A0A096NRD4_PAPAN Loading...

T cell receptor alpha variable 41

AlphaFold DB , UniProt , Accession A0A096NRD4, Species PAPAN (Papio anubis, Olive baboon), Gene TRAV41, Length 111 aa.

						>A0A096NRD4_PAPAN|A0A096NRD4|TRAV41
MSLRTGVSAAKNEVEQSPQDLTAQEGEFITINCSYSIGINSLHWLQQHPGGGIVSLFMLSSEKKKNGRLIATINIQERHSSLHIAASQPRDSAIYICAVRHSALQVPGART
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	81.7	Confident	65.4	Low	48 Å²	48	64.2 Å²	64.2	24%	0.236	36%	0.362	C	S	.	.				0	144.7	0	38.9	-172.8	-78.8	0	0	109.1	L3 T22 A23 Q88 D91 S92	M1-L3 HydrophobicContact CE-CD1 3.73Å; M1-T22 WeakPolarHBondContact O-CA 3.3Å; M1-A23 HydrophobicContact CE-CB 4.43Å; M1-A23 HydrophobicContact CG-CB 4.06Å; M1-A23 WeakPolarHBondContact CG-O 3.47Å; M1-A23 PolarHBondContact N-O 2.96Å; M1-A23 PolarHBondContact O-N 2.79Å; M1-Q88 WeakPolarHBondContact CE-O 3.37Å; M1-D91 HydrophobicContact CE-CB 3.7Å; M1-S92 VanDerWaalsContact CB-OG 3.31Å; M1-S92 WeakPolarHBondContact CB-OG 3.07Å
2	S	75.8	Confident	65.6	Low	52 Å²	52	71.4 Å²	71.4	36%	0.364	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.2	-177.3	179.6	0	0	0	0	110.2	L21 S92	S2-L21 WeakPolarHBondContact CA-O 3.49Å; S2-S92 VanDerWaalsContact O-CA 3.29Å; S2-S92 WeakPolarHBondContact O-CA 3.38Å; S2-S92 WeakPolarHBondContact O-CB 3.05Å
3	L	79.6	Confident	67.1	Low	2 Å²	2	69.8 Å²	69.8	1%	0.01	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.9	171.8	-64.7	74.5	0	0	0	107.2	M1 L21 A23 I29 I84 Y95	M1-L3 HydrophobicContact CE-CD1 3.73Å; L3-L21 HydrophobicContact CB-CD2 3.99Å; L3-L21 HydrophobicContact CD1-CD2 4.09Å; L3-L21 HydrophobicContact CD2-CD2 4.23Å; L3-L21 HydrophobicContact CG-CD2 4.33Å; L3-L21 PolarHBondContact N-O 2.95Å; L3-L21 PolarHBondContact O-N 3.35Å; L3-A23 HydrophobicContact CD1-CB 4.05Å; L3-I29 HydrophobicContact CD2-CG2 4.24Å; L3-I84 HydrophobicContact CD2-CD1 3.45Å; L3-I84 VanDerWaalsContact CD2-CD1 3.45Å; L3-Y95 HydrophobicContact CB-CD2 4.4Å; L3-Y95 HydrophobicContact CB-CE2 4.25Å; L3-Y95 HydrophobicContact CD2-CD2 4.25Å; L3-Y95 HydrophobicContact CD2-CE2 3.58Å; L3-Y95 HydrophobicContact CG-CE2 3.93Å
4	R	80.1	Confident	68.8	Low	139 Å²	139	65.1 Å²	65.1	53%	0.525	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.9	173.9	-56	-166.5	179.3	-151.8	-0.7	108.9	D20 A93 I94 Y95	R4-D20 VanDerWaalsContact CD-OD1 3.26Å; R4-D20 WeakPolarHBondContact CD-OD1 3.29Å; R4-D20 VanDerWaalsContact CG-OD1 3.25Å; R4-D20 WeakPolarHBondContact CG-OD1 3.43Å; R4-D20 IonicContact CZ-OD1 2.77Å; R4-D20 IonicContact NE-OD1 2.71Å; R4-D20 IonicContact NH1-OD1 3.83Å; R4-A93 PolarHBondContact N-O 2.77Å; R4-I94 HydrophobicContact CB-CG1 4.2Å; R4-I94 CarbonylContact O-C 3.52Å; R4-I94 VanDerWaalsContact O-CA 3.28Å; R4-I94 WeakPolarHBondContact O-CA 3.33Å; R4-Y95 PolarHBondContact O-N 3.17Å
5	T	70.7	Confident	70.3	Confident	23 Å²	23	70.7 Å²	70.7	14%	0.141	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.6	165.6	56.8	0	0	0	0	109.2	Q16 P18 Q19 I31 Y95	T5-Q16 HydrophobicContact CG2-CB 4.38Å; T5-P18 WeakPolarHBondContact CB-O 3.32Å; T5-P18 WeakPolarHBondContact CG2-O 3.43Å; T5-P18 PolarHBondContact OG1-O 2.99Å; T5-Q19 PolarHBondContact N-O 3.12Å; T5-Q19 VanDerWaalsContact OG1-CA 3.25Å; T5-Q19 WeakPolarHBondContact OG1-CA 3.37Å; T5-Q19 PolarHBondContact OG1-O 2.84Å; T5-I31 HydrophobicContact CG2-CB 4.47Å; T5-I31 HydrophobicContact CG2-CD1 4.35Å; T5-I31 HydrophobicContact CG2-CG1 4.43Å; T5-I31 HydrophobicContact CG2-CG2 3.33Å; T5-Y95 WeakPolarHBondContact CA-O 3.39Å
6	G	62.2	Low	71.7	Confident	16 Å²	16	67.3 Å²	67.3	17%	0.165	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.2	170.9	0	0	0	0	0	108	Q16 I94 Y95 I96	G6-Q16 PolarHBondContact O-OE1 3.09Å; G6-I94 VanDerWaalsContact CA-CG2 3.49Å; G6-Y95 PolarHBondContact N-O 3.27Å; G6-I96 VanDerWaalsContact O-CA 3.24Å; G6-I96 WeakPolarHBondContact O-CA 3.43Å
7	V	59.7	Low	73	Confident	76 Å²	76	66.8 Å²	66.8	46%	0.461	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.7	176.1	-176	0	0	0	0	108.4	V14	V7-V14 HydrophobicContact CG1-CB 4.4Å
8	S	55.5	Low	74.1	Confident	29 Å²	29	65.8 Å²	65.8	20%	0.203	36%	0.364	C	S	.	.			trans	-120.5	139.1	169.4	76.8	0	0	0	0	113.9	A10 I96 C97 A98	S8-A10 PolarHBondContact O-N 2.79Å; S8-I96 WeakPolarHBondContact OG-CG2 3.3Å; S8-C97 PolarHBondContact OG-O 2.95Å; S8-A98 VanDerWaalsContact OG-CB 3.29Å; S8-A98 WeakPolarHBondContact OG-CB 3.31Å
9	A	49	Very low	74.8	Confident	93 Å²	93	70.3 Å²	70.3	77%	0.769	38%	0.382	S	S	*	.	S	Bend	trans	58.7	40.2	161.6	0	0	0	0	0	118.3
10	A	50.5	Low	75.5	Confident	30 Å²	30	71.6 Å²	71.6	25%	0.248	39%	0.388	C	S	.	.			trans	171.3	105	135.4	0	0	0	0	0	105.2	S8 N12 E13	S8-A10 PolarHBondContact O-N 2.79Å; A10-N12 PolarHBondContact O-N 3.41Å; A10-E13 HydrophobicContact CB-CB 3.69Å; A10-E13 VanDerWaalsContact CB-CD 3.5Å; A10-E13 HydrophobicContact CB-CG 3.58Å; A10-E13 WeakPolarHBondContact CB-OE2 3.38Å; A10-E13 PolarHBondContact O-N 3.43Å
11	K	54.9	Low	76.2	Confident	198 Å²	198	70.1 Å²	70.1	86%	0.861	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-8.6	-171.9	-138.3	176.5	-178.2	-177.1	0	114
12	N	67.8	Low	76.6	Confident	151 Å²	151	72.8 Å²	72.8	81%	0.807	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-0.9	-177.8	-57.8	-9.1	0	0	0	114.3	A10	A10-N12 PolarHBondContact O-N 3.41Å
13	E	84.8	Confident	77.3	Confident	51 Å²	51	70.4 Å²	70.4	24%	0.238	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-18.6	-179.4	-61.5	176.7	173.4	0	0	113.4	A10 Y35 S36 I37 H101	A10-E13 HydrophobicContact CB-CB 3.69Å; A10-E13 VanDerWaalsContact CB-CD 3.5Å; A10-E13 HydrophobicContact CB-CG 3.58Å; A10-E13 WeakPolarHBondContact CB-OE2 3.38Å; A10-E13 PolarHBondContact O-N 3.43Å; E13-Y35 CarbonylContact O-C 3.55Å; E13-Y35 WeakPolarHBondContact O-CA 3.29Å; E13-Y35 VanDerWaalsContact O-CB 3.3Å; E13-Y35 WeakPolarHBondContact O-CB 3.48Å; E13-S36 WeakPolarHBondContact CA-OG 3.38Å; E13-S36 PolarHBondContact O-N 2.82Å; E13-I37 HydrophobicContact CB-CG1 4.43Å; E13-I37 HydrophobicContact CB-CG2 4.46Å; E13-I37 HydrophobicContact CG-CG2 4.06Å; E13-I37 WeakPolarHBondContact OE2-CD1 3.49Å; E13-H101 IonicContact OE1-CE1 3.74Å; E13-H101 IonicContact OE1-NE2 3.83Å; E13-H101 IonicContact OE2-CD2 3.73Å; E13-H101 IonicContact OE2-CE1 3.36Å; E13-H101 PolarHBondContact OE2-CE1 3.27Å; E13-H101 IonicContact OE2-NE2 3.52Å; E13-H101 PolarHBondContact OE2-NE2 3.19Å
14	V	90.5	Very high	78	Confident	4 Å²	4	76.2 Å²	76.2	2%	0.024	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.5	-177.8	179.1	0	0	0	0	109.5	V7 Q16 C33 S34 C97 V99	V7-V14 HydrophobicContact CG1-CB 4.4Å; V14-Q16 HydrophobicContact CG1-CG 4.41Å; V14-C33 VanDerWaalsContact CG1-SG 3.53Å; V14-S34 WeakPolarHBondContact CA-O 3.33Å; V14-C97 HydrophobicContact CG1-CB 4.18Å; V14-V99 HydrophobicContact CG2-CB 4.48Å; V14-V99 HydrophobicContact CG2-CG1 4.06Å; V14-V99 HydrophobicContact CG2-CG2 3.65Å
15	E	92.1	Very high	78.7	Confident	149 Å²	149	76.2 Å²	76.2	70%	0.696	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.1	173.9	-66.3	-173.6	168.8	0	0	109.7	C33 S34	E15-C33 CarbonylContact O-C 3.58Å; E15-C33 VanDerWaalsContact O-CA 3.31Å; E15-C33 WeakPolarHBondContact O-CA 3.31Å; E15-S34 PolarHBondContact N-O 3.43Å; E15-S34 PolarHBondContact O-N 3.46Å
