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T cell receptor alpha variable 9D-4

AlphaFold DB , UniProt , Accession A0A075B685, Species MOUSE (Mus musculus, Mouse), Gene Trav9d-4, Length 102 aa.

						>A0A075B685_MOUSE|A0A075B685|Trav9d-4
MLLALLPVLGIHFVLNAQAQSVTQPDARVTVSEGASLQLRCKYSYSATPYLFWYVQYPRQGLQLLLKYYSGDPEFSKSNSSFHLQKASVHWSDSAVYFCALS
					

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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	38.7	Very low	50.7	Low	241 Å²	241	139.4 Å²	139.4	100%	1.187	78%	0.782	S	S	*	*				0	69.3	0	-77.9	-80.4	-56.8	0	0	109.7
2	L	46.1	Very low	51.5	Low	167 Å²	167	141.7 Å²	141.7	87%	0.874	78%	0.781	S	S	*	*			trans	-175	73.6	151	-153.7	66.5	0	0	0	108.6
3	L	44.1	Very low	52	Low	174 Å²	174	143.3 Å²	143.3	91%	0.911	78%	0.776	S	S	*	*			trans	-129.1	141.6	165.2	-86.7	156.5	0	0	0	105
4	A	51.1	Low	52.5	Low	81 Å²	81	142.1 Å²	142.1	67%	0.669	78%	0.776	S	S	*	*			trans	79.4	112.2	-160.1	0	0	0	0	0	110.9
5	L	50.6	Low	53.1	Low	158 Å²	158	142.5 Å²	142.5	83%	0.827	78%	0.776	S	S	*	*			cis	-145.7	103.1	42.8	-62.5	150.8	0	0	0	107.4	P7	L5-P7 VanDerWaalsContact C-CD 3.45Å; L5-P7 VanDerWaalsContact C-N 3.32Å; L5-P7 WeakPolarHBondContact O-CD 3.26Å
6	L	49.8	Very low	53.7	Low	170 Å²	170	142 Å²	142	89%	0.89	77%	0.772	S	S	*	*			trans	-77.6	98.1	145.4	-75.5	166	0	0	0	102.6	V8	L6-V8 VanDerWaalsContact C-N 3.29Å; L6-V8 PolarHBondContact O-N 3.18Å
7	P	51.9	Low	54.4	Low	98 Å²	98	138.4 Å²	138.4	64%	0.636	77%	0.765	S	S	*	*			trans	-57.5	114.4	165	26.3	-29.6	0	0	0	103	L5 L9	L5-P7 VanDerWaalsContact C-CD 3.45Å; L5-P7 VanDerWaalsContact C-N 3.32Å; L5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-L9 HydrophobicContact CB-CB 4.46Å; P7-L9 PolarHBondContact O-N 3.02Å
8	V	54.1	Low	55.2	Low	141 Å²	141	136.3 Å²	136.3	86%	0.855	75%	0.749	S	S	*	*			trans	-55.8	74.2	146.2	-176.7	0	0	0	0	103.3	L6 G10	L6-V8 VanDerWaalsContact C-N 3.29Å; L6-V8 PolarHBondContact O-N 3.18Å; V8-G10 PolarHBondContact O-N 3.23Å
9	L	55.8	Low	56.7	Low	144 Å²	144	133.4 Å²	133.4	75%	0.754	75%	0.745	S	S	*	*			trans	-67.8	81.9	166	-176.5	70.3	0	0	0	99.8	P7 I11	P7-L9 HydrophobicContact CB-CB 4.46Å; P7-L9 PolarHBondContact O-N 3.02Å; L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 3.08Å
10	G	54.1	Low	58.4	Low	35 Å²	35	130.6 Å²	130.6	36%	0.361	73%	0.726	S	S	.	*			trans	-46.9	109.3	175.7	0	0	0	0	0	102.9	V8 H12	V8-G10 PolarHBondContact O-N 3.23Å; G10-H12 PolarHBondContact O-CD2 2.84Å; G10-H12 PolarHBondContact O-N 2.9Å
11	I	60.9	Low	60.1	Low	124 Å²	124	127 Å²	127	64%	0.636	71%	0.71	S	S	*	*			trans	-65.1	92.3	171.1	-55.1	171.8	0	0	0	101.1	L9 F13	L9-I11 VanDerWaalsContact C-N 3.29Å; L9-I11 PolarHBondContact O-N 3.08Å; I11-F13 HydrophobicContact CB-CD2 3.8Å; I11-F13 HydrophobicContact CB-CE2 3.7Å; I11-F13 HydrophobicContact CB-CZ 4.48Å; I11-F13 HydrophobicContact CD1-CE2 4.11Å; I11-F13 HydrophobicContact CG2-CD1 4.16Å; I11-F13 HydrophobicContact CG2-CD2 3.34Å; I11-F13 HydrophobicContact CG2-CE1 4.07Å; I11-F13 HydrophobicContact CG2-CE2 3.24Å; I11-F13 HydrophobicContact CG2-CG 3.83Å; I11-F13 HydrophobicContact CG2-CZ 3.62Å; I11-F13 PolarHBondContact O-N 3.19Å
12	H	60.2	Low	62.8	Low	167 Å²	167	118.2 Å²	118.2	77%	0.773	67%	0.669	S	S	*	*			trans	-64.3	79.1	163.4	-68.4	-74	0	0	0	103	G10 V14	G10-H12 PolarHBondContact O-CD2 2.84Å; G10-H12 PolarHBondContact O-N 2.9Å; H12-V14 WeakPolarHBondContact O-CG2 3.16Å; H12-V14 PolarHBondContact O-N 3.44Å
13	F	58.4	Low	65.2	Low	163 Å²	163	114.1 Å²	114.1	72%	0.715	65%	0.651	S	S	*	*			trans	-62.4	73.4	151.9	-72.1	-78.1	0	0	0	104.4	I11 L15	I11-F13 HydrophobicContact CB-CD2 3.8Å; I11-F13 HydrophobicContact CB-CE2 3.7Å; I11-F13 HydrophobicContact CB-CZ 4.48Å; I11-F13 HydrophobicContact CD1-CE2 4.11Å; I11-F13 HydrophobicContact CG2-CD1 4.16Å; I11-F13 HydrophobicContact CG2-CD2 3.34Å; I11-F13 HydrophobicContact CG2-CE1 4.07Å; I11-F13 HydrophobicContact CG2-CE2 3.24Å; I11-F13 HydrophobicContact CG2-CG 3.83Å; I11-F13 HydrophobicContact CG2-CZ 3.62Å; I11-F13 PolarHBondContact O-N 3.19Å; F13-L15 PolarHBondContact O-N 3.14Å
14	V	59.8	Low	67.8	Low	127 Å²	127	109.3 Å²	109.3	77%	0.77	62%	0.624	S	S	*	*			trans	-61.4	90.1	149.8	-104.7	0	0	0	0	102.6	H12 N16	H12-V14 WeakPolarHBondContact O-CG2 3.16Å; H12-V14 PolarHBondContact O-N 3.44Å; V14-N16 PolarHBondContact O-N 2.69Å
15	L	60.8	Low	69.9	Low	148 Å²	148	108.8 Å²	108.8	78%	0.775	61%	0.614	S	S	*	*			trans	-55.1	98.9	164.5	-134.4	102.4	0	0	0	103.3	F13 A17	F13-L15 PolarHBondContact O-N 3.14Å; L15-A17 HydrophobicContact CD2-CB 4.41Å; L15-A17 PolarHBondContact O-N 3.39Å
16	N	62.5	Low	72	Confident	134 Å²	134	103.9 Å²	103.9	72%	0.717	59%	0.589	S	S	*	*			trans	-73.5	70.3	172	-171	35	0	0	0	106.3	V14 Q18	V14-N16 PolarHBondContact O-N 2.69Å; N16-Q18 PolarHBondContact O-N 2.8Å
17	A	65.4	Low	74.1	Confident	80 Å²	80	101.1 Å²	101.1	66%	0.661	59%	0.59	S	S	*	*			trans	-72.6	78.6	170.8	0	0	0	0	0	106.4	L15 A19	L15-A17 HydrophobicContact CD2-CB 4.41Å; L15-A17 PolarHBondContact O-N 3.39Å; A17-A19 PolarHBondContact O-N 3.47Å
18	Q	69.8	Low	76.2	Confident	102 Å²	102	107 Å²	107	48%	0.477	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-68.2	117	174.8	-163.3	172.6	-33	0	0	107.6	N16 Q20	N16-Q18 PolarHBondContact O-N 2.8Å; Q18-Q20 PolarHBondContact O-N 3.03Å
19	A	83.4	Confident	78.3	Confident	80 Å²	80	103.3 Å²	103.3	66%	0.661	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.8	-176.3	0	0	0	0	0	110.9	A17	A17-A19 PolarHBondContact O-N 3.47Å
20	Q	90.3	Very high	80.2	Confident	78 Å²	78	102.6 Å²	102.6	36%	0.364	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-74.1	141.9	166.8	-63.3	-171.5	18.5	0	0	109.3	Q18 S44 Y45 L101 S102	Q18-Q20 PolarHBondContact O-N 3.03Å; Q20-S44 WeakPolarHBondContact CA-O 3.26Å; Q20-Y45 HydrophobicContact CG-CD2 3.48Å; Q20-Y45 VanDerWaalsContact CG-CD2 3.48Å; Q20-Y45 HydrophobicContact CG-CE2 3.56Å; Q20-Y45 HydrophobicContact CG-CG 4.06Å; Q20-Y45 VanDerWaalsContact NE2-CE2 3.31Å; Q20-Y45 PolarHBondContact NE2-OH 2.92Å; Q20-Y45 VanDerWaalsContact NE2-OH 3.12Å; Q20-L101 HydrophobicContact CB-CD2 3.79Å; Q20-L101 HydrophobicContact CG-CD2 4.29Å; Q20-S102 PolarHBondContact NE2-OXT 2.85Å; Q20-S102 PolarHBondContact OE1-OXT 2.85Å
21	S	94.7	Very high	82.2	Confident	56 Å²	56	103.2 Å²	103.2	39%	0.392	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.3	152.5	172.7	61.4	0	0	0	0	112.5	Y43 S44	S21-Y43 CarbonylContact O-C 3.47Å; S21-Y43 WeakPolarHBondContact O-CA 3.36Å; S21-S44 PolarHBondContact N-O 2.87Å; S21-S44 VanDerWaalsContact N-O 3.07Å; S21-S44 PolarHBondContact O-N 2.86Å; S21-S44 VanDerWaalsContact OG-CB 3.28Å; S21-S44 WeakPolarHBondContact OG-CB 3.49Å
