A0A075B6C1_MOUSE Loading...

T cell receptor alpha variable 7-4

AlphaFold DB , UniProt , Accession A0A075B6C1, Species MOUSE (Mus musculus, Mouse), Gene Trav7-4, Length 113 aa.

						>A0A075B6C1_MOUSE|A0A075B6C1|Trav7-4
MKSLSVSLVVLWLQLNCVRSQQKVQQSPESLSVPEGGMASLNCTSSDRNFQYFWWYRQHSGEGPKALMSIFSDGDKKEGRFTAHLNKASLHVSLHIRDSQPSDSALYFCAASE
					

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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	51.5	Low	68.7	Low	244 Å²	244	143.8 Å²	143.8	100%	1.202	81%	0.807	S	S	*	*				0	120.9	0	-70	156.5	60.1	0	0	108.2
2	K	57.3	Low	68.6	Low	211 Å²	211	150.3 Å²	150.3	92%	0.917	81%	0.81	S	S	*	*			trans	-111.4	119.6	171.8	-80.2	-178.4	174.2	176.2	0	107.6
3	S	65.9	Low	68.6	Low	121 Å²	121	150.1 Å²	150.1	85%	0.846	81%	0.807	S	S	*	*			trans	-79.3	134.9	172.3	174.2	0	0	0	0	109.1
4	L	67.3	Low	68.6	Low	159 Å²	159	150.4 Å²	150.4	83%	0.832	80%	0.801	S	S	*	*			trans	-90	115.8	167.7	-86.8	113.3	0	0	0	108.7
5	S	76.3	Confident	68.4	Low	106 Å²	106	151.1 Å²	151.1	74%	0.741	80%	0.804	S	S	*	*			trans	-81.3	121.8	168.9	-175.9	0	0	0	0	108.9
6	V	70.3	Confident	68.5	Low	124 Å²	124	149.6 Å²	149.6	75%	0.752	80%	0.796	S	S	*	*			trans	-99.7	107.6	172.4	180	0	0	0	0	107.7
7	S	75.3	Confident	68.6	Low	98 Å²	98	147.3 Å²	147.3	69%	0.685	79%	0.793	S	S	*	*			trans	-92.2	115.8	173.2	-60.7	0	0	0	0	109.2	V9	S7-V9 PolarHBondContact O-N 3.44Å
8	L	71.8	Confident	68.6	Low	156 Å²	156	146.4 Å²	146.4	82%	0.817	79%	0.793	S	S	*	*			trans	-86	98	171.8	-129.2	87.8	0	0	0	108.7	V10	L8-V10 PolarHBondContact O-N 3.4Å
9	V	76.8	Confident	68.4	Low	119 Å²	119	151.1 Å²	151.1	72%	0.721	80%	0.798	S	S	*	*			trans	-86.2	105.6	173.3	-177.7	0	0	0	0	108	S7 L11	S7-V9 PolarHBondContact O-N 3.44Å; V9-L11 HydrophobicContact CG1-CD1 4.33Å; V9-L11 PolarHBondContact O-N 3.44Å
10	V	72.6	Confident	68.4	Low	106 Å²	106	148.8 Å²	148.8	64%	0.642	80%	0.795	S	S	*	*			trans	-80.2	100.6	174.5	-178.2	0	0	0	0	108.2	L8 W12	L8-V10 PolarHBondContact O-N 3.4Å; V10-W12 PolarHBondContact O-N 3.23Å
11	L	70.8	Confident	68.6	Low	138 Å²	138	149.2 Å²	149.2	72%	0.723	79%	0.792	S	S	*	*			trans	-82.7	109.7	177.7	-144.7	82.2	0	0	0	109.1	V9 L13	V9-L11 HydrophobicContact CG1-CD1 4.33Å; V9-L11 PolarHBondContact O-N 3.44Å; L11-L13 PolarHBondContact O-N 2.95Å
12	W	67.2	Low	69.9	Low	221 Å²	221	143.8 Å²	143.8	84%	0.837	76%	0.764	S	S	*	*			trans	-72.1	94.8	175.8	-65	69.9	0	0	0	108.6	V10 Q14	V10-W12 PolarHBondContact O-N 3.23Å; W12-Q14 PolarHBondContact O-N 2.99Å
13	L	68.8	Low	71.6	Confident	148 Å²	148	137.3 Å²	137.3	78%	0.775	74%	0.736	S	S	*	*			trans	-65.3	97.6	170.3	-85.8	135.6	0	0	0	108.4	L11 L15	L11-L13 PolarHBondContact O-N 2.95Å; L13-L15 PolarHBondContact O-N 2.77Å
14	Q	68.3	Low	73	Confident	154 Å²	154	132.9 Å²	132.9	72%	0.72	70%	0.704	S	S	*	*			trans	-62.5	89.3	163.7	-64.6	-84.9	-30	0	0	106.7	W12 N16	W12-Q14 PolarHBondContact O-N 2.99Å; Q14-N16 PolarHBondContact O-N 2.83Å
15	L	65.5	Low	74.4	Confident	161 Å²	161	131.4 Å²	131.4	84%	0.843	69%	0.692	S	S	*	*			trans	-65.9	79	166.7	-88.5	150.4	0	0	0	106.8	L13 C17	L13-L15 PolarHBondContact O-N 2.77Å; L15-C17 VanDerWaalsContact C-N 3.35Å; L15-C17 PolarHBondContact O-N 3.46Å
16	N	70	Confident	75.4	Confident	128 Å²	128	129.1 Å²	129.1	68%	0.684	67%	0.67	S	S	*	*			trans	-56.1	107	166.3	-69.6	-37.6	0	0	0	105.6	Q14 V18	Q14-N16 PolarHBondContact O-N 2.83Å; N16-V18 PolarHBondContact O-N 2.8Å
17	C	70.6	Confident	76.7	Confident	110 Å²	110	126 Å²	126	74%	0.743	65%	0.654	S	S	*	*			trans	-54.3	104.9	177.1	-174.9	0	0	0	0	107.1	L15 R19	L15-C17 VanDerWaalsContact C-N 3.35Å; L15-C17 PolarHBondContact O-N 3.46Å; C17-R19 VanDerWaalsContact C-N 3.33Å; C17-R19 PolarHBondContact O-N 3.03Å
18	V	69.3	Low	77.8	Confident	132 Å²	132	124 Å²	124	80%	0.8	64%	0.638	S	S	*	*			trans	-68.3	98.3	178.3	179.9	0	0	0	0	106.1	N16 S20	N16-V18 PolarHBondContact O-N 2.8Å; V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.28Å
19	R	64.4	Low	79	Confident	235 Å²	235	126.1 Å²	126.1	89%	0.887	64%	0.644	S	S	*	*			trans	-71.1	90.5	169.5	-71.5	-175.6	179.6	-174	0.1	107.3	C17 Q21	C17-R19 VanDerWaalsContact C-N 3.33Å; C17-R19 PolarHBondContact O-N 3.03Å; R19-Q21 PolarHBondContact O-N 2.65Å
20	S	68.7	Low	80	Confident	104 Å²	104	125.3 Å²	125.3	73%	0.727	64%	0.644	S	S	*	*			trans	-65.1	120.5	166.5	-174.8	0	0	0	0	108	V18 Q22	V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.28Å; S20-Q22 PolarHBondContact O-N 2.85Å; S20-Q22 VanDerWaalsContact O-N 3.08Å
21	Q	72.6	Confident	81.2	Confident	158 Å²	158	124.1 Å²	124.1	74%	0.738	63%	0.633	S	S	*	*			trans	-77	93.8	172.2	-170.9	-178.5	58.7	0	0	107.5	R19 K23	R19-Q21 PolarHBondContact O-N 2.65Å; Q21-K23 PolarHBondContact O-N 2.89Å; Q21-K23 VanDerWaalsContact O-N 3.13Å
22	Q	79	Confident	82.5	Confident	130 Å²	130	123.3 Å²	123.3	61%	0.607	64%	0.639	S	S	*	*			trans	-64.8	113.8	176.1	-176.6	175.5	-48.5	0	0	109.2	S20 V24 Q25	S20-Q22 PolarHBondContact O-N 2.85Å; S20-Q22 VanDerWaalsContact O-N 3.08Å; Q22-V24 WeakPolarHBondContact CG-O 3.27Å; Q22-V24 PolarHBondContact NE2-O 3.32Å; Q22-Q25 VanDerWaalsContact NE2-OE1 3.12Å
23	K	91.5	Very high	84	Confident	76 Å²	76	115.1 Å²	115.1	33%	0.33	61%	0.613	S	S	.	*			trans	-87.3	-12.2	-176.7	-67.8	-178.3	173.1	-167.3	0	113.9	Q21 S45 S46 D47 F50	Q21-K23 PolarHBondContact O-N 2.89Å; Q21-K23 VanDerWaalsContact O-N 3.13Å; K23-S45 CarbonylContact O-C 3.58Å; K23-S45 VanDerWaalsContact O-CA 3.24Å; K23-S45 WeakPolarHBondContact O-CA 3.26Å; K23-S45 PolarHBondContact O-OG 2.93Å; K23-S46 PolarHBondContact O-N 2.85Å; K23-S46 PolarHBondContact O-OG 2.85Å; K23-D47 HydrophobicContact CD-CB 4.02Å; K23-D47 WeakPolarHBondContact CE-OD2 3.47Å; K23-D47 IonicContact NZ-OD2 2.65Å; K23-D47 PolarHBondContact NZ-OD2 3.17Å; K23-F50 HydrophobicContact CB-CE2 3.86Å; K23-F50 HydrophobicContact CB-CZ 4.41Å; K23-F50 HydrophobicContact CD-CE2 3.81Å; K23-F50 HydrophobicContact CD-CZ 3.55Å
24	V	95.5	Very high	85.4	Confident	28 Å²	28	112.9 Å²	112.9	17%	0.17	61%	0.608	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.2	135.6	178.5	-65.5	0	0	0	0	110.5	Q22 T44 A111	Q22-V24 WeakPolarHBondContact CG-O 3.27Å; Q22-V24 PolarHBondContact NE2-O 3.32Å; V24-T44 CarbonylContact C-O 3.54Å; V24-T44 VanDerWaalsContact CA-O 3.32Å; V24-T44 WeakPolarHBondContact CA-O 3.42Å; V24-A111 HydrophobicContact CG1-CB 3.73Å
25	Q	96.7	Very high	86.8	Confident	127 Å²	127	112.7 Å²	112.7	59%	0.593	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.1	126.1	177.8	-176.9	65.9	-10.4	0	0	110	Q22 C43 T44	Q22-Q25 VanDerWaalsContact NE2-OE1 3.12Å; Q25-C43 CarbonylContact O-C 3.52Å; Q25-C43 VanDerWaalsContact O-CA 3.26Å; Q25-C43 WeakPolarHBondContact O-CA 3.42Å; Q25-T44 PolarHBondContact N-O 3.28Å; Q25-T44 PolarHBondContact O-N 3.06Å
