	S	C	*	.			trans	-58	137.7	169.9	-67.3	-175.9	-179.3	0	0	110.4	K131 Q148 E149 G171	E129-K131 PolarHBondContact O-N 3.08Å; E129-K131 VanDerWaalsContact O-N 3.1Å; E129-Q148 PolarHBondContact OE2-NE2 3.1Å; E129-Q148 VanDerWaalsContact OE2-NE2 3.08Å; E129-E149 VanDerWaalsContact CA-OE1 3.32Å; E129-E149 WeakPolarHBondContact CA-OE1 3.34Å; E129-G171 CarbonylContact O-C 3.32Å; E129-G171 WeakPolarHBondContact O-CA 3.43Å
130	H	93.5	Very high	94.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.229	C	C	.	.			trans	-66.9	112.7	176.5	-80.3	81.4	0	0	0	109.2	L128 Q148 E149 A173 W174 R212 H219	L128-H130 PolarHBondContact O-N 3.1Å; H130-Q148 WeakPolarHBondContact O-CA 3.44Å; H130-E149 PolarHBondContact N-OE1 2.72Å; H130-E149 PolarHBondContact O-N 3.47Å; H130-A173 PolarHBondContact NE2-N 2.95Å; H130-A173 PolarHBondContact NE2-O 2.93Å; H130-W174 VanDerWaalsContact C-CZ2 3.46Å; H130-W174 HydrophobicContact CB-CH2 4.25Å; H130-W174 HydrophobicContact CB-CZ2 3.6Å; H130-W174 AromaticContact CD2-NE1 3.99Å; H130-R212 HydrophobicContact CB-CG 3.86Å; H130-R212 VanDerWaalsContact CD2-CG 3.47Å; H130-R212 WeakPolarHBondContact CD2-CG 3.03Å; H130-H219 AromaticContact CE1-CD2 3.44Å; H130-H219 PolarHBondContact CE1-CD2 2.68Å; H130-H219 VanDerWaalsContact CE1-CD2 3.44Å; H130-H219 AromaticContact CE1-CE1 3.38Å; H130-H219 PolarHBondContact CE1-CE1 3.13Å; H130-H219 AromaticContact CE1-CG 3.66Å; H130-H219 AromaticContact CE1-ND1 3.61Å; H130-H219 AromaticContact CE1-NE2 3.25Å; H130-H219 PolarHBondContact CE1-NE2 3.07Å; H130-H219 AromaticContact ND1-CD2 3.56Å; H130-H219 AromaticContact ND1-CE1 3.94Å; H130-H219 AromaticContact ND1-NE2 3.35Å; H130-H219 PolarHBondContact ND1-NE2 3.5Å
131	K	97.3	Very high	94.8	Very high	55 Å²	55	51.8 Å²	51.8	24%	0.239	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.9	172.9	-173.9	168.8	-178	146.3	0	111	E129 E146 I147 P170 G171 W174	E129-K131 PolarHBondContact O-N 3.08Å; E129-K131 VanDerWaalsContact O-N 3.1Å; K131-E146 WeakPolarHBondContact CE-OE1 3.5Å; K131-E146 IonicContact NZ-OE1 2.68Å; K131-E146 PolarHBondContact NZ-OE1 2.88Å; K131-E146 IonicContact NZ-OE2 3.83Å; K131-I147 WeakPolarHBondContact CA-O 3.48Å; K131-P170 HydrophobicContact CB-CB 4.43Å; K131-P170 HydrophobicContact CB-CG 4.5Å; K131-P170 HydrophobicContact CD-CB 4.46Å; K131-P170 HydrophobicContact CD-CG 4.25Å; K131-P170 HydrophobicContact CG-CG 4.16Å; K131-P170 WeakPolarHBondContact O-CD 3.5Å; K131-G171 PolarHBondContact N-O 3.08Å; K131-G171 VanDerWaalsContact O-O 3.1Å; K131-W174 PolarHBondContact O-NE1 2.77Å
132	I	98.4	Very high	94.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.5	174.7	-171.1	167.1	0	0	0	110.7	L134 E146 I147 V167 V169 W174 F189 M210	I132-L134 HydrophobicContact CD1-CD2 3.94Å; I132-L134 HydrophobicContact CG1-CD2 3.91Å; I132-E146 WeakPolarHBondContact O-CA 3.43Å; I132-I147 HydrophobicContact CG2-CB 3.77Å; I132-I147 HydrophobicContact CG2-CD1 4.26Å; I132-I147 HydrophobicContact CG2-CG1 4.35Å; I132-I147 PolarHBondContact N-O 3.23Å; I132-I147 PolarHBondContact O-N 3.21Å; I132-V167 HydrophobicContact CD1-CG1 3.65Å; I132-V167 HydrophobicContact CG1-CG1 3.65Å; I132-V169 HydrophobicContact CD1-CG2 4.08Å; I132-V169 HydrophobicContact CG1-CG2 4.1Å; I132-W174 HydrophobicContact CB-CD2 3.96Å; I132-W174 HydrophobicContact CB-CG 4.2Å; I132-W174 HydrophobicContact CB-CZ2 4.03Å; I132-W174 HydrophobicContact CD1-CB 3.95Å; I132-W174 HydrophobicContact CD1-CD2 4.31Å; I132-W174 HydrophobicContact CD1-CG 3.92Å; I132-W174 HydrophobicContact CG2-CD2 3.65Å; I132-W174 HydrophobicContact CG2-CE3 3.76Å; I132-W174 HydrophobicContact CG2-CG 4.32Å; I132-W174 HydrophobicContact CG2-CH2 3.73Å; I132-W174 HydrophobicContact CG2-CZ2 3.6Å; I132-W174 HydrophobicContact CG2-CZ3 3.81Å; I132-F189 HydrophobicContact CD1-CB 4.23Å; I132-F189 HydrophobicContact CD1-CD2 4.47Å; I132-F189 HydrophobicContact CD1-CG 4.29Å; I132-M210 HydrophobicContact CD1-CE 4.06Å; I132-M210 HydrophobicContact CD1-SD 3.93Å; I132-M210 HydrophobicContact CG2-CG 4.43Å
133	C	98.6	Very high	94.8	Very high	8 Å²	8	55.7 Å²	55.7	5%	0.054	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	175.7	-68	0	0	0	0	108.9	F135 M145 E146 V167 R168	C133-F135 HydrophobicContact CB-CE2 3.74Å; C133-F135 HydrophobicContact CB-CZ 4.14Å; C133-M145 CarbonylContact C-O 3.55Å; C133-M145 WeakPolarHBondContact CA-O 3.42Å; C133-E146 PolarHBondContact SG-OE2 2.88Å; C133-V167 CarbonylContact O-C 3.53Å; C133-V167 WeakPolarHBondContact O-CA 3.39Å; C133-R168 HydrophobicContact CB-CB 4.25Å; C133-R168 PolarHBondContact N-O 3.11Å; C133-R168 PolarHBondContact O-N 2.76Å
134	L	98.7	Very high	94.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.3	176.3	-49.2	-179.8	0	0	0	109.6	I132 K144 M145 I147 L155 F160 V164 V167 M210	I132-L134 HydrophobicContact CD1-CD2 3.94Å; I132-L134 HydrophobicContact CG1-CD2 3.91Å; L134-K144 WeakPolarHBondContact O-CA 3.29Å; L134-M145 HydrophobicContact CB-CB 4.49Å; L134-M145 PolarHBondContact N-O 3.03Å; L134-M145 PolarHBondContact O-N 3Å; L134-I147 HydrophobicContact CD1-CD1 4.13Å; L134-L155 HydrophobicContact CD1-CD1 3.9Å; L134-L155 HydrophobicContact CD1-CD2 3.88Å; L134-F160 HydrophobicContact CB-CE1 4.36Å; L134-F160 HydrophobicContact CB-CZ 4.28Å; L134-V164 HydrophobicContact CB-CG1 4.38Å; L134-V164 HydrophobicContact CD1-CG2 4.43Å; L134-V164 HydrophobicContact CD2-CG1 4.32Å; L134-V167 HydrophobicContact CD2-CG1 4.12Å; L134-V167 HydrophobicContact CD2-CG2 3.86Å; L134-M210 HydrophobicContact CD1-CE 4.32Å; L134-M210 HydrophobicContact CD2-CE 3.83Å
135	F	98.7	Very high	95.3	Very high	19 Å²	19	54.1 Å²	54.1	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.6	177.4	-60.2	-94.7	0	0	0	110	C133 L137 F140 N143 K144 G165 S166 R168	C133-F135 HydrophobicContact CB-CE2 3.74Å; C133-F135 HydrophobicContact CB-CZ 4.14Å; F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.26Å; F135-F140 VanDerWaalsContact CD1-C 3.42Å; F135-F140 HydrophobicContact CD1-CB 4.03Å; F135-F140 WeakPolarHBondContact CD1-O 3.31Å; F135-F140 HydrophobicContact CD2-CB 4.09Å; F135-F140 AromaticContact CD2-CD1 3.84Å; F135-F140 HydrophobicContact CD2-CD1 3.84Å; F135-F140 HydrophobicContact CD2-CG 4.45Å; F135-F140 HydrophobicContact CE1-CB 3.92Å; F135-F140 HydrophobicContact CE2-CB 4Å; F135-F140 AromaticContact CE2-CD1 3.84Å; F135-F140 HydrophobicContact CE2-CD1 3.84Å; F135-F140 HydrophobicContact CE2-CG 4.3Å; F135-F140 HydrophobicContact CG-CB 4.11Å; F135-F140 HydrophobicContact CZ-CB 3.91Å; F135-N143 WeakPolarHBondContact CA-O 3.45Å; F135-K144 HydrophobicContact CD1-CB 4.13Å; F135-K144 HydrophobicContact CD1-CG 4.09Å; F135-K144 HydrophobicContact CE1-CB 4.13Å; F135-K144 HydrophobicContact CE1-CD 3.93Å; F135-K144 HydrophobicContact CE1-CG 3.73Å; F135-K144 HydrophobicContact CZ-CD 4.2Å; F135-K144 HydrophobicContact CZ-CG 4.16Å; F135-G165 PolarHBondContact O-N 3.37Å; F135-S166 WeakPolarHBondContact CB-OG 3.22Å; F135-S166 PolarHBondContact N-O 3.37Å; F135-S166 PolarHBondContact O-N 2.87Å; F135-R168 HydrophobicContact CE2-CB 4.31Å
136	E	98.4	Very high	95.8	Very high	47 Å²	47	57.2 Å²	57.2	22%	0.22	30%	0.302	C	S	.	.	S	Bend	trans	-64.4	-37.3	-177.4	-173.6	-170.8	155.2	0	0	112.6	N143 F160 R163 G165	E136-N143 HydrophobicContact CB-CB 4.24Å; E136-N143 PolarHBondContact N-O 2.92Å; E136-N143 WeakPolarHBondContact OE2-CB 3.41Å; E136-N143 PolarHBondContact OE2-ND2 2.81Å; E136-F160 HydrophobicContact CB-CZ 4.41Å; E136-R163 HydrophobicContact CG-CB 4.39Å; E136-G165 PolarHBondContact O-N 2.98Å
137	L	98.4	Very high	96.4	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.346	30%	0.295	S	S	.	.	S	Bend	trans	-107.2	168.4	-179.1	-49.5	-176.4	0	0	0	111.1	F135 K141 G165 S166	F135-L137 VanDerWaalsContact C-N 3.33Å; F135-L137 PolarHBondContact O-N 3.26Å; L137-K141 HydrophobicContact CB-CB 3.97Å; L137-K141 WeakPolarHBondContact CB-O 3.14Å; L137-K141 HydrophobicContact CD1-CB 4.24Å; L137-K141 PolarHBondContact N-O 3.01Å; L137-G165 CarbonylContact O-C 3.58Å; L137-S166 WeakPolarHBondContact O-CB 3.01Å; L137-S166 PolarHBondContact O-N 3.04Å; L137-S166 PolarHBondContact O-OG 2.87Å
