A0A075B620_MOUSE Loading...

T cell receptor alpha variable 7N-4

AlphaFold DB , UniProt , Accession A0A075B620, Species MOUSE (Mus musculus, Mouse), Gene Trav7n-4, Length 113 aa.

						>A0A075B620_MOUSE|A0A075B620|Trav7n-4
MKSLSVSLVVLWLQLNWVKSQQKVQQSPESLSVPEGGMASLNCTSSDRNFQYFWWYRQHSGEGPKALMSIFSDGDKKEGRFTAHLNKASLHVSLHIRDSQPSDSALYFCAVSE
					

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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	47.3	Very low	65.5	Low	246 Å²	246	141.1 Å²	141.1	100%	1.212	79%	0.791	S	S	*	*				0	111.7	0	-64	163.7	83.5	0	0	107.1
2	K	53	Low	65.9	Low	215 Å²	215	146.8 Å²	146.8	94%	0.935	79%	0.791	S	S	*	*			trans	-90.9	114.8	-178.1	-73.3	-179.1	172.3	-179.9	0	108.3
3	S	53.6	Low	65.9	Low	118 Å²	118	146.1 Å²	146.1	83%	0.825	79%	0.785	S	S	*	*			trans	-77.7	124.5	174.7	-179.5	0	0	0	0	109.2
4	L	59.2	Low	66.2	Low	160 Å²	160	146.3 Å²	146.3	84%	0.838	78%	0.779	S	S	*	*			trans	-87.1	104.8	172.3	-77.5	160.3	0	0	0	107.7	V6	L4-V6 PolarHBondContact O-N 3.48Å
5	S	70.6	Confident	66.2	Low	105 Å²	105	147.3 Å²	147.3	73%	0.734	78%	0.783	S	S	*	*			trans	-75.1	107.4	171.8	-177.8	0	0	0	0	109
6	V	74.9	Confident	66.3	Low	117 Å²	117	146.4 Å²	146.4	71%	0.709	78%	0.779	S	S	*	*			trans	-89.2	106.1	171.6	-178.7	0	0	0	0	107.5	L4 L8	L4-V6 PolarHBondContact O-N 3.48Å; V6-L8 HydrophobicContact CG1-CD1 4.06Å; V6-L8 PolarHBondContact O-N 3.28Å
7	S	70.3	Confident	66.6	Low	98 Å²	98	151.5 Å²	151.5	69%	0.685	79%	0.785	S	S	*	*			trans	-87.5	104	173.7	-63.3	0	0	0	0	109.5	V9	S7-V9 PolarHBondContact O-N 3.22Å
8	L	71	Confident	66.7	Low	146 Å²	146	150.4 Å²	150.4	76%	0.764	79%	0.786	S	S	*	*			trans	-78.7	97.3	169.4	-108.4	96.3	0	0	0	109	V6 V10	V6-L8 HydrophobicContact CG1-CD1 4.06Å; V6-L8 PolarHBondContact O-N 3.28Å; L8-V10 HydrophobicContact CD2-CG2 4.41Å; L8-V10 PolarHBondContact O-N 3.26Å
9	V	78.3	Confident	66.6	Low	120 Å²	120	152.1 Å²	152.1	73%	0.727	79%	0.786	S	S	*	*			trans	-82.1	93.5	169.2	-177.9	0	0	0	0	107.8	S7 L11	S7-V9 PolarHBondContact O-N 3.22Å; V9-L11 HydrophobicContact CG1-CD1 4.12Å; V9-L11 PolarHBondContact O-N 2.92Å
10	V	75.2	Confident	66.7	Low	95 Å²	95	149.5 Å²	149.5	58%	0.576	78%	0.782	S	S	*	*			trans	-78.8	100	171.4	-176.3	0	0	0	0	107	L8 W12	L8-V10 HydrophobicContact CD2-CG2 4.41Å; L8-V10 PolarHBondContact O-N 3.26Å; V10-W12 PolarHBondContact O-N 3.22Å
11	L	67.4	Low	66.8	Low	132 Å²	132	150.2 Å²	150.2	69%	0.691	78%	0.781	S	S	*	*			trans	-80.5	104.2	175.7	-142.7	84	0	0	0	108.1	V9 L13	V9-L11 HydrophobicContact CG1-CD1 4.12Å; V9-L11 PolarHBondContact O-N 2.92Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 2.83Å
12	W	70.2	Confident	68	Low	210 Å²	210	144.5 Å²	144.5	80%	0.795	75%	0.752	S	S	*	*			trans	-73	85.2	176.7	-65.6	62.4	0	0	0	108.4	V10 Q14	V10-W12 PolarHBondContact O-N 3.22Å; W12-Q14 VanDerWaalsContact C-N 3.32Å; W12-Q14 PolarHBondContact O-N 3.49Å
13	L	66.4	Low	69.7	Low	137 Å²	137	137.9 Å²	137.9	72%	0.717	72%	0.723	S	S	*	*			trans	-66.4	96.4	168.7	-77.9	157.2	0	0	0	107.4	L11 L15	L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 2.83Å; L13-L15 PolarHBondContact O-N 3.15Å
14	Q	69.7	Low	71.7	Confident	149 Å²	149	133.3 Å²	133.3	70%	0.696	69%	0.69	S	S	*	*			trans	-60.9	89.2	166.9	-63.9	-89.1	-39.4	0	0	106.7	W12 N16	W12-Q14 VanDerWaalsContact C-N 3.32Å; W12-Q14 PolarHBondContact O-N 3.49Å; Q14-N16 PolarHBondContact O-N 3.29Å; Q14-N16 PolarHBondContact O-ND2 2.89Å
15	L	65.6	Low	73.5	Confident	161 Å²	161	131.5 Å²	131.5	84%	0.843	68%	0.677	S	S	*	*			trans	-68.9	81.9	170.3	-69.7	173.7	0	0	0	106.6	L13 W17	L13-L15 PolarHBondContact O-N 3.15Å; L15-W17 PolarHBondContact O-N 2.89Å; L15-W17 VanDerWaalsContact O-N 3.08Å
16	N	68.1	Low	74.8	Confident	133 Å²	133	129.6 Å²	129.6	71%	0.711	66%	0.657	S	S	*	*			trans	-52.8	119.8	169.2	-73.1	-63.8	0	0	0	107	Q14 V18	Q14-N16 PolarHBondContact O-N 3.29Å; Q14-N16 PolarHBondContact O-ND2 2.89Å; N16-V18 PolarHBondContact O-N 3.29Å
17	W	71.1	Confident	75.9	Confident	233 Å²	233	127 Å²	127	88%	0.883	64%	0.643	S	S	*	*			trans	-58.5	100.5	-174	-160.6	-32.7	0	0	0	109.2	L15 K19	L15-W17 PolarHBondContact O-N 2.89Å; L15-W17 VanDerWaalsContact O-N 3.08Å; W17-K19 PolarHBondContact O-N 3.23Å; W17-K19 VanDerWaalsContact O-N 3.09Å
18	V	68.9	Low	77.2	Confident	132 Å²	132	125 Å²	125	80%	0.8	63%	0.628	S	S	*	*			trans	-70.6	108.8	172.7	178.3	0	0	0	0	106.6	N16 S20	N16-V18 PolarHBondContact O-N 3.29Å; V18-S20 PolarHBondContact O-N 3.17Å
19	K	64.7	Low	78.4	Confident	182 Å²	182	127.6 Å²	127.6	79%	0.791	64%	0.637	S	S	*	*			trans	-81.3	101	170.9	-64.4	-173.1	-177.6	-178	0	107.5	W17 Q21	W17-K19 PolarHBondContact O-N 3.23Å; W17-K19 VanDerWaalsContact O-N 3.09Å; K19-Q21 PolarHBondContact O-N 2.95Å
20	S	68.5	Low	79.3	Confident	100 Å²	100	126.8 Å²	126.8	70%	0.699	64%	0.636	S	S	*	*			trans	-65	125.2	167.4	-178.6	0	0	0	0	108.5	V18 Q22	V18-S20 PolarHBondContact O-N 3.17Å; S20-Q22 PolarHBondContact O-N 3.36Å
21	Q	68.7	Low	80.4	Confident	165 Å²	165	126.5 Å²	126.5	77%	0.771	63%	0.631	S	S	*	*			trans	-79.6	79.6	172.3	-169.2	179.4	16.4	0	0	108.2	K19 K23	K19-Q21 PolarHBondContact O-N 2.95Å; Q21-K23 PolarHBondContact O-N 3.23Å
22	Q	73.1	Confident	81.8	Confident	127 Å²	127	126 Å²	126	59%	0.593	64%	0.639	S	S	*	*			trans	-66	106.9	177.9	179.8	162.6	-24.1	0	0	109.5	S20 V24	S20-Q22 PolarHBondContact O-N 3.36Å; Q22-V24 VanDerWaalsContact C-N 3.33Å; Q22-V24 WeakPolarHBondContact CG-O 3.41Å; Q22-V24 PolarHBondContact NE2-O 3.43Å
23	K	88	Confident	83.1	Confident	75 Å²	75	118 Å²	118	33%	0.326	61%	0.612	S	S	.	*			trans	-81.3	-10.4	-179.1	-70.8	-176	170.3	-165	0	113.5	Q21 S45 S46 D47 V111 E113	Q21-K23 PolarHBondContact O-N 3.23Å; K23-S45 CarbonylContact O-C 3.52Å; K23-S45 WeakPolarHBondContact O-CA 3.46Å; K23-S45 WeakPolarHBondContact O-CB 3.33Å; K23-S45 PolarHBondContact O-OG 3.31Å; K23-S46 PolarHBondContact O-N 2.8Å; K23-S46 PolarHBondContact O-OG 3.48Å; K23-D47 HydrophobicContact CD-CB 4.22Å; K23-D47 WeakPolarHBondContact CD-OD2 3.37Å; K23-D47 WeakPolarHBondContact CE-OD2 3.43Å; K23-D47 IonicContact NZ-OD2 3.24Å; K23-D47 PolarHBondContact NZ-OD2 2.94Å; K23-V111 HydrophobicContact CB-CG2 4.36Å; K23-E113 IonicContact NZ-OE1 2.64Å; K23-E113 PolarHBondContact NZ-OE1 2.96Å
24	V	95.5	Very high	84.6	Confident	23 Å²	23	116.2 Å²	116.2	14%	0.139	61%	0.609	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.4	142.8	-176.4	-60.5	0	0	0	0	111.9	Q22 T44 V111	Q22-V24 VanDerWaalsContact C-N 3.33Å; Q22-V24 WeakPolarHBondContact CG-O 3.41Å; Q22-V24 PolarHBondContact NE2-O 3.43Å; V24-T44 CarbonylContact C-O 3.54Å; V24-T44 WeakPolarHBondContact CA-O 3.41Å; V24-V111 HydrophobicContact CG1-CB 4.48Å; V24-V111 HydrophobicContact CG1-CG1 4Å; V24-V111 HydrophobicContact CG1-CG2 3.92Å
25	Q	96.6	Very high	86	Confident	121 Å²	121	116.3 Å²	116.3	57%	0.565	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.8	124.2	176.1	-173.2	71.4	-12.6	0	0	109.3	C43 T44	Q25-C43 CarbonylContact O-C 3.54Å; Q25-C43 VanDerWaalsContact O-CA 3.3Å; Q25-C43 WeakPolarHBondContact O-CA 3.33Å; Q25-T44 PolarHBondContact N-O 2.82Å; Q25-T44 PolarHBondContact O-N 3.05Å