16	Q	93	Very high	79.9	Confident	16 Å²	16	77.5 Å²	77.5	8%	0.075	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.2	177.2	-76	-179.4	-119.1	0	0	111.7	T5 G6 V14 N32 C33 Y95 C97	T5-Q16 HydrophobicContact CG2-CB 4.38Å; G6-Q16 PolarHBondContact O-OE1 3.09Å; V14-Q16 HydrophobicContact CG1-CG 4.41Å; Q16-N32 VanDerWaalsContact CA-O 3.24Å; Q16-N32 WeakPolarHBondContact CA-O 3.31Å; Q16-C33 HydrophobicContact CG-CB 4.17Å; Q16-Y95 PolarHBondContact NE2-O 3.17Å; Q16-C97 VanDerWaalsContact CD-CB 3.45Å; Q16-C97 HydrophobicContact CG-CB 3.85Å
17	S	92.5	Very high	81.5	Confident	59 Å²	59	80.7 Å²	80.7	41%	0.413	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.1	177.5	64.9	0	0	0	0	112.8	N32	S17-N32 PolarHBondContact N-O 2.84Å; S17-N32 VanDerWaalsContact N-O 3.09Å; S17-N32 PolarHBondContact O-N 2.99Å
18	P	92.8	Very high	83.2	Confident	49 Å²	49	83 Å²	83	32%	0.318	45%	0.448	S	S	.	.			cis	-69.8	162.4	-11.7	32.1	-36.6	0	0	0	112.5	T5 L21	T5-P18 WeakPolarHBondContact CB-O 3.32Å; T5-P18 WeakPolarHBondContact CG2-O 3.43Å; T5-P18 PolarHBondContact OG1-O 2.99Å; P18-L21 HydrophobicContact CG-CB 4.02Å; P18-L21 HydrophobicContact CG-CD1 3.96Å
19	Q	88.5	Confident	85.1	Confident	150 Å²	150	82.1 Å²	82.1	70%	0.701	44%	0.441	S	S	*	.	S	Bend	trans	-69.5	-47.7	177.1	-74.5	-173.9	-5.8	0	0	112.3	T5	T5-Q19 PolarHBondContact N-O 3.12Å; T5-Q19 VanDerWaalsContact OG1-CA 3.25Å; T5-Q19 WeakPolarHBondContact OG1-CA 3.37Å; T5-Q19 PolarHBondContact OG1-O 2.84Å
20	D	88.6	Confident	87.4	Confident	96 Å²	96	79.7 Å²	79.7	51%	0.513	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.6	175	-67	-63.7	0	0	0	108.9	R4	R4-D20 VanDerWaalsContact CD-OD1 3.26Å; R4-D20 WeakPolarHBondContact CD-OD1 3.29Å; R4-D20 VanDerWaalsContact CG-OD1 3.25Å; R4-D20 WeakPolarHBondContact CG-OD1 3.43Å; R4-D20 IonicContact CZ-OD1 2.77Å; R4-D20 IonicContact NE-OD1 2.71Å; R4-D20 IonicContact NH1-OD1 3.83Å
21	L	89	Confident	89.6	Confident	42 Å²	42	78.4 Å²	78.4	22%	0.22	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137	178.2	176.4	110.9	0	0	0	109.2	S2 L3 P18 A23 I29	S2-L21 WeakPolarHBondContact CA-O 3.49Å; L3-L21 HydrophobicContact CB-CD2 3.99Å; L3-L21 HydrophobicContact CD1-CD2 4.09Å; L3-L21 HydrophobicContact CD2-CD2 4.23Å; L3-L21 HydrophobicContact CG-CD2 4.33Å; L3-L21 PolarHBondContact N-O 2.95Å; L3-L21 PolarHBondContact O-N 3.35Å; P18-L21 HydrophobicContact CG-CB 4.02Å; P18-L21 HydrophobicContact CG-CD1 3.96Å; L21-A23 HydrophobicContact CD2-CB 4.21Å; L21-I29 HydrophobicContact CD1-CD1 4.27Å; L21-I29 HydrophobicContact CD1-CG2 4.35Å; L21-I29 HydrophobicContact CD2-CB 4.17Å; L21-I29 HydrophobicContact CD2-CD1 3.72Å; L21-I29 HydrophobicContact CD2-CG1 3.79Å; L21-I29 HydrophobicContact CD2-CG2 3.31Å; L21-I29 HydrophobicContact CG-CD1 4.45Å; L21-I29 HydrophobicContact CG-CG2 4.45Å
22	T	90.3	Very high	91.5	Very high	104 Å²	104	71.3 Å²	71.3	64%	0.638	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.4	165.3	-58.9	0	0	0	0	108.2	M1	M1-T22 WeakPolarHBondContact O-CA 3.3Å
23	A	90.9	Very high	92.8	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.008	34%	0.339	C	S	.	.			trans	-117.8	148.2	176.9	0	0	0	0	0	110.6	M1 L3 L21 E27 I29	M1-A23 HydrophobicContact CE-CB 4.43Å; M1-A23 HydrophobicContact CG-CB 4.06Å; M1-A23 WeakPolarHBondContact CG-O 3.47Å; M1-A23 PolarHBondContact N-O 2.96Å; M1-A23 PolarHBondContact O-N 2.79Å; L3-A23 HydrophobicContact CD1-CB 4.05Å; L21-A23 HydrophobicContact CD2-CB 4.21Å; A23-E27 WeakPolarHBondContact CA-OE2 3.43Å; A23-I29 HydrophobicContact CB-CD1 3.66Å; A23-I29 HydrophobicContact CB-CG1 3.76Å
24	Q	94.3	Very high	93.3	Very high	124 Å²	124	64.1 Å²	64.1	58%	0.579	35%	0.345	S	S	*	.			trans	-87.5	157.3	163.7	-59.6	-59.2	-31.8	0	0	110.4	G26 E27	Q24-G26 PolarHBondContact O-N 2.89Å; Q24-E27 HydrophobicContact CB-CG 3.97Å; Q24-E27 PolarHBondContact N-OE2 2.91Å; Q24-E27 WeakPolarHBondContact O-CB 3.37Å; Q24-E27 PolarHBondContact O-N 2.88Å
25	E	95.3	Very high	93.3	Very high	140 Å²	140	64.6 Å²	64.6	65%	0.654	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	136.2	173.8	-173.3	166.8	-168.4	0	0	110.1	E27 S87	E25-E27 VanDerWaalsContact C-N 3.34Å; E25-S87 CarbonylContact C-O 3.59Å; E25-S87 WeakPolarHBondContact CA-O 3.17Å; E25-S87 WeakPolarHBondContact CG-O 2.96Å
26	G	95.1	Very high	93.3	Very high	50 Å²	50	60.7 Å²	60.7	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-12	-176.2	0	0	0	0	0	115.2	Q24 A86 S87	Q24-G26 PolarHBondContact O-N 2.89Å; G26-A86 WeakPolarHBondContact O-CA 3.24Å; G26-S87 PolarHBondContact N-O 2.03Å
27	E	96.2	Very high	93	Very high	83 Å²	83	61.5 Å²	61.5	39%	0.388	34%	0.34	S	S	.	.			trans	-69.4	153	-179.6	-73.6	-173.2	155	0	0	113.3	A23 Q24 E25 I29 A86 S87	A23-E27 WeakPolarHBondContact CA-OE2 3.43Å; Q24-E27 HydrophobicContact CB-CG 3.97Å; Q24-E27 PolarHBondContact N-OE2 2.91Å; Q24-E27 WeakPolarHBondContact O-CB 3.37Å; Q24-E27 PolarHBondContact O-N 2.88Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E27-I29 HydrophobicContact CB-CD1 4.2Å; E27-A86 PolarHBondContact O-N 3.48Å; E27-S87 VanDerWaalsContact O-CB 3.29Å; E27-S87 WeakPolarHBondContact O-CB 3.25Å; E27-S87 PolarHBondContact O-N 2.88Å; E27-S87 PolarHBondContact O-OG 2.76Å
28	F	96.1	Very high	92.8	Very high	124 Å²	124	60.5 Å²	60.5	54%	0.544	34%	0.338	S	S	.	.			trans	-95.6	118.5	171	-179.8	-88.5	0	0	0	109.9	T30 H83 I84 A85	F28-T30 VanDerWaalsContact CE1-OG1 3.3Å; F28-T30 WeakPolarHBondContact CE1-OG1 3.33Å; F28-H83 HydrophobicContact CE1-CB 4.42Å; F28-H83 AromaticContact CE1-ND1 3.81Å; F28-H83 HydrophobicContact CE2-CB 3.9Å; F28-H83 HydrophobicContact CZ-CB 3.57Å; F28-H83 AromaticContact CZ-CG 3.67Å; F28-H83 AromaticContact CZ-ND1 3.54Å; F28-I84 WeakPolarHBondContact CA-O 3.06Å; F28-A85 HydrophobicContact CD2-CB 4.09Å; F28-A85 HydrophobicContact CE2-CB 4.5Å
29	I	94.9	Very high	92.7	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.051	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.4	-177.6	-60.3	-48.3	0	0	0	110.5	L3 L21 A23 E27 I31 H83 I84 S87	L3-I29 HydrophobicContact CD2-CG2 4.24Å; L21-I29 HydrophobicContact CD1-CD1 4.27Å; L21-I29 HydrophobicContact CD1-CG2 4.35Å; L21-I29 HydrophobicContact CD2-CB 4.17Å; L21-I29 HydrophobicContact CD2-CD1 3.72Å; L21-I29 HydrophobicContact CD2-CG1 3.79Å; L21-I29 HydrophobicContact CD2-CG2 3.31Å; L21-I29 HydrophobicContact CG-CD1 4.45Å; L21-I29 HydrophobicContact CG-CG2 4.45Å; A23-I29 HydrophobicContact CB-CD1 3.66Å; A23-I29 HydrophobicContact CB-CG1 3.76Å; E27-I29 HydrophobicContact CB-CD1 4.2Å; I29-I31 HydrophobicContact CG2-CG1 4.34Å; I29-H83 CarbonylContact O-C 3.48Å; I29-H83 VanDerWaalsContact O-CA 3.24Å; I29-H83 WeakPolarHBondContact O-CA 3.5Å; I29-I84 HydrophobicContact CB-CB 4.33Å; I29-I84 PolarHBondContact N-O 3.42Å; I29-I84 PolarHBondContact O-N 2.81Å; I29-S87 WeakPolarHBondContact CG1-OG 3.49Å
30	T	96.9	Very high	92.7	Very high	43 Å²	43	55.6 Å²	55.6	26%	0.264	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	171.1	-60.3	0	0	0	0	110.3	F28 N32 L82 H83	F28-T30 VanDerWaalsContact CE1-OG1 3.3Å; F28-T30 WeakPolarHBondContact CE1-OG1 3.33Å; T30-N32 WeakPolarHBondContact CG2-OD1 2.96Å; T30-L82 WeakPolarHBondContact CA-O 3.24Å; T30-H83 VanDerWaalsContact CG2-CE1 3.5Å; T30-H83 WeakPolarHBondContact CG2-CE1 3.29Å; T30-H83 WeakPolarHBondContact CG2-ND1 3.42Å; T30-H83 PolarHBondContact OG1-ND1 3.47Å
