A0A075B5K3_MOUSE Loading...

Immunoglobulin kappa variable 17-121

AlphaFold DB , UniProt , Accession A0A075B5K3, Species MOUSE (Mus musculus, Mouse), Gene Igkv17-121, Length 116 aa.

						>A0A075B5K3_MOUSE|A0A075B5K3|Igkv17-121
MTMFSLALLLSLLLLCVSGKAETTVTQSPASLSMAIGEKVTIRCITSTDIDDDMNWYQQKPGEPPKLLISEGNTLRPGVPSRFSSSGYGTDFVFTIENMLSEDVADYYCLQSDNLP
					

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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	40.7	Very low	57.3	Low	238 Å²	238	119.5 Å²	119.5	100%	1.172	65%	0.646	S	S	*	*				0	91.4	0	-68.4	159.9	70.5	0	0	107.4	M3	M1-M3 PolarHBondContact O-N 2.8Å
2	T	50.1	Low	57.1	Low	114 Å²	114	118.8 Å²	118.8	70%	0.699	64%	0.641	S	S	*	*			trans	-77.6	106.5	178.2	41.9	0	0	0	0	108.3	F4	T2-F4 PolarHBondContact O-N 2.9Å; T2-F4 VanDerWaalsContact O-N 3.14Å
3	M	55.3	Low	56.9	Low	182 Å²	182	118.3 Å²	118.3	90%	0.897	64%	0.637	S	S	*	*			trans	-71.4	102.9	170.1	-71.8	178.7	63.8	0	0	107.9	M1 S5	M1-M3 PolarHBondContact O-N 2.8Å; M3-S5 PolarHBondContact O-N 3.45Å; M3-S5 VanDerWaalsContact O-N 3.08Å
4	F	52.5	Low	56.5	Low	154 Å²	154	116.9 Å²	116.9	68%	0.675	63%	0.629	S	S	*	*			trans	-67	107	166.3	-68.7	-76.7	0	0	0	107.3	T2 L6 L9	T2-F4 PolarHBondContact O-N 2.9Å; T2-F4 VanDerWaalsContact O-N 3.14Å; F4-L6 PolarHBondContact O-N 2.81Å; F4-L9 HydrophobicContact CB-CD1 4.33Å
5	S	61.2	Low	56.3	Low	61 Å²	61	117.5 Å²	117.5	43%	0.427	63%	0.631	S	S	.	*			trans	-56.9	135.8	179	177.4	0	0	0	0	109.8	M3 A7 L8 L9	M3-S5 PolarHBondContact O-N 3.45Å; M3-S5 VanDerWaalsContact O-N 3.08Å; S5-A7 PolarHBondContact O-N 3.16Å; S5-A7 PolarHBondContact OG-N 3.39Å; S5-L8 WeakPolarHBondContact O-CA 3.46Å; S5-L8 WeakPolarHBondContact O-CB 3.37Å; S5-L8 PolarHBondContact O-N 2.97Å; S5-L9 PolarHBondContact O-N 3.06Å
6	L	62.9	Low	56	Low	147 Å²	147	116.5 Å²	116.5	77%	0.77	63%	0.634	S	S	*	*	H	α-helix	trans	-52.1	-30.1	173.1	-111.4	91.4	0	0	0	111.7	F4 L9 L10	F4-L6 PolarHBondContact O-N 2.81Å; L6-L9 PolarHBondContact O-N 2.75Å; L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 PolarHBondContact O-N 2.85Å
7	A	68.1	Low	55.8	Low	66 Å²	66	116.5 Å²	116.5	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-65.7	-36.8	175.8	0	0	0	0	0	112.8	S5 S11	S5-A7 PolarHBondContact O-N 3.16Å; S5-A7 PolarHBondContact OG-N 3.39Å; A7-S11 VanDerWaalsContact O-CB 3.29Å; A7-S11 WeakPolarHBondContact O-CB 3.3Å; A7-S11 PolarHBondContact O-N 3.23Å; A7-S11 PolarHBondContact O-OG 3.02Å
8	L	62.5	Low	55.5	Low	98 Å²	98	115.1 Å²	115.1	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-70.1	-38.4	174.7	-77.7	160.3	0	0	0	111.3	S5 S11 L12	S5-L8 WeakPolarHBondContact O-CA 3.46Å; S5-L8 WeakPolarHBondContact O-CB 3.37Å; S5-L8 PolarHBondContact O-N 2.97Å; L8-S11 WeakPolarHBondContact CA-OG 3.49Å; L8-S11 PolarHBondContact O-OG 2.84Å; L8-S11 VanDerWaalsContact O-OG 3.05Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.7Å
9	L	61.1	Low	55.4	Low	100 Å²	100	111.9 Å²	111.9	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-65.5	-44.4	173.8	-97.5	139.4	0	0	0	111.3	F4 S5 L6 L12 L13	F4-L9 HydrophobicContact CB-CD1 4.33Å; S5-L9 PolarHBondContact O-N 3.06Å; L6-L9 PolarHBondContact O-N 2.75Å; L9-L12 PolarHBondContact O-N 3.44Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 3.01Å
10	L	58.2	Low	55.5	Low	107 Å²	107	116.2 Å²	116.2	56%	0.56	65%	0.646	S	S	*	*	H	α-helix	trans	-67.7	-38.7	177.8	-150.8	78.3	0	0	0	111.1	L6 L13 L14	L6-L10 WeakPolarHBondContact O-CB 3.32Å; L6-L10 PolarHBondContact O-N 2.85Å; L10-L13 PolarHBondContact O-N 3.18Å; L10-L14 HydrophobicContact CD2-CD1 4.45Å; L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 VanDerWaalsContact O-CB 3.27Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 2.71Å
11	S	58.2	Low	55.7	Low	47 Å²	47	114.5 Å²	114.5	33%	0.329	65%	0.647	S	S	.	*	H	α-helix	trans	-68.2	-40.8	175.2	71.7	0	0	0	0	111.8	A7 L8 L14 L15	A7-S11 VanDerWaalsContact O-CB 3.29Å; A7-S11 WeakPolarHBondContact O-CB 3.3Å; A7-S11 PolarHBondContact O-N 3.23Å; A7-S11 PolarHBondContact O-OG 3.02Å; L8-S11 WeakPolarHBondContact CA-OG 3.49Å; L8-S11 PolarHBondContact O-OG 2.84Å; L8-S11 VanDerWaalsContact O-OG 3.05Å; S11-L14 PolarHBondContact O-N 2.88Å; S11-L15 VanDerWaalsContact O-CB 3.3Å; S11-L15 WeakPolarHBondContact O-CB 3.31Å; S11-L15 WeakPolarHBondContact O-CD1 3.26Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.42Å
12	L	54.8	Low	57.4	Low	112 Å²	112	110.2 Å²	110.2	59%	0.586	62%	0.624	S	S	*	*	H	α-helix	trans	-63	-42.4	171.2	-111.6	76.8	0	0	0	111.5	L8 L9 L14 L15 C16	L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 2.7Å; L9-L12 PolarHBondContact O-N 3.44Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.14Å; L12-C16 WeakPolarHBondContact O-CB 3.26Å; L12-C16 PolarHBondContact O-N 2.86Å; L12-C16 PolarHBondContact O-SG 2.87Å
13	L	54.4	Low	59.1	Low	112 Å²	112	105.3 Å²	105.3	59%	0.586	59%	0.594	S	S	*	*	H	α-helix	trans	-61.6	-43.8	175.8	-123.3	78.7	0	0	0	110.8	L9 L10 C16 V17	L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.18Å; L13-C16 CarbonylContact O-C 3.53Å; L13-C16 WeakPolarHBondContact O-CA 3.49Å; L13-C16 WeakPolarHBondContact O-CB 3.33Å; L13-C16 PolarHBondContact O-N 3.25Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.89Å