26	Q	97.9	Very high	87.5	Confident	65 Å²	65	110.7 Å²	110.7	30%	0.304	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	147.4	-178.1	-70.5	-177.4	-121.3	0	0	111.9	N42 C43 Y107 C109	Q26-N42 CarbonylContact C-O 3.52Å; Q26-N42 VanDerWaalsContact CA-O 3.27Å; Q26-N42 WeakPolarHBondContact CA-O 3.3Å; Q26-C43 HydrophobicContact CG-CB 4.3Å; Q26-Y107 PolarHBondContact NE2-O 2.94Å; Q26-C109 VanDerWaalsContact CD-N 3.31Å; Q26-C109 HydrophobicContact CG-CB 3.8Å
27	S	98.3	Very high	89	Confident	62 Å²	62	105.3 Å²	105.3	43%	0.434	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.5	150.1	170.9	58.4	0	0	0	0	112	N42	S27-N42 PolarHBondContact N-O 2.93Å; S27-N42 WeakPolarHBondContact O-CB 3.35Å; S27-N42 PolarHBondContact O-N 2.88Å
28	P	98.2	Very high	90.3	Very high	56 Å²	56	100.1 Å²	100.1	36%	0.364	55%	0.554	S	S	.	*			cis	-70	167.7	-11.2	34.5	-38.2	0	0	0	111.8	S30 L31	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.29Å; P28-S30 WeakPolarHBondContact CG-O 3.4Å; P28-L31 HydrophobicContact CG-CB 3.91Å; P28-L31 HydrophobicContact CG-CD1 4.38Å
29	E	96.7	Very high	91.7	Very high	202 Å²	202	94.3 Å²	94.3	94%	0.944	52%	0.519	S	S	*	.	S	Bend	trans	-68.1	-34.4	174.9	-177	178.1	-178.3	0	0	111.9
30	S	97.3	Very high	93.3	Very high	103 Å²	103	87.6 Å²	87.6	72%	0.72	50%	0.495	S	S	*	.			trans	-143.4	151	172.8	61.1	0	0	0	0	109.8	P28	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-S30 WeakPolarHBondContact CB-O 3.29Å; P28-S30 WeakPolarHBondContact CG-O 3.4Å
31	L	97.4	Very high	94.7	Very high	89 Å²	89	83.9 Å²	83.9	47%	0.466	47%	0.467	S	S	.	.			trans	-143	133.8	179.6	-178.8	65.2	0	0	0	108.8	P28 V33 A39 L41	P28-L31 HydrophobicContact CG-CB 3.91Å; P28-L31 HydrophobicContact CG-CD1 4.38Å; L31-V33 HydrophobicContact CD1-CG2 4.22Å; L31-V33 HydrophobicContact CD2-CG2 3.62Å; L31-V33 HydrophobicContact CG-CG2 3.59Å; L31-A39 HydrophobicContact CD2-CB 3.93Å; L31-L41 HydrophobicContact CD2-CD2 4.41Å
32	S	97.9	Very high	96.2	Very high	121 Å²	121	78.2 Å²	78.2	85%	0.846	44%	0.442	S	S	*	.			trans	-113.6	128.8	169	-173.5	0	0	0	0	108.3
33	V	97.4	Very high	97.3	Very high	41 Å²	41	72.1 Å²	72.1	25%	0.248	41%	0.414	C	S	.	.			trans	-130.9	133.8	-177.6	-171.6	0	0	0	0	107.9	L31 A39	L31-V33 HydrophobicContact CD1-CG2 4.22Å; L31-V33 HydrophobicContact CD2-CG2 3.62Å; L31-V33 HydrophobicContact CG-CG2 3.59Å; V33-A39 HydrophobicContact CG2-CB 3.8Å
34	P	97.7	Very high	97.8	Very high	100 Å²	100	71.4 Å²	71.4	65%	0.649	42%	0.416	S	S	*	.			trans	-64.4	154.3	172.9	28.4	-35.1	0	0	0	111	G36 G37	P34-G36 PolarHBondContact O-N 2.75Å; P34-G37 WeakPolarHBondContact O-CA 3.4Å; P34-G37 PolarHBondContact O-N 2.89Å
35	E	98.1	Very high	97.8	Very high	152 Å²	152	70.8 Å²	70.8	71%	0.71	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	138.9	171.3	-171.4	171.7	175.7	0	0	110.8	G37 S99	E35-G37 PolarHBondContact O-N 3.06Å; E35-S99 CarbonylContact C-O 3.56Å; E35-S99 WeakPolarHBondContact CA-O 3.23Å
36	G	98.2	Very high	97.7	Very high	43 Å²	43	69.2 Å²	69.2	44%	0.443	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-8.8	-171.8	0	0	0	0	0	114.7	P34 S99	P34-G36 PolarHBondContact O-N 2.75Å; G36-S99 PolarHBondContact N-O 2.88Å
37	G	98.3	Very high	97.3	Very high	19 Å²	19	67 Å²	67	20%	0.196	41%	0.405	C	S	.	.			trans	-70.6	-178.9	177.5	0	0	0	0	0	113.8	P34 E35 D98 S99	P34-G37 WeakPolarHBondContact O-CA 3.4Å; P34-G37 PolarHBondContact O-N 2.89Å; E35-G37 PolarHBondContact O-N 3.06Å; G37-D98 PolarHBondContact O-N 2.93Å; G37-S99 PolarHBondContact O-N 2.9Å; G37-S99 PolarHBondContact O-OG 3.03Å
38	M	98.5	Very high	96.9	Very high	125 Å²	125	74.3 Å²	74.3	62%	0.616	42%	0.423	S	S	*	.			trans	-114.2	119.5	175.7	-176.1	170.9	67.5	0	0	110.4	I96	M38-I96 CarbonylContact C-O 3.55Å; M38-I96 WeakPolarHBondContact CA-O 3.39Å
39	A	98.4	Very high	96.5	Very high	10 Å²	10	77.4 Å²	77.4	8%	0.083	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143.6	170.7	0	0	0	0	0	110.6	L31 V33 H95 I96	L31-A39 HydrophobicContact CD2-CB 3.93Å; V33-A39 HydrophobicContact CG2-CB 3.8Å; A39-H95 VanDerWaalsContact O-CA 3.3Å; A39-H95 WeakPolarHBondContact O-CA 3.43Å; A39-I96 HydrophobicContact CB-CB 4.07Å; A39-I96 HydrophobicContact CB-CD1 4.31Å; A39-I96 HydrophobicContact CB-CG1 4.31Å; A39-I96 PolarHBondContact N-O 3.03Å; A39-I96 PolarHBondContact O-N 2.89Å
40	S	98.5	Very high	96.1	Very high	40 Å²	40	68.8 Å²	68.8	28%	0.28	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.8	173.1	-179.1	0	0	0	0	109.7	L94 H95	S40-L94 WeakPolarHBondContact CA-O 3.5Å; S40-H95 PolarHBondContact OG-CD2 2.86Å; S40-H95 PolarHBondContact OG-NE2 3.02Å
41	L	98.7	Very high	95.9	Very high	22 Å²	22	69 Å²	69	12%	0.115	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.7	174.4	-59.4	174.3	0	0	0	108.6	L31 W55 S93 L94 Y107	L31-L41 HydrophobicContact CD2-CD2 4.41Å; L41-W55 HydrophobicContact CB-CH2 3.73Å; L41-W55 HydrophobicContact CB-CZ2 4.44Å; L41-W55 HydrophobicContact CB-CZ3 4.06Å; L41-W55 HydrophobicContact CD1-CZ3 4.27Å; L41-S93 CarbonylContact O-C 3.59Å; L41-S93 WeakPolarHBondContact O-CA 3.38Å; L41-S93 WeakPolarHBondContact O-CB 3.46Å; L41-L94 HydrophobicContact CB-CB 4.41Å; L41-L94 HydrophobicContact CD1-CD2 4.37Å; L41-L94 PolarHBondContact N-O 2.76Å; L41-L94 PolarHBondContact O-N 2.93Å; L41-Y107 VanDerWaalsContact CD1-CB 3.41Å; L41-Y107 HydrophobicContact CD1-CD1 3.99Å; L41-Y107 HydrophobicContact CD1-CD2 4.11Å; L41-Y107 HydrophobicContact CD1-CG 3.59Å
42	N	98.6	Very high	95.8	Very high	46 Å²	46	68.7 Å²	68.7	25%	0.246	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.9	-177.5	-66.3	-83.3	0	0	0	109.8	Q26 S27 H91	Q26-N42 CarbonylContact C-O 3.52Å; Q26-N42 VanDerWaalsContact CA-O 3.27Å; Q26-N42 WeakPolarHBondContact CA-O 3.3Å; S27-N42 PolarHBondContact N-O 2.93Å; S27-N42 WeakPolarHBondContact O-CB 3.35Å; S27-N42 PolarHBondContact O-N 2.88Å; N42-H91 PolarHBondContact OD1-CE1 2.91Å; N42-H91 PolarHBondContact OD1-NE2 2.02Å
43	C	98.3	Very high	95.8	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	126.9	175.1	175.1	0	0	0	0	109.4	Q25 Q26 W55 H91 V92 C109	Q25-C43 CarbonylContact O-C 3.54Å; Q25-C43 VanDerWaalsContact O-CA 3.3Å; Q25-C43 WeakPolarHBondContact O-CA 3.33Å; Q26-C43 HydrophobicContact CG-CB 4.3Å; C43-W55 HydrophobicContact CB-CH2 3.82Å; C43-W55 HydrophobicContact CB-CZ2 3.72Å; C43-H91 CarbonylContact O-C 3.58Å; C43-H91 WeakPolarHBondContact O-CA 3.47Å; C43-V92 HydrophobicContact CB-CG1 3.71Å; C43-V92 PolarHBondContact N-O 2.93Å; C43-V92 PolarHBondContact O-N 3.47Å; C43-V92 VanDerWaalsContact O-O 3.11Å; C43-C109 HydrophobicContact CB-CB 3.43Å; C43-C109 VanDerWaalsContact CB-CB 3.43Å; C43-C109 WeakPolarHBondContact CB-SG 3.32Å; C43-C109 WeakPolarHBondContact SG-CB 3.44Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 3.46Å
44	T	97.5	Very high	95.8	Very high	60 Å²	60	64.4 Å²	64.4	37%	0.368	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.6	169	53.8	0	0	0	0	109.6	V24 Q25 L90 H91	V24-T44 CarbonylContact C-O 3.54Å; V24-T44 WeakPolarHBondContact CA-O 3.41Å; Q25-T44 PolarHBondContact N-O 2.82Å; Q25-T44 PolarHBondContact O-N 3.05Å; T44-L90 CarbonylContact C-O 3.59Å; T44-L90 VanDerWaalsContact CA-O 3.28Å; T44-L90 WeakPolarHBondContact CA-O 3.38Å; T44-H91 HydrophobicContact CG2-CB 4.08Å
