A0A075B6B5_MOUSE Loading...

T cell receptor alpha variable 6-5

AlphaFold DB , UniProt , Accession A0A075B6B5, Species MOUSE (Mus musculus, Mouse), Gene Trav6-5, Length 112 aa.

						>A0A075B6B5_MOUSE|A0A075B6B5|Trav6-5
MNLCPELGILLFLMLGESNGDSVTQTEGPVTLSEGTSLTVNCSYETKQYPTLFWYVQYPGEGPQLLFKVPKANEKGSNRGFEATYNKEATSFHLQKASVQESDSAVYYCALS
					

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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	34.3	Very low	45.2	Very low	237 Å²	237	138.3 Å²	138.3	100%	1.167	77%	0.771	S	S	*	*				0	106.2	0	-69.8	168	59.9	0	0	107
2	N	38.5	Very low	44.8	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	77%	0.772	S	S	*	*			trans	-2.6	129.5	169.8	-52	-40	0	0	0	118.2
3	L	40.5	Very low	45.8	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	74%	0.741	S	S	*	*				-167.4	104.1	112.5	-124.3	68.8	0	0	0	109
4	C	55.9	Low	45.9	Very low	119 Å²	119	139.4 Å²	139.4	80%	0.804	75%	0.753	S	S	*	*			trans	-79.9	124.1	162	-152	0	0	0	0	105.9	E6	C4-E6 PolarHBondContact O-N 2.86Å
5	P	51.9	Low	46.4	Very low	109 Å²	109	140.6 Å²	140.6	71%	0.708	76%	0.757	S	S	*	*			trans	-68.4	125.6	179.2	27.7	-30.1	0	0	0	108.3	L7	P5-L7 PolarHBondContact O-N 3.01Å
6	E	48.3	Very low	46.8	Very low	194 Å²	194	135.6 Å²	135.6	91%	0.907	75%	0.749	S	S	*	*			trans	-57.7	104.4	177.5	-59.1	-169.3	125.8	0	0	109.6	C4 G8	C4-E6 PolarHBondContact O-N 2.86Å; E6-G8 PolarHBondContact O-N 3.44Å
7	L	46.9	Very low	47.1	Very low	154 Å²	154	137.9 Å²	137.9	81%	0.806	75%	0.753	S	S	*	*			trans	-79.3	78.2	173.2	-143	85	0	0	0	107.9	P5 I9	P5-L7 PolarHBondContact O-N 3.01Å; L7-I9 PolarHBondContact O-N 3.23Å
8	G	48.5	Very low	47.9	Very low	75 Å²	75	134.4 Å²	134.4	77%	0.773	74%	0.74	S	S	*	*			trans	-67.1	99.3	170.9	0	0	0	0	0	109.8	E6 L10	E6-G8 PolarHBondContact O-N 3.44Å; G8-L10 PolarHBondContact O-N 2.65Å
9	I	52.5	Low	48.6	Very low	101 Å²	101	136.3 Å²	136.3	52%	0.518	75%	0.749	S	S	.	*			trans	-79.7	115.4	172.9	-63.5	175.2	0	0	0	107.9	L7 L11	L7-I9 PolarHBondContact O-N 3.23Å; I9-L11 HydrophobicContact CG2-CD1 4.06Å
10	L	39	Very low	50	Low	145 Å²	145	132 Å²	132	76%	0.759	74%	0.738	S	S	*	*			trans	-85.9	109.1	177.3	-164.2	77.3	0	0	0	109.4	G8 F12	G8-L10 PolarHBondContact O-N 2.65Å; L10-F12 HydrophobicContact CD2-CE2 3.71Å; L10-F12 HydrophobicContact CD2-CZ 4.07Å; L10-F12 HydrophobicContact CG-CE2 4.37Å
11	L	41.4	Very low	51.9	Low	65 Å²	65	127.2 Å²	127.2	34%	0.34	71%	0.71	S	S	.	*			trans	-93.5	126.8	171.3	-109.1	94.6	0	0	0	110.4	I9 L13 V106	I9-L11 HydrophobicContact CG2-CD1 4.06Å; L11-L13 HydrophobicContact CD2-CD1 4.15Å; L11-L13 HydrophobicContact CD2-CD2 4.45Å; L11-L13 HydrophobicContact CD2-CG 4.2Å; L11-V106 HydrophobicContact CD1-CG2 3.99Å; L11-V106 HydrophobicContact CD2-CB 4.18Å; L11-V106 HydrophobicContact CD2-CG1 3.55Å; L11-V106 HydrophobicContact CD2-CG2 3.65Å; L11-V106 HydrophobicContact CG-CG2 4.02Å
12	F	39.7	Very low	54.7	Low	177 Å²	177	117.1 Å²	117.1	78%	0.776	66%	0.663	S	S	*	*			trans	-95.1	130.5	162.8	-75.5	-86.3	0	0	0	108.7	L10	L10-F12 HydrophobicContact CD2-CE2 3.71Å; L10-F12 HydrophobicContact CD2-CZ 4.07Å; L10-F12 HydrophobicContact CG-CE2 4.37Å
13	L	58.7	Low	57.4	Low	72 Å²	72	111.5 Å²	111.5	38%	0.377	63%	0.634	S	S	.	*			trans	-125.9	134	175	-76.4	171	0	0	0	112	L11 V106 Y108	L11-L13 HydrophobicContact CD2-CD1 4.15Å; L11-L13 HydrophobicContact CD2-CD2 4.45Å; L11-L13 HydrophobicContact CD2-CG 4.2Å; L13-V106 HydrophobicContact CD2-CG1 4.42Å; L13-Y108 HydrophobicContact CD2-CD1 4.27Å; L13-Y108 HydrophobicContact CD2-CE1 3.5Å
14	M	46.5	Very low	60	Low	182 Å²	182	107.3 Å²	107.3	90%	0.897	62%	0.616	S	S	*	*			trans	-94.3	129.4	-177.7	-59.5	-73.2	-81.6	0	0	109.3
15	L	54.1	Low	61.9	Low	157 Å²	157	103.9 Å²	103.9	82%	0.822	59%	0.588	S	S	*	*			trans	-71.4	129	164.5	-68.5	163.2	0	0	0	108.4
16	G	52.5	Low	63.6	Low	60 Å²	60	100.7 Å²	100.7	62%	0.619	57%	0.567	S	S	*	*			trans	-111.7	100.5	175	0	0	0	0	0	110.5
17	E	51.9	Low	65.3	Low	176 Å²	176	99.7 Å²	99.7	82%	0.822	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.7	133.1	168.3	-82.6	-174.7	86.5	0	0	110
18	S	61.8	Low	67	Low	74 Å²	74	94.3 Å²	94.3	52%	0.517	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	117.5	174.4	147.7	0	0	0	0	109.7	G20 D21	S18-G20 VanDerWaalsContact C-N 3.27Å; S18-G20 PolarHBondContact O-N 3.2Å; S18-D21 PolarHBondContact N-O 3.16Å; S18-D21 PolarHBondContact O-N 2.96Å
19	N	61.4	Low	68.7	Low	170 Å²	170	95.4 Å²	95.4	91%	0.909	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	35.9	168.5	-76	-37.8	0	0	0	116.5	D21	N19-D21 VanDerWaalsContact C-N 3.28Å
20	G	76.8	Confident	70.5	Confident	51 Å²	51	94.5 Å²	94.5	53%	0.526	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	5.6	179.4	0	0	0	0	0	114.5	S18	S18-G20 VanDerWaalsContact C-N 3.27Å; S18-G20 PolarHBondContact O-N 3.2Å
21	D	88.4	Confident	73	Confident	31 Å²	31	94 Å²	94	17%	0.166	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.2	164.3	-60.2	-28.2	0	0	0	109.7	S18 N19 E45 T46 L111	S18-D21 PolarHBondContact N-O 3.16Å; S18-D21 PolarHBondContact O-N 2.96Å; N19-D21 VanDerWaalsContact C-N 3.28Å; D21-E45 CarbonylContact C-O 3.56Å; D21-E45 WeakPolarHBondContact CA-O 3.29Å; D21-T46 WeakPolarHBondContact OD1-CA 3.49Å; D21-T46 WeakPolarHBondContact OD1-CB 3.39Å; D21-T46 PolarHBondContact OD1-OG1 3.1Å; D21-L111 HydrophobicContact CB-CD1 3.9Å; D21-L111 HydrophobicContact CB-CD2 4.42Å
22	S	92.8	Very high	75.4	Confident	26 Å²	26	94.5 Å²	94.5	18%	0.182	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.4	-179.3	73.3	0	0	0	0	111.7	Y44 E45 L111	S22-Y44 CarbonylContact O-C 3.53Å; S22-Y44 WeakPolarHBondContact O-CA 3.46Å; S22-E45 PolarHBondContact N-O 3.36Å; S22-E45 PolarHBondContact O-N 3.07Å; S22-E45 WeakPolarHBondContact OG-CB 3.47Å; S22-L111 WeakPolarHBondContact O-CD2 3.46Å
23	V	95.1	Very high	78	Confident	35 Å²	35	90.3 Å²	90.3	21%	0.212	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.8	171.1	176.4	0	0	0	0	108.3	S43 C109 L111	V23-S43 WeakPolarHBondContact CA-O 3.46Å; V23-C109 HydrophobicContact CG1-CB 3.85Å; V23-L111 HydrophobicContact CG2-CB 4.37Å; V23-L111 HydrophobicContact CG2-CD2 3.62Å; V23-L111 HydrophobicContact CG2-CG 4.01Å
24	T	95.6	Very high	79.8	Confident	81 Å²	81	92.8 Å²	92.8	50%	0.497	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	173.3	-56.9	0	0	0	0	108.4	C42 S43	T24-C42 CarbonylContact O-C 3.57Å; T24-C42 WeakPolarHBondContact O-CA 3.2Å; T24-S43 PolarHBondContact N-O 2.82Å; T24-S43 PolarHBondContact O-N 2.93Å
25	Q	95.3	Very high	82.1	Confident	46 Å²	46	86.1 Å²	86.1	22%	0.215	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.8	-178.6	63	-173.2	-28.2	0	0	111.7	E27 N41 Y107	Q25-E27 PolarHBondContact O-N 2.78Å; Q25-N41 CarbonylContact C-O 3.57Å; Q25-N41 WeakPolarHBondContact CA-O 3.1Å; Q25-N41 VanDerWaalsContact CB-O 3.28Å; Q25-N41 WeakPolarHBondContact CB-O 3.44Å; Q25-Y107 PolarHBondContact OE1-O 2.88Å
26	T	88.8	Confident	84.1	Confident	42 Å²	42	81.1 Å²	81.1	26%	0.258	50%	0.498	S	S	.	.			trans	-50.5	124.9	172.8	-60.6	0	0	0	0	110	V30 N41	T26-V30 HydrophobicContact CG2-CG2 3.99Å; T26-N41 PolarHBondContact N-O 2.85Å; T26-N41 VanDerWaalsContact N-O 3.11Å; T26-N41 WeakPolarHBondContact OG1-CB 3.05Å; T26-N41 PolarHBondContact OG1-N 3.19Å
27	E	84.1	Confident	86.2	Confident	174 Å²	174	82.4 Å²	82.4	81%	0.813	50%	0.497	S	S	*	.			trans	-83.3	139.5	179.4	-67.6	-173.4	171.9	0	0	111.7	Q25	Q25-E27 PolarHBondContact O-N 2.78Å
28	G	82.1	Confident	88.3	Confident	41 Å²	41	74.8 Å²	74.8	42%	0.423	46%	0.462	S	S	.	.	S	Bend	trans	80	176.6	172.1	0	0	0	0	0	115.1
