A0A075B5R1_MOUSE Loading...

Immunoglobulin heavy variable 5-17

AlphaFold DB , UniProt , Accession A0A075B5R1, Species MOUSE (Mus musculus, Mouse), Gene Ighv5-17, Length 117 aa.

						>A0A075B5R1_MOUSE|A0A075B5R1|Ighv5-17
MDSRLNLVFLVLILKGVQCEVQLVESGGGLVKPGGSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.9	Low	64.5	Low	232 Å²	232	129.5 Å²	129.5	100%	1.143	67%	0.666	S	S	*	*				0	101.5	0	-150.1	147.9	70	0	0	106.1
2	D	61.6	Low	64.4	Low	116 Å²	116	127 Å²	127	62%	0.62	65%	0.654	S	S	*	*			trans	-64.9	137.8	-158.2	-73.2	-46.4	0	0	0	113.8	R4 L5 N6	D2-R4 PolarHBondContact O-N 2.88Å; D2-L5 HydrophobicContact CB-CD1 4.08Å; D2-L5 WeakPolarHBondContact O-CB 3.11Å; D2-L5 PolarHBondContact O-N 3.34Å; D2-N6 PolarHBondContact O-N 3.05Å
3	S	65.6	Low	64.4	Low	102 Å²	102	127.6 Å²	127.6	71%	0.713	66%	0.657	S	S	*	*	H	α-helix	trans	-49.6	-30.8	176.6	175.1	0	0	0	0	113	N6 L7	S3-N6 PolarHBondContact O-N 3.36Å; S3-L7 PolarHBondContact O-N 3.37Å
4	R	68.3	Low	64.1	Low	216 Å²	216	128.4 Å²	128.4	82%	0.815	66%	0.662	S	S	*	*	H	α-helix	trans	-64	-39.7	174.7	-62.8	-143.3	-174.2	-140	4.7	113.5	D2 N6 L7 V8	D2-R4 PolarHBondContact O-N 2.88Å; R4-N6 VanDerWaalsContact C-N 3.34Å; R4-L7 PolarHBondContact O-N 3.26Å; R4-V8 WeakPolarHBondContact O-CG2 3.35Å; R4-V8 PolarHBondContact O-N 3.19Å
5	L	64.9	Low	63.8	Low	93 Å²	93	131.2 Å²	131.2	49%	0.487	67%	0.667	S	S	.	*	H	α-helix	trans	-64.5	-42.1	175.9	-86.8	101.9	0	0	0	110.7	D2 L7 V8 F9	D2-L5 HydrophobicContact CB-CD1 4.08Å; D2-L5 WeakPolarHBondContact O-CB 3.11Å; D2-L5 PolarHBondContact O-N 3.34Å; L5-L7 VanDerWaalsContact C-N 3.27Å; L5-L7 PolarHBondContact O-N 2.97Å; L5-V8 PolarHBondContact O-N 3.15Å; L5-V8 VanDerWaalsContact O-N 3.15Å; L5-F9 HydrophobicContact CB-CE2 4.42Å; L5-F9 HydrophobicContact CD2-CE2 4.28Å; L5-F9 WeakPolarHBondContact O-CD2 3.5Å; L5-F9 PolarHBondContact O-N 3Å
6	N	65.6	Low	63.6	Low	124 Å²	124	126.3 Å²	126.3	66%	0.663	66%	0.659	S	S	*	*	H	α-helix	trans	-62	-37.2	-179.6	-127.8	15.7	0	0	0	112.1	D2 S3 R4 F9 L10	D2-N6 PolarHBondContact O-N 3.05Å; S3-N6 PolarHBondContact O-N 3.36Å; R4-N6 VanDerWaalsContact C-N 3.34Å; N6-F9 PolarHBondContact O-N 3.43Å; N6-L10 PolarHBondContact O-N 2.96Å; N6-L10 VanDerWaalsContact O-N 3.16Å
7	L	64	Low	63.8	Low	120 Å²	120	126.6 Å²	126.6	63%	0.628	67%	0.668	S	S	*	*	H	α-helix	trans	-68.2	-39.6	175.8	-152.6	81.6	0	0	0	112.1	S3 R4 L5 L10 V11	S3-L7 PolarHBondContact O-N 3.37Å; R4-L7 PolarHBondContact O-N 3.26Å; L5-L7 VanDerWaalsContact C-N 3.27Å; L5-L7 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 3.33Å
8	V	70.8	Confident	63.5	Low	91 Å²	91	128.8 Å²	128.8	55%	0.552	67%	0.674	S	S	*	*	H	α-helix	trans	-64.3	-40.5	175.5	174.5	0	0	0	0	111.3	R4 L5 L10 V11 L12	R4-V8 WeakPolarHBondContact O-CG2 3.35Å; R4-V8 PolarHBondContact O-N 3.19Å; L5-V8 PolarHBondContact O-N 3.15Å; L5-V8 VanDerWaalsContact O-N 3.15Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.06Å; V8-V11 PolarHBondContact O-N 3.49Å; V8-L12 PolarHBondContact O-N 2.86Å
9	F	65.2	Low	63.8	Low	123 Å²	123	128.3 Å²	128.3	54%	0.539	68%	0.681	S	S	.	*	H	α-helix	trans	-61.1	-40.5	173.9	-80.2	-73.4	0	0	0	112.1	L5 N6 V11 L12 I13	L5-F9 HydrophobicContact CB-CE2 4.42Å; L5-F9 HydrophobicContact CD2-CE2 4.28Å; L5-F9 WeakPolarHBondContact O-CD2 3.5Å; L5-F9 PolarHBondContact O-N 3Å; N6-F9 PolarHBondContact O-N 3.43Å; F9-V11 VanDerWaalsContact C-N 3.35Å; F9-V11 PolarHBondContact O-N 3.17Å; F9-L12 PolarHBondContact O-N 3.01Å; F9-I13 WeakPolarHBondContact O-CG1 3.47Å; F9-I13 PolarHBondContact O-N 3.17Å
10	L	64.1	Low	64.9	Low	105 Å²	105	128.7 Å²	128.7	55%	0.55	68%	0.678	S	S	.	*	H	α-helix	trans	-61.5	-39.9	177.9	-159.5	81.8	0	0	0	112.7	N6 L7 V8 L12 I13 L14	N6-L10 PolarHBondContact O-N 2.96Å; N6-L10 VanDerWaalsContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 3.21Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.06Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 3.18Å; L10-I13 PolarHBondContact O-N 2.78Å; L10-L14 PolarHBondContact O-N 3.26Å
11	V	67.1	Low	66.2	Low	102 Å²	102	126 Å²	126	62%	0.618	67%	0.667	S	S	*	*	H	α-helix	trans	-65	-32.6	177.9	176.5	0	0	0	0	111.7	L7 V8 F9	L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 3.33Å; V8-V11 PolarHBondContact O-N 3.49Å; F9-V11 VanDerWaalsContact C-N 3.35Å; F9-V11 PolarHBondContact O-N 3.17Å
12	L	64.2	Low	68.3	Low	100 Å²	100	120.1 Å²	120.1	52%	0.524	64%	0.636	S	S	.	*	H	α-helix	trans	-73.2	-30.9	178.7	-68.3	170.4	0	0	0	113.2	V8 F9 L10 L14 K15	V8-L12 PolarHBondContact O-N 2.86Å; F9-L12 PolarHBondContact O-N 3.01Å; L10-L12 VanDerWaalsContact C-N 3.28Å; L10-L12 PolarHBondContact O-N 3.18Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-K15 VanDerWaalsContact O-CG 3.29Å; L12-K15 WeakPolarHBondContact O-CG 3.44Å; L12-K15 PolarHBondContact O-N 3.1Å
13	I	64	Low	70	Confident	135 Å²	135	116.7 Å²	116.7	69%	0.692	62%	0.618	S	S	*	*	H	α-helix	trans	-74.1	-24.7	179.6	-52.8	159.5	0	0	0	111.2	F9 L10 K15	F9-I13 WeakPolarHBondContact O-CG1 3.47Å; F9-I13 PolarHBondContact O-N 3.17Å; L10-I13 PolarHBondContact O-N 2.78Å; I13-K15 PolarHBondContact O-N 2.84Å
14	L	60.8	Low	71.6	Confident	138 Å²	138	115 Å²	115	72%	0.723	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	18.5	175.8	-66.6	171.2	0	0	0	113.8	L10 L12 G16	L10-L14 PolarHBondContact O-N 3.26Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L14-G16 PolarHBondContact O-N 3.29Å
15	K	58.4	Low	73	Confident	171 Å²	171	108 Å²	108	74%	0.743	58%	0.579	S	S	*	*			trans	-65.2	77.7	157	-66.1	-89.4	-175	173.7	0	106.6	L12 I13	L12-K15 VanDerWaalsContact O-CG 3.29Å; L12-K15 WeakPolarHBondContact O-CG 3.44Å; L12-K15 PolarHBondContact O-N 3.1Å; I13-K15 PolarHBondContact O-N 2.84Å
16	G	61.2	Low	74.6	Confident	52 Å²	52	106.3 Å²	106.3	54%	0.536	58%	0.576	S	S	.	*			trans	-51	142.4	-173.6	0	0	0	0	0	111.1	L14 Q18	L14-G16 PolarHBondContact O-N 3.29Å; G16-Q18 PolarHBondContact O-N 2.66Å
17	V	66.3	Low	76	Confident	133 Å²	133	102.2 Å²	102.2	81%	0.806	56%	0.563	S	S	*	*			trans	-55.8	105.9	171.3	178.2	0	0	0	0	107.3	C19	V17-C19 VanDerWaalsContact C-N 3.31Å; V17-C19 PolarHBondContact O-N 3.06Å
18	Q	58.7	Low	77.4	Confident	166 Å²	166	99.3 Å²	99.3	78%	0.776	56%	0.562	S	S	*	*			trans	-76.2	89.7	171.9	-64.5	-159.1	-70.9	0	0	107.4	G16 E20	G16-Q18 PolarHBondContact O-N 2.66Å; Q18-E20 PolarHBondContact O-N 3.24Å
19	C	69	Low	78.5	Confident	119 Å²	119	97.8 Å²	97.8	80%	0.804	56%	0.564	S	S	*	*			trans	-75.8	49.2	165.1	-79.4	0	0	0	0	110.3	V17	V17-C19 VanDerWaalsContact C-N 3.31Å; V17-C19 PolarHBondContact O-N 3.06Å
20	E	87.1	Confident	79.9	Confident	136 Å²	136	100.4 Å²	100.4	64%	0.636	58%	0.583	S	S	*	*			trans	-97.7	140.3	177.3	-167.7	167.2	-167.2	0	0	109.6	Q18 Q22	Q18-E20 PolarHBondContact O-N 3.24Å; E20-Q22 PolarHBondContact O-N 2.9Å
21	V	91.8	Very high	81.3	Confident	71 Å²	71	97.8 Å²	97.8	43%	0.43	57%	0.572	S	S	.	*			trans	-65.4	125.9	172.5	169.9	0	0	0	0	108.1	S44 F46	V21-S44 WeakPolarHBondContact CA-O 3.47Å; V21-F46 HydrophobicContact CG1-CD1 3.75Å; V21-F46 HydrophobicContact CG1-CE1 3.97Å; V21-F46 HydrophobicContact CG2-CB 4.4Å; V21-F46 HydrophobicContact CG2-CD1 4.27Å
22	Q	95.4	Very high	82.5	Confident	109 Å²	109	101.4 Å²	101.4	51%	0.509	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.3	137	179.8	-160.6	-177.8	10.7	0	0	110.5	E20 V24 A43 S44	E20-Q22 PolarHBondContact O-N 2.9Å; Q22-V24 HydrophobicContact CG-CG2 3.69Å; Q22-A43 WeakPolarHBondContact O-CA 3.14Å; Q22-S44 PolarHBondContact N-O 3.02Å; Q22-S44 PolarHBondContact O-N 2.97Å
23	L	97.9	Very high	83.9	Confident	45 Å²	45	101.9 Å²	101.9	24%	0.236	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	123.3	171.2	-66.5	-178.8	0	0	0	106.5	A42 A43 F46 M53 C115	L23-A42 WeakPolarHBondContact CA-O 3.26Å; L23-A43 HydrophobicContact CD2-CB 3.64Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 4.16Å; L23-M53 HydrophobicContact CD1-CE 4.49Å; L23-M53 HydrophobicContact CD2-CE 4.02Å; L23-C115 WeakPolarHBondContact CD1-O 3.48Å
