A0A075B5U3_MOUSE Loading...

Immunoglobulin heavy variable 1-62-1

AlphaFold DB , UniProt , Accession A0A075B5U3, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-62-1, Length 116 aa.

						>A0A075B5U3_MOUSE|A0A075B5U3|Ighv1-62-1
MEQSWVLLFLLSETAGVHCQVQLQQSGAELVRPGASVKLSCKASGYTFTSYWMQWVKQRPGQGLEWIGEIFPGSGSTYYNEKFKGKATLTVDTSSSTAYMQLSSLTAENSAIYLCK
					

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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	37.7	Very low	52.3	Low	222 Å²	222	155.5 Å²	155.5	100%	1.094	78%	0.776	S	S	*	*				0	115.9	0	-64.1	-164.7	-60.5	0	0	109.1
2	E	41.4	Very low	53.2	Low	146 Å²	146	151.2 Å²	151.2	68%	0.682	77%	0.771	S	S	*	*			cis	-172.6	133.8	-25	-93.7	-23.4	68.8	0	0	105.4
3	Q	41.9	Very low	53.4	Low	138 Å²	138	152.8 Å²	152.8	65%	0.645	77%	0.774	S	S	*	*			cis	-141.7	168.4	-10.6	-81.2	-177.2	-5.2	0	0	109
4	S	51.5	Low	54	Low	107 Å²	107	151 Å²	151	75%	0.748	77%	0.774	S	S	*	*			trans	-83.7	114.5	173.7	-172.5	0	0	0	0	111.4	V6	S4-V6 PolarHBondContact O-N 3.26Å
5	W	51.8	Low	54.5	Low	225 Å²	225	146.9 Å²	146.9	85%	0.852	77%	0.772	S	S	*	*			trans	-87.5	76.2	175.1	-65.2	90.6	0	0	0	110.9	L7	W5-L7 PolarHBondContact O-N 3.07Å; W5-L7 VanDerWaalsContact O-N 3.14Å
6	V	62.1	Low	54.9	Low	109 Å²	109	141.6 Å²	141.6	66%	0.661	76%	0.763	S	S	*	*			trans	-75	100	167.8	-176.9	0	0	0	0	108.4	S4 L8	S4-V6 PolarHBondContact O-N 3.26Å; V6-L8 HydrophobicContact CG1-CG 4.4Å; V6-L8 PolarHBondContact O-N 2.9Å
7	L	62.2	Low	55.3	Low	133 Å²	133	141 Å²	141	70%	0.696	77%	0.766	S	S	*	*			trans	-68.6	93	170.1	-72.7	171.6	0	0	0	109.7	W5 F9	W5-L7 PolarHBondContact O-N 3.07Å; W5-L7 VanDerWaalsContact O-N 3.14Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 HydrophobicContact CB-CD2 4.27Å; L7-F9 HydrophobicContact CB-CE2 4.01Å; L7-F9 HydrophobicContact CD1-CE2 4.33Å; L7-F9 PolarHBondContact O-N 3.4Å
8	L	57.8	Low	55.4	Low	147 Å²	147	142.7 Å²	142.7	77%	0.77	77%	0.767	S	S	*	*			trans	-71	90	167.2	-75.1	169.8	0	0	0	109.3	V6 L10	V6-L8 HydrophobicContact CG1-CG 4.4Å; V6-L8 PolarHBondContact O-N 2.9Å; L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 2.71Å
9	F	56.5	Low	56.3	Low	176 Å²	176	140.4 Å²	140.4	77%	0.772	76%	0.762	S	S	*	*			trans	-67.8	92	162.4	-75.3	-82.2	0	0	0	108.8	L7 L11	L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 HydrophobicContact CB-CD2 4.27Å; L7-F9 HydrophobicContact CB-CE2 4.01Å; L7-F9 HydrophobicContact CD1-CE2 4.33Å; L7-F9 PolarHBondContact O-N 3.4Å; F9-L11 PolarHBondContact O-N 2.83Å
10	L	57.2	Low	57.9	Low	160 Å²	160	140.8 Å²	140.8	84%	0.838	76%	0.758	S	S	*	*			trans	-67	90	162.7	-67.3	176.7	0	0	0	107.9	L8 S12	L8-L10 VanDerWaalsContact C-N 3.29Å; L8-L10 PolarHBondContact O-N 2.71Å; L10-S12 VanDerWaalsContact C-N 3.25Å; L10-S12 PolarHBondContact O-N 2.92Å
11	L	54.8	Low	59.6	Low	148 Å²	148	138.1 Å²	138.1	78%	0.775	75%	0.747	S	S	*	*			trans	-63.3	96.2	159.7	-71	174.7	0	0	0	106.9	F9 E13	F9-L11 PolarHBondContact O-N 2.83Å; L11-E13 PolarHBondContact O-N 3.28Å
12	S	63.3	Low	62.4	Low	103 Å²	103	132.3 Å²	132.3	72%	0.72	72%	0.717	S	S	*	*			trans	-67.5	85.9	164	59.6	0	0	0	0	107.4	L10 T14	L10-S12 VanDerWaalsContact C-N 3.25Å; L10-S12 PolarHBondContact O-N 2.92Å; S12-T14 PolarHBondContact O-N 3.26Å
13	E	56.7	Low	65	Low	173 Å²	173	127.9 Å²	127.9	81%	0.808	70%	0.698	S	S	*	*			trans	-62.3	89.8	163.6	-72.8	-174	-176.1	0	0	107.3	L11 A15	L11-E13 PolarHBondContact O-N 3.28Å; E13-A15 PolarHBondContact O-N 3.03Å
14	T	61.4	Low	67.7	Low	127 Å²	127	126.7 Å²	126.7	78%	0.779	69%	0.692	S	S	*	*			trans	-62.7	95.4	157.6	53	0	0	0	0	105.3	S12 G16	S12-T14 PolarHBondContact O-N 3.26Å; T14-G16 PolarHBondContact O-N 2.84Å
15	A	61.8	Low	69.9	Low	89 Å²	89	124 Å²	124	74%	0.736	67%	0.668	S	S	*	*			trans	-63.1	81.8	167.8	0	0	0	0	0	107.4	E13 V17	E13-A15 PolarHBondContact O-N 3.03Å; A15-V17 PolarHBondContact O-N 2.79Å
16	G	60.3	Low	72	Confident	62 Å²	62	114.9 Å²	114.9	64%	0.639	64%	0.639	S	S	*	*			trans	-59.8	112.3	174	0	0	0	0	0	106.8	T14 H18	T14-G16 PolarHBondContact O-N 2.84Å; G16-H18 PolarHBondContact O-N 3.39Å
17	V	61.8	Low	73.5	Confident	132 Å²	132	112.5 Å²	112.5	80%	0.8	64%	0.636	S	S	*	*			trans	-67.6	90	176.8	-177.9	0	0	0	0	107.1	A15 C19	A15-V17 PolarHBondContact O-N 2.79Å; V17-C19 PolarHBondContact O-N 3.19Å
18	H	57.8	Low	74.9	Confident	172 Å²	172	111.5 Å²	111.5	80%	0.796	65%	0.647	S	S	*	*			trans	-73	98.1	177.9	-151.9	-81.7	0	0	0	107	G16 Q20	G16-H18 PolarHBondContact O-N 3.39Å; H18-Q20 PolarHBondContact O-N 2.91Å
19	C	71.9	Confident	76.5	Confident	98 Å²	98	109.5 Å²	109.5	66%	0.662	63%	0.633	S	S	*	*			trans	-66.6	81.5	174	-77.4	0	0	0	0	109.7	V17	V17-C19 PolarHBondContact O-N 3.19Å
20	Q	88.6	Confident	78.2	Confident	148 Å²	148	109.6 Å²	109.6	69%	0.692	64%	0.641	S	S	*	*			trans	-78	128.3	173.3	-178.2	174	-7.2	0	0	109.5	H18 Q22	H18-Q20 PolarHBondContact O-N 2.91Å; Q20-Q22 PolarHBondContact O-N 2.81Å
21	V	92.8	Very high	79.8	Confident	86 Å²	86	104.5 Å²	104.5	52%	0.521	62%	0.617	S	S	.	*			trans	-66.8	128.6	168.5	174	0	0	0	0	109.1	Y46	V21-Y46 HydrophobicContact CB-CD1 4.45Å; V21-Y46 HydrophobicContact CG1-CD1 3.71Å; V21-Y46 HydrophobicContact CG1-CE1 3.9Å; V21-Y46 HydrophobicContact CG2-CD1 4.18Å
22	Q	96.1	Very high	81.5	Confident	100 Å²	100	107.6 Å²	107.6	47%	0.467	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.5	135.1	177.4	-179.4	178.7	-4.9	0	0	110.3	Q20 S44	Q20-Q22 PolarHBondContact O-N 2.81Å; Q22-S44 PolarHBondContact N-O 3.11Å; Q22-S44 PolarHBondContact O-N 3.48Å
23	L	96.8	Very high	82.8	Confident	52 Å²	52	108.1 Å²	108.1	27%	0.272	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.8	116.5	169.3	-61.3	-175.8	0	0	0	108.6	K42 A43 Y46 M53	L23-K42 WeakPolarHBondContact CA-O 3.42Å; L23-A43 HydrophobicContact CD2-CB 3.98Å; L23-Y46 HydrophobicContact CD2-CE1 4.11Å; L23-M53 HydrophobicContact CD1-CE 4.47Å; L23-M53 HydrophobicContact CD1-SD 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.79Å
24	Q	97.8	Very high	84.5	Confident	113 Å²	113	102.5 Å²	102.5	53%	0.528	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.9	108.3	178.7	-177.3	58.5	64	0	0	109.8	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.49Å; Q24-K42 PolarHBondContact N-O 2.92Å; Q24-K42 PolarHBondContact O-N 2.81Å
25	Q	97.8	Very high	86.1	Confident	50 Å²	50	98.2 Å²	98.2	23%	0.234	59%	0.585	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	157.8	177.1	-72.1	-170.7	-119.2	0	0	113	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.6Å; Q25-S40 VanDerWaalsContact CA-O 3.27Å; Q25-S40 WeakPolarHBondContact CA-O 3.21Å; Q25-C41 HydrophobicContact CG-CB 4.25Å; Q25-Y113 PolarHBondContact NE2-O 3.05Å; Q25-C115 WeakPolarHBondContact CG-SG 3.46Å
26	S	95.7	Very high	87.7	Confident	35 Å²	35	96.8 Å²	96.8	25%	0.245	57%	0.569	C	S	.	*			trans	-58.7	154	162.2	54.7	0	0	0	0	111.6	L39 S40	S26-L39 WeakPolarHBondContact OG-CA 3.45Å; S26-S40 PolarHBondContact N-O 3.28Å; S26-S40 PolarHBondContact OG-N 3.15Å; S26-S40 VanDerWaalsContact OG-N 3.1Å
27	G	94.1	Very high	89.3	Confident	58 Å²	58	94.5 Å²	94.5	60%	0.598	54%	0.543	S	S	*	.			trans	-67.7	177.3	177.7	0	0	0	0	0	113.8
28	A	92.4	Very high	91	Very high	112 Å²	112	93.2 Å²	93.2	93%	0.926	53%	0.527	S	S	*	.			trans	-68.7	134.9	173.9	0	0	0	0	0	111.1