31	I	96.3	Very high	92.8	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.5	172.1	-57.8	178	0	0	0	107	T5 I29 W44 S81 L82 Y95	T5-I31 HydrophobicContact CG2-CB 4.47Å; T5-I31 HydrophobicContact CG2-CD1 4.35Å; T5-I31 HydrophobicContact CG2-CG1 4.43Å; T5-I31 HydrophobicContact CG2-CG2 3.33Å; I29-I31 HydrophobicContact CG2-CG1 4.34Å; I31-W44 HydrophobicContact CB-CH2 4.34Å; I31-W44 HydrophobicContact CG2-CH2 3.74Å; I31-W44 HydrophobicContact CG2-CZ3 3.84Å; I31-S81 CarbonylContact O-C 3.51Å; I31-S81 VanDerWaalsContact O-CA 3.3Å; I31-S81 WeakPolarHBondContact O-CA 3.32Å; I31-L82 HydrophobicContact CB-CB 4.41Å; I31-L82 PolarHBondContact N-O 3.11Å; I31-L82 PolarHBondContact O-N 2.79Å; I31-Y95 HydrophobicContact CD1-CD1 4.3Å; I31-Y95 HydrophobicContact CD1-CD2 3.67Å; I31-Y95 HydrophobicContact CD1-CE2 4.43Å; I31-Y95 HydrophobicContact CD1-CG 3.58Å
32	N	96.4	Very high	93	Very high	49 Å²	49	49.5 Å²	49.5	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	151.7	-179.6	-63.1	-48.8	0	0	0	110.8	Q16 S17 T30 S80	Q16-N32 VanDerWaalsContact CA-O 3.24Å; Q16-N32 WeakPolarHBondContact CA-O 3.31Å; S17-N32 PolarHBondContact N-O 2.84Å; S17-N32 VanDerWaalsContact N-O 3.09Å; S17-N32 PolarHBondContact O-N 2.99Å; T30-N32 WeakPolarHBondContact CG2-OD1 2.96Å; N32-S80 CarbonylContact C-O 3.56Å
33	C	95.3	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	119.9	175.2	177.1	0	0	0	0	109	V14 E15 Q16 W44 H79 S80 C97	V14-C33 VanDerWaalsContact CG1-SG 3.53Å; E15-C33 CarbonylContact O-C 3.58Å; E15-C33 VanDerWaalsContact O-CA 3.31Å; E15-C33 WeakPolarHBondContact O-CA 3.31Å; Q16-C33 HydrophobicContact CG-CB 4.17Å; C33-W44 HydrophobicContact CB-CH2 3.7Å; C33-W44 HydrophobicContact CB-CZ2 3.65Å; C33-H79 CarbonylContact O-C 3.49Å; C33-H79 WeakPolarHBondContact O-CA 3.32Å; C33-H79 PolarHBondContact O-CD2 2.93Å; C33-S80 PolarHBondContact N-O 2.91Å; C33-S80 PolarHBondContact O-N 3.29Å; C33-C97 HydrophobicContact CB-CB 3.6Å; C33-C97 WeakPolarHBondContact CB-SG 3.38Å; C33-C97 WeakPolarHBondContact SG-CB 3.07Å; C33-C97 CovalentContact SG-SG 2.03Å; C33-C97 PolarHBondContact SG-SG 3Å
34	S	94.1	Very high	93.5	Very high	51 Å²	51	46.9 Å²	46.9	36%	0.357	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	152	171.4	-61	0	0	0	0	109.5	V14 E15 R78	V14-S34 WeakPolarHBondContact CA-O 3.33Å; E15-S34 PolarHBondContact N-O 3.43Å; E15-S34 PolarHBondContact O-N 3.46Å; S34-R78 WeakPolarHBondContact CA-O 3.5Å
35	Y	91.9	Very high	93.6	Very high	13 Å²	13	42.6 Å²	42.6	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.1	177.7	48.2	-89.5	0	0	0	113.5	E13 I37 I39 L42 N74 I75 R78 V99	E13-Y35 CarbonylContact O-C 3.55Å; E13-Y35 WeakPolarHBondContact O-CA 3.29Å; E13-Y35 VanDerWaalsContact O-CB 3.3Å; E13-Y35 WeakPolarHBondContact O-CB 3.48Å; Y35-I37 WeakPolarHBondContact CD2-O 3.39Å; Y35-I39 HydrophobicContact CD1-CD1 4.33Å; Y35-I39 HydrophobicContact CD2-CD1 4.14Å; Y35-I39 HydrophobicContact CD2-CG1 4.29Å; Y35-I39 HydrophobicContact CD2-CG2 3.78Å; Y35-I39 HydrophobicContact CE1-CD1 3.74Å; Y35-I39 HydrophobicContact CE2-CB 4.41Å; Y35-I39 HydrophobicContact CE2-CD1 3.51Å; Y35-I39 HydrophobicContact CE2-CG1 3.6Å; Y35-I39 HydrophobicContact CE2-CG2 3.96Å; Y35-I39 HydrophobicContact CG-CG2 4.44Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.48Å; Y35-L42 HydrophobicContact CD1-CD1 4.14Å; Y35-L42 HydrophobicContact CE1-CD1 3.81Å; Y35-N74 PolarHBondContact OH-O 2.79Å; Y35-I75 WeakPolarHBondContact OH-CA 3.4Å; Y35-R78 WeakPolarHBondContact CD1-O 3.49Å; Y35-R78 HydrophobicContact CD2-CB 3.75Å; Y35-R78 HydrophobicContact CD2-CG 4.27Å; Y35-R78 WeakPolarHBondContact CE1-O 3.28Å; Y35-R78 VanDerWaalsContact CE2-CA 3.44Å; Y35-R78 HydrophobicContact CE2-CB 3.57Å; Y35-R78 HydrophobicContact CE2-CG 3.95Å; Y35-R78 HydrophobicContact CG-CB 4.35Å; Y35-R78 PolarHBondContact N-O 2.71Å; Y35-R78 WeakPolarHBondContact O-CB 3.41Å; Y35-R78 WeakPolarHBondContact O-CD 3.07Å; Y35-R78 WeakPolarHBondContact OH-CA 3.24Å; Y35-V99 HydrophobicContact CD1-CG1 3.97Å; Y35-V99 HydrophobicContact CG-CG1 4.04Å
36	S	90.3	Very high	93.6	Very high	67 Å²	67	36.8 Å²	36.8	47%	0.469	22%	0.216	S	C	.	.	S	Bend	trans	-101.5	3.1	-172.2	64.7	0	0	0	0	114.6	E13 R78	E13-S36 WeakPolarHBondContact CA-OG 3.38Å; E13-S36 PolarHBondContact O-N 2.82Å; S36-R78 PolarHBondContact O-NH1 2.99Å
37	I	88.3	Confident	93.5	Very high	34 Å²	34	37 Å²	37	17%	0.174	20%	0.204	C	C	.	.	S	Bend	trans	-123.3	166.6	-174.8	56.3	159.1	0	0	0	112.8	E13 Y35 I39 V99 H101	E13-I37 HydrophobicContact CB-CG1 4.43Å; E13-I37 HydrophobicContact CB-CG2 4.46Å; E13-I37 HydrophobicContact CG-CG2 4.06Å; E13-I37 WeakPolarHBondContact OE2-CD1 3.49Å; Y35-I37 WeakPolarHBondContact CD2-O 3.39Å; I37-I39 HydrophobicContact CD1-CG2 4.12Å; I37-I39 HydrophobicContact CG1-CG2 3.96Å; I37-V99 HydrophobicContact CD1-CG2 4.08Å; I37-H101 WeakPolarHBondContact CD1-CD2 3.39Å; I37-H101 WeakPolarHBondContact CD1-NE2 3.21Å
38	G	88.2	Confident	93.3	Very high	37 Å²	37	36.5 Å²	36.5	38%	0.381	20%	0.202	S	C	.	.			trans	-73	135.4	167.4	0	0	0	0	0	111	S102	G38-S102 PolarHBondContact O-N 2.96Å; G38-S102 VanDerWaalsContact O-N 3.17Å; G38-S102 PolarHBondContact O-OG 2.99Å
39	I	89.4	Confident	92.6	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.1	-177.4	73.2	166.8	0	0	0	110.8	Y35 I37 L42 I73 V99 R100	Y35-I39 HydrophobicContact CD1-CD1 4.33Å; Y35-I39 HydrophobicContact CD2-CD1 4.14Å; Y35-I39 HydrophobicContact CD2-CG1 4.29Å; Y35-I39 HydrophobicContact CD2-CG2 3.78Å; Y35-I39 HydrophobicContact CE1-CD1 3.74Å; Y35-I39 HydrophobicContact CE2-CB 4.41Å; Y35-I39 HydrophobicContact CE2-CD1 3.51Å; Y35-I39 HydrophobicContact CE2-CG1 3.6Å; Y35-I39 HydrophobicContact CE2-CG2 3.96Å; Y35-I39 HydrophobicContact CG-CG2 4.44Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.48Å; I37-I39 HydrophobicContact CD1-CG2 4.12Å; I37-I39 HydrophobicContact CG1-CG2 3.96Å; I39-L42 HydrophobicContact CD1-CB 4.05Å; I39-L42 HydrophobicContact CD1-CD1 4.47Å; I39-I73 HydrophobicContact CD1-CD1 4.24Å; I39-V99 HydrophobicContact CB-CB 4.44Å; I39-V99 HydrophobicContact CD1-CB 4.44Å; I39-V99 HydrophobicContact CD1-CG1 4.06Å; I39-V99 HydrophobicContact CG2-CB 3.73Å; I39-V99 HydrophobicContact CG2-CG1 4.12Å; I39-V99 HydrophobicContact CG2-CG2 4.23Å; I39-R100 CarbonylContact C-O 3.57Å; I39-R100 VanDerWaalsContact CA-O 3.29Å; I39-R100 WeakPolarHBondContact CA-O 3.45Å; I39-R100 WeakPolarHBondContact CB-O 3.36Å
40	N	88.4	Confident	92.2	Very high	85 Å²	85	39.9 Å²	39.9	46%	0.455	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-36.7	169.5	-74.4	-21.1	0	0	0	111.6	R100 H101 S102	N40-R100 PolarHBondContact N-O 3.34Å; N40-H101 PolarHBondContact ND2-O 3.06Å; N40-S102 WeakPolarHBondContact OD1-CA 3.5Å; N40-S102 VanDerWaalsContact OD1-CB 3.24Å; N40-S102 WeakPolarHBondContact OD1-CB 3.42Å
41	S	90.9	Very high	91.7	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.9	-177.6	61.9	0	0	0	0	111.9	L59 R100	S41-L59 CarbonylContact C-O 3.59Å; S41-L59 WeakPolarHBondContact CA-O 3.39Å; S41-L59 WeakPolarHBondContact CB-O 3.21Å; S41-R100 PolarHBondContact O-N 3.31Å