22	V	95.8	Very high	84	Confident	56 Å²	56	101.6 Å²	101.6	34%	0.339	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.5	147	171.3	72.5	0	0	0	0	108.8	C41 K42 C99	V22-C41 WeakPolarHBondContact CG2-SG 3.46Å; V22-K42 CarbonylContact C-O 3.53Å; V22-K42 VanDerWaalsContact CA-O 3.31Å; V22-K42 WeakPolarHBondContact CA-O 3.44Å; V22-K42 WeakPolarHBondContact CG2-O 3.48Å; V22-C99 HydrophobicContact CG2-CB 3.96Å
23	T	96.6	Very high	85.8	Confident	81 Å²	81	98.3 Å²	98.3	50%	0.497	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.9	126	-179.6	-55	0	0	0	0	110.6	C41 K42	T23-C41 WeakPolarHBondContact O-CA 3.17Å; T23-K42 PolarHBondContact N-O 3.43Å; T23-K42 PolarHBondContact O-N 2.84Å
24	Q	97.9	Very high	87.6	Confident	72 Å²	72	92.6 Å²	92.6	34%	0.336	55%	0.548	S	S	.	.			trans	-109.5	108	170.7	-69.1	176.3	-116.2	0	0	107.8	D26 W53 Y97 C99	Q24-D26 VanDerWaalsContact C-N 3.28Å; Q24-D26 PolarHBondContact O-N 3.01Å; Q24-W53 HydrophobicContact CG-CH2 4.44Å; Q24-Y97 PolarHBondContact NE2-O 2.74Å; Q24-C99 HydrophobicContact CG-CB 4.08Å
25	P	95.6	Very high	89.5	Confident	71 Å²	71	88.4 Å²	88.4	46%	0.461	53%	0.527	S	S	.	.	S	Bend	trans	-71.5	-24.1	-175.2	28.8	-34.8	0	0	0	112.9	R40	P25-R40 WeakPolarHBondContact CD-O 3.36Å; P25-R40 HydrophobicContact CG-CB 3.69Å
26	D	94.8	Very high	91.2	Very high	55 Å²	55	85.7 Å²	85.7	29%	0.294	52%	0.52	S	S	.	.			trans	-98.3	103.3	-177.2	-56.1	-61	0	0	0	110.2	Q24 R28 V29 R40	Q24-D26 VanDerWaalsContact C-N 3.28Å; Q24-D26 PolarHBondContact O-N 3.01Å; D26-R28 VanDerWaalsContact C-N 3.29Å; D26-R28 PolarHBondContact O-N 2.82Å; D26-V29 HydrophobicContact CB-CG2 3.59Å; D26-R40 IonicContact OD1-CZ 3.71Å; D26-R40 IonicContact OD1-NE 3.97Å; D26-R40 IonicContact OD1-NH2 2.67Å; D26-R40 PolarHBondContact OD1-NH2 3.14Å; D26-R40 IonicContact OD2-CZ 3.28Å; D26-R40 VanDerWaalsContact OD2-CZ 3.28Å; D26-R40 IonicContact OD2-NE 2.77Å; D26-R40 PolarHBondContact OD2-NE 3.48Å; D26-R40 IonicContact OD2-NH2 2.97Å; D26-R40 PolarHBondContact OD2-NH2 2.73Å
27	A	94	Very high	92.9	Very high	112 Å²	112	81 Å²	81	93%	0.926	50%	0.495	S	S	*	.	S	Bend	trans	-69.1	-29.6	176.9	0	0	0	0	0	112.6
28	R	96.3	Very high	94.4	Very high	221 Å²	221	81.1 Å²	81.1	83%	0.834	48%	0.482	S	S	*	.			trans	-148	134	177.4	-171.1	176.6	-153.6	145	6.5	109.4	D26	D26-R28 VanDerWaalsContact C-N 3.29Å; D26-R28 PolarHBondContact O-N 2.82Å
29	V	96.5	Very high	95.7	Very high	63 Å²	63	77.3 Å²	77.3	38%	0.382	46%	0.464	S	S	.	.			trans	-124	132.6	173.9	-172.6	0	0	0	0	109	D26 L37 L39	D26-V29 HydrophobicContact CB-CG2 3.59Å; V29-L37 HydrophobicContact CB-CD1 4.34Å; V29-L37 HydrophobicContact CG1-CD1 3.45Å; V29-L37 VanDerWaalsContact CG1-CD1 3.45Å; V29-L39 HydrophobicContact CB-CD2 4.3Å; V29-L39 HydrophobicContact CG2-CD2 3.9Å
30	T	96.6	Very high	96.3	Very high	129 Å²	129	78.6 Å²	78.6	79%	0.791	45%	0.452	S	S	*	.			trans	-119.9	131.7	173.3	-53	0	0	0	0	107.6
31	V	96.5	Very high	96.6	Very high	48 Å²	48	74.9 Å²	74.9	29%	0.291	44%	0.435	S	S	.	.			trans	-143.1	148.7	-176.1	64.1	0	0	0	0	109.2	A35 L37 V89	V31-A35 HydrophobicContact CG2-CB 3.74Å; V31-L37 HydrophobicContact CG1-CD2 4.3Å; V31-V89 HydrophobicContact CG1-CB 4.11Å; V31-V89 HydrophobicContact CG1-CG1 3.86Å; V31-V89 HydrophobicContact CG1-CG2 4.13Å
32	S	97.6	Very high	96.6	Very high	90 Å²	90	78.6 Å²	78.6	63%	0.629	44%	0.444	S	S	*	.			trans	-73.4	147.3	176	-58.7	0	0	0	0	111.1	G34 A35	S32-G34 PolarHBondContact O-N 2.63Å; S32-A35 WeakPolarHBondContact O-CB 3.4Å; S32-A35 PolarHBondContact O-N 2.83Å; S32-A35 VanDerWaalsContact O-N 3.14Å
33	E	97.7	Very high	96.5	Very high	98 Å²	98	76.5 Å²	76.5	46%	0.458	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	139	171.5	-177.6	168.7	-138.7	0	0	111	A35 V89 H90 W91	E33-A35 PolarHBondContact O-N 2.96Å; E33-V89 WeakPolarHBondContact CA-O 3.35Å; E33-H90 IonicContact OE1-ND1 3.39Å; E33-H90 PolarHBondContact OE1-ND1 3.36Å; E33-W91 HydrophobicContact CB-CZ2 4.29Å; E33-W91 PolarHBondContact OE1-NE1 3.42Å; E33-W91 PolarHBondContact OE2-NE1 2.77Å
34	G	98.1	Very high	96.2	Very high	44 Å²	44	75.3 Å²	75.3	45%	0.454	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-12.7	-177.2	0	0	0	0	0	114.9	S32 V89	S32-G34 PolarHBondContact O-N 2.63Å; G34-V89 PolarHBondContact N-O 3.48Å
35	A	98.2	Very high	95.8	Very high	39 Å²	39	74.8 Å²	74.8	32%	0.322	42%	0.42	S	S	.	.			trans	-80.5	159.5	176.8	0	0	0	0	0	112	V31 S32 E33 V89	V31-A35 HydrophobicContact CG2-CB 3.74Å; S32-A35 WeakPolarHBondContact O-CB 3.4Å; S32-A35 PolarHBondContact O-N 2.83Å; S32-A35 VanDerWaalsContact O-N 3.14Å; E33-A35 PolarHBondContact O-N 2.96Å; A35-V89 WeakPolarHBondContact O-CG2 3.48Å; A35-V89 PolarHBondContact O-N 2.91Å
36	S	98	Very high	95.2	Very high	91 Å²	91	75 Å²	75	64%	0.636	42%	0.423	S	S	*	.			trans	-81.3	148.3	174.3	61.4	0	0	0	0	111.5	K86 A87	S36-K86 CarbonylContact C-O 3.59Å; S36-K86 VanDerWaalsContact CA-O 3.31Å; S36-K86 WeakPolarHBondContact CA-O 3.45Å; S36-A87 VanDerWaalsContact CA-O 3.31Å; S36-A87 WeakPolarHBondContact CA-O 2.99Å; S36-A87 WeakPolarHBondContact CB-O 3.38Å; S36-A87 PolarHBondContact N-O 3.32Å
37	L	97	Very high	94.7	Very high	35 Å²	35	74.3 Å²	74.3	18%	0.183	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.2	-178.8	172.7	65.5	0	0	0	110.2	V29 V31 L39 Q85 K86 V89	V29-L37 HydrophobicContact CB-CD1 4.34Å; V29-L37 HydrophobicContact CG1-CD1 3.45Å; V29-L37 VanDerWaalsContact CG1-CD1 3.45Å; V31-L37 HydrophobicContact CG1-CD2 4.3Å; L37-L39 HydrophobicContact CD1-CD2 4.06Å; L37-L39 HydrophobicContact CD2-CD2 4.12Å; L37-L39 HydrophobicContact CD2-CG 4.33Å; L37-L39 HydrophobicContact CG-CD2 4.22Å; L37-L39 HydrophobicContact CG-CG 4.42Å; L37-Q85 CarbonylContact O-C 3.6Å; L37-Q85 WeakPolarHBondContact O-CA 3.43Å; L37-K86 PolarHBondContact N-O 3.12Å; L37-K86 PolarHBondContact O-N 2.87Å; L37-V89 HydrophobicContact CB-CG2 3.45Å; L37-V89 VanDerWaalsContact CB-CG2 3.45Å; L37-V89 HydrophobicContact CD2-CG2 4.03Å; L37-V89 HydrophobicContact CG-CG2 4.39Å
38	Q	96.9	Very high	94.3	Very high	82 Å²	82	72.7 Å²	72.7	38%	0.383	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.9	167.7	-176.8	179	-89.9	0	0	109.9	H83 L84 Q85	Q38-H83 HydrophobicContact CG-CB 3.94Å; Q38-L84 CarbonylContact C-O 3.53Å; Q38-L84 WeakPolarHBondContact CA-O 3.07Å; Q38-Q85 HydrophobicContact CB-CG 4.24Å; Q38-Q85 HydrophobicContact CG-CG 3.91Å