29	E	91.1	Very high	92.9	Very high	105 Å²	105	85.8 Å²	85.8	49%	0.491	49%	0.493	S	S	.	.			trans	-118.7	129.1	179.2	-70	-176.4	-121.7	0	0	110.7	V31 V37	E29-V31 HydrophobicContact CB-CG1 4.48Å; E29-V37 HydrophobicContact CB-CG2 3.84Å; E29-V37 VanDerWaalsContact CD-CG2 3.42Å; E29-V37 HydrophobicContact CG-CG2 4.23Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.48Å
30	L	91.3	Very high	94.1	Very high	179 Å²	179	82.7 Å²	82.7	94%	0.937	47%	0.472	S	S	*	.			trans	-96.9	115.1	171.3	-179.7	64.4	0	0	0	109.2
31	V	90.6	Very high	94.6	Very high	53 Å²	53	75.6 Å²	75.6	32%	0.321	44%	0.439	S	S	.	.			trans	-119.6	152.4	-176.3	-62.8	0	0	0	0	111.9	E29 A35 V37 L105	E29-V31 HydrophobicContact CB-CG1 4.48Å; V31-A35 HydrophobicContact CB-CB 4.37Å; V31-V37 HydrophobicContact CG1-CB 4.25Å; V31-V37 HydrophobicContact CG1-CG2 4.04Å; V31-L105 HydrophobicContact CG2-CD1 3.72Å
32	R	90.9	Very high	94.9	Very high	212 Å²	212	76.9 Å²	76.9	80%	0.8	44%	0.438	S	S	*	.			trans	-75.6	150	175	-64.1	-179.7	-177.3	168.7	1.3	110.5	G34 A35	R32-G34 PolarHBondContact O-N 2.98Å; R32-A35 WeakPolarHBondContact O-CB 3.35Å; R32-A35 PolarHBondContact O-N 2.97Å; R32-A35 VanDerWaalsContact O-N 3.09Å
33	P	91.9	Very high	94.9	Very high	114 Å²	114	72.4 Å²	72.4	74%	0.74	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	140.2	170.3	-25.6	35	0	0	0	112	A35 L105	P33-A35 PolarHBondContact O-N 3.27Å; P33-L105 CarbonylContact C-O 3.45Å; P33-L105 WeakPolarHBondContact CA-O 3.34Å
34	G	92.3	Very high	94.9	Very high	56 Å²	56	72.5 Å²	72.5	58%	0.577	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-13.9	-175	0	0	0	0	0	115	R32 L105	R32-G34 PolarHBondContact O-N 2.98Å; G34-L105 PolarHBondContact N-O 2.81Å
35	A	94.3	Very high	94.8	Very high	36 Å²	36	69.1 Å²	69.1	30%	0.298	42%	0.418	S	S	.	.			trans	-73.9	166.2	175.3	0	0	0	0	0	112.5	V31 R32 P33 S104 L105	V31-A35 HydrophobicContact CB-CB 4.37Å; R32-A35 WeakPolarHBondContact O-CB 3.35Å; R32-A35 PolarHBondContact O-N 2.97Å; R32-A35 VanDerWaalsContact O-N 3.09Å; P33-A35 PolarHBondContact O-N 3.27Å; A35-S104 PolarHBondContact O-N 3.18Å; A35-L105 WeakPolarHBondContact O-CB 3.33Å; A35-L105 PolarHBondContact O-N 3.49Å
36	S	94.8	Very high	94.6	Very high	59 Å²	59	69.4 Å²	69.4	41%	0.413	42%	0.417	S	S	.	.			trans	-106.9	152.2	169.2	-56.5	0	0	0	0	110.6	L102 S103	S36-L102 CarbonylContact C-O 3.51Å; S36-L102 WeakPolarHBondContact CA-O 3.43Å; S36-L102 VanDerWaalsContact CB-O 3.26Å; S36-L102 WeakPolarHBondContact CB-O 3.43Å; S36-S103 WeakPolarHBondContact OG-CA 3.44Å; S36-S103 PolarHBondContact OG-OG 2.86Å
37	V	95.6	Very high	94.6	Very high	14 Å²	14	71.9 Å²	71.9	9%	0.085	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.8	173.3	81.6	0	0	0	0	109.3	E29 V31 L39 Q101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.84Å; E29-V37 VanDerWaalsContact CD-CG2 3.42Å; E29-V37 HydrophobicContact CG-CG2 4.23Å; E29-V37 WeakPolarHBondContact OE2-CG2 3.48Å; V31-V37 HydrophobicContact CG1-CB 4.25Å; V31-V37 HydrophobicContact CG1-CG2 4.04Å; V37-L39 HydrophobicContact CG1-CD2 4.27Å; V37-L39 HydrophobicContact CG1-CG 4.3Å; V37-L39 HydrophobicContact CG2-CD2 4.14Å; V37-Q101 CarbonylContact O-C 3.59Å; V37-Q101 VanDerWaalsContact O-CA 3.31Å; V37-Q101 WeakPolarHBondContact O-CA 3.44Å; V37-L102 HydrophobicContact CG1-CB 4.12Å; V37-L102 HydrophobicContact CG1-CD1 4.24Å; V37-L102 HydrophobicContact CG1-CG 4.5Å; V37-L102 PolarHBondContact N-O 3.06Å; V37-L102 PolarHBondContact O-N 3.05Å; V37-L105 HydrophobicContact CB-CD1 3.85Å; V37-L105 HydrophobicContact CG1-CD1 3.78Å
38	K	96.8	Very high	94.7	Very high	106 Å²	106	69.4 Å²	69.4	46%	0.461	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	96.3	176	-173.4	-175.2	176.8	-173.6	0	110.4	Y99 Q101	K38-Y99 HydrophobicContact CD-CD1 4.48Å; K38-Y99 VanDerWaalsContact CE-CD1 3.49Å; K38-Y99 VanDerWaalsContact CE-CG 3.5Å; K38-Q101 HydrophobicContact CG-CB 4.44Å
39	L	97.4	Very high	95	Very high	15 Å²	15	66.9 Å²	66.9	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	148.3	177.1	-52.1	-178.3	0	0	0	110.4	S26 V37 W55 Y99 M100 Y113	S26-L39 WeakPolarHBondContact OG-CA 3.45Å; V37-L39 HydrophobicContact CG1-CD2 4.27Å; V37-L39 HydrophobicContact CG1-CG 4.3Å; V37-L39 HydrophobicContact CG2-CD2 4.14Å; L39-W55 HydrophobicContact CB-CH2 4.17Å; L39-W55 HydrophobicContact CB-CZ3 4.1Å; L39-W55 HydrophobicContact CD1-CZ3 4.49Å; L39-Y99 VanDerWaalsContact O-CA 3.25Å; L39-Y99 WeakPolarHBondContact O-CA 3.39Å; L39-M100 HydrophobicContact CD1-CE 3.82Å; L39-M100 PolarHBondContact N-O 2.8Å; L39-M100 PolarHBondContact O-N 2.86Å; L39-Y113 VanDerWaalsContact CD1-CB 3.43Å; L39-Y113 HydrophobicContact CD1-CD2 4.38Å; L39-Y113 HydrophobicContact CD1-CG 4Å
40	S	98.3	Very high	95.3	Very high	33 Å²	33	65 Å²	65	23%	0.231	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.8	172.7	70.1	0	0	0	0	111.5	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.6Å; Q25-S40 VanDerWaalsContact CA-O 3.27Å; Q25-S40 WeakPolarHBondContact CA-O 3.21Å; S26-S40 PolarHBondContact N-O 3.28Å; S26-S40 PolarHBondContact OG-N 3.15Å; S26-S40 VanDerWaalsContact OG-N 3.1Å; S40-A98 CarbonylContact C-O 3.57Å; S40-A98 WeakPolarHBondContact CA-O 3.13Å
41	C	98.4	Very high	95.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	106.3	173.8	177.4	0	0	0	0	108.4	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.49Å; Q25-C41 HydrophobicContact CG-CB 4.25Å; C41-W55 HydrophobicContact CB-CH2 3.83Å; C41-W55 HydrophobicContact CB-CZ2 3.96Å; C41-T97 WeakPolarHBondContact O-CA 3.37Å; C41-A98 PolarHBondContact N-O 2.83Å; C41-A98 PolarHBondContact O-N 2.96Å; C41-C115 HydrophobicContact CB-CB 3.49Å; C41-C115 VanDerWaalsContact CB-CB 3.49Å; C41-C115 WeakPolarHBondContact CB-SG 3.34Å; C41-C115 WeakPolarHBondContact SG-CB 3.21Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 2.58Å
42	K	98.3	Very high	95.8	Very high	113 Å²	113	65 Å²	65	49%	0.491	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.2	178	-175.7	175.4	-178.8	178.2	0	110.2	L23 Q24 S95 T97	L23-K42 WeakPolarHBondContact CA-O 3.42Å; Q24-K42 PolarHBondContact N-O 2.92Å; Q24-K42 PolarHBondContact O-N 2.81Å; K42-S95 WeakPolarHBondContact CE-O 3.34Å; K42-T97 HydrophobicContact CB-CG2 4.44Å
43	A	97.5	Very high	96.2	Very high	5 Å²	5	55 Å²	55	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143	179.2	0	0	0	0	0	112.1	L23 Y46 F48 S96	L23-A43 HydrophobicContact CD2-CB 3.98Å; A43-Y46 HydrophobicContact CB-CE1 3.58Å; A43-Y46 WeakPolarHBondContact CB-OH 3.28Å; A43-F48 HydrophobicContact CB-CB 4.4Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 4.01Å; A43-F48 HydrophobicContact CB-CG 4.19Å; A43-S96 PolarHBondContact N-O 2.66Å
44	S	96.3	Very high	96.5	Very high	55 Å²	55	53 Å²	53	39%	0.385	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.3	168.2	52.5	0	0	0	0	111.7	Q22	Q22-S44 PolarHBondContact N-O 3.11Å; Q22-S44 PolarHBondContact O-N 3.48Å
45	G	94.8	Very high	96.8	Very high	42 Å²	42	50.3 Å²	50.3	43%	0.433	27%	0.274	S	S	.	.	S	Bend	trans	86.3	3.2	-179.6	0	0	0	0	0	115.4