26	Q	97.7	Very high	88.4	Confident	58 Å²	58	107 Å²	107	27%	0.271	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	148.2	-179.3	-77.7	178.6	-129.8	0	0	112.4	N42 C43 Y107 C109	Q26-N42 CarbonylContact C-O 3.43Å; Q26-N42 VanDerWaalsContact CA-O 3.23Å; Q26-N42 WeakPolarHBondContact CA-O 3.31Å; Q26-C43 HydrophobicContact CG-CB 4.1Å; Q26-Y107 PolarHBondContact NE2-O 3.25Å; Q26-Y107 VanDerWaalsContact NE2-O 3.1Å; Q26-C109 HydrophobicContact CG-CB 3.82Å
27	S	98.3	Very high	89.7	Confident	60 Å²	60	101.8 Å²	101.8	42%	0.42	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.9	151	171.4	65.3	0	0	0	0	112.5	N42	S27-N42 PolarHBondContact N-O 3.02Å; S27-N42 WeakPolarHBondContact O-CB 3.23Å; S27-N42 PolarHBondContact O-N 3.42Å
28	P	98.2	Very high	91.1	Very high	54 Å²	54	102 Å²	102	35%	0.351	56%	0.555	S	S	.	*			cis	-69.7	166.3	-13.5	34.1	-37.6	0	0	0	111.9	S30 L31	P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 WeakPolarHBondContact CG-O 3.45Å; P28-S30 PolarHBondContact O-N 2.89Å; P28-L31 HydrophobicContact CG-CB 3.97Å; P28-L31 HydrophobicContact CG-CD1 4.3Å
29	E	97.1	Very high	92.4	Very high	201 Å²	201	96.3 Å²	96.3	94%	0.939	52%	0.522	S	S	*	.	S	Bend	trans	-66.9	-31.4	175.5	-67.8	178.5	-173.7	0	0	112.4
30	S	97.8	Very high	94.1	Very high	102 Å²	102	87.1 Å²	87.1	71%	0.713	49%	0.493	S	S	*	.	S	Bend	trans	-144.2	145.2	175.4	64.1	0	0	0	0	109.6	P28	P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 WeakPolarHBondContact CG-O 3.45Å; P28-S30 PolarHBondContact O-N 2.89Å
31	L	97.8	Very high	95.5	Very high	81 Å²	81	83.2 Å²	83.2	42%	0.424	46%	0.464	S	S	.	.			trans	-137.1	136.1	178.6	-177.9	64.5	0	0	0	109.6	P28 V33 A39 L41	P28-L31 HydrophobicContact CG-CB 3.97Å; P28-L31 HydrophobicContact CG-CD1 4.3Å; L31-V33 HydrophobicContact CD1-CG2 4.14Å; L31-V33 HydrophobicContact CD2-CG2 3.77Å; L31-V33 HydrophobicContact CG-CG2 3.65Å; L31-A39 HydrophobicContact CD2-CB 3.8Å; L31-L41 HydrophobicContact CD2-CD2 4.44Å
32	S	98.1	Very high	96.7	Very high	121 Å²	121	77.8 Å²	77.8	85%	0.846	44%	0.44	S	S	*	.			trans	-121.1	128.5	170.4	-58.8	0	0	0	0	108.7
33	V	97.9	Very high	97.7	Very high	49 Å²	49	71.7 Å²	71.7	30%	0.297	41%	0.412	S	S	.	.			trans	-132.7	138.1	-176.2	-173.4	0	0	0	0	108	L31 A39	L31-V33 HydrophobicContact CD1-CG2 4.14Å; L31-V33 HydrophobicContact CD2-CG2 3.77Å; L31-V33 HydrophobicContact CG-CG2 3.65Å; V33-A39 HydrophobicContact CG2-CB 3.83Å
34	P	98.1	Very high	97.9	Very high	101 Å²	101	70.6 Å²	70.6	66%	0.656	41%	0.412	S	S	*	.			trans	-63.1	154.4	172.3	27.5	-35.2	0	0	0	111.2	G37	P34-G37 WeakPolarHBondContact O-CA 3.39Å; P34-G37 PolarHBondContact O-N 2.95Å
35	E	98.2	Very high	97.9	Very high	151 Å²	151	69.5 Å²	69.5	71%	0.706	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	140	170.6	-173.4	173	-179	0	0	110.8	G37 S99	E35-G37 PolarHBondContact O-N 2.99Å; E35-S99 CarbonylContact C-O 3.53Å; E35-S99 WeakPolarHBondContact CA-O 3.35Å
36	G	98.4	Very high	97.8	Very high	42 Å²	42	67.8 Å²	67.8	43%	0.433	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-10	-171.6	0	0	0	0	0	114.4	S99	G36-S99 PolarHBondContact N-O 2.96Å
37	G	98.5	Very high	97.6	Very high	18 Å²	18	66.1 Å²	66.1	19%	0.186	40%	0.4	C	S	.	.			trans	-72.7	178.2	178.6	0	0	0	0	0	113.9	P34 E35 D98 S99	P34-G37 WeakPolarHBondContact O-CA 3.39Å; P34-G37 PolarHBondContact O-N 2.95Å; E35-G37 PolarHBondContact O-N 2.99Å; G37-D98 PolarHBondContact O-N 3.1Å; G37-S99 WeakPolarHBondContact O-CB 3.21Å; G37-S99 PolarHBondContact O-N 2.97Å; G37-S99 PolarHBondContact O-OG 2.77Å
38	M	98.3	Very high	97.4	Very high	115 Å²	115	72.7 Å²	72.7	57%	0.567	42%	0.416	S	S	*	.			trans	-108.5	121.9	178	-169.7	179.8	-56.6	0	0	110.7	I96 R97	M38-I96 WeakPolarHBondContact CA-O 3.43Å; M38-R97 HydrophobicContact CE-CG 4.23Å
39	A	98.5	Very high	97.1	Very high	11 Å²	11	75 Å²	75	9%	0.091	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.9	171.1	0	0	0	0	0	110.6	L31 V33 H95 I96	L31-A39 HydrophobicContact CD2-CB 3.8Å; V33-A39 HydrophobicContact CG2-CB 3.83Å; A39-H95 CarbonylContact O-C 3.58Å; A39-H95 VanDerWaalsContact O-CA 3.31Å; A39-H95 WeakPolarHBondContact O-CA 3.24Å; A39-I96 HydrophobicContact CB-CB 4.13Å; A39-I96 HydrophobicContact CB-CD1 4.41Å; A39-I96 HydrophobicContact CB-CG1 4.4Å; A39-I96 PolarHBondContact N-O 2.95Å; A39-I96 PolarHBondContact O-N 2.85Å
40	S	98.6	Very high	96.9	Very high	42 Å²	42	66.5 Å²	66.5	29%	0.294	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.9	178	-55.2	0	0	0	0	109.9	L94 H95	S40-L94 WeakPolarHBondContact CA-O 3.36Å; S40-H95 PolarHBondContact OG-CD2 2.82Å
41	L	98.7	Very high	96.5	Very high	22 Å²	22	65.6 Å²	65.6	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.2	174.8	-61.7	170.2	0	0	0	108.7	L31 W55 S93 L94 Y107	L31-L41 HydrophobicContact CD2-CD2 4.44Å; L41-W55 HydrophobicContact CB-CH2 3.7Å; L41-W55 HydrophobicContact CB-CZ2 4.43Å; L41-W55 HydrophobicContact CB-CZ3 3.98Å; L41-W55 HydrophobicContact CD1-CZ3 4.31Å; L41-S93 CarbonylContact O-C 3.53Å; L41-S93 WeakPolarHBondContact O-CA 3.35Å; L41-S93 WeakPolarHBondContact O-CB 3.33Å; L41-L94 HydrophobicContact CB-CB 4.39Å; L41-L94 HydrophobicContact CD1-CD2 4.33Å; L41-L94 PolarHBondContact N-O 2.89Å; L41-L94 PolarHBondContact O-N 3.01Å; L41-Y107 VanDerWaalsContact CD1-CB 3.47Å; L41-Y107 HydrophobicContact CD1-CD1 3.99Å; L41-Y107 HydrophobicContact CD1-CD2 4.15Å; L41-Y107 HydrophobicContact CD1-CG 3.62Å
42	N	98.6	Very high	96.5	Very high	45 Å²	45	66.9 Å²	66.9	24%	0.241	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.2	-177.3	-61	-67.5	0	0	0	110.2	Q26 S27 H91	Q26-N42 CarbonylContact C-O 3.43Å; Q26-N42 VanDerWaalsContact CA-O 3.23Å; Q26-N42 WeakPolarHBondContact CA-O 3.31Å; S27-N42 PolarHBondContact N-O 3.02Å; S27-N42 WeakPolarHBondContact O-CB 3.23Å; S27-N42 PolarHBondContact O-N 3.42Å; N42-H91 PolarHBondContact OD1-NE2 3.05Å
43	C	98.2	Very high	96.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	131.7	175.1	174.2	0	0	0	0	109.5	Q25 Q26 W55 H91 V92 C109	Q25-C43 CarbonylContact O-C 3.52Å; Q25-C43 VanDerWaalsContact O-CA 3.26Å; Q25-C43 WeakPolarHBondContact O-CA 3.42Å; Q26-C43 HydrophobicContact CG-CB 4.1Å; C43-W55 HydrophobicContact CB-CH2 3.87Å; C43-W55 HydrophobicContact CB-CZ2 3.79Å; C43-H91 CarbonylContact O-C 3.55Å; C43-H91 WeakPolarHBondContact O-CA 3.29Å; C43-V92 HydrophobicContact CB-CG1 3.61Å; C43-V92 PolarHBondContact N-O 2.91Å; C43-V92 PolarHBondContact O-N 2.84Å; C43-V92 VanDerWaalsContact O-O 3.08Å; C43-C109 HydrophobicContact CB-CB 3.37Å; C43-C109 WeakPolarHBondContact CB-SG 3.38Å; C43-C109 WeakPolarHBondContact SG-CB 3.49Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 3.02Å
44	T	97.3	Very high	96.5	Very high	54 Å²	54	62.8 Å²	62.8	33%	0.331	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.7	175.6	-66.4	0	0	0	0	109.8	V24 Q25 L90 H91	V24-T44 CarbonylContact C-O 3.54Å; V24-T44 VanDerWaalsContact CA-O 3.32Å; V24-T44 WeakPolarHBondContact CA-O 3.42Å; Q25-T44 PolarHBondContact N-O 3.28Å; Q25-T44 PolarHBondContact O-N 3.06Å; T44-L90 WeakPolarHBondContact CA-O 3.35Å; T44-H91 PolarHBondContact OG1-ND1 3.45Å