24	V	97.9	Very high	85.4	Confident	65 Å²	65	98.1 Å²	98.1	39%	0.394	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	104.2	-174.5	-174.2	0	0	0	0	110.2	Q22 C41 A42	Q22-V24 HydrophobicContact CG-CG2 3.69Å; V24-C41 WeakPolarHBondContact O-CA 2.97Å; V24-A42 PolarHBondContact N-O 2.79Å; V24-A42 PolarHBondContact O-N 3.47Å
25	E	98.4	Very high	87.2	Confident	69 Å²	69	92.8 Å²	92.8	32%	0.322	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.1	143.7	178.7	-59.8	85	171.8	0	0	112.8	S40 C41 W55 Y114 C115	E25-S40 CarbonylContact C-O 3.54Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.37Å; E25-C41 HydrophobicContact CG-CB 4.36Å; E25-W55 HydrophobicContact CG-CH2 4.03Å; E25-W55 HydrophobicContact CG-CZ3 3.89Å; E25-Y114 WeakPolarHBondContact OE1-CA 3.46Å; E25-C115 PolarHBondContact OE1-N 3.09Å; E25-C115 PolarHBondContact OE1-SG 3.17Å
26	S	98.1	Very high	89	Confident	58 Å²	58	87.7 Å²	87.7	41%	0.406	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	170.4	-177.4	48.7	0	0	0	0	111.3	L39 S40	S26-L39 WeakPolarHBondContact O-CA 3.15Å; S26-S40 PolarHBondContact N-O 3.29Å; S26-S40 PolarHBondContact O-N 3.4Å; S26-S40 PolarHBondContact OG-O 3.16Å; S26-S40 PolarHBondContact OG-OG 3.5Å
27	G	96.1	Very high	90.7	Very high	39 Å²	39	87 Å²	87	40%	0.402	53%	0.53	S	S	.	.			trans	86.1	5.4	179.1	0	0	0	0	0	115.2	K38	G27-K38 WeakPolarHBondContact CA-O 3.4Å
28	G	92.8	Very high	92.2	Very high	59 Å²	59	85.6 Å²	85.6	61%	0.608	51%	0.514	S	S	*	.			trans	-65.5	168.4	170.1	0	0	0	0	0	112.6
29	G	93.9	Very high	94.1	Very high	58 Å²	58	78.2 Å²	78.2	60%	0.598	48%	0.479	S	S	*	.			trans	164.5	169.6	177.9	0	0	0	0	0	112.2
30	L	93.7	Very high	95.5	Very high	178 Å²	178	73.8 Å²	73.8	93%	0.932	45%	0.45	S	S	*	.			trans	-84.6	124.4	173.5	-175.6	64.9	0	0	0	109.5
31	V	94.4	Very high	96.1	Very high	51 Å²	51	67.3 Å²	67.3	31%	0.309	42%	0.42	S	S	.	.			trans	-129.2	153.3	173.7	-64.7	0	0	0	0	110.6	L37 L105	V31-L37 HydrophobicContact CB-CD1 4.5Å; V31-L37 HydrophobicContact CB-CG 4.38Å; V31-L37 HydrophobicContact CG1-CD1 3.98Å; V31-L37 HydrophobicContact CG1-CD2 3.51Å; V31-L37 HydrophobicContact CG1-CG 3.58Å; V31-L37 HydrophobicContact CG2-CD1 3.71Å; V31-L37 HydrophobicContact CG2-CG 3.88Å; V31-L105 HydrophobicContact CG2-CD1 3.47Å; V31-L105 VanDerWaalsContact CG2-CD1 3.47Å
32	K	92.9	Very high	96.4	Very high	178 Å²	178	66.1 Å²	66.1	77%	0.774	42%	0.417	S	S	*	.			trans	-69.1	149.5	174.4	-64.2	-178	-179	-179.5	0	109.9	G35	K32-G35 WeakPolarHBondContact O-CA 3.32Å; K32-G35 PolarHBondContact O-N 3.2Å
33	P	93.6	Very high	96.5	Very high	110 Å²	110	61.2 Å²	61.2	71%	0.714	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	142.3	169.6	-26.5	34.9	0	0	0	111.8	G35	P33-G35 PolarHBondContact O-N 3.33Å
34	G	95.9	Very high	96.4	Very high	56 Å²	56	61.6 Å²	61.6	58%	0.577	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-9.6	-172.1	0	0	0	0	0	114.4	L105	G34-L105 PolarHBondContact N-O 3.18Å
35	G	96.8	Very high	96.2	Very high	25 Å²	25	61 Å²	61	26%	0.258	41%	0.408	S	S	.	.			trans	-70.6	-176.4	176.3	0	0	0	0	0	113.9	K32 P33 S104 L105	K32-G35 WeakPolarHBondContact O-CA 3.32Å; K32-G35 PolarHBondContact O-N 3.2Å; P33-G35 PolarHBondContact O-N 3.33Å; G35-S104 PolarHBondContact O-N 3.42Å; G35-L105 PolarHBondContact O-N 3.47Å
36	S	97.1	Very high	96.1	Very high	65 Å²	65	59.2 Å²	59.2	46%	0.455	40%	0.4	S	S	.	.			trans	-132	148.3	-179.6	-61	0	0	0	0	110.5	M102	S36-M102 CarbonylContact C-O 3.59Å; S36-M102 WeakPolarHBondContact CA-O 3.42Å; S36-M102 VanDerWaalsContact CB-O 3.26Å; S36-M102 WeakPolarHBondContact CB-O 3.49Å
37	L	97.1	Very high	96	Very high	36 Å²	36	60.1 Å²	60.1	19%	0.188	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.9	174.3	-81.2	172.8	0	0	0	109.4	V31 M102 L105	V31-L37 HydrophobicContact CB-CD1 4.5Å; V31-L37 HydrophobicContact CB-CG 4.38Å; V31-L37 HydrophobicContact CG1-CD1 3.98Å; V31-L37 HydrophobicContact CG1-CD2 3.51Å; V31-L37 HydrophobicContact CG1-CG 3.58Å; V31-L37 HydrophobicContact CG2-CD1 3.71Å; V31-L37 HydrophobicContact CG2-CG 3.88Å; L37-M102 HydrophobicContact CB-CE 3.54Å; L37-M102 HydrophobicContact CD1-CE 4.16Å; L37-M102 PolarHBondContact N-O 3.35Å; L37-M102 PolarHBondContact O-N 3.09Å; L37-L105 HydrophobicContact CB-CD1 3.95Å; L37-L105 HydrophobicContact CD1-CD1 3.91Å; L37-L105 HydrophobicContact CG-CD1 3.89Å
38	K	98.1	Very high	96	Very high	105 Å²	105	58.3 Å²	58.3	46%	0.457	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116	171.2	-176.2	178.3	175.9	179.4	0	108.7	G27 L100	G27-K38 WeakPolarHBondContact CA-O 3.4Å; K38-L100 WeakPolarHBondContact CA-O 3.29Å
39	L	98.6	Very high	96.2	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	149.9	171	-50.3	-176.8	0	0	0	110	S26 W55 F99 L100 M102 Y113	S26-L39 WeakPolarHBondContact O-CA 3.15Å; L39-W55 HydrophobicContact CB-CH2 3.85Å; L39-W55 HydrophobicContact CB-CZ2 4.08Å; L39-W55 HydrophobicContact CB-CZ3 4.44Å; L39-W55 HydrophobicContact CD1-CH2 4.46Å; L39-W55 HydrophobicContact CD1-CZ3 4.23Å; L39-F99 VanDerWaalsContact O-CA 3.28Å; L39-F99 WeakPolarHBondContact O-CA 3.45Å; L39-L100 HydrophobicContact CB-CB 4.21Å; L39-L100 HydrophobicContact CD1-CD2 4.32Å; L39-L100 PolarHBondContact N-O 3.35Å; L39-L100 PolarHBondContact O-N 3.25Å; L39-M102 HydrophobicContact CD1-CE 3.79Å; L39-M102 HydrophobicContact CD1-SD 4.23Å; L39-M102 HydrophobicContact CD2-CE 3.87Å; L39-M102 HydrophobicContact CG-CE 3.56Å; L39-M102 HydrophobicContact CG-SD 4.44Å; L39-Y113 VanDerWaalsContact CD1-CB 3.47Å; L39-Y113 HydrophobicContact CD1-CD1 3.8Å; L39-Y113 HydrophobicContact CD1-CD2 4.05Å; L39-Y113 HydrophobicContact CD1-CG 3.51Å
40	S	98.7	Very high	96.4	Very high	27 Å²	27	60 Å²	60	19%	0.189	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.5	170.5	37.9	0	0	0	0	110.1	E25 S26 L98	E25-S40 CarbonylContact C-O 3.54Å; E25-S40 VanDerWaalsContact CA-O 3.29Å; E25-S40 WeakPolarHBondContact CA-O 3.37Å; S26-S40 PolarHBondContact N-O 3.29Å; S26-S40 PolarHBondContact O-N 3.4Å; S26-S40 PolarHBondContact OG-O 3.16Å; S26-S40 PolarHBondContact OG-OG 3.5Å; S40-L98 CarbonylContact C-O 3.59Å; S40-L98 VanDerWaalsContact CA-O 3.3Å; S40-L98 WeakPolarHBondContact CA-O 3.3Å
41	C	98.7	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	112.8	172	157.6	0	0	0	0	108.6	V24 E25 W55 T97 L98 C115	V24-C41 WeakPolarHBondContact O-CA 2.97Å; E25-C41 HydrophobicContact CG-CB 4.36Å; C41-W55 HydrophobicContact CB-CH2 3.77Å; C41-W55 HydrophobicContact CB-CZ2 3.79Å; C41-T97 CarbonylContact O-C 3.54Å; C41-T97 WeakPolarHBondContact O-CA 3.41Å; C41-L98 HydrophobicContact CB-CB 4.15Å; C41-L98 PolarHBondContact N-O 3.35Å; C41-L98 PolarHBondContact O-N 3.49Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.35Å; C41-C115 WeakPolarHBondContact SG-CB 3.49Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.21Å
42	A	98.3	Very high	96.8	Very high	45 Å²	45	54.3 Å²	54.3	37%	0.372	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.3	175.1	0	0	0	0	0	109.5	L23 V24	L23-A42 WeakPolarHBondContact CA-O 3.26Å; V24-A42 PolarHBondContact N-O 2.79Å; V24-A42 PolarHBondContact O-N 3.47Å
43	A	97.9	Very high	97	Very high	7 Å²	7	45.8 Å²	45.8	6%	0.058	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.8	-177.3	0	0	0	0	0	111.8	Q22 L23 F46 F48 N96	Q22-A43 WeakPolarHBondContact O-CA 3.14Å; L23-A43 HydrophobicContact CD2-CB 3.64Å; A43-F46 HydrophobicContact CB-CE1 3.83Å; A43-F46 HydrophobicContact CB-CZ 3.82Å; A43-F48 HydrophobicContact CB-CD2 3.5Å; A43-F48 HydrophobicContact CB-CE2 4.04Å; A43-F48 HydrophobicContact CB-CG 4.33Å; A43-N96 HydrophobicContact CB-CB 4.49Å; A43-N96 PolarHBondContact N-O 2.8Å; A43-N96 VanDerWaalsContact O-CB 3.27Å; A43-N96 WeakPolarHBondContact O-CB 3.34Å
44	S	96	Very high	97.3	Very high	53 Å²	53	43.3 Å²	43.3	37%	0.371	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	166.8	175	53.2	0	0	0	0	111.8	V21 Q22 F46	V21-S44 WeakPolarHBondContact CA-O 3.47Å; Q22-S44 PolarHBondContact N-O 3.02Å; Q22-S44 PolarHBondContact O-N 2.97Å; S44-F46 VanDerWaalsContact C-N 3.32Å; S44-F46 WeakPolarHBondContact O-CD1 3.45Å; S44-F46 PolarHBondContact O-N 3.04Å
45	G	94.2	Very high	97.4	Very high	52 Å²	52	40.6 Å²	40.6	54%	0.536	25%	0.248	S	C	.	.	S	Bend	trans	81.7	4.3	-178	0	0	0	0	0	114.9
