A0A075B5L1_MOUSE Loading...

Immunoglobulin kappa variable 10-94

AlphaFold DB , UniProt , Accession A0A075B5L1, Species MOUSE (Mus musculus, Mouse), Gene Igkv10-94, Length 115 aa.

						>A0A075B5L1_MOUSE|A0A075B5L1|Igkv10-94
MMSSAQFLGLLLLCFQGTRCDIQMTQTTSSLSASLGDRVTISCSASQGISNYLNWYQQKPDGTVKLLIYYTSSLHSGVPSRFSGSGSGTDYSLTISNLEPEDIATYYCQQYSKLP
					

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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	50.2	Low	58.3	Low	249 Å²	249	148.7 Å²	148.7	100%	1.227	83%	0.829	S	S	*	*				0	116	0	-82.7	172.4	-109.8	0	0	107.5
2	M	47.8	Very low	59	Low	193 Å²	193	149.1 Å²	149.1	95%	0.951	83%	0.827	S	S	*	*			trans	-75.4	139.1	-171.7	-70	153	61	0	0	111.5
3	S	46.9	Very low	59.4	Low	117 Å²	117	147.2 Å²	147.2	82%	0.818	81%	0.814	S	S	*	*			trans	-69.9	143	170.3	173.2	0	0	0	0	110.8
4	S	52.9	Low	59.7	Low	106 Å²	106	145.1 Å²	145.1	74%	0.741	81%	0.812	S	S	*	*			trans	-138.6	95.6	160.3	-167.9	0	0	0	0	108.7
5	A	57.9	Low	59.7	Low	71 Å²	71	148 Å²	148	59%	0.587	81%	0.813	S	S	*	*			trans	-82.3	112.8	163.7	0	0	0	0	0	107.5	F7	A5-F7 PolarHBondContact O-N 2.74Å
6	Q	59.6	Low	59.2	Low	176 Å²	176	149.7 Å²	149.7	82%	0.822	81%	0.813	S	S	*	*			trans	-81.6	106.8	175.3	-66.9	-173.9	-14.8	0	0	109.2	L8	Q6-L8 PolarHBondContact O-N 3.44Å
7	F	63.4	Low	58.9	Low	196 Å²	196	144.7 Å²	144.7	86%	0.86	81%	0.805	S	S	*	*			trans	-81.7	107.6	165.4	-74.1	-81	0	0	0	108.6	A5 G9	A5-F7 PolarHBondContact O-N 2.74Å; F7-G9 PolarHBondContact O-N 2.99Å
8	L	61.3	Low	58.9	Low	160 Å²	160	143.7 Å²	143.7	84%	0.838	80%	0.803	S	S	*	*			trans	-82.2	100.7	171.7	-151.7	81.4	0	0	0	108.5	Q6	Q6-L8 PolarHBondContact O-N 3.44Å
9	G	69.2	Low	59.1	Low	69 Å²	69	147.2 Å²	147.2	71%	0.711	80%	0.803	S	S	*	*			trans	-78.6	117.9	170.9	0	0	0	0	0	110.6	F7 L11	F7-G9 PolarHBondContact O-N 2.99Å; G9-L11 PolarHBondContact O-N 3.03Å
10	L	67.1	Low	59.8	Low	146 Å²	146	143.6 Å²	143.6	76%	0.764	79%	0.788	S	S	*	*			trans	-77.5	109.4	174.7	-142	87.5	0	0	0	109.3	L12	L10-L12 PolarHBondContact O-N 2.87Å
11	L	65.3	Low	61.2	Low	153 Å²	153	139.8 Å²	139.8	80%	0.801	77%	0.767	S	S	*	*			trans	-77.5	107.1	169.9	-117.3	98	0	0	0	109.1	G9 L13	G9-L11 PolarHBondContact O-N 3.03Å; L11-L13 PolarHBondContact O-N 3.38Å
12	L	66.1	Low	63.2	Low	153 Å²	153	128.9 Å²	128.9	80%	0.801	71%	0.713	S	S	*	*			trans	-77.5	95	168.3	-77.2	158.3	0	0	0	109	L10 C14	L10-L12 PolarHBondContact O-N 2.87Å; L12-C14 PolarHBondContact O-N 3.39Å; L12-C14 VanDerWaalsContact O-N 3.16Å
13	L	65.1	Low	65.4	Low	125 Å²	125	124.7 Å²	124.7	65%	0.654	69%	0.691	S	S	*	*			trans	-74	96.5	167.6	-71.8	162.8	0	0	0	108.5	L11 F15	L11-L13 PolarHBondContact O-N 3.38Å; L13-F15 HydrophobicContact CB-CE2 4.38Å; L13-F15 PolarHBondContact O-N 2.72Å
14	C	63.2	Low	67.7	Low	117 Å²	117	121.8 Å²	121.8	79%	0.791	67%	0.665	S	S	*	*			trans	-65.9	98	166.7	-71.5	0	0	0	0	108.9	L12 Q16	L12-C14 PolarHBondContact O-N 3.39Å; L12-C14 VanDerWaalsContact O-N 3.16Å; C14-Q16 PolarHBondContact O-N 3.02Å
15	F	59	Low	69.8	Low	189 Å²	189	120.5 Å²	120.5	83%	0.829	65%	0.653	S	S	*	*			trans	-67.5	85.5	160.5	-64.8	-80.1	0	0	0	107.6	L13 G17	L13-F15 HydrophobicContact CB-CE2 4.38Å; L13-F15 PolarHBondContact O-N 2.72Å; F15-G17 VanDerWaalsContact C-N 3.29Å; F15-G17 PolarHBondContact O-N 3.45Å
16	Q	52.9	Low	71.6	Confident	175 Å²	175	120.1 Å²	120.1	82%	0.818	64%	0.639	S	S	*	*			trans	-60.8	103.5	157.9	-68.2	-170.7	-24.2	0	0	105.1	C14 T18	C14-Q16 PolarHBondContact O-N 3.02Å; Q16-T18 PolarHBondContact O-N 3.35Å
17	G	53.6	Low	72.5	Confident	65 Å²	65	116.6 Å²	116.6	67%	0.67	63%	0.63	S	S	*	*			trans	-46.2	118.8	-178.5	0	0	0	0	0	108.9	F15 R19	F15-G17 VanDerWaalsContact C-N 3.29Å; F15-G17 PolarHBondContact O-N 3.45Å; G17-R19 VanDerWaalsContact C-N 3.33Å; G17-R19 PolarHBondContact O-N 2.6Å
18	T	58.7	Low	73	Confident	126 Å²	126	110.2 Å²	110.2	77%	0.773	61%	0.607	S	S	*	*			trans	-62.5	98.1	179.1	48.3	0	0	0	0	107.1	Q16 C20	Q16-T18 PolarHBondContact O-N 3.35Å; T18-C20 PolarHBondContact O-N 3.37Å
19	R	63.1	Low	73.8	Confident	210 Å²	210	109.2 Å²	109.2	79%	0.792	61%	0.613	S	S	*	*			trans	-63.8	106.8	168.4	-87.2	-173.2	173.9	-172.2	-3.4	106.7	G17 D21	G17-R19 VanDerWaalsContact C-N 3.33Å; G17-R19 PolarHBondContact O-N 2.6Å; R19-D21 PolarHBondContact O-N 3.02Å
20	C	73.3	Confident	74.5	Confident	75 Å²	75	110.5 Å²	110.5	51%	0.507	61%	0.612	S	S	.	*			trans	-74.3	27.9	177.4	-70	0	0	0	0	113	T18 K113	T18-C20 PolarHBondContact O-N 3.37Å; C20-K113 PolarHBondContact O-NZ 2.95Å
21	D	88.5	Confident	75.5	Confident	65 Å²	65	107.9 Å²	107.9	35%	0.348	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-92	135.1	-176.8	-62.8	-20.6	0	0	0	109.4	R19 Q23	R19-D21 PolarHBondContact O-N 3.02Å; D21-Q23 PolarHBondContact O-N 3.27Å; D21-Q23 PolarHBondContact O-NE2 2.96Å
22	I	92.6	Very high	76.8	Confident	20 Å²	20	106.1 Å²	106.1	10%	0.103	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-73	116.8	175.1	-54.4	-177.1	0	0	0	107.9	M24 A45 Q47 I49 Q110 K113	I22-M24 HydrophobicContact CG2-SD 4.16Å; I22-A45 HydrophobicContact CG2-CB 4.02Å; I22-Q47 HydrophobicContact CG1-CB 4.46Å; I22-I49 HydrophobicContact CD1-CG2 3.61Å; I22-I49 HydrophobicContact CG2-CG2 3.92Å; I22-Q110 HydrophobicContact CB-CG 4.13Å; I22-Q110 HydrophobicContact CG2-CG 3.95Å; I22-K113 HydrophobicContact CD1-CB 3.91Å
23	Q	94.3	Very high	78.1	Confident	105 Å²	105	101 Å²	101	49%	0.491	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-88.2	132	178.7	-58.2	-60.5	-60.4	0	0	108.9	D21 A45 S46	D21-Q23 PolarHBondContact O-N 3.27Å; D21-Q23 PolarHBondContact O-NE2 2.96Å; Q23-A45 CarbonylContact O-C 3.51Å; Q23-A45 WeakPolarHBondContact O-CA 3.24Å; Q23-S46 PolarHBondContact N-OG 2.75Å; Q23-S46 PolarHBondContact O-N 3.25Å
24	M	95.2	Very high	79.7	Confident	55 Å²	55	98.7 Å²	98.7	27%	0.271	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	130.1	174.2	-56.3	-52.2	-60.3	0	0	109.6	I22 C43 S44 A45 I49 L53 Q110	I22-M24 HydrophobicContact CG2-SD 4.16Å; M24-C43 WeakPolarHBondContact CE-SG 3.31Å; M24-S44 CarbonylContact C-O 3.56Å; M24-S44 WeakPolarHBondContact CA-O 3.46Å; M24-A45 HydrophobicContact CE-CB 3.91Å; M24-A45 HydrophobicContact SD-CB 3.78Å; M24-I49 HydrophobicContact CE-CD1 4.17Å; M24-I49 HydrophobicContact SD-CD1 4.49Å; M24-L53 HydrophobicContact CE-CD1 3.74Å; M24-Q110 HydrophobicContact CE-CB 4.28Å; M24-Q110 HydrophobicContact CG-CB 4.49Å; M24-Q110 HydrophobicContact CG-CG 4.06Å; M24-Q110 HydrophobicContact SD-CB 3.6Å; M24-Q110 HydrophobicContact SD-CG 3.46Å; M24-Q110 WeakPolarHBondContact SD-CG 3.47Å
25	T	96.4	Very high	81.3	Confident	79 Å²	79	98.2 Å²	98.2	49%	0.485	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	124.5	179.9	-57.9	0	0	0	0	109.9	C43 S44	T25-C43 CarbonylContact O-C 3.21Å; T25-C43 WeakPolarHBondContact O-CA 3.43Å; T25-S44 PolarHBondContact N-O 2.77Å; T25-S44 PolarHBondContact O-N 3.03Å; T25-S44 PolarHBondContact O-OG 2.74Å
26	Q	95.5	Very high	83.2	Confident	64 Å²	64	91 Å²	91	30%	0.299	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.4	170.6	-75.4	175.4	-143.1	0	0	109.3	T28 S42 C43 Y106 C108	Q26-T28 VanDerWaalsContact C-N 3.34Å; Q26-T28 PolarHBondContact O-N 2.92Å; Q26-S42 WeakPolarHBondContact CA-O 3.3Å; Q26-C43 HydrophobicContact CG-CB 4.08Å; Q26-Y106 PolarHBondContact NE2-O 3.18Å; Q26-Y106 PolarHBondContact OE1-O 2.92Å; Q26-C108 PolarHBondContact OE1-SG 3.41Å