29	P	85.1	Confident	90	Very high	97 Å²	97	74.9 Å²	74.9	63%	0.63	46%	0.46	S	S	*	.			trans	-70.5	142.4	178.9	29.5	-33.8	0	0	0	111.2
30	V	88.8	Confident	91.6	Very high	82 Å²	82	67.6 Å²	67.6	50%	0.497	42%	0.422	S	S	.	.			trans	-115.2	118.3	174.1	-177.6	0	0	0	0	108.2	T26 L32	T26-V30 HydrophobicContact CG2-CG2 3.99Å; V30-L32 HydrophobicContact CG1-CD1 4.27Å; V30-L32 HydrophobicContact CG1-CD2 4.28Å; V30-L32 HydrophobicContact CG1-CG 3.99Å
31	T	92.1	Very high	92.6	Very high	136 Å²	136	68.9 Å²	68.9	83%	0.834	42%	0.416	S	S	*	.			trans	-102.7	124.4	176.6	-53.6	0	0	0	0	109.5
32	L	92.1	Very high	93.1	Very high	75 Å²	75	67.4 Å²	67.4	39%	0.393	41%	0.408	S	S	.	.			trans	-130.4	148.4	-179.2	-66.4	175.5	0	0	0	110.2	V30 L38 V99	V30-L32 HydrophobicContact CG1-CD1 4.27Å; V30-L32 HydrophobicContact CG1-CD2 4.28Å; V30-L32 HydrophobicContact CG1-CG 3.99Å; L32-L38 HydrophobicContact CD1-CB 3.89Å; L32-L38 HydrophobicContact CD1-CD1 3.5Å; L32-L38 VanDerWaalsContact CD1-CD1 3.5Å; L32-L38 HydrophobicContact CD1-CG 4.28Å; L32-V99 HydrophobicContact CB-CG2 4.22Å
33	S	94.9	Very high	93.3	Very high	88 Å²	88	68.3 Å²	68.3	62%	0.615	42%	0.415	S	S	*	.			trans	-75.9	146	168.7	-58.1	0	0	0	0	110.2	T36 V99	S33-T36 WeakPolarHBondContact O-CB 3.3Å; S33-T36 WeakPolarHBondContact O-CG2 3.28Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-T36 PolarHBondContact O-OG1 2.82Å; S33-V99 WeakPolarHBondContact O-CG2 3.34Å
34	E	95.5	Very high	93.3	Very high	125 Å²	125	67.5 Å²	67.5	58%	0.584	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	143.7	169.9	-178.4	166.9	-149.8	0	0	111.1	T36 V99	E34-T36 VanDerWaalsContact C-N 3.28Å; E34-T36 PolarHBondContact O-N 3.31Å; E34-V99 WeakPolarHBondContact CA-O 3.45Å; E34-V99 WeakPolarHBondContact CG-O 3.47Å
35	G	94.8	Very high	93.2	Very high	41 Å²	41	70 Å²	70	42%	0.423	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-18.8	-178.6	0	0	0	0	0	114.4	S98 V99	G35-S98 VanDerWaalsContact CA-OG 3.23Å; G35-S98 WeakPolarHBondContact CA-OG 3.43Å; G35-S98 PolarHBondContact O-OG 3.03Å; G35-S98 VanDerWaalsContact O-OG 3.04Å; G35-V99 PolarHBondContact N-O 3.02Å
36	T	96.4	Very high	93.1	Very high	53 Å²	53	69.2 Å²	69.2	33%	0.325	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-79.3	157.7	-177	64.2	0	0	0	0	112.8	S33 E34 S98 V99	S33-T36 WeakPolarHBondContact O-CB 3.3Å; S33-T36 WeakPolarHBondContact O-CG2 3.28Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-T36 PolarHBondContact O-OG1 2.82Å; E34-T36 VanDerWaalsContact C-N 3.28Å; E34-T36 PolarHBondContact O-N 3.31Å; T36-S98 WeakPolarHBondContact O-CA 3.45Å; T36-V99 WeakPolarHBondContact O-CG2 3.41Å; T36-V99 PolarHBondContact O-N 3.43Å
37	S	96.7	Very high	93.1	Very high	86 Å²	86	76.7 Å²	76.7	60%	0.601	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-80	137.9	174.3	55.1	0	0	0	0	111.3	K96 A97	S37-K96 CarbonylContact C-O 3.59Å; S37-K96 VanDerWaalsContact CA-O 3.32Å; S37-K96 WeakPolarHBondContact CA-O 3.33Å; S37-A97 WeakPolarHBondContact CA-O 3.37Å
38	L	95.3	Very high	93.3	Very high	17 Å²	17	74.9 Å²	74.9	9%	0.089	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.6	175.1	170.6	69.1	0	0	0	110.1	L32 V40 F81 Q95 K96 V99	L32-L38 HydrophobicContact CD1-CB 3.89Å; L32-L38 HydrophobicContact CD1-CD1 3.5Å; L32-L38 VanDerWaalsContact CD1-CD1 3.5Å; L32-L38 HydrophobicContact CD1-CG 4.28Å; L38-V40 HydrophobicContact CD1-CG2 3.78Å; L38-V40 HydrophobicContact CD2-CG2 4.09Å; L38-V40 HydrophobicContact CG-CG2 4.04Å; L38-F81 HydrophobicContact CD2-CE1 3.85Å; L38-Q95 WeakPolarHBondContact O-CA 3.28Å; L38-K96 HydrophobicContact CB-CB 4.37Å; L38-K96 PolarHBondContact N-O 2.92Å; L38-K96 PolarHBondContact O-N 3.11Å; L38-K96 VanDerWaalsContact O-N 3.13Å; L38-V99 HydrophobicContact CB-CG1 3.5Å; L38-V99 HydrophobicContact CD2-CG1 4.22Å; L38-V99 HydrophobicContact CG-CG1 4.45Å
39	T	97	Very high	93.7	Very high	75 Å²	75	78.4 Å²	78.4	46%	0.46	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	115.7	161	-62.2	0	0	0	0	109.2	H93 L94 Q95	T39-H93 HydrophobicContact CG2-CB 4.26Å; T39-L94 CarbonylContact C-O 3.59Å; T39-L94 VanDerWaalsContact CA-O 3.28Å; T39-L94 WeakPolarHBondContact CA-O 3.44Å; T39-Q95 HydrophobicContact CG2-CG 4.25Å
40	V	96.8	Very high	94.2	Very high	18 Å²	18	73.9 Å²	73.9	11%	0.109	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	169.7	-172.5	0	0	0	0	107.6	L38 W54 H93 L94	L38-V40 HydrophobicContact CD1-CG2 3.78Å; L38-V40 HydrophobicContact CD2-CG2 4.09Å; L38-V40 HydrophobicContact CG-CG2 4.04Å; V40-W54 HydrophobicContact CB-CH2 4.08Å; V40-W54 HydrophobicContact CG1-CH2 3.79Å; V40-W54 HydrophobicContact CG1-CZ3 4.26Å; V40-H93 CarbonylContact O-C 3.53Å; V40-H93 VanDerWaalsContact O-CA 3.31Å; V40-H93 WeakPolarHBondContact O-CA 3.25Å; V40-L94 HydrophobicContact CB-CB 4.12Å; V40-L94 PolarHBondContact N-O 2.87Å; V40-L94 PolarHBondContact O-N 2.83Å
41	N	97.7	Very high	94.6	Very high	78 Å²	78	71.5 Å²	71.5	42%	0.417	39%	0.39	S	S	.	.			trans	-74.8	139.5	-178.3	-67.2	-35.2	0	0	0	110.8	Q25 T26 H93	Q25-N41 CarbonylContact C-O 3.57Å; Q25-N41 WeakPolarHBondContact CA-O 3.1Å; Q25-N41 VanDerWaalsContact CB-O 3.28Å; Q25-N41 WeakPolarHBondContact CB-O 3.44Å; T26-N41 PolarHBondContact N-O 2.85Å; T26-N41 VanDerWaalsContact N-O 3.11Å; T26-N41 WeakPolarHBondContact OG1-CB 3.05Å; T26-N41 PolarHBondContact OG1-N 3.19Å; N41-H93 VanDerWaalsContact CA-ND1 3.3Å; N41-H93 WeakPolarHBondContact CA-ND1 3.47Å; N41-H93 PolarHBondContact OD1-ND1 2.84Å
42	C	97.8	Very high	94.8	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	122.8	167	175.6	0	0	0	0	108.8	T24 W54 S91 F92 H93 C109	T24-C42 CarbonylContact O-C 3.57Å; T24-C42 WeakPolarHBondContact O-CA 3.2Å; C42-W54 HydrophobicContact CB-CH2 4Å; C42-W54 HydrophobicContact CB-CZ2 3.53Å; C42-S91 WeakPolarHBondContact O-CA 3.25Å; C42-S91 WeakPolarHBondContact O-CB 3.49Å; C42-F92 PolarHBondContact O-N 3.08Å; C42-H93 PolarHBondContact N-ND1 2.65Å; C42-C109 HydrophobicContact CB-CB 3.56Å; C42-C109 WeakPolarHBondContact CB-SG 3.44Å; C42-C109 WeakPolarHBondContact SG-CB 3.22Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 3.33Å
43	S	97.2	Very high	95.1	Very high	45 Å²	45	62.8 Å²	62.8	32%	0.315	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157	165.6	61	0	0	0	0	109.4	V23 T24 T90	V23-S43 WeakPolarHBondContact CA-O 3.46Å; T24-S43 PolarHBondContact N-O 2.82Å; T24-S43 PolarHBondContact O-N 2.93Å; S43-T90 VanDerWaalsContact CA-O 3.23Å; S43-T90 WeakPolarHBondContact CA-O 3.42Å; S43-T90 WeakPolarHBondContact CB-O 3.47Å
44	Y	94.9	Very high	95.3	Very high	17 Å²	17	58.6 Å²	58.6	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.4	-179.5	69.4	-91.4	0	0	0	110.9	S22 T46 P50 L52 Y85 T90 L111	S22-Y44 CarbonylContact O-C 3.53Å; S22-Y44 WeakPolarHBondContact O-CA 3.46Å; Y44-T46 HydrophobicContact CD2-CG2 3.7Å; Y44-T46 HydrophobicContact CE2-CG2 3.66Å; Y44-P50 HydrophobicContact CD2-CG 4.32Å; Y44-P50 HydrophobicContact CE2-CG 3.94Å; Y44-L52 HydrophobicContact CD1-CD1 3.8Å; Y44-L52 HydrophobicContact CD1-CD2 4.01Å; Y44-L52 HydrophobicContact CE1-CD1 3.62Å; Y44-L52 HydrophobicContact CE1-CD2 4.37Å; Y44-L52 HydrophobicContact CG-CD2 4.22Å; Y44-Y85 HydrophobicContact CE1-CD2 4.35Å; Y44-Y85 AromaticContact CE1-CE2 3.84Å; Y44-Y85 HydrophobicContact CE1-CE2 3.84Å; Y44-Y85 AromaticContact CZ-CE2 3.77Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.26Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.22Å; Y44-T90 PolarHBondContact N-O 2.89Å; Y44-T90 WeakPolarHBondContact O-CB 3.32Å; Y44-L111 HydrophobicContact CD2-CD2 4.43Å; Y44-L111 HydrophobicContact CG-CD2 4.44Å