46	F	94.4	Very high	97.5	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.14	24%	0.244	C	C	.	.	S	Bend	trans	-155.7	166.1	171.9	68.8	-77.3	0	0	0	111.5	V21 L23 A43 S44 F48 Y51 M53 R117	V21-F46 HydrophobicContact CG1-CD1 3.75Å; V21-F46 HydrophobicContact CG1-CE1 3.97Å; V21-F46 HydrophobicContact CG2-CB 4.4Å; V21-F46 HydrophobicContact CG2-CD1 4.27Å; L23-F46 HydrophobicContact CD2-CE1 3.99Å; L23-F46 HydrophobicContact CD2-CZ 4.16Å; A43-F46 HydrophobicContact CB-CE1 3.83Å; A43-F46 HydrophobicContact CB-CZ 3.82Å; S44-F46 VanDerWaalsContact C-N 3.32Å; S44-F46 WeakPolarHBondContact O-CD1 3.45Å; S44-F46 PolarHBondContact O-N 3.04Å; F46-F48 HydrophobicContact CE2-CB 4.34Å; F46-F48 HydrophobicContact CE2-CD2 4.34Å; F46-F48 HydrophobicContact CZ-CD2 4.17Å; F46-F48 PolarHBondContact O-N 2.74Å; F46-F48 VanDerWaalsContact O-N 3.08Å; F46-Y51 AromaticContact CD2-CD2 3.61Å; F46-Y51 HydrophobicContact CD2-CD2 3.61Å; F46-Y51 AromaticContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CG 4.48Å; F46-Y51 AromaticContact CE2-CD2 3.93Å; F46-Y51 HydrophobicContact CE2-CD2 3.93Å; F46-Y51 HydrophobicContact CE2-CG 4.44Å; F46-M53 HydrophobicContact CE2-SD 4.44Å; F46-M53 HydrophobicContact CZ-CE 4.44Å; F46-M53 HydrophobicContact CZ-SD 4.31Å; F46-R117 VanDerWaalsContact CB-NH1 3.29Å; F46-R117 HydrophobicContact CE2-CG 4.04Å; F46-R117 VanDerWaalsContact CG-NH1 3.3Å; F46-R117 HydrophobicContact CZ-CB 4.48Å; F46-R117 HydrophobicContact CZ-CG 4.39Å
47	T	96.1	Very high	97.5	Very high	77 Å²	77	38.1 Å²	38.1	47%	0.472	22%	0.224	S	C	.	.			trans	-74.7	93.6	173.8	-49.5	0	0	0	0	110.3	S49 D50 Y51	T47-S49 WeakPolarHBondContact CG2-OG 3.33Å; T47-S49 PolarHBondContact O-N 2.9Å; T47-S49 VanDerWaalsContact O-N 3.16Å; T47-D50 WeakPolarHBondContact CB-OD2 3.5Å; T47-D50 HydrophobicContact CG2-CB 4.33Å; T47-D50 VanDerWaalsContact CG2-CG 3.4Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.29Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.35Å; T47-D50 PolarHBondContact O-N 2.97Å; T47-Y51 WeakPolarHBondContact O-CD2 3.39Å
48	F	97.2	Very high	97.6	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-54.4	-35.4	-176.3	177.6	-101.5	0	0	0	113.9	A43 F46 D50 Y51 M53 R91 N93 N96 L98	A43-F48 HydrophobicContact CB-CD2 3.5Å; A43-F48 HydrophobicContact CB-CE2 4.04Å; A43-F48 HydrophobicContact CB-CG 4.33Å; F46-F48 HydrophobicContact CE2-CB 4.34Å; F46-F48 HydrophobicContact CE2-CD2 4.34Å; F46-F48 HydrophobicContact CZ-CD2 4.17Å; F46-F48 PolarHBondContact O-N 2.74Å; F46-F48 VanDerWaalsContact O-N 3.08Å; F48-D50 PolarHBondContact O-N 3.37Å; F48-Y51 PolarHBondContact O-N 2.8Å; F48-M53 HydrophobicContact CD2-CG 4.3Å; F48-M53 HydrophobicContact CD2-SD 4.16Å; F48-M53 HydrophobicContact CE2-CE 4.11Å; F48-M53 HydrophobicContact CE2-CG 3.61Å; F48-M53 HydrophobicContact CE2-SD 3.94Å; F48-M53 HydrophobicContact CZ-CG 4.07Å; F48-R91 HydrophobicContact CE1-CB 4.25Å; F48-R91 VanDerWaalsContact CE1-NH2 3.3Å; F48-R91 HydrophobicContact CZ-CB 4.24Å; F48-R91 PolarHBondContact O-NH2 2.9Å; F48-N93 WeakPolarHBondContact CD1-OD1 3.42Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.48Å; F48-N96 HydrophobicContact CB-CB 3.87Å; F48-N96 WeakPolarHBondContact CB-OD1 3.33Å; F48-N96 HydrophobicContact CD1-CB 4.39Å; F48-N96 HydrophobicContact CG-CB 4.1Å; F48-L98 HydrophobicContact CE2-CB 4.42Å; F48-L98 HydrophobicContact CZ-CB 4.23Å
49	S	97.4	Very high	97.5	Very high	46 Å²	46	36 Å²	36	32%	0.322	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-64.9	-20	178.8	55.2	0	0	0	0	114.3	T47 Y51 S72	T47-S49 WeakPolarHBondContact CG2-OG 3.33Å; T47-S49 PolarHBondContact O-N 2.9Å; T47-S49 VanDerWaalsContact O-N 3.16Å; S49-Y51 VanDerWaalsContact C-N 3.3Å; S49-Y51 PolarHBondContact O-N 2.95Å; S49-S72 WeakPolarHBondContact O-CB 3.33Å
50	D	97.1	Very high	97.2	Very high	107 Å²	107	40.4 Å²	40.4	57%	0.572	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-85.1	-8	-174.3	-63.1	-7.9	0	0	0	112.5	T47 F48	T47-D50 WeakPolarHBondContact CB-OD2 3.5Å; T47-D50 HydrophobicContact CG2-CB 4.33Å; T47-D50 VanDerWaalsContact CG2-CG 3.4Å; T47-D50 WeakPolarHBondContact CG2-OD1 3.29Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.35Å; T47-D50 PolarHBondContact O-N 2.97Å; F48-D50 PolarHBondContact O-N 3.37Å
51	Y	97.7	Very high	97	Very high	95 Å²	95	49 Å²	49	37%	0.373	29%	0.285	S	S	.	.	S	Bend	trans	-123	143.5	-173.4	-62.3	-92.7	0	0	0	112.6	F46 T47 F48 S49 R91 R117	F46-Y51 AromaticContact CD2-CD2 3.61Å; F46-Y51 HydrophobicContact CD2-CD2 3.61Å; F46-Y51 AromaticContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CE2 3.85Å; F46-Y51 HydrophobicContact CD2-CG 4.48Å; F46-Y51 AromaticContact CE2-CD2 3.93Å; F46-Y51 HydrophobicContact CE2-CD2 3.93Å; F46-Y51 HydrophobicContact CE2-CG 4.44Å; T47-Y51 WeakPolarHBondContact O-CD2 3.39Å; F48-Y51 PolarHBondContact O-N 2.8Å; S49-Y51 VanDerWaalsContact C-N 3.3Å; S49-Y51 PolarHBondContact O-N 2.95Å; Y51-R91 PolarHBondContact O-NH1 3.12Å; Y51-R91 PolarHBondContact O-NH2 3.5Å; Y51-R117 VanDerWaalsContact CB-CG 3.48Å; Y51-R117 HydrophobicContact CD1-CG 3.58Å; Y51-R117 HydrophobicContact CD2-CG 4.27Å; Y51-R117 HydrophobicContact CE1-CG 4.37Å; Y51-R117 HydrophobicContact CG-CG 3.52Å
52	G	98.2	Very high	96.8	Very high	13 Å²	13	55.9 Å²	55.9	13%	0.134	31%	0.314	C	S	.	.			trans	-68.8	155.5	158.4	0	0	0	0	0	109.7	I70	G52-I70 CarbonylContact C-O 3.58Å; G52-I70 VanDerWaalsContact CA-O 3.25Å; G52-I70 WeakPolarHBondContact CA-O 3.38Å
53	M	98.6	Very high	96.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.4	-176.6	-61.3	-62.8	-60	0	0	110.4	L23 F46 F48 Y69 I70 L98 A116 R117	L23-M53 HydrophobicContact CD1-CE 4.49Å; L23-M53 HydrophobicContact CD2-CE 4.02Å; F46-M53 HydrophobicContact CE2-SD 4.44Å; F46-M53 HydrophobicContact CZ-CE 4.44Å; F46-M53 HydrophobicContact CZ-SD 4.31Å; F48-M53 HydrophobicContact CD2-CG 4.3Å; F48-M53 HydrophobicContact CD2-SD 4.16Å; F48-M53 HydrophobicContact CE2-CE 4.11Å; F48-M53 HydrophobicContact CE2-CG 3.61Å; F48-M53 HydrophobicContact CE2-SD 3.94Å; F48-M53 HydrophobicContact CZ-CG 4.07Å; M53-Y69 WeakPolarHBondContact O-CA 3.02Å; M53-Y69 WeakPolarHBondContact O-CD2 3.42Å; M53-I70 HydrophobicContact CB-CG2 4.36Å; M53-I70 PolarHBondContact N-O 2.84Å; M53-I70 PolarHBondContact O-N 2.91Å; M53-L98 HydrophobicContact CB-CD1 3.76Å; M53-L98 HydrophobicContact CB-CD2 3.79Å; M53-L98 HydrophobicContact CB-CG 4.34Å; M53-L98 HydrophobicContact CG-CD1 4.42Å; M53-A116 WeakPolarHBondContact CA-O 3.02Å; M53-A116 WeakPolarHBondContact CE-O 3.44Å; M53-R117 HydrophobicContact CE-CB 4.18Å; M53-R117 HydrophobicContact SD-CB 3.96Å; M53-R117 HydrophobicContact SD-CG 4.03Å
54	H	98.7	Very high	96.6	Very high	57 Å²	57	61.8 Å²	61.8	26%	0.264	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.7	-178	-62.3	-106.9	0	0	0	110.5	W66 A68 Y69 C115 A116	H54-W66 AromaticContact ND1-CD1 3.63Å; H54-W66 AromaticContact ND1-NE1 3.16Å; H54-W66 PolarHBondContact ND1-NE1 2.9Å; H54-W66 VanDerWaalsContact ND1-NE1 3.16Å; H54-A68 CarbonylContact C-O 3.58Å; H54-A68 VanDerWaalsContact CA-O 3.3Å; H54-A68 WeakPolarHBondContact CA-O 3.44Å; H54-Y69 AromaticContact CD2-CD2 3.7Å; H54-Y69 AromaticContact CE1-CD2 3.28Å; H54-Y69 WeakPolarHBondContact CE1-CD2 3.26Å; H54-Y69 AromaticContact CE1-CE2 3.93Å; H54-Y69 AromaticContact CG-CD2 3.96Å; H54-Y69 AromaticContact ND1-CD2 3.73Å; H54-Y69 AromaticContact NE2-CD2 3.24Å; H54-Y69 WeakPolarHBondContact NE2-CD2 3.46Å; H54-Y69 AromaticContact NE2-CE2 3.52Å; H54-C115 CarbonylContact O-C 3.54Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.39Å; H54-A116 HydrophobicContact CB-CB 4.36Å; H54-A116 PolarHBondContact N-O 3.41Å; H54-A116 PolarHBondContact O-N 3.12Å