14	L	51.1	Low	60.9	Low	99 Å²	99	100.3 Å²	100.3	52%	0.518	57%	0.574	S	S	.	*	H	α-helix	trans	-67.2	-37.3	178	-75.9	160.3	0	0	0	112.7	L10 S11 L12 C16 V17 S18	L10-L14 HydrophobicContact CD2-CD1 4.45Å; L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 VanDerWaalsContact O-CB 3.27Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 2.71Å; S11-L14 PolarHBondContact O-N 2.88Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.08Å; L14-C16 VanDerWaalsContact C-N 3.33Å; L14-V17 HydrophobicContact CD2-CG2 4.36Å; L14-V17 WeakPolarHBondContact O-CG2 3.37Å; L14-V17 PolarHBondContact O-N 2.85Å; L14-S18 WeakPolarHBondContact O-CB 3.36Å; L14-S18 PolarHBondContact O-N 2.63Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 3.13Å
15	L	52.9	Low	62.9	Low	126 Å²	126	95.7 Å²	95.7	66%	0.66	56%	0.558	S	S	*	*	H	α-helix	trans	-67.5	-34.3	170.5	-82.5	148.5	0	0	0	111	S11 L12 S18	S11-L15 VanDerWaalsContact O-CB 3.3Å; S11-L15 WeakPolarHBondContact O-CB 3.31Å; S11-L15 WeakPolarHBondContact O-CD1 3.26Å; S11-L15 WeakPolarHBondContact O-CG 3.39Å; S11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.14Å; L15-S18 PolarHBondContact O-N 3.41Å
16	C	52.7	Low	64.6	Low	101 Å²	101	96.9 Å²	96.9	68%	0.682	56%	0.562	S	S	*	*	H	α-helix	trans	-72.2	-34.8	173.9	-74.9	0	0	0	0	113.4	L12 L13 L14 S18	L12-C16 WeakPolarHBondContact O-CB 3.26Å; L12-C16 PolarHBondContact O-N 2.86Å; L12-C16 PolarHBondContact O-SG 2.87Å; L13-C16 CarbonylContact O-C 3.53Å; L13-C16 WeakPolarHBondContact O-CA 3.49Å; L13-C16 WeakPolarHBondContact O-CB 3.33Å; L13-C16 PolarHBondContact O-N 3.25Å; L14-C16 VanDerWaalsContact C-N 3.33Å; C16-S18 VanDerWaalsContact C-N 3.27Å
17	V	52.7	Low	66.3	Low	117 Å²	117	92.8 Å²	92.8	71%	0.709	54%	0.54	S	S	*	.	H	α-helix	trans	-78.8	-9.6	172.5	-79	0	0	0	0	113.5	L13 L14	L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.89Å; L14-V17 HydrophobicContact CD2-CG2 4.36Å; L14-V17 WeakPolarHBondContact O-CG2 3.37Å; L14-V17 PolarHBondContact O-N 2.85Å
18	S	49.8	Very low	67.7	Low	91 Å²	91	92.1 Å²	92.1	64%	0.636	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	3.8	174.4	-53.9	0	0	0	0	113.1	L14 L15 C16 K20	L14-S18 WeakPolarHBondContact O-CB 3.36Å; L14-S18 PolarHBondContact O-N 2.63Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 3.13Å; L15-S18 PolarHBondContact O-N 3.41Å; C16-S18 VanDerWaalsContact C-N 3.27Å; S18-K20 PolarHBondContact O-N 2.89Å; S18-K20 VanDerWaalsContact O-N 3.13Å
19	G	54.3	Low	69.4	Low	55 Å²	55	90.4 Å²	90.4	57%	0.567	53%	0.525	S	S	*	.	S	Bend	trans	-64.6	111.4	169.5	0	0	0	0	0	108.7	A21	G19-A21 PolarHBondContact O-N 2.84Å
20	K	56.6	Low	71	Confident	197 Å²	197	90.7 Å²	90.7	86%	0.857	54%	0.542	S	S	*	.			trans	-46.1	136.4	167.1	-66.9	176	178.7	178.3	0	108	S18 E22	S18-K20 PolarHBondContact O-N 2.89Å; S18-K20 VanDerWaalsContact O-N 3.13Å; K20-E22 PolarHBondContact O-N 2.87Å
21	A	60.2	Low	72.7	Confident	81 Å²	81	90.6 Å²	90.6	67%	0.669	55%	0.55	S	S	*	*			trans	-50.1	106.5	-176.4	0	0	0	0	0	109.8	G19 T23	G19-A21 PolarHBondContact O-N 2.84Å; A21-T23 PolarHBondContact O-N 2.82Å
22	E	75.3	Confident	74.3	Confident	148 Å²	148	92 Å²	92	69%	0.692	55%	0.554	S	S	*	*			trans	-74.1	117.7	179.6	-173.9	174.5	-176.5	0	0	107.5	K20 T24	K20-E22 PolarHBondContact O-N 2.87Å; E22-T24 PolarHBondContact O-N 2.86Å; E22-T24 VanDerWaalsContact O-N 3.15Å
23	T	87	Confident	76.2	Confident	10 Å²	10	92.6 Å²	92.6	6%	0.061	57%	0.567	C	S	.	*			trans	-71.1	109.9	174.3	-59.3	0	0	0	0	108.7	A21 T46 T48 I50 Q111 N114	A21-T23 PolarHBondContact O-N 2.82Å; T23-T46 HydrophobicContact CG2-CG2 4.31Å; T23-T48 WeakPolarHBondContact CG2-OG1 3.29Å; T23-T48 PolarHBondContact OG1-OG1 3.26Å; T23-I50 HydrophobicContact CG2-CG2 3.83Å; T23-Q111 HydrophobicContact CG2-CG 3.94Å; T23-N114 PolarHBondContact OG1-ND2 3.28Å
24	T	92.5	Very high	77.9	Confident	78 Å²	78	90 Å²	90	48%	0.479	55%	0.553	S	S	.	*			trans	-83.8	148.4	174	63.6	0	0	0	0	110.7	E22 T46 S47	E22-T24 PolarHBondContact O-N 2.86Å; E22-T24 VanDerWaalsContact O-N 3.15Å; T24-T46 CarbonylContact O-C 3.59Å; T24-T46 VanDerWaalsContact O-CA 3.3Å; T24-T46 WeakPolarHBondContact O-CA 3.45Å; T24-S47 PolarHBondContact N-OG 3.16Å; T24-S47 PolarHBondContact O-N 2.8Å; T24-S47 WeakPolarHBondContact OG1-CB 3.14Å; T24-S47 PolarHBondContact OG1-OG 3.45Å
25	V	93.8	Very high	80	Confident	56 Å²	56	87.9 Å²	87.9	34%	0.339	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.3	-176.5	-174.7	0	0	0	0	109.2	C44 I45 T46 C109 Q111	V25-C44 WeakPolarHBondContact CG1-SG 3.47Å; V25-I45 CarbonylContact C-O 3.53Å; V25-I45 WeakPolarHBondContact CA-O 3.37Å; V25-T46 HydrophobicContact CG2-CG2 4.21Å; V25-C109 WeakPolarHBondContact CG1-SG 3.44Å; V25-Q111 HydrophobicContact CG2-CB 4.4Å; V25-Q111 HydrophobicContact CG2-CG 3.82Å
26	T	97.6	Very high	82	Confident	86 Å²	86	87.6 Å²	87.6	53%	0.528	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	118.4	177.3	-58.9	0	0	0	0	110.2	C44 I45	T26-C44 WeakPolarHBondContact O-CA 3.15Å; T26-I45 PolarHBondContact N-O 3.41Å; T26-I45 PolarHBondContact O-N 2.79Å