45	S	95.9	Very high	96.5	Very high	5 Å²	5	58 Å²	58	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.8	171.3	175.9	0	0	0	0	111.3	K23 D47 F50 L90	K23-S45 CarbonylContact O-C 3.58Å; K23-S45 VanDerWaalsContact O-CA 3.24Å; K23-S45 WeakPolarHBondContact O-CA 3.26Å; K23-S45 PolarHBondContact O-OG 2.93Å; S45-D47 PolarHBondContact OG-N 2.87Å; S45-D47 PolarHBondContact OG-O 2.89Å; S45-D47 VanDerWaalsContact OG-O 3.12Å; S45-F50 VanDerWaalsContact OG-CD2 3.24Å; S45-F50 WeakPolarHBondContact OG-CD2 3.46Å; S45-L90 PolarHBondContact N-O 2.9Å; S45-L90 WeakPolarHBondContact O-CD1 3.36Å
46	S	94.5	Very high	96.5	Very high	90 Å²	90	54.3 Å²	54.3	63%	0.629	28%	0.279	S	S	*	.	S	Bend	trans	-87.7	-12	167.3	64.1	0	0	0	0	113.2	K23	K23-S46 PolarHBondContact O-N 2.85Å; K23-S46 PolarHBondContact O-OG 2.85Å
47	D	93.4	Very high	96.5	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.128	27%	0.271	C	S	.	.			trans	-101.1	115.4	-176.9	-167	-22	0	0	0	111.3	K23 S45 N49 F50 L90	K23-D47 HydrophobicContact CD-CB 4.02Å; K23-D47 WeakPolarHBondContact CE-OD2 3.47Å; K23-D47 IonicContact NZ-OD2 2.65Å; K23-D47 PolarHBondContact NZ-OD2 3.17Å; S45-D47 PolarHBondContact OG-N 2.87Å; S45-D47 PolarHBondContact OG-O 2.89Å; S45-D47 VanDerWaalsContact OG-O 3.12Å; D47-N49 VanDerWaalsContact C-N 3.26Å; D47-N49 PolarHBondContact O-N 3.29Å; D47-N49 WeakPolarHBondContact OD1-CB 3.49Å; D47-N49 PolarHBondContact OD1-N 3.48Å; D47-F50 HydrophobicContact CB-CD2 3.76Å; D47-F50 HydrophobicContact CB-CE1 4.46Å; D47-F50 HydrophobicContact CB-CE2 3.68Å; D47-F50 HydrophobicContact CB-CG 4.2Å; D47-F50 HydrophobicContact CB-CZ 4.07Å; D47-F50 PolarHBondContact O-N 3.08Å; D47-L90 WeakPolarHBondContact O-CD1 3.19Å
48	R	92.3	Very high	96.5	Very high	197 Å²	197	57 Å²	57	74%	0.743	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13	-179.6	-71.9	179.1	175.4	-112.2	-2.1	114.1	F50 L90	R48-F50 VanDerWaalsContact C-N 3.26Å; R48-L90 HydrophobicContact CB-CD1 4.38Å; R48-L90 HydrophobicContact CG-CD1 3.87Å
49	N	92.5	Very high	96.5	Very high	103 Å²	103	53.9 Å²	53.9	55%	0.551	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-21.8	176.2	-64.7	-21.8	0	0	0	111.7	D47 Q51 E113	D47-N49 VanDerWaalsContact C-N 3.26Å; D47-N49 PolarHBondContact O-N 3.29Å; D47-N49 WeakPolarHBondContact OD1-CB 3.49Å; D47-N49 PolarHBondContact OD1-N 3.48Å; N49-Q51 PolarHBondContact O-N 3.3Å; N49-E113 HydrophobicContact CB-CG 4.11Å
50	F	92.4	Very high	96.3	Very high	23 Å²	23	59.2 Å²	59.2	10%	0.101	29%	0.294	C	S	.	.			trans	-71.1	120.3	-178.7	-62	-22	0	0	0	112.5	K23 S45 D47 R48 A111 S112 E113	K23-F50 HydrophobicContact CB-CE2 3.86Å; K23-F50 HydrophobicContact CB-CZ 4.41Å; K23-F50 HydrophobicContact CD-CE2 3.81Å; K23-F50 HydrophobicContact CD-CZ 3.55Å; S45-F50 VanDerWaalsContact OG-CD2 3.24Å; S45-F50 WeakPolarHBondContact OG-CD2 3.46Å; D47-F50 HydrophobicContact CB-CD2 3.76Å; D47-F50 HydrophobicContact CB-CE1 4.46Å; D47-F50 HydrophobicContact CB-CE2 3.68Å; D47-F50 HydrophobicContact CB-CG 4.2Å; D47-F50 HydrophobicContact CB-CZ 4.07Å; D47-F50 PolarHBondContact O-N 3.08Å; R48-F50 VanDerWaalsContact C-N 3.26Å; F50-A111 HydrophobicContact CB-CB 3.95Å; F50-A111 HydrophobicContact CD2-CB 3.35Å; F50-A111 HydrophobicContact CE2-CB 4.04Å; F50-A111 HydrophobicContact CG-CB 3.89Å; F50-S112 CarbonylContact C-O 3.51Å; F50-S112 WeakPolarHBondContact CA-O 3.15Å; F50-S112 WeakPolarHBondContact CB-O 3.38Å; F50-S112 VanDerWaalsContact CD1-C 3.47Å; F50-E113 HydrophobicContact CD1-CG 3.86Å; F50-E113 HydrophobicContact CE1-CG 4.1Å
51	Q	91.1	Very high	96.2	Very high	82 Å²	82	61.6 Å²	61.6	38%	0.383	33%	0.325	S	S	.	.			trans	-105.3	-22.8	177.6	-59.3	-57.9	-42.4	0	0	113.4	N49 F71 S112 E113	N49-Q51 PolarHBondContact O-N 3.3Å; Q51-F71 WeakPolarHBondContact O-CA 2.94Å; Q51-S112 PolarHBondContact N-O 2.71Å; Q51-E113 WeakPolarHBondContact CB-OXT 3.49Å; Q51-E113 WeakPolarHBondContact CG-OXT 3.44Å
52	Y	96.2	Very high	96.1	Very high	108 Å²	108	64.7 Å²	64.7	42%	0.424	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.2	-175.6	-58.5	-95.1	0	0	0	110.3	F71 A111 S112 E113	Y52-F71 HydrophobicContact CD1-CB 3.68Å; Y52-F71 HydrophobicContact CD1-CD1 4.43Å; Y52-F71 HydrophobicContact CD1-CG 4.26Å; Y52-F71 HydrophobicContact CE1-CB 3.98Å; Y52-F71 HydrophobicContact CE1-CD1 4.45Å; Y52-F71 HydrophobicContact CE1-CG 4.19Å; Y52-F71 HydrophobicContact CG-CB 4.36Å; Y52-A111 CarbonylContact O-C 3.57Å; Y52-A111 VanDerWaalsContact O-CA 3.27Å; Y52-A111 WeakPolarHBondContact O-CA 3.39Å; Y52-S112 PolarHBondContact N-O 2.76Å; Y52-S112 PolarHBondContact O-N 2.83Å; Y52-E113 WeakPolarHBondContact CD2-O 3.41Å; Y52-E113 WeakPolarHBondContact CD2-OXT 3.39Å; Y52-E113 WeakPolarHBondContact CE2-OXT 2.81Å
53	F	97.9	Very high	96	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.009	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142	175.9	-67.3	-94.5	0	0	0	110.2	S69 I70 L85 L90 V92 A110 A111	F53-S69 CarbonylContact O-C 3.5Å; F53-S69 VanDerWaalsContact O-CA 3.29Å; F53-S69 WeakPolarHBondContact O-CA 3.37Å; F53-I70 HydrophobicContact CB-CG2 3.96Å; F53-I70 PolarHBondContact N-O 2.78Å; F53-I70 PolarHBondContact O-N 2.92Å; F53-L85 HydrophobicContact CD2-CD1 3.61Å; F53-L85 HydrophobicContact CD2-CD2 3.92Å; F53-L85 HydrophobicContact CD2-CG 4.43Å; F53-L85 HydrophobicContact CE2-CD1 3.6Å; F53-L85 HydrophobicContact CE2-CD2 4.28Å; F53-L85 HydrophobicContact CG-CD1 4.27Å; F53-L85 HydrophobicContact CZ-CD1 4.23Å; F53-L90 HydrophobicContact CZ-CB 4.22Å; F53-L90 HydrophobicContact CZ-CD2 4.34Å; F53-V92 HydrophobicContact CB-CB 4.2Å; F53-V92 HydrophobicContact CB-CG1 4.07Å; F53-V92 HydrophobicContact CB-CG2 4.14Å; F53-V92 HydrophobicContact CD1-CB 4.05Å; F53-V92 HydrophobicContact CD1-CG1 3.57Å; F53-V92 HydrophobicContact CE1-CG1 4.32Å; F53-V92 HydrophobicContact CG-CB 4.14Å; F53-V92 HydrophobicContact CG-CG1 4.04Å; F53-A110 WeakPolarHBondContact CA-O 3.43Å; F53-A111 HydrophobicContact CD1-CB 3.79Å; F53-A111 HydrophobicContact CE1-CB 3.73Å; F53-A111 HydrophobicContact CZ-CB 4.43Å
54	W	98	Very high	96	Very high	82 Å²	82	68.1 Å²	68.1	31%	0.311	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137.1	-175.7	-60.8	82.5	0	0	0	109.7	Y56 M68 S69 C109 A110	W54-Y56 HydrophobicContact CB-CD2 4.19Å; W54-Y56 HydrophobicContact CB-CE2 3.51Å; W54-Y56 HydrophobicContact CG-CE2 4.34Å; W54-M68 CarbonylContact C-O 3.54Å; W54-M68 WeakPolarHBondContact CA-O 3.46Å; W54-S69 VanDerWaalsContact CE3-CB 3.48Å; W54-C109 CarbonylContact O-C 3.56Å; W54-C109 VanDerWaalsContact O-CA 3.27Å; W54-C109 WeakPolarHBondContact O-CA 3.45Å; W54-A110 HydrophobicContact CB-CB 4.36Å; W54-A110 PolarHBondContact N-O 2.79Å; W54-A110 PolarHBondContact O-N 3.44Å