138	S	98.4	Very high	97	Very high	28 Å²	28	55.4 Å²	55.4	20%	0.196	28%	0.282	C	S	.	.	S	Bend	trans	-67.2	163	170.7	-54.3	0	0	0	0	112.2	F140 K141 R195 H196	S138-F140 PolarHBondContact O-N 3.29Å; S138-K141 PolarHBondContact O-N 3.47Å; S138-R195 CarbonylContact C-O 3.46Å; S138-R195 VanDerWaalsContact CA-O 3.31Å; S138-R195 WeakPolarHBondContact CA-O 3.36Å; S138-R195 WeakPolarHBondContact CB-O 3.33Å; S138-H196 PolarHBondContact OG-CD2 2.97Å
139	D	98.3	Very high	97.2	Very high	89 Å²	89	54.7 Å²	54.7	48%	0.476	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	35.3	-179	-59.8	-52.8	0	0	0	114.2	K141 R195	D139-K141 PolarHBondContact O-N 2.81Å; D139-R195 PolarHBondContact N-O 2.86Å
140	F	98.5	Very high	97.4	Very high	42 Å²	42	53 Å²	53	18%	0.184	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	38.6	175.7	-39.3	-59.4	0	0	0	114.1	F135 S138 S166 R168 D193 R195	F135-F140 VanDerWaalsContact CD1-C 3.42Å; F135-F140 HydrophobicContact CD1-CB 4.03Å; F135-F140 WeakPolarHBondContact CD1-O 3.31Å; F135-F140 HydrophobicContact CD2-CB 4.09Å; F135-F140 AromaticContact CD2-CD1 3.84Å; F135-F140 HydrophobicContact CD2-CD1 3.84Å; F135-F140 HydrophobicContact CD2-CG 4.45Å; F135-F140 HydrophobicContact CE1-CB 3.92Å; F135-F140 HydrophobicContact CE2-CB 4Å; F135-F140 AromaticContact CE2-CD1 3.84Å; F135-F140 HydrophobicContact CE2-CD1 3.84Å; F135-F140 HydrophobicContact CE2-CG 4.3Å; F135-F140 HydrophobicContact CG-CB 4.11Å; F135-F140 HydrophobicContact CZ-CB 3.91Å; S138-F140 PolarHBondContact O-N 3.29Å; F140-S166 VanDerWaalsContact CA-OG 3.28Å; F140-S166 WeakPolarHBondContact CA-OG 3.37Å; F140-S166 PolarHBondContact N-OG 2.77Å; F140-R168 HydrophobicContact CE1-CB 4.44Å; F140-D193 HydrophobicContact CZ-CB 3.82Å; F140-R195 HydrophobicContact CE1-CG 4.38Å; F140-R195 HydrophobicContact CE2-CG 3.78Å; F140-R195 HydrophobicContact CZ-CG 3.55Å
141	K	98.4	Very high	97.5	Very high	125 Å²	125	54.3 Å²	54.3	54%	0.543	28%	0.278	S	S	.	.			trans	-111.1	166.9	-177.9	-64.5	175.4	-174.9	169.8	0	112.5	L137 S138 D139	L137-K141 HydrophobicContact CB-CB 3.97Å; L137-K141 WeakPolarHBondContact CB-O 3.14Å; L137-K141 HydrophobicContact CD1-CB 4.24Å; L137-K141 PolarHBondContact N-O 3.01Å; S138-K141 PolarHBondContact O-N 3.47Å; D139-K141 PolarHBondContact O-N 2.81Å
142	G	97.7	Very high	97.6	Very high	50 Å²	50	51.8 Å²	51.8	52%	0.515	27%	0.267	S	S	.	.	S	Bend	trans	81.3	-157.5	178.2	0	0	0	0	0	112.6
143	N	97.7	Very high	97.5	Very high	106 Å²	106	54.9 Å²	54.9	57%	0.567	29%	0.287	S	S	*	.	S	Bend	trans	-61.1	139.4	177.2	-67.5	-39.5	0	0	0	110.5	F135 E136 F160	F135-N143 WeakPolarHBondContact CA-O 3.45Å; E136-N143 HydrophobicContact CB-CB 4.24Å; E136-N143 PolarHBondContact N-O 2.92Å; E136-N143 WeakPolarHBondContact OE2-CB 3.41Å; E136-N143 PolarHBondContact OE2-ND2 2.81Å; N143-F160 HydrophobicContact CB-CE2 4.11Å
144	K	97.9	Very high	97.5	Very high	111 Å²	111	56.4 Å²	56.4	48%	0.483	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.2	-179.3	-177.5	-166.4	170.8	-159.6	0	109.9	L134 F135 E146	L134-K144 WeakPolarHBondContact O-CA 3.29Å; F135-K144 HydrophobicContact CD1-CB 4.13Å; F135-K144 HydrophobicContact CD1-CG 4.09Å; F135-K144 HydrophobicContact CE1-CB 4.13Å; F135-K144 HydrophobicContact CE1-CD 3.93Å; F135-K144 HydrophobicContact CE1-CG 3.73Å; F135-K144 HydrophobicContact CZ-CD 4.2Å; F135-K144 HydrophobicContact CZ-CG 4.16Å; K144-E146 IonicContact NZ-OE2 3.35Å; K144-E146 PolarHBondContact NZ-OE2 2.77Å
145	M	98.1	Very high	97.4	Very high	17 Å²	17	56.4 Å²	56.4	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140	165.6	179	173.7	177.2	0	0	109.5	C133 L134 I147 V152 L155 H158 F160	C133-M145 CarbonylContact C-O 3.55Å; C133-M145 WeakPolarHBondContact CA-O 3.42Å; L134-M145 HydrophobicContact CB-CB 4.49Å; L134-M145 PolarHBondContact N-O 3.03Å; L134-M145 PolarHBondContact O-N 3Å; M145-I147 HydrophobicContact CE-CD1 4.08Å; M145-I147 HydrophobicContact CE-CG1 3.87Å; M145-I147 HydrophobicContact CG-CG1 4.38Å; M145-V152 HydrophobicContact CE-CG1 4.15Å; M145-V152 HydrophobicContact CE-CG2 4.25Å; M145-L155 HydrophobicContact CE-CD2 4.18Å; M145-L155 HydrophobicContact SD-CD2 4Å; M145-H158 HydrophobicContact CE-CB 3.35Å; M145-H158 HydrophobicContact SD-CB 3.95Å; M145-F160 HydrophobicContact CB-CD2 3.54Å; M145-F160 HydrophobicContact CB-CE2 3.78Å; M145-F160 HydrophobicContact CB-CG 4.02Å; M145-F160 HydrophobicContact CB-CZ 4.45Å; M145-F160 HydrophobicContact SD-CB 3.76Å; M145-F160 HydrophobicContact SD-CD2 4.45Å; M145-F160 HydrophobicContact SD-CG 4.05Å
146	E	98.2	Very high	97.3	Very high	85 Å²	85	61.4 Å²	61.4	40%	0.397	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.3	176.2	-173.6	168.3	123.3	0	0	108.7	K131 I132 C133 K144	K131-E146 WeakPolarHBondContact CE-OE1 3.5Å; K131-E146 IonicContact NZ-OE1 2.68Å; K131-E146 PolarHBondContact NZ-OE1 2.88Å; K131-E146 IonicContact NZ-OE2 3.83Å; I132-E146 WeakPolarHBondContact O-CA 3.43Å; C133-E146 PolarHBondContact SG-OE2 2.88Å; K144-E146 IonicContact NZ-OE2 3.35Å; K144-E146 PolarHBondContact NZ-OE2 2.77Å
147	I	97.7	Very high	97.2	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.041	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.5	177.2	-50.6	169	0	0	0	106.7	K131 I132 L134 M145 D150 V152 L155 W174 M210	K131-I147 WeakPolarHBondContact CA-O 3.48Å; I132-I147 HydrophobicContact CG2-CB 3.77Å; I132-I147 HydrophobicContact CG2-CD1 4.26Å; I132-I147 HydrophobicContact CG2-CG1 4.35Å; I132-I147 PolarHBondContact N-O 3.23Å; I132-I147 PolarHBondContact O-N 3.21Å; L134-I147 HydrophobicContact CD1-CD1 4.13Å; M145-I147 HydrophobicContact CE-CD1 4.08Å; M145-I147 HydrophobicContact CE-CG1 3.87Å; M145-I147 HydrophobicContact CG-CG1 4.38Å; I147-D150 WeakPolarHBondContact CG2-O 3.34Å; I147-V152 HydrophobicContact CD1-CB 4.15Å; I147-V152 HydrophobicContact CD1-CG2 3.72Å; I147-V152 HydrophobicContact CG1-CG2 4Å; I147-V152 HydrophobicContact CG2-CG2 3.76Å; I147-L155 HydrophobicContact CD1-CD2 4.26Å; I147-W174 HydrophobicContact CB-CH2 4.12Å; I147-W174 HydrophobicContact CB-CZ3 4.34Å; I147-W174 HydrophobicContact CG2-CH2 3.7Å; I147-W174 HydrophobicContact CG2-CZ3 3.82Å; I147-M210 HydrophobicContact CD1-CB 3.93Å; I147-M210 HydrophobicContact CD1-CG 4.01Å
148	Q	96.2	Very high	96.9	Very high	91 Å²	91	65.1 Å²	65.1	43%	0.425	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.7	179.3	-176.8	174.4	-1.9	0	0	109.1	E129 H130 D150	E129-Q148 PolarHBondContact OE2-NE2 3.1Å; E129-Q148 VanDerWaalsContact OE2-NE2 3.08Å; H130-Q148 WeakPolarHBondContact O-CA 3.44Å; Q148-D150 PolarHBondContact O-N 2.85Å
149	E	92.6	Very high	96.7	Very high	75 Å²	75	67.4 Å²	67.4	35%	0.35	37%	0.371	S	S	.	.	S	Bend	trans	50.2	25.8	175.6	-68.2	-60.7	157.1	0	0	116.1	E129 H130 R212	E129-E149 VanDerWaalsContact CA-OE1 3.32Å; E129-E149 WeakPolarHBondContact CA-OE1 3.34Å; H130-E149 PolarHBondContact N-OE1 2.72Å; H130-E149 PolarHBondContact O-N 3.47Å; E149-R212 PolarHBondContact O-NH1 3.38Å; E149-R212 PolarHBondContact O-NH2 2.95Å; E149-R212 IonicContact OE2-NH1 3.32Å; E149-R212 PolarHBondContact OE2-NH1 2.9Å
150	D	94.3	Very high	96.5	Very high	90 Å²	90	63.9 Å²	63.9	48%	0.481	35%	0.351	S	S	.	.			trans	-140.6	156.6	-179.9	-156.6	7.8	0	0	0	112.5	I147 Q148 W174	I147-D150 WeakPolarHBondContact CG2-O 3.34Å; Q148-D150 PolarHBondContact O-N 2.85Å; D150-W174 WeakPolarHBondContact O-CZ3 3.47Å
151	D	95.9	Very high	96.3	Very high	28 Å²	28	63.3 Å²	63.3	15%	0.15	35%	0.352	C	S	.	.			trans	-104	135.3	172.6	-61.7	-10.5	0	0	0	109.3	P153 R211 R212 R214	D151-P153 WeakPolarHBondContact O-CD 3.48Å; D151-R211 HydrophobicContact CB-CB 3.91Å; D151-R212 IonicContact OD1-CZ 2.77Å; D151-R212 PolarHBondContact OD1-N 3.25Å; D151-R212 IonicContact OD1-NE 3.87Å; D151-R212 PolarHBondContact OD1-NE 3.35Å; D151-R212 IonicContact OD1-NH2 3Å; D151-R214 IonicContact OD1-NH2 2.8Å; D151-R214 IonicContact OD2-CZ 2.68Å; D151-R214 VanDerWaalsContact OD2-CZ 3.29Å; D151-R214 IonicContact OD2-NH1 3.39Å; D151-R214 PolarHBondContact OD2-NH1 3.44Å; D151-R214 IonicContact OD2-NH2 3.52Å; D151-R214 PolarHBondContact OD2-NH2 3.26Å