45	E	94.6	Very high	95.4	Very high	134 Å²	134	56.2 Å²	56.2	63%	0.626	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.8	168.4	-165.7	175.4	178.6	0	0	108	D21 S22	D21-E45 CarbonylContact C-O 3.56Å; D21-E45 WeakPolarHBondContact CA-O 3.29Å; S22-E45 PolarHBondContact N-O 3.36Å; S22-E45 PolarHBondContact O-N 3.07Å; S22-E45 WeakPolarHBondContact OG-CB 3.47Å
46	T	91.7	Very high	95.6	Very high	30 Å²	30	54.2 Å²	54.2	18%	0.184	28%	0.275	C	S	.	.			trans	-162.3	152.4	172.9	-178.9	0	0	0	0	110.6	D21 Y44 Q48 P50	D21-T46 WeakPolarHBondContact OD1-CA 3.49Å; D21-T46 WeakPolarHBondContact OD1-CB 3.39Å; D21-T46 PolarHBondContact OD1-OG1 3.1Å; Y44-T46 HydrophobicContact CD2-CG2 3.7Å; Y44-T46 HydrophobicContact CE2-CG2 3.66Å; T46-Q48 PolarHBondContact OG1-N 2.84Å; T46-Q48 VanDerWaalsContact OG1-N 3.1Å; T46-P50 HydrophobicContact CG2-CB 4.26Å; T46-P50 HydrophobicContact CG2-CG 3.74Å
47	K	89.3	Confident	95.6	Very high	199 Å²	199	54.2 Å²	54.2	87%	0.865	27%	0.271	S	S	*	.	S	Bend	trans	-88.9	-7.1	172.2	-64.8	179.1	-177.2	171.2	0	113.1
48	Q	88.9	Confident	95.5	Very high	135 Å²	135	52 Å²	52	63%	0.631	25%	0.25	S	C	*	.	S	Bend	trans	-104.5	-175	-174.9	-56	-168.1	21.6	0	0	111.7	T46 P50	T46-Q48 PolarHBondContact OG1-N 2.84Å; T46-Q48 VanDerWaalsContact OG1-N 3.1Å; Q48-P50 VanDerWaalsContact O-CD 3.25Å; Q48-P50 WeakPolarHBondContact O-CD 3.28Å
49	Y	91	Very high	95.5	Very high	116 Å²	116	56.3 Å²	56.3	46%	0.455	28%	0.278	S	S	.	.			trans	-101.6	93	170	-170	-94.8	0	0	0	108.6	P70 K71 A72 K87	Y49-P70 WeakPolarHBondContact CE1-O 3.27Å; Y49-K71 WeakPolarHBondContact OH-CA 3.48Å; Y49-A72 HydrophobicContact CE2-CB 4.07Å; Y49-A72 WeakPolarHBondContact OH-CB 3.42Å; Y49-A72 PolarHBondContact OH-N 2.85Å; Y49-K87 HydrophobicContact CD2-CD 4.4Å; Y49-K87 HydrophobicContact CE2-CD 4.11Å
50	P	94.7	Very high	95.4	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.302	C	S	.	.			trans	-76.3	155.3	-170.2	32.9	-39.1	0	0	0	111.9	Y44 T46 Q48 L52 Y85 L111 S112	Y44-P50 HydrophobicContact CD2-CG 4.32Å; Y44-P50 HydrophobicContact CE2-CG 3.94Å; T46-P50 HydrophobicContact CG2-CB 4.26Å; T46-P50 HydrophobicContact CG2-CG 3.74Å; Q48-P50 VanDerWaalsContact O-CD 3.25Å; Q48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-L52 HydrophobicContact CB-CD2 4.06Å; P50-L52 HydrophobicContact CG-CD2 3.95Å; P50-L52 HydrophobicContact CG-CG 4.44Å; P50-Y85 WeakPolarHBondContact CD-OH 3.34Å; P50-Y85 WeakPolarHBondContact CG-OH 3.45Å; P50-Y85 WeakPolarHBondContact O-CE1 3.41Å; P50-L111 HydrophobicContact CB-CB 4.1Å; P50-S112 CarbonylContact C-O 3.52Å; P50-S112 VanDerWaalsContact CA-O 3.25Å; P50-S112 WeakPolarHBondContact CA-O 3.23Å
51	T	96.4	Very high	95.3	Very high	32 Å²	32	60.9 Å²	60.9	20%	0.196	32%	0.318	C	S	.	.			trans	-86.8	135.3	151.2	-62.1	0	0	0	0	108.5	F53 K68 P70 L111 S112	T51-F53 HydrophobicContact CG2-CD2 4.37Å; T51-F53 HydrophobicContact CG2-CE1 3.9Å; T51-F53 HydrophobicContact CG2-CE2 3.64Å; T51-F53 HydrophobicContact CG2-CZ 3.36Å; T51-F53 WeakPolarHBondContact O-CD2 3.35Å; T51-F53 WeakPolarHBondContact O-CE2 3.11Å; T51-K68 HydrophobicContact CG2-CB 4.24Å; T51-K68 HydrophobicContact CG2-CD 4.36Å; T51-P70 HydrophobicContact CG2-CB 4.2Å; T51-L111 WeakPolarHBondContact O-CA 3.26Å; T51-S112 PolarHBondContact N-O 2.94Å; T51-S112 PolarHBondContact O-N 3.19Å
52	L	97.9	Very high	95.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.2	178.6	-58.2	-179.1	0	0	0	111.1	Y44 P50 K68 V69 Y85 F92 L111	Y44-L52 HydrophobicContact CD1-CD1 3.8Å; Y44-L52 HydrophobicContact CD1-CD2 4.01Å; Y44-L52 HydrophobicContact CE1-CD1 3.62Å; Y44-L52 HydrophobicContact CE1-CD2 4.37Å; Y44-L52 HydrophobicContact CG-CD2 4.22Å; P50-L52 HydrophobicContact CB-CD2 4.06Å; P50-L52 HydrophobicContact CG-CD2 3.95Å; P50-L52 HydrophobicContact CG-CG 4.44Å; L52-K68 CarbonylContact O-C 3.53Å; L52-K68 VanDerWaalsContact O-CA 3.23Å; L52-K68 WeakPolarHBondContact O-CA 3.5Å; L52-V69 PolarHBondContact N-O 2.8Å; L52-V69 PolarHBondContact O-N 2.7Å; L52-Y85 HydrophobicContact CD1-CD1 4.18Å; L52-Y85 HydrophobicContact CD1-CD2 3.31Å; L52-Y85 HydrophobicContact CD1-CE1 4.39Å; L52-Y85 HydrophobicContact CD1-CE2 3.6Å; L52-Y85 HydrophobicContact CD1-CG 3.69Å; L52-Y85 HydrophobicContact CG-CD1 4.4Å; L52-Y85 HydrophobicContact CG-CD2 4.31Å; L52-Y85 HydrophobicContact CG-CE1 4.45Å; L52-Y85 HydrophobicContact CG-CE2 4.39Å; L52-Y85 HydrophobicContact CG-CG 4.38Å; L52-F92 HydrophobicContact CB-CD1 3.53Å; L52-F92 HydrophobicContact CB-CD2 4.31Å; L52-F92 HydrophobicContact CB-CE1 3.64Å; L52-F92 HydrophobicContact CB-CE2 4.42Å; L52-F92 HydrophobicContact CB-CG 3.88Å; L52-F92 HydrophobicContact CB-CZ 4.1Å; L52-F92 HydrophobicContact CD1-CB 3.6Å; L52-F92 HydrophobicContact CD1-CD1 4.21Å; L52-F92 HydrophobicContact CD1-CD2 4.12Å; L52-F92 HydrophobicContact CD1-CG 3.74Å; L52-F92 HydrophobicContact CG-CD1 4.48Å; L52-F92 HydrophobicContact CG-CG 4.46Å; L52-L111 HydrophobicContact CD2-CB 3.59Å
53	F	98.3	Very high	95.2	Very high	27 Å²	27	63.1 Å²	63.1	12%	0.118	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.3	-172.8	-52.8	-101.6	0	0	0	110.8	T51 Y55 L65 K68 C109 A110 S112	T51-F53 HydrophobicContact CG2-CD2 4.37Å; T51-F53 HydrophobicContact CG2-CE1 3.9Å; T51-F53 HydrophobicContact CG2-CE2 3.64Å; T51-F53 HydrophobicContact CG2-CZ 3.36Å; T51-F53 WeakPolarHBondContact O-CD2 3.35Å; T51-F53 WeakPolarHBondContact O-CE2 3.11Å; F53-Y55 HydrophobicContact CB-CD2 4.06Å; F53-Y55 HydrophobicContact CB-CE2 3.66Å; F53-Y55 HydrophobicContact CD1-CE2 4.34Å; F53-Y55 HydrophobicContact CG-CE2 4.18Å; F53-L65 HydrophobicContact CB-CD1 4.42Å; F53-L65 HydrophobicContact CD1-CD1 3.98Å; F53-K68 HydrophobicContact CD1-CB 3.4Å; F53-K68 VanDerWaalsContact CD1-CB 3.4Å; F53-K68 HydrophobicContact CD1-CD 4.19Å; F53-K68 HydrophobicContact CD1-CG 4.44Å; F53-K68 HydrophobicContact CE1-CB 3.69Å; F53-K68 HydrophobicContact CE1-CD 3.65Å; F53-K68 HydrophobicContact CE1-CG 4.32Å; F53-K68 HydrophobicContact CG-CB 4.16Å; F53-C109 WeakPolarHBondContact O-CA 3.36Å; F53-A110 HydrophobicContact CB-CB 4.33Å; F53-A110 PolarHBondContact N-O 3.1Å; F53-A110 PolarHBondContact O-N 3.1Å; F53-S112 VanDerWaalsContact CE2-OG 3.27Å; F53-S112 WeakPolarHBondContact CE2-OG 3.48Å; F53-S112 WeakPolarHBondContact CZ-OG 3.22Å