55	W	98.5	Very high	96	Very high	1 Å²	1	71.4 Å²	71.4	0%	0.004	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	164.2	-74.4	100.4	0	0	0	108.7	L41 C43 L67 M68 V92 L94 F108 C109	L41-W55 HydrophobicContact CB-CH2 3.7Å; L41-W55 HydrophobicContact CB-CZ2 4.43Å; L41-W55 HydrophobicContact CB-CZ3 3.98Å; L41-W55 HydrophobicContact CD1-CZ3 4.31Å; C43-W55 HydrophobicContact CB-CH2 3.87Å; C43-W55 HydrophobicContact CB-CZ2 3.79Å; W55-L67 WeakPolarHBondContact O-CA 3.41Å; W55-L67 WeakPolarHBondContact O-CB 3.33Å; W55-L67 PolarHBondContact O-N 2.83Å; W55-M68 PolarHBondContact N-O 3.18Å; W55-M68 PolarHBondContact O-N 3Å; W55-V92 HydrophobicContact CZ2-CG1 4.33Å; W55-L94 HydrophobicContact CB-CD2 4.17Å; W55-L94 HydrophobicContact CD2-CB 3.7Å; W55-L94 HydrophobicContact CD2-CD2 3.98Å; W55-L94 HydrophobicContact CD2-CG 4.39Å; W55-L94 VanDerWaalsContact CE2-CB 3.49Å; W55-L94 HydrophobicContact CE3-CB 4.26Å; W55-L94 HydrophobicContact CE3-CD2 4.11Å; W55-L94 HydrophobicContact CG-CB 3.99Å; W55-L94 HydrophobicContact CG-CD1 4.37Å; W55-L94 HydrophobicContact CG-CD2 4.01Å; W55-L94 HydrophobicContact CG-CG 4.36Å; W55-L94 HydrophobicContact CH2-CB 4.41Å; W55-L94 HydrophobicContact CZ2-CB 3.88Å; W55-F108 CarbonylContact C-O 3.56Å; W55-F108 WeakPolarHBondContact CA-O 3.5Å; W55-C109 HydrophobicContact CD2-CB 4.45Å; W55-C109 HydrophobicContact CE3-CB 4.13Å; W55-C109 HydrophobicContact CH2-CB 4Å; W55-C109 HydrophobicContact CZ2-CB 4.31Å; W55-C109 HydrophobicContact CZ3-CB 3.89Å
56	Y	98.5	Very high	96.1	Very high	73 Å²	73	74.3 Å²	74.3	29%	0.286	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148	173.6	-65.6	-98.7	0	0	0	109.4	W54 P64 K65 A66 Y107 F108 A110	W54-Y56 HydrophobicContact CB-CD2 4.19Å; W54-Y56 HydrophobicContact CB-CE2 3.51Å; W54-Y56 HydrophobicContact CG-CE2 4.34Å; Y56-P64 HydrophobicContact CD1-CB 4.4Å; Y56-K65 CarbonylContact C-O 3.54Å; Y56-K65 VanDerWaalsContact CA-O 3.23Å; Y56-K65 WeakPolarHBondContact CA-O 3.27Å; Y56-A66 HydrophobicContact CD1-CB 4.28Å; Y56-A66 HydrophobicContact CE1-CB 4.04Å; Y56-Y107 VanDerWaalsContact O-CA 3.31Å; Y56-Y107 WeakPolarHBondContact O-CA 3.36Å; Y56-F108 PolarHBondContact N-O 3.43Å; Y56-F108 PolarHBondContact O-N 3.1Å; Y56-A110 HydrophobicContact CD2-CB 4.49Å; Y56-A110 HydrophobicContact CE2-CB 3.93Å
57	R	98.3	Very high	96.3	Very high	67 Å²	67	71.5 Å²	71.5	25%	0.253	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.4	172	-175.2	177.1	63.2	-175.9	-2.3	109.3	H59 K65 L67 A105 L106 Y107	R57-H59 PolarHBondContact NE-CE1 2.82Å; R57-H59 VanDerWaalsContact NE-CE1 3.28Å; R57-K65 PolarHBondContact N-O 3.13Å; R57-K65 PolarHBondContact O-N 2.75Å; R57-L67 HydrophobicContact CB-CB 4.3Å; R57-L67 HydrophobicContact CB-CD2 4.4Å; R57-A105 HydrophobicContact CG-CB 3.53Å; R57-L106 CarbonylContact C-O 3.59Å; R57-L106 WeakPolarHBondContact CA-O 3.23Å; R57-Y107 HydrophobicContact CB-CD1 4.41Å; R57-Y107 HydrophobicContact CB-CE1 4.17Å; R57-Y107 WeakPolarHBondContact CD-OH 3.45Å; R57-Y107 HydrophobicContact CG-CE1 4.04Å; R57-Y107 HydrophobicContact CG-CE2 4.34Å
58	Q	98.4	Very high	96.5	Very high	49 Å²	49	70.6 Å²	70.6	23%	0.229	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	109	176.5	-176	-179.5	23.8	0	0	109.6	E62 P64 A105 L106 F108	Q58-E62 VanDerWaalsContact CG-O 3.26Å; Q58-E62 WeakPolarHBondContact CG-O 3.4Å; Q58-E62 PolarHBondContact NE2-O 2.77Å; Q58-P64 HydrophobicContact CB-CB 4.44Å; Q58-P64 HydrophobicContact CB-CG 4.41Å; Q58-P64 HydrophobicContact CG-CG 4.41Å; Q58-A105 WeakPolarHBondContact O-CB 3.38Å; Q58-L106 HydrophobicContact CB-CB 4.27Å; Q58-L106 PolarHBondContact N-O 2.96Å; Q58-L106 PolarHBondContact O-N 3.37Å; Q58-F108 HydrophobicContact CB-CE2 3.87Å; Q58-F108 VanDerWaalsContact OE1-CE2 3.27Å
59	H	97.8	Very high	96.7	Very high	50 Å²	50	62.8 Å²	62.8	23%	0.231	35%	0.354	C	S	.	.			trans	-73.9	153.7	168.9	-69.1	104.9	0	0	0	110.7	R57 G61 E62 S102	R57-H59 PolarHBondContact NE-CE1 2.82Å; R57-H59 VanDerWaalsContact NE-CE1 3.28Å; H59-G61 PolarHBondContact O-N 2.95Å; H59-E62 HydrophobicContact CB-CG 4.46Å; H59-E62 PolarHBondContact O-N 3.38Å; H59-S102 PolarHBondContact NE2-O 2.91Å
60	S	95.4	Very high	97	Very high	123 Å²	123	58.2 Å²	58.2	86%	0.86	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	126.6	-180	-61.3	0	0	0	0	111.6	E62	S60-E62 VanDerWaalsContact C-N 3.28Å; S60-E62 PolarHBondContact O-N 2.86Å
61	G	96.4	Very high	97.2	Very high	93 Å²	93	62.1 Å²	62.1	96%	0.959	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-2.9	-179.7	0	0	0	0	0	115.1	H59	H59-G61 PolarHBondContact O-N 2.95Å
62	E	95.8	Very high	97.5	Very high	86 Å²	86	61.3 Å²	61.3	40%	0.402	35%	0.35	S	S	.	.	S	Bend	trans	-106.5	167.4	176.3	-61.4	-171.5	-154.9	0	0	112.1	Q58 H59 S60 K65	Q58-E62 VanDerWaalsContact CG-O 3.26Å; Q58-E62 WeakPolarHBondContact CG-O 3.4Å; Q58-E62 PolarHBondContact NE2-O 2.77Å; H59-E62 HydrophobicContact CB-CG 4.46Å; H59-E62 PolarHBondContact O-N 3.38Å; S60-E62 VanDerWaalsContact C-N 3.28Å; S60-E62 PolarHBondContact O-N 2.86Å; E62-K65 WeakPolarHBondContact OE2-CE 3.44Å; E62-K65 IonicContact OE2-NZ 3.22Å; E62-K65 PolarHBondContact OE2-NZ 2.81Å
63	G	96.8	Very high	97.6	Very high	44 Å²	44	61.1 Å²	61.1	45%	0.454	36%	0.356	S	S	.	.			trans	-81.5	160	168.6	0	0	0	0	0	112.3	K65	G63-K65 PolarHBondContact O-N 2.83Å
64	P	97.8	Very high	97.6	Very high	75 Å²	75	62 Å²	62	49%	0.487	37%	0.366	S	S	.	.			trans	-60.2	132.1	174.2	-21	32.7	0	0	0	111.9	Y56 Q58	Y56-P64 HydrophobicContact CD1-CB 4.4Å; Q58-P64 HydrophobicContact CB-CB 4.44Å; Q58-P64 HydrophobicContact CB-CG 4.41Å; Q58-P64 HydrophobicContact CG-CG 4.41Å
65	K	98.2	Very high	97.6	Very high	123 Å²	123	62.6 Å²	62.6	54%	0.535	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.8	175.6	-69.8	172.1	179.1	165.8	0	109.8	Y56 R57 E62 G63 L67	Y56-K65 CarbonylContact C-O 3.54Å; Y56-K65 VanDerWaalsContact CA-O 3.23Å; Y56-K65 WeakPolarHBondContact CA-O 3.27Å; R57-K65 PolarHBondContact N-O 3.13Å; R57-K65 PolarHBondContact O-N 2.75Å; E62-K65 WeakPolarHBondContact OE2-CE 3.44Å; E62-K65 IonicContact OE2-NZ 3.22Å; E62-K65 PolarHBondContact OE2-NZ 2.81Å; G63-K65 PolarHBondContact O-N 2.83Å; K65-L67 PolarHBondContact O-N 2.73Å
66	A	97.8	Very high	97.6	Very high	65 Å²	65	66.1 Å²	66.1	54%	0.537	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	127.5	174.8	0	0	0	0	0	109.5	Y56	Y56-A66 HydrophobicContact CD1-CB 4.28Å; Y56-A66 HydrophobicContact CE1-CB 4.04Å