45	S	95.4	Very high	95.8	Very high	10 Å²	10	59.7 Å²	59.7	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148	170.3	-169.6	0	0	0	0	111.5	K23 D47 L90	K23-S45 CarbonylContact O-C 3.52Å; K23-S45 WeakPolarHBondContact O-CA 3.46Å; K23-S45 WeakPolarHBondContact O-CB 3.33Å; K23-S45 PolarHBondContact O-OG 3.31Å; S45-D47 VanDerWaalsContact C-N 3.34Å; S45-D47 WeakPolarHBondContact OG-CB 3.36Å; S45-D47 PolarHBondContact OG-N 2.79Å; S45-L90 PolarHBondContact N-O 2.8Å; S45-L90 VanDerWaalsContact O-CB 3.23Å; S45-L90 WeakPolarHBondContact O-CB 3.48Å; S45-L90 WeakPolarHBondContact O-CD1 3.47Å
46	S	93.6	Very high	95.8	Very high	88 Å²	88	55.8 Å²	55.8	62%	0.615	29%	0.288	S	S	*	.	S	Bend	trans	-88.2	-6.3	165	62.9	0	0	0	0	112.5	K23	K23-S46 PolarHBondContact O-N 2.8Å; K23-S46 PolarHBondContact O-OG 3.48Å
47	D	90.4	Very high	95.8	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.102	28%	0.279	C	S	.	.			trans	-88.5	115.4	-177.7	-163.2	-20.5	0	0	0	110.7	K23 S45 N49 F50 V111	K23-D47 HydrophobicContact CD-CB 4.22Å; K23-D47 WeakPolarHBondContact CD-OD2 3.37Å; K23-D47 WeakPolarHBondContact CE-OD2 3.43Å; K23-D47 IonicContact NZ-OD2 3.24Å; K23-D47 PolarHBondContact NZ-OD2 2.94Å; S45-D47 VanDerWaalsContact C-N 3.34Å; S45-D47 WeakPolarHBondContact OG-CB 3.36Å; S45-D47 PolarHBondContact OG-N 2.79Å; D47-N49 PolarHBondContact OD1-N 3.06Å; D47-F50 VanDerWaalsContact O-CD1 3.32Å; D47-F50 WeakPolarHBondContact O-CD1 3.36Å; D47-V111 HydrophobicContact CB-CG2 4.31Å
48	R	89.3	Confident	95.8	Very high	215 Å²	215	58.2 Å²	58.2	81%	0.811	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14	177.5	-75.5	-176.5	178	156.5	1	113.5	F50 L90	R48-F50 VanDerWaalsContact C-N 3.34Å; R48-L90 HydrophobicContact CG-CD1 3.8Å; R48-L90 HydrophobicContact CG-CD2 4.45Å
49	N	90.1	Very high	95.8	Very high	120 Å²	120	54.6 Å²	54.6	64%	0.642	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	7.2	-178.2	-64.9	-20.6	0	0	0	112.4	D47 E113	D47-N49 PolarHBondContact OD1-N 3.06Å; N49-E113 HydrophobicContact CB-CG 4.43Å
50	F	89.5	Confident	95.6	Very high	22 Å²	22	60.3 Å²	60.3	10%	0.096	30%	0.301	C	S	.	.			trans	-59.1	140	177.9	83.3	-77.4	0	0	0	111.5	D47 R48 F53 L85 K87 L90 V111	D47-F50 VanDerWaalsContact O-CD1 3.32Å; D47-F50 WeakPolarHBondContact O-CD1 3.36Å; R48-F50 VanDerWaalsContact C-N 3.34Å; F50-F53 HydrophobicContact CD1-CE2 4.35Å; F50-F53 AromaticContact CD2-CD2 3.54Å; F50-F53 HydrophobicContact CD2-CD2 3.54Å; F50-F53 AromaticContact CD2-CE2 3.48Å; F50-F53 HydrophobicContact CD2-CE2 3.48Å; F50-F53 VanDerWaalsContact CD2-CE2 3.48Å; F50-F53 HydrophobicContact CD2-CZ 4.5Å; F50-F53 HydrophobicContact CE1-CE2 4.21Å; F50-F53 AromaticContact CE2-CD2 3.38Å; F50-F53 HydrophobicContact CE2-CD2 3.38Å; F50-F53 AromaticContact CE2-CE2 3.3Å; F50-F53 HydrophobicContact CE2-CE2 3.3Å; F50-F53 HydrophobicContact CG-CD2 4.45Å; F50-F53 HydrophobicContact CG-CE2 4.01Å; F50-F53 HydrophobicContact CZ-CD2 4.19Å; F50-F53 AromaticContact CZ-CE2 3.68Å; F50-F53 HydrophobicContact CZ-CE2 3.68Å; F50-L85 HydrophobicContact CE2-CD1 4.29Å; F50-L85 HydrophobicContact CE2-CD2 4.25Å; F50-L85 HydrophobicContact CZ-CD1 4.36Å; F50-K87 HydrophobicContact CZ-CB 4.4Å; F50-K87 HydrophobicContact CZ-CG 4.05Å; F50-L90 HydrophobicContact CD1-CD2 3.74Å; F50-L90 HydrophobicContact CE1-CD2 3.27Å; F50-L90 HydrophobicContact CZ-CD2 4.32Å; F50-V111 HydrophobicContact CB-CB 3.97Å; F50-V111 HydrophobicContact CB-CG1 4.13Å
51	Q	92.5	Very high	95.5	Very high	106 Å²	106	62.6 Å²	62.6	50%	0.495	33%	0.331	S	S	.	.			trans	-100.4	-38.3	167.9	-71.2	-170	30.6	0	0	111.7	F71 S112 E113	Q51-F71 WeakPolarHBondContact O-CB 3.15Å; Q51-S112 PolarHBondContact N-O 3.21Å; Q51-E113 WeakPolarHBondContact CG-OXT 2.94Å; Q51-E113 PolarHBondContact NE2-OXT 2.77Å
52	Y	95.1	Very high	95.4	Very high	84 Å²	84	65.7 Å²	65.7	33%	0.329	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.4	-175.2	-57.8	-96	0	0	0	111.4	W54 F71 V111 S112	Y52-W54 HydrophobicContact CG-CZ2 4.48Å; Y52-F71 HydrophobicContact CD1-CB 3.58Å; Y52-F71 HydrophobicContact CD1-CD1 4.4Å; Y52-F71 HydrophobicContact CD1-CG 4.31Å; Y52-F71 HydrophobicContact CE1-CB 3.7Å; Y52-F71 HydrophobicContact CE1-CD1 4.07Å; Y52-F71 HydrophobicContact CE1-CG 4.02Å; Y52-F71 HydrophobicContact CG-CB 4.29Å; Y52-V111 VanDerWaalsContact O-CA 3.3Å; Y52-V111 WeakPolarHBondContact O-CA 3.06Å; Y52-S112 PolarHBondContact N-O 2.99Å; Y52-S112 PolarHBondContact O-N 2.66Å
53	F	97	Very high	95.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.2	157.8	-85.8	-87	0	0	0	109.9	F50 S69 I70 L85 L90 V92 A110 V111	F50-F53 HydrophobicContact CD1-CE2 4.35Å; F50-F53 AromaticContact CD2-CD2 3.54Å; F50-F53 HydrophobicContact CD2-CD2 3.54Å; F50-F53 AromaticContact CD2-CE2 3.48Å; F50-F53 HydrophobicContact CD2-CE2 3.48Å; F50-F53 VanDerWaalsContact CD2-CE2 3.48Å; F50-F53 HydrophobicContact CD2-CZ 4.5Å; F50-F53 HydrophobicContact CE1-CE2 4.21Å; F50-F53 AromaticContact CE2-CD2 3.38Å; F50-F53 HydrophobicContact CE2-CD2 3.38Å; F50-F53 AromaticContact CE2-CE2 3.3Å; F50-F53 HydrophobicContact CE2-CE2 3.3Å; F50-F53 HydrophobicContact CG-CD2 4.45Å; F50-F53 HydrophobicContact CG-CE2 4.01Å; F50-F53 HydrophobicContact CZ-CD2 4.19Å; F50-F53 AromaticContact CZ-CE2 3.68Å; F50-F53 HydrophobicContact CZ-CE2 3.68Å; F53-S69 CarbonylContact O-C 3.55Å; F53-S69 WeakPolarHBondContact O-CA 3.27Å; F53-I70 HydrophobicContact CB-CG2 3.95Å; F53-I70 PolarHBondContact N-O 3.29Å; F53-I70 PolarHBondContact O-N 2.99Å; F53-L85 HydrophobicContact CD2-CD1 3.48Å; F53-L85 VanDerWaalsContact CD2-CD1 3.48Å; F53-L85 HydrophobicContact CD2-CD2 4.4Å; F53-L85 HydrophobicContact CE2-CD1 3.63Å; F53-L85 HydrophobicContact CG-CD1 4.43Å; F53-L90 WeakPolarHBondContact CZ-O 3.17Å; F53-V92 HydrophobicContact CB-CB 4.22Å; F53-V92 HydrophobicContact CB-CG1 4.01Å; F53-V92 HydrophobicContact CB-CG2 4.33Å; F53-V92 HydrophobicContact CD1-CB 3.97Å; F53-V92 HydrophobicContact CD1-CG1 3.25Å; F53-V92 HydrophobicContact CD2-CB 4.36Å; F53-V92 HydrophobicContact CD2-CG1 4.5Å; F53-V92 HydrophobicContact CE1-CB 4.38Å; F53-V92 HydrophobicContact CE1-CG1 3.72Å; F53-V92 HydrophobicContact CG-CB 3.94Å; F53-V92 HydrophobicContact CG-CG1 3.68Å; F53-A110 WeakPolarHBondContact CA-O 3.3Å; F53-V111 HydrophobicContact CD1-CG1 3.49Å; F53-V111 VanDerWaalsContact CD1-CG1 3.49Å; F53-V111 HydrophobicContact CD2-CG1 4.29Å; F53-V111 HydrophobicContact CE1-CG1 3.24Å; F53-V111 HydrophobicContact CE2-CG1 4.06Å; F53-V111 HydrophobicContact CG-CG1 4.04Å; F53-V111 HydrophobicContact CZ-CG1 3.56Å
54	W	97.5	Very high	95.3	Very high	71 Å²	71	69.1 Å²	69.1	27%	0.269	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.1	178.9	-62.5	87.5	0	0	0	109.9	Y52 Y56 S69 C109 A110 S112	Y52-W54 HydrophobicContact CG-CZ2 4.48Å; W54-Y56 HydrophobicContact CB-CD2 4.14Å; W54-Y56 HydrophobicContact CB-CE2 3.45Å; W54-Y56 VanDerWaalsContact CB-CE2 3.45Å; W54-Y56 HydrophobicContact CG-CE2 4.25Å; W54-S69 VanDerWaalsContact CE3-CB 3.43Å; W54-S69 VanDerWaalsContact CZ3-CB 3.46Å; W54-C109 CarbonylContact O-C 3.45Å; W54-C109 VanDerWaalsContact O-CA 3.29Å; W54-C109 WeakPolarHBondContact O-CA 3.3Å; W54-A110 HydrophobicContact CB-CB 4.43Å; W54-A110 PolarHBondContact N-O 2.84Å; W54-A110 PolarHBondContact O-N 2.93Å; W54-S112 PolarHBondContact NE1-OG 2.95Å; W54-S112 VanDerWaalsContact NE1-OG 3.1Å