27	Q	98.2	Very high	84.2	Confident	62 Å²	62	84.5 Å²	84.5	29%	0.29	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.3	178.4	-169.8	175	-79.1	0	0	111.7	I42 R43 Y107 C109	Q27-I42 HydrophobicContact CG-CG2 3.62Å; Q27-R43 CarbonylContact C-O 3.57Å; Q27-R43 WeakPolarHBondContact CA-O 3.5Å; Q27-Y107 PolarHBondContact NE2-O 2.85Å; Q27-C109 PolarHBondContact OE1-SG 3.17Å
28	S	98.1	Very high	86.3	Confident	51 Å²	51	83.3 Å²	83.3	36%	0.357	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.8	176.2	62.9	0	0	0	0	112.4	I42 R43	S28-I42 CarbonylContact O-C 3.56Å; S28-I42 WeakPolarHBondContact O-CA 3.3Å; S28-R43 PolarHBondContact N-O 2.8Å; S28-R43 PolarHBondContact O-N 3.02Å
29	P	97.9	Very high	88.6	Confident	62 Å²	62	83.8 Å²	83.8	40%	0.403	51%	0.51	S	S	.	.			cis	-70.4	161.9	-10.9	33.3	-36.2	0	0	0	111.6	S31 L32	P29-S31 VanDerWaalsContact C-N 3.31Å; P29-L32 HydrophobicContact CG-CB 4.07Å; P29-L32 HydrophobicContact CG-CD2 4.42Å
30	A	93.9	Very high	90.7	Very high	106 Å²	106	81.3 Å²	81.3	88%	0.876	48%	0.484	S	S	*	.	S	Bend	trans	-71.6	-27.5	177.7	0	0	0	0	0	112.9
31	S	94.4	Very high	92.7	Very high	105 Å²	105	75 Å²	75	73%	0.734	46%	0.462	S	S	*	.			trans	-152.9	154.8	172	60.6	0	0	0	0	108.7	P29	P29-S31 VanDerWaalsContact C-N 3.31Å
32	L	92.5	Very high	94.5	Very high	76 Å²	76	71.6 Å²	71.6	40%	0.398	43%	0.433	S	S	.	.			trans	-146.5	152.1	175.5	82.8	92.7	0	0	0	109.5	P29 M34 V40	P29-L32 HydrophobicContact CG-CB 4.07Å; P29-L32 HydrophobicContact CG-CD2 4.42Å; L32-M34 HydrophobicContact CD1-CB 3.68Å; L32-M34 HydrophobicContact CD1-CG 3.18Å; L32-M34 HydrophobicContact CD1-SD 3.31Å; L32-M34 WeakPolarHBondContact CD1-SD 3.49Å; L32-V40 HydrophobicContact CD2-CG1 3.56Å
33	S	93.2	Very high	95.6	Very high	125 Å²	125	69 Å²	69	87%	0.874	42%	0.417	S	S	*	.			trans	-125.1	124.3	170.4	-176.3	0	0	0	0	108.1
34	M	91.2	Very high	96.1	Very high	59 Å²	59	68.6 Å²	68.6	29%	0.291	41%	0.414	S	S	.	.			trans	-137.3	154.6	-174.6	-80.4	-178.2	79.1	0	0	111.4	L32 E38 K39 V40 M99	L32-M34 HydrophobicContact CD1-CB 3.68Å; L32-M34 HydrophobicContact CD1-CG 3.18Å; L32-M34 HydrophobicContact CD1-SD 3.31Å; L32-M34 WeakPolarHBondContact CD1-SD 3.49Å; M34-E38 WeakPolarHBondContact CA-OE2 2.9Å; M34-E38 WeakPolarHBondContact CB-OE2 3.31Å; M34-E38 HydrophobicContact CE-CB 3.23Å; M34-E38 HydrophobicContact CE-CG 4.31Å; M34-K39 WeakPolarHBondContact CE-O 3.23Å; M34-V40 HydrophobicContact CE-CG2 4.44Å; M34-V40 HydrophobicContact SD-CB 4.24Å; M34-V40 HydrophobicContact SD-CG2 3.71Å; M34-M99 HydrophobicContact CB-CE 3.65Å; M34-M99 HydrophobicContact CB-SD 4.21Å; M34-M99 VanDerWaalsContact O-CE 3.23Å; M34-M99 WeakPolarHBondContact O-CE 3.43Å
35	A	94.3	Very high	96.4	Very high	54 Å²	54	67.6 Å²	67.6	45%	0.446	41%	0.405	S	S	.	.			trans	-82.6	154	175	0	0	0	0	0	111.4	G37 E38	A35-G37 PolarHBondContact O-N 3.21Å; A35-E38 HydrophobicContact CB-CG 4.01Å; A35-E38 PolarHBondContact N-OE2 3.37Å; A35-E38 WeakPolarHBondContact O-CB 3.31Å; A35-E38 WeakPolarHBondContact O-CG 3.23Å; A35-E38 PolarHBondContact O-N 3.45Å; A35-E38 VanDerWaalsContact O-N 3.16Å
36	I	96.4	Very high	96.5	Very high	120 Å²	120	65.2 Å²	65.2	62%	0.615	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	134.7	172.1	-64.9	173.5	0	0	0	108.9	M99	I36-M99 CarbonylContact C-O 3.55Å; I36-M99 WeakPolarHBondContact CA-O 3.41Å; I36-M99 WeakPolarHBondContact CG2-O 3.5Å
37	G	97.5	Very high	96.4	Very high	36 Å²	36	64.4 Å²	64.4	37%	0.371	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-9.7	-178.2	0	0	0	0	0	114.7	A35 N98 M99	A35-G37 PolarHBondContact O-N 3.21Å; G37-N98 VanDerWaalsContact CA-OD1 3.32Å; G37-N98 WeakPolarHBondContact CA-OD1 3.17Å; G37-M99 PolarHBondContact N-O 2.81Å
38	E	98	Very high	96.2	Very high	92 Å²	92	63.7 Å²	63.7	43%	0.43	39%	0.388	S	S	.	.			trans	-79.5	164	175.5	-60.2	-172.8	138.2	0	0	112.4	M34 A35 M99	M34-E38 WeakPolarHBondContact CA-OE2 2.9Å; M34-E38 WeakPolarHBondContact CB-OE2 3.31Å; M34-E38 HydrophobicContact CE-CB 3.23Å; M34-E38 HydrophobicContact CE-CG 4.31Å; A35-E38 HydrophobicContact CB-CG 4.01Å; A35-E38 PolarHBondContact N-OE2 3.37Å; A35-E38 WeakPolarHBondContact O-CB 3.31Å; A35-E38 WeakPolarHBondContact O-CG 3.23Å; A35-E38 PolarHBondContact O-N 3.45Å; A35-E38 VanDerWaalsContact O-N 3.16Å; E38-M99 VanDerWaalsContact O-CB 3.3Å; E38-M99 WeakPolarHBondContact O-CB 3.41Å; E38-M99 PolarHBondContact O-N 2.73Å
39	K	98.1	Very high	96.1	Very high	100 Å²	100	66 Å²	66	44%	0.435	40%	0.397	S	S	.	.			trans	-92.8	115.8	178.4	174.3	-174.6	170.8	127.1	0	111.2	M34 T95 I96 E97	M34-K39 WeakPolarHBondContact CE-O 3.23Å; K39-T95 HydrophobicContact CD-CG2 4.14Å; K39-T95 VanDerWaalsContact CE-CG2 3.45Å; K39-T95 HydrophobicContact CG-CG2 3.81Å; K39-I96 CarbonylContact C-O 3.53Å; K39-I96 VanDerWaalsContact CA-O 3.31Å; K39-I96 WeakPolarHBondContact CA-O 3.43Å; K39-E97 WeakPolarHBondContact CD-OE1 3.3Å; K39-E97 WeakPolarHBondContact CE-OE1 3.48Å; K39-E97 IonicContact NZ-OE1 2.71Å; K39-E97 PolarHBondContact NZ-OE1 2.81Å