42	L	93.9	Very high	91.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.4	175.3	-175.4	149.8	0	0	0	110.4	Y35 I39 W44 M58 L59 I73 S80 C97 A98 V99	Y35-L42 HydrophobicContact CD1-CD1 4.14Å; Y35-L42 HydrophobicContact CE1-CD1 3.81Å; I39-L42 HydrophobicContact CD1-CB 4.05Å; I39-L42 HydrophobicContact CD1-CD1 4.47Å; L42-W44 HydrophobicContact CD2-CG 4.22Å; L42-M58 CarbonylContact O-C 3.53Å; L42-M58 WeakPolarHBondContact O-CA 3.29Å; L42-L59 HydrophobicContact CD2-CD1 4.22Å; L42-L59 PolarHBondContact N-O 2.84Å; L42-L59 PolarHBondContact O-N 2.85Å; L42-I73 HydrophobicContact CB-CD1 3.75Å; L42-S80 WeakPolarHBondContact CD2-OG 3.46Å; L42-C97 VanDerWaalsContact CD1-SG 3.51Å; L42-A98 CarbonylContact C-O 3.55Å; L42-A98 WeakPolarHBondContact CA-O 3.48Å; L42-V99 HydrophobicContact CD1-CG1 4.13Å; L42-V99 HydrophobicContact CG-CG1 4.39Å
43	H	95.1	Very high	91.4	Very high	51 Å²	51	44 Å²	44	24%	0.236	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.7	-178.7	-66.3	-134.7	0	0	0	109.7	L45 F57 M58 A98	H43-L45 HydrophobicContact CB-CD2 4.4Å; H43-F57 VanDerWaalsContact CA-O 3.31Å; H43-F57 WeakPolarHBondContact CA-O 3.39Å; H43-M58 VanDerWaalsContact CE1-SD 3.5Å; H43-M58 WeakPolarHBondContact NE2-CG 3.26Å; H43-M58 PolarHBondContact NE2-SD 3.27Å; H43-A98 HydrophobicContact CB-CB 4.26Å; H43-A98 PolarHBondContact N-O 2.84Å; H43-A98 PolarHBondContact O-N 2.87Å
44	W	96.7	Very high	91.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.5	166	-78.8	105.3	0	0	0	108.9	I31 C33 L42 L56 F57 S80 L82 I96 C97	I31-W44 HydrophobicContact CB-CH2 4.34Å; I31-W44 HydrophobicContact CG2-CH2 3.74Å; I31-W44 HydrophobicContact CG2-CZ3 3.84Å; C33-W44 HydrophobicContact CB-CH2 3.7Å; C33-W44 HydrophobicContact CB-CZ2 3.65Å; L42-W44 HydrophobicContact CD2-CG 4.22Å; W44-L56 HydrophobicContact CB-CB 4.31Å; W44-L56 WeakPolarHBondContact O-CB 3.23Å; W44-L56 PolarHBondContact O-N 2.85Å; W44-F57 HydrophobicContact CB-CD2 4.48Å; W44-F57 PolarHBondContact N-O 2.83Å; W44-F57 PolarHBondContact O-N 2.9Å; W44-S80 PolarHBondContact NE1-OG 2.81Å; W44-L82 HydrophobicContact CD2-CB 3.67Å; W44-L82 HydrophobicContact CD2-CD2 4.15Å; W44-L82 HydrophobicContact CD2-CG 4.38Å; W44-L82 HydrophobicContact CE3-CB 3.92Å; W44-L82 HydrophobicContact CE3-CD2 3.9Å; W44-L82 HydrophobicContact CG-CB 4.2Å; W44-L82 HydrophobicContact CG-CD1 4.39Å; W44-L82 HydrophobicContact CG-CD2 4.46Å; W44-L82 HydrophobicContact CH2-CB 4.11Å; W44-L82 HydrophobicContact CZ2-CB 3.88Å; W44-L82 HydrophobicContact CZ3-CB 4.13Å; W44-L82 HydrophobicContact CZ3-CD2 4.47Å; W44-I96 WeakPolarHBondContact CA-O 3.21Å; W44-C97 HydrophobicContact CE3-CB 4.38Å; W44-C97 HydrophobicContact CH2-CB 4.08Å; W44-C97 HydrophobicContact CZ3-CB 4.01Å
45	L	95.8	Very high	91.5	Very high	33 Å²	33	48.5 Å²	48.5	17%	0.173	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.3	179.9	-49.2	172.1	0	0	0	109.6	H43 I53 V54 Y95 I96 A98	H43-L45 HydrophobicContact CB-CD2 4.4Å; L45-I53 HydrophobicContact CB-CG2 3.98Å; L45-I53 HydrophobicContact CD1-CG2 4.26Å; L45-V54 WeakPolarHBondContact CA-O 3.42Å; L45-Y95 WeakPolarHBondContact O-CA 3.45Å; L45-I96 HydrophobicContact CB-CB 4.2Å; L45-I96 PolarHBondContact N-O 2.98Å; L45-I96 PolarHBondContact O-N 3.07Å; L45-A98 HydrophobicContact CD1-CB 4.44Å
46	Q	95.1	Very high	91.7	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.7	173.2	-171.8	-177.4	26.4	0	0	109	I53 V54 L56 A93 Y95	Q46-I53 CarbonylContact O-C 3.57Å; Q46-I53 WeakPolarHBondContact O-CA 3.4Å; Q46-V54 PolarHBondContact N-O 3.48Å; Q46-V54 PolarHBondContact O-N 2.78Å; Q46-L56 HydrophobicContact CB-CD1 3.99Å; Q46-L56 HydrophobicContact CB-CD2 4Å; Q46-L56 HydrophobicContact CB-CG 4Å; Q46-A93 HydrophobicContact CG-CB 3.46Å; Q46-A93 VanDerWaalsContact CG-CB 3.46Å; Q46-Y95 HydrophobicContact CB-CD1 4.49Å; Q46-Y95 HydrophobicContact CB-CE1 4.36Å; Q46-Y95 HydrophobicContact CG-CD1 4.4Å; Q46-Y95 HydrophobicContact CG-CE1 4Å; Q46-Y95 PolarHBondContact NE2-OH 2.93Å; Q46-Y95 VanDerWaalsContact NE2-OH 3.11Å
47	Q	94.2	Very high	92.1	Very high	54 Å²	54	46.8 Å²	46.8	25%	0.252	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.4	172.8	178.1	-179.6	52.7	0	0	109.7	G52 I53 A93 I94 I96	Q47-G52 WeakPolarHBondContact CA-O 3.24Å; Q47-I53 HydrophobicContact CB-CG1 4.06Å; Q47-I53 HydrophobicContact CG-CG1 4.12Å; Q47-A93 WeakPolarHBondContact O-CB 3.36Å; Q47-I94 HydrophobicContact CB-CB 4.14Å; Q47-I94 PolarHBondContact N-O 2.94Å; Q47-I94 PolarHBondContact O-N 2.84Å; Q47-I96 HydrophobicContact CB-CD1 4.21Å
48	H	90.8	Very high	92.4	Very high	74 Å²	74	50 Å²	50	34%	0.343	32%	0.32	S	S	.	.			trans	-76.1	159	176.9	-63.6	87.6	0	0	0	111.1	G50 G51 G52	H48-G50 PolarHBondContact O-N 3.37Å; H48-G51 PolarHBondContact O-N 3.09Å; H48-G52 PolarHBondContact N-O 3.2Å; H48-G52 PolarHBondContact ND1-O 3.44Å
49	P	82.9	Confident	92.7	Very high	123 Å²	123	48.2 Å²	48.2	80%	0.799	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.9	178	-28.5	35.7	0	0	0	115.2	G51	P49-G51 VanDerWaalsContact C-N 3.29Å; P49-G51 PolarHBondContact O-N 3.32Å
50	G	85.9	Confident	92.7	Very high	81 Å²	81	51 Å²	51	84%	0.835	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	8.1	174.2	0	0	0	0	0	115.4	H48 G52	H48-G50 PolarHBondContact O-N 3.37Å; G50-G52 VanDerWaalsContact C-N 3.34Å; G50-G52 PolarHBondContact O-N 2.92Å
51	G	85.5	Confident	92.5	Very high	41 Å²	41	51.2 Å²	51.2	42%	0.423	33%	0.33	S	S	.	.	S	Bend	trans	87.4	-12.6	176.9	0	0	0	0	0	115.8	H48 P49 I53	H48-G51 PolarHBondContact O-N 3.09Å; P49-G51 VanDerWaalsContact C-N 3.29Å; P49-G51 PolarHBondContact O-N 3.32Å; G51-I53 PolarHBondContact O-N 2.85Å
52	G	93.1	Very high	92.2	Very high	41 Å²	41	57.5 Å²	57.5	42%	0.423	36%	0.358	S	S	.	.			trans	-65.7	126.7	178.4	0	0	0	0	0	112.8	Q47 H48 G50	Q47-G52 WeakPolarHBondContact CA-O 3.24Å; H48-G52 PolarHBondContact N-O 3.2Å; H48-G52 PolarHBondContact ND1-O 3.44Å; G50-G52 VanDerWaalsContact C-N 3.34Å; G50-G52 PolarHBondContact O-N 2.92Å
53	I	94	Very high	92.2	Very high	99 Å²	99	65.3 Å²	65.3	51%	0.508	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.7	179.1	-61	170.5	0	0	0	110.1	L45 Q46 Q47 G51	L45-I53 HydrophobicContact CB-CG2 3.98Å; L45-I53 HydrophobicContact CD1-CG2 4.26Å; Q46-I53 CarbonylContact O-C 3.57Å; Q46-I53 WeakPolarHBondContact O-CA 3.4Å; Q47-I53 HydrophobicContact CB-CG1 4.06Å; Q47-I53 HydrophobicContact CG-CG1 4.12Å; G51-I53 PolarHBondContact O-N 2.85Å
54	V	95.1	Very high	92.3	Very high	71 Å²	71	67.3 Å²	67.3	43%	0.43	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.9	175.7	-178.8	0	0	0	0	109.4	L45 Q46	L45-V54 WeakPolarHBondContact CA-O 3.42Å; Q46-V54 PolarHBondContact N-O 3.48Å; Q46-V54 PolarHBondContact O-N 2.78Å
55	S	95.5	Very high	92.3	Very high	75 Å²	75	74.6 Å²	74.6	52%	0.524	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.6	171	-173.2	0	0	0	0	110
56	L	96.8	Very high	92.3	Very high	29 Å²	29	78.3 Å²	78.3	15%	0.152	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-53.4	174.2	-59.1	175.7	0	0	0	110.2	W44 Q46 L69 L82 Y95	W44-L56 HydrophobicContact CB-CB 4.31Å; W44-L56 WeakPolarHBondContact O-CB 3.23Å; W44-L56 PolarHBondContact O-N 2.85Å; Q46-L56 HydrophobicContact CB-CD1 3.99Å; Q46-L56 HydrophobicContact CB-CD2 4Å; Q46-L56 HydrophobicContact CB-CG 4Å; L56-L69 HydrophobicContact CD1-CD2 4.18Å; L56-L69 HydrophobicContact CD2-CD1 4.41Å; L56-L82 HydrophobicContact CD1-CD2 3.84Å; L56-Y95 HydrophobicContact CD1-CD1 3.93Å; L56-Y95 HydrophobicContact CD1-CE1 3.89Å