46	Y	93.6	Very high	96.9	Very high	55 Å²	55	48.9 Å²	48.9	22%	0.216	26%	0.262	C	S	.	.	S	Bend	trans	-153.6	168.7	175.4	70.9	-78.2	0	0	0	112.3	V21 L23 A43 F48 Y51 M53	V21-Y46 HydrophobicContact CB-CD1 4.45Å; V21-Y46 HydrophobicContact CG1-CD1 3.71Å; V21-Y46 HydrophobicContact CG1-CE1 3.9Å; V21-Y46 HydrophobicContact CG2-CD1 4.18Å; L23-Y46 HydrophobicContact CD2-CE1 4.11Å; A43-Y46 HydrophobicContact CB-CE1 3.58Å; A43-Y46 WeakPolarHBondContact CB-OH 3.28Å; Y46-F48 PolarHBondContact O-N 2.81Å; Y46-Y51 AromaticContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CE2 4.06Å; Y46-Y51 HydrophobicContact CD2-CG 4.27Å; Y46-Y51 AromaticContact CE2-CD2 3.95Å; Y46-Y51 HydrophobicContact CE2-CD2 3.95Å; Y46-Y51 HydrophobicContact CE2-CG 4.3Å; Y46-M53 WeakPolarHBondContact OH-CE 3.43Å
47	T	96	Very high	97	Very high	87 Å²	87	46.2 Å²	46.2	53%	0.534	24%	0.243	S	C	.	.			trans	-73.2	91.3	174.5	-48.3	0	0	0	0	110.4	T49 S50 Y51	T47-T49 PolarHBondContact O-N 2.94Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T47-S50 VanDerWaalsContact CG2-OG 3.26Å; T47-S50 WeakPolarHBondContact CG2-OG 3.02Å; T47-S50 WeakPolarHBondContact O-CB 3.08Å; T47-S50 PolarHBondContact O-N 2.86Å; T47-Y51 WeakPolarHBondContact O-CD2 3.47Å
48	F	96.7	Very high	96.9	Very high	7 Å²	7	49 Å²	49	3%	0.031	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-50.1	-37.4	-175.7	176.6	-117.7	0	0	0	114.3	A43 Y46 S50 M53 P72 V91 A98	A43-F48 HydrophobicContact CB-CB 4.4Å; A43-F48 HydrophobicContact CB-CD2 3.44Å; A43-F48 VanDerWaalsContact CB-CD2 3.44Å; A43-F48 HydrophobicContact CB-CE2 4.01Å; A43-F48 HydrophobicContact CB-CG 4.19Å; Y46-F48 PolarHBondContact O-N 2.81Å; F48-S50 PolarHBondContact O-N 2.76Å; F48-M53 HydrophobicContact CE2-CE 4Å; F48-P72 HydrophobicContact CD1-CB 3.83Å; F48-P72 HydrophobicContact CD1-CG 4.23Å; F48-P72 HydrophobicContact CD2-CG 4.16Å; F48-P72 HydrophobicContact CE1-CB 3.48Å; F48-P72 VanDerWaalsContact CE1-CB 3.48Å; F48-P72 HydrophobicContact CE1-CG 3.85Å; F48-P72 HydrophobicContact CE2-CB 4.33Å; F48-P72 HydrophobicContact CE2-CG 3.75Å; F48-P72 HydrophobicContact CG-CB 4.41Å; F48-P72 HydrophobicContact CG-CG 4.4Å; F48-P72 HydrophobicContact CZ-CB 3.77Å; F48-P72 HydrophobicContact CZ-CG 3.59Å; F48-P72 WeakPolarHBondContact O-CG 3.3Å; F48-V91 HydrophobicContact CE1-CG1 4.46Å; F48-V91 HydrophobicContact CZ-CG1 4.09Å; F48-A98 HydrophobicContact CE2-CB 4.43Å; F48-A98 HydrophobicContact CZ-CB 4.15Å
49	T	98	Very high	96.7	Very high	59 Å²	59	47.1 Å²	47.1	36%	0.362	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-73.3	-6.6	-179.6	48.5	0	0	0	0	115.1	T47 F71 G73 T93	T47-T49 PolarHBondContact O-N 2.94Å; T47-T49 VanDerWaalsContact O-N 3.1Å; T49-F71 WeakPolarHBondContact O-CZ 3.3Å; T49-G73 WeakPolarHBondContact O-CA 3.34Å; T49-G73 PolarHBondContact O-N 2.94Å; T49-T93 HydrophobicContact CG2-CG2 3.8Å
50	S	97.1	Very high	96.2	Very high	66 Å²	66	52 Å²	52	46%	0.462	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-101.8	-4.5	-176.2	-56.8	0	0	0	0	114.9	T47 F48	T47-S50 VanDerWaalsContact CG2-OG 3.26Å; T47-S50 WeakPolarHBondContact CG2-OG 3.02Å; T47-S50 WeakPolarHBondContact O-CB 3.08Å; T47-S50 PolarHBondContact O-N 2.86Å; F48-S50 PolarHBondContact O-N 2.76Å
51	Y	95.9	Very high	95.9	Very high	140 Å²	140	54.8 Å²	54.8	55%	0.549	31%	0.311	S	S	.	.	S	Bend	trans	-132.3	146	-174.9	-62	-94.5	0	0	0	111.4	Y46 T47 P72	Y46-Y51 AromaticContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CD2 3.55Å; Y46-Y51 HydrophobicContact CD2-CE2 4.06Å; Y46-Y51 HydrophobicContact CD2-CG 4.27Å; Y46-Y51 AromaticContact CE2-CD2 3.95Å; Y46-Y51 HydrophobicContact CE2-CD2 3.95Å; Y46-Y51 HydrophobicContact CE2-CG 4.3Å; T47-Y51 WeakPolarHBondContact O-CD2 3.47Å; Y51-P72 WeakPolarHBondContact O-CD 3.28Å
52	W	98.1	Very high	95.4	Very high	92 Å²	92	59.9 Å²	59.9	35%	0.348	34%	0.335	S	S	.	.			trans	-67.9	135.2	172.2	-70.7	89.8	0	0	0	110.6	E69 I70 F71 S76 Y78	W52-E69 HydrophobicContact CD2-CG 4.33Å; W52-E69 HydrophobicContact CE3-CB 4.05Å; W52-E69 HydrophobicContact CE3-CG 3.53Å; W52-E69 HydrophobicContact CZ3-CG 3.92Å; W52-I70 VanDerWaalsContact CE3-C 3.41Å; W52-F71 AromaticContact CD1-CD2 3.79Å; W52-F71 HydrophobicContact CD2-CB 3.76Å; W52-F71 AromaticContact CD2-CD2 3.92Å; W52-F71 HydrophobicContact CD2-CD2 3.92Å; W52-F71 HydrophobicContact CD2-CG 4.29Å; W52-F71 AromaticContact CE2-CD2 3.79Å; W52-F71 HydrophobicContact CE3-CB 3.67Å; W52-F71 VanDerWaalsContact CE3-N 3.27Å; W52-F71 AromaticContact CG-CD2 3.93Å; W52-F71 HydrophobicContact CG-CD2 3.93Å; W52-F71 HydrophobicContact CH2-CB 3.65Å; W52-F71 HydrophobicContact CZ2-CB 3.73Å; W52-F71 HydrophobicContact CZ2-CD2 4.39Å; W52-F71 HydrophobicContact CZ2-CG 4.23Å; W52-F71 HydrophobicContact CZ3-CB 3.62Å; W52-F71 VanDerWaalsContact CZ3-N 3.33Å; W52-F71 AromaticContact NE1-CD2 3.69Å; W52-S76 WeakPolarHBondContact CZ3-O 3.47Å; W52-Y78 AromaticContact CH2-CD2 3.55Å; W52-Y78 HydrophobicContact CH2-CD2 3.55Å; W52-Y78 AromaticContact CH2-CE2 3.33Å; W52-Y78 HydrophobicContact CH2-CE2 3.33Å; W52-Y78 HydrophobicContact CZ2-CD2 4.33Å; W52-Y78 AromaticContact CZ2-CE2 3.87Å; W52-Y78 HydrophobicContact CZ2-CE2 3.87Å; W52-Y78 AromaticContact CZ3-CD2 3.74Å; W52-Y78 HydrophobicContact CZ3-CD2 3.74Å; W52-Y78 HydrophobicContact CZ3-CE2 4.03Å
53	M	98.3	Very high	95.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.3	168.5	179.8	62.3	60.7	0	0	108.7	L23 Y46 F48 E69 I70 A98 C115 K116	L23-M53 HydrophobicContact CD1-CE 4.47Å; L23-M53 HydrophobicContact CD1-SD 4.48Å; L23-M53 HydrophobicContact CD2-CE 3.79Å; Y46-M53 WeakPolarHBondContact OH-CE 3.43Å; F48-M53 HydrophobicContact CE2-CE 4Å; M53-E69 CarbonylContact O-C 3.55Å; M53-E69 VanDerWaalsContact O-CA 3.23Å; M53-E69 WeakPolarHBondContact O-CA 3.47Å; M53-E69 WeakPolarHBondContact O-CB 3.45Å; M53-I70 HydrophobicContact CB-CG2 4.07Å; M53-I70 PolarHBondContact N-O 2.76Å; M53-I70 PolarHBondContact O-N 2.88Å; M53-A98 HydrophobicContact CB-CB 4.21Å; M53-A98 HydrophobicContact CG-CB 3.58Å; M53-C115 HydrophobicContact SD-CB 3.67Å; M53-K116 VanDerWaalsContact SD-O 3.35Å
54	Q	98.3	Very high	94.9	Very high	71 Å²	71	61.1 Å²	61.1	33%	0.332	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	145.7	-179.4	-53.2	-163.9	-43.4	0	0	111.4	E69 C115 K116	Q54-E69 HydrophobicContact CB-CB 4.38Å; Q54-E69 HydrophobicContact CG-CB 4.02Å; Q54-E69 PolarHBondContact NE2-OE2 3.17Å; Q54-C115 CarbonylContact O-C 3.56Å; Q54-C115 VanDerWaalsContact O-CA 3.28Å; Q54-C115 WeakPolarHBondContact O-CA 3.37Å; Q54-K116 HydrophobicContact CB-CB 4.34Å; Q54-K116 PolarHBondContact N-O 2.62Å; Q54-K116 PolarHBondContact O-N 3.37Å