27	T	80	Confident	85.3	Confident	102 Å²	102	86 Å²	86	63%	0.626	52%	0.519	S	S	*	.	S	Bend	trans	-70.6	-23.3	-167.7	42	0	0	0	0	114.6	S42	T27-S42 WeakPolarHBondContact OG1-CB 3.46Å
28	T	73.7	Confident	87.4	Confident	62 Å²	62	91 Å²	91	38%	0.38	52%	0.518	S	S	.	.			trans	-128.4	120.3	178.4	54.6	0	0	0	0	110.6	Q26 S30	Q26-T28 VanDerWaalsContact C-N 3.34Å; Q26-T28 PolarHBondContact O-N 2.92Å; T28-S30 PolarHBondContact O-N 2.88Å
29	S	76.4	Confident	89.2	Confident	138 Å²	138	85.5 Å²	85.5	97%	0.965	48%	0.484	S	S	*	.	S	Bend	trans	-70	-21.8	172.7	56.2	0	0	0	0	112.8
30	S	84.8	Confident	90.8	Very high	97 Å²	97	78.6 Å²	78.6	68%	0.678	47%	0.465	S	S	*	.			trans	-153.3	144.4	174.9	-172.6	0	0	0	0	110.1	T28	T28-S30 PolarHBondContact O-N 2.88Å
31	L	88.7	Confident	91.9	Very high	91 Å²	91	75.7 Å²	75.7	48%	0.476	44%	0.444	S	S	.	.			trans	-128.3	137.9	174.4	-179.6	71.9	0	0	0	108.1	V39	L31-V39 HydrophobicContact CD2-CB 4.15Å; L31-V39 HydrophobicContact CD2-CG1 3.37Å; L31-V39 HydrophobicContact CD2-CG2 3.91Å
32	S	91.9	Very high	92.3	Very high	116 Å²	116	74.9 Å²	74.9	81%	0.811	44%	0.444	S	S	*	.			trans	-107.2	129.6	168.9	-58.7	0	0	0	0	109.2
33	A	94.1	Very high	92.5	Very high	45 Å²	45	74.1 Å²	74.1	37%	0.372	44%	0.44	S	S	.	.			trans	-147.3	154.7	-178.6	0	0	0	0	0	109.6	D37 V39 L98	A33-D37 HydrophobicContact CB-CB 4.18Å; A33-V39 HydrophobicContact CB-CG2 3.66Å; A33-L98 HydrophobicContact CB-CD2 3.78Å
34	S	97.4	Very high	92.6	Very high	77 Å²	77	70.8 Å²	70.8	54%	0.538	43%	0.428	S	S	.	.			trans	-89.2	156.7	174.6	-54.2	0	0	0	0	110.7	G36 D37	S34-G36 PolarHBondContact O-N 3.08Å; S34-D37 WeakPolarHBondContact CB-OD2 3.38Å; S34-D37 PolarHBondContact N-OD2 3.12Å; S34-D37 WeakPolarHBondContact O-CB 3.48Å; S34-D37 PolarHBondContact O-N 2.88Å
35	L	97.7	Very high	92.7	Very high	107 Å²	107	68.5 Å²	68.5	56%	0.56	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	135.5	170.6	-61	-180	0	0	0	109.7	D37 L98 P100	L35-D37 VanDerWaalsContact C-N 3.3Å; L35-L98 WeakPolarHBondContact CA-O 3.44Å; L35-P100 HydrophobicContact CD1-CG 3.95Å; L35-P100 HydrophobicContact CD2-CG 3.99Å
36	G	97.9	Very high	92.6	Very high	36 Å²	36	68 Å²	68	37%	0.371	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-9.7	-173.4	0	0	0	0	0	115.2	S34 N97 L98	S34-G36 PolarHBondContact O-N 3.08Å; G36-N97 WeakPolarHBondContact CA-OD1 3.46Å; G36-L98 PolarHBondContact N-O 3.11Å
37	D	98	Very high	92.6	Very high	70 Å²	70	69.5 Å²	69.5	37%	0.374	43%	0.425	S	S	.	.			trans	-66.4	151	175.3	-74.7	-10.3	0	0	0	111.2	A33 S34 L35 L98	A33-D37 HydrophobicContact CB-CB 4.18Å; S34-D37 WeakPolarHBondContact CB-OD2 3.38Å; S34-D37 PolarHBondContact N-OD2 3.12Å; S34-D37 WeakPolarHBondContact O-CB 3.48Å; S34-D37 PolarHBondContact O-N 2.88Å; L35-D37 VanDerWaalsContact C-N 3.3Å; D37-L98 WeakPolarHBondContact O-CB 3.35Å; D37-L98 PolarHBondContact O-N 3.06Å
38	R	97.7	Very high	93.4	Very high	172 Å²	172	67.2 Å²	67.2	65%	0.649	42%	0.422	S	S	*	.			trans	-82.9	121.3	164.8	178.2	-175.8	171.4	109.4	-0.8	109.2	T94 I95	R38-T94 HydrophobicContact CG-CG2 4.19Å; R38-T94 VanDerWaalsContact CZ-CG2 3.47Å; R38-I95 CarbonylContact C-O 3.6Å; R38-I95 WeakPolarHBondContact CA-O 3.22Å
39	V	96.1	Very high	94.4	Very high	10 Å²	10	64.3 Å²	64.3	6%	0.061	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136	177	166.7	0	0	0	0	109.9	L31 A33 I41 T94 I95 L98	L31-V39 HydrophobicContact CD2-CB 4.15Å; L31-V39 HydrophobicContact CD2-CG1 3.37Å; L31-V39 HydrophobicContact CD2-CG2 3.91Å; A33-V39 HydrophobicContact CB-CG2 3.66Å; V39-I41 HydrophobicContact CG1-CD1 4.43Å; V39-I41 HydrophobicContact CG1-CG1 4.13Å; V39-T94 CarbonylContact O-C 3.58Å; V39-T94 VanDerWaalsContact O-CA 3.26Å; V39-T94 WeakPolarHBondContact O-CA 3.32Å; V39-I95 HydrophobicContact CB-CB 4.3Å; V39-I95 PolarHBondContact N-O 3.13Å; V39-I95 PolarHBondContact O-N 2.9Å; V39-L98 HydrophobicContact CG2-CD1 4.3Å; V39-L98 HydrophobicContact CG2-CD2 4.18Å
40	T	96.4	Very high	95.4	Very high	64 Å²	64	61 Å²	61	39%	0.393	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.6	170.1	-63.2	0	0	0	0	109.8	L93 T94	T40-L93 CarbonylContact C-O 3.6Å; T40-L93 VanDerWaalsContact CA-O 3.31Å; T40-L93 WeakPolarHBondContact CA-O 3.42Å; T40-T94 PolarHBondContact OG1-OG1 2.88Å; T40-T94 VanDerWaalsContact OG1-OG1 3.12Å
41	I	96.5	Very high	95.9	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.077	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.8	177.5	-59.7	160.4	0	0	0	107.4	V39 W55 S92 L93 Y106	V39-I41 HydrophobicContact CG1-CD1 4.43Å; V39-I41 HydrophobicContact CG1-CG1 4.13Å; I41-W55 HydrophobicContact CB-CH2 4.46Å; I41-W55 HydrophobicContact CB-CZ3 4.49Å; I41-W55 HydrophobicContact CG2-CH2 4.06Å; I41-W55 HydrophobicContact CG2-CZ3 3.97Å; I41-S92 CarbonylContact O-C 3.53Å; I41-S92 WeakPolarHBondContact O-CA 3.36Å; I41-L93 HydrophobicContact CB-CB 4.48Å; I41-L93 HydrophobicContact CD1-CD2 4.36Å; I41-L93 PolarHBondContact N-O 3.38Å; I41-L93 PolarHBondContact O-N 2.81Å; I41-Y106 HydrophobicContact CD1-CD1 4.35Å; I41-Y106 HydrophobicContact CD1-CD2 3.73Å; I41-Y106 HydrophobicContact CD1-CE2 4.42Å; I41-Y106 HydrophobicContact CD1-CG 3.69Å
42	S	96.6	Very high	96.3	Very high	48 Å²	48	59.6 Å²	59.6	34%	0.336	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.9	177.8	-53.4	0	0	0	0	111.4	Q26 T27 Y91	Q26-S42 WeakPolarHBondContact CA-O 3.3Å; T27-S42 WeakPolarHBondContact OG1-CB 3.46Å; S42-Y91 WeakPolarHBondContact CA-O 3.34Å
43	C	97.2	Very high	96.6	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.02	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	129.8	174	173.8	0	0	0	0	109.6	M24 T25 Q26 W55 Y91 C108	M24-C43 WeakPolarHBondContact CE-SG 3.31Å; T25-C43 CarbonylContact O-C 3.21Å; T25-C43 WeakPolarHBondContact O-CA 3.43Å; Q26-C43 HydrophobicContact CG-CB 4.08Å; C43-W55 HydrophobicContact CB-CH2 3.56Å; C43-W55 HydrophobicContact CB-CZ2 3.89Å; C43-W55 HydrophobicContact CB-CZ3 4.45Å; C43-Y91 PolarHBondContact N-O 2.96Å; C43-Y91 PolarHBondContact O-N 2.83Å; C43-C108 HydrophobicContact CB-CB 3.55Å; C43-C108 WeakPolarHBondContact CB-SG 3.33Å; C43-C108 WeakPolarHBondContact SG-CB 3.24Å; C43-C108 CovalentContact SG-SG 2.02Å; C43-C108 PolarHBondContact SG-SG 2.92Å
44	S	97.2	Very high	96.8	Very high	35 Å²	35	52.8 Å²	52.8	25%	0.245	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.4	176.1	61.4	0	0	0	0	112.1	M24 T25 T89	M24-S44 CarbonylContact C-O 3.56Å; M24-S44 WeakPolarHBondContact CA-O 3.46Å; T25-S44 PolarHBondContact N-O 2.77Å; T25-S44 PolarHBondContact O-N 3.03Å; T25-S44 PolarHBondContact O-OG 2.74Å; S44-T89 CarbonylContact C-O 3.53Å; S44-T89 WeakPolarHBondContact CA-O 3.25Å
45	A	96.2	Very high	96.9	Very high	8 Å²	8	49.1 Å²	49.1	7%	0.066	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.1	174.3	0	0	0	0	0	109.9	I22 Q23 M24 Q47 I49 T89	I22-A45 HydrophobicContact CG2-CB 4.02Å; Q23-A45 CarbonylContact O-C 3.51Å; Q23-A45 WeakPolarHBondContact O-CA 3.24Å; M24-A45 HydrophobicContact CE-CB 3.91Å; M24-A45 HydrophobicContact SD-CB 3.78Å; A45-Q47 VanDerWaalsContact CB-O 3.29Å; A45-Q47 WeakPolarHBondContact CB-O 3.21Å; A45-Q47 PolarHBondContact O-N 3.47Å; A45-Q47 VanDerWaalsContact O-N 3.14Å; A45-I49 HydrophobicContact CB-CD1 3.97Å; A45-I49 HydrophobicContact CB-CG1 4.26Å; A45-I49 HydrophobicContact CB-CG2 4.17Å; A45-T89 PolarHBondContact N-O 2.85Å