67	L	98.1	Very high	97.6	Very high	31 Å²	31	69.5 Å²	69.5	16%	0.162	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-52.7	178.4	174.9	65.4	0	0	0	110.3	W55 R57 K65 F81 L94 Y107	W55-L67 WeakPolarHBondContact O-CA 3.41Å; W55-L67 WeakPolarHBondContact O-CB 3.33Å; W55-L67 PolarHBondContact O-N 2.83Å; R57-L67 HydrophobicContact CB-CB 4.3Å; R57-L67 HydrophobicContact CB-CD2 4.4Å; K65-L67 PolarHBondContact O-N 2.73Å; L67-F81 HydrophobicContact CD1-CD1 4.23Å; L67-F81 HydrophobicContact CD1-CD2 4.44Å; L67-F81 HydrophobicContact CD1-CE1 4.14Å; L67-F81 HydrophobicContact CD1-CE2 4.37Å; L67-F81 HydrophobicContact CD1-CG 4.4Å; L67-F81 HydrophobicContact CD1-CZ 4.24Å; L67-F81 HydrophobicContact CD2-CD1 3.88Å; L67-F81 HydrophobicContact CD2-CE1 3.96Å; L67-F81 HydrophobicContact CG-CD1 4.41Å; L67-L94 HydrophobicContact CD2-CD1 4.46Å; L67-L94 HydrophobicContact CD2-CD2 3.75Å; L67-Y107 HydrophobicContact CD2-CD1 4.08Å; L67-Y107 HydrophobicContact CD2-CE1 3.61Å
68	M	97.7	Very high	97.6	Very high	6 Å²	6	71.7 Å²	71.7	3%	0.03	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.8	179.3	-72	-174.5	83.2	0	0	110.7	W54 W55 K76 E78 F81 A83 L94	W54-M68 CarbonylContact C-O 3.54Å; W54-M68 WeakPolarHBondContact CA-O 3.46Å; W55-M68 PolarHBondContact N-O 3.18Å; W55-M68 PolarHBondContact O-N 3Å; M68-K76 HydrophobicContact CE-CB 4.37Å; M68-K76 HydrophobicContact CE-CD 4.36Å; M68-K76 HydrophobicContact CE-CG 4.1Å; M68-K76 VanDerWaalsContact CE-O 3.26Å; M68-K76 WeakPolarHBondContact CE-O 3.23Å; M68-E78 HydrophobicContact CE-CB 4.01Å; M68-F81 HydrophobicContact SD-CB 3.48Å; M68-F81 WeakPolarHBondContact SD-CB 3.36Å; M68-A83 HydrophobicContact CE-CB 3.99Å; M68-A83 HydrophobicContact SD-CB 4.19Å; M68-L94 HydrophobicContact SD-CD1 3.9Å
69	S	97.5	Very high	97.5	Very high	32 Å²	32	72.5 Å²	72.5	22%	0.224	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.2	168.4	64	0	0	0	0	110.5	F53 W54 K76	F53-S69 CarbonylContact O-C 3.5Å; F53-S69 VanDerWaalsContact O-CA 3.29Å; F53-S69 WeakPolarHBondContact O-CA 3.37Å; W54-S69 VanDerWaalsContact CE3-CB 3.48Å; S69-K76 WeakPolarHBondContact O-CD 3.26Å; S69-K76 WeakPolarHBondContact O-CE 3.46Å; S69-K76 PolarHBondContact O-NZ 3.17Å
70	I	98.3	Very high	97.5	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.036	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137.4	177.2	-169.9	166.6	0	0	0	110.2	F53 G74 K76 A83 L85 V92	F53-I70 HydrophobicContact CB-CG2 3.96Å; F53-I70 PolarHBondContact N-O 2.78Å; F53-I70 PolarHBondContact O-N 2.92Å; I70-G74 WeakPolarHBondContact CD1-O 3.43Å; I70-K76 HydrophobicContact CD1-CB 3.89Å; I70-K76 HydrophobicContact CG1-CB 4.29Å; I70-A83 HydrophobicContact CB-CB 4.27Å; I70-A83 HydrophobicContact CD1-CB 4.18Å; I70-A83 WeakPolarHBondContact CD1-O 2.93Å; I70-A83 HydrophobicContact CG2-CB 4.12Å; I70-L85 HydrophobicContact CD1-CB 3.76Å; I70-L85 HydrophobicContact CG1-CB 4.01Å; I70-L85 HydrophobicContact CG1-CD2 4.44Å; I70-L85 HydrophobicContact CG2-CB 4.12Å; I70-V92 HydrophobicContact CG2-CG2 3.7Å
71	F	96.7	Very high	97.7	Very high	106 Å²	106	67.6 Å²	67.6	47%	0.465	40%	0.403	S	S	.	.			trans	-138.7	-10.6	179.3	63.7	-91.7	0	0	0	112.5	Q51 Y52 K87	Q51-F71 WeakPolarHBondContact O-CA 2.94Å; Y52-F71 HydrophobicContact CD1-CB 3.68Å; Y52-F71 HydrophobicContact CD1-CD1 4.43Å; Y52-F71 HydrophobicContact CD1-CG 4.26Å; Y52-F71 HydrophobicContact CE1-CB 3.98Å; Y52-F71 HydrophobicContact CE1-CD1 4.45Å; Y52-F71 HydrophobicContact CE1-CG 4.19Å; Y52-F71 HydrophobicContact CG-CB 4.36Å; F71-K87 WeakPolarHBondContact O-CE 3.27Å; F71-K87 PolarHBondContact O-NZ 2.79Å
72	S	97.3	Very high	97.8	Very high	64 Å²	64	63.7 Å²	63.7	45%	0.448	36%	0.361	S	S	.	.	S	Bend	trans	-96.5	144.2	174.3	-64.8	0	0	0	0	109.4
73	D	97.7	Very high	97.9	Very high	104 Å²	104	59.6 Å²	59.6	56%	0.556	34%	0.341	S	S	*	.	S	Bend	trans	-63.1	143.5	174.1	-161.4	54.7	0	0	0	110.4	N86 K87	D73-N86 WeakPolarHBondContact OD1-CA 3.43Å; D73-K87 HydrophobicContact CB-CD 4.23Å; D73-K87 HydrophobicContact CB-CG 4.01Å; D73-K87 PolarHBondContact OD1-N 2.02Å
74	G	98.3	Very high	98	Very high	21 Å²	21	60.4 Å²	60.4	22%	0.216	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-149.6	-176.4	0	0	0	0	0	114	I70 H84 L85	I70-G74 WeakPolarHBondContact CD1-O 3.43Å; G74-H84 CarbonylContact O-C 3.59Å; G74-H84 WeakPolarHBondContact O-CA 3.15Å; G74-L85 PolarHBondContact N-O 2.83Å; G74-L85 PolarHBondContact O-N 3.34Å
75	D	98.3	Very high	98	Very high	95 Å²	95	56.9 Å²	56.9	51%	0.508	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.3	-169.9	-73.5	2.4	0	0	0	113	T82 A83 H84	D75-T82 HydrophobicContact CB-CG2 4.3Å; D75-A83 CarbonylContact C-O 3.56Å; D75-A83 WeakPolarHBondContact CA-O 3.47Å; D75-H84 WeakPolarHBondContact OD1-CB 3.31Å; D75-H84 IonicContact OD1-CE1 3.83Å; D75-H84 IonicContact OD1-CG 3.89Å; D75-H84 IonicContact OD1-ND1 2.87Å; D75-H84 PolarHBondContact OD1-ND1 3.22Å
76	K	98.4	Very high	98	Very high	74 Å²	74	53.9 Å²	53.9	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.2	158.3	-176.8	-176.7	172.6	178.1	0	108.9	M68 S69 I70 T82 A83	M68-K76 HydrophobicContact CE-CB 4.37Å; M68-K76 HydrophobicContact CE-CD 4.36Å; M68-K76 HydrophobicContact CE-CG 4.1Å; M68-K76 VanDerWaalsContact CE-O 3.26Å; M68-K76 WeakPolarHBondContact CE-O 3.23Å; S69-K76 WeakPolarHBondContact O-CD 3.26Å; S69-K76 WeakPolarHBondContact O-CE 3.46Å; S69-K76 PolarHBondContact O-NZ 3.17Å; I70-K76 HydrophobicContact CD1-CB 3.89Å; I70-K76 HydrophobicContact CG1-CB 4.29Å; K76-T82 CarbonylContact O-C 3.51Å; K76-T82 WeakPolarHBondContact O-CA 3.24Å; K76-A83 PolarHBondContact N-O 2.81Å; K76-A83 PolarHBondContact O-N 2.98Å
77	K	98.3	Very high	97.9	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.4	-177.6	-64	179.3	-178.8	173.1	0	110.6	T82	K77-T82 HydrophobicContact CG-CG2 3.85Å
78	E	97.6	Very high	97.8	Very high	113 Å²	113	57.5 Å²	57.5	53%	0.528	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	103.1	173.7	-171.4	166	174.4	0	0	109.7	M68 R80 F81	M68-E78 HydrophobicContact CE-CB 4.01Å; E78-R80 PolarHBondContact O-N 2.79Å; E78-R80 VanDerWaalsContact O-N 3.16Å; E78-F81 PolarHBondContact N-O 2.88Å; E78-F81 WeakPolarHBondContact O-CB 3.32Å; E78-F81 PolarHBondContact O-N 2.81Å
79	G	97.3	Very high	97.7	Very high	67 Å²	67	60 Å²	60	69%	0.691	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	-118.6	-174.8	0	0	0	0	0	112.6	R97	G79-R97 PolarHBondContact O-NH2 2.98Å
80	R	97.9	Very high	97.7	Very high	44 Å²	44	59.4 Å²	59.4	17%	0.166	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.2	177.8	-66.8	-168	-61.2	101	-0.4	113.8	E78 R97 D98 Q100 D103	E78-R80 PolarHBondContact O-N 2.79Å; E78-R80 VanDerWaalsContact O-N 3.16Å; R80-R97 WeakPolarHBondContact CB-O 3.37Å; R80-R97 WeakPolarHBondContact CD-O 3.48Å; R80-R97 PolarHBondContact NH1-O 3Å; R80-R97 PolarHBondContact O-N 3.16Å; R80-D98 PolarHBondContact NH1-O 3.4Å; R80-Q100 VanDerWaalsContact NE-NE2 3.12Å; R80-D103 IonicContact CZ-OD1 2.83Å; R80-D103 IonicContact CZ-OD2 3.82Å; R80-D103 VanDerWaalsContact CZ-OD2 3.22Å; R80-D103 IonicContact NH1-OD1 2.69Å; R80-D103 IonicContact NH1-OD2 3.45Å; R80-D103 PolarHBondContact NH1-OD2 2.87Å; R80-D103 IonicContact NH2-OD1 2.73Å; R80-D103 PolarHBondContact NH2-OD1 2.87Å; R80-D103 IonicContact NH2-OD2 2.71Å; R80-D103 PolarHBondContact NH2-OD2 2.81Å