55	W	98.3	Very high	94.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.6	174	-69.5	88	0	0	0	110.8	L39 C41 I67 G68 L89 A98 M100 L114 C115	L39-W55 HydrophobicContact CB-CH2 4.17Å; L39-W55 HydrophobicContact CB-CZ3 4.1Å; L39-W55 HydrophobicContact CD1-CZ3 4.49Å; C41-W55 HydrophobicContact CB-CH2 3.83Å; C41-W55 HydrophobicContact CB-CZ2 3.96Å; W55-I67 HydrophobicContact CB-CB 4.24Å; W55-I67 HydrophobicContact CB-CD1 4.36Å; W55-I67 WeakPolarHBondContact O-CB 3.17Å; W55-I67 PolarHBondContact O-N 3.09Å; W55-G68 PolarHBondContact N-O 2.86Å; W55-L89 HydrophobicContact CB-CD2 4.46Å; W55-L89 HydrophobicContact CG-CD2 3.97Å; W55-A98 HydrophobicContact CZ2-CB 4.34Å; W55-M100 HydrophobicContact CB-SD 3.99Å; W55-M100 HydrophobicContact CD2-CB 3.7Å; W55-M100 HydrophobicContact CD2-CE 4.23Å; W55-M100 HydrophobicContact CD2-SD 4.16Å; W55-M100 HydrophobicContact CE3-CB 3.87Å; W55-M100 HydrophobicContact CE3-CE 3.6Å; W55-M100 HydrophobicContact CE3-SD 4.14Å; W55-M100 HydrophobicContact CG-CB 4.26Å; W55-M100 HydrophobicContact CG-SD 4.13Å; W55-M100 HydrophobicContact CH2-CB 4.08Å; W55-M100 HydrophobicContact CZ2-CB 3.94Å; W55-M100 HydrophobicContact CZ3-CB 4.06Å; W55-M100 HydrophobicContact CZ3-CE 4.1Å; W55-L114 WeakPolarHBondContact CA-O 3.47Å; W55-C115 HydrophobicContact CD2-CB 4.37Å; W55-C115 HydrophobicContact CE3-CB 4.21Å; W55-C115 HydrophobicContact CH2-CB 4.22Å; W55-C115 HydrophobicContact CZ2-CB 4.33Å; W55-C115 HydrophobicContact CZ3-CB 4.15Å
56	V	97.4	Very high	95	Very high	7 Å²	7	62.5 Å²	62.5	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.9	178.8	-55.9	0	0	0	0	111.5	L64 E65 Y113 L114	V56-L64 HydrophobicContact CG2-CD2 4.39Å; V56-E65 WeakPolarHBondContact CA-O 3.37Å; V56-Y113 WeakPolarHBondContact O-CA 3.02Å; V56-L114 HydrophobicContact CG2-CB 3.79Å; V56-L114 HydrophobicContact CG2-CD1 4.47Å; V56-L114 PolarHBondContact N-O 2.81Å; V56-L114 PolarHBondContact O-N 3.49Å
57	K	95.6	Very high	95.2	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.013	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.7	171.1	-175	-179	-176.1	-176.9	0	109.2	L64 E65 I67 F83 E108 A111 Y113	K57-L64 WeakPolarHBondContact O-CA 3.33Å; K57-E65 HydrophobicContact CB-CB 4.38Å; K57-E65 PolarHBondContact N-O 2.99Å; K57-E65 PolarHBondContact O-N 2.81Å; K57-I67 HydrophobicContact CB-CD1 4.05Å; K57-I67 HydrophobicContact CB-CG1 4.21Å; K57-F83 HydrophobicContact CB-CZ 4.32Å; K57-F83 HydrophobicContact CD-CE1 4.09Å; K57-F83 HydrophobicContact CD-CZ 4.06Å; K57-E108 PolarHBondContact NZ-O 3.22Å; K57-A111 HydrophobicContact CD-CB 4.06Å; K57-A111 HydrophobicContact CG-CB 3.59Å; K57-Y113 HydrophobicContact CB-CD1 4.12Å; K57-Y113 HydrophobicContact CB-CE1 3.86Å; K57-Y113 HydrophobicContact CD-CE1 3.93Å; K57-Y113 WeakPolarHBondContact CE-OH 3.25Å; K57-Y113 HydrophobicContact CG-CD1 4.2Å; K57-Y113 HydrophobicContact CG-CE1 3.68Å
58	Q	94.8	Very high	95.3	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.9	172.4	-173.7	178.7	30.2	0	0	109.2	L64 A111 I112	Q58-L64 HydrophobicContact CB-CD2 3.66Å; Q58-L64 HydrophobicContact CG-CD2 3.79Å; Q58-A111 WeakPolarHBondContact O-CB 3.38Å; Q58-I112 HydrophobicContact CB-CB 4.3Å; Q58-I112 PolarHBondContact N-O 3.48Å; Q58-I112 PolarHBondContact O-N 2.89Å
59	R	91.5	Very high	95.4	Very high	65 Å²	65	57 Å²	57	25%	0.245	32%	0.316	C	S	.	.			trans	-96.6	145.8	167	-61.8	-162.3	-163.3	74.8	-2.5	109.8	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 2.95Å; R59-Q62 HydrophobicContact CB-CB 4.09Å; R59-Q62 HydrophobicContact CB-CG 4.13Å; R59-Q62 PolarHBondContact O-N 3.43Å; R59-E65 IonicContact CZ-OE1 3.61Å; R59-E65 IonicContact NH1-OE1 2.71Å; R59-E65 PolarHBondContact NH1-OE1 2.89Å; R59-E65 IonicContact NH2-OE1 3.73Å; R59-E108 PolarHBondContact NE-O 3.4Å; R59-A111 HydrophobicContact CG-CB 4.13Å
60	P	88.1	Confident	95.4	Very high	117 Å²	117	54.4 Å²	54.4	76%	0.76	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	134.2	170.5	-25.5	34.9	0	0	0	111.5	Q62	P60-Q62 PolarHBondContact O-N 3.43Å
61	G	90.3	Very high	95.5	Very high	92 Å²	92	53.8 Å²	53.8	95%	0.948	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	6.6	-178	0	0	0	0	0	115.7	R59	R59-G61 PolarHBondContact O-N 2.95Å
62	Q	89.3	Confident	95.6	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	26%	0.264	S	S	.	.	S	Bend	trans	-123.7	163.1	176.6	-56.7	-176.7	-3.7	0	0	110.9	R59 P60	R59-Q62 HydrophobicContact CB-CB 4.09Å; R59-Q62 HydrophobicContact CB-CG 4.13Å; R59-Q62 PolarHBondContact O-N 3.43Å; P60-Q62 PolarHBondContact O-N 3.43Å
63	G	90.3	Very high	95.6	Very high	57 Å²	57	45.2 Å²	45.2	59%	0.588	27%	0.27	S	S	*	.			trans	-69.6	178.3	173.8	0	0	0	0	0	113.5
64	L	93.8	Very high	95.6	Very high	87 Å²	87	48.7 Å²	48.7	46%	0.455	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.1	169.2	-60.9	179.8	0	0	0	109.9	V56 K57 Q58	V56-L64 HydrophobicContact CG2-CD2 4.39Å; K57-L64 WeakPolarHBondContact O-CA 3.33Å; Q58-L64 HydrophobicContact CB-CD2 3.66Å; Q58-L64 HydrophobicContact CG-CD2 3.79Å
65	E	95.9	Very high	95.5	Very high	41 Å²	41	47.1 Å²	47.1	19%	0.192	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.2	167.6	-67.4	-167.4	-93.9	0	0	109.1	V56 K57 R59 K82 F83	V56-E65 WeakPolarHBondContact CA-O 3.37Å; K57-E65 HydrophobicContact CB-CB 4.38Å; K57-E65 PolarHBondContact N-O 2.99Å; K57-E65 PolarHBondContact O-N 2.81Å; R59-E65 IonicContact CZ-OE1 3.61Å; R59-E65 IonicContact NH1-OE1 2.71Å; R59-E65 PolarHBondContact NH1-OE1 2.89Å; R59-E65 IonicContact NH2-OE1 3.73Å; E65-K82 IonicContact OE2-NZ 2.79Å; E65-K82 PolarHBondContact OE2-NZ 2.91Å; E65-F83 HydrophobicContact CB-CE2 4.35Å; E65-F83 HydrophobicContact CB-CZ 4.35Å
66	W	97.3	Very high	95.5	Very high	84 Å²	84	49.7 Å²	49.7	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.7	173.5	179	82.8	0	0	0	110.8	G68 E69 N80	W66-G68 VanDerWaalsContact CZ2-CA 3.48Å; W66-G68 PolarHBondContact NE1-O 3.39Å; W66-E69 HydrophobicContact CZ2-CB 4.29Å; W66-E69 HydrophobicContact CZ2-CG 3.89Å; W66-N80 HydrophobicContact CE3-CB 3.74Å; W66-N80 HydrophobicContact CZ3-CB 3.9Å; W66-N80 VanDerWaalsContact O-CB 3.28Å; W66-N80 WeakPolarHBondContact O-CB 2.98Å; W66-N80 PolarHBondContact O-ND2 2.98Å
67	I	97.8	Very high	95.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-46.3	-176.2	-58.9	175.3	0	0	0	110.2	W55 K57 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.24Å; W55-I67 HydrophobicContact CB-CD1 4.36Å; W55-I67 WeakPolarHBondContact O-CB 3.17Å; W55-I67 PolarHBondContact O-N 3.09Å; K57-I67 HydrophobicContact CB-CD1 4.05Å; K57-I67 HydrophobicContact CB-CG1 4.21Å; I67-N80 WeakPolarHBondContact O-CB 3.23Å; I67-N80 PolarHBondContact O-N 3.35Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.38Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CG1-CD1 4.12Å; I67-F83 HydrophobicContact CG1-CD2 4.35Å; I67-F83 HydrophobicContact CG1-CE1 4.01Å; I67-F83 HydrophobicContact CG1-CE2 4.24Å; I67-F83 HydrophobicContact CG1-CG 4.28Å; I67-F83 HydrophobicContact CG1-CZ 4.07Å; I67-F83 HydrophobicContact CG2-CB 3.74Å; I67-F83 HydrophobicContact CG2-CD1 3.95Å; I67-F83 HydrophobicContact CG2-CD2 4.39Å; I67-F83 HydrophobicContact CG2-CG 3.78Å; I67-A87 HydrophobicContact CG2-CB 3.77Å; I67-M100 HydrophobicContact CD1-CE 3.92Å; I67-M100 HydrophobicContact CD1-SD 3.66Å; I67-M100 HydrophobicContact CG2-SD 3.95Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.83Å
68	G	98.3	Very high	95.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	179.6	-171.1	0	0	0	0	0	111.2	W55 W66 Y78	W55-G68 PolarHBondContact N-O 2.86Å; W66-G68 VanDerWaalsContact CZ2-CA 3.48Å; W66-G68 PolarHBondContact NE1-O 3.39Å; G68-Y78 CarbonylContact C-O 3.51Å; G68-Y78 WeakPolarHBondContact CA-O 3.2Å