40	V	97.6	Very high	96	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	142	171.7	176.7	0	0	0	0	109.9	L32 M34 I42 T95 I96 M99	L32-V40 HydrophobicContact CD2-CG1 3.56Å; M34-V40 HydrophobicContact CE-CG2 4.44Å; M34-V40 HydrophobicContact SD-CB 4.24Å; M34-V40 HydrophobicContact SD-CG2 3.71Å; V40-I42 HydrophobicContact CG1-CD1 4.39Å; V40-I42 HydrophobicContact CG1-CG1 4.05Å; V40-T95 VanDerWaalsContact O-CA 3.29Å; V40-T95 WeakPolarHBondContact O-CA 3.15Å; V40-T95 WeakPolarHBondContact O-CG2 3.33Å; V40-I96 HydrophobicContact CB-CB 3.98Å; V40-I96 HydrophobicContact CB-CD1 4.41Å; V40-I96 HydrophobicContact CB-CG1 4.33Å; V40-I96 HydrophobicContact CG2-CB 4.36Å; V40-I96 PolarHBondContact N-O 3.17Å; V40-I96 PolarHBondContact O-N 2.84Å; V40-I96 VanDerWaalsContact O-N 3.08Å; V40-M99 HydrophobicContact CG2-CB 4.18Å; V40-M99 HydrophobicContact CG2-CG 4.07Å; V40-M99 HydrophobicContact CG2-SD 3.41Å; V40-M99 WeakPolarHBondContact CG2-SD 3.33Å
41	T	98.2	Very high	96.1	Very high	64 Å²	64	61.4 Å²	61.4	39%	0.393	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.7	171.4	-59.7	0	0	0	0	109.7	V93 F94	T41-V93 HydrophobicContact CG2-CG1 3.51Å; T41-F94 WeakPolarHBondContact CA-O 3.23Å
42	I	98.5	Very high	96.2	Very high	10 Å²	10	59.6 Å²	59.6	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	176.1	-53.8	177.3	0	0	0	107.2	Q27 S28 V40 W56 V93 F94 Y107	Q27-I42 HydrophobicContact CG-CG2 3.62Å; S28-I42 CarbonylContact O-C 3.56Å; S28-I42 WeakPolarHBondContact O-CA 3.3Å; V40-I42 HydrophobicContact CG1-CD1 4.39Å; V40-I42 HydrophobicContact CG1-CG1 4.05Å; I42-W56 HydrophobicContact CB-CH2 4.34Å; I42-W56 HydrophobicContact CB-CZ3 4.12Å; I42-W56 HydrophobicContact CG2-CH2 4.08Å; I42-W56 HydrophobicContact CG2-CZ3 3.75Å; I42-V93 CarbonylContact O-C 3.54Å; I42-V93 WeakPolarHBondContact O-CA 3.28Å; I42-F94 HydrophobicContact CB-CB 4.43Å; I42-F94 HydrophobicContact CB-CD1 4.49Å; I42-F94 HydrophobicContact CD1-CD1 4.13Å; I42-F94 HydrophobicContact CG1-CD1 4.44Å; I42-F94 PolarHBondContact N-O 3.11Å; I42-F94 PolarHBondContact O-N 3.38Å; I42-Y107 HydrophobicContact CD1-CD2 4.23Å; I42-Y107 HydrophobicContact CD1-CG 3.96Å
43	R	98.4	Very high	96.4	Very high	94 Å²	94	58 Å²	58	36%	0.355	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.2	-179.8	-172.1	165.1	178.1	-104.9	0.5	110.4	Q27 S28 I45 D91 F92 V93	Q27-R43 CarbonylContact C-O 3.57Å; Q27-R43 WeakPolarHBondContact CA-O 3.5Å; S28-R43 PolarHBondContact N-O 2.8Å; S28-R43 PolarHBondContact O-N 3.02Å; R43-I45 HydrophobicContact CG-CG1 4.41Å; R43-D91 IonicContact CZ-OD1 3.26Å; R43-D91 VanDerWaalsContact CZ-OD1 3.26Å; R43-D91 IonicContact CZ-OD2 3.35Å; R43-D91 VanDerWaalsContact NE-CG 3.35Å; R43-D91 IonicContact NE-OD1 2.69Å; R43-D91 PolarHBondContact NE-OD1 3.35Å; R43-D91 IonicContact NE-OD2 3.28Å; R43-D91 PolarHBondContact NE-OD2 2.9Å; R43-D91 IonicContact NH2-OD1 3.24Å; R43-D91 PolarHBondContact NH2-OD1 2.97Å; R43-D91 IonicContact NH2-OD2 2.65Å; R43-D91 PolarHBondContact NH2-OD2 3.15Å; R43-F92 CarbonylContact C-O 3.58Å; R43-F92 WeakPolarHBondContact CA-O 3.4Å; R43-V93 HydrophobicContact CB-CG2 4.46Å; R43-V93 HydrophobicContact CG-CG2 4.09Å
44	C	98.3	Very high	96.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.7	178.5	-168.1	0	0	0	0	109.2	V25 T26 M54 W56 F92 C109	V25-C44 WeakPolarHBondContact CG1-SG 3.47Å; T26-C44 WeakPolarHBondContact O-CA 3.15Å; C44-M54 HydrophobicContact CB-CE 4.1Å; C44-M54 HydrophobicContact CB-SD 4.45Å; C44-M54 WeakPolarHBondContact SG-CE 3.31Å; C44-W56 HydrophobicContact CB-CH2 3.6Å; C44-W56 HydrophobicContact CB-CZ2 3.82Å; C44-W56 HydrophobicContact CB-CZ3 4.48Å; C44-F92 HydrophobicContact CB-CB 4.45Å; C44-F92 PolarHBondContact N-O 3.38Å; C44-F92 PolarHBondContact O-N 2.85Å; C44-C109 HydrophobicContact CB-CB 3.47Å; C44-C109 VanDerWaalsContact CB-CB 3.47Å; C44-C109 WeakPolarHBondContact CB-SG 3.29Å; C44-C109 WeakPolarHBondContact SG-CB 3.33Å; C44-C109 CovalentContact SG-SG 2.02Å; C44-C109 PolarHBondContact SG-SG 3.3Å
45	I	98.3	Very high	96.9	Very high	58 Å²	58	50 Å²	50	30%	0.297	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.7	178.5	-52.2	173.2	0	0	0	108.6	V25 T26 R43 T90	V25-I45 CarbonylContact C-O 3.53Å; V25-I45 WeakPolarHBondContact CA-O 3.37Å; T26-I45 PolarHBondContact N-O 3.41Å; T26-I45 PolarHBondContact O-N 2.79Å; R43-I45 HydrophobicContact CG-CG1 4.41Å; I45-T90 CarbonylContact C-O 3.59Å; I45-T90 VanDerWaalsContact CA-O 3.24Å; I45-T90 WeakPolarHBondContact CA-O 3.43Å; I45-T90 WeakPolarHBondContact CG2-O 3.35Å
46	T	96.1	Very high	97.1	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	150.2	172.5	58.8	0	0	0	0	111.2	T23 T24 V25 T48 I50 M54 G89 T90 Q111	T23-T46 HydrophobicContact CG2-CG2 4.31Å; T24-T46 CarbonylContact O-C 3.59Å; T24-T46 VanDerWaalsContact O-CA 3.3Å; T24-T46 WeakPolarHBondContact O-CA 3.45Å; V25-T46 HydrophobicContact CG2-CG2 4.21Å; T46-T48 VanDerWaalsContact C-N 3.27Å; T46-T48 WeakPolarHBondContact CB-O 3.33Å; T46-T48 PolarHBondContact O-N 2.92Å; T46-T48 PolarHBondContact OG1-O 2.8Å; T46-I50 HydrophobicContact CG2-CD1 3.98Å; T46-I50 HydrophobicContact CG2-CG1 4.2Å; T46-I50 HydrophobicContact CG2-CG2 4.43Å; T46-M54 HydrophobicContact CG2-CE 3.84Å; T46-G89 PolarHBondContact OG1-O 2.84Å; T46-T90 PolarHBondContact N-O 2.77Å; T46-T90 WeakPolarHBondContact OG1-CA 3.24Å; T46-Q111 HydrophobicContact CG2-CB 4.29Å