57	F	97.6	Very high	92.4	Very high	15 Å²	15	80.2 Å²	80.2	7%	0.066	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150	-176.9	-56.7	-72.5	0	0	0	112.3	H43 W44 L59 K64 N66 L69 A71 L82	H43-F57 VanDerWaalsContact CA-O 3.31Å; H43-F57 WeakPolarHBondContact CA-O 3.39Å; W44-F57 HydrophobicContact CB-CD2 4.48Å; W44-F57 PolarHBondContact N-O 2.83Å; W44-F57 PolarHBondContact O-N 2.9Å; F57-L59 HydrophobicContact CB-CD1 3.71Å; F57-L59 HydrophobicContact CB-CG 4.45Å; F57-K64 HydrophobicContact CD1-CB 3.5Å; F57-K64 VanDerWaalsContact CD1-CB 3.5Å; F57-K64 HydrophobicContact CD1-CD 4.35Å; F57-K64 HydrophobicContact CE1-CB 3.92Å; F57-K64 HydrophobicContact CG-CB 4.19Å; F57-N66 HydrophobicContact CE1-CB 3.73Å; F57-N66 HydrophobicContact CZ-CB 3.81Å; F57-L69 HydrophobicContact CE2-CB 3.79Å; F57-L69 HydrophobicContact CZ-CB 3.84Å; F57-A71 HydrophobicContact CB-CB 4.14Å; F57-A71 HydrophobicContact CD2-CB 3.45Å; F57-A71 VanDerWaalsContact CD2-CB 3.45Å; F57-A71 HydrophobicContact CE2-CB 4Å; F57-A71 HydrophobicContact CG-CB 3.88Å; F57-L82 HydrophobicContact CD2-CD1 4.04Å; F57-L82 HydrophobicContact CE2-CD1 3.85Å
58	M	95.3	Very high	92.5	Very high	102 Å²	102	80 Å²	80	50%	0.502	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.4	162.7	179.5	177.8	86.1	0	0	108.3	L42 H43 K64	L42-M58 CarbonylContact O-C 3.53Å; L42-M58 WeakPolarHBondContact O-CA 3.29Å; H43-M58 VanDerWaalsContact CE1-SD 3.5Å; H43-M58 WeakPolarHBondContact NE2-CG 3.26Å; H43-M58 PolarHBondContact NE2-SD 3.27Å; M58-K64 WeakPolarHBondContact O-CD 3.18Å; M58-K64 WeakPolarHBondContact O-CE 3.24Å; M58-K64 PolarHBondContact O-NZ 2.86Å
59	L	94.9	Very high	92.9	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.2	-174.1	-56.2	94.2	0	0	0	111.3	S41 L42 F57 E62 A71 I73	S41-L59 CarbonylContact C-O 3.59Å; S41-L59 WeakPolarHBondContact CA-O 3.39Å; S41-L59 WeakPolarHBondContact CB-O 3.21Å; L42-L59 HydrophobicContact CD2-CD1 4.22Å; L42-L59 PolarHBondContact N-O 2.84Å; L42-L59 PolarHBondContact O-N 2.85Å; F57-L59 HydrophobicContact CB-CD1 3.71Å; F57-L59 HydrophobicContact CB-CG 4.45Å; L59-E62 WeakPolarHBondContact CD2-O 3.36Å; L59-A71 HydrophobicContact CD1-CB 3.86Å; L59-A71 HydrophobicContact CD2-CB 3.79Å; L59-A71 WeakPolarHBondContact CD2-O 3.25Å; L59-A71 HydrophobicContact CG-CB 4.41Å; L59-I73 HydrophobicContact CB-CB 3.97Å; L59-I73 HydrophobicContact CB-CD1 4.2Å; L59-I73 HydrophobicContact CB-CG2 3.75Å; L59-I73 HydrophobicContact CD2-CB 4.15Å; L59-I73 HydrophobicContact CD2-CG2 4.17Å
60	S	90.1	Very high	93.6	Very high	70 Å²	70	73.9 Å²	73.9	49%	0.49	44%	0.436	S	S	.	.	S	Bend	trans	-133.6	-12.8	177.1	57.1	0	0	0	0	114.4	I75	S60-I75 WeakPolarHBondContact O-CD1 3.46Å
61	S	82.9	Confident	94.2	Very high	88 Å²	88	70 Å²	70	62%	0.615	40%	0.396	S	S	*	.	S	Bend	trans	-169.4	-23.7	-178.8	50.9	0	0	0	0	113.8
62	E	84.4	Confident	94.7	Very high	142 Å²	142	70.1 Å²	70.1	66%	0.664	39%	0.388	S	S	*	.	S	Bend	trans	-125.7	154.2	-172.7	-65.7	-178.8	177.5	0	0	113.3	L59	L59-E62 WeakPolarHBondContact CD2-O 3.36Å
63	K	94.1	Very high	94.9	Very high	165 Å²	165	69.2 Å²	69.2	72%	0.717	37%	0.374	S	S	*	.			trans	-64.2	142.7	169.5	72.8	-175.7	-178.2	-173.4	0	110.7	A71 T72	K63-A71 CarbonylContact C-O 3.54Å; K63-A71 VanDerWaalsContact CA-O 3.24Å; K63-A71 WeakPolarHBondContact CA-O 3.3Å; K63-T72 HydrophobicContact CB-CG2 4.34Å
64	K	97.2	Very high	94.9	Very high	93 Å²	93	67.7 Å²	67.7	40%	0.404	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.9	174.8	-69.2	-169.5	171.8	-177.4	0	110.7	F57 M58 I70 A71	F57-K64 HydrophobicContact CD1-CB 3.5Å; F57-K64 VanDerWaalsContact CD1-CB 3.5Å; F57-K64 HydrophobicContact CD1-CD 4.35Å; F57-K64 HydrophobicContact CE1-CB 3.92Å; F57-K64 HydrophobicContact CG-CB 4.19Å; M58-K64 WeakPolarHBondContact O-CD 3.18Å; M58-K64 WeakPolarHBondContact O-CE 3.24Å; M58-K64 PolarHBondContact O-NZ 2.86Å; K64-I70 CarbonylContact O-C 3.55Å; K64-I70 WeakPolarHBondContact O-CA 3.47Å; K64-A71 PolarHBondContact N-O 3.02Å; K64-A71 PolarHBondContact O-N 2.73Å
65	K	97.3	Very high	94.6	Very high	153 Å²	153	67.7 Å²	67.7	67%	0.665	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.9	178.5	178.7	174.9	-178.3	-177.6	0	109.8	G67 L69 I70	K65-G67 WeakPolarHBondContact CE-O 3.2Å; K65-L69 CarbonylContact C-O 3.57Å; K65-L69 WeakPolarHBondContact CA-O 2.98Å; K65-I70 HydrophobicContact CB-CG1 4.22Å; K65-I70 HydrophobicContact CD-CD1 4.38Å; K65-I70 HydrophobicContact CD-CG1 3.99Å; K65-I70 HydrophobicContact CG-CG1 3.82Å
66	N	96.4	Very high	94.3	Very high	111 Å²	111	72.5 Å²	72.5	59%	0.594	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	108.8	169.7	-177.7	17	0	0	0	108.8	F57 R68 L69	F57-N66 HydrophobicContact CE1-CB 3.73Å; F57-N66 HydrophobicContact CZ-CB 3.81Å; N66-R68 PolarHBondContact O-N 2.89Å; N66-R68 VanDerWaalsContact O-N 3.07Å; N66-L69 PolarHBondContact N-O 2.89Å; N66-L69 PolarHBondContact O-N 2.75Å
67	G	96.4	Very high	94.2	Very high	58 Å²	58	77.7 Å²	77.7	60%	0.598	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-114.3	-173.8	0	0	0	0	0	112	K65	K65-G67 WeakPolarHBondContact CE-O 3.2Å
68	R	97.1	Very high	94	Very high	48 Å²	48	82.3 Å²	82.3	18%	0.181	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-14.1	-178.9	-68.3	-177.2	-57.2	105.4	3.6	114.1	N66 A85 A86 D91	N66-R68 PolarHBondContact O-N 2.89Å; N66-R68 VanDerWaalsContact O-N 3.07Å; R68-A85 WeakPolarHBondContact CB-O 3.47Å; R68-A85 WeakPolarHBondContact CD-O 3.31Å; R68-A85 PolarHBondContact NH1-O 2.89Å; R68-A85 VanDerWaalsContact NH1-O 3.09Å; R68-A85 PolarHBondContact O-N 2.77Å; R68-A86 WeakPolarHBondContact CD-O 3Å; R68-A86 PolarHBondContact NH1-O 2.85Å; R68-D91 IonicContact CZ-OD1 3.91Å; R68-D91 IonicContact CZ-OD2 3.41Å; R68-D91 IonicContact NH1-OD1 3.65Å; R68-D91 IonicContact NH1-OD2 3.91Å; R68-D91 PolarHBondContact NH1-OD2 3.43Å; R68-D91 IonicContact NH2-OD1 2.79Å; R68-D91 PolarHBondContact NH2-OD1 2.86Å; R68-D91 IonicContact NH2-OD2 3.09Å; R68-D91 PolarHBondContact NH2-OD2 2.81Å; R68-D91 VanDerWaalsContact NH2-OD2 3.09Å
69	L	97.8	Very high	94	Very high	23 Å²	23	80 Å²	80	12%	0.12	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.7	-177.3	-68.7	135	0	0	0	110.4	L56 F57 K65 N66 L82 H83 I84 Y95	L56-L69 HydrophobicContact CD1-CD2 4.18Å; L56-L69 HydrophobicContact CD2-CD1 4.41Å; F57-L69 HydrophobicContact CE2-CB 3.79Å; F57-L69 HydrophobicContact CZ-CB 3.84Å; K65-L69 CarbonylContact C-O 3.57Å; K65-L69 WeakPolarHBondContact CA-O 2.98Å; N66-L69 PolarHBondContact N-O 2.89Å; N66-L69 PolarHBondContact O-N 2.75Å; L69-L82 HydrophobicContact CD2-CD1 4.11Å; L69-L82 HydrophobicContact CD2-CD2 4.48Å; L69-H83 CarbonylContact C-O 3.56Å; L69-H83 VanDerWaalsContact CA-O 3.32Å; L69-H83 WeakPolarHBondContact CA-O 3.41Å; L69-I84 HydrophobicContact CD2-CG1 3.82Å; L69-Y95 HydrophobicContact CD2-CE1 4.48Å
70	I	98.3	Very high	94.1	Very high	46 Å²	46	80 Å²	80	24%	0.236	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.6	176.7	-56.2	163.8	0	0	0	108.2	K64 K65 L82 H83	K64-I70 CarbonylContact O-C 3.55Å; K64-I70 WeakPolarHBondContact O-CA 3.47Å; K65-I70 HydrophobicContact CB-CG1 4.22Å; K65-I70 HydrophobicContact CD-CD1 4.38Å; K65-I70 HydrophobicContact CD-CG1 3.99Å; K65-I70 HydrophobicContact CG-CG1 3.82Å; I70-L82 CarbonylContact O-C 3.52Å; I70-H83 HydrophobicContact CB-CB 4.22Å; I70-H83 PolarHBondContact N-O 2.87Å; I70-H83 PolarHBondContact O-N 2.82Å