39	L	97.6	Very high	93.9	Very high	22 Å²	22	62.4 Å²	62.4	12%	0.115	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123	168.7	-58.8	-176.8	0	0	0	109.5	V29 L37 W53 H83 L84 Y97	V29-L39 HydrophobicContact CB-CD2 4.3Å; V29-L39 HydrophobicContact CG2-CD2 3.9Å; L37-L39 HydrophobicContact CD1-CD2 4.06Å; L37-L39 HydrophobicContact CD2-CD2 4.12Å; L37-L39 HydrophobicContact CD2-CG 4.33Å; L37-L39 HydrophobicContact CG-CD2 4.22Å; L37-L39 HydrophobicContact CG-CG 4.42Å; L39-W53 HydrophobicContact CB-CH2 3.82Å; L39-W53 HydrophobicContact CB-CZ2 4.28Å; L39-W53 HydrophobicContact CB-CZ3 4.41Å; L39-W53 HydrophobicContact CD1-CZ3 4.46Å; L39-H83 WeakPolarHBondContact O-CA 3.46Å; L39-L84 HydrophobicContact CB-CB 4.3Å; L39-L84 HydrophobicContact CD1-CD2 4.28Å; L39-L84 PolarHBondContact N-O 3.49Å; L39-L84 PolarHBondContact O-N 2.88Å; L39-Y97 HydrophobicContact CD1-CD1 4.01Å; L39-Y97 HydrophobicContact CD1-CD2 3.74Å; L39-Y97 HydrophobicContact CD1-CE2 4.44Å; L39-Y97 HydrophobicContact CD1-CG 3.49Å; L39-Y97 VanDerWaalsContact CD1-CG 3.49Å
40	R	96.4	Very high	93.7	Very high	108 Å²	108	63.9 Å²	63.9	41%	0.408	37%	0.366	S	S	.	.			trans	-86.8	130.2	-175.7	-65.4	-179.6	-65.6	171	0	110.1	P25 D26	P25-R40 WeakPolarHBondContact CD-O 3.36Å; P25-R40 HydrophobicContact CG-CB 3.69Å; D26-R40 IonicContact OD1-CZ 3.71Å; D26-R40 IonicContact OD1-NE 3.97Å; D26-R40 IonicContact OD1-NH2 2.67Å; D26-R40 PolarHBondContact OD1-NH2 3.14Å; D26-R40 IonicContact OD2-CZ 3.28Å; D26-R40 VanDerWaalsContact OD2-CZ 3.28Å; D26-R40 IonicContact OD2-NE 2.77Å; D26-R40 PolarHBondContact OD2-NE 3.48Å; D26-R40 IonicContact OD2-NH2 2.97Å; D26-R40 PolarHBondContact OD2-NH2 2.73Å
41	C	95.7	Very high	93.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.328	C	S	.	.			trans	-135.1	129.4	168.4	173.2	0	0	0	0	109.3	V22 T23 W53 S81 F82 H83 C99	V22-C41 WeakPolarHBondContact CG2-SG 3.46Å; T23-C41 WeakPolarHBondContact O-CA 3.17Å; C41-W53 HydrophobicContact CB-CH2 3.97Å; C41-W53 HydrophobicContact CB-CZ2 3.41Å; C41-W53 VanDerWaalsContact CB-CZ2 3.41Å; C41-S81 CarbonylContact O-C 3.58Å; C41-S81 WeakPolarHBondContact O-CA 3.4Å; C41-F82 WeakPolarHBondContact CB-O 3.41Å; C41-F82 PolarHBondContact O-N 2.84Å; C41-H83 PolarHBondContact N-ND1 2.97Å; C41-H83 PolarHBondContact O-CE1 3.18Å; C41-H83 VanDerWaalsContact O-CE1 3.26Å; C41-H83 PolarHBondContact O-ND1 2.82Å; C41-H83 VanDerWaalsContact O-ND1 3.08Å; C41-C99 HydrophobicContact CB-CB 3.49Å; C41-C99 VanDerWaalsContact CB-CB 3.49Å; C41-C99 WeakPolarHBondContact CB-SG 3.38Å; C41-C99 WeakPolarHBondContact SG-CB 3.41Å; C41-C99 CovalentContact SG-SG 2.02Å; C41-C99 PolarHBondContact SG-SG 3.33Å
42	K	94.9	Very high	93.5	Very high	133 Å²	133	57 Å²	57	58%	0.578	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.3	170.1	-66.7	-173.9	176.8	-175.2	0	108.8	V22 T23 S80	V22-K42 CarbonylContact C-O 3.53Å; V22-K42 VanDerWaalsContact CA-O 3.31Å; V22-K42 WeakPolarHBondContact CA-O 3.44Å; V22-K42 WeakPolarHBondContact CG2-O 3.48Å; T23-K42 PolarHBondContact N-O 3.43Å; T23-K42 PolarHBondContact O-N 2.84Å; K42-S80 WeakPolarHBondContact CA-O 3.31Å
43	Y	92.9	Very high	93.5	Very high	12 Å²	12	52.7 Å²	52.7	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.4	176.4	68.4	-91.9	0	0	0	110.6	S21 P49 L51 S80 F82 L101	S21-Y43 CarbonylContact O-C 3.47Å; S21-Y43 WeakPolarHBondContact O-CA 3.36Å; Y43-P49 HydrophobicContact CD2-CB 4.35Å; Y43-P49 HydrophobicContact CE2-CB 3.91Å; Y43-P49 HydrophobicContact CE2-CG 3.8Å; Y43-L51 HydrophobicContact CD1-CD1 4.01Å; Y43-L51 HydrophobicContact CD1-CD2 3.53Å; Y43-L51 HydrophobicContact CD1-CG 4.42Å; Y43-L51 HydrophobicContact CD2-CD2 4.3Å; Y43-L51 HydrophobicContact CE1-CD1 3.51Å; Y43-L51 HydrophobicContact CE1-CD2 3.93Å; Y43-L51 HydrophobicContact CE1-CG 4.36Å; Y43-L51 HydrophobicContact CG-CD2 3.73Å; Y43-S80 WeakPolarHBondContact CD1-O 3.42Å; Y43-S80 PolarHBondContact N-O 3.5Å; Y43-S80 VanDerWaalsContact O-CB 3.31Å; Y43-S80 WeakPolarHBondContact O-CB 3.31Å; Y43-F82 HydrophobicContact CD1-CB 4.48Å; Y43-L101 HydrophobicContact CD2-CD1 4.3Å
44	S	91.6	Very high	93.6	Very high	57 Å²	57	51.2 Å²	51.2	40%	0.399	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.6	169.9	-167.7	0	0	0	0	108.4	Q20 S21	Q20-S44 WeakPolarHBondContact CA-O 3.26Å; S21-S44 PolarHBondContact N-O 2.87Å; S21-S44 VanDerWaalsContact N-O 3.07Å; S21-S44 PolarHBondContact O-N 2.86Å; S21-S44 VanDerWaalsContact OG-CB 3.28Å; S21-S44 WeakPolarHBondContact OG-CB 3.49Å
45	Y	88.5	Confident	93.6	Very high	60 Å²	60	49.2 Å²	49.2	24%	0.235	26%	0.261	C	S	.	.			trans	-152.8	129.8	173.9	-168.2	-156.3	0	0	0	110.3	Q20 A47 T48 P49 L101	Q20-Y45 HydrophobicContact CG-CD2 3.48Å; Q20-Y45 VanDerWaalsContact CG-CD2 3.48Å; Q20-Y45 HydrophobicContact CG-CE2 3.56Å; Q20-Y45 HydrophobicContact CG-CG 4.06Å; Q20-Y45 VanDerWaalsContact NE2-CE2 3.31Å; Q20-Y45 PolarHBondContact NE2-OH 2.92Å; Q20-Y45 VanDerWaalsContact NE2-OH 3.12Å; Y45-A47 VanDerWaalsContact C-N 3.34Å; Y45-A47 HydrophobicContact CD1-CB 4.4Å; Y45-A47 HydrophobicContact CD2-CB 4.38Å; Y45-A47 HydrophobicContact CE1-CB 3.93Å; Y45-A47 HydrophobicContact CE2-CB 3.88Å; Y45-T48 WeakPolarHBondContact CE1-O 2.99Å; Y45-P49 HydrophobicContact CD1-CB 4.03Å; Y45-L101 HydrophobicContact CD1-CD1 4.11Å; Y45-L101 HydrophobicContact CG-CD2 4.38Å
46	S	83.5	Confident	93.6	Very high	75 Å²	75	51 Å²	51	52%	0.524	26%	0.262	S	S	.	.	S	Bend	trans	-74.6	-25.5	-179	50.8	0	0	0	0	112.9
47	A	84.4	Confident	93.6	Very high	42 Å²	42	49 Å²	49	35%	0.347	24%	0.241	S	C	.	.	S	Bend	trans	-95.8	-149.8	-178.6	0	0	0	0	0	111.8	Y45 P49 K77	Y45-A47 VanDerWaalsContact C-N 3.34Å; Y45-A47 HydrophobicContact CD1-CB 4.4Å; Y45-A47 HydrophobicContact CD2-CB 4.38Å; Y45-A47 HydrophobicContact CE1-CB 3.93Å; Y45-A47 HydrophobicContact CE2-CB 3.88Å; A47-P49 WeakPolarHBondContact O-CD 3.35Å; A47-K77 PolarHBondContact O-NZ 3.27Å
48	T	85.5	Confident	93.6	Very high	78 Å²	78	51.5 Å²	51.5	48%	0.479	26%	0.259	S	S	.	.			trans	-91.6	109.6	-176.4	-63.1	0	0	0	0	109.2	Y45 S70	Y45-T48 WeakPolarHBondContact CE1-O 2.99Å; T48-S70 WeakPolarHBondContact CG2-OG 3.38Å
49	P	88.3	Confident	93.7	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.032	29%	0.287	C	S	.	.			trans	-83.2	140	-172.5	33.3	-35.4	0	0	0	112.7	Y43 Y45 A47 L51 L101	Y43-P49 HydrophobicContact CD2-CB 4.35Å; Y43-P49 HydrophobicContact CE2-CB 3.91Å; Y43-P49 HydrophobicContact CE2-CG 3.8Å; Y45-P49 HydrophobicContact CD1-CB 4.03Å; A47-P49 WeakPolarHBondContact O-CD 3.35Å; P49-L51 HydrophobicContact CB-CD1 4.41Å; P49-L51 HydrophobicContact CB-CD2 4.45Å; P49-L51 HydrophobicContact CB-CG 4.18Å; P49-L51 HydrophobicContact CG-CD1 4.41Å; P49-L101 HydrophobicContact CB-CD1 3.44Å; P49-L101 VanDerWaalsContact CB-CD1 3.44Å