55	W	98.4	Very high	95.3	Very high	1 Å²	1	72 Å²	72	0%	0.004	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.8	163.3	-75.1	101.5	0	0	0	108.9	L41 C43 L67 M68 V92 L94 F108 C109	L41-W55 HydrophobicContact CB-CH2 3.73Å; L41-W55 HydrophobicContact CB-CZ2 4.44Å; L41-W55 HydrophobicContact CB-CZ3 4.06Å; L41-W55 HydrophobicContact CD1-CZ3 4.27Å; C43-W55 HydrophobicContact CB-CH2 3.82Å; C43-W55 HydrophobicContact CB-CZ2 3.72Å; W55-L67 WeakPolarHBondContact O-CA 3.25Å; W55-L67 WeakPolarHBondContact O-CB 3.41Å; W55-L67 PolarHBondContact O-N 2.82Å; W55-M68 PolarHBondContact N-O 3.4Å; W55-M68 PolarHBondContact O-N 2.81Å; W55-V92 HydrophobicContact CZ2-CG1 4.13Å; W55-L94 HydrophobicContact CB-CD2 4.17Å; W55-L94 HydrophobicContact CD2-CB 3.76Å; W55-L94 HydrophobicContact CD2-CD2 3.92Å; W55-L94 HydrophobicContact CD2-CG 4.4Å; W55-L94 VanDerWaalsContact CE2-CB 3.49Å; W55-L94 HydrophobicContact CE3-CB 4.36Å; W55-L94 HydrophobicContact CE3-CD2 4.09Å; W55-L94 HydrophobicContact CG-CB 4.05Å; W55-L94 HydrophobicContact CG-CD1 4.45Å; W55-L94 HydrophobicContact CG-CD2 3.96Å; W55-L94 HydrophobicContact CG-CG 4.39Å; W55-L94 HydrophobicContact CH2-CB 4.43Å; W55-L94 HydrophobicContact CZ2-CB 3.86Å; W55-F108 CarbonylContact C-O 3.55Å; W55-F108 WeakPolarHBondContact CA-O 3.46Å; W55-C109 HydrophobicContact CD2-CB 4.46Å; W55-C109 HydrophobicContact CE3-CB 4.11Å; W55-C109 HydrophobicContact CH2-CB 4.01Å; W55-C109 HydrophobicContact CZ2-CB 4.34Å; W55-C109 HydrophobicContact CZ3-CB 3.88Å
56	Y	98.4	Very high	95.4	Very high	70 Å²	70	74.6 Å²	74.6	28%	0.275	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.1	173.1	-64.6	-99.3	0	0	0	109.6	W54 P64 K65 A66 Y107 F108 A110	W54-Y56 HydrophobicContact CB-CD2 4.14Å; W54-Y56 HydrophobicContact CB-CE2 3.45Å; W54-Y56 VanDerWaalsContact CB-CE2 3.45Å; W54-Y56 HydrophobicContact CG-CE2 4.25Å; Y56-P64 HydrophobicContact CD1-CB 4.38Å; Y56-K65 CarbonylContact C-O 3.59Å; Y56-K65 VanDerWaalsContact CA-O 3.22Å; Y56-K65 WeakPolarHBondContact CA-O 3.06Å; Y56-A66 HydrophobicContact CD1-CB 4.25Å; Y56-A66 HydrophobicContact CE1-CB 4.01Å; Y56-Y107 VanDerWaalsContact O-CA 3.3Å; Y56-Y107 WeakPolarHBondContact O-CA 3.39Å; Y56-F108 PolarHBondContact N-O 2.91Å; Y56-F108 PolarHBondContact O-N 2.81Å; Y56-A110 HydrophobicContact CE2-CB 4.06Å
57	R	98.3	Very high	95.6	Very high	65 Å²	65	71.9 Å²	71.9	25%	0.245	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.7	172.6	-175.4	177	62.2	-177	-2.7	109.4	H59 K65 L67 D103 A105 L106 Y107	R57-H59 PolarHBondContact NE-CE1 3.31Å; R57-H59 VanDerWaalsContact NE-CE1 3.31Å; R57-K65 PolarHBondContact N-O 2.94Å; R57-K65 PolarHBondContact O-N 2.82Å; R57-L67 HydrophobicContact CB-CB 4.33Å; R57-D103 IonicContact NH1-OD1 2.7Å; R57-A105 HydrophobicContact CG-CB 3.47Å; R57-A105 VanDerWaalsContact CG-CB 3.47Å; R57-L106 CarbonylContact C-O 3.46Å; R57-L106 WeakPolarHBondContact CA-O 3.3Å; R57-Y107 HydrophobicContact CB-CD1 4.4Å; R57-Y107 HydrophobicContact CB-CE1 4.19Å; R57-Y107 WeakPolarHBondContact CD-OH 2.84Å; R57-Y107 HydrophobicContact CG-CE1 4.04Å; R57-Y107 HydrophobicContact CG-CE2 4.33Å
58	Q	98.5	Very high	95.9	Very high	49 Å²	49	71.3 Å²	71.3	23%	0.229	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	110.1	177.2	-175.5	-178.1	28.6	0	0	109.8	E62 P64 A105 L106 F108	Q58-E62 VanDerWaalsContact CG-O 3.25Å; Q58-E62 WeakPolarHBondContact CG-O 3.4Å; Q58-E62 PolarHBondContact NE2-O 2.85Å; Q58-P64 HydrophobicContact CB-CB 4.41Å; Q58-P64 HydrophobicContact CB-CG 4.35Å; Q58-P64 HydrophobicContact CG-CG 4.39Å; Q58-A105 WeakPolarHBondContact O-CB 3.43Å; Q58-L106 HydrophobicContact CB-CB 4.29Å; Q58-L106 PolarHBondContact N-O 2.88Å; Q58-L106 PolarHBondContact O-N 3.03Å; Q58-F108 HydrophobicContact CB-CD2 4.46Å; Q58-F108 HydrophobicContact CB-CE2 3.77Å; Q58-F108 VanDerWaalsContact OE1-CE2 3.24Å
59	H	97.8	Very high	96.3	Very high	48 Å²	48	62.2 Å²	62.2	22%	0.222	35%	0.352	C	S	.	.			trans	-75.2	154.8	168.1	-68.6	103.6	0	0	0	110.6	R57 G61 E62 S102	R57-H59 PolarHBondContact NE-CE1 3.31Å; R57-H59 VanDerWaalsContact NE-CE1 3.31Å; H59-G61 PolarHBondContact O-N 2.64Å; H59-E62 HydrophobicContact CB-CG 4.48Å; H59-E62 PolarHBondContact O-N 2.8Å; H59-S102 PolarHBondContact NE2-O 3.02Å
60	S	95.1	Very high	96.7	Very high	130 Å²	130	56.8 Å²	56.8	91%	0.909	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	129	179.8	-177	0	0	0	0	111.3	E62	S60-E62 VanDerWaalsContact C-N 3.28Å; S60-E62 PolarHBondContact O-N 2.94Å
61	G	96.2	Very high	97	Very high	88 Å²	88	61 Å²	61	91%	0.907	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-2.6	-179.1	0	0	0	0	0	115.2	H59	H59-G61 PolarHBondContact O-N 2.64Å
62	E	95.7	Very high	97.1	Very high	87 Å²	87	58.8 Å²	58.8	41%	0.407	34%	0.337	S	S	.	.	S	Bend	trans	-108.7	167.1	177.1	-60.5	-170.3	-165.9	0	0	112.2	Q58 H59 S60 K65	Q58-E62 VanDerWaalsContact CG-O 3.25Å; Q58-E62 WeakPolarHBondContact CG-O 3.4Å; Q58-E62 PolarHBondContact NE2-O 2.85Å; H59-E62 HydrophobicContact CB-CG 4.48Å; H59-E62 PolarHBondContact O-N 2.8Å; S60-E62 VanDerWaalsContact C-N 3.28Å; S60-E62 PolarHBondContact O-N 2.94Å; E62-K65 WeakPolarHBondContact OE2-CE 3.34Å; E62-K65 IonicContact OE2-NZ 3.91Å; E62-K65 PolarHBondContact OE2-NZ 3.39Å
63	G	96.3	Very high	97.2	Very high	44 Å²	44	59.8 Å²	59.8	45%	0.454	35%	0.348	S	S	.	.			trans	-81.2	159.8	168.3	0	0	0	0	0	112.4	K65	G63-K65 PolarHBondContact O-N 2.89Å
64	P	97.8	Very high	97.3	Very high	74 Å²	74	60.9 Å²	60.9	48%	0.481	36%	0.359	S	S	.	.			trans	-60.4	129.9	173.3	-20.8	32.6	0	0	0	111.7	Y56 Q58 F108	Y56-P64 HydrophobicContact CD1-CB 4.38Å; Q58-P64 HydrophobicContact CB-CB 4.41Å; Q58-P64 HydrophobicContact CB-CG 4.35Å; Q58-P64 HydrophobicContact CG-CG 4.39Å; P64-F108 HydrophobicContact CB-CD2 4.44Å; P64-F108 HydrophobicContact CG-CD2 4.49Å; P64-F108 HydrophobicContact CG-CE2 4.35Å
65	K	98.2	Very high	97.3	Very high	122 Å²	122	62 Å²	62	53%	0.53	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.4	176	-68.6	172.6	179.6	166.8	0	109.6	Y56 R57 E62 G63 L67	Y56-K65 CarbonylContact C-O 3.59Å; Y56-K65 VanDerWaalsContact CA-O 3.22Å; Y56-K65 WeakPolarHBondContact CA-O 3.06Å; R57-K65 PolarHBondContact N-O 2.94Å; R57-K65 PolarHBondContact O-N 2.82Å; E62-K65 WeakPolarHBondContact OE2-CE 3.34Å; E62-K65 IonicContact OE2-NZ 3.91Å; E62-K65 PolarHBondContact OE2-NZ 3.39Å; G63-K65 PolarHBondContact O-N 2.89Å; K65-L67 PolarHBondContact O-N 2.86Å
66	A	97.5	Very high	97.3	Very high	64 Å²	64	65.6 Å²	65.6	53%	0.529	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	124.7	175.3	0	0	0	0	0	109.2	Y56	Y56-A66 HydrophobicContact CD1-CB 4.25Å; Y56-A66 HydrophobicContact CE1-CB 4.01Å