71	A	98.1	Very high	94.4	Very high	0 Å²	0	77 Å²	77	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.2	172.7	0	0	0	0	0	111.1	F57 L59 K63 K64 S81 L82	F57-A71 HydrophobicContact CB-CB 4.14Å; F57-A71 HydrophobicContact CD2-CB 3.45Å; F57-A71 VanDerWaalsContact CD2-CB 3.45Å; F57-A71 HydrophobicContact CE2-CB 4Å; F57-A71 HydrophobicContact CG-CB 3.88Å; L59-A71 HydrophobicContact CD1-CB 3.86Å; L59-A71 HydrophobicContact CD2-CB 3.79Å; L59-A71 WeakPolarHBondContact CD2-O 3.25Å; L59-A71 HydrophobicContact CG-CB 4.41Å; K63-A71 CarbonylContact C-O 3.54Å; K63-A71 VanDerWaalsContact CA-O 3.24Å; K63-A71 WeakPolarHBondContact CA-O 3.3Å; K64-A71 PolarHBondContact N-O 3.02Å; K64-A71 PolarHBondContact O-N 2.73Å; A71-S81 CarbonylContact C-O 3.52Å; A71-S81 VanDerWaalsContact CA-O 3.23Å; A71-S81 WeakPolarHBondContact CA-O 3.45Å; A71-L82 HydrophobicContact CB-CD1 4.18Å
72	T	97.4	Very high	95.1	Very high	43 Å²	43	72.8 Å²	72.8	26%	0.264	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.8	174.6	76.8	0	0	0	0	110.3	K63 S80 S81	K63-T72 HydrophobicContact CB-CG2 4.34Å; T72-S80 VanDerWaalsContact O-CA 3.28Å; T72-S80 WeakPolarHBondContact O-CA 3.46Å; T72-S80 VanDerWaalsContact O-CB 3.27Å; T72-S80 WeakPolarHBondContact O-CB 3.3Å; T72-S80 PolarHBondContact O-OG 2.91Å; T72-S81 PolarHBondContact N-O 2.56Å; T72-S81 PolarHBondContact O-N 2.9Å; T72-S81 PolarHBondContact OG1-N 2.9Å; T72-S81 PolarHBondContact OG1-OG 2.74Å
73	I	95.8	Very high	95.7	Very high	22 Å²	22	67.8 Å²	67.8	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.5	171	-167.7	175.1	0	0	0	109.1	I39 L42 L59 I75	I39-I73 HydrophobicContact CD1-CD1 4.24Å; L42-I73 HydrophobicContact CB-CD1 3.75Å; L59-I73 HydrophobicContact CB-CB 3.97Å; L59-I73 HydrophobicContact CB-CD1 4.2Å; L59-I73 HydrophobicContact CB-CG2 3.75Å; L59-I73 HydrophobicContact CD2-CB 4.15Å; L59-I73 HydrophobicContact CD2-CG2 4.17Å; I73-I75 HydrophobicContact CD1-CD1 4.42Å; I73-I75 HydrophobicContact CD1-CG1 3.9Å; I73-I75 HydrophobicContact CG1-CG1 4.12Å
74	N	93.9	Very high	95.9	Very high	68 Å²	68	60 Å²	60	36%	0.364	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	105.2	165.5	-173.1	-27.3	0	0	0	107.8	Y35 Q76 E77 R78 H79	Y35-N74 PolarHBondContact OH-O 2.79Å; N74-Q76 VanDerWaalsContact C-N 3.34Å; N74-Q76 PolarHBondContact OD1-N 2.78Å; N74-E77 HydrophobicContact CB-CB 4.12Å; N74-E77 HydrophobicContact CB-CG 4.49Å; N74-E77 WeakPolarHBondContact ND2-CG 3.5Å; N74-E77 PolarHBondContact OD1-N 2.9Å; N74-R78 PolarHBondContact O-N 2.76Å; N74-H79 PolarHBondContact N-O 3.28Å; N74-H79 PolarHBondContact O-N 2.85Å
75	I	89.7	Confident	95.9	Very high	71 Å²	71	57 Å²	57	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-34.4	-177.8	-65.6	174.7	0	0	0	111.2	Y35 S60 I73 R78	Y35-I75 WeakPolarHBondContact OH-CA 3.4Å; S60-I75 WeakPolarHBondContact O-CD1 3.46Å; I73-I75 HydrophobicContact CD1-CD1 4.42Å; I73-I75 HydrophobicContact CD1-CG1 3.9Å; I73-I75 HydrophobicContact CG1-CG1 4.12Å; I75-R78 PolarHBondContact O-N 2.9Å
76	Q	89.4	Confident	95.9	Very high	175 Å²	175	52 Å²	52	82%	0.818	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-46.3	-179.7	-65.4	179.3	-8.1	0	0	110.9	N74 R78	N74-Q76 VanDerWaalsContact C-N 3.34Å; N74-Q76 PolarHBondContact OD1-N 2.78Å; Q76-R78 PolarHBondContact O-N 2.92Å
77	E	93.4	Very high	95.8	Very high	138 Å²	138	46.7 Å²	46.7	65%	0.645	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	1.6	176.7	-59.7	-58.5	150.6	0	0	113.3	N74 H79	N74-E77 HydrophobicContact CB-CB 4.12Å; N74-E77 HydrophobicContact CB-CG 4.49Å; N74-E77 WeakPolarHBondContact ND2-CG 3.5Å; N74-E77 PolarHBondContact OD1-N 2.9Å; E77-H79 HydrophobicContact CB-CB 4.44Å; E77-H79 PolarHBondContact O-N 2.85Å
78	R	93.8	Very high	95.8	Very high	112 Å²	112	46.6 Å²	46.6	42%	0.423	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	44.1	-179.2	-56.2	-177.2	179.7	-164	-4.7	113.7	S34 Y35 S36 N74 I75 Q76	S34-R78 WeakPolarHBondContact CA-O 3.5Å; Y35-R78 WeakPolarHBondContact CD1-O 3.49Å; Y35-R78 HydrophobicContact CD2-CB 3.75Å; Y35-R78 HydrophobicContact CD2-CG 4.27Å; Y35-R78 WeakPolarHBondContact CE1-O 3.28Å; Y35-R78 VanDerWaalsContact CE2-CA 3.44Å; Y35-R78 HydrophobicContact CE2-CB 3.57Å; Y35-R78 HydrophobicContact CE2-CG 3.95Å; Y35-R78 HydrophobicContact CG-CB 4.35Å; Y35-R78 PolarHBondContact N-O 2.71Å; Y35-R78 WeakPolarHBondContact O-CB 3.41Å; Y35-R78 WeakPolarHBondContact O-CD 3.07Å; Y35-R78 WeakPolarHBondContact OH-CA 3.24Å; S36-R78 PolarHBondContact O-NH1 2.99Å; N74-R78 PolarHBondContact O-N 2.76Å; I75-R78 PolarHBondContact O-N 2.9Å; Q76-R78 PolarHBondContact O-N 2.92Å
79	H	95.2	Very high	95.5	Very high	54 Å²	54	48.3 Å²	48.3	25%	0.25	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.6	-171.4	-176.1	-96.7	0	0	0	111.8	C33 N74 E77	C33-H79 CarbonylContact O-C 3.49Å; C33-H79 WeakPolarHBondContact O-CA 3.32Å; C33-H79 PolarHBondContact O-CD2 2.93Å; N74-H79 PolarHBondContact N-O 3.28Å; N74-H79 PolarHBondContact O-N 2.85Å; E77-H79 HydrophobicContact CB-CB 4.44Å; E77-H79 PolarHBondContact O-N 2.85Å
80	S	96.6	Very high	95.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.9	171.2	179.7	0	0	0	0	110	N32 C33 L42 W44 T72	N32-S80 CarbonylContact C-O 3.56Å; C33-S80 PolarHBondContact N-O 2.91Å; C33-S80 PolarHBondContact O-N 3.29Å; L42-S80 WeakPolarHBondContact CD2-OG 3.46Å; W44-S80 PolarHBondContact NE1-OG 2.81Å; T72-S80 VanDerWaalsContact O-CA 3.28Å; T72-S80 WeakPolarHBondContact O-CA 3.46Å; T72-S80 VanDerWaalsContact O-CB 3.27Å; T72-S80 WeakPolarHBondContact O-CB 3.3Å; T72-S80 PolarHBondContact O-OG 2.91Å
81	S	97.3	Very high	95	Very high	7 Å²	7	53.7 Å²	53.7	5%	0.049	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.7	171.7	63.9	0	0	0	0	110.9	I31 A71 T72 H83	I31-S81 CarbonylContact O-C 3.51Å; I31-S81 VanDerWaalsContact O-CA 3.3Å; I31-S81 WeakPolarHBondContact O-CA 3.32Å; A71-S81 CarbonylContact C-O 3.52Å; A71-S81 VanDerWaalsContact CA-O 3.23Å; A71-S81 WeakPolarHBondContact CA-O 3.45Å; T72-S81 PolarHBondContact N-O 2.56Å; T72-S81 PolarHBondContact O-N 2.9Å; T72-S81 PolarHBondContact OG1-N 2.9Å; T72-S81 PolarHBondContact OG1-OG 2.74Å; S81-H83 PolarHBondContact OG-CE1 2.72Å; S81-H83 PolarHBondContact OG-NE2 3.29Å
82	L	98	Very high	94.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.4	164.2	179.2	68.3	0	0	0	108.6	T30 I31 W44 L56 F57 L69 I70 A71 Y95	T30-L82 WeakPolarHBondContact CA-O 3.24Å; I31-L82 HydrophobicContact CB-CB 4.41Å; I31-L82 PolarHBondContact N-O 3.11Å; I31-L82 PolarHBondContact O-N 2.79Å; W44-L82 HydrophobicContact CD2-CB 3.67Å; W44-L82 HydrophobicContact CD2-CD2 4.15Å; W44-L82 HydrophobicContact CD2-CG 4.38Å; W44-L82 HydrophobicContact CE3-CB 3.92Å; W44-L82 HydrophobicContact CE3-CD2 3.9Å; W44-L82 HydrophobicContact CG-CB 4.2Å; W44-L82 HydrophobicContact CG-CD1 4.39Å; W44-L82 HydrophobicContact CG-CD2 4.46Å; W44-L82 HydrophobicContact CH2-CB 4.11Å; W44-L82 HydrophobicContact CZ2-CB 3.88Å; W44-L82 HydrophobicContact CZ3-CB 4.13Å; W44-L82 HydrophobicContact CZ3-CD2 4.47Å; L56-L82 HydrophobicContact CD1-CD2 3.84Å; F57-L82 HydrophobicContact CD2-CD1 4.04Å; F57-L82 HydrophobicContact CE2-CD1 3.85Å; L69-L82 HydrophobicContact CD2-CD1 4.11Å; L69-L82 HydrophobicContact CD2-CD2 4.48Å; I70-L82 CarbonylContact O-C 3.52Å; A71-L82 HydrophobicContact CB-CD1 4.18Å; L82-Y95 HydrophobicContact CD2-CD1 3.4Å; L82-Y95 HydrophobicContact CD2-CE1 3.88Å; L82-Y95 HydrophobicContact CD2-CG 4.25Å