50	Y	91.4	Very high	93.6	Very high	93 Å²	93	63.2 Å²	63.2	37%	0.365	30%	0.303	S	S	.	.			trans	-101	124.5	158.3	-60.8	-71.2	0	0	0	108.9	Y69 L101 S102	Y50-Y69 AromaticContact CD1-CD1 3.37Å; Y50-Y69 HydrophobicContact CD1-CD1 3.37Å; Y50-Y69 HydrophobicContact CD1-CE1 4.19Å; Y50-Y69 HydrophobicContact CD1-CG 4.12Å; Y50-Y69 AromaticContact CE1-CD1 3.53Å; Y50-Y69 HydrophobicContact CE1-CD1 3.53Å; Y50-Y69 HydrophobicContact CE1-CG 4.27Å; Y50-L101 CarbonylContact O-C 3.59Å; Y50-L101 WeakPolarHBondContact O-CA 2.99Å; Y50-S102 PolarHBondContact N-O 2.64Å; Y50-S102 PolarHBondContact O-N 2.85Å
51	L	93.8	Very high	93.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.5	-172.4	-62.1	157.2	0	0	0	110.3	Y43 P49 K67 Y68 F75 F82 A100 L101	Y43-L51 HydrophobicContact CD1-CD1 4.01Å; Y43-L51 HydrophobicContact CD1-CD2 3.53Å; Y43-L51 HydrophobicContact CD1-CG 4.42Å; Y43-L51 HydrophobicContact CD2-CD2 4.3Å; Y43-L51 HydrophobicContact CE1-CD1 3.51Å; Y43-L51 HydrophobicContact CE1-CD2 3.93Å; Y43-L51 HydrophobicContact CE1-CG 4.36Å; Y43-L51 HydrophobicContact CG-CD2 3.73Å; P49-L51 HydrophobicContact CB-CD1 4.41Å; P49-L51 HydrophobicContact CB-CD2 4.45Å; P49-L51 HydrophobicContact CB-CG 4.18Å; P49-L51 HydrophobicContact CG-CD1 4.41Å; L51-K67 CarbonylContact O-C 3.48Å; L51-K67 WeakPolarHBondContact O-CA 3.31Å; L51-Y68 HydrophobicContact CB-CD1 4.42Å; L51-Y68 HydrophobicContact CD1-CD1 3.91Å; L51-Y68 HydrophobicContact CD1-CE1 4.48Å; L51-Y68 HydrophobicContact CG-CD1 4.42Å; L51-Y68 PolarHBondContact N-O 2.9Å; L51-Y68 VanDerWaalsContact N-O 3.1Å; L51-Y68 PolarHBondContact O-N 2.79Å; L51-F75 HydrophobicContact CD1-CE1 4.01Å; L51-F75 HydrophobicContact CD1-CZ 4.12Å; L51-F82 HydrophobicContact CB-CB 4.43Å; L51-F82 HydrophobicContact CB-CD1 3.57Å; L51-F82 HydrophobicContact CB-CD2 4.16Å; L51-F82 HydrophobicContact CB-CE1 3.7Å; L51-F82 HydrophobicContact CB-CE2 4.31Å; L51-F82 HydrophobicContact CB-CG 3.8Å; L51-F82 HydrophobicContact CB-CZ 4.08Å; L51-F82 HydrophobicContact CD1-CB 4.01Å; L51-F82 HydrophobicContact CD1-CD2 4.07Å; L51-F82 HydrophobicContact CD1-CG 4Å; L51-F82 HydrophobicContact CD2-CB 4.35Å; L51-F82 HydrophobicContact CG-CB 4.5Å; L51-F82 HydrophobicContact CG-CD1 4.49Å; L51-F82 HydrophobicContact CG-CG 4.35Å; L51-A100 WeakPolarHBondContact CA-O 3.35Å; L51-L101 HydrophobicContact CD2-CB 4.31Å; L51-L101 HydrophobicContact CD2-CD1 3.78Å; L51-L101 HydrophobicContact CG-CD1 4.49Å
52	F	96.1	Very high	93.8	Very high	32 Å²	32	65.2 Å²	65.2	14%	0.14	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.1	-175.5	-49.7	-90.8	0	0	0	110.6	Y54 L64 L66 K67 C99 A100	F52-Y54 HydrophobicContact CB-CD2 4.12Å; F52-Y54 HydrophobicContact CB-CE2 3.53Å; F52-Y54 HydrophobicContact CG-CE2 4.2Å; F52-L64 HydrophobicContact CB-CD1 4.15Å; F52-L64 HydrophobicContact CD1-CD1 3.92Å; F52-L66 CarbonylContact C-O 3.54Å; F52-L66 WeakPolarHBondContact CA-O 3.35Å; F52-K67 HydrophobicContact CD1-CB 3.81Å; F52-K67 HydrophobicContact CE1-CB 4.1Å; F52-C99 CarbonylContact O-C 3.57Å; F52-C99 WeakPolarHBondContact O-CA 3.44Å; F52-A100 HydrophobicContact CB-CB 4.34Å; F52-A100 PolarHBondContact N-O 3.49Å; F52-A100 PolarHBondContact O-N 2.72Å
53	W	97.8	Very high	94	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.1	158	-80.3	98.6	0	0	0	109.1	Q24 L39 C41 L65 L66 F82 L84 F98 C99	Q24-W53 HydrophobicContact CG-CH2 4.44Å; L39-W53 HydrophobicContact CB-CH2 3.82Å; L39-W53 HydrophobicContact CB-CZ2 4.28Å; L39-W53 HydrophobicContact CB-CZ3 4.41Å; L39-W53 HydrophobicContact CD1-CZ3 4.46Å; C41-W53 HydrophobicContact CB-CH2 3.97Å; C41-W53 HydrophobicContact CB-CZ2 3.41Å; C41-W53 VanDerWaalsContact CB-CZ2 3.41Å; W53-L65 HydrophobicContact CB-CB 4.41Å; W53-L65 WeakPolarHBondContact O-CB 3.46Å; W53-L65 PolarHBondContact O-N 2.77Å; W53-L66 HydrophobicContact CB-CB 4.14Å; W53-L66 PolarHBondContact N-O 2.97Å; W53-L66 PolarHBondContact O-N 2.67Å; W53-F82 AromaticContact CD1-CD1 3.48Å; W53-F82 VanDerWaalsContact CD1-CD1 3.48Å; W53-F82 AromaticContact CD1-CE1 3.29Å; W53-F82 HydrophobicContact CG-CE1 4.29Å; W53-F82 AromaticContact NE1-CD1 3.45Å; W53-F82 AromaticContact NE1-CE1 3.79Å; W53-F82 PolarHBondContact NE1-O 2.87Å; W53-L84 HydrophobicContact CD2-CB 3.93Å; W53-L84 HydrophobicContact CD2-CD2 4.18Å; W53-L84 HydrophobicContact CE3-CD2 4.34Å; W53-L84 HydrophobicContact CG-CB 4.16Å; W53-L84 HydrophobicContact CG-CD2 4.28Å; W53-L84 HydrophobicContact CZ2-CB 3.92Å; W53-F98 CarbonylContact C-O 3.57Å; W53-F98 WeakPolarHBondContact CA-O 3.15Å; W53-F98 VanDerWaalsContact CE3-C 3.49Å; W53-C99 HydrophobicContact CD2-CB 4.2Å; W53-C99 HydrophobicContact CE3-CB 4.1Å; W53-C99 HydrophobicContact CH2-CB 3.81Å; W53-C99 HydrophobicContact CZ2-CB 3.89Å; W53-C99 HydrophobicContact CZ3-CB 3.89Å
54	Y	98.4	Very high	94.2	Very high	67 Å²	67	66.2 Å²	66.2	26%	0.263	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.9	168.5	-63.8	-92.3	0	0	0	110	F52 L62 Q63 L64 Y97 F98 A100	F52-Y54 HydrophobicContact CB-CD2 4.12Å; F52-Y54 HydrophobicContact CB-CE2 3.53Å; F52-Y54 HydrophobicContact CG-CE2 4.2Å; Y54-L62 HydrophobicContact CD1-CD2 3.93Å; Y54-L62 HydrophobicContact CD1-CG 3.88Å; Y54-L62 HydrophobicContact CG-CD1 4.37Å; Y54-L62 HydrophobicContact CG-CD2 4.01Å; Y54-L62 HydrophobicContact CG-CG 4.05Å; Y54-Q63 CarbonylContact C-O 3.5Å; Y54-Q63 WeakPolarHBondContact CA-O 3.46Å; Y54-Q63 WeakPolarHBondContact CB-O 3.29Å; Y54-L64 HydrophobicContact CD1-CB 4.22Å; Y54-L64 HydrophobicContact CD1-CD1 4.21Å; Y54-L64 HydrophobicContact CE1-CB 4.01Å; Y54-L64 HydrophobicContact CE1-CD1 3.8Å; Y54-L64 HydrophobicContact CE2-CD1 4.42Å; Y54-Y97 CarbonylContact O-C 3.6Å; Y54-Y97 WeakPolarHBondContact O-CA 2.84Å; Y54-F98 PolarHBondContact N-O 2.83Å; Y54-F98 PolarHBondContact O-N 2.8Å; Y54-A100 HydrophobicContact CD2-CB 4.39Å; Y54-A100 HydrophobicContact CE2-CB 4.1Å