67	L	97.9	Very high	97.3	Very high	31 Å²	31	69 Å²	69	16%	0.162	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-49.7	177.5	174.7	66.7	0	0	0	110.3	W55 R57 K65 F81 L94 Y107	W55-L67 WeakPolarHBondContact O-CA 3.25Å; W55-L67 WeakPolarHBondContact O-CB 3.41Å; W55-L67 PolarHBondContact O-N 2.82Å; R57-L67 HydrophobicContact CB-CB 4.33Å; K65-L67 PolarHBondContact O-N 2.86Å; L67-F81 HydrophobicContact CD1-CD1 4.25Å; L67-F81 HydrophobicContact CD1-CD2 4.39Å; L67-F81 HydrophobicContact CD1-CE1 4.11Å; L67-F81 HydrophobicContact CD1-CE2 4.25Å; L67-F81 HydrophobicContact CD1-CG 4.41Å; L67-F81 HydrophobicContact CD1-CZ 4.13Å; L67-F81 HydrophobicContact CD2-CD1 3.86Å; L67-F81 HydrophobicContact CD2-CE1 3.95Å; L67-F81 HydrophobicContact CG-CD1 4.41Å; L67-L94 HydrophobicContact CD2-CD1 4.48Å; L67-L94 HydrophobicContact CD2-CD2 3.78Å; L67-Y107 HydrophobicContact CD2-CD1 4.1Å; L67-Y107 HydrophobicContact CD2-CE1 3.67Å
68	M	97.1	Very high	97.2	Very high	6 Å²	6	71 Å²	71	3%	0.03	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	147.2	-177.7	-176.2	166.8	38.8	0	0	110.4	W55 K76 E78 F81 A83 L94	W55-M68 PolarHBondContact N-O 3.4Å; W55-M68 PolarHBondContact O-N 2.81Å; M68-K76 HydrophobicContact CG-CD 4.13Å; M68-K76 HydrophobicContact SD-CB 4.47Å; M68-K76 HydrophobicContact SD-CD 4.26Å; M68-K76 HydrophobicContact SD-CG 4.36Å; M68-E78 HydrophobicContact SD-CB 4.46Å; M68-F81 HydrophobicContact CE-CB 4.03Å; M68-A83 HydrophobicContact CE-CB 3.45Å; M68-A83 VanDerWaalsContact CE-CB 3.45Å; M68-A83 VanDerWaalsContact CE-N 3.3Å; M68-A83 HydrophobicContact SD-CB 3.88Å; M68-L94 HydrophobicContact CE-CD1 3.25Å
69	S	97.1	Very high	97.2	Very high	25 Å²	25	71.8 Å²	71.8	18%	0.175	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.5	168.9	63.3	0	0	0	0	111.8	F53 W54 K76	F53-S69 CarbonylContact O-C 3.55Å; F53-S69 WeakPolarHBondContact O-CA 3.27Å; W54-S69 VanDerWaalsContact CE3-CB 3.43Å; W54-S69 VanDerWaalsContact CZ3-CB 3.46Å; S69-K76 WeakPolarHBondContact O-CD 3.45Å; S69-K76 WeakPolarHBondContact O-CE 3.39Å; S69-K76 PolarHBondContact O-NZ 3.08Å
70	I	98.2	Very high	97.2	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.031	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	138.5	177.1	-171.2	167	0	0	0	109.9	F53 S72 G74 K76 A83 L85 V92	F53-I70 HydrophobicContact CB-CG2 3.95Å; F53-I70 PolarHBondContact N-O 3.29Å; F53-I70 PolarHBondContact O-N 2.99Å; I70-S72 WeakPolarHBondContact CG1-O 3.48Å; I70-G74 WeakPolarHBondContact CD1-O 3.31Å; I70-K76 HydrophobicContact CD1-CB 3.75Å; I70-K76 HydrophobicContact CG1-CB 4.16Å; I70-A83 HydrophobicContact CB-CB 4.31Å; I70-A83 HydrophobicContact CD1-CB 4.16Å; I70-A83 HydrophobicContact CG2-CB 4.05Å; I70-L85 HydrophobicContact CD1-CB 3.75Å; I70-L85 HydrophobicContact CG1-CB 4.05Å; I70-L85 HydrophobicContact CG1-CD2 4.3Å; I70-L85 HydrophobicContact CG2-CB 4.06Å; I70-L85 HydrophobicContact CG2-CD2 4.31Å; I70-V92 HydrophobicContact CG2-CG2 3.81Å
71	F	96	Very high	97.4	Very high	111 Å²	111	66.9 Å²	66.9	49%	0.487	40%	0.396	S	S	.	.			trans	-131.9	-15.6	-177.4	68.5	-88.3	0	0	0	113.1	Q51 Y52 K87	Q51-F71 WeakPolarHBondContact O-CB 3.15Å; Y52-F71 HydrophobicContact CD1-CB 3.58Å; Y52-F71 HydrophobicContact CD1-CD1 4.4Å; Y52-F71 HydrophobicContact CD1-CG 4.31Å; Y52-F71 HydrophobicContact CE1-CB 3.7Å; Y52-F71 HydrophobicContact CE1-CD1 4.07Å; Y52-F71 HydrophobicContact CE1-CG 4.02Å; Y52-F71 HydrophobicContact CG-CB 4.29Å; F71-K87 WeakPolarHBondContact O-CE 3.5Å; F71-K87 PolarHBondContact O-NZ 2.84Å
72	S	96	Very high	97.5	Very high	59 Å²	59	63.3 Å²	63.3	41%	0.413	36%	0.357	S	S	.	.	S	Bend	trans	-105	145.7	178.1	-68.2	0	0	0	0	109.8	I70	I70-S72 WeakPolarHBondContact CG1-O 3.48Å
73	D	96.8	Very high	97.6	Very high	105 Å²	105	59.1 Å²	59.1	56%	0.561	34%	0.337	S	S	*	.	S	Bend	trans	-59.9	144	175.4	-155.9	59.1	0	0	0	110.6	L85 N86 K87	D73-L85 VanDerWaalsContact OD1-O 3.1Å; D73-N86 VanDerWaalsContact OD1-CA 3.27Å; D73-N86 WeakPolarHBondContact OD1-CA 3.28Å; D73-K87 HydrophobicContact CB-CG 4.26Å; D73-K87 PolarHBondContact OD1-N 3.18Å
74	G	98.1	Very high	97.7	Very high	22 Å²	22	60.5 Å²	60.5	23%	0.227	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.2	-150.8	-176.9	0	0	0	0	0	114	I70 H84 L85	I70-G74 WeakPolarHBondContact CD1-O 3.31Å; G74-H84 WeakPolarHBondContact O-CA 3.39Å; G74-L85 PolarHBondContact N-O 3.09Å; G74-L85 PolarHBondContact O-N 2.87Å
75	D	98.2	Very high	97.8	Very high	95 Å²	95	57 Å²	57	51%	0.508	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	-169.4	-71.3	-0.1	0	0	0	112.7	T82 A83 H84	D75-T82 HydrophobicContact CB-CG2 4.41Å; D75-A83 CarbonylContact C-O 3.57Å; D75-A83 WeakPolarHBondContact CA-O 3.2Å; D75-H84 IonicContact OD1-CE1 3.96Å; D75-H84 IonicContact OD1-CG 2.93Å; D75-H84 IonicContact OD1-ND1 3.88Å; D75-H84 PolarHBondContact OD1-ND1 2.96Å
76	K	98.3	Very high	97.7	Very high	77 Å²	77	53.9 Å²	53.9	34%	0.335	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.1	159.6	-172.6	-172.9	-178.5	-171	0	109.2	M68 S69 I70 T82 A83	M68-K76 HydrophobicContact CG-CD 4.13Å; M68-K76 HydrophobicContact SD-CB 4.47Å; M68-K76 HydrophobicContact SD-CD 4.26Å; M68-K76 HydrophobicContact SD-CG 4.36Å; S69-K76 WeakPolarHBondContact O-CD 3.45Å; S69-K76 WeakPolarHBondContact O-CE 3.39Å; S69-K76 PolarHBondContact O-NZ 3.08Å; I70-K76 HydrophobicContact CD1-CB 3.75Å; I70-K76 HydrophobicContact CG1-CB 4.16Å; K76-T82 CarbonylContact O-C 3.5Å; K76-T82 VanDerWaalsContact O-CA 3.31Å; K76-T82 WeakPolarHBondContact O-CA 3.26Å; K76-A83 PolarHBondContact N-O 2.86Å; K76-A83 PolarHBondContact O-N 2.84Å
77	K	98.1	Very high	97.7	Very high	142 Å²	142	55.2 Å²	55.2	62%	0.617	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.9	-178.8	-61.2	-175.8	178.1	171.1	0	110.5	T82	K77-T82 HydrophobicContact CG-CG2 3.85Å
78	E	97.3	Very high	97.5	Very high	107 Å²	107	58.5 Å²	58.5	50%	0.5	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	99.7	175.2	-167.5	164.4	174	0	0	109.2	M68 R80 F81	M68-E78 HydrophobicContact SD-CB 4.46Å; E78-R80 PolarHBondContact O-N 3.11Å; E78-F81 PolarHBondContact N-O 2.95Å; E78-F81 WeakPolarHBondContact O-CB 3.41Å; E78-F81 PolarHBondContact O-N 2.68Å
79	G	97.2	Very high	97.5	Very high	65 Å²	65	61.3 Å²	61.3	67%	0.67	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-118.4	-172.3	0	0	0	0	0	112.7	F81 R97	G79-F81 VanDerWaalsContact C-N 3.34Å; G79-R97 PolarHBondContact O-NH2 3.03Å; G79-R97 VanDerWaalsContact O-NH2 3.11Å
80	R	97.9	Very high	97.5	Very high	47 Å²	47	61.2 Å²	61.2	18%	0.177	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.2	178.2	-66.6	-168.7	-60.4	102	-1.2	113.5	E78 R97 D98 D103	E78-R80 PolarHBondContact O-N 3.11Å; R80-R97 WeakPolarHBondContact CB-O 3.48Å; R80-R97 WeakPolarHBondContact CD-O 3.01Å; R80-R97 PolarHBondContact NH1-O 3Å; R80-R97 PolarHBondContact O-N 2.79Å; R80-D98 PolarHBondContact NH1-O 2.81Å; R80-D103 IonicContact CZ-OD1 3.27Å; R80-D103 IonicContact CZ-OD2 2.68Å; R80-D103 VanDerWaalsContact CZ-OD2 3.27Å; R80-D103 IonicContact NH1-OD1 2.75Å; R80-D103 IonicContact NH1-OD2 3.78Å; R80-D103 PolarHBondContact NH1-OD2 3.1Å; R80-D103 VanDerWaalsContact NH2-CG 3.29Å; R80-D103 IonicContact NH2-OD1 2.88Å; R80-D103 PolarHBondContact NH2-OD1 3.17Å; R80-D103 IonicContact NH2-OD2 3.45Å; R80-D103 PolarHBondContact NH2-OD2 2.7Å