83	H	97.5	Very high	94.6	Very high	37 Å²	37	53.8 Å²	53.8	17%	0.171	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.5	176.7	-53	-71.1	0	0	0	110.4	F28 I29 T30 L69 I70 S81	F28-H83 HydrophobicContact CE1-CB 4.42Å; F28-H83 AromaticContact CE1-ND1 3.81Å; F28-H83 HydrophobicContact CE2-CB 3.9Å; F28-H83 HydrophobicContact CZ-CB 3.57Å; F28-H83 AromaticContact CZ-CG 3.67Å; F28-H83 AromaticContact CZ-ND1 3.54Å; I29-H83 CarbonylContact O-C 3.48Å; I29-H83 VanDerWaalsContact O-CA 3.24Å; I29-H83 WeakPolarHBondContact O-CA 3.5Å; T30-H83 VanDerWaalsContact CG2-CE1 3.5Å; T30-H83 WeakPolarHBondContact CG2-CE1 3.29Å; T30-H83 WeakPolarHBondContact CG2-ND1 3.42Å; T30-H83 PolarHBondContact OG1-ND1 3.47Å; L69-H83 CarbonylContact C-O 3.56Å; L69-H83 VanDerWaalsContact CA-O 3.32Å; L69-H83 WeakPolarHBondContact CA-O 3.41Å; I70-H83 HydrophobicContact CB-CB 4.22Å; I70-H83 PolarHBondContact N-O 2.87Å; I70-H83 PolarHBondContact O-N 2.82Å; S81-H83 PolarHBondContact OG-CE1 2.72Å; S81-H83 PolarHBondContact OG-NE2 3.29Å
84	I	97.4	Very high	94.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.1	175	-54	167.2	0	0	0	106.7	L3 F28 I29 L69 D91 Y95	L3-I84 HydrophobicContact CD2-CD1 3.45Å; L3-I84 VanDerWaalsContact CD2-CD1 3.45Å; F28-I84 WeakPolarHBondContact CA-O 3.06Å; I29-I84 HydrophobicContact CB-CB 4.33Å; I29-I84 PolarHBondContact N-O 3.42Å; I29-I84 PolarHBondContact O-N 2.81Å; L69-I84 HydrophobicContact CD2-CG1 3.82Å; I84-D91 HydrophobicContact CG2-CB 4.43Å; I84-Y95 HydrophobicContact CD1-CE1 3.93Å; I84-Y95 HydrophobicContact CD1-CE2 4.01Å; I84-Y95 WeakPolarHBondContact CD1-OH 3.38Å
85	A	97.4	Very high	94.6	Very high	30 Å²	30	52.3 Å²	52.3	25%	0.248	26%	0.262	C	S	.	.	S	Bend	trans	-82.8	149.5	174.3	0	0	0	0	0	110.7	F28 R68 S87	F28-A85 HydrophobicContact CD2-CB 4.09Å; F28-A85 HydrophobicContact CE2-CB 4.5Å; R68-A85 WeakPolarHBondContact CB-O 3.47Å; R68-A85 WeakPolarHBondContact CD-O 3.31Å; R68-A85 PolarHBondContact NH1-O 2.89Å; R68-A85 VanDerWaalsContact NH1-O 3.09Å; R68-A85 PolarHBondContact O-N 2.77Å; A85-S87 PolarHBondContact O-N 3.46Å
86	A	96.6	Very high	94.8	Very high	49 Å²	49	49.7 Å²	49.7	41%	0.405	25%	0.249	S	C	.	.	S	Bend	trans	45.7	59.7	175.1	0	0	0	0	0	111.9	G26 E27 R68	G26-A86 WeakPolarHBondContact O-CA 3.24Å; E27-A86 PolarHBondContact O-N 3.48Å; R68-A86 WeakPolarHBondContact CD-O 3Å; R68-A86 PolarHBondContact NH1-O 2.85Å
87	S	95.1	Very high	95.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.			trans	-49.5	141.1	-174.7	-69.7	0	0	0	0	112.4	E25 G26 E27 I29 A85	E25-S87 CarbonylContact C-O 3.59Å; E25-S87 WeakPolarHBondContact CA-O 3.17Å; E25-S87 WeakPolarHBondContact CG-O 2.96Å; G26-S87 PolarHBondContact N-O 2.03Å; E27-S87 VanDerWaalsContact O-CB 3.29Å; E27-S87 WeakPolarHBondContact O-CB 3.25Å; E27-S87 PolarHBondContact O-N 2.88Å; E27-S87 PolarHBondContact O-OG 2.76Å; I29-S87 WeakPolarHBondContact CG1-OG 3.49Å; A85-S87 PolarHBondContact O-N 3.46Å
88	Q	95.3	Very high	95	Very high	56 Å²	56	35.7 Å²	35.7	26%	0.262	19%	0.187	S	C	.	.			trans	-131.3	155.7	-177.2	-68.7	179.2	-12.7	0	0	111.1	M1 R90 D91	M1-Q88 WeakPolarHBondContact CE-O 3.37Å; Q88-R90 HydrophobicContact CB-CG 4.08Å; Q88-R90 PolarHBondContact O-N 2.77Å; Q88-D91 PolarHBondContact N-OD2 2.95Å; Q88-D91 WeakPolarHBondContact O-CB 3.28Å; Q88-D91 PolarHBondContact O-N 2.81Å
89	P	91.9	Very high	94.9	Very high	84 Å²	84	31.6 Å²	31.6	55%	0.545	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-49.7	-35.7	-178.2	-30.8	35.9	0	0	0	114.9	D91 S92	P89-D91 PolarHBondContact O-N 3.09Å; P89-S92 VanDerWaalsContact O-CB 3.3Å; P89-S92 WeakPolarHBondContact O-CB 3.27Å; P89-S92 PolarHBondContact O-N 2.77Å; P89-S92 VanDerWaalsContact O-N 3.12Å; P89-S92 PolarHBondContact O-OG 3.46Å
90	R	90.9	Very high	94.6	Very high	174 Å²	174	36.8 Å²	36.8	66%	0.657	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-66.2	-16.1	177.3	65.4	175.8	168.9	174.8	-3.1	115.5	Q88 S92	Q88-R90 HydrophobicContact CB-CG 4.08Å; Q88-R90 PolarHBondContact O-N 2.77Å; R90-S92 PolarHBondContact O-N 2.82Å
91	D	93.5	Very high	93.8	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-79.1	-4.5	175.2	-51.4	-36.7	0	0	0	111.1	M1 R68 I84 Q88 P89 A93 Y95	M1-D91 HydrophobicContact CE-CB 3.7Å; R68-D91 IonicContact CZ-OD1 3.91Å; R68-D91 IonicContact CZ-OD2 3.41Å; R68-D91 IonicContact NH1-OD1 3.65Å; R68-D91 IonicContact NH1-OD2 3.91Å; R68-D91 PolarHBondContact NH1-OD2 3.43Å; R68-D91 IonicContact NH2-OD1 2.79Å; R68-D91 PolarHBondContact NH2-OD1 2.86Å; R68-D91 IonicContact NH2-OD2 3.09Å; R68-D91 PolarHBondContact NH2-OD2 2.81Å; R68-D91 VanDerWaalsContact NH2-OD2 3.09Å; I84-D91 HydrophobicContact CG2-CB 4.43Å; Q88-D91 PolarHBondContact N-OD2 2.95Å; Q88-D91 WeakPolarHBondContact O-CB 3.28Å; Q88-D91 PolarHBondContact O-N 2.81Å; P89-D91 PolarHBondContact O-N 3.09Å; D91-A93 PolarHBondContact O-N 3.41Å; D91-Y95 WeakPolarHBondContact CB-OH 3.22Å; D91-Y95 VanDerWaalsContact O-CE2 3.31Å; D91-Y95 WeakPolarHBondContact O-CE2 3.36Å; D91-Y95 PolarHBondContact O-OH 2.75Å
92	S	93.3	Very high	92.4	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	23%	0.225	S	C	.	.			trans	-64.8	104.4	173.6	-52.5	0	0	0	0	110.4	M1 S2 P89 R90	M1-S92 VanDerWaalsContact CB-OG 3.31Å; M1-S92 WeakPolarHBondContact CB-OG 3.07Å; S2-S92 VanDerWaalsContact O-CA 3.29Å; S2-S92 WeakPolarHBondContact O-CA 3.38Å; S2-S92 WeakPolarHBondContact O-CB 3.05Å; P89-S92 VanDerWaalsContact O-CB 3.3Å; P89-S92 WeakPolarHBondContact O-CB 3.27Å; P89-S92 PolarHBondContact O-N 2.77Å; P89-S92 VanDerWaalsContact O-N 3.12Å; P89-S92 PolarHBondContact O-OG 3.46Å; R90-S92 PolarHBondContact O-N 2.82Å
93	A	94.7	Very high	90.7	Very high	8 Å²	8	47.3 Å²	47.3	7%	0.066	26%	0.259	C	S	.	.	S	Bend	trans	-162.8	174.3	-172.5	0	0	0	0	0	111.2	R4 Q46 Q47 D91 Y95	R4-A93 PolarHBondContact N-O 2.77Å; Q46-A93 HydrophobicContact CG-CB 3.46Å; Q46-A93 VanDerWaalsContact CG-CB 3.46Å; Q47-A93 WeakPolarHBondContact O-CB 3.36Å; D91-A93 PolarHBondContact O-N 3.41Å; A93-Y95 HydrophobicContact CB-CE2 4.01Å
94	I	94.5	Very high	88.6	Confident	58 Å²	58	53.1 Å²	53.1	30%	0.297	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124	164.6	-62.5	166.5	0	0	0	108	R4 G6 Q47 I96	R4-I94 HydrophobicContact CB-CG1 4.2Å; R4-I94 CarbonylContact O-C 3.52Å; R4-I94 VanDerWaalsContact O-CA 3.28Å; R4-I94 WeakPolarHBondContact O-CA 3.33Å; G6-I94 VanDerWaalsContact CA-CG2 3.49Å; Q47-I94 HydrophobicContact CB-CB 4.14Å; Q47-I94 PolarHBondContact N-O 2.94Å; Q47-I94 PolarHBondContact O-N 2.84Å; I94-I96 HydrophobicContact CG2-CD1 4.35Å; I94-I96 HydrophobicContact CG2-CG1 3.93Å