55	V	98.5	Very high	94.5	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139	173.3	64	0	0	0	0	109.3	Y57 Q63 L65 A95 V96 Y97	V55-Y57 HydrophobicContact CG1-CD2 4.45Å; V55-Y57 HydrophobicContact CG1-CE2 3.82Å; V55-Y57 HydrophobicContact CG2-CD2 4.31Å; V55-Y57 HydrophobicContact CG2-CE1 4.15Å; V55-Y57 HydrophobicContact CG2-CE2 3.87Å; V55-Q63 HydrophobicContact CG1-CB 4.02Å; V55-Q63 PolarHBondContact N-O 3.42Å; V55-Q63 PolarHBondContact O-N 2.81Å; V55-L65 HydrophobicContact CB-CB 4.44Å; V55-L65 HydrophobicContact CB-CD2 4.44Å; V55-L65 HydrophobicContact CG1-CB 4.15Å; V55-L65 HydrophobicContact CG1-CD1 4.48Å; V55-A95 HydrophobicContact CG2-CB 3.49Å; V55-A95 VanDerWaalsContact CG2-CB 3.49Å; V55-V96 CarbonylContact C-O 3.56Å; V55-V96 WeakPolarHBondContact CA-O 3.31Å; V55-Y97 HydrophobicContact CB-CD1 4.09Å; V55-Y97 HydrophobicContact CB-CE1 3.98Å; V55-Y97 HydrophobicContact CG2-CD1 4.01Å; V55-Y97 HydrophobicContact CG2-CE1 3.61Å; V55-Y97 HydrophobicContact CG2-CE2 4.33Å
56	Q	98.6	Very high	94.7	Very high	75 Å²	75	68.1 Å²	68.1	35%	0.35	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	103.7	174.2	-171.9	178.8	23.4	0	0	109.5	L62 A95 V96 F98	Q56-L62 HydrophobicContact CB-CD1 4.04Å; Q56-A95 WeakPolarHBondContact O-CB 3.37Å; Q56-V96 HydrophobicContact CB-CB 4.43Å; Q56-V96 PolarHBondContact N-O 2.96Å; Q56-V96 PolarHBondContact O-N 2.81Å; Q56-F98 HydrophobicContact CB-CE2 4.07Å
57	Y	98.1	Very high	95.2	Very high	51 Å²	51	69.5 Å²	69.5	20%	0.2	35%	0.348	C	S	.	.			trans	-74.8	156.9	173.8	-66.3	-72.1	0	0	0	111.5	V55 R59 Q60 S92 A95	V55-Y57 HydrophobicContact CG1-CD2 4.45Å; V55-Y57 HydrophobicContact CG1-CE2 3.82Å; V55-Y57 HydrophobicContact CG2-CD2 4.31Å; V55-Y57 HydrophobicContact CG2-CE1 4.15Å; V55-Y57 HydrophobicContact CG2-CE2 3.87Å; Y57-R59 PolarHBondContact O-N 2.99Å; Y57-Q60 PolarHBondContact O-N 2.81Å; Y57-S92 WeakPolarHBondContact CE1-O 3.41Å; Y57-A95 HydrophobicContact CD1-CB 3.62Å; Y57-A95 HydrophobicContact CE1-CB 3.79Å; Y57-A95 HydrophobicContact CG-CB 4.3Å
58	P	97.5	Very high	95.4	Very high	87 Å²	87	68.6 Å²	68.6	57%	0.565	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	127.4	176.7	-27.2	34.9	0	0	0	112.2	Q60	P58-Q60 PolarHBondContact O-N 2.81Å
59	R	97.3	Very high	95.4	Very high	253 Å²	253	70 Å²	70	96%	0.955	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	16.2	-179.8	-53.2	-178.2	-68.6	-99	-0.6	115.1	Y57	Y57-R59 PolarHBondContact O-N 2.99Å
60	Q	97.4	Very high	94.7	Very high	96 Å²	96	71.7 Å²	71.7	45%	0.449	35%	0.345	S	S	.	.	S	Bend	trans	-110.5	161.1	174.5	-61.2	-175	44.9	0	0	110.8	Y57 P58	Y57-Q60 PolarHBondContact O-N 2.81Å; P58-Q60 PolarHBondContact O-N 2.81Å
61	G	97.5	Very high	93.7	Very high	52 Å²	52	70.7 Å²	70.7	54%	0.536	36%	0.363	S	S	.	.			trans	-69.7	168	170.8	0	0	0	0	0	112.2	Q63	G61-Q63 PolarHBondContact O-N 3.17Å
62	L	98	Very high	92.5	Very high	98 Å²	98	74 Å²	74	51%	0.513	38%	0.381	S	S	.	.			trans	-66.9	128.1	172.8	-167.3	69.3	0	0	0	109.8	Y54 Q56 F98	Y54-L62 HydrophobicContact CD1-CD2 3.93Å; Y54-L62 HydrophobicContact CD1-CG 3.88Å; Y54-L62 HydrophobicContact CG-CD1 4.37Å; Y54-L62 HydrophobicContact CG-CD2 4.01Å; Y54-L62 HydrophobicContact CG-CG 4.05Å; Q56-L62 HydrophobicContact CB-CD1 4.04Å; L62-F98 HydrophobicContact CD1-CD2 3.57Å; L62-F98 HydrophobicContact CD1-CE2 3.85Å
63	Q	98.4	Very high	91	Very high	80 Å²	80	78.6 Å²	78.6	37%	0.374	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.4	-178.6	-66.6	172.2	1.8	0	0	110.2	Y54 V55 G61 L65	Y54-Q63 CarbonylContact C-O 3.5Å; Y54-Q63 WeakPolarHBondContact CA-O 3.46Å; Y54-Q63 WeakPolarHBondContact CB-O 3.29Å; V55-Q63 HydrophobicContact CG1-CB 4.02Å; V55-Q63 PolarHBondContact N-O 3.42Å; V55-Q63 PolarHBondContact O-N 2.81Å; G61-Q63 PolarHBondContact O-N 3.17Å; Q63-L65 PolarHBondContact O-N 2.96Å
64	L	97.9	Very high	89.4	Confident	87 Å²	87	87.1 Å²	87.1	46%	0.455	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.3	172.5	-179.6	64.7	0	0	0	109.2	F52 Y54 K67	F52-L64 HydrophobicContact CB-CD1 4.15Å; F52-L64 HydrophobicContact CD1-CD1 3.92Å; Y54-L64 HydrophobicContact CD1-CB 4.22Å; Y54-L64 HydrophobicContact CD1-CD1 4.21Å; Y54-L64 HydrophobicContact CE1-CB 4.01Å; Y54-L64 HydrophobicContact CE1-CD1 3.8Å; Y54-L64 HydrophobicContact CE2-CD1 4.42Å; L64-K67 HydrophobicContact CD1-CB 4.45Å; L64-K67 HydrophobicContact CD2-CB 4.44Å; L64-K67 HydrophobicContact CD2-CD 4.06Å
65	L	97	Very high	87.8	Confident	80 Å²	80	86.4 Å²	86.4	42%	0.419	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-50.2	-178.5	178.6	65.6	0	0	0	112	W53 V55 Q63 L84 Y97	W53-L65 HydrophobicContact CB-CB 4.41Å; W53-L65 WeakPolarHBondContact O-CB 3.46Å; W53-L65 PolarHBondContact O-N 2.77Å; V55-L65 HydrophobicContact CB-CB 4.44Å; V55-L65 HydrophobicContact CB-CD2 4.44Å; V55-L65 HydrophobicContact CG1-CB 4.15Å; V55-L65 HydrophobicContact CG1-CD1 4.48Å; Q63-L65 PolarHBondContact O-N 2.96Å; L65-L84 HydrophobicContact CD2-CD1 4.18Å; L65-L84 HydrophobicContact CD2-CD2 3.55Å; L65-Y97 HydrophobicContact CD2-CD1 4.02Å; L65-Y97 HydrophobicContact CD2-CE1 3.74Å
66	L	94.4	Very high	86.1	Confident	76 Å²	76	90.1 Å²	90.1	40%	0.398	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.6	-177.6	-176	66.3	0	0	0	109.1	F52 W53 F82 L84	F52-L66 CarbonylContact C-O 3.54Å; F52-L66 WeakPolarHBondContact CA-O 3.35Å; W53-L66 HydrophobicContact CB-CB 4.14Å; W53-L66 PolarHBondContact N-O 2.97Å; W53-L66 PolarHBondContact O-N 2.67Å; L66-F82 HydrophobicContact CD2-CE1 4.43Å; L66-F82 HydrophobicContact CD2-CE2 4.24Å; L66-F82 HydrophobicContact CD2-CZ 3.74Å; L66-F82 HydrophobicContact CG-CZ 3.98Å; L66-L84 HydrophobicContact CD2-CD1 4.3Å
67	K	92.9	Very high	84.5	Confident	105 Å²	105	91.8 Å²	91.8	46%	0.457	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.3	176.4	65.1	-174.1	-171.9	162.4	0	110.2	L51 F52 L64 Y69	L51-K67 CarbonylContact O-C 3.48Å; L51-K67 WeakPolarHBondContact O-CA 3.31Å; F52-K67 HydrophobicContact CD1-CB 3.81Å; F52-K67 HydrophobicContact CE1-CB 4.1Å; L64-K67 HydrophobicContact CD1-CB 4.45Å; L64-K67 HydrophobicContact CD2-CB 4.44Å; L64-K67 HydrophobicContact CD2-CD 4.06Å; K67-Y69 HydrophobicContact CD-CE2 3.61Å; K67-Y69 WeakPolarHBondContact CD-OH 3.42Å; K67-Y69 HydrophobicContact CG-CE2 3.92Å; K67-Y69 PolarHBondContact NZ-OH 3.26Å