54	W	98.4	Very high	95.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.7	159.5	-82.7	103.9	0	0	0	109.3	V40 C42 L66 F67 F92 L94 Y108 C109	V40-W54 HydrophobicContact CB-CH2 4.08Å; V40-W54 HydrophobicContact CG1-CH2 3.79Å; V40-W54 HydrophobicContact CG1-CZ3 4.26Å; C42-W54 HydrophobicContact CB-CH2 4Å; C42-W54 HydrophobicContact CB-CZ2 3.53Å; W54-L66 HydrophobicContact CB-CB 4.23Å; W54-L66 HydrophobicContact CB-CD2 4.39Å; W54-L66 WeakPolarHBondContact O-CA 3.4Å; W54-L66 VanDerWaalsContact O-CB 3.28Å; W54-L66 WeakPolarHBondContact O-CB 3.24Å; W54-L66 PolarHBondContact O-N 2.96Å; W54-F67 HydrophobicContact CB-CE2 4.2Å; W54-F67 HydrophobicContact CB-CZ 4.19Å; W54-F67 AromaticContact CD1-CE2 3.63Å; W54-F67 AromaticContact CD1-CZ 3.79Å; W54-F67 HydrophobicContact CG-CE2 4.27Å; W54-F67 HydrophobicContact CG-CZ 4.24Å; W54-F67 PolarHBondContact N-O 3.42Å; W54-F67 PolarHBondContact O-N 2.92Å; W54-F92 AromaticContact CD1-CD1 3.52Å; W54-F92 AromaticContact CD1-CE1 3.14Å; W54-F92 AromaticContact CD1-CZ 3.81Å; W54-F92 HydrophobicContact CG-CE1 4.15Å; W54-F92 VanDerWaalsContact CZ2-O 3.31Å; W54-F92 WeakPolarHBondContact CZ2-O 3.32Å; W54-F92 AromaticContact NE1-CD1 3.28Å; W54-F92 VanDerWaalsContact NE1-CD1 3.28Å; W54-F92 AromaticContact NE1-CE1 3.47Å; W54-F92 AromaticContact NE1-CG 3.96Å; W54-F92 PolarHBondContact NE1-O 3.14Å; W54-L94 HydrophobicContact CB-CD1 4.38Å; W54-L94 HydrophobicContact CD2-CB 3.9Å; W54-L94 HydrophobicContact CD2-CD1 4.05Å; W54-L94 HydrophobicContact CD2-CD2 4.08Å; W54-L94 HydrophobicContact CD2-CG 4.24Å; W54-L94 HydrophobicContact CE3-CB 4.25Å; W54-L94 HydrophobicContact CE3-CD2 3.93Å; W54-L94 HydrophobicContact CG-CD1 3.84Å; W54-L94 HydrophobicContact CH2-CB 3.9Å; W54-L94 HydrophobicContact CZ2-CB 3.53Å; W54-L94 HydrophobicContact CZ3-CB 4.25Å; W54-L94 HydrophobicContact CZ3-CD2 4.26Å; W54-Y108 WeakPolarHBondContact CA-O 3.09Å; W54-C109 HydrophobicContact CD2-CB 4.41Å; W54-C109 HydrophobicContact CE3-CB 4.24Å; W54-C109 HydrophobicContact CH2-CB 3.68Å; W54-C109 HydrophobicContact CZ2-CB 3.82Å; W54-C109 HydrophobicContact CZ3-CB 3.89Å
55	Y	98.3	Very high	95.4	Very high	75 Å²	75	67.5 Å²	67.5	29%	0.294	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	151.2	168.3	-71.8	-100.4	0	0	0	109.8	F53 P63 Q64 L65 Y107 Y108	F53-Y55 HydrophobicContact CB-CD2 4.06Å; F53-Y55 HydrophobicContact CB-CE2 3.66Å; F53-Y55 HydrophobicContact CD1-CE2 4.34Å; F53-Y55 HydrophobicContact CG-CE2 4.18Å; Y55-P63 HydrophobicContact CD1-CB 4.26Å; Y55-Q64 CarbonylContact C-O 3.52Å; Y55-Q64 WeakPolarHBondContact CA-O 3.35Å; Y55-Q64 VanDerWaalsContact CD1-C 3.41Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.36Å; Y55-L65 HydrophobicContact CD1-CB 4.37Å; Y55-L65 HydrophobicContact CE1-CB 4.01Å; Y55-L65 HydrophobicContact CE1-CD1 4.22Å; Y55-L65 HydrophobicContact CE2-CD1 4.12Å; Y55-Y107 CarbonylContact O-C 3.54Å; Y55-Y107 WeakPolarHBondContact O-CA 3.3Å; Y55-Y108 PolarHBondContact N-O 3.27Å; Y55-Y108 PolarHBondContact O-N 2.91Å
56	V	97.8	Very high	95.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.5	171.4	61.6	0	0	0	0	108.7	Y58 Q64 L66 A105 V106 Y107	V56-Y58 HydrophobicContact CG1-CE2 4.08Å; V56-Y58 HydrophobicContact CG2-CD2 4.43Å; V56-Y58 HydrophobicContact CG2-CE1 4.34Å; V56-Y58 HydrophobicContact CG2-CE2 3.97Å; V56-Q64 HydrophobicContact CG1-CB 4.4Å; V56-Q64 PolarHBondContact N-O 2.99Å; V56-Q64 PolarHBondContact O-N 2.97Å; V56-L66 HydrophobicContact CG1-CB 4.34Å; V56-L66 HydrophobicContact CG1-CD1 4.3Å; V56-A105 HydrophobicContact CG2-CB 3.54Å; V56-V106 CarbonylContact C-O 3.49Å; V56-V106 WeakPolarHBondContact CA-O 3.31Å; V56-Y107 HydrophobicContact CB-CD1 4.08Å; V56-Y107 HydrophobicContact CB-CE1 3.95Å; V56-Y107 HydrophobicContact CG2-CD1 4.03Å; V56-Y107 HydrophobicContact CG2-CE1 3.57Å
57	Q	97.5	Very high	95.9	Very high	52 Å²	52	60.8 Å²	60.8	24%	0.243	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	108.3	175.8	-175.1	178.1	4	0	0	109.3	E61 A105 V106 Y108	Q57-E61 VanDerWaalsContact CG-O 3.29Å; Q57-E61 WeakPolarHBondContact CG-O 3.44Å; Q57-E61 PolarHBondContact NE2-O 2.89Å; Q57-A105 WeakPolarHBondContact O-CB 3.32Å; Q57-V106 HydrophobicContact CB-CB 4.36Å; Q57-V106 PolarHBondContact N-O 3.06Å; Q57-V106 PolarHBondContact O-N 2.86Å; Q57-Y108 HydrophobicContact CB-CE2 3.86Å; Q57-Y108 PolarHBondContact OE1-OH 2.98Å
58	Y	95.2	Very high	96.3	Very high	41 Å²	41	57.1 Å²	57.1	16%	0.161	31%	0.314	C	S	.	.			trans	-76.4	155.8	173.5	-65	-75.3	0	0	0	111.1	V56 G60 E61 R79 S102 A105	V56-Y58 HydrophobicContact CG1-CE2 4.08Å; V56-Y58 HydrophobicContact CG2-CD2 4.43Å; V56-Y58 HydrophobicContact CG2-CE1 4.34Å; V56-Y58 HydrophobicContact CG2-CE2 3.97Å; Y58-G60 PolarHBondContact O-N 2.88Å; Y58-E61 PolarHBondContact O-N 3.46Å; Y58-R79 PolarHBondContact OH-NH1 3.31Å; Y58-R79 VanDerWaalsContact OH-NH1 3.08Å; Y58-S102 WeakPolarHBondContact CE1-O 3.49Å; Y58-A105 HydrophobicContact CD1-CB 3.73Å; Y58-A105 HydrophobicContact CE1-CB 3.89Å; Y58-A105 HydrophobicContact CG-CB 4.38Å
59	P	94	Very high	96.7	Very high	107 Å²	107	50.8 Å²	50.8	70%	0.695	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	124.8	177.8	-27	35.4	0	0	0	112.5	E61	P59-E61 VanDerWaalsContact C-N 3.28Å; P59-E61 PolarHBondContact O-N 3.04Å
60	G	95.5	Very high	97	Very high	93 Å²	93	48 Å²	48	96%	0.959	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-1.5	180	0	0	0	0	0	115.4	Y58	Y58-G60 PolarHBondContact O-N 2.88Å
61	E	95.2	Very high	97.1	Very high	95 Å²	95	53.4 Å²	53.4	44%	0.444	30%	0.304	S	S	.	.	S	Bend	trans	-105.8	165.3	177.8	-59.8	-173.2	174.9	0	0	111.8	Q57 Y58 P59 Q64	Q57-E61 VanDerWaalsContact CG-O 3.29Å; Q57-E61 WeakPolarHBondContact CG-O 3.44Å; Q57-E61 PolarHBondContact NE2-O 2.89Å; Y58-E61 PolarHBondContact O-N 3.46Å; P59-E61 VanDerWaalsContact C-N 3.28Å; P59-E61 PolarHBondContact O-N 3.04Å; E61-Q64 PolarHBondContact OE2-NE2 2.84Å
62	G	95.4	Very high	97	Very high	45 Å²	45	52.8 Å²	52.8	46%	0.464	30%	0.302	S	S	.	.			trans	-82.8	163.6	168.7	0	0	0	0	0	112.2	Q64	G62-Q64 PolarHBondContact O-N 3.33Å
63	P	96.4	Very high	96.8	Very high	80 Å²	80	58.5 Å²	58.5	52%	0.519	33%	0.332	S	S	.	.			trans	-57.6	129.6	174.2	-23.9	33.7	0	0	0	112.2	Y55	Y55-P63 HydrophobicContact CD1-CB 4.26Å
64	Q	98.1	Very high	96.8	Very high	76 Å²	76	61.1 Å²	61.1	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.5	178.1	-70.2	168.4	48.4	0	0	110.3	Y55 V56 E61 G62 L66	Y55-Q64 CarbonylContact C-O 3.52Å; Y55-Q64 WeakPolarHBondContact CA-O 3.35Å; Y55-Q64 VanDerWaalsContact CD1-C 3.41Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.36Å; V56-Q64 HydrophobicContact CG1-CB 4.4Å; V56-Q64 PolarHBondContact N-O 2.99Å; V56-Q64 PolarHBondContact O-N 2.97Å; E61-Q64 PolarHBondContact OE2-NE2 2.84Å; G62-Q64 PolarHBondContact O-N 3.33Å; Q64-L66 PolarHBondContact O-N 2.93Å
65	L	98.1	Very high	96.8	Very high	79 Å²	79	66.4 Å²	66.4	41%	0.414	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	120	176.2	-177.9	66.2	0	0	0	109.5	F53 Y55 F67 K68	F53-L65 HydrophobicContact CB-CD1 4.42Å; F53-L65 HydrophobicContact CD1-CD1 3.98Å; Y55-L65 HydrophobicContact CD1-CB 4.37Å; Y55-L65 HydrophobicContact CE1-CB 4.01Å; Y55-L65 HydrophobicContact CE1-CD1 4.22Å; Y55-L65 HydrophobicContact CE2-CD1 4.12Å; L65-F67 WeakPolarHBondContact CD1-O 3.11Å; L65-K68 HydrophobicContact CD1-CB 4.47Å
66	L	98.1	Very high	96.8	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-54.2	170.7	-172.1	60	0	0	0	109.3	W54 V56 Q64 N78 F81 L94 Y107	W54-L66 HydrophobicContact CB-CB 4.23Å; W54-L66 HydrophobicContact CB-CD2 4.39Å; W54-L66 WeakPolarHBondContact O-CA 3.4Å; W54-L66 VanDerWaalsContact O-CB 3.28Å; W54-L66 WeakPolarHBondContact O-CB 3.24Å; W54-L66 PolarHBondContact O-N 2.96Å; V56-L66 HydrophobicContact CG1-CB 4.34Å; V56-L66 HydrophobicContact CG1-CD1 4.3Å; Q64-L66 PolarHBondContact O-N 2.93Å; L66-N78 HydrophobicContact CD1-CB 4.06Å; L66-N78 HydrophobicContact CG-CB 4.36Å; L66-N78 VanDerWaalsContact O-CB 3.28Å; L66-N78 WeakPolarHBondContact O-CB 3.23Å; L66-N78 PolarHBondContact O-ND2 2.99Å; L66-F81 HydrophobicContact CD1-CD2 4.44Å; L66-F81 HydrophobicContact CD2-CB 3.88Å; L66-F81 HydrophobicContact CD2-CD2 4.17Å; L66-F81 HydrophobicContact CD2-CG 3.97Å; L66-L94 HydrophobicContact CD2-CD1 4.14Å; L66-L94 HydrophobicContact CD2-CD2 4.32Å; L66-Y107 HydrophobicContact CD2-CD1 4.38Å; L66-Y107 HydrophobicContact CD2-CE1 4.29Å