95	Y	95.3	Very high	86.4	Confident	1 Å²	1	61.7 Å²	61.7	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.6	177.6	-69.8	-91.3	0	0	0	110.8	L3 R4 T5 G6 Q16 I31 L45 Q46 L56 L69 L82 I84 D91 A93	L3-Y95 HydrophobicContact CB-CD2 4.4Å; L3-Y95 HydrophobicContact CB-CE2 4.25Å; L3-Y95 HydrophobicContact CD2-CD2 4.25Å; L3-Y95 HydrophobicContact CD2-CE2 3.58Å; L3-Y95 HydrophobicContact CG-CE2 3.93Å; R4-Y95 PolarHBondContact O-N 3.17Å; T5-Y95 WeakPolarHBondContact CA-O 3.39Å; G6-Y95 PolarHBondContact N-O 3.27Å; Q16-Y95 PolarHBondContact NE2-O 3.17Å; I31-Y95 HydrophobicContact CD1-CD1 4.3Å; I31-Y95 HydrophobicContact CD1-CD2 3.67Å; I31-Y95 HydrophobicContact CD1-CE2 4.43Å; I31-Y95 HydrophobicContact CD1-CG 3.58Å; L45-Y95 WeakPolarHBondContact O-CA 3.45Å; Q46-Y95 HydrophobicContact CB-CD1 4.49Å; Q46-Y95 HydrophobicContact CB-CE1 4.36Å; Q46-Y95 HydrophobicContact CG-CD1 4.4Å; Q46-Y95 HydrophobicContact CG-CE1 4Å; Q46-Y95 PolarHBondContact NE2-OH 2.93Å; Q46-Y95 VanDerWaalsContact NE2-OH 3.11Å; L56-Y95 HydrophobicContact CD1-CD1 3.93Å; L56-Y95 HydrophobicContact CD1-CE1 3.89Å; L69-Y95 HydrophobicContact CD2-CE1 4.48Å; L82-Y95 HydrophobicContact CD2-CD1 3.4Å; L82-Y95 HydrophobicContact CD2-CE1 3.88Å; L82-Y95 HydrophobicContact CD2-CG 4.25Å; I84-Y95 HydrophobicContact CD1-CE1 3.93Å; I84-Y95 HydrophobicContact CD1-CE2 4.01Å; I84-Y95 WeakPolarHBondContact CD1-OH 3.38Å; D91-Y95 WeakPolarHBondContact CB-OH 3.22Å; D91-Y95 VanDerWaalsContact O-CE2 3.31Å; D91-Y95 WeakPolarHBondContact O-CE2 3.36Å; D91-Y95 PolarHBondContact O-OH 2.75Å; A93-Y95 HydrophobicContact CB-CE2 4.01Å
96	I	94.7	Very high	83.7	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.077	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.7	-169.5	-56.3	172.7	0	0	0	110.2	G6 S8 W44 L45 Q47 I94	G6-I96 VanDerWaalsContact O-CA 3.24Å; G6-I96 WeakPolarHBondContact O-CA 3.43Å; S8-I96 WeakPolarHBondContact OG-CG2 3.3Å; W44-I96 WeakPolarHBondContact CA-O 3.21Å; L45-I96 HydrophobicContact CB-CB 4.2Å; L45-I96 PolarHBondContact N-O 2.98Å; L45-I96 PolarHBondContact O-N 3.07Å; Q47-I96 HydrophobicContact CB-CD1 4.21Å; I94-I96 HydrophobicContact CG2-CD1 4.35Å; I94-I96 HydrophobicContact CG2-CG1 3.93Å
97	C	94.4	Very high	81.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.1	166.3	-172.5	0	0	0	0	108.8	S8 V14 Q16 C33 L42 W44	S8-C97 PolarHBondContact OG-O 2.95Å; V14-C97 HydrophobicContact CG1-CB 4.18Å; Q16-C97 VanDerWaalsContact CD-CB 3.45Å; Q16-C97 HydrophobicContact CG-CB 3.85Å; C33-C97 HydrophobicContact CB-CB 3.6Å; C33-C97 WeakPolarHBondContact CB-SG 3.38Å; C33-C97 WeakPolarHBondContact SG-CB 3.07Å; C33-C97 CovalentContact SG-SG 2.03Å; C33-C97 PolarHBondContact SG-SG 3Å; L42-C97 VanDerWaalsContact CD1-SG 3.51Å; W44-C97 HydrophobicContact CE3-CB 4.38Å; W44-C97 HydrophobicContact CH2-CB 4.08Å; W44-C97 HydrophobicContact CZ3-CB 4.01Å
98	A	92.7	Very high	78.9	Confident	20 Å²	20	72.1 Å²	72.1	17%	0.165	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.8	173.7	0	0	0	0	0	109.4	S8 L42 H43 L45	S8-A98 VanDerWaalsContact OG-CB 3.29Å; S8-A98 WeakPolarHBondContact OG-CB 3.31Å; L42-A98 CarbonylContact C-O 3.55Å; L42-A98 WeakPolarHBondContact CA-O 3.48Å; H43-A98 HydrophobicContact CB-CB 4.26Å; H43-A98 PolarHBondContact N-O 2.84Å; H43-A98 PolarHBondContact O-N 2.87Å; L45-A98 HydrophobicContact CD1-CB 4.44Å
99	V	90.9	Very high	76.5	Confident	26 Å²	26	74.2 Å²	74.2	16%	0.158	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145	178.3	-65.3	0	0	0	0	110.8	V14 Y35 I37 I39 L42	V14-V99 HydrophobicContact CG2-CB 4.48Å; V14-V99 HydrophobicContact CG2-CG1 4.06Å; V14-V99 HydrophobicContact CG2-CG2 3.65Å; Y35-V99 HydrophobicContact CD1-CG1 3.97Å; Y35-V99 HydrophobicContact CG-CG1 4.04Å; I37-V99 HydrophobicContact CD1-CG2 4.08Å; I39-V99 HydrophobicContact CB-CB 4.44Å; I39-V99 HydrophobicContact CD1-CB 4.44Å; I39-V99 HydrophobicContact CD1-CG1 4.06Å; I39-V99 HydrophobicContact CG2-CB 3.73Å; I39-V99 HydrophobicContact CG2-CG1 4.12Å; I39-V99 HydrophobicContact CG2-CG2 4.23Å; L42-V99 HydrophobicContact CD1-CG1 4.13Å; L42-V99 HydrophobicContact CG-CG1 4.39Å
100	R	87.8	Confident	74.2	Confident	163 Å²	163	82.1 Å²	82.1	62%	0.615	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.4	171.1	-170.3	-179	-177.9	-152.2	0.5	108.9	I39 N40 S41	I39-R100 CarbonylContact C-O 3.57Å; I39-R100 VanDerWaalsContact CA-O 3.29Å; I39-R100 WeakPolarHBondContact CA-O 3.45Å; I39-R100 WeakPolarHBondContact CB-O 3.36Å; N40-R100 PolarHBondContact N-O 3.34Å; S41-R100 PolarHBondContact O-N 3.31Å
101	H	80	Confident	72.5	Confident	95 Å²	95	83.9 Å²	83.9	44%	0.44	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	138.5	178.7	-67.2	-159.6	0	0	0	111	E13 I37 N40	E13-H101 IonicContact OE1-CE1 3.74Å; E13-H101 IonicContact OE1-NE2 3.83Å; E13-H101 IonicContact OE2-CD2 3.73Å; E13-H101 IonicContact OE2-CE1 3.36Å; E13-H101 PolarHBondContact OE2-CE1 3.27Å; E13-H101 IonicContact OE2-NE2 3.52Å; E13-H101 PolarHBondContact OE2-NE2 3.19Å; I37-H101 WeakPolarHBondContact CD1-CD2 3.39Å; I37-H101 WeakPolarHBondContact CD1-NE2 3.21Å; N40-H101 PolarHBondContact ND2-O 3.06Å
102	S	68.9	Low	71.4	Confident	46 Å²	46	87.7 Å²	87.7	32%	0.322	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-71.9	134.1	154.4	46.6	0	0	0	0	107.2	G38 N40 L104	G38-S102 PolarHBondContact O-N 2.96Å; G38-S102 VanDerWaalsContact O-N 3.17Å; G38-S102 PolarHBondContact O-OG 2.99Å; N40-S102 WeakPolarHBondContact OD1-CA 3.5Å; N40-S102 VanDerWaalsContact OD1-CB 3.24Å; N40-S102 WeakPolarHBondContact OD1-CB 3.42Å; S102-L104 PolarHBondContact O-N 3.04Å
103	A	62.2	Low	70.3	Confident	86 Å²	86	90.3 Å²	90.3	71%	0.711	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-52.6	142.8	-179.2	0	0	0	0	0	110.5	Q105	A103-Q105 PolarHBondContact O-N 3.06Å
104	L	52.9	Low	68.9	Low	160 Å²	160	94.9 Å²	94.9	84%	0.838	54%	0.536	S	S	*	.			trans	-51.2	110.9	168	-103.8	144.1	0	0	0	108	S102 V106	S102-L104 PolarHBondContact O-N 3.04Å; L104-V106 PolarHBondContact O-N 2.92Å
105	Q	51.5	Low	67.4	Low	179 Å²	179	97.1 Å²	97.1	84%	0.836	55%	0.55	S	S	*	.			trans	-67.1	96	159.6	-67.6	-176.7	25.2	0	0	105.3	A103 P107	A103-Q105 PolarHBondContact O-N 3.06Å; Q105-P107 WeakPolarHBondContact O-CD 3.1Å; Q105-P107 VanDerWaalsContact O-N 3.17Å
106	V	40.6	Very low	65.7	Low	116 Å²	116	103.1 Å²	103.1	70%	0.703	58%	0.584	S	S	*	*			trans	-62.9	112.6	166.7	-177.8	0	0	0	0	105.6	L104 G108	L104-V106 PolarHBondContact O-N 2.92Å; V106-G108 PolarHBondContact O-N 2.73Å
107	P	46.3	Very low	63.7	Low	122 Å²	122	108.9 Å²	108.9	79%	0.792	62%	0.617	S	S	*	*			trans	-67.8	112.4	177	-13.9	30.3	0	0	0	107.5	Q105	Q105-P107 WeakPolarHBondContact O-CD 3.1Å; Q105-P107 VanDerWaalsContact O-N 3.17Å
108	G	44.8	Very low	61.5	Low	61 Å²	61	116.7 Å²	116.7	63%	0.629	66%	0.662	S	S	*	*			trans	35.5	101	162.8	0	0	0	0	0	117	V106 R110	V106-G108 PolarHBondContact O-N 2.73Å; G108-R110 PolarHBondContact O-N 3.28Å
109	A	43.8	Very low	59.2	Low	99 Å²	99	124.2 Å²	124.2	82%	0.818	70%	0.7	S	S	*	*			trans	-56.1	106.9	147.1	0	0	0	0	0	107.4	T111	A109-T111 PolarHBondContact O-N 2.98Å
110	R	44.3	Very low	56.5	Low	251 Å²	251	132.3 Å²	132.3	95%	0.947	75%	0.745	S	S	*	*			trans	-68.7	115.6	170.4	-74.2	-176.4	-174.7	-171.4	1.2	107.3	G108	G108-R110 PolarHBondContact O-N 3.28Å
111	T	54.9	Low	53.7	Low	210 Å²	210	129.5 Å²	129.5	100%	1.288	76%	0.757	S	S	*	*			trans	-63.4	0	160.8	48.7	0	0	0	0	110.9	A109	A109-T111 PolarHBondContact O-N 2.98Å

Retrieved 111 of 111 residues in 620.5 ms (Link to these results)

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