69	E	98.6	Very high	95.9	Very high	35 Å²	35	57.7 Å²	57.7	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.6	177.4	64.1	-168.3	173.1	0	0	111.5	W52 M53 Q54 W66 T77 Y78	W52-E69 HydrophobicContact CD2-CG 4.33Å; W52-E69 HydrophobicContact CE3-CB 4.05Å; W52-E69 HydrophobicContact CE3-CG 3.53Å; W52-E69 HydrophobicContact CZ3-CG 3.92Å; M53-E69 CarbonylContact O-C 3.55Å; M53-E69 VanDerWaalsContact O-CA 3.23Å; M53-E69 WeakPolarHBondContact O-CA 3.47Å; M53-E69 WeakPolarHBondContact O-CB 3.45Å; Q54-E69 HydrophobicContact CB-CB 4.38Å; Q54-E69 HydrophobicContact CG-CB 4.02Å; Q54-E69 PolarHBondContact NE2-OE2 3.17Å; W66-E69 HydrophobicContact CZ2-CB 4.29Å; W66-E69 HydrophobicContact CZ2-CG 3.89Å; E69-T77 WeakPolarHBondContact O-CA 3.46Å; E69-Y78 HydrophobicContact CG-CD2 4.36Å; E69-Y78 PolarHBondContact N-O 3.1Å; E69-Y78 PolarHBondContact O-N 2.93Å
70	I	98.7	Very high	96.1	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.8	178	-174	159.1	0	0	0	110.4	W52 M53 P72 S76 T77 L89 V91	W52-I70 VanDerWaalsContact CE3-C 3.41Å; M53-I70 HydrophobicContact CB-CG2 4.07Å; M53-I70 PolarHBondContact N-O 2.76Å; M53-I70 PolarHBondContact O-N 2.88Å; I70-P72 WeakPolarHBondContact O-CD 3.47Å; I70-S76 WeakPolarHBondContact CA-O 3.01Å; I70-T77 HydrophobicContact CB-CG2 3.88Å; I70-T77 HydrophobicContact CD1-CG2 3.59Å; I70-T77 HydrophobicContact CG1-CG2 3.67Å; I70-L89 HydrophobicContact CB-CB 4.14Å; I70-L89 HydrophobicContact CB-CD1 4.37Å; I70-L89 HydrophobicContact CD1-CB 4.2Å; I70-L89 HydrophobicContact CG2-CB 4.37Å; I70-V91 HydrophobicContact CD1-CB 4.5Å; I70-V91 HydrophobicContact CD1-CG1 3.89Å; I70-V91 HydrophobicContact CD1-CG2 4.16Å; I70-V91 HydrophobicContact CG1-CG1 4.01Å; I70-V91 HydrophobicContact CG2-CG1 3.86Å
71	F	98.6	Very high	96.5	Very high	53 Å²	53	57.3 Å²	57.3	23%	0.232	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.6	173.6	-169.1	-111	0	0	0	109.5	T49 W52 G73 S74 G75 S76	T49-F71 WeakPolarHBondContact O-CZ 3.3Å; W52-F71 AromaticContact CD1-CD2 3.79Å; W52-F71 HydrophobicContact CD2-CB 3.76Å; W52-F71 AromaticContact CD2-CD2 3.92Å; W52-F71 HydrophobicContact CD2-CD2 3.92Å; W52-F71 HydrophobicContact CD2-CG 4.29Å; W52-F71 AromaticContact CE2-CD2 3.79Å; W52-F71 HydrophobicContact CE3-CB 3.67Å; W52-F71 VanDerWaalsContact CE3-N 3.27Å; W52-F71 AromaticContact CG-CD2 3.93Å; W52-F71 HydrophobicContact CG-CD2 3.93Å; W52-F71 HydrophobicContact CH2-CB 3.65Å; W52-F71 HydrophobicContact CZ2-CB 3.73Å; W52-F71 HydrophobicContact CZ2-CD2 4.39Å; W52-F71 HydrophobicContact CZ2-CG 4.23Å; W52-F71 HydrophobicContact CZ3-CB 3.62Å; W52-F71 VanDerWaalsContact CZ3-N 3.33Å; W52-F71 AromaticContact NE1-CD2 3.69Å; F71-G73 PolarHBondContact O-N 2.95Å; F71-S74 WeakPolarHBondContact CD1-OG 3.27Å; F71-S74 PolarHBondContact O-N 2.97Å; F71-G75 WeakPolarHBondContact O-CA 3.47Å; F71-G75 PolarHBondContact O-N 2.99Å; F71-S76 PolarHBondContact N-O 2.82Å
72	P	98.3	Very high	96.7	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.032	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.7	-171.2	-18.9	32.8	0	0	0	113.6	F48 Y51 I70 S74 V91 T93	F48-P72 HydrophobicContact CD1-CB 3.83Å; F48-P72 HydrophobicContact CD1-CG 4.23Å; F48-P72 HydrophobicContact CD2-CG 4.16Å; F48-P72 HydrophobicContact CE1-CB 3.48Å; F48-P72 VanDerWaalsContact CE1-CB 3.48Å; F48-P72 HydrophobicContact CE1-CG 3.85Å; F48-P72 HydrophobicContact CE2-CB 4.33Å; F48-P72 HydrophobicContact CE2-CG 3.75Å; F48-P72 HydrophobicContact CG-CB 4.41Å; F48-P72 HydrophobicContact CG-CG 4.4Å; F48-P72 HydrophobicContact CZ-CB 3.77Å; F48-P72 HydrophobicContact CZ-CG 3.59Å; F48-P72 WeakPolarHBondContact O-CG 3.3Å; Y51-P72 WeakPolarHBondContact O-CD 3.28Å; I70-P72 WeakPolarHBondContact O-CD 3.47Å; P72-S74 VanDerWaalsContact C-N 3.34Å; P72-S74 PolarHBondContact O-N 3.47Å; P72-V91 HydrophobicContact CB-CB 4.31Å; P72-V91 HydrophobicContact CB-CG1 3.9Å; P72-V91 HydrophobicContact CB-CG2 4.45Å; P72-V91 HydrophobicContact CG-CG1 4.01Å; P72-T93 HydrophobicContact CB-CG2 4.32Å; P72-T93 VanDerWaalsContact O-CG2 3.25Å; P72-T93 WeakPolarHBondContact O-CG2 3.46Å
73	G	97.9	Very high	97	Very high	47 Å²	47	55 Å²	55	49%	0.485	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.7	176.7	0	0	0	0	0	115.3	T49 F71	T49-G73 WeakPolarHBondContact O-CA 3.34Å; T49-G73 PolarHBondContact O-N 2.94Å; F71-G73 PolarHBondContact O-N 2.95Å
74	S	97.9	Very high	97.1	Very high	73 Å²	73	57.9 Å²	57.9	51%	0.51	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-14.7	-179.7	66.7	0	0	0	0	114.6	F71 P72 S76	F71-S74 WeakPolarHBondContact CD1-OG 3.27Å; F71-S74 PolarHBondContact O-N 2.97Å; P72-S74 VanDerWaalsContact C-N 3.34Å; P72-S74 PolarHBondContact O-N 3.47Å; S74-S76 PolarHBondContact O-N 2.03Å; S74-S76 VanDerWaalsContact OG-CB 3.25Å; S74-S76 WeakPolarHBondContact OG-CB 3.48Å; S74-S76 PolarHBondContact OG-N 2.85Å; S74-S76 VanDerWaalsContact OG-N 3.12Å; S74-S76 PolarHBondContact OG-OG 2.82Å
75	G	97.3	Very high	97	Very high	38 Å²	38	57.4 Å²	57.4	39%	0.392	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	6.3	-168.7	0	0	0	0	0	114.2	F71	F71-G75 WeakPolarHBondContact O-CA 3.47Å; F71-G75 PolarHBondContact O-N 2.99Å
76	S	98.3	Very high	97	Very high	55 Å²	55	60.2 Å²	60.2	39%	0.385	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.7	176	-60.9	0	0	0	0	110.6	W52 I70 F71 S74	W52-S76 WeakPolarHBondContact CZ3-O 3.47Å; I70-S76 WeakPolarHBondContact CA-O 3.01Å; F71-S76 PolarHBondContact N-O 2.82Å; S74-S76 PolarHBondContact O-N 2.03Å; S74-S76 VanDerWaalsContact OG-CB 3.25Å; S74-S76 WeakPolarHBondContact OG-CB 3.48Å; S74-S76 PolarHBondContact OG-N 2.85Å; S74-S76 VanDerWaalsContact OG-N 3.12Å; S74-S76 PolarHBondContact OG-OG 2.82Å
77	T	98.4	Very high	97	Very high	53 Å²	53	56.4 Å²	56.4	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.4	-178.2	46.9	0	0	0	0	111.9	E69 I70 Y79 L89	E69-T77 WeakPolarHBondContact O-CA 3.46Å; I70-T77 HydrophobicContact CB-CG2 3.88Å; I70-T77 HydrophobicContact CD1-CG2 3.59Å; I70-T77 HydrophobicContact CG1-CG2 3.67Å; T77-Y79 HydrophobicContact CG2-CE2 4.4Å; T77-L89 HydrophobicContact CG2-CB 4.06Å
78	Y	98.3	Very high	97	Very high	136 Å²	136	59.4 Å²	59.4	53%	0.533	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146	166.9	-63.7	-66	0	0	0	109.6	W52 G68 E69	W52-Y78 AromaticContact CH2-CD2 3.55Å; W52-Y78 HydrophobicContact CH2-CD2 3.55Å; W52-Y78 AromaticContact CH2-CE2 3.33Å; W52-Y78 HydrophobicContact CH2-CE2 3.33Å; W52-Y78 HydrophobicContact CZ2-CD2 4.33Å; W52-Y78 AromaticContact CZ2-CE2 3.87Å; W52-Y78 HydrophobicContact CZ2-CE2 3.87Å; W52-Y78 AromaticContact CZ3-CD2 3.74Å; W52-Y78 HydrophobicContact CZ3-CD2 3.74Å; W52-Y78 HydrophobicContact CZ3-CE2 4.03Å; G68-Y78 CarbonylContact C-O 3.51Å; G68-Y78 WeakPolarHBondContact CA-O 3.2Å; E69-Y78 HydrophobicContact CG-CD2 4.36Å; E69-Y78 PolarHBondContact N-O 3.1Å; E69-Y78 PolarHBondContact O-N 2.93Å
79	Y	98.4	Very high	97	Very high	62 Å²	62	59.8 Å²	59.8	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.6	-176.9	-67.5	-90.9	0	0	0	110.5	T77 A87 L89	T77-Y79 HydrophobicContact CG2-CE2 4.4Å; Y79-A87 HydrophobicContact CE1-CB 4.45Å; Y79-A87 VanDerWaalsContact CE1-O 3.3Å; Y79-A87 WeakPolarHBondContact CE1-O 3.39Å; Y79-L89 HydrophobicContact CE1-CD1 4.24Å; Y79-L89 HydrophobicContact CE1-CG 3.82Å; Y79-L89 PolarHBondContact OH-N 2.96Å