68	Y	88.3	Confident	83	Confident	22 Å²	22	93.4 Å²	93.4	9%	0.086	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.2	173.3	168.8	-97.6	0	0	0	109.6	L51 D72 F75	L51-Y68 HydrophobicContact CB-CD1 4.42Å; L51-Y68 HydrophobicContact CD1-CD1 3.91Å; L51-Y68 HydrophobicContact CD1-CE1 4.48Å; L51-Y68 HydrophobicContact CG-CD1 4.42Å; L51-Y68 PolarHBondContact N-O 2.9Å; L51-Y68 VanDerWaalsContact N-O 3.1Å; L51-Y68 PolarHBondContact O-N 2.79Å; Y68-D72 HydrophobicContact CD2-CB 4.05Å; Y68-D72 HydrophobicContact CE2-CB 3.67Å; Y68-F75 HydrophobicContact CD1-CD1 4.21Å; Y68-F75 HydrophobicContact CD1-CE1 4.43Å; Y68-F75 HydrophobicContact CD2-CB 3.7Å; Y68-F75 HydrophobicContact CD2-CD1 4.12Å; Y68-F75 AromaticContact CD2-CG 3.95Å; Y68-F75 HydrophobicContact CD2-CG 3.95Å; Y68-F75 AromaticContact CE1-CD1 3.76Å; Y68-F75 HydrophobicContact CE1-CD1 3.76Å; Y68-F75 HydrophobicContact CE1-CE1 4.19Å; Y68-F75 HydrophobicContact CE2-CB 3.21Å; Y68-F75 AromaticContact CE2-CD1 3.68Å; Y68-F75 HydrophobicContact CE2-CD1 3.68Å; Y68-F75 AromaticContact CE2-CG 3.7Å; Y68-F75 HydrophobicContact CE2-CG 3.7Å; Y68-F75 HydrophobicContact CG-CD1 4.35Å; Y68-F75 HydrophobicContact CG-CG 4.48Å; Y68-F75 AromaticContact CZ-CD1 3.46Å; Y68-F75 VanDerWaalsContact CZ-CD1 3.46Å; Y68-F75 AromaticContact CZ-CG 4Å
69	Y	85.3	Confident	82	Confident	108 Å²	108	95 Å²	95	42%	0.424	51%	0.507	S	S	.	.			trans	-112.5	133.1	169.2	-54.4	-88.9	0	0	0	108.1	Y50 K67 G71 D72	Y50-Y69 AromaticContact CD1-CD1 3.37Å; Y50-Y69 HydrophobicContact CD1-CD1 3.37Å; Y50-Y69 HydrophobicContact CD1-CE1 4.19Å; Y50-Y69 HydrophobicContact CD1-CG 4.12Å; Y50-Y69 AromaticContact CE1-CD1 3.53Å; Y50-Y69 HydrophobicContact CE1-CD1 3.53Å; Y50-Y69 HydrophobicContact CE1-CG 4.27Å; K67-Y69 HydrophobicContact CD-CE2 3.61Å; K67-Y69 WeakPolarHBondContact CD-OH 3.42Å; K67-Y69 HydrophobicContact CG-CE2 3.92Å; K67-Y69 PolarHBondContact NZ-OH 3.26Å; Y69-G71 PolarHBondContact O-N 2.02Å; Y69-D72 WeakPolarHBondContact O-CB 3.49Å; Y69-D72 PolarHBondContact O-N 2.9Å
70	S	73.6	Confident	81.6	Confident	41 Å²	41	85.6 Å²	85.6	29%	0.287	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	134.2	174.2	57.9	0	0	0	0	113.7	T48	T48-S70 WeakPolarHBondContact CG2-OG 3.38Å
71	G	70.7	Confident	81.4	Confident	72 Å²	72	82.3 Å²	82.3	74%	0.742	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-8.8	-177.1	0	0	0	0	0	113.5	Y69 P73	Y69-G71 PolarHBondContact O-N 2.02Å; G71-P73 WeakPolarHBondContact O-CD 3.33Å
72	D	68.6	Low	81.1	Confident	70 Å²	70	80.3 Å²	80.3	37%	0.374	44%	0.444	S	S	.	.			trans	-66.1	118.6	166.7	178	-6.6	0	0	0	109.5	Y68 Y69 E74 F75	Y68-D72 HydrophobicContact CD2-CB 4.05Å; Y68-D72 HydrophobicContact CE2-CB 3.67Å; Y69-D72 WeakPolarHBondContact O-CB 3.49Å; Y69-D72 PolarHBondContact O-N 2.9Å; D72-E74 PolarHBondContact O-N 3.08Å; D72-E74 PolarHBondContact OD1-N 3.2Å; D72-E74 VanDerWaalsContact OD1-N 3.14Å; D72-F75 PolarHBondContact O-N 3.1Å
73	P	63.9	Low	81	Confident	128 Å²	128	78.5 Å²	78.5	83%	0.831	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.6	-172.6	27.7	-35.8	0	0	0	113.6	G71 F75	G71-P73 WeakPolarHBondContact O-CD 3.33Å; P73-F75 PolarHBondContact O-N 3.4Å
74	E	65.4	Low	80.9	Confident	179 Å²	179	76.1 Å²	76.1	84%	0.836	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.9	-178.1	-163.3	171.5	175.7	0	0	112.3	D72	D72-E74 PolarHBondContact O-N 3.08Å; D72-E74 PolarHBondContact OD1-N 3.2Å; D72-E74 VanDerWaalsContact OD1-N 3.14Å
75	F	63.7	Low	80.7	Confident	51 Å²	51	78.7 Å²	78.7	22%	0.224	43%	0.432	C	S	.	.			trans	-111.9	111.4	-174.5	-167.9	-104.7	0	0	0	112.7	L51 Y68 D72 P73 K77 S81 F82	L51-F75 HydrophobicContact CD1-CE1 4.01Å; L51-F75 HydrophobicContact CD1-CZ 4.12Å; Y68-F75 HydrophobicContact CD1-CD1 4.21Å; Y68-F75 HydrophobicContact CD1-CE1 4.43Å; Y68-F75 HydrophobicContact CD2-CB 3.7Å; Y68-F75 HydrophobicContact CD2-CD1 4.12Å; Y68-F75 AromaticContact CD2-CG 3.95Å; Y68-F75 HydrophobicContact CD2-CG 3.95Å; Y68-F75 AromaticContact CE1-CD1 3.76Å; Y68-F75 HydrophobicContact CE1-CD1 3.76Å; Y68-F75 HydrophobicContact CE1-CE1 4.19Å; Y68-F75 HydrophobicContact CE2-CB 3.21Å; Y68-F75 AromaticContact CE2-CD1 3.68Å; Y68-F75 HydrophobicContact CE2-CD1 3.68Å; Y68-F75 AromaticContact CE2-CG 3.7Å; Y68-F75 HydrophobicContact CE2-CG 3.7Å; Y68-F75 HydrophobicContact CG-CD1 4.35Å; Y68-F75 HydrophobicContact CG-CG 4.48Å; Y68-F75 AromaticContact CZ-CD1 3.46Å; Y68-F75 VanDerWaalsContact CZ-CD1 3.46Å; Y68-F75 AromaticContact CZ-CG 4Å; D72-F75 PolarHBondContact O-N 3.1Å; P73-F75 PolarHBondContact O-N 3.4Å; F75-K77 PolarHBondContact O-N 3.24Å; F75-S81 WeakPolarHBondContact CZ-O 3Å; F75-F82 HydrophobicContact CD2-CD2 4.44Å; F75-F82 AromaticContact CE2-CD2 3.59Å; F75-F82 HydrophobicContact CE2-CD2 3.59Å; F75-F82 HydrophobicContact CE2-CE2 4.18Å; F75-F82 HydrophobicContact CZ-CB 4.44Å; F75-F82 AromaticContact CZ-CD2 3.7Å; F75-F82 HydrophobicContact CZ-CD2 3.7Å
76	S	64.3	Low	80.7	Confident	81 Å²	81	78.6 Å²	78.6	57%	0.566	43%	0.429	S	S	*	.			trans	-76.8	124.5	168.2	96.8	0	0	0	0	109.8	S78	S76-S78 PolarHBondContact O-N 3.03Å; S76-S78 WeakPolarHBondContact OG-CB 3.48Å; S76-S78 PolarHBondContact OG-OG 3.14Å
77	K	64.8	Low	80.9	Confident	110 Å²	110	79.3 Å²	79.3	48%	0.478	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-60.2	-4.9	172	-176.8	171.1	176.7	173.8	0	113.6	A47 F75 N79 S80	A47-K77 PolarHBondContact O-NZ 3.27Å; F75-K77 PolarHBondContact O-N 3.24Å; K77-N79 PolarHBondContact O-N 3.12Å; K77-S80 PolarHBondContact O-N 3.42Å
78	S	66.2	Low	81.1	Confident	85 Å²	85	76.6 Å²	76.6	59%	0.594	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-51.1	-30.6	-156.2	57.9	0	0	0	0	115.9	S76	S76-S78 PolarHBondContact O-N 3.03Å; S76-S78 WeakPolarHBondContact OG-CB 3.48Å; S76-S78 PolarHBondContact OG-OG 3.14Å
79	N	76.8	Confident	81.6	Confident	121 Å²	121	76.2 Å²	76.2	65%	0.647	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-125.4	12.5	-170.6	-68.2	-36.2	0	0	0	116.2	K77 S81	K77-N79 PolarHBondContact O-N 3.12Å; N79-S81 PolarHBondContact O-N 3.07Å; N79-S81 VanDerWaalsContact O-N 3.12Å
80	S	88.9	Confident	82.2	Confident	55 Å²	55	75.2 Å²	75.2	39%	0.385	44%	0.438	S	S	.	.	S	Bend	trans	49.6	38.1	-177.3	-51.5	0	0	0	0	113.1	K42 Y43 K77	K42-S80 WeakPolarHBondContact CA-O 3.31Å; Y43-S80 WeakPolarHBondContact CD1-O 3.42Å; Y43-S80 PolarHBondContact N-O 3.5Å; Y43-S80 VanDerWaalsContact O-CB 3.31Å; Y43-S80 WeakPolarHBondContact O-CB 3.31Å; K77-S80 PolarHBondContact O-N 3.42Å
81	S	92.2	Very high	83.2	Confident	28 Å²	28	81.6 Å²	81.6	20%	0.196	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-127.5	143.8	-177.2	57.2	0	0	0	0	110.6	C41 F75 N79 H83	C41-S81 CarbonylContact O-C 3.58Å; C41-S81 WeakPolarHBondContact O-CA 3.4Å; F75-S81 WeakPolarHBondContact CZ-O 3Å; N79-S81 PolarHBondContact O-N 3.07Å; N79-S81 VanDerWaalsContact O-N 3.12Å; S81-H83 VanDerWaalsContact CB-CE1 3.43Å; S81-H83 WeakPolarHBondContact CB-CE1 3.34Å