81	F	98.6	Very high	97.4	Very high	28 Å²	28	63 Å²	63	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.1	-177.6	-56.8	-86.6	0	0	0	111.2	L67 M68 E78 G79 L94 H95 I96	L67-F81 HydrophobicContact CD1-CD1 4.25Å; L67-F81 HydrophobicContact CD1-CD2 4.39Å; L67-F81 HydrophobicContact CD1-CE1 4.11Å; L67-F81 HydrophobicContact CD1-CE2 4.25Å; L67-F81 HydrophobicContact CD1-CG 4.41Å; L67-F81 HydrophobicContact CD1-CZ 4.13Å; L67-F81 HydrophobicContact CD2-CD1 3.86Å; L67-F81 HydrophobicContact CD2-CE1 3.95Å; L67-F81 HydrophobicContact CG-CD1 4.41Å; M68-F81 HydrophobicContact CE-CB 4.03Å; E78-F81 PolarHBondContact N-O 2.95Å; E78-F81 WeakPolarHBondContact O-CB 3.41Å; E78-F81 PolarHBondContact O-N 2.68Å; G79-F81 VanDerWaalsContact C-N 3.34Å; F81-L94 HydrophobicContact CB-CD1 4.38Å; F81-L94 HydrophobicContact CD1-CD1 4.36Å; F81-H95 CarbonylContact C-O 3.55Å; F81-H95 WeakPolarHBondContact CA-O 3.49Å; F81-I96 HydrophobicContact CD1-CB 4.4Å; F81-I96 HydrophobicContact CD1-CD1 4.23Å; F81-I96 HydrophobicContact CD1-CG1 3.75Å; F81-I96 HydrophobicContact CD1-CG2 4.14Å; F81-I96 HydrophobicContact CE1-CB 4.35Å; F81-I96 HydrophobicContact CE1-CD1 3.8Å; F81-I96 HydrophobicContact CE1-CG1 3.77Å; F81-I96 HydrophobicContact CE1-CG2 3.78Å; F81-I96 HydrophobicContact CZ-CG2 4.3Å
82	T	98.7	Very high	97.6	Very high	12 Å²	12	57.7 Å²	57.7	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	122.1	172.6	-59.7	0	0	0	0	109	D75 K76 K77 L94 H95	D75-T82 HydrophobicContact CB-CG2 4.41Å; K76-T82 CarbonylContact O-C 3.5Å; K76-T82 VanDerWaalsContact O-CA 3.31Å; K76-T82 WeakPolarHBondContact O-CA 3.26Å; K77-T82 HydrophobicContact CG-CG2 3.85Å; T82-L94 CarbonylContact O-C 3.52Å; T82-L94 WeakPolarHBondContact O-CA 3.43Å; T82-H95 PolarHBondContact N-O 2.88Å; T82-H95 PolarHBondContact O-N 3.39Å
83	A	98.6	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.7	167.2	0	0	0	0	0	108.8	M68 I70 D75 K76 V92 S93	M68-A83 HydrophobicContact CE-CB 3.45Å; M68-A83 VanDerWaalsContact CE-CB 3.45Å; M68-A83 VanDerWaalsContact CE-N 3.3Å; M68-A83 HydrophobicContact SD-CB 3.88Å; I70-A83 HydrophobicContact CB-CB 4.31Å; I70-A83 HydrophobicContact CD1-CB 4.16Å; I70-A83 HydrophobicContact CG2-CB 4.05Å; D75-A83 CarbonylContact C-O 3.57Å; D75-A83 WeakPolarHBondContact CA-O 3.2Å; K76-A83 PolarHBondContact N-O 2.86Å; K76-A83 PolarHBondContact O-N 2.84Å; A83-V92 HydrophobicContact CB-CG2 4.32Å; A83-S93 CarbonylContact C-O 3.54Å; A83-S93 WeakPolarHBondContact CA-O 3.27Å
84	H	98.5	Very high	97.8	Very high	72 Å²	72	50.2 Å²	50.2	33%	0.333	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.4	170.5	176.9	79.9	0	0	0	108.7	G74 D75 V92 S93	G74-H84 WeakPolarHBondContact O-CA 3.39Å; D75-H84 IonicContact OD1-CE1 3.96Å; D75-H84 IonicContact OD1-CG 2.93Å; D75-H84 IonicContact OD1-ND1 3.88Å; D75-H84 PolarHBondContact OD1-ND1 2.96Å; H84-V92 CarbonylContact O-C 3.57Å; H84-V92 VanDerWaalsContact O-CA 3.26Å; H84-V92 WeakPolarHBondContact O-CA 2.93Å; H84-S93 PolarHBondContact N-O 2.92Å; H84-S93 PolarHBondContact O-N 3.02Å
85	L	98.5	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.4	178.1	173.7	58.7	0	0	0	109.8	F50 F53 I70 D73 G74 K87 H91 V92	F50-L85 HydrophobicContact CE2-CD1 4.29Å; F50-L85 HydrophobicContact CE2-CD2 4.25Å; F50-L85 HydrophobicContact CZ-CD1 4.36Å; F53-L85 HydrophobicContact CD2-CD1 3.48Å; F53-L85 VanDerWaalsContact CD2-CD1 3.48Å; F53-L85 HydrophobicContact CD2-CD2 4.4Å; F53-L85 HydrophobicContact CE2-CD1 3.63Å; F53-L85 HydrophobicContact CG-CD1 4.43Å; I70-L85 HydrophobicContact CD1-CB 3.75Å; I70-L85 HydrophobicContact CG1-CB 4.05Å; I70-L85 HydrophobicContact CG1-CD2 4.3Å; I70-L85 HydrophobicContact CG2-CB 4.06Å; I70-L85 HydrophobicContact CG2-CD2 4.31Å; D73-L85 VanDerWaalsContact OD1-O 3.1Å; G74-L85 PolarHBondContact N-O 3.09Å; G74-L85 PolarHBondContact O-N 2.87Å; L85-K87 HydrophobicContact CD2-CG 4.09Å; L85-K87 HydrophobicContact CG-CG 4.13Å; L85-H91 WeakPolarHBondContact CD1-O 3.18Å; L85-V92 HydrophobicContact CB-CG2 4.47Å; L85-V92 HydrophobicContact CD1-CB 4.29Å
86	N	97.9	Very high	97.8	Very high	58 Å²	58	47.6 Å²	47.6	31%	0.31	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	105.8	162.3	-176.4	-41.6	0	0	0	109	D73 A88 S89 L90 H91	D73-N86 VanDerWaalsContact OD1-CA 3.27Å; D73-N86 WeakPolarHBondContact OD1-CA 3.28Å; N86-A88 WeakPolarHBondContact OD1-CB 3.29Å; N86-A88 PolarHBondContact OD1-N 2.81Å; N86-S89 WeakPolarHBondContact CB-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.81Å; N86-S89 PolarHBondContact OD1-OG 3.22Å; N86-L90 PolarHBondContact O-N 3.18Å; N86-L90 VanDerWaalsContact O-N 3.13Å; N86-H91 PolarHBondContact N-O 3.22Å; N86-H91 PolarHBondContact O-N 2.87Å
87	K	95.6	Very high	97.8	Very high	92 Å²	92	50 Å²	50	40%	0.4	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-37.1	-179.3	-69.4	-162.6	168.7	-173.1	0	112.8	F50 F71 D73 L85 S89 L90	F50-K87 HydrophobicContact CZ-CB 4.4Å; F50-K87 HydrophobicContact CZ-CG 4.05Å; F71-K87 WeakPolarHBondContact O-CE 3.5Å; F71-K87 PolarHBondContact O-NZ 2.84Å; D73-K87 HydrophobicContact CB-CG 4.26Å; D73-K87 PolarHBondContact OD1-N 3.18Å; L85-K87 HydrophobicContact CD2-CG 4.09Å; L85-K87 HydrophobicContact CG-CG 4.13Å; K87-S89 VanDerWaalsContact C-N 3.29Å; K87-S89 PolarHBondContact O-N 2.89Å; K87-L90 WeakPolarHBondContact O-CD2 3.17Å; K87-L90 PolarHBondContact O-N 2.79Å
88	A	95.4	Very high	97.8	Very high	100 Å²	100	47.4 Å²	47.4	83%	0.826	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-37.3	-176.7	0	0	0	0	0	111.7	N86	N86-A88 WeakPolarHBondContact OD1-CB 3.29Å; N86-A88 PolarHBondContact OD1-N 2.81Å
89	S	96.2	Very high	97.9	Very high	65 Å²	65	42.8 Å²	42.8	46%	0.455	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.8	176.6	62.6	0	0	0	0	114.4	N86 K87 H91	N86-S89 WeakPolarHBondContact CB-OG 3.22Å; N86-S89 PolarHBondContact OD1-N 2.81Å; N86-S89 PolarHBondContact OD1-OG 3.22Å; K87-S89 VanDerWaalsContact C-N 3.29Å; K87-S89 PolarHBondContact O-N 2.89Å; S89-H91 PolarHBondContact O-N 2.82Å; S89-H91 WeakPolarHBondContact OG-CB 3.36Å
90	L	96.5	Very high	97.9	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.12	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.8	-174.8	-50.7	176.5	0	0	0	112.4	T44 S45 R48 F50 F53 N86 K87	T44-L90 CarbonylContact C-O 3.59Å; T44-L90 VanDerWaalsContact CA-O 3.28Å; T44-L90 WeakPolarHBondContact CA-O 3.38Å; S45-L90 PolarHBondContact N-O 2.8Å; S45-L90 VanDerWaalsContact O-CB 3.23Å; S45-L90 WeakPolarHBondContact O-CB 3.48Å; S45-L90 WeakPolarHBondContact O-CD1 3.47Å; R48-L90 HydrophobicContact CG-CD1 3.8Å; R48-L90 HydrophobicContact CG-CD2 4.45Å; F50-L90 HydrophobicContact CD1-CD2 3.74Å; F50-L90 HydrophobicContact CE1-CD2 3.27Å; F50-L90 HydrophobicContact CZ-CD2 4.32Å; F53-L90 WeakPolarHBondContact CZ-O 3.17Å; N86-L90 PolarHBondContact O-N 3.18Å; N86-L90 VanDerWaalsContact O-N 3.13Å; K87-L90 WeakPolarHBondContact O-CD2 3.17Å; K87-L90 PolarHBondContact O-N 2.79Å