46	S	95.3	Very high	96.9	Very high	69 Å²	69	47 Å²	47	48%	0.483	27%	0.267	S	S	.	.	S	Bend	trans	-66.9	-12	177.3	64.2	0	0	0	0	114.2	Q23	Q23-S46 PolarHBondContact N-OG 2.75Å; Q23-S46 PolarHBondContact O-N 3.25Å
47	Q	94.8	Very high	96.9	Very high	95 Å²	95	45.8 Å²	45.8	44%	0.444	25%	0.252	S	S	.	.	S	Bend	trans	-146.4	161.9	-179.6	-64.6	177.4	62	0	0	109.5	I22 A45 I49	I22-Q47 HydrophobicContact CG1-CB 4.46Å; A45-Q47 VanDerWaalsContact CB-O 3.29Å; A45-Q47 WeakPolarHBondContact CB-O 3.21Å; A45-Q47 PolarHBondContact O-N 3.47Å; A45-Q47 VanDerWaalsContact O-N 3.14Å; Q47-I49 PolarHBondContact O-N 3.49Å
48	G	96.2	Very high	96.9	Very high	54 Å²	54	45.3 Å²	45.3	56%	0.557	25%	0.247	S	C	*	.			trans	-65.7	121.2	177.8	0	0	0	0	0	112.5	G88	G48-G88 CarbonylContact C-O 3.56Å; G48-G88 VanDerWaalsContact CA-O 3.28Å; G48-G88 WeakPolarHBondContact CA-O 3.43Å
49	I	96.2	Very high	96.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.228	C	C	.	.			trans	-114.3	16	178.9	65.8	177.5	0	0	0	113.2	I22 M24 A45 Q47 N51 Y52 L53 G88 Y91 Q110	I22-I49 HydrophobicContact CD1-CG2 3.61Å; I22-I49 HydrophobicContact CG2-CG2 3.92Å; M24-I49 HydrophobicContact CE-CD1 4.17Å; M24-I49 HydrophobicContact SD-CD1 4.49Å; A45-I49 HydrophobicContact CB-CD1 3.97Å; A45-I49 HydrophobicContact CB-CG1 4.26Å; A45-I49 HydrophobicContact CB-CG2 4.17Å; Q47-I49 PolarHBondContact O-N 3.49Å; I49-N51 PolarHBondContact O-N 3.02Å; I49-Y52 WeakPolarHBondContact O-CB 3.37Å; I49-Y52 VanDerWaalsContact O-CD2 3.23Å; I49-Y52 WeakPolarHBondContact O-CD2 3.46Å; I49-Y52 PolarHBondContact O-N 2.79Å; I49-L53 HydrophobicContact CD1-CB 4.13Å; I49-L53 HydrophobicContact CD1-CD1 3.87Å; I49-G88 PolarHBondContact N-O 2.92Å; I49-Y91 HydrophobicContact CD1-CD2 4.46Å; I49-Y91 HydrophobicContact CD1-CE2 3.67Å; I49-Y91 HydrophobicContact CG1-CE2 3.65Å; I49-Y91 WeakPolarHBondContact CG1-OH 3.14Å; I49-Q110 HydrophobicContact CB-CB 4.44Å; I49-Q110 HydrophobicContact CD1-CB 3.39Å; I49-Q110 HydrophobicContact CG1-CB 4.48Å; I49-Q110 HydrophobicContact CG2-CB 4.09Å; I49-Q110 HydrophobicContact CG2-CG 4.47Å
50	S	96.2	Very high	96.9	Very high	69 Å²	69	45.1 Å²	45.1	48%	0.483	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-116.2	-178.7	-173.8	0	0	0	0	111.9	G88 Y91	S50-G88 PolarHBondContact O-N 3.12Å; S50-Y91 PolarHBondContact O-OH 3.08Å
51	N	96.6	Very high	96.9	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	13.3	171.9	68.6	-28.3	0	0	0	112.2	I49 L53 Y70 T71	I49-N51 PolarHBondContact O-N 3.02Å; N51-L53 PolarHBondContact O-N 2.97Å; N51-Y70 CarbonylContact O-C 3.54Å; N51-Y70 VanDerWaalsContact O-C 3.22Å; N51-Y70 VanDerWaalsContact O-CA 3.25Å; N51-Y70 WeakPolarHBondContact O-CA 3.46Å; N51-T71 VanDerWaalsContact C-OG1 3.3Å; N51-T71 VanDerWaalsContact CA-OG1 3.27Å; N51-T71 WeakPolarHBondContact CA-OG1 3.4Å; N51-T71 PolarHBondContact O-N 3.25Å; N51-T71 PolarHBondContact O-OG1 2.84Å
52	Y	96.7	Very high	96.9	Very high	96 Å²	96	48.8 Å²	48.8	38%	0.376	29%	0.289	S	S	.	.			trans	-78.1	58.7	-176.4	-57.1	-55.7	0	0	0	112.2	I49 Y70 Q110 Y111	I49-Y52 WeakPolarHBondContact O-CB 3.37Å; I49-Y52 VanDerWaalsContact O-CD2 3.23Å; I49-Y52 WeakPolarHBondContact O-CD2 3.46Å; I49-Y52 PolarHBondContact O-N 2.79Å; Y52-Y70 HydrophobicContact CD1-CD1 4.41Å; Y52-Y70 HydrophobicContact CD1-CE1 4.11Å; Y52-Y70 HydrophobicContact CE1-CE1 4.2Å; Y52-Q110 VanDerWaalsContact O-CA 3.3Å; Y52-Q110 WeakPolarHBondContact O-CA 3.33Å; Y52-Y111 VanDerWaalsContact CA-CZ 3.47Å; Y52-Y111 HydrophobicContact CD1-CD2 4.02Å; Y52-Y111 AromaticContact CD1-CE2 3.36Å; Y52-Y111 HydrophobicContact CD1-CE2 3.36Å; Y52-Y111 AromaticContact CD1-CZ 3.87Å; Y52-Y111 HydrophobicContact CE1-CE2 4.31Å; Y52-Y111 HydrophobicContact CG-CD2 4.25Å; Y52-Y111 AromaticContact CG-CE2 3.96Å; Y52-Y111 HydrophobicContact CG-CE2 3.96Å; Y52-Y111 WeakPolarHBondContact O-CD1 3Å; Y52-Y111 PolarHBondContact O-N 3.01Å
53	L	98	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.8	179.6	-173.6	132.6	0	0	0	111.2	M24 I49 N51 W55 Y70 T71 Y91 C108 Q109	M24-L53 HydrophobicContact CE-CD1 3.74Å; I49-L53 HydrophobicContact CD1-CB 4.13Å; I49-L53 HydrophobicContact CD1-CD1 3.87Å; N51-L53 PolarHBondContact O-N 2.97Å; L53-W55 HydrophobicContact CD2-CD2 4.37Å; L53-W55 HydrophobicContact CD2-CG 4.34Å; L53-W55 HydrophobicContact CD2-CZ2 4.33Å; L53-W55 VanDerWaalsContact CD2-NE1 3.3Å; L53-Y70 PolarHBondContact O-N 3.3Å; L53-T71 PolarHBondContact O-N 3.37Å; L53-Y91 HydrophobicContact CB-CD1 4.09Å; L53-Y91 HydrophobicContact CB-CE1 4.11Å; L53-Y91 HydrophobicContact CB-CG 4.49Å; L53-Y91 HydrophobicContact CD1-CD1 4.05Å; L53-Y91 HydrophobicContact CD1-CD2 3.62Å; L53-Y91 HydrophobicContact CD1-CE1 4.5Å; L53-Y91 HydrophobicContact CD1-CE2 4.12Å; L53-Y91 HydrophobicContact CD1-CG 3.59Å; L53-Y91 HydrophobicContact CD2-CD1 4.19Å; L53-Y91 HydrophobicContact CD2-CG 4.2Å; L53-Y91 HydrophobicContact CG-CD1 4.33Å; L53-Y91 HydrophobicContact CG-CG 4.3Å; L53-C108 HydrophobicContact CD1-CB 4.09Å; L53-C108 HydrophobicContact CD2-CB 4.36Å; L53-C108 HydrophobicContact CG-CB 4.4Å; L53-Q109 WeakPolarHBondContact CA-O 3.41Å
54	N	98.3	Very high	97	Very high	18 Å²	18	53.1 Å²	53.1	10%	0.096	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.8	173.5	-63.4	-32.4	0	0	0	110.5	Y56 L66 I68 Y69 C108 Q109 Y111	N54-Y56 HydrophobicContact CB-CD2 4.36Å; N54-Y56 HydrophobicContact CB-CE2 3.59Å; N54-L66 HydrophobicContact CB-CD1 3.94Å; N54-I68 CarbonylContact C-O 3.55Å; N54-I68 VanDerWaalsContact CA-O 3.25Å; N54-I68 WeakPolarHBondContact CA-O 3.24Å; N54-Y69 VanDerWaalsContact OD1-CA 3.22Å; N54-Y69 WeakPolarHBondContact OD1-CA 3.41Å; N54-Y69 VanDerWaalsContact OD1-CB 3.32Å; N54-Y69 WeakPolarHBondContact OD1-CB 3.31Å; N54-C108 CarbonylContact O-C 3.57Å; N54-C108 WeakPolarHBondContact O-CA 3.15Å; N54-Q109 PolarHBondContact N-O 3.36Å; N54-Q109 PolarHBondContact ND2-OE1 2.86Å; N54-Q109 PolarHBondContact O-N 2.95Å; N54-Y111 WeakPolarHBondContact ND2-CD1 3.22Å; N54-Y111 WeakPolarHBondContact OD1-CE1 3.32Å