81	F	98.6	Very high	97.6	Very high	26 Å²	26	61.5 Å²	61.5	11%	0.114	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.2	-176.2	-57	-90.6	0	0	0	111.4	L67 M68 E78 L94 H95 I96	L67-F81 HydrophobicContact CD1-CD1 4.23Å; L67-F81 HydrophobicContact CD1-CD2 4.44Å; L67-F81 HydrophobicContact CD1-CE1 4.14Å; L67-F81 HydrophobicContact CD1-CE2 4.37Å; L67-F81 HydrophobicContact CD1-CG 4.4Å; L67-F81 HydrophobicContact CD1-CZ 4.24Å; L67-F81 HydrophobicContact CD2-CD1 3.88Å; L67-F81 HydrophobicContact CD2-CE1 3.96Å; L67-F81 HydrophobicContact CG-CD1 4.41Å; M68-F81 HydrophobicContact SD-CB 3.48Å; M68-F81 WeakPolarHBondContact SD-CB 3.36Å; E78-F81 PolarHBondContact N-O 2.88Å; E78-F81 WeakPolarHBondContact O-CB 3.32Å; E78-F81 PolarHBondContact O-N 2.81Å; F81-L94 HydrophobicContact CB-CD1 4.42Å; F81-L94 HydrophobicContact CD1-CD1 4.41Å; F81-H95 CarbonylContact C-O 3.53Å; F81-H95 WeakPolarHBondContact CA-O 3.3Å; F81-I96 HydrophobicContact CD1-CB 4.43Å; F81-I96 HydrophobicContact CD1-CD1 4.19Å; F81-I96 HydrophobicContact CD1-CG1 3.75Å; F81-I96 HydrophobicContact CD1-CG2 4.19Å; F81-I96 HydrophobicContact CE1-CB 4.41Å; F81-I96 HydrophobicContact CE1-CD1 3.77Å; F81-I96 HydrophobicContact CE1-CG1 3.79Å; F81-I96 HydrophobicContact CE1-CG2 3.85Å; F81-I96 HydrophobicContact CZ-CG2 4.32Å
82	T	98.7	Very high	97.7	Very high	11 Å²	11	56.4 Å²	56.4	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.9	171.8	-54.6	0	0	0	0	109	D75 K76 K77 L94 H95	D75-T82 HydrophobicContact CB-CG2 4.3Å; K76-T82 CarbonylContact O-C 3.51Å; K76-T82 WeakPolarHBondContact O-CA 3.24Å; K77-T82 HydrophobicContact CG-CG2 3.85Å; T82-L94 WeakPolarHBondContact O-CA 3.5Å; T82-H95 PolarHBondContact N-O 2.87Å; T82-H95 PolarHBondContact O-N 2.86Å
83	A	98.6	Very high	97.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.5	164.5	0	0	0	0	0	108.6	M68 I70 D75 K76 S93	M68-A83 HydrophobicContact CE-CB 3.99Å; M68-A83 HydrophobicContact SD-CB 4.19Å; I70-A83 HydrophobicContact CB-CB 4.27Å; I70-A83 HydrophobicContact CD1-CB 4.18Å; I70-A83 WeakPolarHBondContact CD1-O 2.93Å; I70-A83 HydrophobicContact CG2-CB 4.12Å; D75-A83 CarbonylContact C-O 3.56Å; D75-A83 WeakPolarHBondContact CA-O 3.47Å; K76-A83 PolarHBondContact N-O 2.81Å; K76-A83 PolarHBondContact O-N 2.98Å; A83-S93 CarbonylContact C-O 3.44Å; A83-S93 VanDerWaalsContact CA-O 3.31Å; A83-S93 WeakPolarHBondContact CA-O 3.48Å
84	H	98.6	Very high	97.8	Very high	61 Å²	61	48.7 Å²	48.7	28%	0.282	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.2	171.6	174.8	83.5	0	0	0	108.6	G74 D75 V92 S93	G74-H84 CarbonylContact O-C 3.59Å; G74-H84 WeakPolarHBondContact O-CA 3.15Å; D75-H84 WeakPolarHBondContact OD1-CB 3.31Å; D75-H84 IonicContact OD1-CE1 3.83Å; D75-H84 IonicContact OD1-CG 3.89Å; D75-H84 IonicContact OD1-ND1 2.87Å; D75-H84 PolarHBondContact OD1-ND1 3.22Å; H84-V92 CarbonylContact O-C 3.58Å; H84-V92 VanDerWaalsContact O-CA 3.23Å; H84-V92 WeakPolarHBondContact O-CA 3.44Å; H84-V92 WeakPolarHBondContact O-CG2 3.26Å; H84-S93 WeakPolarHBondContact CB-OG 3.49Å; H84-S93 PolarHBondContact N-O 2.89Å; H84-S93 PolarHBondContact O-N 2.98Å
85	L	98.6	Very high	97.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.8	176.6	173.9	59.4	0	0	0	109.4	F53 I70 G74 K87 V92	F53-L85 HydrophobicContact CD2-CD1 3.61Å; F53-L85 HydrophobicContact CD2-CD2 3.92Å; F53-L85 HydrophobicContact CD2-CG 4.43Å; F53-L85 HydrophobicContact CE2-CD1 3.6Å; F53-L85 HydrophobicContact CE2-CD2 4.28Å; F53-L85 HydrophobicContact CG-CD1 4.27Å; F53-L85 HydrophobicContact CZ-CD1 4.23Å; I70-L85 HydrophobicContact CD1-CB 3.76Å; I70-L85 HydrophobicContact CG1-CB 4.01Å; I70-L85 HydrophobicContact CG1-CD2 4.44Å; I70-L85 HydrophobicContact CG2-CB 4.12Å; G74-L85 PolarHBondContact N-O 2.83Å; G74-L85 PolarHBondContact O-N 3.34Å; L85-K87 HydrophobicContact CD2-CG 3.99Å; L85-K87 HydrophobicContact CG-CG 4.08Å; L85-V92 HydrophobicContact CD1-CB 4.25Å
86	N	97.9	Very high	97.9	Very high	60 Å²	60	45.9 Å²	45.9	32%	0.321	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.5	161.6	-177.2	-40.1	0	0	0	108.6	D73 A88 S89 L90 H91	D73-N86 WeakPolarHBondContact OD1-CA 3.43Å; N86-A88 VanDerWaalsContact C-N 3.32Å; N86-A88 PolarHBondContact O-N 2.8Å; N86-A88 WeakPolarHBondContact OD1-CB 3.33Å; N86-A88 PolarHBondContact OD1-N 3.49Å; N86-S89 WeakPolarHBondContact CB-OG 3.42Å; N86-S89 VanDerWaalsContact CG-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.88Å; N86-S89 VanDerWaalsContact OD1-N 3.1Å; N86-S89 PolarHBondContact OD1-OG 2.88Å; N86-L90 WeakPolarHBondContact O-CA 3.49Å; N86-L90 PolarHBondContact O-N 3.36Å; N86-H91 PolarHBondContact N-O 2.98Å; N86-H91 PolarHBondContact O-N 2.84Å; N86-H91 VanDerWaalsContact O-N 3.1Å
87	K	95.7	Very high	97.9	Very high	82 Å²	82	47.5 Å²	47.5	36%	0.357	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.8	-178.6	-75.3	-163	174.1	-157	0	113.2	F71 D73 L85 S89 L90	F71-K87 WeakPolarHBondContact O-CE 3.27Å; F71-K87 PolarHBondContact O-NZ 2.79Å; D73-K87 HydrophobicContact CB-CD 4.23Å; D73-K87 HydrophobicContact CB-CG 4.01Å; D73-K87 PolarHBondContact OD1-N 2.02Å; L85-K87 HydrophobicContact CD2-CG 3.99Å; L85-K87 HydrophobicContact CG-CG 4.08Å; K87-S89 VanDerWaalsContact C-N 3.31Å; K87-S89 PolarHBondContact O-N 2.93Å; K87-L90 PolarHBondContact O-N 2.69Å
88	A	95.6	Very high	97.9	Very high	89 Å²	89	44.8 Å²	44.8	74%	0.736	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-36	-176.8	0	0	0	0	0	112	N86	N86-A88 VanDerWaalsContact C-N 3.32Å; N86-A88 PolarHBondContact O-N 2.8Å; N86-A88 WeakPolarHBondContact OD1-CB 3.33Å; N86-A88 PolarHBondContact OD1-N 3.49Å
89	S	96.2	Very high	97.9	Very high	58 Å²	58	39.9 Å²	39.9	41%	0.406	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-0.8	177	61.3	0	0	0	0	114.3	N86 K87 H91	N86-S89 WeakPolarHBondContact CB-OG 3.42Å; N86-S89 VanDerWaalsContact CG-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.88Å; N86-S89 VanDerWaalsContact OD1-N 3.1Å; N86-S89 PolarHBondContact OD1-OG 2.88Å; K87-S89 VanDerWaalsContact C-N 3.31Å; K87-S89 PolarHBondContact O-N 2.93Å; S89-H91 PolarHBondContact O-N 2.79Å; S89-H91 VanDerWaalsContact OG-CB 3.3Å; S89-H91 WeakPolarHBondContact OG-CB 3.05Å
90	L	96.5	Very high	98	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.11	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	36.5	-173	-55.5	169.8	0	0	0	112.5	T44 S45 D47 R48 F53 N86 K87	T44-L90 WeakPolarHBondContact CA-O 3.35Å; S45-L90 PolarHBondContact N-O 2.9Å; S45-L90 WeakPolarHBondContact O-CD1 3.36Å; D47-L90 WeakPolarHBondContact O-CD1 3.19Å; R48-L90 HydrophobicContact CB-CD1 4.38Å; R48-L90 HydrophobicContact CG-CD1 3.87Å; F53-L90 HydrophobicContact CZ-CB 4.22Å; F53-L90 HydrophobicContact CZ-CD2 4.34Å; N86-L90 WeakPolarHBondContact O-CA 3.49Å; N86-L90 PolarHBondContact O-N 3.36Å; K87-L90 PolarHBondContact O-N 2.69Å