91	H	98	Very high	97.9	Very high	43 Å²	43	45.2 Å²	45.2	20%	0.199	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133	-173	172.6	-91	0	0	0	109.9	N42 C43 T44 L85 N86 S89	N42-H91 PolarHBondContact OD1-CE1 2.91Å; N42-H91 PolarHBondContact OD1-NE2 2.02Å; C43-H91 CarbonylContact O-C 3.58Å; C43-H91 WeakPolarHBondContact O-CA 3.47Å; T44-H91 HydrophobicContact CG2-CB 4.08Å; L85-H91 WeakPolarHBondContact CD1-O 3.18Å; N86-H91 PolarHBondContact N-O 3.22Å; N86-H91 PolarHBondContact O-N 2.87Å; S89-H91 PolarHBondContact O-N 2.82Å; S89-H91 WeakPolarHBondContact OG-CB 3.36Å
92	V	98.4	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138	167.3	69.8	0	0	0	0	109.2	C43 F53 W55 I70 A83 H84 L85	C43-V92 HydrophobicContact CB-CG1 3.71Å; C43-V92 PolarHBondContact N-O 2.93Å; C43-V92 PolarHBondContact O-N 3.47Å; C43-V92 VanDerWaalsContact O-O 3.11Å; F53-V92 HydrophobicContact CB-CB 4.22Å; F53-V92 HydrophobicContact CB-CG1 4.01Å; F53-V92 HydrophobicContact CB-CG2 4.33Å; F53-V92 HydrophobicContact CD1-CB 3.97Å; F53-V92 HydrophobicContact CD1-CG1 3.25Å; F53-V92 HydrophobicContact CD2-CB 4.36Å; F53-V92 HydrophobicContact CD2-CG1 4.5Å; F53-V92 HydrophobicContact CE1-CB 4.38Å; F53-V92 HydrophobicContact CE1-CG1 3.72Å; F53-V92 HydrophobicContact CG-CB 3.94Å; F53-V92 HydrophobicContact CG-CG1 3.68Å; W55-V92 HydrophobicContact CZ2-CG1 4.13Å; I70-V92 HydrophobicContact CG2-CG2 3.81Å; A83-V92 HydrophobicContact CB-CG2 4.32Å; H84-V92 CarbonylContact O-C 3.57Å; H84-V92 VanDerWaalsContact O-CA 3.26Å; H84-V92 WeakPolarHBondContact O-CA 2.93Å; L85-V92 HydrophobicContact CB-CG2 4.47Å; L85-V92 HydrophobicContact CD1-CB 4.29Å
93	S	98.6	Very high	97.8	Very high	6 Å²	6	47 Å²	47	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.4	167	54.2	0	0	0	0	110.6	L41 A83 H84	L41-S93 CarbonylContact O-C 3.59Å; L41-S93 WeakPolarHBondContact O-CA 3.38Å; L41-S93 WeakPolarHBondContact O-CB 3.46Å; A83-S93 CarbonylContact C-O 3.54Å; A83-S93 WeakPolarHBondContact CA-O 3.27Å; H84-S93 PolarHBondContact N-O 2.92Å; H84-S93 PolarHBondContact O-N 3.02Å
94	L	98.8	Very high	97.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.9	170.2	175.6	68	0	0	0	108.7	S40 L41 W55 L67 M68 F81 T82 I96 Y107	S40-L94 WeakPolarHBondContact CA-O 3.5Å; L41-L94 HydrophobicContact CB-CB 4.41Å; L41-L94 HydrophobicContact CD1-CD2 4.37Å; L41-L94 PolarHBondContact N-O 2.76Å; L41-L94 PolarHBondContact O-N 2.93Å; W55-L94 HydrophobicContact CB-CD2 4.17Å; W55-L94 HydrophobicContact CD2-CB 3.76Å; W55-L94 HydrophobicContact CD2-CD2 3.92Å; W55-L94 HydrophobicContact CD2-CG 4.4Å; W55-L94 VanDerWaalsContact CE2-CB 3.49Å; W55-L94 HydrophobicContact CE3-CB 4.36Å; W55-L94 HydrophobicContact CE3-CD2 4.09Å; W55-L94 HydrophobicContact CG-CB 4.05Å; W55-L94 HydrophobicContact CG-CD1 4.45Å; W55-L94 HydrophobicContact CG-CD2 3.96Å; W55-L94 HydrophobicContact CG-CG 4.39Å; W55-L94 HydrophobicContact CH2-CB 4.43Å; W55-L94 HydrophobicContact CZ2-CB 3.86Å; L67-L94 HydrophobicContact CD2-CD1 4.48Å; L67-L94 HydrophobicContact CD2-CD2 3.78Å; M68-L94 HydrophobicContact CE-CD1 3.25Å; F81-L94 HydrophobicContact CB-CD1 4.38Å; F81-L94 HydrophobicContact CD1-CD1 4.36Å; T82-L94 CarbonylContact O-C 3.52Å; T82-L94 WeakPolarHBondContact O-CA 3.43Å; L94-I96 HydrophobicContact CG-CG1 4.44Å; L94-Y107 HydrophobicContact CD2-CD1 3.75Å; L94-Y107 HydrophobicContact CD2-CE1 4.01Å
95	H	98.7	Very high	97.7	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.269	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.2	175.8	-63.1	178.1	0	0	0	110	A39 S40 F81 T82	A39-H95 VanDerWaalsContact O-CA 3.3Å; A39-H95 WeakPolarHBondContact O-CA 3.43Å; S40-H95 PolarHBondContact OG-CD2 2.86Å; S40-H95 PolarHBondContact OG-NE2 3.02Å; F81-H95 CarbonylContact C-O 3.55Å; F81-H95 WeakPolarHBondContact CA-O 3.49Å; T82-H95 PolarHBondContact N-O 2.88Å; T82-H95 PolarHBondContact O-N 3.39Å
96	I	98.6	Very high	97.7	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.2	175.8	-45.4	175.6	0	0	0	106.8	M38 A39 F81 L94 Y107	M38-I96 CarbonylContact C-O 3.55Å; M38-I96 WeakPolarHBondContact CA-O 3.39Å; A39-I96 HydrophobicContact CB-CB 4.07Å; A39-I96 HydrophobicContact CB-CD1 4.31Å; A39-I96 HydrophobicContact CB-CG1 4.31Å; A39-I96 PolarHBondContact N-O 3.03Å; A39-I96 PolarHBondContact O-N 2.89Å; F81-I96 HydrophobicContact CD1-CB 4.4Å; F81-I96 HydrophobicContact CD1-CD1 4.23Å; F81-I96 HydrophobicContact CD1-CG1 3.75Å; F81-I96 HydrophobicContact CD1-CG2 4.14Å; F81-I96 HydrophobicContact CE1-CB 4.35Å; F81-I96 HydrophobicContact CE1-CD1 3.8Å; F81-I96 HydrophobicContact CE1-CG1 3.77Å; F81-I96 HydrophobicContact CE1-CG2 3.78Å; F81-I96 HydrophobicContact CZ-CG2 4.3Å; L94-I96 HydrophobicContact CG-CG1 4.44Å; I96-Y107 HydrophobicContact CD1-CE1 3.83Å; I96-Y107 HydrophobicContact CD1-CE2 4.5Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.33Å
97	R	98.4	Very high	97.7	Very high	127 Å²	127	53.4 Å²	53.4	48%	0.479	31%	0.305	S	S	.	.	S	Bend	trans	-86.4	155.9	176	-61.9	179.2	-66.3	147.5	2.9	110	G79 R80 S99	G79-R97 PolarHBondContact O-NH2 3.03Å; G79-R97 VanDerWaalsContact O-NH2 3.11Å; R80-R97 WeakPolarHBondContact CB-O 3.48Å; R80-R97 WeakPolarHBondContact CD-O 3.01Å; R80-R97 PolarHBondContact NH1-O 3Å; R80-R97 PolarHBondContact O-N 2.79Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 PolarHBondContact O-N 3.13Å
98	D	98.3	Very high	97.8	Very high	87 Å²	87	52.7 Å²	52.7	47%	0.465	30%	0.302	S	S	.	.	S	Bend	trans	50.2	55.4	175.2	178.2	47.8	0	0	0	110.3	G37 R80 Q100	G37-D98 PolarHBondContact O-N 2.93Å; R80-D98 PolarHBondContact NH1-O 2.81Å; D98-Q100 WeakPolarHBondContact O-CG 3.47Å; D98-Q100 PolarHBondContact O-N 3.4Å
99	S	98.5	Very high	97.9	Very high	10 Å²	10	48.3 Å²	48.3	7%	0.07	27%	0.265	C	S	.	.			trans	-56.6	132.9	-173.9	-71.5	0	0	0	0	111.4	E35 G36 G37 R97	E35-S99 CarbonylContact C-O 3.56Å; E35-S99 WeakPolarHBondContact CA-O 3.23Å; G36-S99 PolarHBondContact N-O 2.88Å; G37-S99 PolarHBondContact O-N 2.9Å; G37-S99 PolarHBondContact O-OG 3.03Å; R97-S99 VanDerWaalsContact C-N 3.31Å; R97-S99 PolarHBondContact O-N 3.13Å
100	Q	98.2	Very high	97.9	Very high	78 Å²	78	46.7 Å²	46.7	36%	0.364	26%	0.256	S	S	.	.			trans	-114.6	157.2	-178.6	-63.7	175.7	9.1	0	0	110.3	D98 S102 D103	D98-Q100 WeakPolarHBondContact O-CG 3.47Å; D98-Q100 PolarHBondContact O-N 3.4Å; Q100-S102 PolarHBondContact O-N 3.2Å; Q100-D103 PolarHBondContact N-OD2 3.24Å; Q100-D103 VanDerWaalsContact O-CB 3.32Å; Q100-D103 WeakPolarHBondContact O-CB 3.21Å; Q100-D103 PolarHBondContact O-N 2.88Å
101	P	97.3	Very high	97.8	Very high	85 Å²	85	47 Å²	47	55%	0.552	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-52.8	-32.8	176	-29.1	36.2	0	0	0	113.8	D103 S104	P101-D103 PolarHBondContact O-N 2.82Å; P101-S104 VanDerWaalsContact O-CB 3.29Å; P101-S104 WeakPolarHBondContact O-CB 3.32Å; P101-S104 PolarHBondContact O-N 2.77Å; P101-S104 VanDerWaalsContact O-N 3.15Å; P101-S104 PolarHBondContact O-OG 2.74Å
102	S	96.4	Very high	97.6	Very high	66 Å²	66	46.9 Å²	46.9	46%	0.462	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-68.3	-13.6	176.9	60.6	0	0	0	0	114.9	H59 Q100	H59-S102 PolarHBondContact NE2-O 3.02Å; Q100-S102 PolarHBondContact O-N 3.2Å