55	W	98.5	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.5	170.3	-72.2	101.1	0	0	0	110.9	I41 C43 L53 L67 I68 L93 Y107 C108	I41-W55 HydrophobicContact CB-CH2 4.46Å; I41-W55 HydrophobicContact CB-CZ3 4.49Å; I41-W55 HydrophobicContact CG2-CH2 4.06Å; I41-W55 HydrophobicContact CG2-CZ3 3.97Å; C43-W55 HydrophobicContact CB-CH2 3.56Å; C43-W55 HydrophobicContact CB-CZ2 3.89Å; C43-W55 HydrophobicContact CB-CZ3 4.45Å; L53-W55 HydrophobicContact CD2-CD2 4.37Å; L53-W55 HydrophobicContact CD2-CG 4.34Å; L53-W55 HydrophobicContact CD2-CZ2 4.33Å; L53-W55 VanDerWaalsContact CD2-NE1 3.3Å; W55-L67 HydrophobicContact CB-CB 4.5Å; W55-L67 PolarHBondContact O-N 2.78Å; W55-I68 HydrophobicContact CB-CB 4.18Å; W55-I68 PolarHBondContact N-O 2.82Å; W55-I68 PolarHBondContact O-N 3.05Å; W55-L93 HydrophobicContact CB-CD1 4.36Å; W55-L93 HydrophobicContact CB-CD2 4.4Å; W55-L93 HydrophobicContact CD2-CB 3.6Å; W55-L93 HydrophobicContact CD2-CD1 4.46Å; W55-L93 HydrophobicContact CD2-CD2 4.12Å; W55-L93 HydrophobicContact CD2-CG 4.28Å; W55-L93 HydrophobicContact CE3-CB 3.79Å; W55-L93 HydrophobicContact CE3-CD2 3.88Å; W55-L93 HydrophobicContact CE3-CG 4.42Å; W55-L93 HydrophobicContact CG-CB 4.15Å; W55-L93 HydrophobicContact CG-CD1 4.15Å; W55-L93 HydrophobicContact CG-CD2 4.35Å; W55-L93 HydrophobicContact CG-CG 4.46Å; W55-L93 HydrophobicContact CH2-CB 3.92Å; W55-L93 HydrophobicContact CZ2-CB 3.76Å; W55-L93 VanDerWaalsContact CZ2-N 3.32Å; W55-L93 HydrophobicContact CZ3-CB 3.93Å; W55-L93 HydrophobicContact CZ3-CD2 4.46Å; W55-Y107 CarbonylContact C-O 3.57Å; W55-Y107 WeakPolarHBondContact CA-O 3.48Å; W55-C108 HydrophobicContact CD2-CB 4.29Å; W55-C108 HydrophobicContact CE3-CB 3.99Å; W55-C108 HydrophobicContact CH2-CB 3.97Å; W55-C108 HydrophobicContact CZ2-CB 4.24Å; W55-C108 HydrophobicContact CZ3-CB 3.83Å
56	Y	98.4	Very high	97.1	Very high	63 Å²	63	58.4 Å²	58.4	25%	0.247	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.7	177.8	-63.4	-93.8	0	0	0	111.2	N54 V64 K65 L66 Y106 Y107 Q109	N54-Y56 HydrophobicContact CB-CD2 4.36Å; N54-Y56 HydrophobicContact CB-CE2 3.59Å; Y56-V64 HydrophobicContact CD1-CG1 3.93Å; Y56-V64 HydrophobicContact CG-CG1 4.42Å; Y56-K65 CarbonylContact C-O 3.53Å; Y56-K65 VanDerWaalsContact CA-O 3.25Å; Y56-K65 WeakPolarHBondContact CA-O 3.26Å; Y56-L66 HydrophobicContact CD1-CB 4.26Å; Y56-L66 HydrophobicContact CD1-CD1 4.34Å; Y56-L66 HydrophobicContact CE1-CB 4.02Å; Y56-L66 HydrophobicContact CE1-CD1 3.91Å; Y56-L66 HydrophobicContact CE2-CD1 4.37Å; Y56-Y106 WeakPolarHBondContact O-CA 3.32Å; Y56-Y107 PolarHBondContact N-O 3.19Å; Y56-Y107 PolarHBondContact O-N 3.34Å; Y56-Q109 HydrophobicContact CD2-CB 4.36Å; Y56-Q109 HydrophobicContact CE2-CB 3.91Å
57	Q	98.3	Very high	97.3	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.047	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.4	169.5	-176.5	-173.3	70	0	0	108.8	V64 K65 L67 A104 Y106	Q57-V64 CarbonylContact O-C 3.53Å; Q57-V64 WeakPolarHBondContact O-CA 3.36Å; Q57-K65 PolarHBondContact N-O 3.41Å; Q57-K65 PolarHBondContact O-N 3.49Å; Q57-L67 HydrophobicContact CB-CD1 3.79Å; Q57-L67 HydrophobicContact CB-CD2 4.1Å; Q57-L67 HydrophobicContact CB-CG 3.88Å; Q57-A104 HydrophobicContact CG-CB 3.4Å; Q57-A104 VanDerWaalsContact CG-CB 3.4Å; Q57-Y106 HydrophobicContact CB-CD1 4.38Å; Q57-Y106 HydrophobicContact CB-CE1 4.08Å; Q57-Y106 HydrophobicContact CG-CE1 3.99Å; Q57-Y106 PolarHBondContact NE2-OH 2.84Å
58	Q	98	Very high	97.5	Very high	59 Å²	59	50.9 Å²	50.9	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.2	169.7	-175.1	177.9	33.6	0	0	109.9	T63 V64 A104 T105 Y107	Q58-T63 WeakPolarHBondContact CA-O 3.48Å; Q58-V64 HydrophobicContact CB-CG2 4.15Å; Q58-V64 HydrophobicContact CG-CG2 3.93Å; Q58-A104 WeakPolarHBondContact O-CA 3.38Å; Q58-A104 VanDerWaalsContact O-CB 3.24Å; Q58-A104 WeakPolarHBondContact O-CB 3Å; Q58-T105 PolarHBondContact N-O 3.19Å; Q58-T105 PolarHBondContact O-N 2.94Å; Q58-Y107 HydrophobicContact CB-CD2 4.38Å; Q58-Y107 HydrophobicContact CB-CE2 3.81Å; Q58-Y107 VanDerWaalsContact OE1-CE2 3.32Å; Q58-Y107 PolarHBondContact OE1-OH 2.88Å; Q58-Y107 VanDerWaalsContact OE1-OH 3.08Å
59	K	96.7	Very high	97.6	Very high	57 Å²	57	52.6 Å²	52.6	25%	0.248	28%	0.28	C	S	.	.			trans	-77.5	162.7	178	-70.8	-167.1	174	-157	0	111.9	D61 G62 T63	K59-D61 VanDerWaalsContact CB-OD1 3.24Å; K59-D61 WeakPolarHBondContact CB-OD1 3.37Å; K59-D61 PolarHBondContact O-N 2.87Å; K59-D61 VanDerWaalsContact O-N 3.11Å; K59-G62 PolarHBondContact O-N 3.49Å; K59-T63 PolarHBondContact N-O 2.95Å
60	P	96.2	Very high	97.7	Very high	121 Å²	121	57.7 Å²	57.7	79%	0.786	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.5	178.3	-27.8	36.1	0	0	0	115.2	G62	P60-G62 PolarHBondContact O-N 2.85Å
61	D	96.9	Very high	97.8	Very high	118 Å²	118	54.6 Å²	54.6	63%	0.631	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.8	174.7	68.6	-7	0	0	0	113.6	K59 T63	K59-D61 VanDerWaalsContact CB-OD1 3.24Å; K59-D61 WeakPolarHBondContact CB-OD1 3.37Å; K59-D61 PolarHBondContact O-N 2.87Å; K59-D61 VanDerWaalsContact O-N 3.11Å; D61-T63 VanDerWaalsContact CG-OG1 3.3Å; D61-T63 WeakPolarHBondContact OD1-CB 3.3Å; D61-T63 PolarHBondContact OD1-N 2.86Å; D61-T63 PolarHBondContact OD1-OG1 2.87Å; D61-T63 VanDerWaalsContact OD1-OG1 3.08Å; D61-T63 PolarHBondContact OD2-OG1 2.77Å; D61-T63 VanDerWaalsContact OD2-OG1 3.06Å
62	G	96.6	Very high	97.8	Very high	39 Å²	39	55.3 Å²	55.3	40%	0.402	29%	0.288	S	S	.	.	S	Bend	trans	88.8	-5.4	-177.7	0	0	0	0	0	114.6	K59 P60 V64	K59-G62 PolarHBondContact O-N 3.49Å; P60-G62 PolarHBondContact O-N 2.85Å; G62-V64 PolarHBondContact O-N 2.86Å
63	T	97.4	Very high	97.9	Very high	60 Å²	60	52.9 Å²	52.9	37%	0.368	29%	0.285	S	S	.	.			trans	-64.9	121.4	179.4	-60.2	0	0	0	0	110.3	Q58 K59 D61 K65	Q58-T63 WeakPolarHBondContact CA-O 3.48Å; K59-T63 PolarHBondContact N-O 2.95Å; D61-T63 VanDerWaalsContact CG-OG1 3.3Å; D61-T63 WeakPolarHBondContact OD1-CB 3.3Å; D61-T63 PolarHBondContact OD1-N 2.86Å; D61-T63 PolarHBondContact OD1-OG1 2.87Å; D61-T63 VanDerWaalsContact OD1-OG1 3.08Å; D61-T63 PolarHBondContact OD2-OG1 2.77Å; D61-T63 VanDerWaalsContact OD2-OG1 3.06Å; T63-K65 HydrophobicContact CG2-CG 4.27Å
64	V	97.9	Very high	98	Very high	81 Å²	81	56.1 Å²	56.1	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132	175.6	-177.4	0	0	0	0	110.2	Y56 Q57 Q58 G62	Y56-V64 HydrophobicContact CD1-CG1 3.93Å; Y56-V64 HydrophobicContact CG-CG1 4.42Å; Q57-V64 CarbonylContact O-C 3.53Å; Q57-V64 WeakPolarHBondContact O-CA 3.36Å; Q58-V64 HydrophobicContact CB-CG2 4.15Å; Q58-V64 HydrophobicContact CG-CG2 3.93Å; G62-V64 PolarHBondContact O-N 2.86Å
65	K	98	Very high	98	Very high	107 Å²	107	59.2 Å²	59.2	47%	0.465	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142	175.4	-62.3	-175.6	-179.1	-173.7	0	110.9	Y56 Q57 T63	Y56-K65 CarbonylContact C-O 3.53Å; Y56-K65 VanDerWaalsContact CA-O 3.25Å; Y56-K65 WeakPolarHBondContact CA-O 3.26Å; Q57-K65 PolarHBondContact N-O 3.41Å; Q57-K65 PolarHBondContact O-N 3.49Å; T63-K65 HydrophobicContact CG2-CG 4.27Å
66	L	98.7	Very high	98	Very high	47 Å²	47	64.6 Å²	64.6	25%	0.246	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.2	167	178	60.8	0	0	0	108.9	N54 Y56 I68 H75	N54-L66 HydrophobicContact CB-CD1 3.94Å; Y56-L66 HydrophobicContact CD1-CB 4.26Å; Y56-L66 HydrophobicContact CD1-CD1 4.34Å; Y56-L66 HydrophobicContact CE1-CB 4.02Å; Y56-L66 HydrophobicContact CE1-CD1 3.91Å; Y56-L66 HydrophobicContact CE2-CD1 4.37Å; L66-I68 WeakPolarHBondContact CD1-O 3.34Å; L66-H75 HydrophobicContact CG-CB 4.23Å; L66-H75 WeakPolarHBondContact O-CB 3.46Å
67	L	98.7	Very high	97.9	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-52.5	175.9	-67.1	-176.9	0	0	0	111.7	W55 Q57 H75 V78 F82 L93 Y106	W55-L67 HydrophobicContact CB-CB 4.5Å; W55-L67 PolarHBondContact O-N 2.78Å; Q57-L67 HydrophobicContact CB-CD1 3.79Å; Q57-L67 HydrophobicContact CB-CD2 4.1Å; Q57-L67 HydrophobicContact CB-CG 3.88Å; L67-H75 PolarHBondContact O-N 3.13Å; L67-V78 HydrophobicContact CB-CG1 4.46Å; L67-V78 HydrophobicContact CD2-CG1 3.91Å; L67-V78 HydrophobicContact CD2-CG2 4.12Å; L67-F82 HydrophobicContact CD1-CD1 3.74Å; L67-F82 HydrophobicContact CD1-CE1 3.64Å; L67-F82 HydrophobicContact CD1-CG 4.49Å; L67-F82 HydrophobicContact CD1-CZ 4.34Å; L67-L93 HydrophobicContact CD1-CD2 4.29Å; L67-Y106 HydrophobicContact CD1-CD1 4.04Å; L67-Y106 HydrophobicContact CD1-CE1 3.66Å