67	F	98.6	Very high	96.8	Very high	17 Å²	17	67.2 Å²	67.2	8%	0.075	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	169.6	168.9	51.8	-99.9	0	0	0	110.9	W54 L65 V69 N78 F81 A83 F92 L94	W54-F67 HydrophobicContact CB-CE2 4.2Å; W54-F67 HydrophobicContact CB-CZ 4.19Å; W54-F67 AromaticContact CD1-CE2 3.63Å; W54-F67 AromaticContact CD1-CZ 3.79Å; W54-F67 HydrophobicContact CG-CE2 4.27Å; W54-F67 HydrophobicContact CG-CZ 4.24Å; W54-F67 PolarHBondContact N-O 3.42Å; W54-F67 PolarHBondContact O-N 2.92Å; L65-F67 WeakPolarHBondContact CD1-O 3.11Å; F67-V69 HydrophobicContact CD2-CG2 4.47Å; F67-N78 HydrophobicContact CD1-CB 3.87Å; F67-F81 HydrophobicContact CE1-CB 4.12Å; F67-A83 HydrophobicContact CE2-CB 3.8Å; F67-A83 HydrophobicContact CZ-CB 3.87Å; F67-F92 HydrophobicContact CD2-CZ 4.25Å; F67-F92 HydrophobicContact CE2-CE1 4.35Å; F67-F92 AromaticContact CE2-CZ 3.79Å; F67-F92 HydrophobicContact CE2-CZ 3.79Å; F67-L94 HydrophobicContact CE1-CD1 3.89Å; F67-L94 HydrophobicContact CZ-CD1 3.5Å
68	K	97.9	Very high	96.9	Very high	123 Å²	123	67.9 Å²	67.9	54%	0.535	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.3	172.7	70.7	-178.7	-178.6	178	0	111.3	T51 L52 F53 L65	T51-K68 HydrophobicContact CG2-CB 4.24Å; T51-K68 HydrophobicContact CG2-CD 4.36Å; L52-K68 CarbonylContact O-C 3.53Å; L52-K68 VanDerWaalsContact O-CA 3.23Å; L52-K68 WeakPolarHBondContact O-CA 3.5Å; F53-K68 HydrophobicContact CD1-CB 3.4Å; F53-K68 VanDerWaalsContact CD1-CB 3.4Å; F53-K68 HydrophobicContact CD1-CD 4.19Å; F53-K68 HydrophobicContact CD1-CG 4.44Å; F53-K68 HydrophobicContact CE1-CB 3.69Å; F53-K68 HydrophobicContact CE1-CD 3.65Å; F53-K68 HydrophobicContact CE1-CG 4.32Å; F53-K68 HydrophobicContact CG-CB 4.16Å; L65-K68 HydrophobicContact CD1-CB 4.47Å
69	V	98.4	Very high	96.9	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.012	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	109.3	177.2	-178.4	0	0	0	0	108.8	L52 F67 K71 E74 G76 Y85 F92	L52-V69 PolarHBondContact N-O 2.8Å; L52-V69 PolarHBondContact O-N 2.7Å; F67-V69 HydrophobicContact CD2-CG2 4.47Å; V69-K71 WeakPolarHBondContact CG1-O 3.48Å; V69-E74 HydrophobicContact CG1-CB 3.72Å; V69-G76 VanDerWaalsContact CG2-CA 3.5Å; V69-G76 VanDerWaalsContact CG2-N 3.29Å; V69-Y85 HydrophobicContact CG1-CD1 4.22Å; V69-Y85 HydrophobicContact CG1-CG 4.44Å; V69-F92 HydrophobicContact CB-CE2 3.9Å; V69-F92 HydrophobicContact CB-CZ 3.92Å; V69-F92 HydrophobicContact CG2-CE2 3.68Å; V69-F92 HydrophobicContact CG2-CZ 3.63Å
70	P	96.6	Very high	97.1	Very high	57 Å²	57	68.6 Å²	68.6	37%	0.37	40%	0.397	S	S	.	.			trans	-85.5	-13.2	-175.5	33.1	-34.4	0	0	0	113.9	Y49 T51	Y49-P70 WeakPolarHBondContact CE1-O 3.27Å; T51-P70 HydrophobicContact CG2-CB 4.2Å
71	K	96.4	Very high	97.2	Very high	115 Å²	115	64.2 Å²	64.2	50%	0.5	35%	0.352	S	S	.	.	S	Bend	trans	-130	137.7	-174.5	-65.4	173.7	-176.9	171.7	0	111.8	Y49 V69 E74 Y85	Y49-K71 WeakPolarHBondContact OH-CA 3.48Å; V69-K71 WeakPolarHBondContact CG1-O 3.48Å; K71-E74 HydrophobicContact CB-CG 4.03Å; K71-E74 WeakPolarHBondContact CD-OE1 3.44Å; K71-E74 WeakPolarHBondContact O-CB 3.16Å; K71-E74 PolarHBondContact O-N 2.65Å; K71-Y85 VanDerWaalsContact O-CD1 3.29Å; K71-Y85 WeakPolarHBondContact O-CD1 3.41Å
72	A	94.6	Very high	97.4	Very high	19 Å²	19	62.8 Å²	62.8	16%	0.157	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	143.5	172.3	0	0	0	0	0	111.2	Y49 E74 Y85 K87	Y49-A72 HydrophobicContact CE2-CB 4.07Å; Y49-A72 WeakPolarHBondContact OH-CB 3.42Å; Y49-A72 PolarHBondContact OH-N 2.85Å; A72-E74 PolarHBondContact O-N 3.26Å; A72-Y85 HydrophobicContact CB-CD1 4.41Å; A72-Y85 HydrophobicContact CB-CE1 4.21Å; A72-Y85 VanDerWaalsContact N-CD1 3.32Å; A72-K87 HydrophobicContact CB-CB 3.69Å; A72-K87 HydrophobicContact CB-CD 4.08Å; A72-K87 HydrophobicContact CB-CG 4.47Å
73	N	94.5	Very high	97.6	Very high	120 Å²	120	60.7 Å²	60.7	64%	0.642	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	4.2	-178.2	-50.3	-38.2	0	0	0	115	Y85	N73-Y85 WeakPolarHBondContact CA-O 3.46Å; N73-Y85 PolarHBondContact N-O 2.86Å
74	E	97.9	Very high	97.7	Very high	83 Å²	83	60 Å²	60	39%	0.388	32%	0.317	S	S	.	.			trans	-84.9	156.3	167.4	-67	-174.1	173	0	0	111.2	V69 K71 A72 Y85	V69-E74 HydrophobicContact CG1-CB 3.72Å; K71-E74 HydrophobicContact CB-CG 4.03Å; K71-E74 WeakPolarHBondContact CD-OE1 3.44Å; K71-E74 WeakPolarHBondContact O-CB 3.16Å; K71-E74 PolarHBondContact O-N 2.65Å; A72-E74 PolarHBondContact O-N 3.26Å; E74-Y85 PolarHBondContact O-N 3.41Å
75	K	98.1	Very high	97.7	Very high	110 Å²	110	56.4 Å²	56.4	48%	0.478	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127	179.2	-178.4	177	178.9	175.7	0	109.5	E82 A83	K75-E82 VanDerWaalsContact CE-CB 3.41Å; K75-E82 WeakPolarHBondContact CE-OE1 3.42Å; K75-E82 WeakPolarHBondContact CE-OE2 3.28Å; K75-E82 IonicContact NZ-OE1 2.87Å; K75-E82 PolarHBondContact NZ-OE1 2.88Å; K75-E82 IonicContact NZ-OE2 2.67Å; K75-E82 PolarHBondContact NZ-OE2 2.81Å; K75-A83 WeakPolarHBondContact CA-O 3.34Å
76	G	98.1	Very high	97.6	Very high	7 Å²	7	55.4 Å²	55.4	7%	0.072	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145.7	168.7	0	0	0	0	0	109.8	V69 E82 A83	V69-G76 VanDerWaalsContact CG2-CA 3.5Å; V69-G76 VanDerWaalsContact CG2-N 3.29Å; G76-E82 CarbonylContact O-C 3.51Å; G76-E82 VanDerWaalsContact O-CA 3.24Å; G76-E82 WeakPolarHBondContact O-CA 3.23Å; G76-A83 PolarHBondContact N-O 2.02Å; G76-A83 PolarHBondContact O-N 2.67Å
77	S	98.4	Very high	97.5	Very high	85 Å²	85	60.3 Å²	60.3	59%	0.594	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.2	145.9	172.8	62.6	0	0	0	0	112.2	F81	S77-F81 CarbonylContact C-O 3.52Å; S77-F81 WeakPolarHBondContact CA-O 3.06Å; S77-F81 WeakPolarHBondContact CB-O 3.33Å
78	N	98.4	Very high	97.3	Very high	67 Å²	67	68.1 Å²	68.1	36%	0.358	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	143.9	171.8	-167.4	2.7	0	0	0	109.5	L66 F67 G80 F81	L66-N78 HydrophobicContact CD1-CB 4.06Å; L66-N78 HydrophobicContact CG-CB 4.36Å; L66-N78 VanDerWaalsContact O-CB 3.28Å; L66-N78 WeakPolarHBondContact O-CB 3.23Å; L66-N78 PolarHBondContact O-ND2 2.99Å; F67-N78 HydrophobicContact CD1-CB 3.87Å; N78-G80 PolarHBondContact O-N 2.85Å; N78-F81 PolarHBondContact N-O 3.49Å; N78-F81 WeakPolarHBondContact O-CA 2.99Å; N78-F81 WeakPolarHBondContact O-CB 3.31Å; N78-F81 PolarHBondContact O-N 3.04Å
79	R	96.7	Very high	97.2	Very high	108 Å²	108	64.8 Å²	64.8	41%	0.408	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	33.1	177.2	-65.4	-174.8	-96.4	-167.9	-9.3	114.5	Y58 F81 K96	Y58-R79 PolarHBondContact OH-NH1 3.31Å; Y58-R79 VanDerWaalsContact OH-NH1 3.08Å; R79-F81 HydrophobicContact CB-CD2 4.26Å; R79-F81 PolarHBondContact O-N 3.02Å; R79-K96 PolarHBondContact O-NZ 2.82Å
80	G	97.6	Very high	97.1	Very high	55 Å²	55	67.9 Å²	67.9	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-1.4	-177.3	0	0	0	0	0	115.1	N78	N78-G80 PolarHBondContact O-N 2.85Å