152	V	97.7	Very high	96.2	Very high	2 Å²	2	60 Å²	60	1%	0.012	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-114.6	99.5	-175.8	-179.9	0	0	0	0	109.7	M145 I147 T154 L155 S209 M210	M145-V152 HydrophobicContact CE-CG1 4.15Å; M145-V152 HydrophobicContact CE-CG2 4.25Å; I147-V152 HydrophobicContact CD1-CB 4.15Å; I147-V152 HydrophobicContact CD1-CG2 3.72Å; I147-V152 HydrophobicContact CG1-CG2 4Å; I147-V152 HydrophobicContact CG2-CG2 3.76Å; V152-T154 VanDerWaalsContact CG1-O 3.23Å; V152-T154 WeakPolarHBondContact CG1-O 3.16Å; V152-T154 PolarHBondContact O-N 3.31Å; V152-L155 HydrophobicContact CB-CD2 4.44Å; V152-L155 HydrophobicContact CG1-CD2 3.88Å; V152-S209 WeakPolarHBondContact O-CA 3.47Å; V152-S209 VanDerWaalsContact O-CB 3.31Å; V152-S209 WeakPolarHBondContact O-CB 3.31Å; V152-M210 CarbonylContact C-O 3.56Å; V152-M210 PolarHBondContact N-O 3.28Å; V152-M210 PolarHBondContact O-N 3.47Å; V152-M210 VanDerWaalsContact O-O 3.13Å
153	P	97.4	Very high	96.2	Very high	65 Å²	65	62.3 Å²	62.3	42%	0.422	33%	0.334	S	S	.	.	S	Bend	trans	-71.1	-13.4	179.5	28.7	-35	0	0	0	113.1	D151 P180 G181 Y182 S209	D151-P153 WeakPolarHBondContact O-CD 3.48Å; P153-P180 CarbonylContact O-C 3.51Å; P153-P180 WeakPolarHBondContact O-CA 3.41Å; P153-G181 PolarHBondContact O-N 3.3Å; P153-Y182 HydrophobicContact CB-CE1 4.35Å; P153-Y182 HydrophobicContact CB-CE2 4.36Å; P153-S209 VanDerWaalsContact O-CB 3.26Å; P153-S209 WeakPolarHBondContact O-CB 3.48Å
154	T	97.9	Very high	96.2	Very high	41 Å²	41	57.3 Å²	57.3	25%	0.252	31%	0.307	S	S	.	.			trans	-154.4	121.3	172.5	176.2	0	0	0	0	111.1	V152 W156 A157 Q208	V152-T154 VanDerWaalsContact CG1-O 3.23Å; V152-T154 WeakPolarHBondContact CG1-O 3.16Å; V152-T154 PolarHBondContact O-N 3.31Å; T154-W156 PolarHBondContact O-N 2.88Å; T154-W156 PolarHBondContact OG1-N 3.2Å; T154-A157 HydrophobicContact CG2-CB 3.73Å; T154-A157 PolarHBondContact O-N 2.82Å; T154-Q208 CarbonylContact C-O 3.54Å; T154-Q208 VanDerWaalsContact CA-O 3.29Å; T154-Q208 WeakPolarHBondContact CA-O 3.35Å
155	L	97.7	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.2	-27.1	176.9	-60.7	-173	0	0	0	111.9	L134 M145 I147 V152 A157 H158 F160 V164 I207 Q208 M210	L134-L155 HydrophobicContact CD1-CD1 3.9Å; L134-L155 HydrophobicContact CD1-CD2 3.88Å; M145-L155 HydrophobicContact CE-CD2 4.18Å; M145-L155 HydrophobicContact SD-CD2 4Å; I147-L155 HydrophobicContact CD1-CD2 4.26Å; V152-L155 HydrophobicContact CB-CD2 4.44Å; V152-L155 HydrophobicContact CG1-CD2 3.88Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.96Å; L155-H158 PolarHBondContact O-N 2.92Å; L155-H158 VanDerWaalsContact O-N 3.09Å; L155-F160 HydrophobicContact CB-CB 4.11Å; L155-F160 HydrophobicContact CB-CD1 4.43Å; L155-F160 HydrophobicContact CD1-CD1 3.97Å; L155-F160 PolarHBondContact O-N 2.91Å; L155-V164 HydrophobicContact CD1-CG2 4.12Å; L155-I207 HydrophobicContact CD1-CG2 4.32Å; L155-I207 WeakPolarHBondContact CD1-O 3.34Å; L155-Q208 PolarHBondContact N-O 3.03Å; L155-M210 HydrophobicContact CD2-CB 4.47Å
156	W	96.5	Very high	96.3	Very high	124 Å²	124	51.2 Å²	51.2	47%	0.47	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.2	-32	179.2	-59.9	102.5	0	0	0	113.3	T154 H158 G159 F160 C161 D162	T154-W156 PolarHBondContact O-N 2.88Å; T154-W156 PolarHBondContact OG1-N 3.2Å; W156-H158 PolarHBondContact O-N 3.47Å; W156-H158 VanDerWaalsContact O-N 3.14Å; W156-G159 PolarHBondContact O-N 3.42Å; W156-F160 VanDerWaalsContact CE3-O 3.28Å; W156-C161 HydrophobicContact CH2-CB 4.27Å; W156-C161 HydrophobicContact CZ3-CB 4.23Å; W156-D162 HydrophobicContact CH2-CB 4.45Å; W156-D162 HydrophobicContact CZ2-CB 3.69Å
157	A	95.3	Very high	96.3	Very high	76 Å²	76	47.1 Å²	47.1	63%	0.628	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.2	178.2	0	0	0	0	0	113	T154 L155	T154-A157 HydrophobicContact CG2-CB 3.73Å; T154-A157 PolarHBondContact O-N 2.82Å; L155-A157 VanDerWaalsContact C-N 3.27Å; L155-A157 PolarHBondContact O-N 2.96Å
158	H	93.1	Very high	96.4	Very high	115 Å²	115	51.1 Å²	51.1	53%	0.532	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-105.7	15.3	178.4	-59.6	-92.1	0	0	0	112.4	M145 L155 W156 F160	M145-H158 HydrophobicContact CE-CB 3.35Å; M145-H158 HydrophobicContact SD-CB 3.95Å; L155-H158 PolarHBondContact O-N 2.92Å; L155-H158 VanDerWaalsContact O-N 3.09Å; W156-H158 PolarHBondContact O-N 3.47Å; W156-H158 VanDerWaalsContact O-N 3.14Å; H158-F160 PolarHBondContact O-N 3.4Å
159	G	92.9	Very high	96.5	Very high	75 Å²	75	47 Å²	47	77%	0.773	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	13.2	178.2	0	0	0	0	0	114.6	W156	W156-G159 PolarHBondContact O-N 3.42Å
160	F	95.9	Very high	96.7	Very high	16 Å²	16	46.4 Å²	46.4	7%	0.07	26%	0.259	C	S	.	.			trans	-85.5	177.2	172.2	-149.2	-109.6	0	0	0	110.9	L134 E136 N143 M145 L155 W156 H158 V164	L134-F160 HydrophobicContact CB-CE1 4.36Å; L134-F160 HydrophobicContact CB-CZ 4.28Å; E136-F160 HydrophobicContact CB-CZ 4.41Å; N143-F160 HydrophobicContact CB-CE2 4.11Å; M145-F160 HydrophobicContact CB-CD2 3.54Å; M145-F160 HydrophobicContact CB-CE2 3.78Å; M145-F160 HydrophobicContact CB-CG 4.02Å; M145-F160 HydrophobicContact CB-CZ 4.45Å; M145-F160 HydrophobicContact SD-CB 3.76Å; M145-F160 HydrophobicContact SD-CD2 4.45Å; M145-F160 HydrophobicContact SD-CG 4.05Å; L155-F160 HydrophobicContact CB-CB 4.11Å; L155-F160 HydrophobicContact CB-CD1 4.43Å; L155-F160 HydrophobicContact CD1-CD1 3.97Å; L155-F160 PolarHBondContact O-N 2.91Å; W156-F160 VanDerWaalsContact CE3-O 3.28Å; H158-F160 PolarHBondContact O-N 3.4Å; F160-V164 HydrophobicContact CE1-CG2 3.97Å
161	C	93.8	Very high	96.6	Very high	30 Å²	30	42.2 Å²	42.2	20%	0.203	24%	0.237	C	C	.	.			trans	-112.2	-177.9	176.7	64.3	0	0	0	0	111.5	W156 R163	W156-C161 HydrophobicContact CH2-CB 4.27Å; W156-C161 HydrophobicContact CZ3-CB 4.23Å; C161-R163 PolarHBondContact O-N 2.85Å; C161-R163 PolarHBondContact SG-N 3.28Å
162	D	95.4	Very high	96.5	Very high	55 Å²	55	40.9 Å²	40.9	29%	0.294	23%	0.23	S	C	.	.	S	Bend	trans	-79.1	-1.8	174.2	65.7	-26	0	0	0	113.6	W156 Q206 I207 Q208	W156-D162 HydrophobicContact CH2-CB 4.45Å; W156-D162 HydrophobicContact CZ2-CB 3.69Å; D162-Q206 HydrophobicContact CB-CG 4.38Å; D162-Q206 CarbonylContact O-C 3.49Å; D162-Q206 VanDerWaalsContact O-CA 3.24Å; D162-Q206 WeakPolarHBondContact O-CA 3.46Å; D162-Q206 PolarHBondContact OD2-NE2 2.93Å; D162-I207 CarbonylContact C-O 3.57Å; D162-I207 WeakPolarHBondContact CA-O 3.34Å; D162-I207 PolarHBondContact O-N 3.13Å; D162-Q208 HydrophobicContact CB-CG 3.37Å
163	R	98.2	Very high	96.4	Very high	99 Å²	99	40.8 Å²	40.8	37%	0.374	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-97.6	117.5	-177.4	-168	169.6	-175.3	-112.5	-2.6	112.5	E136 C161 P205	E136-R163 HydrophobicContact CG-CB 4.39Å; C161-R163 PolarHBondContact O-N 2.85Å; C161-R163 PolarHBondContact SG-N 3.28Å; R163-P205 CarbonylContact C-O 3.59Å; R163-P205 VanDerWaalsContact CA-O 3.22Å; R163-P205 WeakPolarHBondContact CA-O 3.4Å; R163-P205 HydrophobicContact CG-CB 4.22Å; R163-P205 HydrophobicContact CG-CG 4.11Å
164	V	98.6	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.			trans	-123.2	103.7	173.2	179.6	0	0	0	0	109.1	L134 L155 F160 V167 P205 I207	L134-V164 HydrophobicContact CB-CG1 4.38Å; L134-V164 HydrophobicContact CD1-CG2 4.43Å; L134-V164 HydrophobicContact CD2-CG1 4.32Å; L155-V164 HydrophobicContact CD1-CG2 4.12Å; F160-V164 HydrophobicContact CE1-CG2 3.97Å; V164-V167 HydrophobicContact CG1-CG2 3.54Å; V164-P205 PolarHBondContact N-O 3.07Å; V164-P205 WeakPolarHBondContact O-CA 3.36Å; V164-P205 WeakPolarHBondContact O-CB 3.21Å; V164-I207 HydrophobicContact CB-CB 4.12Å; V164-I207 HydrophobicContact CB-CD1 4.13Å; V164-I207 HydrophobicContact CB-CG1 4.33Å; V164-I207 HydrophobicContact CG1-CD1 4.23Å; V164-I207 HydrophobicContact CG2-CB 3.78Å; V164-I207 HydrophobicContact CG2-CG2 4.36Å
165	G	98.4	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.			trans	-92.4	-24	-176.1	0	0	0	0	0	114.7	F135 E136 L137 H196 Y197	F135-G165 PolarHBondContact O-N 3.37Å; E136-G165 PolarHBondContact O-N 2.98Å; L137-G165 CarbonylContact O-C 3.58Å; G165-H196 CarbonylContact O-C 3.48Å; G165-H196 WeakPolarHBondContact O-CA 3.26Å; G165-Y197 PolarHBondContact O-N 3.03Å