47	S	95.4	Very high	97.2	Very high	68 Å²	68	44.5 Å²	44.5	48%	0.476	24%	0.237	S	C	.	.	S	Bend	trans	-75.2	-15.5	178.7	54.2	0	0	0	0	114.4	T24	T24-S47 PolarHBondContact N-OG 3.16Å; T24-S47 PolarHBondContact O-N 2.8Å; T24-S47 WeakPolarHBondContact OG1-CB 3.14Å; T24-S47 PolarHBondContact OG1-OG 3.45Å
48	T	93.9	Very high	97.3	Very high	47 Å²	47	43.8 Å²	43.8	29%	0.288	22%	0.224	S	C	.	.	S	Bend	trans	-132.5	155.2	175.5	59.3	0	0	0	0	109.1	T23 T46 I50	T23-T48 WeakPolarHBondContact CG2-OG1 3.29Å; T23-T48 PolarHBondContact OG1-OG1 3.26Å; T46-T48 VanDerWaalsContact C-N 3.27Å; T46-T48 WeakPolarHBondContact CB-O 3.33Å; T46-T48 PolarHBondContact O-N 2.92Å; T46-T48 PolarHBondContact OG1-O 2.8Å; T48-I50 PolarHBondContact O-N 2.8Å
49	D	95.8	Very high	97.3	Very high	101 Å²	101	42 Å²	42	54%	0.54	22%	0.216	S	C	.	.			trans	-60.3	128.9	169.3	-164.8	-38.9	0	0	0	109	D51 G89 T90	D49-D51 PolarHBondContact OD1-N 2.96Å; D49-G89 WeakPolarHBondContact OD1-CA 2.98Å; D49-T90 HydrophobicContact CB-CG2 4.37Å
50	I	95.3	Very high	97.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.208	C	C	.	.			trans	-122.6	23.1	178.7	62.1	150.2	0	0	0	111.5	T23 T46 T48 D52 D53 M54 G89 F92 Q111 D113	T23-I50 HydrophobicContact CG2-CG2 3.83Å; T46-I50 HydrophobicContact CG2-CD1 3.98Å; T46-I50 HydrophobicContact CG2-CG1 4.2Å; T46-I50 HydrophobicContact CG2-CG2 4.43Å; T48-I50 PolarHBondContact O-N 2.8Å; I50-D52 PolarHBondContact O-N 2.92Å; I50-D53 HydrophobicContact CB-CB 4.45Å; I50-D53 HydrophobicContact CD1-CB 4.38Å; I50-D53 VanDerWaalsContact O-CB 3.28Å; I50-D53 WeakPolarHBondContact O-CB 3.27Å; I50-D53 PolarHBondContact O-N 3.19Å; I50-M54 HydrophobicContact CD1-CB 4.25Å; I50-M54 HydrophobicContact CD1-CE 3.88Å; I50-G89 WeakPolarHBondContact CG1-O 3.45Å; I50-G89 PolarHBondContact N-O 3.48Å; I50-F92 HydrophobicContact CD1-CE2 3.67Å; I50-F92 HydrophobicContact CD1-CZ 3.87Å; I50-F92 HydrophobicContact CG1-CE2 3.71Å; I50-F92 HydrophobicContact CG1-CZ 3.87Å; I50-Q111 HydrophobicContact CD1-CB 3.52Å; I50-Q111 HydrophobicContact CG2-CB 4.18Å; I50-D113 HydrophobicContact CB-CB 3.78Å; I50-D113 HydrophobicContact CG2-CB 3.95Å
51	D	96.6	Very high	97.1	Very high	70 Å²	70	45.6 Å²	45.6	37%	0.374	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-122.5	-177.9	-160.3	-39	0	0	0	111.2	D49 Y88 G89 F92	D49-D51 PolarHBondContact OD1-N 2.96Å; D51-Y88 WeakPolarHBondContact O-CD2 3.48Å; D51-Y88 WeakPolarHBondContact OD1-CE2 3.43Å; D51-Y88 PolarHBondContact OD1-OH 3.46Å; D51-Y88 PolarHBondContact OD2-OH 2.94Å; D51-G89 PolarHBondContact O-N 2.8Å; D51-F92 WeakPolarHBondContact O-CZ 3.38Å
52	D	97.1	Very high	97	Very high	67 Å²	67	46.9 Å²	46.9	36%	0.358	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	17.2	172.1	65.7	-1.8	0	0	0	113.2	I50 M54 E71 G72 Y88	I50-D52 PolarHBondContact O-N 2.92Å; D52-M54 PolarHBondContact O-N 2.77Å; D52-E71 CarbonylContact O-C 3.45Å; D52-E71 WeakPolarHBondContact O-CA 3.45Å; D52-G72 WeakPolarHBondContact O-CA 3.35Å; D52-G72 PolarHBondContact O-N 3.34Å; D52-Y88 HydrophobicContact CB-CD2 4.13Å; D52-Y88 HydrophobicContact CB-CE2 4.05Å
53	D	96.6	Very high	96.9	Very high	43 Å²	43	51.7 Å²	51.7	23%	0.23	29%	0.291	C	S	.	.			trans	-72.6	32.8	-177.9	-80.3	-57.3	0	0	0	114.6	I50 N55 Q111 S112 D113	I50-D53 HydrophobicContact CB-CB 4.45Å; I50-D53 HydrophobicContact CD1-CB 4.38Å; I50-D53 VanDerWaalsContact O-CB 3.28Å; I50-D53 WeakPolarHBondContact O-CB 3.27Å; I50-D53 PolarHBondContact O-N 3.19Å; D53-N55 PolarHBondContact O-ND2 2.91Å; D53-Q111 CarbonylContact O-C 3.56Å; D53-Q111 VanDerWaalsContact O-CA 3.23Å; D53-Q111 WeakPolarHBondContact O-CA 3.49Å; D53-S112 WeakPolarHBondContact CB-OG 3.33Å; D53-S112 PolarHBondContact O-N 3.04Å; D53-S112 PolarHBondContact O-OG 3.48Å; D53-S112 PolarHBondContact OD1-OG 2.77Å; D53-S112 VanDerWaalsContact OD1-OG 3.06Å; D53-D113 HydrophobicContact CB-CB 3.82Å; D53-D113 WeakPolarHBondContact OD2-CB 3.44Å
54	M	97.4	Very high	96.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.3	175.1	-174.7	56.2	67.8	0	0	111.9	C44 T46 I50 D52 S70 E71 G72 F92 C109	C44-M54 HydrophobicContact CB-CE 4.1Å; C44-M54 HydrophobicContact CB-SD 4.45Å; C44-M54 WeakPolarHBondContact SG-CE 3.31Å; T46-M54 HydrophobicContact CG2-CE 3.84Å; I50-M54 HydrophobicContact CD1-CB 4.25Å; I50-M54 HydrophobicContact CD1-CE 3.88Å; D52-M54 PolarHBondContact O-N 2.77Å; M54-S70 CarbonylContact O-C 3.54Å; M54-E71 PolarHBondContact O-N 2.75Å; M54-G72 PolarHBondContact O-N 3.46Å; M54-F92 HydrophobicContact CB-CB 4.38Å; M54-F92 HydrophobicContact CB-CD1 3.41Å; M54-F92 VanDerWaalsContact CB-CD1 3.41Å; M54-F92 HydrophobicContact CB-CD2 4Å; M54-F92 HydrophobicContact CB-CE1 3.49Å; M54-F92 VanDerWaalsContact CB-CE1 3.49Å; M54-F92 HydrophobicContact CB-CE2 4.08Å; M54-F92 HydrophobicContact CB-CG 3.66Å; M54-F92 HydrophobicContact CB-CZ 3.82Å; M54-F92 HydrophobicContact CE-CB 4.25Å; M54-F92 HydrophobicContact CE-CD2 3.4Å; M54-F92 VanDerWaalsContact CE-CD2 3.4Å; M54-F92 HydrophobicContact CE-CE2 3.87Å; M54-F92 HydrophobicContact CE-CG 3.92Å; M54-F92 HydrophobicContact CG-CB 3.8Å; M54-F92 HydrophobicContact CG-CD1 3.8Å; M54-F92 HydrophobicContact CG-CD2 4.08Å; M54-F92 HydrophobicContact CG-CE1 4.36Å; M54-F92 HydrophobicContact CG-CG 3.62Å; M54-C109 HydrophobicContact SD-CB 3.66Å