55	W	98.8	Very high	96.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.8	155.8	-80.3	100.5	0	0	0	108.9	E25 L39 C41 V67 A68 L98 L100 Y113 C115	E25-W55 HydrophobicContact CG-CH2 4.03Å; E25-W55 HydrophobicContact CG-CZ3 3.89Å; L39-W55 HydrophobicContact CB-CH2 3.85Å; L39-W55 HydrophobicContact CB-CZ2 4.08Å; L39-W55 HydrophobicContact CB-CZ3 4.44Å; L39-W55 HydrophobicContact CD1-CH2 4.46Å; L39-W55 HydrophobicContact CD1-CZ3 4.23Å; C41-W55 HydrophobicContact CB-CH2 3.77Å; C41-W55 HydrophobicContact CB-CZ2 3.79Å; W55-V67 HydrophobicContact CB-CB 4.1Å; W55-V67 HydrophobicContact CB-CG1 4.46Å; W55-V67 WeakPolarHBondContact O-CB 3.42Å; W55-V67 PolarHBondContact O-N 2.88Å; W55-A68 PolarHBondContact N-O 2.98Å; W55-A68 PolarHBondContact O-N 2.8Å; W55-L98 HydrophobicContact CD2-CD2 4.42Å; W55-L98 HydrophobicContact CG-CD2 4.35Å; W55-L98 HydrophobicContact CZ2-CD2 4.4Å; W55-L98 VanDerWaalsContact NE1-CD2 3.29Å; W55-L100 HydrophobicContact CB-CD2 4.29Å; W55-L100 HydrophobicContact CD2-CB 4.17Å; W55-L100 HydrophobicContact CD2-CD2 4.24Å; W55-L100 HydrophobicContact CG-CB 4.22Å; W55-L100 HydrophobicContact CG-CD1 4.38Å; W55-L100 HydrophobicContact CG-CD2 4.03Å; W55-L100 HydrophobicContact CG-CG 4.46Å; W55-L100 HydrophobicContact CZ2-CB 4.28Å; W55-Y113 HydrophobicContact CE3-CD1 4.5Å; W55-C115 HydrophobicContact CD2-CB 4.46Å; W55-C115 HydrophobicContact CE3-CB 4.33Å; W55-C115 HydrophobicContact CH2-CB 4.34Å; W55-C115 HydrophobicContact CZ2-CB 4.46Å; W55-C115 HydrophobicContact CZ3-CB 4.27Å
56	V	98.5	Very high	96.9	Very high	27 Å²	27	64.6 Å²	64.6	16%	0.164	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.2	175.8	-175.6	0	0	0	0	107.1	L64 E65 Y113 Y114	V56-L64 HydrophobicContact CG1-CB 3.86Å; V56-L64 HydrophobicContact CG1-CD2 3.77Å; V56-L64 HydrophobicContact CG1-CG 4.32Å; V56-E65 CarbonylContact C-O 3.59Å; V56-E65 WeakPolarHBondContact CA-O 3.24Å; V56-E65 WeakPolarHBondContact CG1-O 3.28Å; V56-Y113 WeakPolarHBondContact O-CA 3.25Å; V56-Y114 PolarHBondContact N-O 3.49Å; V56-Y114 PolarHBondContact O-N 3.07Å; V56-Y114 VanDerWaalsContact O-O 3.1Å
57	R	97.8	Very high	97.1	Very high	11 Å²	11	63.1 Å²	63.1	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.1	175.4	73.8	-180	-178.9	-174.4	-2.3	111.9	E65 V67 D109 A111 M112 Y113	R57-E65 HydrophobicContact CG-CB 4.09Å; R57-E65 IonicContact CZ-OE1 3.83Å; R57-E65 IonicContact CZ-OE2 2.66Å; R57-E65 VanDerWaalsContact CZ-OE2 3.27Å; R57-E65 PolarHBondContact N-O 3.38Å; R57-E65 IonicContact NE-OE1 3.29Å; R57-E65 IonicContact NE-OE2 3.43Å; R57-E65 PolarHBondContact NE-OE2 2.8Å; R57-E65 VanDerWaalsContact NH2-CD 3.34Å; R57-E65 IonicContact NH2-OE1 3.76Å; R57-E65 PolarHBondContact NH2-OE1 3.12Å; R57-E65 VanDerWaalsContact NH2-OE1 3.09Å; R57-E65 IonicContact NH2-OE2 2.95Å; R57-E65 PolarHBondContact NH2-OE2 2.87Å; R57-E65 PolarHBondContact O-N 2.8Å; R57-V67 HydrophobicContact CB-CG2 3.79Å; R57-V67 HydrophobicContact CG-CG2 3.56Å; R57-D109 IonicContact NH1-OD1 2.86Å; R57-D109 PolarHBondContact NH1-OD1 2.82Å; R57-A111 HydrophobicContact CB-CB 3.87Å; R57-A111 HydrophobicContact CG-CB 4.16Å; R57-M112 CarbonylContact C-O 3.43Å; R57-M112 WeakPolarHBondContact CA-O 3.38Å; R57-Y113 HydrophobicContact CB-CD1 3.88Å; R57-Y113 HydrophobicContact CB-CD2 4.29Å; R57-Y113 HydrophobicContact CB-CE1 3.84Å; R57-Y113 HydrophobicContact CB-CE2 4.23Å; R57-Y113 HydrophobicContact CB-CG 4.11Å; R57-Y113 PolarHBondContact NH1-OH 3.02Å
58	Q	97.8	Very high	97.2	Very high	77 Å²	77	59.4 Å²	59.4	36%	0.36	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.6	174.1	-166.3	174.5	20.4	0	0	109.6	K62 L64 A111 M112 Y114	Q58-K62 WeakPolarHBondContact CG-O 3.3Å; Q58-K62 PolarHBondContact NE2-O 3.09Å; Q58-L64 HydrophobicContact CB-CD2 4.06Å; Q58-L64 HydrophobicContact CG-CD2 4.48Å; Q58-A111 WeakPolarHBondContact O-CA 3.47Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; Q58-M112 PolarHBondContact N-O 2.89Å; Q58-M112 PolarHBondContact O-N 2.95Å; Q58-Y114 HydrophobicContact CB-CE2 4.14Å
59	A	95.9	Very high	97.3	Very high	18 Å²	18	61.9 Å²	61.9	15%	0.149	32%	0.321	C	S	.	.			trans	-76.3	155.5	170.3	0	0	0	0	0	110.1	E61 K62 A111	A59-E61 PolarHBondContact O-N 3.43Å; A59-K62 HydrophobicContact CB-CB 4.12Å; A59-K62 HydrophobicContact CB-CD 3.96Å; A59-K62 HydrophobicContact CB-CG 4.12Å; A59-K62 PolarHBondContact O-N 2.86Å; A59-A111 HydrophobicContact CB-CB 4.33Å
60	P	94.3	Very high	97.3	Very high	103 Å²	103	59.9 Å²	59.9	67%	0.669	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	134.8	175	-24.8	34	0	0	0	111.1	K62	P60-K62 PolarHBondContact O-N 2.84Å
61	E	94.1	Very high	97.4	Very high	209 Å²	209	55.2 Å²	55.2	98%	0.977	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	7.9	179.9	-52.3	179.5	167	0	0	115.5	A59	A59-E61 PolarHBondContact O-N 3.43Å
62	K	92.9	Very high	97.4	Very high	143 Å²	143	53 Å²	53	62%	0.622	28%	0.281	S	S	*	.			trans	-108.9	161.9	175.9	-58.6	-164.8	-172.5	173.9	0	111.8	Q58 A59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.3Å; Q58-K62 PolarHBondContact NE2-O 3.09Å; A59-K62 HydrophobicContact CB-CB 4.12Å; A59-K62 HydrophobicContact CB-CD 3.96Å; A59-K62 HydrophobicContact CB-CG 4.12Å; A59-K62 PolarHBondContact O-N 2.86Å; P60-K62 PolarHBondContact O-N 2.84Å
63	G	95.1	Very high	97.3	Very high	56 Å²	56	55.1 Å²	55.1	58%	0.577	30%	0.303	S	S	*	.			trans	-71.4	177.1	170.5	0	0	0	0	0	112.8
64	L	97.4	Very high	97.2	Very high	121 Å²	121	57.7 Å²	57.7	63%	0.634	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.9	171	-68.1	167.6	0	0	0	110.2	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.86Å; V56-L64 HydrophobicContact CG1-CD2 3.77Å; V56-L64 HydrophobicContact CG1-CG 4.32Å; Q58-L64 HydrophobicContact CB-CD2 4.06Å; Q58-L64 HydrophobicContact CG-CD2 4.48Å
65	E	97.8	Very high	97.2	Very high	70 Å²	70	60 Å²	60	33%	0.327	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126	174.9	-173.8	-171	172.9	0	0	108.7	V56 R57 T82	V56-E65 CarbonylContact C-O 3.59Å; V56-E65 WeakPolarHBondContact CA-O 3.24Å; V56-E65 WeakPolarHBondContact CG1-O 3.28Å; R57-E65 HydrophobicContact CG-CB 4.09Å; R57-E65 IonicContact CZ-OE1 3.83Å; R57-E65 IonicContact CZ-OE2 2.66Å; R57-E65 VanDerWaalsContact CZ-OE2 3.27Å; R57-E65 PolarHBondContact N-O 3.38Å; R57-E65 IonicContact NE-OE1 3.29Å; R57-E65 IonicContact NE-OE2 3.43Å; R57-E65 PolarHBondContact NE-OE2 2.8Å; R57-E65 VanDerWaalsContact NH2-CD 3.34Å; R57-E65 IonicContact NH2-OE1 3.76Å; R57-E65 PolarHBondContact NH2-OE1 3.12Å; R57-E65 VanDerWaalsContact NH2-OE1 3.09Å; R57-E65 IonicContact NH2-OE2 2.95Å; R57-E65 PolarHBondContact NH2-OE2 2.87Å; R57-E65 PolarHBondContact O-N 2.8Å; E65-T82 PolarHBondContact OE1-OG1 3.37Å; E65-T82 VanDerWaalsContact OE1-OG1 3.12Å
66	W	98.3	Very high	97.1	Very high	93 Å²	93	62.3 Å²	62.3	35%	0.352	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.4	173.9	175.3	78.1	0	0	0	110.5	H54 A68 Y79 A80	H54-W66 AromaticContact ND1-CD1 3.63Å; H54-W66 AromaticContact ND1-NE1 3.16Å; H54-W66 PolarHBondContact ND1-NE1 2.9Å; H54-W66 VanDerWaalsContact ND1-NE1 3.16Å; W66-A68 VanDerWaalsContact CZ2-C 3.43Å; W66-A68 PolarHBondContact NE1-O 3.35Å; W66-A68 VanDerWaalsContact NE1-O 3.12Å; W66-Y79 VanDerWaalsContact CZ3-C 3.42Å; W66-A80 HydrophobicContact CE3-CB 3.95Å; W66-A80 HydrophobicContact CZ3-CB 4Å; W66-A80 VanDerWaalsContact O-CB 3.28Å; W66-A80 WeakPolarHBondContact O-CB 3.5Å
67	V	98.6	Very high	97.2	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-52	-173.1	177.8	0	0	0	0	111.9	W55 R57 A80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.1Å; W55-V67 HydrophobicContact CB-CG1 4.46Å; W55-V67 WeakPolarHBondContact O-CB 3.42Å; W55-V67 PolarHBondContact O-N 2.88Å; R57-V67 HydrophobicContact CB-CG2 3.79Å; R57-V67 HydrophobicContact CG-CG2 3.56Å; V67-A80 PolarHBondContact O-N 2.82Å; V67-V83 HydrophobicContact CG1-CG1 4.4Å; V67-V83 HydrophobicContact CG1-CG2 4.03Å; V67-V83 WeakPolarHBondContact O-CG2 3.4Å; V67-F87 HydrophobicContact CG1-CD2 3.75Å; V67-F87 HydrophobicContact CG1-CE2 4.12Å; V67-L100 HydrophobicContact CG1-CD2 4.16Å; V67-Y113 HydrophobicContact CG1-CE1 4.38Å; V67-Y113 HydrophobicContact CG2-CE1 4.13Å