166	S	98.8	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.4	174	57.6	0	0	0	0	111.7	F135 L137 F140 Y194 R195	F135-S166 WeakPolarHBondContact CB-OG 3.22Å; F135-S166 PolarHBondContact N-O 3.37Å; F135-S166 PolarHBondContact O-N 2.87Å; L137-S166 WeakPolarHBondContact O-CB 3.01Å; L137-S166 PolarHBondContact O-N 3.04Å; L137-S166 PolarHBondContact O-OG 2.87Å; F140-S166 VanDerWaalsContact CA-OG 3.28Å; F140-S166 WeakPolarHBondContact CA-OG 3.37Å; F140-S166 PolarHBondContact N-OG 2.77Å; S166-Y194 CarbonylContact C-O 3.55Å; S166-Y194 VanDerWaalsContact CA-O 3.29Å; S166-Y194 WeakPolarHBondContact CA-O 3.08Å; S166-Y194 WeakPolarHBondContact CB-O 3.42Å; S166-R195 WeakPolarHBondContact CB-O 3.29Å
167	V	98.8	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140.6	-172.9	177.8	0	0	0	0	110.2	I132 C133 L134 V164 V169 F189 Y194 F200	I132-V167 HydrophobicContact CD1-CG1 3.65Å; I132-V167 HydrophobicContact CG1-CG1 3.65Å; C133-V167 CarbonylContact O-C 3.53Å; C133-V167 WeakPolarHBondContact O-CA 3.39Å; L134-V167 HydrophobicContact CD2-CG1 4.12Å; L134-V167 HydrophobicContact CD2-CG2 3.86Å; V164-V167 HydrophobicContact CG1-CG2 3.54Å; V167-V169 HydrophobicContact CG1-CG2 3.94Å; V167-F189 HydrophobicContact CB-CD1 4.09Å; V167-F189 HydrophobicContact CB-CE1 3.82Å; V167-F189 HydrophobicContact CG1-CD1 3.77Å; V167-F189 HydrophobicContact CG1-CE1 3.95Å; V167-F189 HydrophobicContact CG1-CG 4.41Å; V167-F189 HydrophobicContact CG2-CD1 4.29Å; V167-F189 HydrophobicContact CG2-CE1 3.6Å; V167-F189 HydrophobicContact CG2-CZ 3.97Å; V167-Y194 HydrophobicContact CB-CD2 4.3Å; V167-Y194 HydrophobicContact CG1-CD2 4.43Å; V167-Y194 PolarHBondContact N-O 2.87Å; V167-Y194 WeakPolarHBondContact O-CA 3.41Å; V167-Y194 PolarHBondContact O-N 2.89Å; V167-F200 HydrophobicContact CG2-CE1 4.12Å
168	R	98.6	Very high	96.6	Very high	91 Å²	91	27.6 Å²	27.6	34%	0.343	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.1	167.1	170.6	172.9	-67.7	152	3	109.3	C133 F135 F140 P170 D193	C133-R168 HydrophobicContact CB-CB 4.25Å; C133-R168 PolarHBondContact N-O 3.11Å; C133-R168 PolarHBondContact O-N 2.76Å; F135-R168 HydrophobicContact CE2-CB 4.31Å; F140-R168 HydrophobicContact CE1-CB 4.44Å; R168-P170 HydrophobicContact CG-CG 4.2Å; R168-P170 WeakPolarHBondContact O-CD 3.42Å; R168-D193 WeakPolarHBondContact CD-OD1 3.48Å; R168-D193 VanDerWaalsContact CG-OD1 3.24Å; R168-D193 WeakPolarHBondContact CG-OD1 3.38Å; R168-D193 IonicContact CZ-OD1 3.29Å; R168-D193 IonicContact CZ-OD2 3.54Å; R168-D193 IonicContact NE-OD1 2.92Å; R168-D193 PolarHBondContact NE-OD1 2.94Å; R168-D193 IonicContact NE-OD2 2.99Å; R168-D193 PolarHBondContact NE-OD2 2.84Å; R168-D193 IonicContact NH2-OD1 2.72Å; R168-D193 IonicContact NH2-OD2 3.69Å; R168-D193 PolarHBondContact NH2-OD2 2.79Å
169	V	98.1	Very high	96.9	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	93.9	178.9	-171	0	0	0	0	108.3	I132 V167 G171 G172 F189 C191 G192 Y194	I132-V169 HydrophobicContact CD1-CG2 4.08Å; I132-V169 HydrophobicContact CG1-CG2 4.1Å; V167-V169 HydrophobicContact CG1-CG2 3.94Å; V169-G171 VanDerWaalsContact C-N 3.29Å; V169-G172 WeakPolarHBondContact CG1-O 3.33Å; V169-F189 HydrophobicContact CG2-CB 3.87Å; V169-C191 WeakPolarHBondContact O-CA 3.43Å; V169-G192 PolarHBondContact N-O 3.43Å; V169-G192 PolarHBondContact O-N 2.99Å; V169-Y194 HydrophobicContact CG2-CD2 4.41Å; V169-Y194 HydrophobicContact CG2-CE2 3.91Å
170	P	96.8	Very high	97.1	Very high	64 Å²	64	24.7 Å²	24.7	42%	0.416	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-26.5	175.4	-25.2	36.7	0	0	0	114.4	K131 R168	K131-P170 HydrophobicContact CB-CB 4.43Å; K131-P170 HydrophobicContact CB-CG 4.5Å; K131-P170 HydrophobicContact CD-CB 4.46Å; K131-P170 HydrophobicContact CD-CG 4.25Å; K131-P170 HydrophobicContact CG-CG 4.16Å; K131-P170 WeakPolarHBondContact O-CD 3.5Å; R168-P170 HydrophobicContact CG-CG 4.2Å; R168-P170 WeakPolarHBondContact O-CD 3.42Å
171	G	93.8	Very high	97.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	147.3	-173.9	0	0	0	0	0	112.8	E129 K131 V169 W174 C191	E129-G171 CarbonylContact O-C 3.32Å; E129-G171 WeakPolarHBondContact O-CA 3.43Å; K131-G171 PolarHBondContact N-O 3.08Å; K131-G171 VanDerWaalsContact O-O 3.1Å; V169-G171 VanDerWaalsContact C-N 3.29Å; G171-W174 PolarHBondContact O-NE1 2.98Å; G171-C191 WeakPolarHBondContact CA-SG 3.36Å
172	G	92.3	Very high	97.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	77.1	178.7	179.7	0	0	0	0	0	114.8	D126 V169	D126-G172 PolarHBondContact OD1-N 3.04Å; D126-G172 PolarHBondContact OD2-N 3.07Å; V169-G172 WeakPolarHBondContact CG1-O 3.33Å
173	A	95.3	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.			trans	-117.6	136.9	177.3	0	0	0	0	0	110.4	I123 M125 H130 F189 I213	I123-A173 HydrophobicContact CG2-CB 4.26Å; M125-A173 HydrophobicContact CE-CB 4.12Å; M125-A173 HydrophobicContact SD-CB 3.74Å; H130-A173 PolarHBondContact NE2-N 2.95Å; H130-A173 PolarHBondContact NE2-O 2.93Å; A173-F189 WeakPolarHBondContact CA-O 3.35Å; A173-I213 HydrophobicContact CB-CB 4.18Å; A173-I213 HydrophobicContact CB-CD1 4.32Å; A173-I213 PolarHBondContact O-N 2.99Å
174	W	97.6	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.9	-172.7	-59.4	79	0	0	0	111.2	H130 K131 I132 I147 D150 G171 F189 M210 R211 R212	H130-W174 VanDerWaalsContact C-CZ2 3.46Å; H130-W174 HydrophobicContact CB-CH2 4.25Å; H130-W174 HydrophobicContact CB-CZ2 3.6Å; H130-W174 AromaticContact CD2-NE1 3.99Å; K131-W174 PolarHBondContact O-NE1 2.77Å; I132-W174 HydrophobicContact CB-CD2 3.96Å; I132-W174 HydrophobicContact CB-CG 4.2Å; I132-W174 HydrophobicContact CB-CZ2 4.03Å; I132-W174 HydrophobicContact CD1-CB 3.95Å; I132-W174 HydrophobicContact CD1-CD2 4.31Å; I132-W174 HydrophobicContact CD1-CG 3.92Å; I132-W174 HydrophobicContact CG2-CD2 3.65Å; I132-W174 HydrophobicContact CG2-CE3 3.76Å; I132-W174 HydrophobicContact CG2-CG 4.32Å; I132-W174 HydrophobicContact CG2-CH2 3.73Å; I132-W174 HydrophobicContact CG2-CZ2 3.6Å; I132-W174 HydrophobicContact CG2-CZ3 3.81Å; I147-W174 HydrophobicContact CB-CH2 4.12Å; I147-W174 HydrophobicContact CB-CZ3 4.34Å; I147-W174 HydrophobicContact CG2-CH2 3.7Å; I147-W174 HydrophobicContact CG2-CZ3 3.82Å; D150-W174 WeakPolarHBondContact O-CZ3 3.47Å; G171-W174 PolarHBondContact O-NE1 2.98Å; W174-F189 HydrophobicContact CB-CB 4.05Å; W174-F189 PolarHBondContact N-O 3.06Å; W174-F189 PolarHBondContact O-N 3.24Å; W174-M210 HydrophobicContact CB-SD 3.95Å; W174-M210 HydrophobicContact CE3-CG 3.74Å; W174-M210 HydrophobicContact CE3-SD 4.36Å; W174-M210 HydrophobicContact CZ3-CG 4.24Å; W174-R211 WeakPolarHBondContact CA-O 3.41Å; W174-R212 HydrophobicContact CD2-CG 4.19Å; W174-R212 HydrophobicContact CE3-CG 3.79Å; W174-R212 HydrophobicContact CH2-CG 3.67Å; W174-R212 HydrophobicContact CZ2-CG 4.09Å; W174-R212 HydrophobicContact CZ3-CG 3.51Å
175	V	98.1	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.3	169	55.4	0	0	0	0	110.1	I96 Y177 Q186 Y187 M210 R211 I213	I96-V175 HydrophobicContact CG1-CB 4.06Å; I96-V175 HydrophobicContact CG1-CG2 3.68Å; V175-Y177 HydrophobicContact CB-CE2 4.27Å; V175-Y177 HydrophobicContact CG1-CE2 3.65Å; V175-Y177 WeakPolarHBondContact CG1-OH 3.49Å; V175-Y177 HydrophobicContact CG2-CD2 4.36Å; V175-Y177 HydrophobicContact CG2-CE1 4.19Å; V175-Y177 HydrophobicContact CG2-CE2 3.8Å; V175-Q186 HydrophobicContact CG2-CB 3.97Å; V175-Y187 WeakPolarHBondContact CA-O 3.46Å; V175-M210 VanDerWaalsContact C-SD 3.54Å; V175-M210 WeakPolarHBondContact O-CA 3.37Å; V175-M210 VanDerWaalsContact O-SD 3.39Å; V175-R211 HydrophobicContact CG1-CG 3.44Å; V175-R211 VanDerWaalsContact CG1-CG 3.44Å; V175-R211 PolarHBondContact N-O 2.79Å; V175-R211 PolarHBondContact O-N 3.18Å; V175-I213 HydrophobicContact CB-CD1 4.23Å; V175-I213 HydrophobicContact CB-CG1 4.15Å; V175-I213 HydrophobicContact CG1-CG1 3.99Å
176	G	98.4	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146	171.9	0	0	0	0	0	110.9	Q186 Y187 S209	G176-Q186 CarbonylContact O-C 3.6Å; G176-Q186 WeakPolarHBondContact O-CA 3.24Å; G176-Y187 PolarHBondContact N-O 2.85Å; G176-Y187 PolarHBondContact O-N 2.77Å; G176-S209 WeakPolarHBondContact CA-O 3.37Å