68	I	98.8	Very high	98	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.6	-172.9	-61.8	-177.4	0	0	0	108.8	N54 W55 L66 T71 S73 L74 S83 L93	N54-I68 CarbonylContact C-O 3.55Å; N54-I68 VanDerWaalsContact CA-O 3.25Å; N54-I68 WeakPolarHBondContact CA-O 3.24Å; W55-I68 HydrophobicContact CB-CB 4.18Å; W55-I68 PolarHBondContact N-O 2.82Å; W55-I68 PolarHBondContact O-N 3.05Å; L66-I68 WeakPolarHBondContact CD1-O 3.34Å; I68-T71 VanDerWaalsContact CG2-C 3.47Å; I68-T71 VanDerWaalsContact CG2-O 3.32Å; I68-T71 WeakPolarHBondContact CG2-O 3.34Å; I68-S73 CarbonylContact C-O 3.22Å; I68-S73 VanDerWaalsContact CA-O 3.26Å; I68-S73 WeakPolarHBondContact CA-O 3.41Å; I68-S73 WeakPolarHBondContact CG2-O 3.35Å; I68-L74 HydrophobicContact CD1-CD2 4.06Å; I68-L74 HydrophobicContact CG1-CD2 3.75Å; I68-S83 VanDerWaalsContact CD1-C 3.41Å; I68-L93 HydrophobicContact CD1-CD1 3.64Å; I68-L93 HydrophobicContact CG1-CD1 4.47Å
69	Y	98.4	Very high	98	Very high	90 Å²	90	65.5 Å²	65.5	35%	0.353	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	161.8	172.8	70.6	-75.7	0	0	0	110.6	N54 T71 S72 S73	N54-Y69 VanDerWaalsContact OD1-CA 3.22Å; N54-Y69 WeakPolarHBondContact OD1-CA 3.41Å; N54-Y69 VanDerWaalsContact OD1-CB 3.32Å; N54-Y69 WeakPolarHBondContact OD1-CB 3.31Å; Y69-T71 PolarHBondContact O-N 3.33Å; Y69-S72 PolarHBondContact O-N 2.83Å; Y69-S73 WeakPolarHBondContact CD1-O 3.4Å; Y69-S73 PolarHBondContact N-O 2.81Å; Y69-S73 WeakPolarHBondContact O-CA 3.49Å; Y69-S73 VanDerWaalsContact O-CB 3.28Å; Y69-S73 WeakPolarHBondContact O-CB 3.19Å; Y69-S73 PolarHBondContact O-N 2.02Å
70	Y	97.8	Very high	98	Very high	108 Å²	108	68.2 Å²	68.2	42%	0.424	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	42.6	-172	-69.4	-66.7	0	0	0	113.2	N51 Y52 L53 S72 Y111	N51-Y70 CarbonylContact O-C 3.54Å; N51-Y70 VanDerWaalsContact O-C 3.22Å; N51-Y70 VanDerWaalsContact O-CA 3.25Å; N51-Y70 WeakPolarHBondContact O-CA 3.46Å; Y52-Y70 HydrophobicContact CD1-CD1 4.41Å; Y52-Y70 HydrophobicContact CD1-CE1 4.11Å; Y52-Y70 HydrophobicContact CE1-CE1 4.2Å; L53-Y70 PolarHBondContact O-N 3.3Å; Y70-S72 PolarHBondContact O-N 2.9Å; Y70-Y111 WeakPolarHBondContact CD1-OH 3.41Å; Y70-Y111 HydrophobicContact CE1-CE2 4.05Å; Y70-Y111 AromaticContact CE1-CZ 3.95Å; Y70-Y111 WeakPolarHBondContact CE1-OH 2.85Å
71	T	98.2	Very high	98.2	Very high	5 Å²	5	64.4 Å²	64.4	3%	0.031	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-37.4	-179.8	-55.8	0	0	0	0	116.7	N51 L53 I68 Y69 G84 G86 Y91	N51-T71 VanDerWaalsContact C-OG1 3.3Å; N51-T71 VanDerWaalsContact CA-OG1 3.27Å; N51-T71 WeakPolarHBondContact CA-OG1 3.4Å; N51-T71 PolarHBondContact O-N 3.25Å; N51-T71 PolarHBondContact O-OG1 2.84Å; L53-T71 PolarHBondContact O-N 3.37Å; I68-T71 VanDerWaalsContact CG2-C 3.47Å; I68-T71 VanDerWaalsContact CG2-O 3.32Å; I68-T71 WeakPolarHBondContact CG2-O 3.34Å; Y69-T71 PolarHBondContact O-N 3.33Å; T71-G84 CarbonylContact O-C 3.52Å; T71-G84 WeakPolarHBondContact O-CA 3.45Å; T71-G86 WeakPolarHBondContact CG2-O 3.33Å; T71-Y91 HydrophobicContact CG2-CD1 3.69Å; T71-Y91 HydrophobicContact CG2-CE1 4.06Å
72	S	98.5	Very high	98.2	Very high	77 Å²	77	59 Å²	59	54%	0.538	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-6.9	-171.3	62.3	0	0	0	0	115.4	Y69 Y70 G84	Y69-S72 PolarHBondContact O-N 2.83Å; Y70-S72 PolarHBondContact O-N 2.9Å; S72-G84 WeakPolarHBondContact CB-O 3.33Å
73	S	98.6	Very high	98.3	Very high	45 Å²	45	59.9 Å²	59.9	32%	0.315	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.1	-179	-59.8	0	0	0	0	110.9	I68 Y69	I68-S73 CarbonylContact C-O 3.22Å; I68-S73 VanDerWaalsContact CA-O 3.26Å; I68-S73 WeakPolarHBondContact CA-O 3.41Å; I68-S73 WeakPolarHBondContact CG2-O 3.35Å; Y69-S73 WeakPolarHBondContact CD1-O 3.4Å; Y69-S73 PolarHBondContact N-O 2.81Å; Y69-S73 WeakPolarHBondContact O-CA 3.49Å; Y69-S73 VanDerWaalsContact O-CB 3.28Å; Y69-S73 WeakPolarHBondContact O-CB 3.19Å; Y69-S73 PolarHBondContact O-N 2.02Å
74	L	98.7	Very high	98.4	Very high	67 Å²	67	57.6 Å²	57.6	35%	0.351	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.9	176.2	-72.5	164.3	0	0	0	110.9	I68 V78 F82	I68-L74 HydrophobicContact CD1-CD2 4.06Å; I68-L74 HydrophobicContact CG1-CD2 3.75Å; L74-V78 HydrophobicContact CD2-CB 4.11Å; L74-V78 HydrophobicContact CD2-CG1 3.61Å; L74-F82 HydrophobicContact CD2-CB 3.84Å
75	H	98.6	Very high	98.4	Very high	84 Å²	84	56.6 Å²	56.6	39%	0.389	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.4	150.5	168	-170.1	-85.4	0	0	0	110.3	L66 L67 G77 V78	L66-H75 HydrophobicContact CG-CB 4.23Å; L66-H75 WeakPolarHBondContact O-CB 3.46Å; L67-H75 PolarHBondContact O-N 3.13Å; H75-G77 PolarHBondContact O-N 3.46Å; H75-V78 HydrophobicContact CB-CG2 3.94Å; H75-V78 WeakPolarHBondContact O-CB 3.26Å; H75-V78 VanDerWaalsContact O-CG2 3.27Å; H75-V78 WeakPolarHBondContact O-CG2 3Å; H75-V78 PolarHBondContact O-N 3.37Å; H75-V78 VanDerWaalsContact O-N 3.13Å
76	S	98.3	Very high	98.3	Very high	112 Å²	112	53.5 Å²	53.5	78%	0.783	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	134.2	-179.8	-173.2	0	0	0	0	111.7	V78	S76-V78 VanDerWaalsContact C-N 3.31Å; S76-V78 PolarHBondContact O-N 3.35Å
77	G	97.9	Very high	98	Very high	76 Å²	76	55.3 Å²	55.3	78%	0.784	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-2.1	-179.2	0	0	0	0	0	115.5	H75	H75-G77 PolarHBondContact O-N 3.46Å
78	V	98.4	Very high	97.8	Very high	25 Å²	25	56.4 Å²	56.4	15%	0.152	37%	0.366	C	S	.	.			trans	-78.3	128.3	176.2	-179.7	0	0	0	0	109.8	L67 L74 H75 S76 F82	L67-V78 HydrophobicContact CB-CG1 4.46Å; L67-V78 HydrophobicContact CD2-CG1 3.91Å; L67-V78 HydrophobicContact CD2-CG2 4.12Å; L74-V78 HydrophobicContact CD2-CB 4.11Å; L74-V78 HydrophobicContact CD2-CG1 3.61Å; H75-V78 HydrophobicContact CB-CG2 3.94Å; H75-V78 WeakPolarHBondContact O-CB 3.26Å; H75-V78 VanDerWaalsContact O-CG2 3.27Å; H75-V78 WeakPolarHBondContact O-CG2 3Å; H75-V78 PolarHBondContact O-N 3.37Å; H75-V78 VanDerWaalsContact O-N 3.13Å; S76-V78 VanDerWaalsContact C-N 3.31Å; S76-V78 PolarHBondContact O-N 3.35Å; V78-F82 HydrophobicContact CG1-CB 4.01Å; V78-F82 HydrophobicContact CG1-CD2 3.72Å; V78-F82 HydrophobicContact CG1-CG 4.03Å
79	P	98.4	Very high	97.7	Very high	51 Å²	51	59 Å²	59	33%	0.331	38%	0.382	S	S	.	.			trans	-59	145	178.7	-28.1	37.8	0	0	0	113.4	R81 F82	P79-R81 HydrophobicContact CB-CG 3.99Å; P79-R81 PolarHBondContact O-N 3.19Å; P79-F82 HydrophobicContact CB-CD2 4.34Å; P79-F82 WeakPolarHBondContact O-CD2 3.02Å; P79-F82 PolarHBondContact O-N 2.88Å; P79-F82 VanDerWaalsContact O-N 3.13Å
80	S	98.2	Very high	97.7	Very high	113 Å²	113	59.6 Å²	59.6	79%	0.79	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-7.1	-178.4	56.3	0	0	0	0	115	F82	S80-F82 PolarHBondContact O-N 3.4Å