55	N	98	Very high	96.8	Very high	16 Å²	16	55.5 Å²	55.5	9%	0.086	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.3	177.4	-57.8	-86.1	0	0	0	110.2	D53 Y57 L67 I69 S70 C109 L110 S112	D53-N55 PolarHBondContact O-ND2 2.91Å; N55-Y57 HydrophobicContact CB-CD2 4.49Å; N55-Y57 HydrophobicContact CB-CE2 3.66Å; N55-L67 HydrophobicContact CB-CD1 3.97Å; N55-I69 CarbonylContact C-O 3.56Å; N55-I69 VanDerWaalsContact CA-O 3.32Å; N55-I69 WeakPolarHBondContact CA-O 3.44Å; N55-S70 VanDerWaalsContact OD1-CA 3.26Å; N55-S70 WeakPolarHBondContact OD1-CA 3.41Å; N55-S70 VanDerWaalsContact OD1-CB 3.23Å; N55-S70 WeakPolarHBondContact OD1-CB 3.12Å; N55-C109 CarbonylContact O-C 3.57Å; N55-C109 VanDerWaalsContact O-CA 3.3Å; N55-C109 WeakPolarHBondContact O-CA 3.29Å; N55-L110 WeakPolarHBondContact CB-O 3.32Å; N55-L110 PolarHBondContact N-O 2.86Å; N55-L110 PolarHBondContact ND2-O 3.24Å; N55-L110 PolarHBondContact O-N 3.35Å; N55-S112 PolarHBondContact ND2-OG 3.08Å
56	W	98.6	Very high	96.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.8	178.2	-65.4	94	0	0	0	111	I42 C44 L68 I69 S85 F92 F94 Y108 C109	I42-W56 HydrophobicContact CB-CH2 4.34Å; I42-W56 HydrophobicContact CB-CZ3 4.12Å; I42-W56 HydrophobicContact CG2-CH2 4.08Å; I42-W56 HydrophobicContact CG2-CZ3 3.75Å; C44-W56 HydrophobicContact CB-CH2 3.6Å; C44-W56 HydrophobicContact CB-CZ2 3.82Å; C44-W56 HydrophobicContact CB-CZ3 4.48Å; W56-L68 WeakPolarHBondContact O-CB 3.41Å; W56-L68 PolarHBondContact O-N 2.97Å; W56-I69 HydrophobicContact CB-CB 4.17Å; W56-I69 HydrophobicContact CG-CB 4.5Å; W56-I69 PolarHBondContact N-O 3.19Å; W56-I69 PolarHBondContact O-N 3.21Å; W56-S85 PolarHBondContact NE1-OG 2.91Å; W56-F92 HydrophobicContact CZ2-CB 4.21Å; W56-F94 HydrophobicContact CB-CD2 4.2Å; W56-F94 HydrophobicContact CD2-CB 3.51Å; W56-F94 HydrophobicContact CD2-CD2 4.11Å; W56-F94 AromaticContact CD2-CG 3.96Å; W56-F94 HydrophobicContact CD2-CG 3.96Å; W56-F94 VanDerWaalsContact CE2-CB 3.49Å; W56-F94 HydrophobicContact CE3-CB 3.56Å; W56-F94 HydrophobicContact CE3-CD1 4.45Å; W56-F94 HydrophobicContact CE3-CD2 4.47Å; W56-F94 AromaticContact CE3-CG 3.95Å; W56-F94 HydrophobicContact CE3-CG 3.95Å; W56-F94 HydrophobicContact CG-CB 4.21Å; W56-F94 AromaticContact CG-CD2 3.96Å; W56-F94 HydrophobicContact CG-CD2 3.96Å; W56-F94 HydrophobicContact CG-CG 4.3Å; W56-F94 HydrophobicContact CH2-CB 3.54Å; W56-F94 HydrophobicContact CZ2-CB 3.52Å; W56-F94 HydrophobicContact CZ3-CB 3.57Å; W56-F94 HydrophobicContact CZ3-CG 4.32Å; W56-Y108 CarbonylContact C-O 3.49Å; W56-Y108 WeakPolarHBondContact CA-O 3.47Å; W56-C109 HydrophobicContact CD2-CB 4.16Å; W56-C109 HydrophobicContact CE3-CB 3.79Å; W56-C109 HydrophobicContact CH2-CB 3.85Å; W56-C109 HydrophobicContact CZ2-CB 4.17Å; W56-C109 HydrophobicContact CZ3-CB 3.64Å
57	Y	98.5	Very high	96.9	Very high	57 Å²	57	60.2 Å²	60.2	22%	0.224	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.4	-178.6	-62.9	-100.4	0	0	0	110.7	N55 P65 K66 L67 Y107 Y108 L110	N55-Y57 HydrophobicContact CB-CD2 4.49Å; N55-Y57 HydrophobicContact CB-CE2 3.66Å; Y57-P65 HydrophobicContact CD1-CB 4.29Å; Y57-K66 CarbonylContact C-O 3.51Å; Y57-K66 VanDerWaalsContact CA-O 3.25Å; Y57-K66 WeakPolarHBondContact CA-O 3.5Å; Y57-L67 HydrophobicContact CD1-CB 4.12Å; Y57-L67 HydrophobicContact CD1-CD1 4.26Å; Y57-L67 HydrophobicContact CD2-CD1 4.42Å; Y57-L67 HydrophobicContact CE1-CB 3.83Å; Y57-L67 HydrophobicContact CE1-CD1 3.74Å; Y57-L67 HydrophobicContact CE1-CG 4.37Å; Y57-L67 HydrophobicContact CE2-CD1 3.91Å; Y57-Y107 VanDerWaalsContact O-CA 3.27Å; Y57-Y107 WeakPolarHBondContact O-CA 3.25Å; Y57-Y108 PolarHBondContact N-O 3.36Å; Y57-Y108 PolarHBondContact O-N 2.69Å; Y57-L110 HydrophobicContact CD2-CB 4.4Å; Y57-L110 HydrophobicContact CE2-CB 3.92Å; Y57-L110 HydrophobicContact CE2-CD2 4.11Å
58	Q	98	Very high	97	Very high	22 Å²	22	57.1 Å²	57.1	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	135.9	168.5	179.5	-173.3	65.1	0	0	109.1	K66 L68 A105 D106 Y107	Q58-K66 PolarHBondContact N-O 2.94Å; Q58-K66 PolarHBondContact O-N 2.77Å; Q58-L68 HydrophobicContact CB-CD1 3.59Å; Q58-L68 HydrophobicContact CB-CD2 4Å; Q58-L68 HydrophobicContact CB-CG 3.84Å; Q58-A105 HydrophobicContact CG-CB 3.42Å; Q58-A105 VanDerWaalsContact CG-CB 3.42Å; Q58-D106 CarbonylContact C-O 3.52Å; Q58-D106 WeakPolarHBondContact CA-O 3.27Å; Q58-Y107 HydrophobicContact CB-CD1 4.16Å; Q58-Y107 HydrophobicContact CB-CE1 3.95Å; Q58-Y107 HydrophobicContact CG-CD1 4.41Å; Q58-Y107 HydrophobicContact CG-CE1 3.9Å; Q58-Y107 PolarHBondContact NE2-OH 2.87Å