81	F	98.6	Very high	97.2	Very high	1 Å²	1	65.6 Å²	65.6	0%	0.004	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	149.1	166.7	-65.5	-89.3	0	0	0	110.6	L38 L66 F67 S77 N78 R79 L94 Q95 K96 D103 Y107	L38-F81 HydrophobicContact CD2-CE1 3.85Å; L66-F81 HydrophobicContact CD1-CD2 4.44Å; L66-F81 HydrophobicContact CD2-CB 3.88Å; L66-F81 HydrophobicContact CD2-CD2 4.17Å; L66-F81 HydrophobicContact CD2-CG 3.97Å; F67-F81 HydrophobicContact CE1-CB 4.12Å; S77-F81 CarbonylContact C-O 3.52Å; S77-F81 WeakPolarHBondContact CA-O 3.06Å; S77-F81 WeakPolarHBondContact CB-O 3.33Å; N78-F81 PolarHBondContact N-O 3.49Å; N78-F81 WeakPolarHBondContact O-CA 2.99Å; N78-F81 WeakPolarHBondContact O-CB 3.31Å; N78-F81 PolarHBondContact O-N 3.04Å; R79-F81 HydrophobicContact CB-CD2 4.26Å; R79-F81 PolarHBondContact O-N 3.02Å; F81-L94 HydrophobicContact CB-CD1 3.89Å; F81-L94 HydrophobicContact CB-CG 4.48Å; F81-L94 HydrophobicContact CD1-CD1 4.21Å; F81-L94 HydrophobicContact CD1-CD2 3.83Å; F81-L94 HydrophobicContact CD1-CG 3.9Å; F81-L94 HydrophobicContact CE1-CD2 4.3Å; F81-L94 HydrophobicContact CG-CD1 4.45Å; F81-Q95 CarbonylContact C-O 3.57Å; F81-Q95 VanDerWaalsContact CA-O 3.3Å; F81-Q95 WeakPolarHBondContact CA-O 3.11Å; F81-K96 HydrophobicContact CD1-CB 3.81Å; F81-K96 HydrophobicContact CD1-CD 3.92Å; F81-K96 HydrophobicContact CD1-CG 4.47Å; F81-K96 HydrophobicContact CD2-CD 3.98Å; F81-K96 HydrophobicContact CE1-CB 3.97Å; F81-K96 HydrophobicContact CE1-CD 3.65Å; F81-K96 HydrophobicContact CE1-CG 4.46Å; F81-K96 HydrophobicContact CE2-CD 3.7Å; F81-K96 HydrophobicContact CG-CB 4.42Å; F81-K96 HydrophobicContact CG-CD 4.08Å; F81-K96 HydrophobicContact CZ-CD 3.51Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.18Å; F81-D103 HydrophobicContact CZ-CB 3.97Å; F81-Y107 HydrophobicContact CD1-CE1 4.4Å; F81-Y107 AromaticContact CE1-CE1 3.84Å; F81-Y107 HydrophobicContact CE1-CE1 3.84Å; F81-Y107 AromaticContact CE1-CZ 3.89Å; F81-Y107 HydrophobicContact CE2-CE1 4.31Å; F81-Y107 AromaticContact CZ-CE1 3.8Å; F81-Y107 HydrophobicContact CZ-CE1 3.8Å; F81-Y107 AromaticContact CZ-CZ 3.65Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.21Å
82	E	98.7	Very high	97.3	Very high	65 Å²	65	60.1 Å²	60.1	30%	0.304	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.1	177.8	58	-175.7	-127.8	0	0	112.4	K75 G76 L94 Q95	K75-E82 VanDerWaalsContact CE-CB 3.41Å; K75-E82 WeakPolarHBondContact CE-OE1 3.42Å; K75-E82 WeakPolarHBondContact CE-OE2 3.28Å; K75-E82 IonicContact NZ-OE1 2.87Å; K75-E82 PolarHBondContact NZ-OE1 2.88Å; K75-E82 IonicContact NZ-OE2 2.67Å; K75-E82 PolarHBondContact NZ-OE2 2.81Å; G76-E82 CarbonylContact O-C 3.51Å; G76-E82 VanDerWaalsContact O-CA 3.24Å; G76-E82 WeakPolarHBondContact O-CA 3.23Å; E82-L94 CarbonylContact O-C 3.57Å; E82-Q95 HydrophobicContact CG-CB 4.04Å; E82-Q95 PolarHBondContact N-O 2.99Å; E82-Q95 PolarHBondContact O-N 3.36Å
83	A	98.6	Very high	97.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.2	168.1	0	0	0	0	0	109.9	F67 K75 G76 F92 H93	F67-A83 HydrophobicContact CE2-CB 3.8Å; F67-A83 HydrophobicContact CZ-CB 3.87Å; K75-A83 WeakPolarHBondContact CA-O 3.34Å; G76-A83 PolarHBondContact N-O 2.02Å; G76-A83 PolarHBondContact O-N 2.67Å; A83-F92 HydrophobicContact CB-CD1 4.48Å; A83-F92 HydrophobicContact CB-CD2 3.75Å; A83-F92 HydrophobicContact CB-CE1 4.31Å; A83-F92 HydrophobicContact CB-CE2 3.52Å; A83-F92 HydrophobicContact CB-CG 4.24Å; A83-F92 HydrophobicContact CB-CZ 3.83Å; A83-H93 WeakPolarHBondContact CA-O 3.41Å; A83-H93 WeakPolarHBondContact CB-O 3.35Å
84	T	98.6	Very high	97.6	Very high	65 Å²	65	56.1 Å²	56.1	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.5	176.1	-59.4	0	0	0	0	108.8	N86	T84-N86 PolarHBondContact O-N 2.86Å
85	Y	98	Very high	97.7	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.302	C	S	.	.			trans	-74.8	95.3	174.9	178.6	-173.8	0	0	0	109.5	Y44 P50 L52 V69 K71 A72 N73 E74 K87	Y44-Y85 HydrophobicContact CE1-CD2 4.35Å; Y44-Y85 AromaticContact CE1-CE2 3.84Å; Y44-Y85 HydrophobicContact CE1-CE2 3.84Å; Y44-Y85 AromaticContact CZ-CE2 3.77Å; Y44-Y85 VanDerWaalsContact OH-CE2 3.26Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.22Å; P50-Y85 WeakPolarHBondContact CD-OH 3.34Å; P50-Y85 WeakPolarHBondContact CG-OH 3.45Å; P50-Y85 WeakPolarHBondContact O-CE1 3.41Å; L52-Y85 HydrophobicContact CD1-CD1 4.18Å; L52-Y85 HydrophobicContact CD1-CD2 3.31Å; L52-Y85 HydrophobicContact CD1-CE1 4.39Å; L52-Y85 HydrophobicContact CD1-CE2 3.6Å; L52-Y85 HydrophobicContact CD1-CG 3.69Å; L52-Y85 HydrophobicContact CG-CD1 4.4Å; L52-Y85 HydrophobicContact CG-CD2 4.31Å; L52-Y85 HydrophobicContact CG-CE1 4.45Å; L52-Y85 HydrophobicContact CG-CE2 4.39Å; L52-Y85 HydrophobicContact CG-CG 4.38Å; V69-Y85 HydrophobicContact CG1-CD1 4.22Å; V69-Y85 HydrophobicContact CG1-CG 4.44Å; K71-Y85 VanDerWaalsContact O-CD1 3.29Å; K71-Y85 WeakPolarHBondContact O-CD1 3.41Å; A72-Y85 HydrophobicContact CB-CD1 4.41Å; A72-Y85 HydrophobicContact CB-CE1 4.21Å; A72-Y85 VanDerWaalsContact N-CD1 3.32Å; N73-Y85 WeakPolarHBondContact CA-O 3.46Å; N73-Y85 PolarHBondContact N-O 2.86Å; E74-Y85 PolarHBondContact O-N 3.41Å; Y85-K87 HydrophobicContact CE2-CB 4.06Å
86	N	97.7	Very high	97.7	Very high	58 Å²	58	51.2 Å²	51.2	31%	0.31	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-92.5	101.5	175.5	-171	-24.1	0	0	0	110.6	T84 E88 A89 T90 S91	T84-N86 PolarHBondContact O-N 2.86Å; N86-E88 PolarHBondContact OD1-N 2.76Å; N86-E88 VanDerWaalsContact OD1-N 3.1Å; N86-A89 HydrophobicContact CB-CB 4.3Å; N86-A89 PolarHBondContact OD1-N 2.82Å; N86-T90 WeakPolarHBondContact O-CA 3.41Å; N86-T90 PolarHBondContact O-N 2.91Å; N86-T90 VanDerWaalsContact O-N 3.1Å; N86-S91 PolarHBondContact N-O 2.87Å; N86-S91 PolarHBondContact O-N 2.97Å
87	K	94.9	Very high	97.7	Very high	107 Å²	107	55 Å²	55	47%	0.465	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-35.4	179.6	-176.4	179.6	179.3	-173.8	0	112.9	Y49 A72 Y85 T90	Y49-K87 HydrophobicContact CD2-CD 4.4Å; Y49-K87 HydrophobicContact CE2-CD 4.11Å; A72-K87 HydrophobicContact CB-CB 3.69Å; A72-K87 HydrophobicContact CB-CD 4.08Å; A72-K87 HydrophobicContact CB-CG 4.47Å; Y85-K87 HydrophobicContact CE2-CB 4.06Å; K87-T90 PolarHBondContact O-N 3.42Å
88	E	94.8	Very high	97.6	Very high	182 Å²	182	53.8 Å²	53.8	85%	0.85	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-41.4	-177.7	-64.9	-178.4	177.8	0	0	111.5	N86 T90	N86-E88 PolarHBondContact OD1-N 2.76Å; N86-E88 VanDerWaalsContact OD1-N 3.1Å; E88-T90 VanDerWaalsContact C-N 3.29Å
89	A	96.7	Very high	97.5	Very high	52 Å²	52	51.2 Å²	51.2	43%	0.43	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	2	175.7	0	0	0	0	0	113.4	N86 S91	N86-A89 HydrophobicContact CB-CB 4.3Å; N86-A89 PolarHBondContact OD1-N 2.82Å; A89-S91 VanDerWaalsContact C-N 3.27Å; A89-S91 PolarHBondContact O-N 3.13Å
90	T	96.3	Very high	97.6	Very high	67 Å²	67	51 Å²	51	41%	0.411	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	47.7	-175.9	51.6	0	0	0	0	112.7	S43 Y44 N86 K87 E88	S43-T90 VanDerWaalsContact CA-O 3.23Å; S43-T90 WeakPolarHBondContact CA-O 3.42Å; S43-T90 WeakPolarHBondContact CB-O 3.47Å; Y44-T90 PolarHBondContact N-O 2.89Å; Y44-T90 WeakPolarHBondContact O-CB 3.32Å; N86-T90 WeakPolarHBondContact O-CA 3.41Å; N86-T90 PolarHBondContact O-N 2.91Å; N86-T90 VanDerWaalsContact O-N 3.1Å; K87-T90 PolarHBondContact O-N 3.42Å; E88-T90 VanDerWaalsContact C-N 3.29Å
91	S	97.6	Very high	97.4	Very high	10 Å²	10	56 Å²	56	7%	0.07	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-139.4	157.6	-170.5	79.7	0	0	0	0	115.5	C42 N86 A89 H93	C42-S91 WeakPolarHBondContact O-CA 3.25Å; C42-S91 WeakPolarHBondContact O-CB 3.49Å; N86-S91 PolarHBondContact N-O 2.87Å; N86-S91 PolarHBondContact O-N 2.97Å; A89-S91 VanDerWaalsContact C-N 3.27Å; A89-S91 PolarHBondContact O-N 3.13Å; S91-H93 WeakPolarHBondContact CB-NE2 3.36Å; S91-H93 PolarHBondContact OG-CD2 3.28Å; S91-H93 PolarHBondContact OG-NE2 2.83Å