68	A	98.8	Very high	97.2	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.4	-175.4	0	0	0	0	0	111.9	H54 W55 W66 Y78 Y79 I89 L100	H54-A68 CarbonylContact C-O 3.58Å; H54-A68 VanDerWaalsContact CA-O 3.3Å; H54-A68 WeakPolarHBondContact CA-O 3.44Å; W55-A68 PolarHBondContact N-O 2.98Å; W55-A68 PolarHBondContact O-N 2.8Å; W66-A68 VanDerWaalsContact CZ2-C 3.43Å; W66-A68 PolarHBondContact NE1-O 3.35Å; W66-A68 VanDerWaalsContact NE1-O 3.12Å; A68-Y78 CarbonylContact C-O 3.47Å; A68-Y78 VanDerWaalsContact CA-O 3.26Å; A68-Y78 WeakPolarHBondContact CA-O 3.38Å; A68-Y79 HydrophobicContact CB-CD1 3.76Å; A68-Y79 HydrophobicContact CB-CE1 4.04Å; A68-I89 HydrophobicContact CB-CB 4Å; A68-I89 HydrophobicContact CB-CD1 3.99Å; A68-I89 HydrophobicContact CB-CG2 4.14Å; A68-L100 HydrophobicContact CB-CD1 4.4Å
69	Y	98.7	Very high	97.2	Very high	53 Å²	53	69.6 Å²	69.6	21%	0.208	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.6	175.7	168.8	-99.7	0	0	0	110.6	M53 H54 T76 I77 Y78	M53-Y69 WeakPolarHBondContact O-CA 3.02Å; M53-Y69 WeakPolarHBondContact O-CD2 3.42Å; H54-Y69 AromaticContact CD2-CD2 3.7Å; H54-Y69 AromaticContact CE1-CD2 3.28Å; H54-Y69 WeakPolarHBondContact CE1-CD2 3.26Å; H54-Y69 AromaticContact CE1-CE2 3.93Å; H54-Y69 AromaticContact CG-CD2 3.96Å; H54-Y69 AromaticContact ND1-CD2 3.73Å; H54-Y69 AromaticContact NE2-CD2 3.24Å; H54-Y69 WeakPolarHBondContact NE2-CD2 3.46Å; H54-Y69 AromaticContact NE2-CE2 3.52Å; Y69-T76 HydrophobicContact CE1-CG2 4.41Å; Y69-I77 WeakPolarHBondContact O-CA 2.95Å; Y69-Y78 AromaticContact CD1-CD2 3.7Å; Y69-Y78 HydrophobicContact CD1-CD2 3.7Å; Y69-Y78 HydrophobicContact CD1-CE2 4.29Å; Y69-Y78 HydrophobicContact CE1-CD2 4.4Å; Y69-Y78 HydrophobicContact CG-CD2 4.48Å; Y69-Y78 PolarHBondContact N-O 3Å; Y69-Y78 PolarHBondContact O-N 2.74Å; Y69-Y78 VanDerWaalsContact O-N 3.09Å
70	I	98.8	Very high	97.4	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.015	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	130.9	169.4	-172	160.6	0	0	0	110.4	G52 M53 I77 I89 R91 L98	G52-I70 CarbonylContact C-O 3.58Å; G52-I70 VanDerWaalsContact CA-O 3.25Å; G52-I70 WeakPolarHBondContact CA-O 3.38Å; M53-I70 HydrophobicContact CB-CG2 4.36Å; M53-I70 PolarHBondContact N-O 2.84Å; M53-I70 PolarHBondContact O-N 2.91Å; I70-I77 HydrophobicContact CB-CG1 4.42Å; I70-I77 HydrophobicContact CD1-CD1 4.11Å; I70-I77 HydrophobicContact CD1-CG1 4.17Å; I70-I77 HydrophobicContact CG1-CD1 4.42Å; I70-I77 HydrophobicContact CG1-CG1 3.95Å; I70-I89 HydrophobicContact CB-CD1 3.95Å; I70-I89 HydrophobicContact CB-CG1 4.19Å; I70-I89 HydrophobicContact CB-CG2 4.08Å; I70-I89 HydrophobicContact CG2-CD1 3.59Å; I70-I89 HydrophobicContact CG2-CG1 3.89Å; I70-R91 HydrophobicContact CD1-CB 4.48Å; I70-R91 HydrophobicContact CD1-CG 3.89Å; I70-R91 HydrophobicContact CG1-CG 4.4Å; I70-L98 HydrophobicContact CG2-CD1 3.56Å
71	S	98.4	Very high	97.5	Very high	9 Å²	9	71.3 Å²	71.3	6%	0.063	39%	0.388	C	S	.	.			trans	-68	165.1	175.4	66.7	0	0	0	0	112.5	G73 S74 S75 T76 R91	S71-G73 VanDerWaalsContact C-N 3.3Å; S71-G73 PolarHBondContact O-N 2.78Å; S71-S74 PolarHBondContact O-N 2.79Å; S71-S74 PolarHBondContact OG-N 3.37Å; S71-S75 PolarHBondContact OG-N 2.85Å; S71-S75 VanDerWaalsContact OG-N 3.12Å; S71-S75 PolarHBondContact OG-OG 2.78Å; S71-T76 PolarHBondContact N-O 2.97Å; S71-T76 PolarHBondContact OG-N 2.77Å; S71-T76 VanDerWaalsContact OG-N 3.09Å; S71-R91 WeakPolarHBondContact O-CD 3.41Å; S71-R91 PolarHBondContact O-NH1 2.89Å
72	S	97.7	Very high	97.6	Very high	49 Å²	49	64.7 Å²	64.7	34%	0.343	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-46.7	175.7	44.5	0	0	0	0	113.4	S49 R91 N93	S49-S72 WeakPolarHBondContact O-CB 3.33Å; S72-R91 VanDerWaalsContact CA-NH1 3.25Å; S72-N93 PolarHBondContact O-ND2 2.93Å
73	G	96.1	Very high	97.9	Very high	58 Å²	58	57.9 Å²	57.9	60%	0.598	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	4.7	178.5	0	0	0	0	0	114.9	S71 S75	S71-G73 VanDerWaalsContact C-N 3.3Å; S71-G73 PolarHBondContact O-N 2.78Å; G73-S75 PolarHBondContact O-N 2.96Å
74	S	97.5	Very high	98	Very high	54 Å²	54	61.9 Å²	61.9	38%	0.378	33%	0.333	S	S	.	.	S	Bend	trans	58.3	15	-175.2	-48.2	0	0	0	0	115.3	S71 T76 R91	S71-S74 PolarHBondContact O-N 2.79Å; S71-S74 PolarHBondContact OG-N 3.37Å; S74-T76 VanDerWaalsContact C-N 3.35Å; S74-R91 WeakPolarHBondContact OG-CD 3.37Å; S74-R91 WeakPolarHBondContact OG-CG 3.21Å
75	S	97.3	Very high	98	Very high	104 Å²	104	59.8 Å²	59.8	73%	0.727	34%	0.342	S	S	*	.			trans	-76.8	-22.1	-179.9	55.5	0	0	0	0	113.3	S71 G73	S71-S75 PolarHBondContact OG-N 2.85Å; S71-S75 VanDerWaalsContact OG-N 3.12Å; S71-S75 PolarHBondContact OG-OG 2.78Å; G73-S75 PolarHBondContact O-N 2.96Å
76	T	98.3	Very high	98	Very high	50 Å²	50	57.6 Å²	57.6	31%	0.307	33%	0.33	S	S	.	.			trans	-131.1	123.7	-176.6	-54.3	0	0	0	0	108.8	Y69 S71 S74 Y78	Y69-T76 HydrophobicContact CE1-CG2 4.41Å; S71-T76 PolarHBondContact N-O 2.97Å; S71-T76 PolarHBondContact OG-N 2.77Å; S71-T76 VanDerWaalsContact OG-N 3.09Å; S74-T76 VanDerWaalsContact C-N 3.35Å; T76-Y78 HydrophobicContact CG2-CD2 4.06Å; T76-Y78 HydrophobicContact CG2-CE1 4.36Å; T76-Y78 HydrophobicContact CG2-CE2 3.27Å; T76-Y78 VanDerWaalsContact CG2-CZ 3.45Å; T76-Y78 WeakPolarHBondContact CG2-OH 3.28Å
77	I	98.7	Very high	98	Very high	69 Å²	69	53.3 Å²	53.3	35%	0.354	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.2	-178.1	-62.8	172.3	0	0	0	108.5	Y69 I70 Y79 I89	Y69-I77 WeakPolarHBondContact O-CA 2.95Å; I70-I77 HydrophobicContact CB-CG1 4.42Å; I70-I77 HydrophobicContact CD1-CD1 4.11Å; I70-I77 HydrophobicContact CD1-CG1 4.17Å; I70-I77 HydrophobicContact CG1-CD1 4.42Å; I70-I77 HydrophobicContact CG1-CG1 3.95Å; I77-Y79 HydrophobicContact CG2-CD2 4.17Å; I77-Y79 HydrophobicContact CG2-CE1 4.36Å; I77-Y79 HydrophobicContact CG2-CE2 3.39Å; I77-Y79 WeakPolarHBondContact CG2-OH 3.44Å; I77-I89 HydrophobicContact CG2-CG2 3.61Å
78	Y	98.6	Very high	98	Very high	143 Å²	143	56.9 Å²	56.9	56%	0.561	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.5	174.7	-57.9	-67.4	0	0	0	110.5	A68 Y69 T76	A68-Y78 CarbonylContact C-O 3.47Å; A68-Y78 VanDerWaalsContact CA-O 3.26Å; A68-Y78 WeakPolarHBondContact CA-O 3.38Å; Y69-Y78 AromaticContact CD1-CD2 3.7Å; Y69-Y78 HydrophobicContact CD1-CD2 3.7Å; Y69-Y78 HydrophobicContact CD1-CE2 4.29Å; Y69-Y78 HydrophobicContact CE1-CD2 4.4Å; Y69-Y78 HydrophobicContact CG-CD2 4.48Å; Y69-Y78 PolarHBondContact N-O 3Å; Y69-Y78 PolarHBondContact O-N 2.74Å; Y69-Y78 VanDerWaalsContact O-N 3.09Å; T76-Y78 HydrophobicContact CG2-CD2 4.06Å; T76-Y78 HydrophobicContact CG2-CE1 4.36Å; T76-Y78 HydrophobicContact CG2-CE2 3.27Å; T76-Y78 VanDerWaalsContact CG2-CZ 3.45Å; T76-Y78 WeakPolarHBondContact CG2-OH 3.28Å
79	Y	98.8	Very high	98	Very high	56 Å²	56	57 Å²	57	22%	0.22	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.9	177.1	-62.1	-78.8	0	0	0	109.6	W66 A68 I77 F87 T88 I89	W66-Y79 VanDerWaalsContact CZ3-C 3.42Å; A68-Y79 HydrophobicContact CB-CD1 3.76Å; A68-Y79 HydrophobicContact CB-CE1 4.04Å; I77-Y79 HydrophobicContact CG2-CD2 4.17Å; I77-Y79 HydrophobicContact CG2-CE1 4.36Å; I77-Y79 HydrophobicContact CG2-CE2 3.39Å; I77-Y79 WeakPolarHBondContact CG2-OH 3.44Å; Y79-F87 WeakPolarHBondContact CE1-O 3.28Å; Y79-T88 WeakPolarHBondContact OH-CA 3.31Å; Y79-I89 HydrophobicContact CE1-CB 4.25Å; Y79-I89 HydrophobicContact CE1-CG2 3.82Å; Y79-I89 PolarHBondContact OH-N 3.31Å; Y79-I89 VanDerWaalsContact OH-N 3.12Å
80	A	98.3	Very high	98	Very high	13 Å²	13	56.9 Å²	56.9	11%	0.107	34%	0.343	C	S	.	.			trans	-64.9	144.3	167	0	0	0	0	0	110.1	W66 V67 T82 V83 K84	W66-A80 HydrophobicContact CE3-CB 3.95Å; W66-A80 HydrophobicContact CZ3-CB 4Å; W66-A80 VanDerWaalsContact O-CB 3.28Å; W66-A80 WeakPolarHBondContact O-CB 3.5Å; V67-A80 PolarHBondContact O-N 2.82Å; A80-T82 PolarHBondContact O-N 3.06Å; A80-T82 VanDerWaalsContact O-N 3.12Å; A80-V83 HydrophobicContact CB-CG2 4.21Å; A80-V83 WeakPolarHBondContact O-CG2 3.33Å; A80-V83 PolarHBondContact O-N 2.98Å; A80-K84 PolarHBondContact O-N 2Å
81	D	97.9	Very high	98	Very high	143 Å²	143	58.1 Å²	58.1	77%	0.765	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.5	-177.2	-70	-32.4	0	0	0	112.4	V83	D81-V83 VanDerWaalsContact C-N 3.25Å; D81-V83 PolarHBondContact O-N 2.87Å