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	-125.4	144.3	-179.1	-64.1	-91.8	0	0	0	111.9	V175 Y179 Y182 Y185 Q186 I207 Q208 S209 R211	V175-Y177 HydrophobicContact CB-CE2 4.27Å; V175-Y177 HydrophobicContact CG1-CE2 3.65Å; V175-Y177 WeakPolarHBondContact CG1-OH 3.49Å; V175-Y177 HydrophobicContact CG2-CD2 4.36Å; V175-Y177 HydrophobicContact CG2-CE1 4.19Å; V175-Y177 HydrophobicContact CG2-CE2 3.8Å; Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 3.03Å; Y177-Y182 VanDerWaalsContact CD1-O 3.28Å; Y177-Y182 WeakPolarHBondContact CD1-O 3.45Å; Y177-Y182 AromaticContact CD2-CD1 3.82Å; Y177-Y182 HydrophobicContact CD2-CD1 3.82Å; Y177-Y182 HydrophobicContact CD2-CG 4.27Å; Y177-Y182 WeakPolarHBondContact CE1-O 3.5Å; Y177-Y182 AromaticContact CE2-CD1 3.86Å; Y177-Y182 HydrophobicContact CE2-CD1 3.86Å; Y177-Y182 HydrophobicContact CE2-CG 4.09Å; Y177-Y182 VanDerWaalsContact CG-CA 3.48Å; Y177-Y185 WeakPolarHBondContact CA-O 3.28Å; Y177-Q186 HydrophobicContact CD1-CB 4.48Å; Y177-Q186 HydrophobicContact CD1-CG 3.91Å; Y177-Q186 HydrophobicContact CE1-CB 4.27Å; Y177-Q186 HydrophobicContact CE1-CG 3.59Å; Y177-I207 CarbonylContact O-C 3.59Å; Y177-I207 WeakPolarHBondContact O-CA 3.47Å; Y177-Q208 PolarHBondContact O-N 3.03Å; Y177-S209 WeakPolarHBondContact CB-OG 3.28Å; Y177-S209 PolarHBondContact N-O 3.44Å; Y177-S209 PolarHBondContact O-N 2.8Å; Y177-R211 HydrophobicContact CE2-CG 4.01Å; Y177-R211 PolarHBondContact OH-NE 2.93Å; Y177-R211 PolarHBondContact OH-NH2 3.44Å
178	Q	98.1	Very high	97.3	Very high	24 Å²	24	31.6 Å²	31.6	11%	0.112	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	-37.1	179.5	-173	-179.9	19.5	0	0	113.5	R183 Y185 Q206 Q208	Q178-R183 PolarHBondContact N-O 2.95Å; Q178-Y185 PolarHBondContact N-O 2.96Å; Q178-Y185 VanDerWaalsContact N-O 3.08Å; Q178-Y185 VanDerWaalsContact OE1-CD2 3.23Å; Q178-Q206 HydrophobicContact CG-CG 4.2Å; Q178-Q208 WeakPolarHBondContact O-CG 3.38Å; Q178-Q208 PolarHBondContact O-NE2 3.3Å
179	Y	98.3	Very high	97.3	Very high	94 Å²	94	27.2 Å²	27.2	37%	0.369	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	161.5	-175.1	-58.3	-57.8	0	0	0	112.7	Y177 R183 S209	Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 3.03Å; Y179-R183 PolarHBondContact N-O 3.5Å; Y179-S209 PolarHBondContact O-OG 2.92Å
180	P	98.1	Very high	97.2	Very high	36 Å²	36	27.4 Å²	27.4	23%	0.234	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	150.9	171.9	-22.6	34.2	0	0	0	112.4	P153 R183 Q208	P153-P180 CarbonylContact O-C 3.51Å; P153-P180 WeakPolarHBondContact O-CA 3.41Å; P180-R183 PolarHBondContact O-NE 2.89Å; P180-R183 PolarHBondContact O-NH2 3.47Å; P180-Q208 HydrophobicContact CG-CB 3.97Å
181	G	97.1	Very high	97.2	Very high	40 Å²	40	26.8 Å²	26.8	41%	0.412	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	31.3	-179.8	0	0	0	0	0	113.3	P153	P153-G181 PolarHBondContact O-N 3.3Å
182	Y	97.4	Very high	97.3	Very high	62 Å²	62	28.2 Å²	28.2	24%	0.243	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	40.1	174.7	-40.4	-53.2	0	0	0	114.3	N110 P153 Y177 S209 R211	N110-Y182 PolarHBondContact ND2-O 3.33Å; P153-Y182 HydrophobicContact CB-CE1 4.35Å; P153-Y182 HydrophobicContact CB-CE2 4.36Å; Y177-Y182 VanDerWaalsContact CD1-O 3.28Å; Y177-Y182 WeakPolarHBondContact CD1-O 3.45Å; Y177-Y182 AromaticContact CD2-CD1 3.82Å; Y177-Y182 HydrophobicContact CD2-CD1 3.82Å; Y177-Y182 HydrophobicContact CD2-CG 4.27Å; Y177-Y182 WeakPolarHBondContact CE1-O 3.5Å; Y177-Y182 AromaticContact CE2-CD1 3.86Å; Y177-Y182 HydrophobicContact CE2-CD1 3.86Å; Y177-Y182 HydrophobicContact CE2-CG 4.09Å; Y177-Y182 VanDerWaalsContact CG-CA 3.48Å; Y182-S209 WeakPolarHBondContact CA-OG 3.23Å; Y182-S209 PolarHBondContact N-OG 2.89Å; Y182-R211 HydrophobicContact CD1-CB 4.29Å; Y182-R211 HydrophobicContact CD1-CG 4.43Å; Y182-R211 HydrophobicContact CE1-CB 3.85Å; Y182-R211 HydrophobicContact CE1-CG 4.47Å
183	R	97.4	Very high	97.6	Very high	145 Å²	145	31.7 Å²	31.7	55%	0.547	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	160	-175.3	-66.9	179.8	-61.5	136.4	3.1	112.9	Q178 Y179 P180	Q178-R183 PolarHBondContact N-O 2.95Å; Y179-R183 PolarHBondContact N-O 3.5Å; P180-R183 PolarHBondContact O-NE 2.89Å; P180-R183 PolarHBondContact O-NH2 3.47Å
184	G	97.6	Very high	97.8	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.4	-157	-179.8	0	0	0	0	0	112.4	N110	N110-G184 CarbonylContact C-O 3.6Å; N110-G184 WeakPolarHBondContact CB-O 3.38Å; N110-G184 WeakPolarHBondContact O-CA 3.37Å; N110-G184 PolarHBondContact O-N 3.37Å
185	Y	98	Very high	97.8	Very high	63 Å²	63	40 Å²	40	25%	0.247	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143.3	177.1	-67.9	-60.6	0	0	0	111.9	E93 R113 Y177 Q178 Y187	E93-Y185 HydrophobicContact CB-CD1 4.44Å; E93-Y185 HydrophobicContact CB-CE1 4.42Å; E93-Y185 HydrophobicContact CG-CD1 3.87Å; E93-Y185 HydrophobicContact CG-CE1 4.19Å; E93-Y185 WeakPolarHBondContact OE1-CD1 3.5Å; R113-Y185 HydrophobicContact CB-CE1 4.33Å; R113-Y185 HydrophobicContact CG-CE1 4.1Å; Y177-Y185 WeakPolarHBondContact CA-O 3.28Å; Q178-Y185 PolarHBondContact N-O 2.96Å; Q178-Y185 VanDerWaalsContact N-O 3.08Å; Q178-Y185 VanDerWaalsContact OE1-CD2 3.23Å; Y185-Y187 WeakPolarHBondContact CB-OH 3.44Å
186	Q	98.2	Very high	97.8	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141	178.9	-44.9	-174.1	55.2	0	0	109.4	I96 W108 V175 G176 Y177	I96-Q186 HydrophobicContact CG1-CB 4.48Å; W108-Q186 PolarHBondContact O-NE2 3.04Å; W108-Q186 VanDerWaalsContact O-NE2 3.12Å; V175-Q186 HydrophobicContact CG2-CB 3.97Å; G176-Q186 CarbonylContact O-C 3.6Å; G176-Q186 WeakPolarHBondContact O-CA 3.24Å; Y177-Q186 HydrophobicContact CD1-CB 4.48Å; Y177-Q186 HydrophobicContact CD1-CG 3.91Å; Y177-Q186 HydrophobicContact CE1-CB 4.27Å; Y177-Q186 HydrophobicContact CE1-CG 3.59Å
187	Y	98.4	Very high	97.7	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.4	178.5	-52.1	-68.9	0	0	0	109.8	V175 G176 Y185 F189 F200 A202 I207	V175-Y187 WeakPolarHBondContact CA-O 3.46Å; G176-Y187 PolarHBondContact N-O 2.85Å; G176-Y187 PolarHBondContact O-N 2.77Å; Y185-Y187 WeakPolarHBondContact CB-OH 3.44Å; Y187-F189 WeakPolarHBondContact O-CD2 3.37Å; Y187-F200 HydrophobicContact CD1-CD2 4.34Å; Y187-F200 HydrophobicContact CG-CD2 4.23Å; Y187-A202 HydrophobicContact CD1-CB 3.92Å; Y187-A202 VanDerWaalsContact CE1-CA 3.49Å; Y187-A202 HydrophobicContact CE1-CB 3.47Å; Y187-A202 VanDerWaalsContact CE1-CB 3.47Å; Y187-A202 HydrophobicContact CE2-CB 4.35Å; Y187-I207 HydrophobicContact CD2-CD1 4.07Å; Y187-I207 HydrophobicContact CD2-CG1 4Å; Y187-I207 HydrophobicContact CE2-CG1 4.18Å
188	L	98.2	Very high	97.6	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.9	178.8	177.4	62	0	0	0	111	V83 M94 I96 I123 E190 I213	V83-L188 HydrophobicContact CB-CD2 4.03Å; V83-L188 HydrophobicContact CG1-CD2 3.79Å; V83-L188 HydrophobicContact CG2-CD2 4.31Å; M94-L188 HydrophobicContact SD-CB 3.93Å; I96-L188 HydrophobicContact CD1-CB 4.1Å; I96-L188 HydrophobicContact CD1-CD1 4.22Å; I123-L188 HydrophobicContact CD1-CD1 3.98Å; I123-L188 HydrophobicContact CD1-CD2 4.38Å; I123-L188 HydrophobicContact CG1-CD1 4.39Å; I123-L188 HydrophobicContact CG1-CD2 4.08Å; I123-L188 HydrophobicContact CG2-CD1 3.98Å; I123-L188 HydrophobicContact CG2-CD2 4.4Å; L188-E190 HydrophobicContact CD1-CG 4.27Å; L188-E190 HydrophobicContact CD2-CG 4.1Å; L188-E190 HydrophobicContact CG-CG 4.11Å; L188-I213 HydrophobicContact CD1-CD1 3.39Å