103	D	97.7	Very high	97	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.07	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-79.5	-7.8	173.1	-61.7	-37.8	0	0	0	112.2	R57 R80 Q100 P101 A105 Y107	R57-D103 IonicContact NH1-OD1 2.7Å; R80-D103 IonicContact CZ-OD1 3.27Å; R80-D103 IonicContact CZ-OD2 2.68Å; R80-D103 VanDerWaalsContact CZ-OD2 3.27Å; R80-D103 IonicContact NH1-OD1 2.75Å; R80-D103 IonicContact NH1-OD2 3.78Å; R80-D103 PolarHBondContact NH1-OD2 3.1Å; R80-D103 VanDerWaalsContact NH2-CG 3.29Å; R80-D103 IonicContact NH2-OD1 2.88Å; R80-D103 PolarHBondContact NH2-OD1 3.17Å; R80-D103 IonicContact NH2-OD2 3.45Å; R80-D103 PolarHBondContact NH2-OD2 2.7Å; Q100-D103 PolarHBondContact N-OD2 3.24Å; Q100-D103 VanDerWaalsContact O-CB 3.32Å; Q100-D103 WeakPolarHBondContact O-CB 3.21Å; Q100-D103 PolarHBondContact O-N 2.88Å; P101-D103 PolarHBondContact O-N 2.82Å; D103-A105 PolarHBondContact O-N 2.97Å; D103-Y107 WeakPolarHBondContact O-CE2 3.46Å; D103-Y107 PolarHBondContact O-OH 2.78Å
104	S	97.6	Very high	96.9	Very high	92 Å²	92	55.5 Å²	55.5	64%	0.643	30%	0.304	S	S	*	.			trans	-67.1	105.1	176.8	-54.6	0	0	0	0	110.6	P101	P101-S104 VanDerWaalsContact O-CB 3.29Å; P101-S104 WeakPolarHBondContact O-CB 3.32Å; P101-S104 PolarHBondContact O-N 2.77Å; P101-S104 VanDerWaalsContact O-N 3.15Å; P101-S104 PolarHBondContact O-OG 2.74Å
105	A	98	Very high	96.8	Very high	33 Å²	33	58.4 Å²	58.4	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-162.2	169.3	-174.6	0	0	0	0	0	110.9	R57 Q58 D103 Y107	R57-A105 HydrophobicContact CG-CB 3.47Å; R57-A105 VanDerWaalsContact CG-CB 3.47Å; Q58-A105 WeakPolarHBondContact O-CB 3.43Å; D103-A105 PolarHBondContact O-N 2.97Å; A105-Y107 HydrophobicContact CB-CD2 4.38Å; A105-Y107 HydrophobicContact CB-CE2 3.86Å; A105-Y107 WeakPolarHBondContact O-CD2 3.43Å
106	L	98.2	Very high	96.7	Very high	107 Å²	107	58.4 Å²	58.4	56%	0.56	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.9	163.1	-65.6	172.7	0	0	0	109.3	R57 Q58 F108	R57-L106 CarbonylContact C-O 3.46Å; R57-L106 WeakPolarHBondContact CA-O 3.3Å; Q58-L106 HydrophobicContact CB-CB 4.29Å; Q58-L106 PolarHBondContact N-O 2.88Å; Q58-L106 PolarHBondContact O-N 3.03Å; L106-F108 HydrophobicContact CB-CE2 3.75Å; L106-F108 HydrophobicContact CB-CZ 3.8Å; L106-F108 HydrophobicContact CD1-CZ 4.08Å
107	Y	98.4	Very high	96.6	Very high	31 Å²	31	61.6 Å²	61.6	12%	0.122	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.5	179.1	-73.5	-102.3	0	0	0	109.9	Q26 L41 Y56 R57 L67 L94 I96 D103 A105	Q26-Y107 PolarHBondContact NE2-O 2.94Å; L41-Y107 VanDerWaalsContact CD1-CB 3.41Å; L41-Y107 HydrophobicContact CD1-CD1 3.99Å; L41-Y107 HydrophobicContact CD1-CD2 4.11Å; L41-Y107 HydrophobicContact CD1-CG 3.59Å; Y56-Y107 VanDerWaalsContact O-CA 3.3Å; Y56-Y107 WeakPolarHBondContact O-CA 3.39Å; R57-Y107 HydrophobicContact CB-CD1 4.4Å; R57-Y107 HydrophobicContact CB-CE1 4.19Å; R57-Y107 WeakPolarHBondContact CD-OH 2.84Å; R57-Y107 HydrophobicContact CG-CE1 4.04Å; R57-Y107 HydrophobicContact CG-CE2 4.33Å; L67-Y107 HydrophobicContact CD2-CD1 4.1Å; L67-Y107 HydrophobicContact CD2-CE1 3.67Å; L94-Y107 HydrophobicContact CD2-CD1 3.75Å; L94-Y107 HydrophobicContact CD2-CE1 4.01Å; I96-Y107 HydrophobicContact CD1-CE1 3.83Å; I96-Y107 HydrophobicContact CD1-CE2 4.5Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.33Å; D103-Y107 WeakPolarHBondContact O-CE2 3.46Å; D103-Y107 PolarHBondContact O-OH 2.78Å; A105-Y107 HydrophobicContact CB-CD2 4.38Å; A105-Y107 HydrophobicContact CB-CE2 3.86Å; A105-Y107 WeakPolarHBondContact O-CD2 3.43Å
108	F	97.3	Very high	96.4	Very high	77 Å²	77	57.5 Å²	57.5	34%	0.338	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.7	-179.2	-53.7	-83.9	0	0	0	110.4	W55 Y56 Q58 P64 L106	W55-F108 CarbonylContact C-O 3.55Å; W55-F108 WeakPolarHBondContact CA-O 3.46Å; Y56-F108 PolarHBondContact N-O 2.91Å; Y56-F108 PolarHBondContact O-N 2.81Å; Q58-F108 HydrophobicContact CB-CD2 4.46Å; Q58-F108 HydrophobicContact CB-CE2 3.77Å; Q58-F108 VanDerWaalsContact OE1-CE2 3.24Å; P64-F108 HydrophobicContact CB-CD2 4.44Å; P64-F108 HydrophobicContact CG-CD2 4.49Å; P64-F108 HydrophobicContact CG-CE2 4.35Å; L106-F108 HydrophobicContact CB-CE2 3.75Å; L106-F108 HydrophobicContact CB-CZ 3.8Å; L106-F108 HydrophobicContact CD1-CZ 4.08Å
109	C	97.3	Very high	96.3	Very high	8 Å²	8	55.5 Å²	55.5	5%	0.054	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.4	170.8	177.4	0	0	0	0	109.6	Q26 C43 W54 W55	Q26-C109 VanDerWaalsContact CD-N 3.31Å; Q26-C109 HydrophobicContact CG-CB 3.8Å; C43-C109 HydrophobicContact CB-CB 3.43Å; C43-C109 VanDerWaalsContact CB-CB 3.43Å; C43-C109 WeakPolarHBondContact CB-SG 3.32Å; C43-C109 WeakPolarHBondContact SG-CB 3.44Å; C43-C109 CovalentContact SG-SG 2.02Å; C43-C109 PolarHBondContact SG-SG 3.46Å; W54-C109 CarbonylContact O-C 3.45Å; W54-C109 VanDerWaalsContact O-CA 3.29Å; W54-C109 WeakPolarHBondContact O-CA 3.3Å; W55-C109 HydrophobicContact CD2-CB 4.46Å; W55-C109 HydrophobicContact CE3-CB 4.11Å; W55-C109 HydrophobicContact CH2-CB 4.01Å; W55-C109 HydrophobicContact CZ2-CB 4.34Å; W55-C109 HydrophobicContact CZ3-CB 3.88Å
110	A	96.1	Very high	96.2	Very high	32 Å²	32	58.8 Å²	58.8	26%	0.264	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	170.7	0	0	0	0	0	111	F53 W54 Y56	F53-A110 WeakPolarHBondContact CA-O 3.3Å; W54-A110 HydrophobicContact CB-CB 4.43Å; W54-A110 PolarHBondContact N-O 2.84Å; W54-A110 PolarHBondContact O-N 2.93Å; Y56-A110 HydrophobicContact CE2-CB 4.06Å
111	V	95.1	Very high	96	Very high	29 Å²	29	57.3 Å²	57.3	18%	0.176	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144.5	169.2	-69.9	0	0	0	0	109.7	K23 V24 D47 F50 Y52 F53	K23-V111 HydrophobicContact CB-CG2 4.36Å; V24-V111 HydrophobicContact CG1-CB 4.48Å; V24-V111 HydrophobicContact CG1-CG1 4Å; V24-V111 HydrophobicContact CG1-CG2 3.92Å; D47-V111 HydrophobicContact CB-CG2 4.31Å; F50-V111 HydrophobicContact CB-CB 3.97Å; F50-V111 HydrophobicContact CB-CG1 4.13Å; Y52-V111 VanDerWaalsContact O-CA 3.3Å; Y52-V111 WeakPolarHBondContact O-CA 3.06Å; F53-V111 HydrophobicContact CD1-CG1 3.49Å; F53-V111 VanDerWaalsContact CD1-CG1 3.49Å; F53-V111 HydrophobicContact CD2-CG1 4.29Å; F53-V111 HydrophobicContact CE1-CG1 3.24Å; F53-V111 HydrophobicContact CE2-CG1 4.06Å; F53-V111 HydrophobicContact CG-CG1 4.04Å; F53-V111 HydrophobicContact CZ-CG1 3.56Å
112	S	93	Very high	95.9	Very high	40 Å²	40	55 Å²	55	28%	0.28	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.7	168	70	0	0	0	0	110.2	Q51 Y52 W54	Q51-S112 PolarHBondContact N-O 3.21Å; Y52-S112 PolarHBondContact N-O 2.99Å; Y52-S112 PolarHBondContact O-N 2.66Å; W54-S112 PolarHBondContact NE1-OG 2.95Å; W54-S112 VanDerWaalsContact NE1-OG 3.1Å
113	E	85.7	Confident	95.9	Very high	132 Å²	132	54 Å²	54	62%	0.617	31%	0.309	S	S	*	.			trans	-77.3	0	168.9	-64.2	173.6	-148.1	0	0	111.7	K23 N49 Q51	K23-E113 IonicContact NZ-OE1 2.64Å; K23-E113 PolarHBondContact NZ-OE1 2.96Å; N49-E113 HydrophobicContact CB-CG 4.43Å; Q51-E113 WeakPolarHBondContact CG-OXT 2.94Å; Q51-E113 PolarHBondContact NE2-OXT 2.77Å

Retrieved 113 of 113 residues in 125.5 ms (Link to these results)

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