82	T	96.3	Very high	98	Very high	70 Å²	70	59.7 Å²	59.7	43%	0.429	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24	178.3	55.2	0	0	0	0	113.7	E65 A80 R86	E65-T82 PolarHBondContact OE1-OG1 3.37Å; E65-T82 VanDerWaalsContact OE1-OG1 3.12Å; A80-T82 PolarHBondContact O-N 3.06Å; A80-T82 VanDerWaalsContact O-N 3.12Å; T82-R86 PolarHBondContact O-NH2 2.89Å
83	V	97.9	Very high	98	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-8.3	-175.7	-56	0	0	0	0	113.7	V67 A80 D81 G85 R86 F87	V67-V83 HydrophobicContact CG1-CG1 4.4Å; V67-V83 HydrophobicContact CG1-CG2 4.03Å; V67-V83 WeakPolarHBondContact O-CG2 3.4Å; A80-V83 HydrophobicContact CB-CG2 4.21Å; A80-V83 WeakPolarHBondContact O-CG2 3.33Å; A80-V83 PolarHBondContact O-N 2.98Å; D81-V83 VanDerWaalsContact C-N 3.25Å; D81-V83 PolarHBondContact O-N 2.87Å; V83-G85 PolarHBondContact O-N 3.19Å; V83-R86 PolarHBondContact O-N 2.93Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.32Å; V83-F87 HydrophobicContact CB-CD2 3.52Å; V83-F87 HydrophobicContact CB-CE2 3.9Å; V83-F87 HydrophobicContact CB-CG 3.74Å; V83-F87 HydrophobicContact CB-CZ 4.43Å; V83-F87 HydrophobicContact CG1-CD2 3.62Å; V83-F87 HydrophobicContact CG1-CE2 3.45Å; V83-F87 VanDerWaalsContact CG1-CE2 3.45Å; V83-F87 HydrophobicContact CG1-CG 4.26Å; V83-F87 HydrophobicContact CG1-CZ 3.97Å; V83-F87 HydrophobicContact CG2-CB 4.3Å; V83-F87 HydrophobicContact CG2-CD2 3.98Å; V83-F87 HydrophobicContact CG2-CG 4.33Å; V83-F87 PolarHBondContact O-N 3.02Å
84	K	97.5	Very high	98	Very high	140 Å²	140	62 Å²	62	61%	0.609	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.3	-179.1	-168.4	173.8	-175.3	175.7	0	110.8	A80 R86	A80-K84 PolarHBondContact O-N 2Å; K84-R86 PolarHBondContact O-N 3.36Å
85	G	97.6	Very high	98	Very high	78 Å²	78	66.3 Å²	66.3	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-5.2	-177.1	0	0	0	0	0	115.3	V83	V83-G85 PolarHBondContact O-N 3.19Å
86	R	97.7	Very high	98.1	Very high	24 Å²	24	64.2 Å²	64.2	9%	0.091	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-35.8	176.7	-61.3	-170.3	-58.9	112.7	0.2	112.6	T82 V83 K84 T103 S104 D109	T82-R86 PolarHBondContact O-NH2 2.89Å; V83-R86 PolarHBondContact O-N 2.93Å; K84-R86 PolarHBondContact O-N 3.36Å; R86-T103 WeakPolarHBondContact CB-O 3.46Å; R86-T103 PolarHBondContact O-N 3.08Å; R86-T103 PolarHBondContact O-OG1 2.79Å; R86-S104 PolarHBondContact NH1-O 3.16Å; R86-D109 IonicContact CZ-OD1 3.91Å; R86-D109 IonicContact CZ-OD2 2.8Å; R86-D109 IonicContact NH1-OD1 3.09Å; R86-D109 IonicContact NH1-OD2 3.27Å; R86-D109 PolarHBondContact NH1-OD2 3.05Å; R86-D109 IonicContact NH2-OD1 2.87Å; R86-D109 PolarHBondContact NH2-OD1 3.33Å; R86-D109 IonicContact NH2-OD2 3.92Å; R86-D109 PolarHBondContact NH2-OD2 2.78Å
87	F	98.5	Very high	98.1	Very high	3 Å²	3	62.8 Å²	62.8	1%	0.013	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.8	-179.7	-67	8.5	0	0	0	110.8	V67 Y79 V83 L100 Q101 M102 L105 D109 Y113	V67-F87 HydrophobicContact CG1-CD2 3.75Å; V67-F87 HydrophobicContact CG1-CE2 4.12Å; Y79-F87 WeakPolarHBondContact CE1-O 3.28Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.32Å; V83-F87 HydrophobicContact CB-CD2 3.52Å; V83-F87 HydrophobicContact CB-CE2 3.9Å; V83-F87 HydrophobicContact CB-CG 3.74Å; V83-F87 HydrophobicContact CB-CZ 4.43Å; V83-F87 HydrophobicContact CG1-CD2 3.62Å; V83-F87 HydrophobicContact CG1-CE2 3.45Å; V83-F87 VanDerWaalsContact CG1-CE2 3.45Å; V83-F87 HydrophobicContact CG1-CG 4.26Å; V83-F87 HydrophobicContact CG1-CZ 3.97Å; V83-F87 HydrophobicContact CG2-CB 4.3Å; V83-F87 HydrophobicContact CG2-CD2 3.98Å; V83-F87 HydrophobicContact CG2-CG 4.33Å; V83-F87 PolarHBondContact O-N 3.02Å; F87-L100 HydrophobicContact CB-CD1 4.21Å; F87-L100 HydrophobicContact CD2-CD1 4.43Å; F87-L100 HydrophobicContact CD2-CD2 4.12Å; F87-L100 HydrophobicContact CD2-CG 4.45Å; F87-Q101 CarbonylContact C-O 3.48Å; F87-Q101 VanDerWaalsContact CA-O 3.24Å; F87-Q101 WeakPolarHBondContact CA-O 3.43Å; F87-M102 HydrophobicContact CD1-CB 3.73Å; F87-M102 HydrophobicContact CD1-CG 3.75Å; F87-M102 HydrophobicContact CD2-CG 3.97Å; F87-M102 HydrophobicContact CD2-SD 4.28Å; F87-M102 HydrophobicContact CE1-CB 3.65Å; F87-M102 HydrophobicContact CE1-CG 3.77Å; F87-M102 HydrophobicContact CE1-SD 4.21Å; F87-M102 HydrophobicContact CE2-CG 3.97Å; F87-M102 HydrophobicContact CE2-SD 3.77Å; F87-M102 HydrophobicContact CG-CB 4.35Å; F87-M102 HydrophobicContact CG-CG 3.88Å; F87-M102 HydrophobicContact CZ-CB 4.18Å; F87-M102 HydrophobicContact CZ-CG 3.87Å; F87-M102 HydrophobicContact CZ-SD 3.73Å; F87-L105 HydrophobicContact CE1-CD2 3.93Å; F87-L105 HydrophobicContact CZ-CD2 4.02Å; F87-D109 HydrophobicContact CZ-CB 4.09Å; F87-Y113 HydrophobicContact CE2-CE1 4.18Å
88	T	98.6	Very high	98.1	Very high	75 Å²	75	59.5 Å²	59.5	46%	0.46	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	116	177.4	-56.4	0	0	0	0	109.5	Y79 Q101	Y79-T88 WeakPolarHBondContact OH-CA 3.31Å; T88-Q101 PolarHBondContact N-O 2.89Å; T88-Q101 PolarHBondContact O-N 3.12Å
89	I	98.8	Very high	98.1	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	138.7	174.4	-169.6	173	0	0	0	108.9	A68 I70 I77 Y79 L98 F99 L100	A68-I89 HydrophobicContact CB-CB 4Å; A68-I89 HydrophobicContact CB-CD1 3.99Å; A68-I89 HydrophobicContact CB-CG2 4.14Å; I70-I89 HydrophobicContact CB-CD1 3.95Å; I70-I89 HydrophobicContact CB-CG1 4.19Å; I70-I89 HydrophobicContact CB-CG2 4.08Å; I70-I89 HydrophobicContact CG2-CD1 3.59Å; I70-I89 HydrophobicContact CG2-CG1 3.89Å; I77-I89 HydrophobicContact CG2-CG2 3.61Å; Y79-I89 HydrophobicContact CE1-CB 4.25Å; Y79-I89 HydrophobicContact CE1-CG2 3.82Å; Y79-I89 PolarHBondContact OH-N 3.31Å; Y79-I89 VanDerWaalsContact OH-N 3.12Å; I89-L98 HydrophobicContact CD1-CD1 4.08Å; I89-L98 HydrophobicContact CG1-CD1 4.05Å; I89-F99 WeakPolarHBondContact CA-O 3.33Å; I89-L100 HydrophobicContact CB-CD1 4.28Å
90	S	98.6	Very high	98.1	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	164	173.7	54.9	0	0	0	0	110	F99	S90-F99 PolarHBondContact N-O 2.94Å; S90-F99 PolarHBondContact O-N 3.12Å
91	R	98.5	Very high	98.1	Very high	29 Å²	29	54.5 Å²	54.5	11%	0.109	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.6	-177.3	64.9	-176.2	-67.4	155.6	1.2	111.5	F48 Y51 I70 S71 S72 S74 N93 T97 L98	F48-R91 HydrophobicContact CE1-CB 4.25Å; F48-R91 VanDerWaalsContact CE1-NH2 3.3Å; F48-R91 HydrophobicContact CZ-CB 4.24Å; F48-R91 PolarHBondContact O-NH2 2.9Å; Y51-R91 PolarHBondContact O-NH1 3.12Å; Y51-R91 PolarHBondContact O-NH2 3.5Å; I70-R91 HydrophobicContact CD1-CB 4.48Å; I70-R91 HydrophobicContact CD1-CG 3.89Å; I70-R91 HydrophobicContact CG1-CG 4.4Å; S71-R91 WeakPolarHBondContact O-CD 3.41Å; S71-R91 PolarHBondContact O-NH1 2.89Å; S72-R91 VanDerWaalsContact CA-NH1 3.25Å; S74-R91 WeakPolarHBondContact OG-CD 3.37Å; S74-R91 WeakPolarHBondContact OG-CG 3.21Å; R91-N93 VanDerWaalsContact CZ-OD1 3.22Å; R91-N93 PolarHBondContact NE-OD1 2.89Å; R91-N93 PolarHBondContact NH2-OD1 3Å; R91-T97 CarbonylContact C-O 3.46Å; R91-T97 WeakPolarHBondContact CA-O 3.39Å; R91-L98 HydrophobicContact CB-CD1 4.06Å
92	D	98.2	Very high	98.1	Very high	41 Å²	41	47.9 Å²	47.9	22%	0.219	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	104.5	172.3	-175.6	-22.4	0	0	0	108.3	A94 K95 N96 T97 F99	D92-A94 VanDerWaalsContact C-N 3.31Å; D92-A94 PolarHBondContact O-N 2.91Å; D92-A94 WeakPolarHBondContact OD1-CB 3.33Å; D92-A94 PolarHBondContact OD1-N 2.99Å; D92-K95 HydrophobicContact CB-CB 4.27Å; D92-K95 PolarHBondContact O-N 2.86Å; D92-K95 PolarHBondContact OD1-N 3.04Å; D92-K95 VanDerWaalsContact OD1-N 3.16Å; D92-K95 WeakPolarHBondContact OD2-CD 3.49Å; D92-K95 VanDerWaalsContact OD2-CE 3.31Å; D92-K95 WeakPolarHBondContact OD2-CE 3.27Å; D92-K95 WeakPolarHBondContact OD2-CG 3.43Å; D92-K95 IonicContact OD2-NZ 2.97Å; D92-K95 PolarHBondContact OD2-NZ 3.16Å; D92-N96 PolarHBondContact O-N 3.37Å; D92-T97 PolarHBondContact N-O 2.84Å; D92-T97 PolarHBondContact O-N 2.87Å; D92-F99 HydrophobicContact CB-CE2 4.03Å