189	F	98.1	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	97.6	174	-65.9	-75.8	0	0	0	109.6	I132 V167 V169 A173 W174 Y187 Y194 F200 I207 M210	I132-F189 HydrophobicContact CD1-CB 4.23Å; I132-F189 HydrophobicContact CD1-CD2 4.47Å; I132-F189 HydrophobicContact CD1-CG 4.29Å; V167-F189 HydrophobicContact CB-CD1 4.09Å; V167-F189 HydrophobicContact CB-CE1 3.82Å; V167-F189 HydrophobicContact CG1-CD1 3.77Å; V167-F189 HydrophobicContact CG1-CE1 3.95Å; V167-F189 HydrophobicContact CG1-CG 4.41Å; V167-F189 HydrophobicContact CG2-CD1 4.29Å; V167-F189 HydrophobicContact CG2-CE1 3.6Å; V167-F189 HydrophobicContact CG2-CZ 3.97Å; V169-F189 HydrophobicContact CG2-CB 3.87Å; A173-F189 WeakPolarHBondContact CA-O 3.35Å; W174-F189 HydrophobicContact CB-CB 4.05Å; W174-F189 PolarHBondContact N-O 3.06Å; W174-F189 PolarHBondContact O-N 3.24Å; Y187-F189 WeakPolarHBondContact O-CD2 3.37Å; F189-Y194 HydrophobicContact CD1-CD2 4.08Å; F189-Y194 HydrophobicContact CD1-CE1 4.48Å; F189-Y194 HydrophobicContact CD1-CE2 4.06Å; F189-Y194 HydrophobicContact CD1-CG 4.34Å; F189-F200 HydrophobicContact CD1-CB 4.26Å; F189-F200 HydrophobicContact CE1-CB 3.58Å; F189-F200 AromaticContact CE1-CD1 3.41Å; F189-F200 HydrophobicContact CE1-CD1 3.41Å; F189-F200 VanDerWaalsContact CE1-CD1 3.41Å; F189-F200 HydrophobicContact CE1-CD2 4.11Å; F189-F200 AromaticContact CE1-CE1 3.94Å; F189-F200 HydrophobicContact CE1-CE1 3.94Å; F189-F200 AromaticContact CE1-CG 3.46Å; F189-F200 HydrophobicContact CE1-CG 3.46Å; F189-F200 VanDerWaalsContact CE1-CG 3.46Å; F189-F200 HydrophobicContact CZ-CB 3.98Å; F189-F200 AromaticContact CZ-CD1 3.88Å; F189-F200 HydrophobicContact CZ-CD1 3.88Å; F189-F200 AromaticContact CZ-CD2 3.79Å; F189-F200 HydrophobicContact CZ-CD2 3.79Å; F189-F200 HydrophobicContact CZ-CE1 4.15Å; F189-F200 HydrophobicContact CZ-CE2 4.12Å; F189-F200 AromaticContact CZ-CG 3.64Å; F189-F200 HydrophobicContact CZ-CG 3.64Å; F189-F200 HydrophobicContact CZ-CZ 4.27Å; F189-I207 HydrophobicContact CE2-CD1 3.95Å; F189-I207 HydrophobicContact CZ-CD1 3.74Å; F189-M210 HydrophobicContact CD2-CE 4.21Å; F189-M210 HydrophobicContact CD2-SD 4.28Å; F189-M210 HydrophobicContact CE2-CE 4Å
190	E	96.3	Very high	97.4	Very high	7 Å²	7	48 Å²	48	3%	0.033	24%	0.24	C	C	.	.			trans	-86.3	165.7	167	-63.1	176.8	156.2	0	0	109.9	R121 I123 R124 L188 G192 Y194	R121-E190 IonicContact CZ-OE1 3.04Å; R121-E190 IonicContact NH1-OE1 3.58Å; R121-E190 PolarHBondContact NH1-OE1 2.95Å; R121-E190 IonicContact NH1-OE2 3.04Å; R121-E190 IonicContact NH2-OE1 3.57Å; R121-E190 PolarHBondContact NH2-OE1 2.78Å; R121-E190 IonicContact NH2-OE2 3.77Å; R121-E190 PolarHBondContact NH2-OE2 2.87Å; I123-E190 HydrophobicContact CG2-CG 4.26Å; R124-E190 IonicContact CZ-OE2 3.33Å; R124-E190 PolarHBondContact N-OE1 2.99Å; R124-E190 IonicContact NE-OE1 3.97Å; R124-E190 IonicContact NE-OE2 3.69Å; R124-E190 PolarHBondContact NE-OE2 3.46Å; R124-E190 IonicContact NH2-OE2 3.01Å; R124-E190 PolarHBondContact NH2-OE2 3.29Å; L188-E190 HydrophobicContact CD1-CG 4.27Å; L188-E190 HydrophobicContact CD2-CG 4.1Å; L188-E190 HydrophobicContact CG-CG 4.11Å; E190-G192 PolarHBondContact O-N 2.65Å; E190-Y194 PolarHBondContact N-OH 3.47Å; E190-Y194 WeakPolarHBondContact O-CE2 3.45Å; E190-Y194 PolarHBondContact O-OH 2.77Å
191	C	95.9	Very high	97.2	Very high	51 Å²	51	50 Å²	50	35%	0.345	25%	0.254	S	S	.	.	S	Bend	trans	-44.7	124.5	174.3	-86.9	0	0	0	0	113.2	D126 V169 G171	D126-C191 PolarHBondContact OD2-SG 3.38Å; V169-C191 WeakPolarHBondContact O-CA 3.43Å; G171-C191 WeakPolarHBondContact CA-SG 3.36Å
192	G	96.8	Very high	97	Very high	31 Å²	31	48.3 Å²	48.3	32%	0.32	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	151.6	-177.6	-177.3	0	0	0	0	0	115.1	V169 E190	V169-G192 PolarHBondContact N-O 3.43Å; V169-G192 PolarHBondContact O-N 2.99Å; E190-G192 PolarHBondContact O-N 2.65Å
193	D	98.4	Very high	96.8	Very high	74 Å²	74	53.7 Å²	53.7	40%	0.396	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.3	-178.6	-92.7	12.9	0	0	0	109.4	F140 R168	F140-D193 HydrophobicContact CZ-CB 3.82Å; R168-D193 WeakPolarHBondContact CD-OD1 3.48Å; R168-D193 VanDerWaalsContact CG-OD1 3.24Å; R168-D193 WeakPolarHBondContact CG-OD1 3.38Å; R168-D193 IonicContact CZ-OD1 3.29Å; R168-D193 IonicContact CZ-OD2 3.54Å; R168-D193 IonicContact NE-OD1 2.92Å; R168-D193 PolarHBondContact NE-OD1 2.94Å; R168-D193 IonicContact NE-OD2 2.99Å; R168-D193 PolarHBondContact NE-OD2 2.84Å; R168-D193 IonicContact NH2-OD1 2.72Å; R168-D193 IonicContact NH2-OD2 3.69Å; R168-D193 PolarHBondContact NH2-OD2 2.79Å
194	Y	98.5	Very high	96.7	Very high	34 Å²	34	51.7 Å²	51.7	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	102.1	177.8	-54.9	-100	0	0	0	108.1	S166 V167 V169 F189 E190 D199 F200	S166-Y194 CarbonylContact C-O 3.55Å; S166-Y194 VanDerWaalsContact CA-O 3.29Å; S166-Y194 WeakPolarHBondContact CA-O 3.08Å; S166-Y194 WeakPolarHBondContact CB-O 3.42Å; V167-Y194 HydrophobicContact CB-CD2 4.3Å; V167-Y194 HydrophobicContact CG1-CD2 4.43Å; V167-Y194 PolarHBondContact N-O 2.87Å; V167-Y194 WeakPolarHBondContact O-CA 3.41Å; V167-Y194 PolarHBondContact O-N 2.89Å; V169-Y194 HydrophobicContact CG2-CD2 4.41Å; V169-Y194 HydrophobicContact CG2-CE2 3.91Å; F189-Y194 HydrophobicContact CD1-CD2 4.08Å; F189-Y194 HydrophobicContact CD1-CE1 4.48Å; F189-Y194 HydrophobicContact CD1-CE2 4.06Å; F189-Y194 HydrophobicContact CD1-CG 4.34Å; E190-Y194 PolarHBondContact N-OH 3.47Å; E190-Y194 WeakPolarHBondContact O-CE2 3.45Å; E190-Y194 PolarHBondContact O-OH 2.77Å; Y194-D199 HydrophobicContact CD1-CB 4.02Å; Y194-F200 HydrophobicContact CD1-CB 4.07Å; Y194-F200 HydrophobicContact CD1-CD1 4.39Å; Y194-F200 HydrophobicContact CE1-CB 4.44Å; Y194-F200 HydrophobicContact CG-CD1 4.43Å
195	R	98.4	Very high	96.7	Very high	140 Å²	140	52.7 Å²	52.7	53%	0.528	26%	0.264	S	S	.	.			trans	-82.6	-19.5	-171.2	-70.5	-175.5	-178.4	133.3	3.9	113.1	S138 D139 F140 S166 D199	S138-R195 CarbonylContact C-O 3.46Å; S138-R195 VanDerWaalsContact CA-O 3.31Å; S138-R195 WeakPolarHBondContact CA-O 3.36Å; S138-R195 WeakPolarHBondContact CB-O 3.33Å; D139-R195 PolarHBondContact N-O 2.86Å; F140-R195 HydrophobicContact CE1-CG 4.38Å; F140-R195 HydrophobicContact CE2-CG 3.78Å; F140-R195 HydrophobicContact CZ-CG 3.55Å; S166-R195 WeakPolarHBondContact CB-O 3.29Å; R195-D199 PolarHBondContact N-OD2 3.01Å
196	H	98.4	Very high	96.7	Very high	56 Å²	56	51.6 Å²	51.6	26%	0.259	26%	0.261	S	S	.	.	S	Bend	trans	-142.6	155.2	-179.8	-169.1	-93.2	0	0	0	111	S138 G165 N198 D199	S138-H196 PolarHBondContact OG-CD2 2.97Å; G165-H196 CarbonylContact O-C 3.48Å; G165-H196 WeakPolarHBondContact O-CA 3.26Å; H196-N198 PolarHBondContact CE1-ND2 3.3Å; H196-N198 VanDerWaalsContact ND1-CG 3.34Å; H196-N198 PolarHBondContact ND1-N 2.87Å; H196-N198 PolarHBondContact ND1-ND2 3Å; H196-N198 PolarHBondContact O-N 3.44Å; H196-N198 VanDerWaalsContact O-N 3.11Å; H196-D199 PolarHBondContact N-OD2 3.33Å; H196-D199 VanDerWaalsContact O-CB 3.26Å; H196-D199 WeakPolarHBondContact O-CB 3.31Å; H196-D199 PolarHBondContact O-N 2.76Å
197	Y	96.8	Very high	96.7	Very high	58 Å²	58	51.3 Å²	51.3	23%	0.227	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.1	-21.3	-178.4	63.7	-96.8	0	0	0	114.7	G165 D199 F200 A202 P205	G165-Y197 PolarHBondContact O-N 3.03Å; Y197-D199 VanDerWaalsContact C-N 3.26Å; Y197-D199 PolarHBondContact O-N 2.91Å; Y197-F200 VanDerWaalsContact CA-CE1 3.43Å; Y197-F200 WeakPolarHBondContact O-CD2 3.34Å; Y197-F200 PolarHBondContact O-N 3.44Å; Y197-A202 WeakPolarHBondContact CD2-O 3.22Å; Y197-A202 PolarHBondContact O-N 2.87Å; Y197-A202 VanDerWaalsContact O-N 3.11Å; Y197-P205 HydrophobicContact CD1-CB 3.71Å; Y197-P205 HydrophobicContact CD1-CG 4.06Å; Y197-P205 HydrophobicContact CE1-CB 4.46Å; Y197-P205 HydrophobicContact CE1-CG 4.32Å; Y197-P205 HydrophobicContact CG-CB 3.92Å
198	N	96	Very high	96.7	Very high	94 Å²	94	51.6 Å²	51.6	50%	0.503	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.7	-26.8	171.7	-67.2	-14.2	0	0	0	112.6	H196 F200 C201	H196-N198 PolarHBondContact CE1-ND2 3.3Å; H196-N198 VanDerWaalsContact ND1-CG 3.34Å; H196-N198 PolarHBondContact ND1-N 2.87Å; H196-N198 PolarHBondContact ND1-ND2 3Å; H196-N198 PolarHBondContact O-N 3.44Å; H196-N198 VanDerWaalsContact O-N 3.11Å; N198-F200 PolarHBondContact O-N 2.98Å; N198-C201 PolarHBondContact O-N 2.87Å
199	D	96.6	Very high	96.8	Very high	81 Å²	81	51.1 Å²	51.1	43%	0.433	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-69.2	-23.4	-177.3	-59.8	-19.4	0	0	0	111.8	Y194 R195 H196 Y197	Y194-D199 HydrophobicContact CD1-CB 4.02Å; R195-D199 PolarHBondContact N-OD2 3.01Å; H196-D199 PolarHBondContact N-OD2 3.33Å; H196-D199 VanDerWaalsContact O-CB 3.26Å; H196-D199 WeakPolarHBondContact O-CB 3.31Å; H196-D199 PolarHBondContact O-N 2.76Å; Y197-D199 VanDerWaalsContact C-N 3.26Å; Y197-D199 PolarHBondContact O-N 2.91Å