92	F	98.2	Very high	97.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.			trans	-153.2	49.9	-177.1	-167.2	-129.3	0	0	0	112	C42 L52 W54 F67 V69 A83 L94	C42-F92 PolarHBondContact O-N 3.08Å; L52-F92 HydrophobicContact CB-CD1 3.53Å; L52-F92 HydrophobicContact CB-CD2 4.31Å; L52-F92 HydrophobicContact CB-CE1 3.64Å; L52-F92 HydrophobicContact CB-CE2 4.42Å; L52-F92 HydrophobicContact CB-CG 3.88Å; L52-F92 HydrophobicContact CB-CZ 4.1Å; L52-F92 HydrophobicContact CD1-CB 3.6Å; L52-F92 HydrophobicContact CD1-CD1 4.21Å; L52-F92 HydrophobicContact CD1-CD2 4.12Å; L52-F92 HydrophobicContact CD1-CG 3.74Å; L52-F92 HydrophobicContact CG-CD1 4.48Å; L52-F92 HydrophobicContact CG-CG 4.46Å; W54-F92 AromaticContact CD1-CD1 3.52Å; W54-F92 AromaticContact CD1-CE1 3.14Å; W54-F92 AromaticContact CD1-CZ 3.81Å; W54-F92 HydrophobicContact CG-CE1 4.15Å; W54-F92 VanDerWaalsContact CZ2-O 3.31Å; W54-F92 WeakPolarHBondContact CZ2-O 3.32Å; W54-F92 AromaticContact NE1-CD1 3.28Å; W54-F92 VanDerWaalsContact NE1-CD1 3.28Å; W54-F92 AromaticContact NE1-CE1 3.47Å; W54-F92 AromaticContact NE1-CG 3.96Å; W54-F92 PolarHBondContact NE1-O 3.14Å; F67-F92 HydrophobicContact CD2-CZ 4.25Å; F67-F92 HydrophobicContact CE2-CE1 4.35Å; F67-F92 AromaticContact CE2-CZ 3.79Å; F67-F92 HydrophobicContact CE2-CZ 3.79Å; V69-F92 HydrophobicContact CB-CE2 3.9Å; V69-F92 HydrophobicContact CB-CZ 3.92Å; V69-F92 HydrophobicContact CG2-CE2 3.68Å; V69-F92 HydrophobicContact CG2-CZ 3.63Å; A83-F92 HydrophobicContact CB-CD1 4.48Å; A83-F92 HydrophobicContact CB-CD2 3.75Å; A83-F92 HydrophobicContact CB-CE1 4.31Å; A83-F92 HydrophobicContact CB-CE2 3.52Å; A83-F92 HydrophobicContact CB-CG 4.24Å; A83-F92 HydrophobicContact CB-CZ 3.83Å; F92-L94 PolarHBondContact O-N 3.19Å
93	H	98.4	Very high	97.1	Very high	55 Å²	55	57.4 Å²	57.4	26%	0.255	32%	0.319	S	S	.	.			trans	-59.5	131.1	-176.6	-48.4	-80.2	0	0	0	112	T39 V40 N41 C42 A83 S91	T39-H93 HydrophobicContact CG2-CB 4.26Å; V40-H93 CarbonylContact O-C 3.53Å; V40-H93 VanDerWaalsContact O-CA 3.31Å; V40-H93 WeakPolarHBondContact O-CA 3.25Å; N41-H93 VanDerWaalsContact CA-ND1 3.3Å; N41-H93 WeakPolarHBondContact CA-ND1 3.47Å; N41-H93 PolarHBondContact OD1-ND1 2.84Å; C42-H93 PolarHBondContact N-ND1 2.65Å; A83-H93 WeakPolarHBondContact CA-O 3.41Å; A83-H93 WeakPolarHBondContact CB-O 3.35Å; S91-H93 WeakPolarHBondContact CB-NE2 3.36Å; S91-H93 PolarHBondContact OG-CD2 3.28Å; S91-H93 PolarHBondContact OG-NE2 2.83Å
94	L	98.6	Very high	97	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132	172.7	-168.5	63.9	0	0	0	109.6	T39 V40 W54 L66 F67 F81 E82 F92 Y107	T39-L94 CarbonylContact C-O 3.59Å; T39-L94 VanDerWaalsContact CA-O 3.28Å; T39-L94 WeakPolarHBondContact CA-O 3.44Å; V40-L94 HydrophobicContact CB-CB 4.12Å; V40-L94 PolarHBondContact N-O 2.87Å; V40-L94 PolarHBondContact O-N 2.83Å; W54-L94 HydrophobicContact CB-CD1 4.38Å; W54-L94 HydrophobicContact CD2-CB 3.9Å; W54-L94 HydrophobicContact CD2-CD1 4.05Å; W54-L94 HydrophobicContact CD2-CD2 4.08Å; W54-L94 HydrophobicContact CD2-CG 4.24Å; W54-L94 HydrophobicContact CE3-CB 4.25Å; W54-L94 HydrophobicContact CE3-CD2 3.93Å; W54-L94 HydrophobicContact CG-CD1 3.84Å; W54-L94 HydrophobicContact CH2-CB 3.9Å; W54-L94 HydrophobicContact CZ2-CB 3.53Å; W54-L94 HydrophobicContact CZ3-CB 4.25Å; W54-L94 HydrophobicContact CZ3-CD2 4.26Å; L66-L94 HydrophobicContact CD2-CD1 4.14Å; L66-L94 HydrophobicContact CD2-CD2 4.32Å; F67-L94 HydrophobicContact CE1-CD1 3.89Å; F67-L94 HydrophobicContact CZ-CD1 3.5Å; F81-L94 HydrophobicContact CB-CD1 3.89Å; F81-L94 HydrophobicContact CB-CG 4.48Å; F81-L94 HydrophobicContact CD1-CD1 4.21Å; F81-L94 HydrophobicContact CD1-CD2 3.83Å; F81-L94 HydrophobicContact CD1-CG 3.9Å; F81-L94 HydrophobicContact CE1-CD2 4.3Å; F81-L94 HydrophobicContact CG-CD1 4.45Å; E82-L94 CarbonylContact O-C 3.57Å; F92-L94 PolarHBondContact O-N 3.19Å; L94-Y107 HydrophobicContact CD2-CD1 3.47Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.47Å; L94-Y107 HydrophobicContact CD2-CE1 4.08Å; L94-Y107 HydrophobicContact CD2-CG 3.96Å
95	Q	98.4	Very high	96.9	Very high	74 Å²	74	59.4 Å²	59.4	35%	0.346	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.5	-177.8	-64.4	166.7	14.2	0	0	110.2	L38 T39 F81 E82	L38-Q95 WeakPolarHBondContact O-CA 3.28Å; T39-Q95 HydrophobicContact CG2-CG 4.25Å; F81-Q95 CarbonylContact C-O 3.57Å; F81-Q95 VanDerWaalsContact CA-O 3.3Å; F81-Q95 WeakPolarHBondContact CA-O 3.11Å; E82-Q95 HydrophobicContact CG-CB 4.04Å; E82-Q95 PolarHBondContact N-O 2.99Å; E82-Q95 PolarHBondContact O-N 3.36Å
96	K	98.1	Very high	96.8	Very high	16 Å²	16	60.6 Å²	60.6	7%	0.07	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	130.9	169.1	-179.6	160.2	-178.1	162.9	0	108.6	S37 L38 R79 F81 S98 D103	S37-K96 CarbonylContact C-O 3.59Å; S37-K96 VanDerWaalsContact CA-O 3.32Å; S37-K96 WeakPolarHBondContact CA-O 3.33Å; L38-K96 HydrophobicContact CB-CB 4.37Å; L38-K96 PolarHBondContact N-O 2.92Å; L38-K96 PolarHBondContact O-N 3.11Å; L38-K96 VanDerWaalsContact O-N 3.13Å; R79-K96 PolarHBondContact O-NZ 2.82Å; F81-K96 HydrophobicContact CD1-CB 3.81Å; F81-K96 HydrophobicContact CD1-CD 3.92Å; F81-K96 HydrophobicContact CD1-CG 4.47Å; F81-K96 HydrophobicContact CD2-CD 3.98Å; F81-K96 HydrophobicContact CE1-CB 3.97Å; F81-K96 HydrophobicContact CE1-CD 3.65Å; F81-K96 HydrophobicContact CE1-CG 4.46Å; F81-K96 HydrophobicContact CE2-CD 3.7Å; F81-K96 HydrophobicContact CG-CB 4.42Å; F81-K96 HydrophobicContact CG-CD 4.08Å; F81-K96 HydrophobicContact CZ-CD 3.51Å; K96-S98 VanDerWaalsContact C-N 3.31Å; K96-S98 VanDerWaalsContact CE-O 3.22Å; K96-S98 WeakPolarHBondContact CE-O 3.25Å; K96-S98 PolarHBondContact O-N 2.96Å; K96-D103 WeakPolarHBondContact CE-OD2 3.34Å; K96-D103 IonicContact NZ-OD1 2.7Å; K96-D103 PolarHBondContact NZ-OD1 2.91Å; K96-D103 IonicContact NZ-OD2 2.8Å; K96-D103 PolarHBondContact NZ-OD2 3.06Å
97	A	97.9	Very high	96.8	Very high	87 Å²	87	59.1 Å²	59.1	72%	0.719	34%	0.335	S	S	*	.	S	Bend	trans	-67.6	-32.9	-173.8	0	0	0	0	0	113.1	S37	S37-A97 WeakPolarHBondContact CA-O 3.37Å
98	S	97.4	Very high	96.9	Very high	59 Å²	59	57 Å²	57	41%	0.413	32%	0.324	S	S	.	.	S	Bend	trans	-150.6	110.2	-176.3	-161.1	0	0	0	0	109.3	G35 T36 K96	G35-S98 VanDerWaalsContact CA-OG 3.23Å; G35-S98 WeakPolarHBondContact CA-OG 3.43Å; G35-S98 PolarHBondContact O-OG 3.03Å; G35-S98 VanDerWaalsContact O-OG 3.04Å; T36-S98 WeakPolarHBondContact O-CA 3.45Å; K96-S98 VanDerWaalsContact C-N 3.31Å; K96-S98 VanDerWaalsContact CE-O 3.22Å; K96-S98 WeakPolarHBondContact CE-O 3.25Å; K96-S98 PolarHBondContact O-N 2.96Å
99	V	96.9	Very high	97	Very high	12 Å²	12	49 Å²	49	7%	0.073	29%	0.288	C	S	.	.			trans	-81	148.7	179.1	-62.2	0	0	0	0	111.9	L32 S33 E34 G35 T36 L38 D103	L32-V99 HydrophobicContact CB-CG2 4.22Å; S33-V99 WeakPolarHBondContact O-CG2 3.34Å; E34-V99 WeakPolarHBondContact CA-O 3.45Å; E34-V99 WeakPolarHBondContact CG-O 3.47Å; G35-V99 PolarHBondContact N-O 3.02Å; T36-V99 WeakPolarHBondContact O-CG2 3.41Å; T36-V99 PolarHBondContact O-N 3.43Å; L38-V99 HydrophobicContact CB-CG1 3.5Å; L38-V99 HydrophobicContact CD2-CG1 4.22Å; L38-V99 HydrophobicContact CG-CG1 4.45Å; V99-D103 WeakPolarHBondContact CA-OD2 3.48Å
100	Q	96.8	Very high	97	Very high	104 Å²	104	48 Å²	48	49%	0.486	28%	0.28	S	S	.	.			trans	-119.2	162.2	174.5	-66.2	172	56.1	0	0	110	S102 D103	Q100-S102 PolarHBondContact O-N 3.23Å; Q100-S102 VanDerWaalsContact O-N 3.16Å; Q100-D103 PolarHBondContact N-OD2 2.93Å; Q100-D103 VanDerWaalsContact O-CB 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.3Å; Q100-D103 PolarHBondContact O-N 3.27Å