81	R	98.4	Very high	97.7	Very high	42 Å²	42	54.8 Å²	54.8	16%	0.158	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.1	171	64.2	179.1	177.4	-100.4	2.9	112.7	P79 I95 S96 N97 E101 D102	P79-R81 HydrophobicContact CB-CG 3.99Å; P79-R81 PolarHBondContact O-N 3.19Å; R81-I95 HydrophobicContact CG-CG2 4.39Å; R81-I95 CarbonylContact O-C 3.57Å; R81-I95 WeakPolarHBondContact O-CA 3.29Å; R81-S96 WeakPolarHBondContact CA-OG 3.37Å; R81-S96 WeakPolarHBondContact CB-OG 3.46Å; R81-S96 PolarHBondContact O-N 3.37Å; R81-S96 PolarHBondContact O-OG 2.97Å; R81-N97 VanDerWaalsContact CD-O 3.3Å; R81-N97 WeakPolarHBondContact CD-O 3.26Å; R81-E101 IonicContact CZ-OE1 3.51Å; R81-E101 IonicContact NH1-OE1 3.47Å; R81-E101 PolarHBondContact NH1-OE1 2.98Å; R81-E101 IonicContact NH2-OE1 3.55Å; R81-E101 PolarHBondContact NH2-OE1 3.16Å; R81-D102 WeakPolarHBondContact CD-OD2 3.35Å; R81-D102 IonicContact CZ-OD1 3.25Å; R81-D102 IonicContact CZ-OD2 2.77Å; R81-D102 IonicContact NE-OD1 2.75Å; R81-D102 PolarHBondContact NE-OD1 2.58Å; R81-D102 IonicContact NE-OD2 2.74Å; R81-D102 PolarHBondContact NE-OD2 3.5Å; R81-D102 IonicContact NH2-OD1 3.45Å; R81-D102 PolarHBondContact NH2-OD1 2.85Å; R81-D102 IonicContact NH2-OD2 3.41Å
82	F	98.7	Very high	97.6	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.022	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.1	172.5	-67	-85.6	0	0	0	110.3	L67 L74 V78 P79 S80 L93 T94 I95 D102 Y106	L67-F82 HydrophobicContact CD1-CD1 3.74Å; L67-F82 HydrophobicContact CD1-CE1 3.64Å; L67-F82 HydrophobicContact CD1-CG 4.49Å; L67-F82 HydrophobicContact CD1-CZ 4.34Å; L74-F82 HydrophobicContact CD2-CB 3.84Å; V78-F82 HydrophobicContact CG1-CB 4.01Å; V78-F82 HydrophobicContact CG1-CD2 3.72Å; V78-F82 HydrophobicContact CG1-CG 4.03Å; P79-F82 HydrophobicContact CB-CD2 4.34Å; P79-F82 WeakPolarHBondContact O-CD2 3.02Å; P79-F82 PolarHBondContact O-N 2.88Å; P79-F82 VanDerWaalsContact O-N 3.13Å; S80-F82 PolarHBondContact O-N 3.4Å; F82-L93 HydrophobicContact CD1-CD1 4.33Å; F82-T94 CarbonylContact C-O 3.6Å; F82-T94 WeakPolarHBondContact CA-O 3.41Å; F82-I95 HydrophobicContact CD1-CD1 4.41Å; F82-I95 HydrophobicContact CD1-CG1 3.87Å; F82-I95 HydrophobicContact CE1-CD1 3.75Å; F82-I95 HydrophobicContact CE1-CG1 3.7Å; F82-I95 HydrophobicContact CE1-CG2 4.49Å; F82-I95 HydrophobicContact CZ-CD1 4.47Å; F82-D102 HydrophobicContact CZ-CB 4.38Å; F82-D102 VanDerWaalsContact CZ-OD1 3.24Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.47Å; F82-Y106 AromaticContact CE1-CE1 3.99Å; F82-Y106 HydrophobicContact CE1-CE1 3.99Å
83	S	98.7	Very high	97.6	Very high	56 Å²	56	51.9 Å²	51.9	39%	0.392	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144.3	173	55.3	0	0	0	0	110.5	I68 L93 T94	I68-S83 VanDerWaalsContact CD1-C 3.41Å; S83-L93 CarbonylContact O-C 3.56Å; S83-T94 PolarHBondContact N-O 3.5Å; S83-T94 PolarHBondContact O-N 2.85Å; S83-T94 WeakPolarHBondContact OG-CB 3.32Å; S83-T94 PolarHBondContact OG-O 2.81Å
84	G	98.4	Very high	97.6	Very high	13 Å²	13	50 Å²	50	13%	0.134	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.1	179.5	0	0	0	0	0	110.1	T71 S72 S92	T71-G84 CarbonylContact O-C 3.52Å; T71-G84 WeakPolarHBondContact O-CA 3.45Å; S72-G84 WeakPolarHBondContact CB-O 3.33Å; G84-S92 WeakPolarHBondContact CA-O 3.19Å
85	S	98	Very high	97.6	Very high	59 Å²	59	46.9 Å²	46.9	41%	0.413	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.8	-179.4	70.8	0	0	0	0	111.3	Y91 S92	S85-Y91 CarbonylContact O-C 3.47Å; S85-Y91 WeakPolarHBondContact O-CA 3.16Å; S85-S92 PolarHBondContact N-O 2.91Å; S85-S92 PolarHBondContact O-N 2.79Å; S85-S92 PolarHBondContact OG-OG 2.94Å
86	G	96.5	Very high	97.6	Very high	42 Å²	42	45.8 Å²	45.8	43%	0.433	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	174.3	178.1	0	0	0	0	0	113.5	T71 D90	T71-G86 WeakPolarHBondContact CG2-O 3.33Å; G86-D90 CarbonylContact C-O 3.59Å; G86-D90 WeakPolarHBondContact CA-O 3.27Å
87	S	91.7	Very high	97.6	Very high	86 Å²	86	43.8 Å²	43.8	60%	0.601	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-169.2	163.7	175.6	63.6	0	0	0	0	110.2	T89 D90	S87-T89 PolarHBondContact O-N 3.37Å; S87-D90 PolarHBondContact N-O 3.26Å; S87-D90 VanDerWaalsContact N-O 3.12Å; S87-D90 PolarHBondContact O-N 3.43Å
88	G	94.4	Very high	97.6	Very high	29 Å²	29	40.9 Å²	40.9	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-97.3	178.9	0	0	0	0	0	111.6	G48 I49 S50 Y91	G48-G88 CarbonylContact C-O 3.56Å; G48-G88 VanDerWaalsContact CA-O 3.28Å; G48-G88 WeakPolarHBondContact CA-O 3.43Å; I49-G88 PolarHBondContact N-O 2.92Å; S50-G88 PolarHBondContact O-N 3.12Å; G88-Y91 VanDerWaalsContact C-OH 3.31Å; G88-Y91 PolarHBondContact N-OH 3.14Å; G88-Y91 VanDerWaalsContact N-OH 3.15Å; G88-Y91 PolarHBondContact O-OH 2.85Å
89	T	96.9	Very high	97.6	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.331	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-16.1	-176.2	46.3	0	0	0	0	113.6	S44 A45 S87	S44-T89 CarbonylContact C-O 3.53Å; S44-T89 WeakPolarHBondContact CA-O 3.25Å; A45-T89 PolarHBondContact N-O 2.85Å; S87-T89 PolarHBondContact O-N 3.37Å
90	D	97.7	Very high	97.5	Very high	102 Å²	102	43.7 Å²	43.7	55%	0.545	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	-166.5	-64.8	-84.8	0	0	0	111.1	G86 S87	G86-D90 CarbonylContact C-O 3.59Å; G86-D90 WeakPolarHBondContact CA-O 3.27Å; S87-D90 PolarHBondContact N-O 3.26Å; S87-D90 VanDerWaalsContact N-O 3.12Å; S87-D90 PolarHBondContact O-N 3.43Å
91	Y	98.1	Very high	97.5	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.027	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.4	-171.9	-57	-91.2	0	0	0	110.7	S42 C43 I49 S50 L53 T71 S85 G88	S42-Y91 WeakPolarHBondContact CA-O 3.34Å; C43-Y91 PolarHBondContact N-O 2.96Å; C43-Y91 PolarHBondContact O-N 2.83Å; I49-Y91 HydrophobicContact CD1-CD2 4.46Å; I49-Y91 HydrophobicContact CD1-CE2 3.67Å; I49-Y91 HydrophobicContact CG1-CE2 3.65Å; I49-Y91 WeakPolarHBondContact CG1-OH 3.14Å; S50-Y91 PolarHBondContact O-OH 3.08Å; L53-Y91 HydrophobicContact CB-CD1 4.09Å; L53-Y91 HydrophobicContact CB-CE1 4.11Å; L53-Y91 HydrophobicContact CB-CG 4.49Å; L53-Y91 HydrophobicContact CD1-CD1 4.05Å; L53-Y91 HydrophobicContact CD1-CD2 3.62Å; L53-Y91 HydrophobicContact CD1-CE1 4.5Å; L53-Y91 HydrophobicContact CD1-CE2 4.12Å; L53-Y91 HydrophobicContact CD1-CG 3.59Å; L53-Y91 HydrophobicContact CD2-CD1 4.19Å; L53-Y91 HydrophobicContact CD2-CG 4.2Å; L53-Y91 HydrophobicContact CG-CD1 4.33Å; L53-Y91 HydrophobicContact CG-CG 4.3Å; T71-Y91 HydrophobicContact CG2-CD1 3.69Å; T71-Y91 HydrophobicContact CG2-CE1 4.06Å; S85-Y91 CarbonylContact O-C 3.47Å; S85-Y91 WeakPolarHBondContact O-CA 3.16Å; G88-Y91 VanDerWaalsContact C-OH 3.31Å; G88-Y91 PolarHBondContact N-OH 3.14Å; G88-Y91 VanDerWaalsContact N-OH 3.15Å; G88-Y91 PolarHBondContact O-OH 2.85Å
92	S	97.7	Very high	97.4	Very high	20 Å²	20	40.7 Å²	40.7	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.7	171.1	75.3	0	0	0	0	112.8	I41 G84 S85	I41-S92 CarbonylContact O-C 3.53Å; I41-S92 WeakPolarHBondContact O-CA 3.36Å; G84-S92 WeakPolarHBondContact CA-O 3.19Å; S85-S92 PolarHBondContact N-O 2.91Å; S85-S92 PolarHBondContact O-N 2.79Å; S85-S92 PolarHBondContact OG-OG 2.94Å