200	F	94.6	Very high	96.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-107.5	23.3	172	52.9	-100.1	0	0	0	112.5	V167 Y187 F189 Y194 Y197 N198 A202 I207	V167-F200 HydrophobicContact CG2-CE1 4.12Å; Y187-F200 HydrophobicContact CD1-CD2 4.34Å; Y187-F200 HydrophobicContact CG-CD2 4.23Å; F189-F200 HydrophobicContact CD1-CB 4.26Å; F189-F200 HydrophobicContact CE1-CB 3.58Å; F189-F200 AromaticContact CE1-CD1 3.41Å; F189-F200 HydrophobicContact CE1-CD1 3.41Å; F189-F200 VanDerWaalsContact CE1-CD1 3.41Å; F189-F200 HydrophobicContact CE1-CD2 4.11Å; F189-F200 AromaticContact CE1-CE1 3.94Å; F189-F200 HydrophobicContact CE1-CE1 3.94Å; F189-F200 AromaticContact CE1-CG 3.46Å; F189-F200 HydrophobicContact CE1-CG 3.46Å; F189-F200 VanDerWaalsContact CE1-CG 3.46Å; F189-F200 HydrophobicContact CZ-CB 3.98Å; F189-F200 AromaticContact CZ-CD1 3.88Å; F189-F200 HydrophobicContact CZ-CD1 3.88Å; F189-F200 AromaticContact CZ-CD2 3.79Å; F189-F200 HydrophobicContact CZ-CD2 3.79Å; F189-F200 HydrophobicContact CZ-CE1 4.15Å; F189-F200 HydrophobicContact CZ-CE2 4.12Å; F189-F200 AromaticContact CZ-CG 3.64Å; F189-F200 HydrophobicContact CZ-CG 3.64Å; F189-F200 HydrophobicContact CZ-CZ 4.27Å; Y194-F200 HydrophobicContact CD1-CB 4.07Å; Y194-F200 HydrophobicContact CD1-CD1 4.39Å; Y194-F200 HydrophobicContact CE1-CB 4.44Å; Y194-F200 HydrophobicContact CG-CD1 4.43Å; Y197-F200 VanDerWaalsContact CA-CE1 3.43Å; Y197-F200 WeakPolarHBondContact O-CD2 3.34Å; Y197-F200 PolarHBondContact O-N 3.44Å; N198-F200 PolarHBondContact O-N 2.98Å; F200-A202 HydrophobicContact CD2-CB 3.58Å; F200-A202 HydrophobicContact CE2-CB 3.39Å; F200-A202 PolarHBondContact O-N 3.26Å; F200-A202 VanDerWaalsContact O-N 3.14Å; F200-I207 HydrophobicContact CE2-CD1 3.95Å; F200-I207 HydrophobicContact CZ-CD1 4.23Å
201	C	93.6	Very high	96.8	Very high	79 Å²	79	52.1 Å²	52.1	53%	0.534	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	21.2	174.9	-55.7	0	0	0	0	115.5	M94 N198	M94-C201 HydrophobicContact CE-CB 3.58Å; N198-C201 PolarHBondContact O-N 2.87Å
202	A	94.6	Very high	96.8	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	25%	0.253	C	S	.	.			trans	-77.1	141.9	174.7	0	0	0	0	0	111.4	Y187 Y197 F200 Q204	Y187-A202 HydrophobicContact CD1-CB 3.92Å; Y187-A202 VanDerWaalsContact CE1-CA 3.49Å; Y187-A202 HydrophobicContact CE1-CB 3.47Å; Y187-A202 VanDerWaalsContact CE1-CB 3.47Å; Y187-A202 HydrophobicContact CE2-CB 4.35Å; Y197-A202 WeakPolarHBondContact CD2-O 3.22Å; Y197-A202 PolarHBondContact O-N 2.87Å; Y197-A202 VanDerWaalsContact O-N 3.11Å; F200-A202 HydrophobicContact CD2-CB 3.58Å; F200-A202 HydrophobicContact CE2-CB 3.39Å; F200-A202 PolarHBondContact O-N 3.26Å; F200-A202 VanDerWaalsContact O-N 3.14Å; A202-Q204 WeakPolarHBondContact CB-O 3.41Å
203	F	91.9	Very high	96.6	Very high	174 Å²	174	50 Å²	50	76%	0.763	24%	0.238	S	C	*	.	S	Bend	trans	-77.4	-30.7	174	-178.5	-109.5	0	0	0	112.2
204	Q	95.7	Very high	95.6	Very high	104 Å²	104	48.5 Å²	48.5	49%	0.486	23%	0.226	S	C	.	.	S	Bend	trans	-137.7	151.4	176.5	-70.3	176.1	9.2	0	0	108.5	A202 Q206	A202-Q204 WeakPolarHBondContact CB-O 3.41Å; Q204-Q206 PolarHBondContact O-N 3.04Å
205	P	97.5	Very high	94.1	Very high	24 Å²	24	47.6 Å²	47.6	16%	0.156	22%	0.224	C	C	.	.	S	Bend	trans	-74.5	44.5	179.8	32.9	-37.2	0	0	0	112	R163 V164 Y197	R163-P205 CarbonylContact C-O 3.59Å; R163-P205 VanDerWaalsContact CA-O 3.22Å; R163-P205 WeakPolarHBondContact CA-O 3.4Å; R163-P205 HydrophobicContact CG-CB 4.22Å; R163-P205 HydrophobicContact CG-CG 4.11Å; V164-P205 PolarHBondContact N-O 3.07Å; V164-P205 WeakPolarHBondContact O-CA 3.36Å; V164-P205 WeakPolarHBondContact O-CB 3.21Å; Y197-P205 HydrophobicContact CD1-CB 3.71Å; Y197-P205 HydrophobicContact CD1-CG 4.06Å; Y197-P205 HydrophobicContact CE1-CB 4.46Å; Y197-P205 HydrophobicContact CE1-CG 4.32Å; Y197-P205 HydrophobicContact CG-CB 3.92Å
206	Q	98.3	Very high	92.3	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-103.6	110.2	-175.5	-170.4	178.9	40.3	0	0	111.1	D162 Q178 Q204	D162-Q206 HydrophobicContact CB-CG 4.38Å; D162-Q206 CarbonylContact O-C 3.49Å; D162-Q206 VanDerWaalsContact O-CA 3.24Å; D162-Q206 WeakPolarHBondContact O-CA 3.46Å; D162-Q206 PolarHBondContact OD2-NE2 2.93Å; Q178-Q206 HydrophobicContact CG-CG 4.2Å; Q204-Q206 PolarHBondContact O-N 3.04Å
207	I	98.6	Very high	90.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.			trans	-139.8	132	175	-62.4	179.5	0	0	0	108.1	L155 D162 V164 Y177 Y187 F189 F200 M210	L155-I207 HydrophobicContact CD1-CG2 4.32Å; L155-I207 WeakPolarHBondContact CD1-O 3.34Å; D162-I207 CarbonylContact C-O 3.57Å; D162-I207 WeakPolarHBondContact CA-O 3.34Å; D162-I207 PolarHBondContact O-N 3.13Å; V164-I207 HydrophobicContact CB-CB 4.12Å; V164-I207 HydrophobicContact CB-CD1 4.13Å; V164-I207 HydrophobicContact CB-CG1 4.33Å; V164-I207 HydrophobicContact CG1-CD1 4.23Å; V164-I207 HydrophobicContact CG2-CB 3.78Å; V164-I207 HydrophobicContact CG2-CG2 4.36Å; Y177-I207 CarbonylContact O-C 3.59Å; Y177-I207 WeakPolarHBondContact O-CA 3.47Å; Y187-I207 HydrophobicContact CD2-CD1 4.07Å; Y187-I207 HydrophobicContact CD2-CG1 4Å; Y187-I207 HydrophobicContact CE2-CG1 4.18Å; F189-I207 HydrophobicContact CE2-CD1 3.95Å; F189-I207 HydrophobicContact CZ-CD1 3.74Å; F200-I207 HydrophobicContact CE2-CD1 3.95Å; F200-I207 HydrophobicContact CZ-CD1 4.23Å; I207-M210 HydrophobicContact CG2-CE 4.1Å
208	Q	98.6	Very high	88.4	Confident	21 Å²	21	47.2 Å²	47.2	10%	0.098	23%	0.23	C	C	.	.			trans	-130.6	-9.2	-175.6	-69.8	-176	73.9	0	0	114.2	T154 L155 D162 Y177 Q178 P180	T154-Q208 CarbonylContact C-O 3.54Å; T154-Q208 VanDerWaalsContact CA-O 3.29Å; T154-Q208 WeakPolarHBondContact CA-O 3.35Å; L155-Q208 PolarHBondContact N-O 3.03Å; D162-Q208 HydrophobicContact CB-CG 3.37Å; Y177-Q208 PolarHBondContact O-N 3.03Å; Q178-Q208 WeakPolarHBondContact O-CG 3.38Å; Q178-Q208 PolarHBondContact O-NE2 3.3Å; P180-Q208 HydrophobicContact CG-CB 3.97Å
209	S	98.6	Very high	86.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.4	168.3	59.9	0	0	0	0	111.1	V152 P153 G176 Y177 Y179 Y182	V152-S209 WeakPolarHBondContact O-CA 3.47Å; V152-S209 VanDerWaalsContact O-CB 3.31Å; V152-S209 WeakPolarHBondContact O-CB 3.31Å; P153-S209 VanDerWaalsContact O-CB 3.26Å; P153-S209 WeakPolarHBondContact O-CB 3.48Å; G176-S209 WeakPolarHBondContact CA-O 3.37Å; Y177-S209 WeakPolarHBondContact CB-OG 3.28Å; Y177-S209 PolarHBondContact N-O 3.44Å; Y177-S209 PolarHBondContact O-N 2.8Å; Y179-S209 PolarHBondContact O-OG 2.92Å; Y182-S209 WeakPolarHBondContact CA-OG 3.23Å; Y182-S209 PolarHBondContact N-OG 2.89Å
210	M	98.2	Very high	84.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.6	-172.9	-173.6	66.2	62.3	0	0	108.7	I132 L134 I147 V152 L155 W174 V175 F189 I207	I132-M210 HydrophobicContact CD1-CE 4.06Å; I132-M210 HydrophobicContact CD1-SD 3.93Å; I132-M210 HydrophobicContact CG2-CG 4.43Å; L134-M210 HydrophobicContact CD1-CE 4.32Å; L134-M210 HydrophobicContact CD2-CE 3.83Å; I147-M210 HydrophobicContact CD1-CB 3.93Å; I147-M210 HydrophobicContact CD1-CG 4.01Å; V152-M210 CarbonylContact C-O 3.56Å; V152-M210 PolarHBondContact N-O 3.28Å; V152-M210 PolarHBondContact O-N 3.47Å; V152-M210 VanDerWaalsContact O-O 3.13Å; L155-M210 HydrophobicContact CD2-CB 4.47Å; W174-M210 HydrophobicContact CB-SD 3.95Å; W174-M210 HydrophobicContact CE3-CG 3.74Å; W174-M210 HydrophobicContact CE3-SD 4.36Å; W174-M210 HydrophobicContact CZ3-CG 4.24Å; V175-M210 VanDerWaalsContact C-SD 3.54Å; V175-M210 WeakPolarHBondContact O-CA 3.37Å; V175-M210 VanDerWaalsContact O-SD 3.39Å; F189-M210 HydrophobicContact CD2-CE 4.21Å; F189-M210 HydrophobicContact CD2-SD 4.28Å; F189-M210 HydrophobicContact CE2-CE 4Å; I207-M210 HydrophobicContact CG2-CE 4.1Å