80	N	97.4	Very high	97	Very high	42 Å²	42	61 Å²	61	23%	0.225	34%	0.344	C	S	.	.			trans	-70.3	130.7	157.5	-176.8	-28.1	0	0	0	108.5	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.74Å; W66-N80 HydrophobicContact CZ3-CB 3.9Å; W66-N80 VanDerWaalsContact O-CB 3.28Å; W66-N80 WeakPolarHBondContact O-CB 2.98Å; W66-N80 PolarHBondContact O-ND2 2.98Å; I67-N80 WeakPolarHBondContact O-CB 3.23Å; I67-N80 PolarHBondContact O-N 3.35Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 WeakPolarHBondContact OD1-CB 3.44Å; N80-K82 PolarHBondContact OD1-N 2.9Å; N80-F83 HydrophobicContact CB-CD2 4Å; N80-F83 PolarHBondContact O-N 2.94Å; N80-K84 PolarHBondContact O-N 2.9Å; N80-K84 VanDerWaalsContact O-N 3.15Å
81	E	96.4	Very high	97	Very high	131 Å²	131	62.7 Å²	62.7	61%	0.612	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.3	-179.5	-65.6	-62.7	136	0	0	113.1	F83 K84	E81-F83 PolarHBondContact O-N 2.92Å; E81-K84 IonicContact OE1-NZ 2.66Å; E81-K84 PolarHBondContact OE1-NZ 3.04Å; E81-K84 WeakPolarHBondContact OE2-CD 3.49Å; E81-K84 IonicContact OE2-NZ 2.83Å; E81-K84 PolarHBondContact OE2-NZ 3Å
82	K	93.7	Very high	97	Very high	140 Å²	140	62.6 Å²	62.6	61%	0.609	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.5	173	-72.9	179.4	169.6	179.3	0	114.5	E65 N80	E65-K82 IonicContact OE2-NZ 2.79Å; E65-K82 PolarHBondContact OE2-NZ 2.91Å; N80-K82 PolarHBondContact O-N 2.9Å; N80-K82 WeakPolarHBondContact OD1-CB 3.44Å; N80-K82 PolarHBondContact OD1-N 2.9Å
83	F	94.7	Very high	96.9	Very high	13 Å²	13	65.8 Å²	65.8	6%	0.057	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-10.7	-172.7	-67.1	-87.3	0	0	0	113.2	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.32Å; K57-F83 HydrophobicContact CD-CE1 4.09Å; K57-F83 HydrophobicContact CD-CZ 4.06Å; E65-F83 HydrophobicContact CB-CE2 4.35Å; E65-F83 HydrophobicContact CB-CZ 4.35Å; I67-F83 HydrophobicContact CB-CD1 4.46Å; I67-F83 HydrophobicContact CB-CD2 4.38Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CG1-CD1 4.12Å; I67-F83 HydrophobicContact CG1-CD2 4.35Å; I67-F83 HydrophobicContact CG1-CE1 4.01Å; I67-F83 HydrophobicContact CG1-CE2 4.24Å; I67-F83 HydrophobicContact CG1-CG 4.28Å; I67-F83 HydrophobicContact CG1-CZ 4.07Å; I67-F83 HydrophobicContact CG2-CB 3.74Å; I67-F83 HydrophobicContact CG2-CD1 3.95Å; I67-F83 HydrophobicContact CG2-CD2 4.39Å; I67-F83 HydrophobicContact CG2-CG 3.78Å; N80-F83 HydrophobicContact CB-CD2 4Å; N80-F83 PolarHBondContact O-N 2.94Å; E81-F83 PolarHBondContact O-N 2.92Å; F83-G85 PolarHBondContact O-N 2.86Å; F83-K86 WeakPolarHBondContact O-CA 3.25Å; F83-K86 PolarHBondContact O-N 2.99Å; F83-A87 HydrophobicContact CB-CB 4.34Å; F83-A87 PolarHBondContact O-N 2.99Å
84	K	94	Very high	96.9	Very high	117 Å²	117	68.7 Å²	68.7	51%	0.509	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-54.5	127.1	173.9	-162	174.1	-174.1	174.3	0	110.5	N80 E81 K86	N80-K84 PolarHBondContact O-N 2.9Å; N80-K84 VanDerWaalsContact O-N 3.15Å; E81-K84 IonicContact OE1-NZ 2.66Å; E81-K84 PolarHBondContact OE1-NZ 3.04Å; E81-K84 WeakPolarHBondContact OE2-CD 3.49Å; E81-K84 IonicContact OE2-NZ 2.83Å; E81-K84 PolarHBondContact OE2-NZ 3Å; K84-K86 PolarHBondContact O-N 3.27Å
85	G	91.8	Very high	96.9	Very high	76 Å²	76	67 Å²	67	78%	0.784	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-13.6	-174.4	0	0	0	0	0	115.8	F83	F83-G85 PolarHBondContact O-N 2.86Å
86	K	94.4	Very high	96.9	Very high	101 Å²	101	67 Å²	67	44%	0.439	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-35.9	168.1	-69.2	-162.9	176.6	-168.8	0	112.7	F83 K84 L102 S103	F83-K86 WeakPolarHBondContact O-CA 3.25Å; F83-K86 PolarHBondContact O-N 2.99Å; K84-K86 PolarHBondContact O-N 3.27Å; K86-L102 WeakPolarHBondContact O-CA 3.49Å; K86-S103 PolarHBondContact O-N 3.2Å
87	A	97	Very high	96.9	Very high	3 Å²	3	64.9 Å²	64.9	3%	0.025	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.7	177.1	0	0	0	0	0	110.7	I67 Y79 F83 M100 Q101 L102	I67-A87 HydrophobicContact CG2-CB 3.77Å; Y79-A87 HydrophobicContact CE1-CB 4.45Å; Y79-A87 VanDerWaalsContact CE1-O 3.3Å; Y79-A87 WeakPolarHBondContact CE1-O 3.39Å; F83-A87 HydrophobicContact CB-CB 4.34Å; F83-A87 PolarHBondContact O-N 2.99Å; A87-M100 HydrophobicContact CB-CG 4.46Å; A87-M100 HydrophobicContact CB-SD 4.42Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.31Å; A87-L102 HydrophobicContact CB-CD2 3.76Å
88	T	98.3	Very high	96.9	Very high	63 Å²	63	62.3 Å²	62.3	39%	0.387	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.6	170.5	-54.9	0	0	0	0	108.5	T90 M100 Q101	T88-T90 HydrophobicContact CG2-CG2 4.36Å; T88-M100 WeakPolarHBondContact O-CA 3.26Å; T88-Q101 PolarHBondContact N-O 3.14Å; T88-Q101 PolarHBondContact O-N 2.94Å
89	L	98.6	Very high	97	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133.1	177.3	-54.3	-175.2	0	0	0	110.3	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CB-CD2 4.46Å; W55-L89 HydrophobicContact CG-CD2 3.97Å; I70-L89 HydrophobicContact CB-CB 4.14Å; I70-L89 HydrophobicContact CB-CD1 4.37Å; I70-L89 HydrophobicContact CD1-CB 4.2Å; I70-L89 HydrophobicContact CG2-CB 4.37Å; T77-L89 HydrophobicContact CG2-CB 4.06Å; Y79-L89 HydrophobicContact CE1-CD1 4.24Å; Y79-L89 HydrophobicContact CE1-CG 3.82Å; Y79-L89 PolarHBondContact OH-N 2.96Å; L89-Y99 WeakPolarHBondContact CA-O 3.34Å; L89-M100 HydrophobicContact CD2-CB 3.75Å; L89-M100 HydrophobicContact CD2-CG 3.72Å; L89-M100 HydrophobicContact CD2-SD 4.19Å
90	T	98.6	Very high	97	Very high	60 Å²	60	55.3 Å²	55.3	37%	0.368	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	164.8	173.6	60.8	0	0	0	0	111.1	T88 Y99	T88-T90 HydrophobicContact CG2-CG2 4.36Å; T90-Y99 PolarHBondContact N-O 3.1Å; T90-Y99 PolarHBondContact O-N 3.27Å
91	V	98.4	Very high	97	Very high	40 Å²	40	57.1 Å²	57.1	24%	0.242	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.6	178.1	-73.8	0	0	0	0	110.7	F48 I70 P72 A98	F48-V91 HydrophobicContact CE1-CG1 4.46Å; F48-V91 HydrophobicContact CZ-CG1 4.09Å; I70-V91 HydrophobicContact CD1-CB 4.5Å; I70-V91 HydrophobicContact CD1-CG1 3.89Å; I70-V91 HydrophobicContact CD1-CG2 4.16Å; I70-V91 HydrophobicContact CG1-CG1 4.01Å; I70-V91 HydrophobicContact CG2-CG1 3.86Å; P72-V91 HydrophobicContact CB-CB 4.31Å; P72-V91 HydrophobicContact CB-CG1 3.9Å; P72-V91 HydrophobicContact CB-CG2 4.45Å; P72-V91 HydrophobicContact CG-CG1 4.01Å; V91-A98 HydrophobicContact CG1-CB 4.14Å
92	D	98.2	Very high	97	Very high	52 Å²	52	51.1 Å²	51.1	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	106	159.7	170	18.4	0	0	0	107.7	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 WeakPolarHBondContact OD1-CB 3.37Å; D92-S94 PolarHBondContact OD1-N 2.91Å; D92-S94 PolarHBondContact OD1-OG 2.85Å; D92-S94 PolarHBondContact OD2-OG 3Å; D92-S95 VanDerWaalsContact CG-OG 3.26Å; D92-S95 PolarHBondContact OD1-N 2.8Å; D92-S95 WeakPolarHBondContact OD2-CB 3.41Å; D92-S95 PolarHBondContact OD2-N 2.85Å; D92-S95 PolarHBondContact OD2-OG 3.03Å; D92-S96 PolarHBondContact O-N 2.77Å; D92-T97 PolarHBondContact N-O 3.02Å; D92-T97 PolarHBondContact O-N 3.02Å; D92-Y99 HydrophobicContact CB-CE2 4Å