59	Q	97.9	Very high	97.2	Very high	55 Å²	55	54.9 Å²	54.9	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.9	172.6	-171.3	174.4	18.1	0	0	110	E63 P65 A105 D106 Y108	Q59-E63 VanDerWaalsContact CG-O 3.24Å; Q59-E63 WeakPolarHBondContact CG-O 3.41Å; Q59-E63 PolarHBondContact NE2-O 3.26Å; Q59-P65 HydrophobicContact CB-CG 4.38Å; Q59-P65 HydrophobicContact CG-CG 4.29Å; Q59-A105 WeakPolarHBondContact O-CB 3.27Å; Q59-D106 HydrophobicContact CB-CB 4.48Å; Q59-D106 PolarHBondContact N-O 3.22Å; Q59-D106 PolarHBondContact O-N 2.79Å; Q59-Y108 HydrophobicContact CB-CD2 4.5Å; Q59-Y108 HydrophobicContact CB-CE2 3.79Å
60	K	96.3	Very high	97.3	Very high	63 Å²	63	50.1 Å²	50.1	27%	0.274	29%	0.287	S	S	.	.			trans	-81.5	153.2	171.5	-70.1	-176	175.2	-169.4	0	110.3	G62 E63 E102 A105	K60-G62 PolarHBondContact O-N 3.22Å; K60-G62 VanDerWaalsContact O-N 3.16Å; K60-E63 HydrophobicContact CB-CB 4.23Å; K60-E63 HydrophobicContact CB-CG 4.29Å; K60-E63 PolarHBondContact O-N 2.66Å; K60-E102 WeakPolarHBondContact CE-O 3.25Å; K60-E102 PolarHBondContact NZ-O 2.65Å; K60-A105 HydrophobicContact CG-CB 4.06Å
61	P	95.5	Very high	97.4	Very high	115 Å²	115	54.7 Å²	54.7	75%	0.747	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	122.7	177.9	-27.4	35.4	0	0	0	112.2	E63	P61-E63 VanDerWaalsContact C-N 3.29Å; P61-E63 PolarHBondContact O-N 3.28Å
62	G	96.2	Very high	97.3	Very high	91 Å²	91	51.5 Å²	51.5	94%	0.938	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	0.5	-180	0	0	0	0	0	115.4	K60	K60-G62 PolarHBondContact O-N 3.22Å; K60-G62 VanDerWaalsContact O-N 3.16Å
63	E	96.6	Very high	97.3	Very high	111 Å²	111	53.5 Å²	53.5	52%	0.519	30%	0.302	S	S	.	.	S	Bend	trans	-106.9	156	177.1	-66.5	-176.5	-167	0	0	111.2	Q59 K60 P61	Q59-E63 VanDerWaalsContact CG-O 3.24Å; Q59-E63 WeakPolarHBondContact CG-O 3.41Å; Q59-E63 PolarHBondContact NE2-O 3.26Å; K60-E63 HydrophobicContact CB-CB 4.23Å; K60-E63 HydrophobicContact CB-CG 4.29Å; K60-E63 PolarHBondContact O-N 2.66Å; P61-E63 VanDerWaalsContact C-N 3.29Å; P61-E63 PolarHBondContact O-N 3.28Å
64	P	96.5	Very high	97.4	Very high	103 Å²	103	54.2 Å²	54.2	67%	0.669	31%	0.308	S	S	*	.			trans	-71.3	157.4	170.2	30.7	-35.1	0	0	0	111.5	K66	P64-K66 PolarHBondContact O-N 3.4Å
65	P	97.4	Very high	97.4	Very high	71 Å²	71	57.5 Å²	57.5	46%	0.461	33%	0.325	S	S	.	.			trans	-58.7	132.4	172.1	-23.2	33.7	0	0	0	112.1	Y57 Q59	Y57-P65 HydrophobicContact CD1-CB 4.29Å; Q59-P65 HydrophobicContact CB-CG 4.38Å; Q59-P65 HydrophobicContact CG-CG 4.29Å
66	K	98	Very high	97.5	Very high	113 Å²	113	61 Å²	61	49%	0.491	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.6	175.9	-178	-177.5	176.8	-174.4	0	109.9	Y57 Q58 P64 L68	Y57-K66 CarbonylContact C-O 3.51Å; Y57-K66 VanDerWaalsContact CA-O 3.25Å; Y57-K66 WeakPolarHBondContact CA-O 3.5Å; Q58-K66 PolarHBondContact N-O 2.94Å; Q58-K66 PolarHBondContact O-N 2.77Å; P64-K66 PolarHBondContact O-N 3.4Å; K66-L68 PolarHBondContact O-N 2.54Å
67	L	98.3	Very high	97.4	Very high	50 Å²	50	66.8 Å²	66.8	26%	0.262	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.2	173.7	-176.5	67.4	0	0	0	110.4	N55 Y57 I69 R76	N55-L67 HydrophobicContact CB-CD1 3.97Å; Y57-L67 HydrophobicContact CD1-CB 4.12Å; Y57-L67 HydrophobicContact CD1-CD1 4.26Å; Y57-L67 HydrophobicContact CD2-CD1 4.42Å; Y57-L67 HydrophobicContact CE1-CB 3.83Å; Y57-L67 HydrophobicContact CE1-CD1 3.74Å; Y57-L67 HydrophobicContact CE1-CG 4.37Å; Y57-L67 HydrophobicContact CE2-CD1 3.91Å; L67-I69 VanDerWaalsContact CD1-O 3.29Å; L67-I69 WeakPolarHBondContact CD1-O 3.27Å; L67-R76 HydrophobicContact CD2-CG 3.88Å; L67-R76 HydrophobicContact CG-CG 3.91Å
68	L	98.6	Very high	97.4	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.016	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-52.1	177.2	-62.3	-177.6	0	0	0	112	W56 Q58 K66 R76 V79 F83 F94 Y107	W56-L68 WeakPolarHBondContact O-CB 3.41Å; W56-L68 PolarHBondContact O-N 2.97Å; Q58-L68 HydrophobicContact CB-CD1 3.59Å; Q58-L68 HydrophobicContact CB-CD2 4Å; Q58-L68 HydrophobicContact CB-CG 3.84Å; K66-L68 PolarHBondContact O-N 2.54Å; L68-R76 PolarHBondContact O-N 2.82Å; L68-V79 HydrophobicContact CB-CG1 4.28Å; L68-V79 HydrophobicContact CB-CG2 4.35Å; L68-V79 HydrophobicContact CD2-CG1 4.15Å; L68-V79 HydrophobicContact CD2-CG2 3.91Å; L68-V79 WeakPolarHBondContact O-CG2 3.26Å; L68-F83 HydrophobicContact CD1-CD1 3.74Å; L68-F83 HydrophobicContact CD1-CE1 3.7Å; L68-F83 HydrophobicContact CD2-CD1 4.41Å; L68-F83 HydrophobicContact CD2-CE1 4.26Å; L68-F94 HydrophobicContact CD1-CE2 4.28Å; L68-F94 HydrophobicContact CD1-CZ 3.91Å; L68-Y107 HydrophobicContact CD1-CD1 4.09Å; L68-Y107 HydrophobicContact CD1-CE1 3.83Å
69	I	98.7	Very high	97.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.5	-177.5	-62.1	176.6	0	0	0	107.9	N55 W56 L67 T74 L75 S84 F94	N55-I69 CarbonylContact C-O 3.56Å; N55-I69 VanDerWaalsContact CA-O 3.32Å; N55-I69 WeakPolarHBondContact CA-O 3.44Å; W56-I69 HydrophobicContact CB-CB 4.17Å; W56-I69 HydrophobicContact CG-CB 4.5Å; W56-I69 PolarHBondContact N-O 3.19Å; W56-I69 PolarHBondContact O-N 3.21Å; L67-I69 VanDerWaalsContact CD1-O 3.29Å; L67-I69 WeakPolarHBondContact CD1-O 3.27Å; I69-T74 VanDerWaalsContact CA-O 3.31Å; I69-T74 WeakPolarHBondContact CA-O 3.5Å; I69-L75 HydrophobicContact CD1-CD2 3.86Å; I69-L75 HydrophobicContact CD1-CG 4.48Å; I69-L75 HydrophobicContact CG1-CD2 3.6Å; I69-L75 HydrophobicContact CG1-CG 4.23Å; I69-S84 VanDerWaalsContact CD1-C 3.42Å; I69-F94 HydrophobicContact CD1-CD2 3.89Å; I69-F94 HydrophobicContact CD1-CE2 3.83Å