91	H	97.9	Very high	97.9	Very high	50 Å²	50	42.3 Å²	42.3	23%	0.231	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.4	-177.8	179.5	89.6	0	0	0	109	N42 C43 T44 N86 S89	N42-H91 PolarHBondContact OD1-NE2 3.05Å; C43-H91 CarbonylContact O-C 3.55Å; C43-H91 WeakPolarHBondContact O-CA 3.29Å; T44-H91 PolarHBondContact OG1-ND1 3.45Å; N86-H91 PolarHBondContact N-O 2.98Å; N86-H91 PolarHBondContact O-N 2.84Å; N86-H91 VanDerWaalsContact O-N 3.1Å; S89-H91 PolarHBondContact O-N 2.79Å; S89-H91 VanDerWaalsContact OG-CB 3.3Å; S89-H91 WeakPolarHBondContact OG-CB 3.05Å
92	V	98.3	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131	172.9	68.3	0	0	0	0	109.5	C43 F53 W55 I70 H84 L85	C43-V92 HydrophobicContact CB-CG1 3.61Å; C43-V92 PolarHBondContact N-O 2.91Å; C43-V92 PolarHBondContact O-N 2.84Å; C43-V92 VanDerWaalsContact O-O 3.08Å; F53-V92 HydrophobicContact CB-CB 4.2Å; F53-V92 HydrophobicContact CB-CG1 4.07Å; F53-V92 HydrophobicContact CB-CG2 4.14Å; F53-V92 HydrophobicContact CD1-CB 4.05Å; F53-V92 HydrophobicContact CD1-CG1 3.57Å; F53-V92 HydrophobicContact CE1-CG1 4.32Å; F53-V92 HydrophobicContact CG-CB 4.14Å; F53-V92 HydrophobicContact CG-CG1 4.04Å; W55-V92 HydrophobicContact CZ2-CG1 4.33Å; I70-V92 HydrophobicContact CG2-CG2 3.7Å; H84-V92 CarbonylContact O-C 3.58Å; H84-V92 VanDerWaalsContact O-CA 3.23Å; H84-V92 WeakPolarHBondContact O-CA 3.44Å; H84-V92 WeakPolarHBondContact O-CG2 3.26Å; L85-V92 HydrophobicContact CD1-CB 4.25Å
93	S	98.5	Very high	97.8	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.3	173.8	65.1	0	0	0	0	110.8	L41 A83 H84 H95	L41-S93 CarbonylContact O-C 3.53Å; L41-S93 WeakPolarHBondContact O-CA 3.35Å; L41-S93 WeakPolarHBondContact O-CB 3.33Å; A83-S93 CarbonylContact C-O 3.44Å; A83-S93 VanDerWaalsContact CA-O 3.31Å; A83-S93 WeakPolarHBondContact CA-O 3.48Å; H84-S93 WeakPolarHBondContact CB-OG 3.49Å; H84-S93 PolarHBondContact N-O 2.89Å; H84-S93 PolarHBondContact O-N 2.98Å; S93-H95 PolarHBondContact OG-CE1 2.79Å
94	L	98.8	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.9	169.2	179.2	68.2	0	0	0	109.3	S40 L41 W55 L67 M68 F81 T82 I96 Y107	S40-L94 WeakPolarHBondContact CA-O 3.36Å; L41-L94 HydrophobicContact CB-CB 4.39Å; L41-L94 HydrophobicContact CD1-CD2 4.33Å; L41-L94 PolarHBondContact N-O 2.89Å; L41-L94 PolarHBondContact O-N 3.01Å; W55-L94 HydrophobicContact CB-CD2 4.17Å; W55-L94 HydrophobicContact CD2-CB 3.7Å; W55-L94 HydrophobicContact CD2-CD2 3.98Å; W55-L94 HydrophobicContact CD2-CG 4.39Å; W55-L94 VanDerWaalsContact CE2-CB 3.49Å; W55-L94 HydrophobicContact CE3-CB 4.26Å; W55-L94 HydrophobicContact CE3-CD2 4.11Å; W55-L94 HydrophobicContact CG-CB 3.99Å; W55-L94 HydrophobicContact CG-CD1 4.37Å; W55-L94 HydrophobicContact CG-CD2 4.01Å; W55-L94 HydrophobicContact CG-CG 4.36Å; W55-L94 HydrophobicContact CH2-CB 4.41Å; W55-L94 HydrophobicContact CZ2-CB 3.88Å; L67-L94 HydrophobicContact CD2-CD1 4.46Å; L67-L94 HydrophobicContact CD2-CD2 3.75Å; M68-L94 HydrophobicContact SD-CD1 3.9Å; F81-L94 HydrophobicContact CB-CD1 4.42Å; F81-L94 HydrophobicContact CD1-CD1 4.41Å; T82-L94 WeakPolarHBondContact O-CA 3.5Å; L94-I96 HydrophobicContact CG-CG1 4.47Å; L94-Y107 HydrophobicContact CD2-CD1 3.72Å; L94-Y107 HydrophobicContact CD2-CE1 3.94Å
95	H	98.7	Very high	97.7	Very high	52 Å²	52	47.7 Å²	47.7	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.4	174.2	-60.8	101	0	0	0	110.2	A39 S40 F81 T82 S93	A39-H95 CarbonylContact O-C 3.58Å; A39-H95 VanDerWaalsContact O-CA 3.31Å; A39-H95 WeakPolarHBondContact O-CA 3.24Å; S40-H95 PolarHBondContact OG-CD2 2.82Å; F81-H95 CarbonylContact C-O 3.53Å; F81-H95 WeakPolarHBondContact CA-O 3.3Å; T82-H95 PolarHBondContact N-O 2.87Å; T82-H95 PolarHBondContact O-N 2.86Å; S93-H95 PolarHBondContact OG-CE1 2.79Å
96	I	98.6	Very high	97.7	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.3	174.4	-45.3	177.1	0	0	0	106.9	M38 A39 F81 L94 Y107	M38-I96 WeakPolarHBondContact CA-O 3.43Å; A39-I96 HydrophobicContact CB-CB 4.13Å; A39-I96 HydrophobicContact CB-CD1 4.41Å; A39-I96 HydrophobicContact CB-CG1 4.4Å; A39-I96 PolarHBondContact N-O 2.95Å; A39-I96 PolarHBondContact O-N 2.85Å; F81-I96 HydrophobicContact CD1-CB 4.43Å; F81-I96 HydrophobicContact CD1-CD1 4.19Å; F81-I96 HydrophobicContact CD1-CG1 3.75Å; F81-I96 HydrophobicContact CD1-CG2 4.19Å; F81-I96 HydrophobicContact CE1-CB 4.41Å; F81-I96 HydrophobicContact CE1-CD1 3.77Å; F81-I96 HydrophobicContact CE1-CG1 3.79Å; F81-I96 HydrophobicContact CE1-CG2 3.85Å; F81-I96 HydrophobicContact CZ-CG2 4.32Å; L94-I96 HydrophobicContact CG-CG1 4.47Å; I96-Y107 HydrophobicContact CD1-CE1 3.92Å
97	R	98.4	Very high	97.8	Very high	108 Å²	108	51.3 Å²	51.3	41%	0.408	29%	0.293	S	S	.	.	S	Bend	trans	-89.9	156.6	175.5	-63.3	-179.2	-67.2	104.1	3.6	110	M38 G79 R80 S99	M38-R97 HydrophobicContact CE-CG 4.23Å; G79-R97 PolarHBondContact O-NH2 2.98Å; R80-R97 WeakPolarHBondContact CB-O 3.37Å; R80-R97 WeakPolarHBondContact CD-O 3.48Å; R80-R97 PolarHBondContact NH1-O 3Å; R80-R97 PolarHBondContact O-N 3.16Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 PolarHBondContact O-N 3.12Å
98	D	98.3	Very high	97.8	Very high	87 Å²	87	51.1 Å²	51.1	47%	0.465	29%	0.293	S	S	.	.	S	Bend	trans	49.9	56.5	176.6	178	48.5	0	0	0	110.1	G37 R80 Q100	G37-D98 PolarHBondContact O-N 3.1Å; R80-D98 PolarHBondContact NH1-O 3.4Å; D98-Q100 WeakPolarHBondContact O-CG 3.31Å; D98-Q100 PolarHBondContact O-N 2.82Å
99	S	98.5	Very high	97.9	Very high	11 Å²	11	47.4 Å²	47.4	8%	0.077	26%	0.261	C	S	.	.			trans	-61.2	133.5	-171.1	-61.2	0	0	0	0	110.8	E35 G36 G37 R97	E35-S99 CarbonylContact C-O 3.53Å; E35-S99 WeakPolarHBondContact CA-O 3.35Å; G36-S99 PolarHBondContact N-O 2.96Å; G37-S99 WeakPolarHBondContact O-CB 3.21Å; G37-S99 PolarHBondContact O-N 2.97Å; G37-S99 PolarHBondContact O-OG 2.77Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 PolarHBondContact O-N 3.12Å
100	Q	98.3	Very high	98	Very high	77 Å²	77	46.2 Å²	46.2	36%	0.36	26%	0.255	S	S	.	.			trans	-115.6	155.3	-176.9	-62.1	175.3	10.8	0	0	110.2	R80 D98 S102 D103	R80-Q100 VanDerWaalsContact NE-NE2 3.12Å; D98-Q100 WeakPolarHBondContact O-CG 3.31Å; D98-Q100 PolarHBondContact O-N 2.82Å; Q100-S102 PolarHBondContact O-N 3.2Å; Q100-D103 PolarHBondContact N-OD2 3.1Å; Q100-D103 WeakPolarHBondContact O-CB 3.49Å; Q100-D103 PolarHBondContact O-N 2.86Å
101	P	97.7	Very high	97.9	Very high	85 Å²	85	46.2 Å²	46.2	55%	0.552	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-53	-31.4	175.6	-29	36.1	0	0	0	113.9	D103 S104	P101-D103 PolarHBondContact O-N 3.11Å; P101-S104 VanDerWaalsContact O-CB 3.27Å; P101-S104 WeakPolarHBondContact O-CB 3.46Å; P101-S104 PolarHBondContact O-N 3.43Å; P101-S104 PolarHBondContact O-OG 2.88Å
102	S	96.8	Very high	97.8	Very high	71 Å²	71	46.1 Å²	46.1	50%	0.497	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-69.2	-13.8	177.2	58.5	0	0	0	0	114.9	H59 Q100 S104	H59-S102 PolarHBondContact NE2-O 2.91Å; Q100-S102 PolarHBondContact O-N 3.2Å; S102-S104 VanDerWaalsContact C-N 3.26Å