93	T	97.6	Very high	97	Very high	72 Å²	72	46.1 Å²	46.1	44%	0.442	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.9	-180	52	0	0	0	0	112.6	T49 P72 S96	T49-T93 HydrophobicContact CG2-CG2 3.8Å; P72-T93 HydrophobicContact CB-CG2 4.32Å; P72-T93 VanDerWaalsContact O-CG2 3.25Å; P72-T93 WeakPolarHBondContact O-CG2 3.46Å; T93-S96 PolarHBondContact O-N 2.94Å
94	S	97.3	Very high	96.9	Very high	107 Å²	107	49.5 Å²	49.5	75%	0.748	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.6	179.6	76	0	0	0	0	112.4	D92	D92-S94 VanDerWaalsContact C-N 3.28Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 WeakPolarHBondContact OD1-CB 3.37Å; D92-S94 PolarHBondContact OD1-N 2.91Å; D92-S94 PolarHBondContact OD1-OG 2.85Å; D92-S94 PolarHBondContact OD2-OG 3Å
95	S	97.8	Very high	96.8	Very high	37 Å²	37	44.6 Å²	44.6	26%	0.259	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2	174.6	68.5	0	0	0	0	114.2	K42 D92 T97	K42-S95 WeakPolarHBondContact CE-O 3.34Å; D92-S95 VanDerWaalsContact CG-OG 3.26Å; D92-S95 PolarHBondContact OD1-N 2.8Å; D92-S95 WeakPolarHBondContact OD2-CB 3.41Å; D92-S95 PolarHBondContact OD2-N 2.85Å; D92-S95 PolarHBondContact OD2-OG 3.03Å; S95-T97 VanDerWaalsContact C-N 3.31Å; S95-T97 PolarHBondContact O-OG1 2.71Å; S95-T97 WeakPolarHBondContact OG-CB 3.26Å; S95-T97 PolarHBondContact OG-OG1 2.84Å
96	S	98.1	Very high	96.8	Very high	39 Å²	39	44.2 Å²	44.2	27%	0.273	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.6	-169.3	-62.6	0	0	0	0	113	A43 D92 T93	A43-S96 PolarHBondContact N-O 2.66Å; D92-S96 PolarHBondContact O-N 2.77Å; T93-S96 PolarHBondContact O-N 2.94Å
97	T	98.6	Very high	96.5	Very high	10 Å²	10	43.6 Å²	43.6	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	-176.7	-48.7	0	0	0	0	111.1	C41 K42 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.37Å; K42-T97 HydrophobicContact CB-CG2 4.44Å; D92-T97 PolarHBondContact N-O 3.02Å; D92-T97 PolarHBondContact O-N 3.02Å; S95-T97 VanDerWaalsContact C-N 3.31Å; S95-T97 PolarHBondContact O-OG1 2.71Å; S95-T97 WeakPolarHBondContact OG-CB 3.26Å; S95-T97 PolarHBondContact OG-OG1 2.84Å; T97-Y99 HydrophobicContact CG2-CD1 4.3Å; T97-Y99 HydrophobicContact CG2-CD2 4.5Å; T97-Y99 HydrophobicContact CG2-CE1 3.68Å; T97-Y99 HydrophobicContact CG2-CE2 3.89Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.42Å
98	A	98.6	Very high	96	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	152.7	165.1	0	0	0	0	0	110.6	S40 C41 F48 M53 W55 V91	S40-A98 CarbonylContact C-O 3.57Å; S40-A98 WeakPolarHBondContact CA-O 3.13Å; C41-A98 PolarHBondContact N-O 2.83Å; C41-A98 PolarHBondContact O-N 2.96Å; F48-A98 HydrophobicContact CE2-CB 4.43Å; F48-A98 HydrophobicContact CZ-CB 4.15Å; M53-A98 HydrophobicContact CB-CB 4.21Å; M53-A98 HydrophobicContact CG-CB 3.58Å; W55-A98 HydrophobicContact CZ2-CB 4.34Å; V91-A98 HydrophobicContact CG1-CB 4.14Å
99	Y	98.6	Very high	95.5	Very high	50 Å²	50	48.4 Å²	48.4	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.6	177.6	-55.1	-87	0	0	0	111.2	K38 L39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.48Å; K38-Y99 VanDerWaalsContact CE-CD1 3.49Å; K38-Y99 VanDerWaalsContact CE-CG 3.5Å; L39-Y99 VanDerWaalsContact O-CA 3.25Å; L39-Y99 WeakPolarHBondContact O-CA 3.39Å; L89-Y99 WeakPolarHBondContact CA-O 3.34Å; T90-Y99 PolarHBondContact N-O 3.1Å; T90-Y99 PolarHBondContact O-N 3.27Å; D92-Y99 HydrophobicContact CB-CE2 4Å; T97-Y99 HydrophobicContact CG2-CD1 4.3Å; T97-Y99 HydrophobicContact CG2-CD2 4.5Å; T97-Y99 HydrophobicContact CG2-CE1 3.68Å; T97-Y99 HydrophobicContact CG2-CE2 3.89Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.42Å
100	M	98.2	Very high	95.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.3	165.5	176.2	176.1	65.1	0	0	108.6	L39 W55 I67 A87 T88 L89 L102 Y113	L39-M100 HydrophobicContact CD1-CE 3.82Å; L39-M100 PolarHBondContact N-O 2.8Å; L39-M100 PolarHBondContact O-N 2.86Å; W55-M100 HydrophobicContact CB-SD 3.99Å; W55-M100 HydrophobicContact CD2-CB 3.7Å; W55-M100 HydrophobicContact CD2-CE 4.23Å; W55-M100 HydrophobicContact CD2-SD 4.16Å; W55-M100 HydrophobicContact CE3-CB 3.87Å; W55-M100 HydrophobicContact CE3-CE 3.6Å; W55-M100 HydrophobicContact CE3-SD 4.14Å; W55-M100 HydrophobicContact CG-CB 4.26Å; W55-M100 HydrophobicContact CG-SD 4.13Å; W55-M100 HydrophobicContact CH2-CB 4.08Å; W55-M100 HydrophobicContact CZ2-CB 3.94Å; W55-M100 HydrophobicContact CZ3-CB 4.06Å; W55-M100 HydrophobicContact CZ3-CE 4.1Å; I67-M100 HydrophobicContact CD1-CE 3.92Å; I67-M100 HydrophobicContact CD1-SD 3.66Å; I67-M100 HydrophobicContact CG2-SD 3.95Å; A87-M100 HydrophobicContact CB-CG 4.46Å; A87-M100 HydrophobicContact CB-SD 4.42Å; T88-M100 WeakPolarHBondContact O-CA 3.26Å; L89-M100 HydrophobicContact CD2-CB 3.75Å; L89-M100 HydrophobicContact CD2-CG 3.72Å; L89-M100 HydrophobicContact CD2-SD 4.19Å; M100-L102 HydrophobicContact CE-CD1 4.02Å; M100-L102 HydrophobicContact CE-CD2 4.2Å; M100-L102 HydrophobicContact CE-CG 4.12Å; M100-L102 HydrophobicContact CG-CD2 4.12Å; M100-L102 HydrophobicContact CG-CG 4.23Å; M100-L102 HydrophobicContact SD-CD2 3.84Å; M100-L102 HydrophobicContact SD-CG 4.29Å; M100-Y113 HydrophobicContact CE-CD1 3.65Å; M100-Y113 HydrophobicContact CE-CE1 4.38Å; M100-Y113 HydrophobicContact CE-CG 4.11Å
101	Q	97.7	Very high	94.9	Very high	81 Å²	81	51.2 Å²	51.2	38%	0.379	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.7	166.7	-170.4	174.1	17	0	0	108.9	V37 K38 A87 T88	V37-Q101 CarbonylContact O-C 3.59Å; V37-Q101 VanDerWaalsContact O-CA 3.31Å; V37-Q101 WeakPolarHBondContact O-CA 3.44Å; K38-Q101 HydrophobicContact CG-CB 4.44Å; A87-Q101 CarbonylContact C-O 3.55Å; A87-Q101 WeakPolarHBondContact CA-O 3.31Å; T88-Q101 PolarHBondContact N-O 3.14Å; T88-Q101 PolarHBondContact O-N 2.94Å
102	L	96.1	Very high	94.7	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.1	169.3	-58.9	167.5	0	0	0	108.8	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.51Å; S36-L102 WeakPolarHBondContact CA-O 3.43Å; S36-L102 VanDerWaalsContact CB-O 3.26Å; S36-L102 WeakPolarHBondContact CB-O 3.43Å; V37-L102 HydrophobicContact CG1-CB 4.12Å; V37-L102 HydrophobicContact CG1-CD1 4.24Å; V37-L102 HydrophobicContact CG1-CG 4.5Å; V37-L102 PolarHBondContact N-O 3.06Å; V37-L102 PolarHBondContact O-N 3.05Å; K86-L102 WeakPolarHBondContact O-CA 3.49Å; A87-L102 HydrophobicContact CB-CD2 3.76Å; M100-L102 HydrophobicContact CE-CD1 4.02Å; M100-L102 HydrophobicContact CE-CD2 4.2Å; M100-L102 HydrophobicContact CE-CG 4.12Å; M100-L102 HydrophobicContact CG-CD2 4.12Å; M100-L102 HydrophobicContact CG-CG 4.23Å; M100-L102 HydrophobicContact SD-CD2 3.84Å; M100-L102 HydrophobicContact SD-CG 4.29Å; L102-L105 HydrophobicContact CB-CD1 4.5Å; L102-L105 HydrophobicContact CB-CD2 3.81Å; L102-L105 HydrophobicContact CB-CG 4.39Å; L102-L105 HydrophobicContact CD1-CD2 4.27Å; L102-Y113 HydrophobicContact CD1-CD1 3.98Å; L102-Y113 HydrophobicContact CD1-CD2 4.25Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 3.85Å; L102-Y113 HydrophobicContact CD1-CG 4.29Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.46Å
103	S	94.3	Very high	94.6	Very high	36 Å²	36	52.4 Å²	52.4	25%	0.252	32%	0.32	S	S	.	.			trans	-112.9	153.1	-176.4	-67.9	0	0	0	0	113.3	S36 K86 L105	S36-S103 WeakPolarHBondContact OG-CA 3.44Å; S36-S103 PolarHBondContact OG-OG 2.86Å; K86-S103 PolarHBondContact O-N 3.2Å; S103-L105 PolarHBondContact O-N 3.31Å