82	F	92.8	Very high	84.5	Confident	9 Å²	9	82.4 Å²	82.4	4%	0.039	45%	0.451	C	S	.	.			trans	-134.8	66.7	178.2	-171.2	-126.2	0	0	0	109.7	C41 Y43 L51 W53 L66 F75	C41-F82 WeakPolarHBondContact CB-O 3.41Å; C41-F82 PolarHBondContact O-N 2.84Å; Y43-F82 HydrophobicContact CD1-CB 4.48Å; L51-F82 HydrophobicContact CB-CB 4.43Å; L51-F82 HydrophobicContact CB-CD1 3.57Å; L51-F82 HydrophobicContact CB-CD2 4.16Å; L51-F82 HydrophobicContact CB-CE1 3.7Å; L51-F82 HydrophobicContact CB-CE2 4.31Å; L51-F82 HydrophobicContact CB-CG 3.8Å; L51-F82 HydrophobicContact CB-CZ 4.08Å; L51-F82 HydrophobicContact CD1-CB 4.01Å; L51-F82 HydrophobicContact CD1-CD2 4.07Å; L51-F82 HydrophobicContact CD1-CG 4Å; L51-F82 HydrophobicContact CD2-CB 4.35Å; L51-F82 HydrophobicContact CG-CB 4.5Å; L51-F82 HydrophobicContact CG-CD1 4.49Å; L51-F82 HydrophobicContact CG-CG 4.35Å; W53-F82 AromaticContact CD1-CD1 3.48Å; W53-F82 VanDerWaalsContact CD1-CD1 3.48Å; W53-F82 AromaticContact CD1-CE1 3.29Å; W53-F82 HydrophobicContact CG-CE1 4.29Å; W53-F82 AromaticContact NE1-CD1 3.45Å; W53-F82 AromaticContact NE1-CE1 3.79Å; W53-F82 PolarHBondContact NE1-O 2.87Å; L66-F82 HydrophobicContact CD2-CE1 4.43Å; L66-F82 HydrophobicContact CD2-CE2 4.24Å; L66-F82 HydrophobicContact CD2-CZ 3.74Å; L66-F82 HydrophobicContact CG-CZ 3.98Å; F75-F82 HydrophobicContact CD2-CD2 4.44Å; F75-F82 AromaticContact CE2-CD2 3.59Å; F75-F82 HydrophobicContact CE2-CD2 3.59Å; F75-F82 HydrophobicContact CE2-CE2 4.18Å; F75-F82 HydrophobicContact CZ-CB 4.44Å; F75-F82 AromaticContact CZ-CD2 3.7Å; F75-F82 HydrophobicContact CZ-CD2 3.7Å
83	H	94.7	Very high	85.8	Confident	61 Å²	61	79.9 Å²	79.9	28%	0.282	44%	0.437	S	S	.	.			trans	-73.8	140	-173.7	-59.2	-15.4	0	0	0	111.1	Q38 L39 C41 S81	Q38-H83 HydrophobicContact CG-CB 3.94Å; L39-H83 WeakPolarHBondContact O-CA 3.46Å; C41-H83 PolarHBondContact N-ND1 2.97Å; C41-H83 PolarHBondContact O-CE1 3.18Å; C41-H83 VanDerWaalsContact O-CE1 3.26Å; C41-H83 PolarHBondContact O-ND1 2.82Å; C41-H83 VanDerWaalsContact O-ND1 3.08Å; S81-H83 VanDerWaalsContact CB-CE1 3.43Å; S81-H83 WeakPolarHBondContact CB-CE1 3.34Å
84	L	95.7	Very high	87.4	Confident	29 Å²	29	77.4 Å²	77.4	15%	0.152	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.2	171.2	179.9	67.1	0	0	0	108.5	Q38 L39 W53 L65 L66 Y97	Q38-L84 CarbonylContact C-O 3.53Å; Q38-L84 WeakPolarHBondContact CA-O 3.07Å; L39-L84 HydrophobicContact CB-CB 4.3Å; L39-L84 HydrophobicContact CD1-CD2 4.28Å; L39-L84 PolarHBondContact N-O 3.49Å; L39-L84 PolarHBondContact O-N 2.88Å; W53-L84 HydrophobicContact CD2-CB 3.93Å; W53-L84 HydrophobicContact CD2-CD2 4.18Å; W53-L84 HydrophobicContact CE3-CD2 4.34Å; W53-L84 HydrophobicContact CG-CB 4.16Å; W53-L84 HydrophobicContact CG-CD2 4.28Å; W53-L84 HydrophobicContact CZ2-CB 3.92Å; L65-L84 HydrophobicContact CD2-CD1 4.18Å; L65-L84 HydrophobicContact CD2-CD2 3.55Å; L66-L84 HydrophobicContact CD2-CD1 4.3Å; L84-Y97 HydrophobicContact CD2-CD1 3.72Å; L84-Y97 HydrophobicContact CD2-CE1 3.97Å
85	Q	95.4	Very high	88.9	Confident	141 Å²	141	70.4 Å²	70.4	66%	0.659	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.3	178	-69	-177	5.8	0	0	110.8	L37 Q38	L37-Q85 CarbonylContact O-C 3.6Å; L37-Q85 WeakPolarHBondContact O-CA 3.43Å; Q38-Q85 HydrophobicContact CB-CG 4.24Å; Q38-Q85 HydrophobicContact CG-CG 3.91Å
86	K	96.6	Very high	90.6	Very high	79 Å²	79	71.7 Å²	71.7	34%	0.343	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.7	169.1	-174.1	158.9	-172.2	159.5	0	109.1	S36 L37 S88 V89 D93	S36-K86 CarbonylContact C-O 3.59Å; S36-K86 VanDerWaalsContact CA-O 3.31Å; S36-K86 WeakPolarHBondContact CA-O 3.45Å; L37-K86 PolarHBondContact N-O 3.12Å; L37-K86 PolarHBondContact O-N 2.87Å; K86-S88 WeakPolarHBondContact CE-O 3.28Å; K86-V89 HydrophobicContact CB-CG2 4.26Å; K86-V89 HydrophobicContact CD-CG2 4.32Å; K86-V89 HydrophobicContact CG-CG2 4.18Å; K86-D93 WeakPolarHBondContact CD-OD2 3.42Å; K86-D93 WeakPolarHBondContact CE-OD2 3.36Å; K86-D93 IonicContact NZ-OD1 2.63Å; K86-D93 PolarHBondContact NZ-OD1 3.23Å; K86-D93 IonicContact NZ-OD2 2.73Å; K86-D93 PolarHBondContact NZ-OD2 2.87Å
87	A	97.6	Very high	92.2	Very high	90 Å²	90	69.6 Å²	69.6	74%	0.744	39%	0.387	S	S	*	.	S	Bend	trans	-71.9	-35.7	-174.8	0	0	0	0	0	113.1	S36	S36-A87 VanDerWaalsContact CA-O 3.31Å; S36-A87 WeakPolarHBondContact CA-O 2.99Å; S36-A87 WeakPolarHBondContact CB-O 3.38Å; S36-A87 PolarHBondContact N-O 3.32Å
88	S	98	Very high	93.8	Very high	49 Å²	49	68.3 Å²	68.3	34%	0.343	38%	0.382	S	S	.	.	S	Bend	trans	-140.4	113.1	177.9	174.3	0	0	0	0	108.7	K86	K86-S88 WeakPolarHBondContact CE-O 3.28Å
89	V	97.9	Very high	95.2	Very high	13 Å²	13	64.7 Å²	64.7	8%	0.079	36%	0.356	C	S	.	.			trans	-86.1	141.2	179.6	180	0	0	0	0	110.7	V31 E33 G34 A35 L37 K86 D93	V31-V89 HydrophobicContact CG1-CB 4.11Å; V31-V89 HydrophobicContact CG1-CG1 3.86Å; V31-V89 HydrophobicContact CG1-CG2 4.13Å; E33-V89 WeakPolarHBondContact CA-O 3.35Å; G34-V89 PolarHBondContact N-O 3.48Å; A35-V89 WeakPolarHBondContact O-CG2 3.48Å; A35-V89 PolarHBondContact O-N 2.91Å; L37-V89 HydrophobicContact CB-CG2 3.45Å; L37-V89 VanDerWaalsContact CB-CG2 3.45Å; L37-V89 HydrophobicContact CD2-CG2 4.03Å; L37-V89 HydrophobicContact CG-CG2 4.39Å; K86-V89 HydrophobicContact CB-CG2 4.26Å; K86-V89 HydrophobicContact CD-CG2 4.32Å; K86-V89 HydrophobicContact CG-CG2 4.18Å; V89-D93 HydrophobicContact CG1-CB 3.97Å
90	H	98	Very high	96.2	Very high	87 Å²	87	60.3 Å²	60.3	40%	0.403	34%	0.337	S	S	.	.			trans	-117.3	162.4	173.4	-72.4	-75.8	0	0	0	111.4	E33 S92 D93	E33-H90 IonicContact OE1-ND1 3.39Å; E33-H90 PolarHBondContact OE1-ND1 3.36Å; H90-S92 PolarHBondContact O-N 2.89Å; H90-S92 VanDerWaalsContact O-N 3.14Å; H90-D93 PolarHBondContact N-OD2 2.95Å; H90-D93 VanDerWaalsContact O-CB 3.26Å; H90-D93 WeakPolarHBondContact O-CB 3.19Å; H90-D93 PolarHBondContact O-N 3.19Å
91	W	96	Very high	96.4	Very high	175 Å²	175	59 Å²	59	66%	0.663	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-54.8	-33.4	175.1	-61	105.7	0	0	0	113.3	E33 D93 S94	E33-W91 HydrophobicContact CB-CZ2 4.29Å; E33-W91 PolarHBondContact OE1-NE1 3.42Å; E33-W91 PolarHBondContact OE2-NE1 2.77Å; W91-D93 PolarHBondContact O-N 3.31Å; W91-S94 VanDerWaalsContact O-CB 3.26Å; W91-S94 WeakPolarHBondContact O-CB 3.39Å; W91-S94 PolarHBondContact O-N 2.75Å; W91-S94 VanDerWaalsContact O-N 3.08Å; W91-S94 PolarHBondContact O-OG 2.79Å
92	S	96.3	Very high	96.3	Very high	89 Å²	89	61.2 Å²	61.2	62%	0.622	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-64.5	-13.9	176.3	53.5	0	0	0	0	113.9	Y57 H90 S94	Y57-S92 WeakPolarHBondContact CE1-O 3.41Å; H90-S92 PolarHBondContact O-N 2.89Å; H90-S92 VanDerWaalsContact O-N 3.14Å; S92-S94 VanDerWaalsContact C-N 3.27Å