103	D	97.8	Very high	97.4	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.08	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-80.1	-8.7	172.9	-61.5	-40	0	0	0	112.3	R80 Q100 P101 A105 Y107	R80-D103 IonicContact CZ-OD1 2.83Å; R80-D103 IonicContact CZ-OD2 3.82Å; R80-D103 VanDerWaalsContact CZ-OD2 3.22Å; R80-D103 IonicContact NH1-OD1 2.69Å; R80-D103 IonicContact NH1-OD2 3.45Å; R80-D103 PolarHBondContact NH1-OD2 2.87Å; R80-D103 IonicContact NH2-OD1 2.73Å; R80-D103 PolarHBondContact NH2-OD1 2.87Å; R80-D103 IonicContact NH2-OD2 2.71Å; R80-D103 PolarHBondContact NH2-OD2 2.81Å; Q100-D103 PolarHBondContact N-OD2 3.1Å; Q100-D103 WeakPolarHBondContact O-CB 3.49Å; Q100-D103 PolarHBondContact O-N 2.86Å; P101-D103 PolarHBondContact O-N 3.11Å; D103-A105 PolarHBondContact O-N 3.33Å; D103-Y107 WeakPolarHBondContact O-CE2 3.45Å; D103-Y107 PolarHBondContact O-OH 3.42Å
104	S	97.7	Very high	97.3	Very high	93 Å²	93	55.6 Å²	55.6	65%	0.65	31%	0.309	S	S	*	.			trans	-64.6	106.5	177.5	-55	0	0	0	0	110.6	P101 S102	P101-S104 VanDerWaalsContact O-CB 3.27Å; P101-S104 WeakPolarHBondContact O-CB 3.46Å; P101-S104 PolarHBondContact O-N 3.43Å; P101-S104 PolarHBondContact O-OG 2.88Å; S102-S104 VanDerWaalsContact C-N 3.26Å
105	A	98.1	Very high	97.3	Very high	31 Å²	31	58.5 Å²	58.5	26%	0.256	33%	0.325	S	S	.	.	S	Bend	trans	-161.9	170.7	-175.2	0	0	0	0	0	110.9	R57 Q58 D103 Y107	R57-A105 HydrophobicContact CG-CB 3.53Å; Q58-A105 WeakPolarHBondContact O-CB 3.38Å; D103-A105 PolarHBondContact O-N 3.33Å; A105-Y107 HydrophobicContact CB-CD2 4.39Å; A105-Y107 HydrophobicContact CB-CE2 3.83Å; A105-Y107 WeakPolarHBondContact O-CD2 3.48Å
106	L	98.3	Very high	97.2	Very high	107 Å²	107	58.8 Å²	58.8	56%	0.56	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	138.8	164.1	-65.5	173.3	0	0	0	109.7	R57 Q58 F108	R57-L106 CarbonylContact C-O 3.59Å; R57-L106 WeakPolarHBondContact CA-O 3.23Å; Q58-L106 HydrophobicContact CB-CB 4.27Å; Q58-L106 PolarHBondContact N-O 2.96Å; Q58-L106 PolarHBondContact O-N 3.37Å; L106-F108 HydrophobicContact CB-CE2 3.79Å; L106-F108 HydrophobicContact CB-CZ 3.88Å; L106-F108 HydrophobicContact CD1-CZ 4.17Å
107	Y	98.4	Very high	97.1	Very high	30 Å²	30	62 Å²	62	12%	0.118	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.9	179.9	-72.8	-101.7	0	0	0	110.5	Q26 L41 Y56 R57 L67 L94 I96 D103 A105	Q26-Y107 PolarHBondContact NE2-O 3.25Å; Q26-Y107 VanDerWaalsContact NE2-O 3.1Å; L41-Y107 VanDerWaalsContact CD1-CB 3.47Å; L41-Y107 HydrophobicContact CD1-CD1 3.99Å; L41-Y107 HydrophobicContact CD1-CD2 4.15Å; L41-Y107 HydrophobicContact CD1-CG 3.62Å; Y56-Y107 VanDerWaalsContact O-CA 3.31Å; Y56-Y107 WeakPolarHBondContact O-CA 3.36Å; R57-Y107 HydrophobicContact CB-CD1 4.41Å; R57-Y107 HydrophobicContact CB-CE1 4.17Å; R57-Y107 WeakPolarHBondContact CD-OH 3.45Å; R57-Y107 HydrophobicContact CG-CE1 4.04Å; R57-Y107 HydrophobicContact CG-CE2 4.34Å; L67-Y107 HydrophobicContact CD2-CD1 4.08Å; L67-Y107 HydrophobicContact CD2-CE1 3.61Å; L94-Y107 HydrophobicContact CD2-CD1 3.72Å; L94-Y107 HydrophobicContact CD2-CE1 3.94Å; I96-Y107 HydrophobicContact CD1-CE1 3.92Å; D103-Y107 WeakPolarHBondContact O-CE2 3.45Å; D103-Y107 PolarHBondContact O-OH 3.42Å; A105-Y107 HydrophobicContact CB-CD2 4.39Å; A105-Y107 HydrophobicContact CB-CE2 3.83Å; A105-Y107 WeakPolarHBondContact O-CD2 3.48Å
108	F	97.3	Very high	97	Very high	79 Å²	79	59.1 Å²	59.1	35%	0.346	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.3	-179.7	-52.1	-86	0	0	0	110.1	W55 Y56 Q58 L106	W55-F108 CarbonylContact C-O 3.56Å; W55-F108 WeakPolarHBondContact CA-O 3.5Å; Y56-F108 PolarHBondContact N-O 3.43Å; Y56-F108 PolarHBondContact O-N 3.1Å; Q58-F108 HydrophobicContact CB-CE2 3.87Å; Q58-F108 VanDerWaalsContact OE1-CE2 3.27Å; L106-F108 HydrophobicContact CB-CE2 3.79Å; L106-F108 HydrophobicContact CB-CZ 3.88Å; L106-F108 HydrophobicContact CD1-CZ 4.17Å
109	C	97.7	Very high	96.9	Very high	10 Å²	10	57.3 Å²	57.3	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.5	168	176.1	0	0	0	0	109.1	Q26 C43 W54 W55	Q26-C109 HydrophobicContact CG-CB 3.82Å; C43-C109 HydrophobicContact CB-CB 3.37Å; C43-C109 WeakPolarHBondContact CB-SG 3.38Å; C43-C109 WeakPolarHBondContact SG-CB 3.49Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 3.02Å; W54-C109 CarbonylContact O-C 3.56Å; W54-C109 VanDerWaalsContact O-CA 3.27Å; W54-C109 WeakPolarHBondContact O-CA 3.45Å; W55-C109 HydrophobicContact CD2-CB 4.45Å; W55-C109 HydrophobicContact CE3-CB 4.13Å; W55-C109 HydrophobicContact CH2-CB 4Å; W55-C109 HydrophobicContact CZ2-CB 4.31Å; W55-C109 HydrophobicContact CZ3-CB 3.89Å
110	A	96.7	Very high	96.8	Very high	34 Å²	34	60.6 Å²	60.6	28%	0.281	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.4	167.1	0	0	0	0	0	109.8	F53 W54 Y56	F53-A110 WeakPolarHBondContact CA-O 3.43Å; W54-A110 HydrophobicContact CB-CB 4.36Å; W54-A110 PolarHBondContact N-O 2.79Å; W54-A110 PolarHBondContact O-N 3.44Å; Y56-A110 HydrophobicContact CD2-CB 4.49Å; Y56-A110 HydrophobicContact CE2-CB 3.93Å
111	A	95.7	Very high	96.7	Very high	20 Å²	20	59.3 Å²	59.3	17%	0.165	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.3	175.7	0	0	0	0	0	109.3	V24 F50 Y52 F53	V24-A111 HydrophobicContact CG1-CB 3.73Å; F50-A111 HydrophobicContact CB-CB 3.95Å; F50-A111 HydrophobicContact CD2-CB 3.35Å; F50-A111 HydrophobicContact CE2-CB 4.04Å; F50-A111 HydrophobicContact CG-CB 3.89Å; Y52-A111 CarbonylContact O-C 3.57Å; Y52-A111 VanDerWaalsContact O-CA 3.27Å; Y52-A111 WeakPolarHBondContact O-CA 3.39Å; F53-A111 HydrophobicContact CD1-CB 3.79Å; F53-A111 HydrophobicContact CE1-CB 3.73Å; F53-A111 HydrophobicContact CZ-CB 4.43Å
112	S	94.5	Very high	96.6	Very high	48 Å²	48	57.2 Å²	57.2	34%	0.336	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.2	178.5	68	0	0	0	0	111	F50 Q51 Y52	F50-S112 CarbonylContact C-O 3.51Å; F50-S112 WeakPolarHBondContact CA-O 3.15Å; F50-S112 WeakPolarHBondContact CB-O 3.38Å; F50-S112 VanDerWaalsContact CD1-C 3.47Å; Q51-S112 PolarHBondContact N-O 2.71Å; Y52-S112 PolarHBondContact N-O 2.76Å; Y52-S112 PolarHBondContact O-N 2.83Å
113	E	90.8	Very high	96.6	Very high	148 Å²	148	55.9 Å²	55.9	69%	0.692	32%	0.323	S	S	*	.			trans	-57.9	0	172.8	-62.6	179.2	-163	0	0	111.8	N49 F50 Q51 Y52	N49-E113 HydrophobicContact CB-CG 4.11Å; F50-E113 HydrophobicContact CD1-CG 3.86Å; F50-E113 HydrophobicContact CE1-CG 4.1Å; Q51-E113 WeakPolarHBondContact CB-OXT 3.49Å; Q51-E113 WeakPolarHBondContact CG-OXT 3.44Å; Y52-E113 WeakPolarHBondContact CD2-O 3.41Å; Y52-E113 WeakPolarHBondContact CD2-OXT 3.39Å; Y52-E113 WeakPolarHBondContact CE2-OXT 2.81Å

Retrieved 113 of 113 residues in 144.9 ms (Link to these results)

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