93	N	97.8	Very high	98.2	Very high	61 Å²	61	46.9 Å²	46.9	33%	0.326	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.1	-178	-73.4	-13.3	0	0	0	112.7	F48 S72 R91 K95 N96	F48-N93 WeakPolarHBondContact CD1-OD1 3.42Å; F48-N93 WeakPolarHBondContact CE1-OD1 3.48Å; S72-N93 PolarHBondContact O-ND2 2.93Å; R91-N93 VanDerWaalsContact CZ-OD1 3.22Å; R91-N93 PolarHBondContact NE-OD1 2.89Å; R91-N93 PolarHBondContact NH2-OD1 3Å; N93-K95 VanDerWaalsContact C-N 3.3Å; N93-N96 PolarHBondContact O-OD1 3.36Å
94	A	97.6	Very high	98.1	Very high	96 Å²	96	50.1 Å²	50.1	79%	0.793	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.7	177.5	0	0	0	0	0	111.6	D92	D92-A94 VanDerWaalsContact C-N 3.31Å; D92-A94 PolarHBondContact O-N 2.91Å; D92-A94 WeakPolarHBondContact OD1-CB 3.33Å; D92-A94 PolarHBondContact OD1-N 2.99Å
95	K	97.7	Very high	98.1	Very high	143 Å²	143	44.1 Å²	44.1	62%	0.622	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	2.7	178	-61.3	-175.9	-166.9	127.9	0	114.1	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.27Å; D92-K95 PolarHBondContact O-N 2.86Å; D92-K95 PolarHBondContact OD1-N 3.04Å; D92-K95 VanDerWaalsContact OD1-N 3.16Å; D92-K95 WeakPolarHBondContact OD2-CD 3.49Å; D92-K95 VanDerWaalsContact OD2-CE 3.31Å; D92-K95 WeakPolarHBondContact OD2-CE 3.27Å; D92-K95 WeakPolarHBondContact OD2-CG 3.43Å; D92-K95 IonicContact OD2-NZ 2.97Å; D92-K95 PolarHBondContact OD2-NZ 3.16Å; N93-K95 VanDerWaalsContact C-N 3.3Å; K95-T97 PolarHBondContact O-N 3.15Å; K95-T97 VanDerWaalsContact O-N 3.15Å; K95-T97 PolarHBondContact O-OG1 3.04Å
96	N	97.8	Very high	98.1	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	42.9	-172.8	-58.1	-31.1	0	0	0	112.6	A43 F48 D92 N93	A43-N96 HydrophobicContact CB-CB 4.49Å; A43-N96 PolarHBondContact N-O 2.8Å; A43-N96 VanDerWaalsContact O-CB 3.27Å; A43-N96 WeakPolarHBondContact O-CB 3.34Å; F48-N96 HydrophobicContact CB-CB 3.87Å; F48-N96 WeakPolarHBondContact CB-OD1 3.33Å; F48-N96 HydrophobicContact CD1-CB 4.39Å; F48-N96 HydrophobicContact CG-CB 4.1Å; D92-N96 PolarHBondContact O-N 3.37Å; N93-N96 PolarHBondContact O-OD1 3.36Å
97	T	98.6	Very high	97.9	Very high	20 Å²	20	49.9 Å²	49.9	12%	0.123	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.3	-172.7	-53.6	0	0	0	0	111.4	C41 R91 D92 K95 F99	C41-T97 CarbonylContact O-C 3.54Å; C41-T97 WeakPolarHBondContact O-CA 3.41Å; R91-T97 CarbonylContact C-O 3.46Å; R91-T97 WeakPolarHBondContact CA-O 3.39Å; D92-T97 PolarHBondContact N-O 2.84Å; D92-T97 PolarHBondContact O-N 2.87Å; K95-T97 PolarHBondContact O-N 3.15Å; K95-T97 VanDerWaalsContact O-N 3.15Å; K95-T97 PolarHBondContact O-OG1 3.04Å; T97-F99 HydrophobicContact CG2-CD1 4.11Å; T97-F99 HydrophobicContact CG2-CD2 4.5Å; T97-F99 HydrophobicContact CG2-CE1 3.47Å; T97-F99 VanDerWaalsContact CG2-CE1 3.47Å; T97-F99 HydrophobicContact CG2-CE2 3.91Å; T97-F99 HydrophobicContact CG2-CZ 3.35Å
98	L	98.8	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.1	170.4	-171.7	72.1	0	0	0	109.8	S40 C41 F48 M53 W55 I70 I89 R91 C115	S40-L98 CarbonylContact C-O 3.59Å; S40-L98 VanDerWaalsContact CA-O 3.3Å; S40-L98 WeakPolarHBondContact CA-O 3.3Å; C41-L98 HydrophobicContact CB-CB 4.15Å; C41-L98 PolarHBondContact N-O 3.35Å; C41-L98 PolarHBondContact O-N 3.49Å; F48-L98 HydrophobicContact CE2-CB 4.42Å; F48-L98 HydrophobicContact CZ-CB 4.23Å; M53-L98 HydrophobicContact CB-CD1 3.76Å; M53-L98 HydrophobicContact CB-CD2 3.79Å; M53-L98 HydrophobicContact CB-CG 4.34Å; M53-L98 HydrophobicContact CG-CD1 4.42Å; W55-L98 HydrophobicContact CD2-CD2 4.42Å; W55-L98 HydrophobicContact CG-CD2 4.35Å; W55-L98 HydrophobicContact CZ2-CD2 4.4Å; W55-L98 VanDerWaalsContact NE1-CD2 3.29Å; I70-L98 HydrophobicContact CG2-CD1 3.56Å; I89-L98 HydrophobicContact CD1-CD1 4.08Å; I89-L98 HydrophobicContact CG1-CD1 4.05Å; R91-L98 HydrophobicContact CB-CD1 4.06Å; L98-C115 HydrophobicContact CD2-CB 3.9Å
99	F	98.7	Very high	97.6	Very high	38 Å²	38	52.1 Å²	52.1	17%	0.167	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.1	178.7	-57.4	-75.7	0	0	0	111.5	L39 I89 S90 D92 T97	L39-F99 VanDerWaalsContact O-CA 3.28Å; L39-F99 WeakPolarHBondContact O-CA 3.45Å; I89-F99 WeakPolarHBondContact CA-O 3.33Å; S90-F99 PolarHBondContact N-O 2.94Å; S90-F99 PolarHBondContact O-N 3.12Å; D92-F99 HydrophobicContact CB-CE2 4.03Å; T97-F99 HydrophobicContact CG2-CD1 4.11Å; T97-F99 HydrophobicContact CG2-CD2 4.5Å; T97-F99 HydrophobicContact CG2-CE1 3.47Å; T97-F99 VanDerWaalsContact CG2-CE1 3.47Å; T97-F99 HydrophobicContact CG2-CE2 3.91Å; T97-F99 HydrophobicContact CG2-CZ 3.35Å
100	L	98.8	Very high	97.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	105.8	167.7	-170	67	0	0	0	109.1	K38 L39 W55 V67 A68 F87 I89 M102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.29Å; L39-L100 HydrophobicContact CB-CB 4.21Å; L39-L100 HydrophobicContact CD1-CD2 4.32Å; L39-L100 PolarHBondContact N-O 3.35Å; L39-L100 PolarHBondContact O-N 3.25Å; W55-L100 HydrophobicContact CB-CD2 4.29Å; W55-L100 HydrophobicContact CD2-CB 4.17Å; W55-L100 HydrophobicContact CD2-CD2 4.24Å; W55-L100 HydrophobicContact CG-CB 4.22Å; W55-L100 HydrophobicContact CG-CD1 4.38Å; W55-L100 HydrophobicContact CG-CD2 4.03Å; W55-L100 HydrophobicContact CG-CG 4.46Å; W55-L100 HydrophobicContact CZ2-CB 4.28Å; V67-L100 HydrophobicContact CG1-CD2 4.16Å; A68-L100 HydrophobicContact CB-CD1 4.4Å; F87-L100 HydrophobicContact CB-CD1 4.21Å; F87-L100 HydrophobicContact CD2-CD1 4.43Å; F87-L100 HydrophobicContact CD2-CD2 4.12Å; F87-L100 HydrophobicContact CD2-CG 4.45Å; I89-L100 HydrophobicContact CB-CD1 4.28Å; L100-M102 HydrophobicContact CD2-CG 4.06Å; L100-M102 HydrophobicContact CD2-SD 3.9Å; L100-M102 HydrophobicContact CG-CG 3.93Å; L100-M102 HydrophobicContact CG-SD 4.4Å; L100-Y113 HydrophobicContact CD2-CD1 3.91Å; L100-Y113 HydrophobicContact CD2-CE1 3.89Å
101	Q	98.5	Very high	97.4	Very high	69 Å²	69	55.6 Å²	55.6	32%	0.322	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.8	170.3	-174.6	66.3	28.3	0	0	108.5	F87 T88 T103	F87-Q101 CarbonylContact C-O 3.48Å; F87-Q101 VanDerWaalsContact CA-O 3.24Å; F87-Q101 WeakPolarHBondContact CA-O 3.43Å; T88-Q101 PolarHBondContact N-O 2.89Å; T88-Q101 PolarHBondContact O-N 3.12Å; Q101-T103 HydrophobicContact CG-CG2 4.45Å
102	M	98.4	Very high	97.3	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130	-179.8	-58.3	-177.4	-63.9	0	0	108.9	S36 L37 L39 F87 L100 L105 Y113	S36-M102 CarbonylContact C-O 3.59Å; S36-M102 WeakPolarHBondContact CA-O 3.42Å; S36-M102 VanDerWaalsContact CB-O 3.26Å; S36-M102 WeakPolarHBondContact CB-O 3.49Å; L37-M102 HydrophobicContact CB-CE 3.54Å; L37-M102 HydrophobicContact CD1-CE 4.16Å; L37-M102 PolarHBondContact N-O 3.35Å; L37-M102 PolarHBondContact O-N 3.09Å; L39-M102 HydrophobicContact CD1-CE 3.79Å; L39-M102 HydrophobicContact CD1-SD 4.23Å; L39-M102 HydrophobicContact CD2-CE 3.87Å; L39-M102 HydrophobicContact CG-CE 3.56Å; L39-M102 HydrophobicContact CG-SD 4.44Å; F87-M102 HydrophobicContact CD1-CB 3.73Å; F87-M102 HydrophobicContact CD1-CG 3.75Å; F87-M102 HydrophobicContact CD2-CG 3.97Å; F87-M102 HydrophobicContact CD2-SD 4.28Å; F87-M102 HydrophobicContact CE1-CB 3.65Å; F87-M102 HydrophobicContact CE1-CG 3.77Å; F87-M102 HydrophobicContact CE1-SD 4.21Å; F87-M102 HydrophobicContact CE2-CG 3.97Å; F87-M102 HydrophobicContact CE2-SD 3.77Å; F87-M102 HydrophobicContact CG-CB 4.35Å; F87-M102 HydrophobicContact CG-CG 3.88Å; F87-M102 HydrophobicContact CZ-CB 4.18Å; F87-M102 HydrophobicContact CZ-CG 3.87Å; F87-M102 HydrophobicContact CZ-SD 3.73Å; L100-M102 HydrophobicContact CD2-CG 4.06Å; L100-M102 HydrophobicContact CD2-SD 3.9Å; L100-M102 HydrophobicContact CG-CG 3.93Å; L100-M102 HydrophobicContact CG-SD 4.4Å; M102-L105 HydrophobicContact CB-CD1 4.35Å; M102-L105 HydrophobicContact CB-CD2 3.91Å; M102-L105 HydrophobicContact CB-CG 4.2Å; M102-L105 HydrophobicContact SD-CD2 4.28Å; M102-Y113 HydrophobicContact SD-CE1 4.07Å
103	T	97.3	Very high	97.3	Very high	50 Å²	50	59 Å²	59	31%	0.307	32%	0.321	S	S	.	.			trans	-130.3	158.6	178.2	67.1	0	0	0	0	110	R86 Q101 L105	R86-T103 WeakPolarHBondContact CB-O 3.46Å; R86-T103 PolarHBondContact O-N 3.08Å; R86-T103 PolarHBondContact O-OG1 2.79Å; Q101-T103 HydrophobicContact CG-CG2 4.45Å; T103-L105 PolarHBondContact O-N 3.02Å