93	D	97.3	Very high	96.4	Very high	18 Å²	18	63.8 Å²	63.8	10%	0.096	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-83.8	-2.4	174.2	-60.4	-44.9	0	0	0	113.2	K86 V89 H90 W91 A95 Y97	K86-D93 WeakPolarHBondContact CD-OD2 3.42Å; K86-D93 WeakPolarHBondContact CE-OD2 3.36Å; K86-D93 IonicContact NZ-OD1 2.63Å; K86-D93 PolarHBondContact NZ-OD1 3.23Å; K86-D93 IonicContact NZ-OD2 2.73Å; K86-D93 PolarHBondContact NZ-OD2 2.87Å; V89-D93 HydrophobicContact CG1-CB 3.97Å; H90-D93 PolarHBondContact N-OD2 2.95Å; H90-D93 VanDerWaalsContact O-CB 3.26Å; H90-D93 WeakPolarHBondContact O-CB 3.19Å; H90-D93 PolarHBondContact O-N 3.19Å; W91-D93 PolarHBondContact O-N 3.31Å; D93-A95 PolarHBondContact O-N 2.71Å; D93-Y97 WeakPolarHBondContact O-CE2 3.41Å; D93-Y97 PolarHBondContact O-OH 2.67Å
94	S	97.2	Very high	96.5	Very high	76 Å²	76	63.9 Å²	63.9	53%	0.531	36%	0.36	S	S	.	.			trans	-66.4	101.3	178.3	-58.8	0	0	0	0	110.4	W91 S92	W91-S94 VanDerWaalsContact O-CB 3.26Å; W91-S94 WeakPolarHBondContact O-CB 3.39Å; W91-S94 PolarHBondContact O-N 2.75Å; W91-S94 VanDerWaalsContact O-N 3.08Å; W91-S94 PolarHBondContact O-OG 2.79Å; S92-S94 VanDerWaalsContact C-N 3.27Å
95	A	97.8	Very high	96.6	Very high	31 Å²	31	65.9 Å²	65.9	26%	0.256	37%	0.372	S	S	.	.	S	Bend	trans	-156.7	172.7	-174.4	0	0	0	0	0	111.5	V55 Q56 Y57 D93 Y97	V55-A95 HydrophobicContact CG2-CB 3.49Å; V55-A95 VanDerWaalsContact CG2-CB 3.49Å; Q56-A95 WeakPolarHBondContact O-CB 3.37Å; Y57-A95 HydrophobicContact CD1-CB 3.62Å; Y57-A95 HydrophobicContact CE1-CB 3.79Å; Y57-A95 HydrophobicContact CG-CB 4.3Å; D93-A95 PolarHBondContact O-N 2.71Å; A95-Y97 HydrophobicContact CB-CD2 4.39Å; A95-Y97 HydrophobicContact CB-CE2 3.84Å
96	V	98	Very high	96.7	Very high	78 Å²	78	61.5 Å²	61.5	47%	0.473	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.8	166.9	-171.1	0	0	0	0	108.7	V55 Q56 F98	V55-V96 CarbonylContact C-O 3.56Å; V55-V96 WeakPolarHBondContact CA-O 3.31Å; Q56-V96 HydrophobicContact CB-CB 4.43Å; Q56-V96 PolarHBondContact N-O 2.96Å; Q56-V96 PolarHBondContact O-N 2.81Å; V96-F98 HydrophobicContact CB-CE2 3.92Å; V96-F98 HydrophobicContact CB-CZ 4.18Å; V96-F98 HydrophobicContact CG1-CD2 4.17Å; V96-F98 HydrophobicContact CG1-CE1 3.96Å; V96-F98 HydrophobicContact CG1-CE2 3.46Å; V96-F98 VanDerWaalsContact CG1-CE2 3.46Å; V96-F98 HydrophobicContact CG1-CZ 3.34Å
97	Y	98.1	Very high	96.7	Very high	37 Å²	37	60.4 Å²	60.4	15%	0.145	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	-179.5	-68.7	-97.2	0	0	0	110.2	Q24 L39 Y54 V55 L65 L84 D93 A95	Q24-Y97 PolarHBondContact NE2-O 2.74Å; L39-Y97 HydrophobicContact CD1-CD1 4.01Å; L39-Y97 HydrophobicContact CD1-CD2 3.74Å; L39-Y97 HydrophobicContact CD1-CE2 4.44Å; L39-Y97 HydrophobicContact CD1-CG 3.49Å; L39-Y97 VanDerWaalsContact CD1-CG 3.49Å; Y54-Y97 CarbonylContact O-C 3.6Å; Y54-Y97 WeakPolarHBondContact O-CA 2.84Å; V55-Y97 HydrophobicContact CB-CD1 4.09Å; V55-Y97 HydrophobicContact CB-CE1 3.98Å; V55-Y97 HydrophobicContact CG2-CD1 4.01Å; V55-Y97 HydrophobicContact CG2-CE1 3.61Å; V55-Y97 HydrophobicContact CG2-CE2 4.33Å; L65-Y97 HydrophobicContact CD2-CD1 4.02Å; L65-Y97 HydrophobicContact CD2-CE1 3.74Å; L84-Y97 HydrophobicContact CD2-CD1 3.72Å; L84-Y97 HydrophobicContact CD2-CE1 3.97Å; D93-Y97 WeakPolarHBondContact O-CE2 3.41Å; D93-Y97 PolarHBondContact O-OH 2.67Å; A95-Y97 HydrophobicContact CB-CD2 4.39Å; A95-Y97 HydrophobicContact CB-CE2 3.84Å
98	F	97.9	Very high	96.6	Very high	83 Å²	83	58.4 Å²	58.4	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.6	-178.1	-58.6	-88.5	0	0	0	110.3	W53 Y54 Q56 L62 V96	W53-F98 CarbonylContact C-O 3.57Å; W53-F98 WeakPolarHBondContact CA-O 3.15Å; W53-F98 VanDerWaalsContact CE3-C 3.49Å; Y54-F98 PolarHBondContact N-O 2.83Å; Y54-F98 PolarHBondContact O-N 2.8Å; Q56-F98 HydrophobicContact CB-CE2 4.07Å; L62-F98 HydrophobicContact CD1-CD2 3.57Å; L62-F98 HydrophobicContact CD1-CE2 3.85Å; V96-F98 HydrophobicContact CB-CE2 3.92Å; V96-F98 HydrophobicContact CB-CZ 4.18Å; V96-F98 HydrophobicContact CG1-CD2 4.17Å; V96-F98 HydrophobicContact CG1-CE1 3.96Å; V96-F98 HydrophobicContact CG1-CE2 3.46Å; V96-F98 VanDerWaalsContact CG1-CE2 3.46Å; V96-F98 HydrophobicContact CG1-CZ 3.34Å
99	C	97.1	Very high	96.5	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.9	168.5	-168.9	0	0	0	0	109.7	V22 Q24 C41 F52 W53	V22-C99 HydrophobicContact CG2-CB 3.96Å; Q24-C99 HydrophobicContact CG-CB 4.08Å; C41-C99 HydrophobicContact CB-CB 3.49Å; C41-C99 VanDerWaalsContact CB-CB 3.49Å; C41-C99 WeakPolarHBondContact CB-SG 3.38Å; C41-C99 WeakPolarHBondContact SG-CB 3.41Å; C41-C99 CovalentContact SG-SG 2.02Å; C41-C99 PolarHBondContact SG-SG 3.33Å; F52-C99 CarbonylContact O-C 3.57Å; F52-C99 WeakPolarHBondContact O-CA 3.44Å; W53-C99 HydrophobicContact CD2-CB 4.2Å; W53-C99 HydrophobicContact CE3-CB 4.1Å; W53-C99 HydrophobicContact CH2-CB 3.81Å; W53-C99 HydrophobicContact CZ2-CB 3.89Å; W53-C99 HydrophobicContact CZ3-CB 3.89Å
100	A	96.6	Very high	96.4	Very high	30 Å²	30	62.6 Å²	62.6	25%	0.248	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.8	179	0	0	0	0	0	111.9	L51 F52 Y54	L51-A100 WeakPolarHBondContact CA-O 3.35Å; F52-A100 HydrophobicContact CB-CB 4.34Å; F52-A100 PolarHBondContact N-O 3.49Å; F52-A100 PolarHBondContact O-N 2.72Å; Y54-A100 HydrophobicContact CD2-CB 4.39Å; Y54-A100 HydrophobicContact CE2-CB 4.1Å
101	L	93.4	Very high	96.3	Very high	28 Å²	28	60.6 Å²	60.6	15%	0.147	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.7	179.1	168.6	69.4	0	0	0	108.7	Q20 Y43 Y45 P49 Y50 L51	Q20-L101 HydrophobicContact CB-CD2 3.79Å; Q20-L101 HydrophobicContact CG-CD2 4.29Å; Y43-L101 HydrophobicContact CD2-CD1 4.3Å; Y45-L101 HydrophobicContact CD1-CD1 4.11Å; Y45-L101 HydrophobicContact CG-CD2 4.38Å; P49-L101 HydrophobicContact CB-CD1 3.44Å; P49-L101 VanDerWaalsContact CB-CD1 3.44Å; Y50-L101 CarbonylContact O-C 3.59Å; Y50-L101 WeakPolarHBondContact O-CA 2.99Å; L51-L101 HydrophobicContact CD2-CB 4.31Å; L51-L101 HydrophobicContact CD2-CD1 3.78Å; L51-L101 HydrophobicContact CG-CD1 4.49Å
102	S	89.7	Confident	96.3	Very high	73 Å²	73	50.2 Å²	50.2	51%	0.51	31%	0.314	S	S	.	.			trans	-136.8	0	167.5	178.7	0	0	0	0	112.1	Q20 Y50	Q20-S102 PolarHBondContact NE2-OXT 2.85Å; Q20-S102 PolarHBondContact OE1-OXT 2.85Å; Y50-S102 PolarHBondContact N-O 2.64Å; Y50-S102 PolarHBondContact O-N 2.85Å

Retrieved 102 of 102 residues in 94.8 ms (Link to these results)

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