104	S	92.3	Very high	94.5	Very high	84 Å²	84	51.5 Å²	51.5	59%	0.587	31%	0.312	S	S	*	.	S	Bend	trans	54.1	50	174.3	-53.4	0	0	0	0	113.2	A35	A35-S104 PolarHBondContact O-N 3.18Å
105	L	92.4	Very high	94.5	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.073	28%	0.28	C	S	.	.			trans	-67.4	135.3	-172.1	-68.9	165	0	0	0	112.4	V31 P33 G34 A35 V37 L102 S103 N109	V31-L105 HydrophobicContact CG2-CD1 3.72Å; P33-L105 CarbonylContact C-O 3.45Å; P33-L105 WeakPolarHBondContact CA-O 3.34Å; G34-L105 PolarHBondContact N-O 2.81Å; A35-L105 WeakPolarHBondContact O-CB 3.33Å; A35-L105 PolarHBondContact O-N 3.49Å; V37-L105 HydrophobicContact CB-CD1 3.85Å; V37-L105 HydrophobicContact CG1-CD1 3.78Å; L102-L105 HydrophobicContact CB-CD1 4.5Å; L102-L105 HydrophobicContact CB-CD2 3.81Å; L102-L105 HydrophobicContact CB-CG 4.39Å; L102-L105 HydrophobicContact CD1-CD2 4.27Å; S103-L105 PolarHBondContact O-N 3.31Å; L105-N109 HydrophobicContact CB-CB 4.43Å; L105-N109 HydrophobicContact CD2-CB 3.5Å
106	T	91.4	Very high	94.3	Very high	67 Å²	67	51.1 Å²	51.1	41%	0.411	29%	0.293	S	S	.	.			trans	-112.7	174.9	172	74.3	0	0	0	0	110.8	E108 N109	T106-E108 PolarHBondContact O-N 3.38Å; T106-E108 PolarHBondContact OG1-N 2.84Å; T106-N109 PolarHBondContact N-OD1 3.18Å; T106-N109 VanDerWaalsContact O-CB 3.3Å; T106-N109 WeakPolarHBondContact O-CB 3.25Å; T106-N109 PolarHBondContact O-N 3.46Å; T106-N109 PolarHBondContact OG1-OD1 3.48Å
107	A	88.1	Confident	94.1	Very high	89 Å²	89	51.7 Å²	51.7	74%	0.736	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.2	-30.9	175.5	0	0	0	0	0	113	N109 S110	A107-N109 PolarHBondContact O-N 2.75Å; A107-S110 WeakPolarHBondContact O-CB 3.4Å; A107-S110 PolarHBondContact O-N 3.12Å
108	E	86.3	Confident	93.8	Very high	146 Å²	146	53.9 Å²	53.9	68%	0.682	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-68.9	-15.7	176.6	-54.1	178.1	165.9	0	0	113.8	K57 R59 T106	K57-E108 PolarHBondContact NZ-O 3.22Å; R59-E108 PolarHBondContact NE-O 3.4Å; T106-E108 PolarHBondContact O-N 3.38Å; T106-E108 PolarHBondContact OG1-N 2.84Å
109	N	88.4	Confident	93.6	Very high	20 Å²	20	56.9 Å²	56.9	11%	0.107	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-82.6	-11.1	171.8	-65.5	105.5	0	0	0	113	L105 T106 A107 A111 Y113	L105-N109 HydrophobicContact CB-CB 4.43Å; L105-N109 HydrophobicContact CD2-CB 3.5Å; T106-N109 PolarHBondContact N-OD1 3.18Å; T106-N109 VanDerWaalsContact O-CB 3.3Å; T106-N109 WeakPolarHBondContact O-CB 3.25Å; T106-N109 PolarHBondContact O-N 3.46Å; T106-N109 PolarHBondContact OG1-OD1 3.48Å; A107-N109 PolarHBondContact O-N 2.75Å; N109-A111 PolarHBondContact O-N 3.49Å; N109-A111 VanDerWaalsContact O-N 3.11Å; N109-Y113 WeakPolarHBondContact O-CE2 3.48Å; N109-Y113 PolarHBondContact O-OH 2.92Å; N109-Y113 VanDerWaalsContact O-OH 3.05Å
110	S	90.9	Very high	93.3	Very high	98 Å²	98	57.3 Å²	57.3	69%	0.685	33%	0.331	S	S	*	.			trans	-59.6	115.7	172.6	-169.7	0	0	0	0	110.5	A107	A107-S110 WeakPolarHBondContact O-CB 3.4Å; A107-S110 PolarHBondContact O-N 3.12Å
111	A	93.4	Very high	93	Very high	29 Å²	29	60.9 Å²	60.9	24%	0.24	35%	0.352	C	S	.	.	S	Bend	trans	-170.3	166.5	-172.2	0	0	0	0	0	110.7	K57 Q58 R59 N109 Y113	K57-A111 HydrophobicContact CD-CB 4.06Å; K57-A111 HydrophobicContact CG-CB 3.59Å; Q58-A111 WeakPolarHBondContact O-CB 3.38Å; R59-A111 HydrophobicContact CG-CB 4.13Å; N109-A111 PolarHBondContact O-N 3.49Å; N109-A111 VanDerWaalsContact O-N 3.11Å; A111-Y113 HydrophobicContact CB-CD2 4.38Å; A111-Y113 HydrophobicContact CB-CE2 3.88Å
112	I	94.4	Very high	92.6	Very high	90 Å²	90	59.5 Å²	59.5	46%	0.462	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.8	163.2	-58.2	170.5	0	0	0	107.5	Q58 L114	Q58-I112 HydrophobicContact CB-CB 4.3Å; Q58-I112 PolarHBondContact N-O 3.48Å; Q58-I112 PolarHBondContact O-N 2.89Å; I112-L114 HydrophobicContact CG2-CD1 4.48Å; I112-L114 HydrophobicContact CG2-CD2 3.68Å; I112-L114 HydrophobicContact CG2-CG 3.92Å
113	Y	95.6	Very high	92.4	Very high	28 Å²	28	63.5 Å²	63.5	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.2	177.8	-72.2	-83.2	0	0	0	108.7	Q25 L39 V56 K57 I67 M100 L102 N109 A111	Q25-Y113 PolarHBondContact NE2-O 3.05Å; L39-Y113 VanDerWaalsContact CD1-CB 3.43Å; L39-Y113 HydrophobicContact CD1-CD2 4.38Å; L39-Y113 HydrophobicContact CD1-CG 4Å; V56-Y113 WeakPolarHBondContact O-CA 3.02Å; K57-Y113 HydrophobicContact CB-CD1 4.12Å; K57-Y113 HydrophobicContact CB-CE1 3.86Å; K57-Y113 HydrophobicContact CD-CE1 3.93Å; K57-Y113 WeakPolarHBondContact CE-OH 3.25Å; K57-Y113 HydrophobicContact CG-CD1 4.2Å; K57-Y113 HydrophobicContact CG-CE1 3.68Å; I67-Y113 HydrophobicContact CD1-CD1 3.67Å; I67-Y113 HydrophobicContact CD1-CE1 3.83Å; M100-Y113 HydrophobicContact CE-CD1 3.65Å; M100-Y113 HydrophobicContact CE-CE1 4.38Å; M100-Y113 HydrophobicContact CE-CG 4.11Å; L102-Y113 HydrophobicContact CD1-CD1 3.98Å; L102-Y113 HydrophobicContact CD1-CD2 4.25Å; L102-Y113 HydrophobicContact CD1-CE1 3.53Å; L102-Y113 HydrophobicContact CD1-CE2 3.85Å; L102-Y113 HydrophobicContact CD1-CG 4.29Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.46Å; N109-Y113 WeakPolarHBondContact O-CE2 3.48Å; N109-Y113 PolarHBondContact O-OH 2.92Å; N109-Y113 VanDerWaalsContact O-OH 3.05Å; A111-Y113 HydrophobicContact CB-CD2 4.38Å; A111-Y113 HydrophobicContact CB-CE2 3.88Å
114	L	95.7	Very high	92.2	Very high	53 Å²	53	65.6 Å²	65.6	28%	0.277	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.8	-172	-57.4	172.2	0	0	0	110.8	W55 V56 I112	W55-L114 WeakPolarHBondContact CA-O 3.47Å; V56-L114 HydrophobicContact CG2-CB 3.79Å; V56-L114 HydrophobicContact CG2-CD1 4.47Å; V56-L114 PolarHBondContact N-O 2.81Å; V56-L114 PolarHBondContact O-N 3.49Å; I112-L114 HydrophobicContact CG2-CD1 4.48Å; I112-L114 HydrophobicContact CG2-CD2 3.68Å; I112-L114 HydrophobicContact CG2-CG 3.92Å
115	C	97	Very high	92.2	Very high	10 Å²	10	64.1 Å²	64.1	7%	0.068	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	155.6	164.2	66.1	0	0	0	0	110.9	Q25 C41 M53 Q54 W55	Q25-C115 WeakPolarHBondContact CG-SG 3.46Å; C41-C115 HydrophobicContact CB-CB 3.49Å; C41-C115 VanDerWaalsContact CB-CB 3.49Å; C41-C115 WeakPolarHBondContact CB-SG 3.34Å; C41-C115 WeakPolarHBondContact SG-CB 3.21Å; C41-C115 CovalentContact SG-SG 2.03Å; C41-C115 PolarHBondContact SG-SG 2.58Å; M53-C115 HydrophobicContact SD-CB 3.67Å; Q54-C115 CarbonylContact O-C 3.56Å; Q54-C115 VanDerWaalsContact O-CA 3.28Å; Q54-C115 WeakPolarHBondContact O-CA 3.37Å; W55-C115 HydrophobicContact CD2-CB 4.37Å; W55-C115 HydrophobicContact CE3-CB 4.21Å; W55-C115 HydrophobicContact CH2-CB 4.22Å; W55-C115 HydrophobicContact CZ2-CB 4.33Å; W55-C115 HydrophobicContact CZ3-CB 4.15Å
116	K	93.3	Very high	92.2	Very high	125 Å²	125	68.6 Å²	68.6	54%	0.543	39%	0.393	S	S	.	.			trans	-146.6	0	178.4	-64.1	-174	176.7	-173.3	0	111.2	M53 Q54	M53-K116 VanDerWaalsContact SD-O 3.35Å; Q54-K116 HydrophobicContact CB-CB 4.34Å; Q54-K116 PolarHBondContact N-O 2.62Å; Q54-K116 PolarHBondContact O-N 3.37Å

Retrieved 116 of 116 residues in 94.9 ms (Link to these results)

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