104	S	97	Very high	97.4	Very high	67 Å²	67	60.2 Å²	60.2	47%	0.469	32%	0.322	S	S	.	.	S	Bend	trans	50.7	47.9	-179.5	-54.5	0	0	0	0	111.6	G35 R86	G35-S104 PolarHBondContact O-N 3.42Å; R86-S104 PolarHBondContact NH1-O 3.16Å
105	L	97.6	Very high	97.4	Very high	14 Å²	14	56 Å²	56	7%	0.073	29%	0.287	C	S	.	.			trans	-61.4	137.3	-176.4	-81	163.3	0	0	0	110.9	V31 G34 G35 L37 F87 M102 T103 D109	V31-L105 HydrophobicContact CG2-CD1 3.47Å; V31-L105 VanDerWaalsContact CG2-CD1 3.47Å; G34-L105 PolarHBondContact N-O 3.18Å; G35-L105 PolarHBondContact O-N 3.47Å; L37-L105 HydrophobicContact CB-CD1 3.95Å; L37-L105 HydrophobicContact CD1-CD1 3.91Å; L37-L105 HydrophobicContact CG-CD1 3.89Å; F87-L105 HydrophobicContact CE1-CD2 3.93Å; F87-L105 HydrophobicContact CZ-CD2 4.02Å; M102-L105 HydrophobicContact CB-CD1 4.35Å; M102-L105 HydrophobicContact CB-CD2 3.91Å; M102-L105 HydrophobicContact CB-CG 4.2Å; M102-L105 HydrophobicContact SD-CD2 4.28Å; T103-L105 PolarHBondContact O-N 3.02Å; L105-D109 HydrophobicContact CD2-CB 3.7Å
106	R	96.2	Very high	97.4	Very high	141 Å²	141	51 Å²	51	53%	0.532	27%	0.271	S	S	.	.			trans	-113.7	168.2	179.3	-52.1	177.4	176.8	170.3	-2.1	110.2	E108 D109	R106-E108 WeakPolarHBondContact CB-OE2 3.24Å; R106-E108 PolarHBondContact O-N 3.24Å; R106-D109 PolarHBondContact N-OD2 3.34Å; R106-D109 WeakPolarHBondContact O-CB 3.49Å; R106-D109 PolarHBondContact O-N 3.16Å
107	S	94.2	Very high	97.2	Very high	82 Å²	82	54 Å²	54	57%	0.573	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-60	-32.8	178.8	77.9	0	0	0	0	112	D109 T110	S107-D109 PolarHBondContact O-N 2.83Å; S107-T110 WeakPolarHBondContact O-CB 3.28Å; S107-T110 PolarHBondContact O-N 2.81Å; S107-T110 PolarHBondContact O-OG1 3.05Å
108	E	94.2	Very high	97.1	Very high	119 Å²	119	55.8 Å²	55.8	56%	0.556	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-71.9	-12.3	179.7	-50.9	74.7	-150.5	0	0	113.2	R106 T110	R106-E108 WeakPolarHBondContact CB-OE2 3.24Å; R106-E108 PolarHBondContact O-N 3.24Å; E108-T110 VanDerWaalsContact C-N 3.27Å
109	D	96.5	Very high	97	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-85.2	-1.3	174.9	-57.5	-47.6	0	0	0	113	R57 R86 F87 L105 R106 S107 A111 Y113	R57-D109 IonicContact NH1-OD1 2.86Å; R57-D109 PolarHBondContact NH1-OD1 2.82Å; R86-D109 IonicContact CZ-OD1 3.91Å; R86-D109 IonicContact CZ-OD2 2.8Å; R86-D109 IonicContact NH1-OD1 3.09Å; R86-D109 IonicContact NH1-OD2 3.27Å; R86-D109 PolarHBondContact NH1-OD2 3.05Å; R86-D109 IonicContact NH2-OD1 2.87Å; R86-D109 PolarHBondContact NH2-OD1 3.33Å; R86-D109 IonicContact NH2-OD2 3.92Å; R86-D109 PolarHBondContact NH2-OD2 2.78Å; F87-D109 HydrophobicContact CZ-CB 4.09Å; L105-D109 HydrophobicContact CD2-CB 3.7Å; R106-D109 PolarHBondContact N-OD2 3.34Å; R106-D109 WeakPolarHBondContact O-CB 3.49Å; R106-D109 PolarHBondContact O-N 3.16Å; S107-D109 PolarHBondContact O-N 2.83Å; D109-A111 PolarHBondContact O-N 3.43Å; D109-A111 VanDerWaalsContact O-N 3.1Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.25Å
110	T	95.8	Very high	96.9	Very high	101 Å²	101	59.8 Å²	59.8	62%	0.62	31%	0.309	S	S	*	.			trans	-71.5	104.3	176.6	-51.8	0	0	0	0	109.9	S107 E108	S107-T110 WeakPolarHBondContact O-CB 3.28Å; S107-T110 PolarHBondContact O-N 2.81Å; S107-T110 PolarHBondContact O-OG1 3.05Å; E108-T110 VanDerWaalsContact C-N 3.27Å
111	A	96.9	Very high	96.8	Very high	25 Å²	25	63.4 Å²	63.4	21%	0.207	33%	0.327	C	S	.	.	S	Bend	trans	-158.1	165.1	-177.9	0	0	0	0	0	111.1	R57 Q58 A59 D109 Y113	R57-A111 HydrophobicContact CB-CB 3.87Å; R57-A111 HydrophobicContact CG-CB 4.16Å; Q58-A111 WeakPolarHBondContact O-CA 3.47Å; Q58-A111 WeakPolarHBondContact O-CB 3.44Å; A59-A111 HydrophobicContact CB-CB 4.33Å; D109-A111 PolarHBondContact O-N 3.43Å; D109-A111 VanDerWaalsContact O-N 3.1Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.93Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 3.2Å
112	M	97.5	Very high	96.7	Very high	117 Å²	117	63 Å²	63	58%	0.576	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.3	160.3	-65.8	-57.3	-62.4	0	0	108.8	R57 Q58 Y114	R57-M112 CarbonylContact C-O 3.43Å; R57-M112 WeakPolarHBondContact CA-O 3.38Å; Q58-M112 PolarHBondContact N-O 2.89Å; Q58-M112 PolarHBondContact O-N 2.95Å; M112-Y114 HydrophobicContact CB-CE2 3.75Å; M112-Y114 WeakPolarHBondContact CB-OH 3.22Å
113	Y	98.3	Very high	96.6	Very high	25 Å²	25	66.9 Å²	66.9	10%	0.098	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.1	-179.9	-77.3	-104.9	0	0	0	109.7	L39 W55 V56 R57 V67 F87 L100 M102 D109 A111	L39-Y113 VanDerWaalsContact CD1-CB 3.47Å; L39-Y113 HydrophobicContact CD1-CD1 3.8Å; L39-Y113 HydrophobicContact CD1-CD2 4.05Å; L39-Y113 HydrophobicContact CD1-CG 3.51Å; W55-Y113 HydrophobicContact CE3-CD1 4.5Å; V56-Y113 WeakPolarHBondContact O-CA 3.25Å; R57-Y113 HydrophobicContact CB-CD1 3.88Å; R57-Y113 HydrophobicContact CB-CD2 4.29Å; R57-Y113 HydrophobicContact CB-CE1 3.84Å; R57-Y113 HydrophobicContact CB-CE2 4.23Å; R57-Y113 HydrophobicContact CB-CG 4.11Å; R57-Y113 PolarHBondContact NH1-OH 3.02Å; V67-Y113 HydrophobicContact CG1-CE1 4.38Å; V67-Y113 HydrophobicContact CG2-CE1 4.13Å; F87-Y113 HydrophobicContact CE2-CE1 4.18Å; L100-Y113 HydrophobicContact CD2-CD1 3.91Å; L100-Y113 HydrophobicContact CD2-CE1 3.89Å; M102-Y113 HydrophobicContact SD-CE1 4.07Å; D109-Y113 WeakPolarHBondContact O-CE2 3.43Å; D109-Y113 PolarHBondContact O-OH 3.25Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.93Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 3.2Å
114	Y	98.3	Very high	96.6	Very high	87 Å²	87	68.1 Å²	68.1	34%	0.341	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.9	-178.9	-53.2	-75.6	0	0	0	109.1	E25 V56 Q58 M112	E25-Y114 WeakPolarHBondContact OE1-CA 3.46Å; V56-Y114 PolarHBondContact N-O 3.49Å; V56-Y114 PolarHBondContact O-N 3.07Å; V56-Y114 VanDerWaalsContact O-O 3.1Å; Q58-Y114 HydrophobicContact CB-CE2 4.14Å; M112-Y114 HydrophobicContact CB-CE2 3.75Å; M112-Y114 WeakPolarHBondContact CB-OH 3.22Å
115	C	98.2	Very high	96.5	Very high	8 Å²	8	68.2 Å²	68.2	5%	0.054	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	149.4	166.4	55.2	0	0	0	0	109.7	L23 E25 C41 H54 W55 L98	L23-C115 WeakPolarHBondContact CD1-O 3.48Å; E25-C115 PolarHBondContact OE1-N 3.09Å; E25-C115 PolarHBondContact OE1-SG 3.17Å; C41-C115 HydrophobicContact CB-CB 3.47Å; C41-C115 VanDerWaalsContact CB-CB 3.47Å; C41-C115 WeakPolarHBondContact CB-SG 3.35Å; C41-C115 WeakPolarHBondContact SG-CB 3.49Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 3.21Å; H54-C115 CarbonylContact O-C 3.54Å; H54-C115 VanDerWaalsContact O-CA 3.28Å; H54-C115 WeakPolarHBondContact O-CA 3.39Å; W55-C115 HydrophobicContact CD2-CB 4.46Å; W55-C115 HydrophobicContact CE3-CB 4.33Å; W55-C115 HydrophobicContact CH2-CB 4.34Å; W55-C115 HydrophobicContact CZ2-CB 4.46Å; W55-C115 HydrophobicContact CZ3-CB 4.27Å; L98-C115 HydrophobicContact CD2-CB 3.9Å
116	A	97.8	Very high	96.4	Very high	36 Å²	36	72.8 Å²	72.8	30%	0.298	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.9	177.3	0	0	0	0	0	110.1	M53 H54	M53-A116 WeakPolarHBondContact CA-O 3.02Å; M53-A116 WeakPolarHBondContact CE-O 3.44Å; H54-A116 HydrophobicContact CB-CB 4.36Å; H54-A116 PolarHBondContact N-O 3.41Å; H54-A116 PolarHBondContact O-N 3.12Å
117	R	93.5	Very high	96.5	Very high	125 Å²	125	66.5 Å²	66.5	47%	0.472	35%	0.348	S	S	.	.			trans	-89.9	0	171.5	-174.1	-177.6	75.7	179.7	-4.5	110.1	F46 Y51 M53	F46-R117 VanDerWaalsContact CB-NH1 3.29Å; F46-R117 HydrophobicContact CE2-CG 4.04Å; F46-R117 VanDerWaalsContact CG-NH1 3.3Å; F46-R117 HydrophobicContact CZ-CB 4.48Å; F46-R117 HydrophobicContact CZ-CG 4.39Å; Y51-R117 VanDerWaalsContact CB-CG 3.48Å; Y51-R117 HydrophobicContact CD1-CG 3.58Å; Y51-R117 HydrophobicContact CD2-CG 4.27Å; Y51-R117 HydrophobicContact CE1-CG 4.37Å; Y51-R117 HydrophobicContact CG-CG 3.52Å; M53-R117 HydrophobicContact CE-CB 4.18Å; M53-R117 HydrophobicContact SD-CB 3.96Å; M53-R117 HydrophobicContact SD-CG 4.03Å

Retrieved 117 of 117 residues in 128.8 ms (Link to these results)

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