93	L	98.1	Very high	97.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.5	164	178.4	66.2	0	0	0	107.6	T40 I41 W55 L67 I68 F82 S83 Y106	T40-L93 CarbonylContact C-O 3.6Å; T40-L93 VanDerWaalsContact CA-O 3.31Å; T40-L93 WeakPolarHBondContact CA-O 3.42Å; I41-L93 HydrophobicContact CB-CB 4.48Å; I41-L93 HydrophobicContact CD1-CD2 4.36Å; I41-L93 PolarHBondContact N-O 3.38Å; I41-L93 PolarHBondContact O-N 2.81Å; W55-L93 HydrophobicContact CB-CD1 4.36Å; W55-L93 HydrophobicContact CB-CD2 4.4Å; W55-L93 HydrophobicContact CD2-CB 3.6Å; W55-L93 HydrophobicContact CD2-CD1 4.46Å; W55-L93 HydrophobicContact CD2-CD2 4.12Å; W55-L93 HydrophobicContact CD2-CG 4.28Å; W55-L93 HydrophobicContact CE3-CB 3.79Å; W55-L93 HydrophobicContact CE3-CD2 3.88Å; W55-L93 HydrophobicContact CE3-CG 4.42Å; W55-L93 HydrophobicContact CG-CB 4.15Å; W55-L93 HydrophobicContact CG-CD1 4.15Å; W55-L93 HydrophobicContact CG-CD2 4.35Å; W55-L93 HydrophobicContact CG-CG 4.46Å; W55-L93 HydrophobicContact CH2-CB 3.92Å; W55-L93 HydrophobicContact CZ2-CB 3.76Å; W55-L93 VanDerWaalsContact CZ2-N 3.32Å; W55-L93 HydrophobicContact CZ3-CB 3.93Å; W55-L93 HydrophobicContact CZ3-CD2 4.46Å; L67-L93 HydrophobicContact CD1-CD2 4.29Å; I68-L93 HydrophobicContact CD1-CD1 3.64Å; I68-L93 HydrophobicContact CG1-CD1 4.47Å; F82-L93 HydrophobicContact CD1-CD1 4.33Å; S83-L93 CarbonylContact O-C 3.56Å; L93-Y106 HydrophobicContact CD2-CD1 3.46Å; L93-Y106 VanDerWaalsContact CD2-CD1 3.46Å; L93-Y106 HydrophobicContact CD2-CE1 3.92Å; L93-Y106 HydrophobicContact CD2-CG 4.25Å
94	T	98	Very high	97.2	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.1	174.4	-66.3	0	0	0	0	110.1	R38 V39 T40 F82 S83	R38-T94 HydrophobicContact CG-CG2 4.19Å; R38-T94 VanDerWaalsContact CZ-CG2 3.47Å; V39-T94 CarbonylContact O-C 3.58Å; V39-T94 VanDerWaalsContact O-CA 3.26Å; V39-T94 WeakPolarHBondContact O-CA 3.32Å; T40-T94 PolarHBondContact OG1-OG1 2.88Å; T40-T94 VanDerWaalsContact OG1-OG1 3.12Å; F82-T94 CarbonylContact C-O 3.6Å; F82-T94 WeakPolarHBondContact CA-O 3.41Å; S83-T94 PolarHBondContact N-O 3.5Å; S83-T94 PolarHBondContact O-N 2.85Å; S83-T94 WeakPolarHBondContact OG-CB 3.32Å; S83-T94 PolarHBondContact OG-O 2.81Å
95	I	98.2	Very high	97.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.2	168	-47.7	175.7	0	0	0	106	R38 V39 R81 F82 L98 D102 Y106	R38-I95 CarbonylContact C-O 3.6Å; R38-I95 WeakPolarHBondContact CA-O 3.22Å; V39-I95 HydrophobicContact CB-CB 4.3Å; V39-I95 PolarHBondContact N-O 3.13Å; V39-I95 PolarHBondContact O-N 2.9Å; R81-I95 HydrophobicContact CG-CG2 4.39Å; R81-I95 CarbonylContact O-C 3.57Å; R81-I95 WeakPolarHBondContact O-CA 3.29Å; F82-I95 HydrophobicContact CD1-CD1 4.41Å; F82-I95 HydrophobicContact CD1-CG1 3.87Å; F82-I95 HydrophobicContact CE1-CD1 3.75Å; F82-I95 HydrophobicContact CE1-CG1 3.7Å; F82-I95 HydrophobicContact CE1-CG2 4.49Å; F82-I95 HydrophobicContact CZ-CD1 4.47Å; I95-L98 HydrophobicContact CD1-CD1 4.08Å; I95-L98 HydrophobicContact CG2-CD1 4.34Å; I95-D102 HydrophobicContact CD1-CB 4.41Å; I95-Y106 HydrophobicContact CD1-CE1 4.25Å; I95-Y106 HydrophobicContact CD1-CE2 4.34Å; I95-Y106 WeakPolarHBondContact CD1-OH 3.28Å
96	S	98.4	Very high	97	Very high	60 Å²	60	45.3 Å²	45.3	42%	0.42	28%	0.277	S	S	.	.	S	Bend	trans	-75.8	-26.8	-172	59.3	0	0	0	0	114.4	R81	R81-S96 WeakPolarHBondContact CA-OG 3.37Å; R81-S96 WeakPolarHBondContact CB-OG 3.46Å; R81-S96 PolarHBondContact O-N 3.37Å; R81-S96 PolarHBondContact O-OG 2.97Å
97	N	98.2	Very high	97.1	Very high	70 Å²	70	48.2 Å²	48.2	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-148.1	96	-178.7	-178.9	70.3	0	0	0	107.7	G36 R81 E99	G36-N97 WeakPolarHBondContact CA-OD1 3.46Å; R81-N97 VanDerWaalsContact CD-O 3.3Å; R81-N97 WeakPolarHBondContact CD-O 3.26Å; N97-E99 PolarHBondContact ND2-OE1 2.82Å; N97-E99 PolarHBondContact O-N 2.94Å
98	L	98.2	Very high	97.3	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.084	25%	0.251	C	S	.	.			trans	-65.5	122.8	-174	-173.9	72.5	0	0	0	111.6	A33 L35 G36 D37 V39 I95 D102	A33-L98 HydrophobicContact CB-CD2 3.78Å; L35-L98 WeakPolarHBondContact CA-O 3.44Å; G36-L98 PolarHBondContact N-O 3.11Å; D37-L98 WeakPolarHBondContact O-CB 3.35Å; D37-L98 PolarHBondContact O-N 3.06Å; V39-L98 HydrophobicContact CG2-CD1 4.3Å; V39-L98 HydrophobicContact CG2-CD2 4.18Å; I95-L98 HydrophobicContact CD1-CD1 4.08Å; I95-L98 HydrophobicContact CG2-CD1 4.34Å; L98-D102 HydrophobicContact CD1-CB 3.68Å
99	E	98.3	Very high	97.4	Very high	64 Å²	64	46.1 Å²	46.1	30%	0.299	25%	0.25	S	C	.	.			trans	-108	161.4	177.1	-66.5	-64	163.2	0	0	111.9	N97 E101 D102	N97-E99 PolarHBondContact ND2-OE1 2.82Å; N97-E99 PolarHBondContact O-N 2.94Å; E99-E101 WeakPolarHBondContact CB-OE2 3.3Å; E99-E101 PolarHBondContact O-N 2.96Å; E99-D102 PolarHBondContact N-OD2 3.01Å; E99-D102 VanDerWaalsContact O-CB 3.3Å; E99-D102 WeakPolarHBondContact O-CB 3.25Å; E99-D102 PolarHBondContact O-N 2.86Å
100	P	97.1	Very high	97.4	Very high	71 Å²	71	44.4 Å²	44.4	46%	0.461	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-54.7	-36.6	180	-27.4	35.8	0	0	0	114.1	L35 D102 I103	L35-P100 HydrophobicContact CD1-CG 3.95Å; L35-P100 HydrophobicContact CD2-CG 3.99Å; P100-D102 PolarHBondContact O-N 2.84Å; P100-I103 WeakPolarHBondContact O-CG1 3.28Å; P100-I103 PolarHBondContact O-N 3.33Å
101	E	97.1	Very high	97.3	Very high	88 Å²	88	42.2 Å²	42.2	41%	0.411	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-71.9	-9.8	178.7	68.9	-90.6	-159.4	0	0	114.8	R81 E99	R81-E101 IonicContact CZ-OE1 3.51Å; R81-E101 IonicContact NH1-OE1 3.47Å; R81-E101 PolarHBondContact NH1-OE1 2.98Å; R81-E101 IonicContact NH2-OE1 3.55Å; R81-E101 PolarHBondContact NH2-OE1 3.16Å; E99-E101 WeakPolarHBondContact CB-OE2 3.3Å; E99-E101 PolarHBondContact O-N 2.96Å
102	D	97.2	Very high	97.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-89.1	-6.3	179.1	-57.9	-27	0	0	0	112.3	R81 F82 I95 L98 E99 P100 A104 Y106	R81-D102 WeakPolarHBondContact CD-OD2 3.35Å; R81-D102 IonicContact CZ-OD1 3.25Å; R81-D102 IonicContact CZ-OD2 2.77Å; R81-D102 IonicContact NE-OD1 2.75Å; R81-D102 PolarHBondContact NE-OD1 2.58Å; R81-D102 IonicContact NE-OD2 2.74Å; R81-D102 PolarHBondContact NE-OD2 3.5Å; R81-D102 IonicContact NH2-OD1 3.45Å; R81-D102 PolarHBondContact NH2-OD1 2.85Å; R81-D102 IonicContact NH2-OD2 3.41Å; F82-D102 HydrophobicContact CZ-CB 4.38Å; F82-D102 VanDerWaalsContact CZ-OD1 3.24Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.47Å; I95-D102 HydrophobicContact CD1-CB 4.41Å; L98-D102 HydrophobicContact CD1-CB 3.68Å; E99-D102 PolarHBondContact N-OD2 3.01Å; E99-D102 VanDerWaalsContact O-CB 3.3Å; E99-D102 WeakPolarHBondContact O-CB 3.25Å; E99-D102 PolarHBondContact O-N 2.86Å; P100-D102 PolarHBondContact O-N 2.84Å; D102-A104 PolarHBondContact O-N 3.15Å; D102-Y106 WeakPolarHBondContact O-CE2 3.35Å; D102-Y106 PolarHBondContact O-OH 3.22Å
103	I	95.8	Very high	96.7	Very high	109 Å²	109	48.4 Å²	48.4	56%	0.559	25%	0.253	S	S	*	.			trans	-70.6	102.7	175.5	-57.9	173.9	0	0	0	108.6	P100	P100-I103 WeakPolarHBondContact O-CG1 3.28Å; P100-I103 PolarHBondContact O-N 3.33Å