211	R	97	Very high	81.6	Confident	28 Å²	28	58 Å²	58	11%	0.106	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.2	170.9	71.2	-179.7	-175.7	89.9	-14	110.8	E98 D151 W174 V175 Y177 Y182	E98-R211 IonicContact OE1-CZ 2.83Å; E98-R211 IonicContact OE1-NH1 3.1Å; E98-R211 PolarHBondContact OE1-NH1 2.96Å; E98-R211 IonicContact OE1-NH2 2.68Å; E98-R211 IonicContact OE2-CZ 3.87Å; E98-R211 IonicContact OE2-NH1 2.85Å; E98-R211 PolarHBondContact OE2-NH1 3.1Å; E98-R211 VanDerWaalsContact OE2-NH1 3.11Å; E98-R211 IonicContact OE2-NH2 2.95Å; E98-R211 PolarHBondContact OE2-NH2 2.75Å; D151-R211 HydrophobicContact CB-CB 3.91Å; W174-R211 WeakPolarHBondContact CA-O 3.41Å; V175-R211 HydrophobicContact CG1-CG 3.44Å; V175-R211 VanDerWaalsContact CG1-CG 3.44Å; V175-R211 PolarHBondContact N-O 2.79Å; V175-R211 PolarHBondContact O-N 3.18Å; Y177-R211 HydrophobicContact CE2-CG 4.01Å; Y177-R211 PolarHBondContact OH-NE 2.93Å; Y177-R211 PolarHBondContact OH-NH2 3.44Å; Y182-R211 HydrophobicContact CD1-CB 4.29Å; Y182-R211 HydrophobicContact CD1-CG 4.43Å; Y182-R211 HydrophobicContact CE1-CB 3.85Å; Y182-R211 HydrophobicContact CE1-CG 4.47Å
212	R	95.3	Very high	79.1	Confident	38 Å²	38	57.1 Å²	57.1	14%	0.143	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.6	170.4	-60.6	169.2	-70.9	-176.4	-13.3	110.5	H130 E149 D151 W174	H130-R212 HydrophobicContact CB-CG 3.86Å; H130-R212 VanDerWaalsContact CD2-CG 3.47Å; H130-R212 WeakPolarHBondContact CD2-CG 3.03Å; E149-R212 PolarHBondContact O-NH1 3.38Å; E149-R212 PolarHBondContact O-NH2 2.95Å; E149-R212 IonicContact OE2-NH1 3.32Å; E149-R212 PolarHBondContact OE2-NH1 2.9Å; D151-R212 IonicContact OD1-CZ 2.77Å; D151-R212 PolarHBondContact OD1-N 3.25Å; D151-R212 IonicContact OD1-NE 3.87Å; D151-R212 PolarHBondContact OD1-NE 3.35Å; D151-R212 IonicContact OD1-NH2 3Å; W174-R212 HydrophobicContact CD2-CG 4.19Å; W174-R212 HydrophobicContact CE3-CG 3.79Å; W174-R212 HydrophobicContact CH2-CG 3.67Å; W174-R212 HydrophobicContact CZ2-CG 4.09Å; W174-R212 HydrophobicContact CZ3-CG 3.51Å
213	I	93.5	Very high	76.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.285	C	S	.	.			trans	-88.2	128.4	168.9	-61	178.8	0	0	0	107.3	P81 I96 E98 I123 M125 A173 V175 L188	P81-I213 HydrophobicContact CB-CG2 3.96Å; P81-I213 HydrophobicContact CG-CG2 3.67Å; I96-I213 HydrophobicContact CD1-CD1 4.49Å; I96-I213 HydrophobicContact CG2-CD1 3.95Å; I96-I213 HydrophobicContact CG2-CG1 4.26Å; I96-I213 HydrophobicContact CG2-CG2 4.43Å; E98-I213 HydrophobicContact CG-CG2 4.37Å; I123-I213 HydrophobicContact CD1-CD1 3.99Å; M125-I213 HydrophobicContact CE-CG2 4.46Å; M125-I213 WeakPolarHBondContact CE-O 3.24Å; M125-I213 HydrophobicContact SD-CG2 4.35Å; A173-I213 HydrophobicContact CB-CB 4.18Å; A173-I213 HydrophobicContact CB-CD1 4.32Å; A173-I213 PolarHBondContact O-N 2.99Å; V175-I213 HydrophobicContact CB-CD1 4.23Å; V175-I213 HydrophobicContact CB-CG1 4.15Å; V175-I213 HydrophobicContact CG1-CG1 3.99Å; L188-I213 HydrophobicContact CD1-CD1 3.39Å
214	R	76.1	Confident	74.1	Confident	43 Å²	43	60.6 Å²	60.6	16%	0.162	29%	0.29	C	S	.	.			trans	-111.1	124.1	-176.8	-61.5	178.4	179.6	87.8	0.1	109.6	E98 D151 H219 R221	E98-R214 PolarHBondContact OE1-N 2.81Å; D151-R214 IonicContact OD1-NH2 2.8Å; D151-R214 IonicContact OD2-CZ 2.68Å; D151-R214 VanDerWaalsContact OD2-CZ 3.29Å; D151-R214 IonicContact OD2-NH1 3.39Å; D151-R214 PolarHBondContact OD2-NH1 3.44Å; D151-R214 IonicContact OD2-NH2 3.52Å; D151-R214 PolarHBondContact OD2-NH2 3.26Å; R214-H219 HydrophobicContact CG-CB 4.45Å; R214-R221 PolarHBondContact NE-O 3.14Å; R214-R221 VanDerWaalsContact NE-O 3.13Å
215	D	67.8	Low	71.4	Confident	14 Å²	14	61 Å²	61	8%	0.075	30%	0.3	C	S	.	.			trans	-88.7	-6.6	176.5	63.5	3	0	0	0	113.7	P81 M125 Q217 F218 H219	P81-D215 HydrophobicContact CG-CB 4.48Å; M125-D215 HydrophobicContact CE-CB 4.05Å; M125-D215 HydrophobicContact CG-CB 4.15Å; D215-Q217 PolarHBondContact O-N 3.37Å; D215-Q217 PolarHBondContact OD1-N 3.19Å; D215-F218 PolarHBondContact OD1-N 2.92Å; D215-F218 WeakPolarHBondContact OD2-CD2 3.32Å; D215-H219 PolarHBondContact OD1-N 3.34Å; D215-H219 IonicContact OD1-ND1 3.72Å
216	M	61	Low	68.9	Low	72 Å²	72	67.7 Å²	67.7	36%	0.355	33%	0.326	S	S	.	.	S	Bend	trans	56.1	3.6	-169.2	-56.9	-145.2	-66.9	0	0	115.5	K99 Q220 C223	K99-M216 HydrophobicContact CB-CE 4.41Å; K99-M216 HydrophobicContact CD-CE 3.74Å; K99-M216 HydrophobicContact CG-CE 4.44Å; M216-Q220 VanDerWaalsContact O-CG 3.31Å; M216-Q220 WeakPolarHBondContact O-CG 3.32Å; M216-C223 HydrophobicContact SD-CB 3.73Å
217	Q	58.6	Low	65.9	Low	75 Å²	75	72.2 Å²	72.2	35%	0.35	36%	0.357	S	S	.	.	S	Bend	trans	-91.7	-51.8	175.4	-66.1	-178.7	31.8	0	0	110	D215	D215-Q217 PolarHBondContact O-N 3.37Å; D215-Q217 PolarHBondContact OD1-N 3.19Å
218	F	53.4	Low	62.9	Low	100 Å²	100	78.3 Å²	78.3	44%	0.439	39%	0.394	S	S	.	.	S	Bend	trans	-100.8	-26.9	177.3	-56	-61.2	0	0	0	111.9	D215	D215-F218 PolarHBondContact OD1-N 2.92Å; D215-F218 WeakPolarHBondContact OD2-CD2 3.32Å
219	H	56.2	Low	60	Low	35 Å²	35	81.8 Å²	81.8	16%	0.162	43%	0.427	C	S	.	.			trans	-124.4	77.5	-171	-56.4	94.2	0	0	0	112.3	H130 R214 D215	H130-H219 AromaticContact CE1-CD2 3.44Å; H130-H219 PolarHBondContact CE1-CD2 2.68Å; H130-H219 VanDerWaalsContact CE1-CD2 3.44Å; H130-H219 AromaticContact CE1-CE1 3.38Å; H130-H219 PolarHBondContact CE1-CE1 3.13Å; H130-H219 AromaticContact CE1-CG 3.66Å; H130-H219 AromaticContact CE1-ND1 3.61Å; H130-H219 AromaticContact CE1-NE2 3.25Å; H130-H219 PolarHBondContact CE1-NE2 3.07Å; H130-H219 AromaticContact ND1-CD2 3.56Å; H130-H219 AromaticContact ND1-CE1 3.94Å; H130-H219 AromaticContact ND1-NE2 3.35Å; H130-H219 PolarHBondContact ND1-NE2 3.5Å; R214-H219 HydrophobicContact CG-CB 4.45Å; D215-H219 PolarHBondContact OD1-N 3.34Å; D215-H219 IonicContact OD1-ND1 3.72Å
220	Q	48.9	Very low	57.1	Low	137 Å²	137	87.4 Å²	87.4	64%	0.64	47%	0.466	S	S	*	.			trans	-83	-20.3	-173	-68.8	-178.6	2.5	0	0	115.7	M216 C223	M216-Q220 VanDerWaalsContact O-CG 3.31Å; M216-Q220 WeakPolarHBondContact O-CG 3.32Å; Q220-C223 PolarHBondContact O-SG 3.09Å
221	R	40.1	Very low	54.2	Low	230 Å²	230	100.6 Å²	100.6	87%	0.868	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	131.3	-173.3	-69.8	-173.3	178.6	-173.2	1.1	112.2	R214	R214-R221 PolarHBondContact NE-O 3.14Å; R214-R221 VanDerWaalsContact NE-O 3.13Å
222	G	40.4	Very low	52	Low	62 Å²	62	104.2 Å²	104.2	64%	0.639	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	15.2	173.7	0	0	0	0	0	115.8
223	C	43.2	Very low	49.7	Very low	52 Å²	52	107.7 Å²	107.7	35%	0.351	57%	0.565	S	S	.	*			trans	-71.5	142.4	173	54.6	0	0	0	0	111.7	M216 Q220 T225	M216-C223 HydrophobicContact SD-CB 3.73Å; Q220-C223 PolarHBondContact O-SG 3.09Å; C223-T225 PolarHBondContact O-N 3.38Å; C223-T225 VanDerWaalsContact O-N 3.07Å
224	F	39.3	Very low	47.3	Very low	198 Å²	198	113.7 Å²	113.7	87%	0.868	60%	0.597	S	S	*	*			trans	-69	100.9	160.7	-72.1	-84.3	0	0	0	107.2	F226	F224-F226 PolarHBondContact O-N 3.3Å
225	T	39.5	Very low	45.6	Very low	114 Å²	114	117.8 Å²	117.8	70%	0.699	62%	0.622	S	S	*	*			trans	-64.7	107.7	172.3	49	0	0	0	0	108.4	C223 T227	C223-T225 PolarHBondContact O-N 3.38Å; C223-T225 VanDerWaalsContact O-N 3.07Å; T225-T227 PolarHBondContact O-N 2.68Å; T225-T227 VanDerWaalsContact O-N 3.13Å
226	F	43.5	Very low	44.2	Very low	163 Å²	163	124.3 Å²	124.3	72%	0.715	66%	0.657	S	S	*	*			trans	-61.3	116.8	162.5	-74.2	-81.9	0	0	0	107.1	F224 T228	F224-F226 PolarHBondContact O-N 3.3Å; F226-T228 PolarHBondContact O-N 2.8Å
227	T	36.3	Very low	43.1	Very low	134 Å²	134	127.8 Å²	127.8	82%	0.822	68%	0.677	S	S	*	*			trans	-62.6	104.3	170.8	-41.8	0	0	0	0	106.3	T225 A229	T225-T227 PolarHBondContact O-N 2.68Å; T225-T227 VanDerWaalsContact O-N 3.13Å; T227-A229 PolarHBondContact O-N 2.94Å
228	T	35.9	Very low	42	Very low	128 Å²	128	131.6 Å²	131.6	79%	0.785	70%	0.7	S	S	*	*			trans	-60.9	107.3	167.4	45.9	0	0	0	0	106.5	F226 S230	F226-T228 PolarHBondContact O-N 2.8Å; T228-S230 PolarHBondContact O-N 3.08Å
229	A	37	Very low	41.1	Very low	95 Å²	95	134 Å²	134	79%	0.785	72%	0.72	S	S	*	*			trans	-62.4	105.3	168.1	0	0	0	0	0	106.7	T227 K231	T227-A229 PolarHBondContact O-N 2.94Å; A229-K231 PolarHBondContact O-N 2.96Å
230	S	38.6	Very low	39.9	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	77%	0.767	S	S	*	*			trans	-63.5	124.1	170.6	-156.9	0	0	0	0	107.3	T228	T228-S230 PolarHBondContact O-N 3.08Å
231	K	35.8	Very low	39	Very low	276 Å²	276	142.7 Å²	142.7	100%	1.2	78%	0.778	S	S	*	*			trans	-65.7	0	164.6	-76.2	-177.5	178.7	176.5	0	110.1	A229	A229-K231 PolarHBondContact O-N 2.96Å

Retrieved 231 of 231 residues in 62.5 ms (Link to these results)

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