101	E	94.9	Very high	96.9	Very high	161 Å²	161	46.6 Å²	46.6	75%	0.752	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-56.1	-34.9	176.5	-67.1	-169.9	160.5	0	0	112.7	D103 S104	E101-D103 PolarHBondContact O-N 2.77Å; E101-D103 VanDerWaalsContact O-N 3.14Å; E101-S104 VanDerWaalsContact O-CB 3.3Å; E101-S104 WeakPolarHBondContact O-CB 3.29Å; E101-S104 PolarHBondContact O-N 3.1Å; E101-S104 VanDerWaalsContact O-N 3.1Å
102	S	94.9	Very high	96.6	Very high	79 Å²	79	50.3 Å²	50.3	55%	0.552	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-66	-10.6	176.7	64.3	0	0	0	0	114.5	Y58 Q100 S104	Y58-S102 WeakPolarHBondContact CE1-O 3.49Å; Q100-S102 PolarHBondContact O-N 3.23Å; Q100-S102 VanDerWaalsContact O-N 3.16Å; S102-S104 VanDerWaalsContact C-N 3.29Å
103	D	96.3	Very high	96.5	Very high	16 Å²	16	52.9 Å²	52.9	9%	0.086	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-83.8	-4.1	174.3	-65.3	-43.4	0	0	0	112.9	F81 K96 V99 Q100 E101 A105 Y107	F81-D103 WeakPolarHBondContact CE2-OD1 3.18Å; F81-D103 HydrophobicContact CZ-CB 3.97Å; K96-D103 WeakPolarHBondContact CE-OD2 3.34Å; K96-D103 IonicContact NZ-OD1 2.7Å; K96-D103 PolarHBondContact NZ-OD1 2.91Å; K96-D103 IonicContact NZ-OD2 2.8Å; K96-D103 PolarHBondContact NZ-OD2 3.06Å; V99-D103 WeakPolarHBondContact CA-OD2 3.48Å; Q100-D103 PolarHBondContact N-OD2 2.93Å; Q100-D103 VanDerWaalsContact O-CB 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.3Å; Q100-D103 PolarHBondContact O-N 3.27Å; E101-D103 PolarHBondContact O-N 2.77Å; E101-D103 VanDerWaalsContact O-N 3.14Å; D103-A105 PolarHBondContact O-N 2.61Å; D103-Y107 WeakPolarHBondContact O-CE2 3.36Å; D103-Y107 PolarHBondContact O-OH 3.04Å
104	S	96.3	Very high	96.4	Very high	81 Å²	81	52.7 Å²	52.7	57%	0.566	31%	0.314	S	S	*	.			trans	-65.4	106.5	177.6	-170.8	0	0	0	0	111.2	E101 S102	E101-S104 VanDerWaalsContact O-CB 3.3Å; E101-S104 WeakPolarHBondContact O-CB 3.29Å; E101-S104 PolarHBondContact O-N 3.1Å; E101-S104 VanDerWaalsContact O-N 3.1Å; S102-S104 VanDerWaalsContact C-N 3.29Å
105	A	96.3	Very high	96.3	Very high	27 Å²	27	55.7 Å²	55.7	22%	0.223	33%	0.331	C	S	.	.	S	Bend	trans	-163.6	172.5	-175.2	0	0	0	0	0	110.7	V56 Q57 Y58 D103 Y107	V56-A105 HydrophobicContact CG2-CB 3.54Å; Q57-A105 WeakPolarHBondContact O-CB 3.32Å; Y58-A105 HydrophobicContact CD1-CB 3.73Å; Y58-A105 HydrophobicContact CE1-CB 3.89Å; Y58-A105 HydrophobicContact CG-CB 4.38Å; D103-A105 PolarHBondContact O-N 2.61Å; A105-Y107 HydrophobicContact CB-CE2 3.9Å; A105-Y107 WeakPolarHBondContact O-CD2 3.45Å
106	V	96.4	Very high	96.2	Very high	26 Å²	26	54.6 Å²	54.6	16%	0.158	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	131.6	166.7	-168.8	0	0	0	0	109.3	L11 L13 V56 Q57 Y108	L11-V106 HydrophobicContact CD1-CG2 3.99Å; L11-V106 HydrophobicContact CD2-CB 4.18Å; L11-V106 HydrophobicContact CD2-CG1 3.55Å; L11-V106 HydrophobicContact CD2-CG2 3.65Å; L11-V106 HydrophobicContact CG-CG2 4.02Å; L13-V106 HydrophobicContact CD2-CG1 4.42Å; V56-V106 CarbonylContact C-O 3.49Å; V56-V106 WeakPolarHBondContact CA-O 3.31Å; Q57-V106 HydrophobicContact CB-CB 4.36Å; Q57-V106 PolarHBondContact N-O 3.06Å; Q57-V106 PolarHBondContact O-N 2.86Å; V106-Y108 HydrophobicContact CB-CE2 3.86Å; V106-Y108 HydrophobicContact CG1-CD2 4.2Å; V106-Y108 HydrophobicContact CG1-CE1 3.91Å; V106-Y108 HydrophobicContact CG1-CE2 3.51Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.19Å
107	Y	96.6	Very high	96.1	Very high	26 Å²	26	57 Å²	57	10%	0.102	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.3	178	-64.3	-93	0	0	0	109.2	Q25 Y55 V56 L66 F81 L94 D103 A105	Q25-Y107 PolarHBondContact OE1-O 2.88Å; Y55-Y107 CarbonylContact O-C 3.54Å; Y55-Y107 WeakPolarHBondContact O-CA 3.3Å; V56-Y107 HydrophobicContact CB-CD1 4.08Å; V56-Y107 HydrophobicContact CB-CE1 3.95Å; V56-Y107 HydrophobicContact CG2-CD1 4.03Å; V56-Y107 HydrophobicContact CG2-CE1 3.57Å; L66-Y107 HydrophobicContact CD2-CD1 4.38Å; L66-Y107 HydrophobicContact CD2-CE1 4.29Å; F81-Y107 HydrophobicContact CD1-CE1 4.4Å; F81-Y107 AromaticContact CE1-CE1 3.84Å; F81-Y107 HydrophobicContact CE1-CE1 3.84Å; F81-Y107 AromaticContact CE1-CZ 3.89Å; F81-Y107 HydrophobicContact CE2-CE1 4.31Å; F81-Y107 AromaticContact CZ-CE1 3.8Å; F81-Y107 HydrophobicContact CZ-CE1 3.8Å; F81-Y107 AromaticContact CZ-CZ 3.65Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.21Å; L94-Y107 HydrophobicContact CD2-CD1 3.47Å; L94-Y107 VanDerWaalsContact CD2-CD1 3.47Å; L94-Y107 HydrophobicContact CD2-CE1 4.08Å; L94-Y107 HydrophobicContact CD2-CG 3.96Å; D103-Y107 WeakPolarHBondContact O-CE2 3.36Å; D103-Y107 PolarHBondContact O-OH 3.04Å; A105-Y107 HydrophobicContact CB-CE2 3.9Å; A105-Y107 WeakPolarHBondContact O-CD2 3.45Å
108	Y	96.8	Very high	96	Very high	64 Å²	64	55 Å²	55	25%	0.251	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	-179	-59.7	-86.4	0	0	0	110.4	L13 W54 Y55 Q57 V106	L13-Y108 HydrophobicContact CD2-CD1 4.27Å; L13-Y108 HydrophobicContact CD2-CE1 3.5Å; W54-Y108 WeakPolarHBondContact CA-O 3.09Å; Y55-Y108 PolarHBondContact N-O 3.27Å; Y55-Y108 PolarHBondContact O-N 2.91Å; Q57-Y108 HydrophobicContact CB-CE2 3.86Å; Q57-Y108 PolarHBondContact OE1-OH 2.98Å; V106-Y108 HydrophobicContact CB-CE2 3.86Å; V106-Y108 HydrophobicContact CG1-CD2 4.2Å; V106-Y108 HydrophobicContact CG1-CE1 3.91Å; V106-Y108 HydrophobicContact CG1-CE2 3.51Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.19Å
109	C	97.6	Very high	95.8	Very high	12 Å²	12	54.7 Å²	54.7	8%	0.081	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.7	166.3	-164.9	0	0	0	0	110	V23 C42 F53 W54	V23-C109 HydrophobicContact CG1-CB 3.85Å; C42-C109 HydrophobicContact CB-CB 3.56Å; C42-C109 WeakPolarHBondContact CB-SG 3.44Å; C42-C109 WeakPolarHBondContact SG-CB 3.22Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 3.33Å; F53-C109 WeakPolarHBondContact O-CA 3.36Å; W54-C109 HydrophobicContact CD2-CB 4.41Å; W54-C109 HydrophobicContact CE3-CB 4.24Å; W54-C109 HydrophobicContact CH2-CB 3.68Å; W54-C109 HydrophobicContact CZ2-CB 3.82Å; W54-C109 HydrophobicContact CZ3-CB 3.89Å
110	A	96.6	Very high	95.8	Very high	33 Å²	33	58 Å²	58	27%	0.273	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	159.5	177	0	0	0	0	0	111.5	F53	F53-A110 HydrophobicContact CB-CB 4.33Å; F53-A110 PolarHBondContact N-O 3.1Å; F53-A110 PolarHBondContact O-N 3.1Å
111	L	94.8	Very high	95.7	Very high	36 Å²	36	54.2 Å²	54.2	19%	0.188	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.1	173.1	71.5	86.3	0	0	0	110.7	D21 S22 V23 Y44 P50 T51 L52	D21-L111 HydrophobicContact CB-CD1 3.9Å; D21-L111 HydrophobicContact CB-CD2 4.42Å; S22-L111 WeakPolarHBondContact O-CD2 3.46Å; V23-L111 HydrophobicContact CG2-CB 4.37Å; V23-L111 HydrophobicContact CG2-CD2 3.62Å; V23-L111 HydrophobicContact CG2-CG 4.01Å; Y44-L111 HydrophobicContact CD2-CD2 4.43Å; Y44-L111 HydrophobicContact CG-CD2 4.44Å; P50-L111 HydrophobicContact CB-CB 4.1Å; T51-L111 WeakPolarHBondContact O-CA 3.26Å; L52-L111 HydrophobicContact CD2-CB 3.59Å
112	S	90.8	Very high	95.7	Very high	89 Å²	89	44.5 Å²	44.5	62%	0.622	28%	0.282	S	S	*	.			trans	-140.3	0	168.8	74.6	0	0	0	0	112.1	P50 T51 F53	P50-S112 CarbonylContact C-O 3.52Å; P50-S112 VanDerWaalsContact CA-O 3.25Å; P50-S112 WeakPolarHBondContact CA-O 3.23Å; T51-S112 PolarHBondContact N-O 2.94Å; T51-S112 PolarHBondContact O-N 3.19Å; F53-S112 VanDerWaalsContact CE2-OG 3.27Å; F53-S112 WeakPolarHBondContact CE2-OG 3.48Å; F53-S112 WeakPolarHBondContact CZ-OG 3.22Å

Retrieved 112 of 112 residues in 132.8 ms (Link to these results)

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