104	A	96.6	Very high	95.9	Very high	28 Å²	28	53.7 Å²	53.7	23%	0.231	28%	0.281	C	S	.	.	S	Bend	trans	-160.9	167.8	-169	0	0	0	0	0	111.3	Q57 Q58 D102 Y106	Q57-A104 HydrophobicContact CG-CB 3.4Å; Q57-A104 VanDerWaalsContact CG-CB 3.4Å; Q58-A104 WeakPolarHBondContact O-CA 3.38Å; Q58-A104 VanDerWaalsContact O-CB 3.24Å; Q58-A104 WeakPolarHBondContact O-CB 3Å; D102-A104 PolarHBondContact O-N 3.15Å; A104-Y106 HydrophobicContact CB-CE2 3.91Å; A104-Y106 WeakPolarHBondContact O-CD2 3.27Å; A104-Y106 WeakPolarHBondContact O-CE2 3.25Å
105	T	96.5	Very high	94.5	Very high	73 Å²	73	61.7 Å²	61.7	45%	0.448	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.4	163.9	-51.1	0	0	0	0	109.2	Q58 Y107	Q58-T105 PolarHBondContact N-O 3.19Å; Q58-T105 PolarHBondContact O-N 2.94Å; T105-Y107 HydrophobicContact CG2-CD2 4.48Å; T105-Y107 HydrophobicContact CG2-CE1 4.07Å; T105-Y107 HydrophobicContact CG2-CE2 3.66Å; T105-Y107 VanDerWaalsContact CG2-CZ 3.42Å; T105-Y107 VanDerWaalsContact CG2-OH 3.31Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.23Å
106	Y	97.1	Very high	94.3	Very high	20 Å²	20	64.8 Å²	64.8	8%	0.078	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.2	-177.6	-68.9	-93.5	0	0	0	111	Q26 I41 Y56 Q57 L67 F82 L93 I95 D102 A104	Q26-Y106 PolarHBondContact NE2-O 3.18Å; Q26-Y106 PolarHBondContact OE1-O 2.92Å; I41-Y106 HydrophobicContact CD1-CD1 4.35Å; I41-Y106 HydrophobicContact CD1-CD2 3.73Å; I41-Y106 HydrophobicContact CD1-CE2 4.42Å; I41-Y106 HydrophobicContact CD1-CG 3.69Å; Y56-Y106 WeakPolarHBondContact O-CA 3.32Å; Q57-Y106 HydrophobicContact CB-CD1 4.38Å; Q57-Y106 HydrophobicContact CB-CE1 4.08Å; Q57-Y106 HydrophobicContact CG-CE1 3.99Å; Q57-Y106 PolarHBondContact NE2-OH 2.84Å; L67-Y106 HydrophobicContact CD1-CD1 4.04Å; L67-Y106 HydrophobicContact CD1-CE1 3.66Å; F82-Y106 AromaticContact CE1-CE1 3.99Å; F82-Y106 HydrophobicContact CE1-CE1 3.99Å; L93-Y106 HydrophobicContact CD2-CD1 3.46Å; L93-Y106 VanDerWaalsContact CD2-CD1 3.46Å; L93-Y106 HydrophobicContact CD2-CE1 3.92Å; L93-Y106 HydrophobicContact CD2-CG 4.25Å; I95-Y106 HydrophobicContact CD1-CE1 4.25Å; I95-Y106 HydrophobicContact CD1-CE2 4.34Å; I95-Y106 WeakPolarHBondContact CD1-OH 3.28Å; D102-Y106 WeakPolarHBondContact O-CE2 3.35Å; D102-Y106 PolarHBondContact O-OH 3.22Å; A104-Y106 HydrophobicContact CB-CE2 3.91Å; A104-Y106 WeakPolarHBondContact O-CD2 3.27Å; A104-Y106 WeakPolarHBondContact O-CE2 3.25Å
107	Y	97	Very high	94.1	Very high	103 Å²	103	65 Å²	65	40%	0.404	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.4	-178.7	-58.8	-82.3	0	0	0	111.2	W55 Y56 Q58 T105	W55-Y107 CarbonylContact C-O 3.57Å; W55-Y107 WeakPolarHBondContact CA-O 3.48Å; Y56-Y107 PolarHBondContact N-O 3.19Å; Y56-Y107 PolarHBondContact O-N 3.34Å; Q58-Y107 HydrophobicContact CB-CD2 4.38Å; Q58-Y107 HydrophobicContact CB-CE2 3.81Å; Q58-Y107 VanDerWaalsContact OE1-CE2 3.32Å; Q58-Y107 PolarHBondContact OE1-OH 2.88Å; Q58-Y107 VanDerWaalsContact OE1-OH 3.08Å; T105-Y107 HydrophobicContact CG2-CD2 4.48Å; T105-Y107 HydrophobicContact CG2-CE1 4.07Å; T105-Y107 HydrophobicContact CG2-CE2 3.66Å; T105-Y107 VanDerWaalsContact CG2-CZ 3.42Å; T105-Y107 VanDerWaalsContact CG2-OH 3.31Å; T105-Y107 WeakPolarHBondContact CG2-OH 3.23Å
108	C	97.1	Very high	93.8	Very high	12 Å²	12	64.7 Å²	64.7	8%	0.081	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.8	163.1	61.6	0	0	0	0	110.8	Q26 C43 L53 N54 W55	Q26-C108 PolarHBondContact OE1-SG 3.41Å; C43-C108 HydrophobicContact CB-CB 3.55Å; C43-C108 WeakPolarHBondContact CB-SG 3.33Å; C43-C108 WeakPolarHBondContact SG-CB 3.24Å; C43-C108 CovalentContact SG-SG 2.02Å; C43-C108 PolarHBondContact SG-SG 2.92Å; L53-C108 HydrophobicContact CD1-CB 4.09Å; L53-C108 HydrophobicContact CD2-CB 4.36Å; L53-C108 HydrophobicContact CG-CB 4.4Å; N54-C108 CarbonylContact O-C 3.57Å; N54-C108 WeakPolarHBondContact O-CA 3.15Å; W55-C108 HydrophobicContact CD2-CB 4.29Å; W55-C108 HydrophobicContact CE3-CB 3.99Å; W55-C108 HydrophobicContact CH2-CB 3.97Å; W55-C108 HydrophobicContact CZ2-CB 4.24Å; W55-C108 HydrophobicContact CZ3-CB 3.83Å
109	Q	96.9	Very high	93.6	Very high	59 Å²	59	67.6 Å²	67.6	28%	0.276	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.7	178.5	178.2	-97.2	-33.7	0	0	110.1	L53 N54 Y56	L53-Q109 WeakPolarHBondContact CA-O 3.41Å; N54-Q109 PolarHBondContact N-O 3.36Å; N54-Q109 PolarHBondContact ND2-OE1 2.86Å; N54-Q109 PolarHBondContact O-N 2.95Å; Y56-Q109 HydrophobicContact CD2-CB 4.36Å; Y56-Q109 HydrophobicContact CE2-CB 3.91Å
110	Q	96.1	Very high	93.3	Very high	18 Å²	18	67.8 Å²	67.8	8%	0.084	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	142.4	170.9	70.9	79.1	22	0	0	111.1	I22 M24 I49 Y52 K113	I22-Q110 HydrophobicContact CB-CG 4.13Å; I22-Q110 HydrophobicContact CG2-CG 3.95Å; M24-Q110 HydrophobicContact CE-CB 4.28Å; M24-Q110 HydrophobicContact CG-CB 4.49Å; M24-Q110 HydrophobicContact CG-CG 4.06Å; M24-Q110 HydrophobicContact SD-CB 3.6Å; M24-Q110 HydrophobicContact SD-CG 3.46Å; M24-Q110 WeakPolarHBondContact SD-CG 3.47Å; I49-Q110 HydrophobicContact CB-CB 4.44Å; I49-Q110 HydrophobicContact CD1-CB 3.39Å; I49-Q110 HydrophobicContact CG1-CB 4.48Å; I49-Q110 HydrophobicContact CG2-CB 4.09Å; I49-Q110 HydrophobicContact CG2-CG 4.47Å; Y52-Q110 VanDerWaalsContact O-CA 3.3Å; Y52-Q110 WeakPolarHBondContact O-CA 3.33Å; Q110-K113 PolarHBondContact NE2-O 2.98Å; Q110-K113 VanDerWaalsContact OE1-N 3.09Å; Q110-K113 PolarHBondContact OE1-O 3.01Å
111	Y	95.2	Very high	93	Very high	57 Å²	57	67.6 Å²	67.6	22%	0.224	36%	0.357	C	S	.	.			trans	-128	19.8	171.9	58.6	-85.2	0	0	0	112.9	Y52 N54 Y70 K113	Y52-Y111 VanDerWaalsContact CA-CZ 3.47Å; Y52-Y111 HydrophobicContact CD1-CD2 4.02Å; Y52-Y111 AromaticContact CD1-CE2 3.36Å; Y52-Y111 HydrophobicContact CD1-CE2 3.36Å; Y52-Y111 AromaticContact CD1-CZ 3.87Å; Y52-Y111 HydrophobicContact CE1-CE2 4.31Å; Y52-Y111 HydrophobicContact CG-CD2 4.25Å; Y52-Y111 AromaticContact CG-CE2 3.96Å; Y52-Y111 HydrophobicContact CG-CE2 3.96Å; Y52-Y111 WeakPolarHBondContact O-CD1 3Å; Y52-Y111 PolarHBondContact O-N 3.01Å; N54-Y111 WeakPolarHBondContact ND2-CD1 3.22Å; N54-Y111 WeakPolarHBondContact OD1-CE1 3.32Å; Y70-Y111 WeakPolarHBondContact CD1-OH 3.41Å; Y70-Y111 HydrophobicContact CE1-CE2 4.05Å; Y70-Y111 AromaticContact CE1-CZ 3.95Å; Y70-Y111 WeakPolarHBondContact CE1-OH 2.85Å; Y111-K113 VanDerWaalsContact C-N 3.27Å
112	S	94.3	Very high	92.8	Very high	52 Å²	52	66.1 Å²	66.1	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-67.5	-32.5	173.8	-173.6	0	0	0	0	111.8
113	K	89.5	Confident	92.4	Very high	104 Å²	104	71 Å²	71	45%	0.452	38%	0.379	S	S	.	.	S	Bend	trans	-149.8	110.1	175.2	-174.9	-177.3	176	-165.6	0	108.8	C20 I22 Q110 Y111	C20-K113 PolarHBondContact O-NZ 2.95Å; I22-K113 HydrophobicContact CD1-CB 3.91Å; Q110-K113 PolarHBondContact NE2-O 2.98Å; Q110-K113 VanDerWaalsContact OE1-N 3.09Å; Q110-K113 PolarHBondContact OE1-O 3.01Å; Y111-K113 VanDerWaalsContact C-N 3.27Å
114	L	81.2	Confident	92.1	Very high	113 Å²	113	67.8 Å²	67.8	59%	0.592	36%	0.364	S	S	*	.			trans	-84.3	149.9	174	-58.8	176.6	0	0	0	109.5
115	P	68	Low	91.7	Very high	175 Å²	175	71.5 Å²	71.5	100%	1.136	38%	0.376	S	S	*	.			trans	-53.5	0	167.8	-22.9	33.4	0	0	0	112.9

Retrieved 115 of 115 residues in 69.7 ms (Link to these results)

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