70	S	97.8	Very high	97.4	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.007	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	167.2	177.6	55	0	0	0	0	109.9	M54 N55 G72 N73 T74 R76	M54-S70 CarbonylContact O-C 3.54Å; N55-S70 VanDerWaalsContact OD1-CA 3.26Å; N55-S70 WeakPolarHBondContact OD1-CA 3.41Å; N55-S70 VanDerWaalsContact OD1-CB 3.23Å; N55-S70 WeakPolarHBondContact OD1-CB 3.12Å; S70-G72 PolarHBondContact O-N 2.75Å; S70-N73 PolarHBondContact O-N 3Å; S70-T74 PolarHBondContact N-O 2.79Å; S70-T74 WeakPolarHBondContact O-CA 3.37Å; S70-T74 VanDerWaalsContact O-CB 3.27Å; S70-T74 WeakPolarHBondContact O-CB 3.37Å; S70-T74 PolarHBondContact O-N 2.82Å; S70-T74 PolarHBondContact OG-O 2.02Å; S70-R76 VanDerWaalsContact CB-NH2 3.28Å; S70-R76 PolarHBondContact OG-NE 2.92Å; S70-R76 PolarHBondContact OG-NH2 2.9Å
71	E	95.7	Very high	97.5	Very high	98 Å²	98	69.3 Å²	69.3	46%	0.458	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	43.3	174.9	-60.6	161.9	-136.1	0	0	109.7	D52 M54 N73 R76	D52-E71 CarbonylContact O-C 3.45Å; D52-E71 WeakPolarHBondContact O-CA 3.45Å; M54-E71 PolarHBondContact O-N 2.75Å; E71-N73 PolarHBondContact O-N 2.87Å; E71-R76 IonicContact OE1-NH2 3.22Å; E71-R76 PolarHBondContact OE1-NH2 2.92Å
72	G	95	Very high	97.6	Very high	2 Å²	2	66 Å²	66	2%	0.021	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-41.4	173.7	0	0	0	0	0	114.3	D52 M54 S70 S85	D52-G72 WeakPolarHBondContact O-CA 3.35Å; D52-G72 PolarHBondContact O-N 3.34Å; M54-G72 PolarHBondContact O-N 3.46Å; S70-G72 PolarHBondContact O-N 2.75Å; G72-S85 VanDerWaalsContact O-CB 3.25Å; G72-S85 WeakPolarHBondContact O-CB 3.27Å; G72-S85 PolarHBondContact O-OG 2.85Å
73	N	97.9	Very high	97.8	Very high	109 Å²	109	61.8 Å²	61.8	58%	0.583	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.8	1.7	-172.8	66	26	0	0	0	115.7	S70 E71 L75 S85	S70-N73 PolarHBondContact O-N 3Å; E71-N73 PolarHBondContact O-N 2.87Å; N73-L75 PolarHBondContact O-N 3.44Å; N73-S85 WeakPolarHBondContact CB-O 3.46Å
74	T	98.5	Very high	97.9	Very high	58 Å²	58	58.9 Å²	58.9	36%	0.356	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	107.7	-178.9	-64.3	0	0	0	0	111.3	I69 S70	I69-T74 VanDerWaalsContact CA-O 3.31Å; I69-T74 WeakPolarHBondContact CA-O 3.5Å; S70-T74 PolarHBondContact N-O 2.79Å; S70-T74 WeakPolarHBondContact O-CA 3.37Å; S70-T74 VanDerWaalsContact O-CB 3.27Å; S70-T74 WeakPolarHBondContact O-CB 3.37Å; S70-T74 PolarHBondContact O-N 2.82Å; S70-T74 PolarHBondContact OG-O 2.02Å
75	L	98.4	Very high	98	Very high	69 Å²	69	54.7 Å²	54.7	36%	0.361	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.9	173.7	-77.6	163.3	0	0	0	111.6	I69 N73 V79 F83	I69-L75 HydrophobicContact CD1-CD2 3.86Å; I69-L75 HydrophobicContact CD1-CG 4.48Å; I69-L75 HydrophobicContact CG1-CD2 3.6Å; I69-L75 HydrophobicContact CG1-CG 4.23Å; N73-L75 PolarHBondContact O-N 3.44Å; L75-V79 HydrophobicContact CD2-CB 4.06Å; L75-V79 HydrophobicContact CD2-CG1 3.5Å; L75-F83 HydrophobicContact CD2-CB 4.1Å
76	R	98.5	Very high	98	Very high	90 Å²	90	54.6 Å²	54.6	34%	0.34	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-78.1	155.6	176	-65.9	-68.2	164.2	175.5	-5.3	111.8	L67 L68 S70 E71 G78 V79	L67-R76 HydrophobicContact CD2-CG 3.88Å; L67-R76 HydrophobicContact CG-CG 3.91Å; L68-R76 PolarHBondContact O-N 2.82Å; S70-R76 VanDerWaalsContact CB-NH2 3.28Å; S70-R76 PolarHBondContact OG-NE 2.92Å; S70-R76 PolarHBondContact OG-NH2 2.9Å; E71-R76 IonicContact OE1-NH2 3.22Å; E71-R76 PolarHBondContact OE1-NH2 2.92Å; R76-G78 PolarHBondContact O-N 2.94Å; R76-V79 HydrophobicContact CB-CG2 4.17Å; R76-V79 VanDerWaalsContact O-CB 3.3Å; R76-V79 WeakPolarHBondContact O-CB 3.16Å; R76-V79 VanDerWaalsContact O-CG2 3.23Å; R76-V79 WeakPolarHBondContact O-CG2 3.23Å; R76-V79 PolarHBondContact O-N 2.87Å; R76-V79 VanDerWaalsContact O-N 3.14Å
77	P	97.9	Very high	98	Very high	121 Å²	121	51.3 Å²	51.3	79%	0.786	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.1	-178.2	-27.5	35.7	0	0	0	113.5	V79	P77-V79 VanDerWaalsContact C-N 3.25Å; P77-V79 PolarHBondContact O-N 2.84Å
78	G	97.5	Very high	98	Very high	76 Å²	76	55.3 Å²	55.3	78%	0.784	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	2.7	-179.7	0	0	0	0	0	114.9	R76	R76-G78 PolarHBondContact O-N 2.94Å
79	V	98.3	Very high	98	Very high	17 Å²	17	55.2 Å²	55.2	10%	0.103	33%	0.333	C	S	.	.			trans	-79.3	132.1	170.4	-178.4	0	0	0	0	108.9	L68 L75 R76 P77 F83	L68-V79 HydrophobicContact CB-CG1 4.28Å; L68-V79 HydrophobicContact CB-CG2 4.35Å; L68-V79 HydrophobicContact CD2-CG1 4.15Å; L68-V79 HydrophobicContact CD2-CG2 3.91Å; L68-V79 WeakPolarHBondContact O-CG2 3.26Å; L75-V79 HydrophobicContact CD2-CB 4.06Å; L75-V79 HydrophobicContact CD2-CG1 3.5Å; R76-V79 HydrophobicContact CB-CG2 4.17Å; R76-V79 VanDerWaalsContact O-CB 3.3Å; R76-V79 WeakPolarHBondContact O-CB 3.16Å; R76-V79 VanDerWaalsContact O-CG2 3.23Å; R76-V79 WeakPolarHBondContact O-CG2 3.23Å; R76-V79 PolarHBondContact O-N 2.87Å; R76-V79 VanDerWaalsContact O-N 3.14Å; P77-V79 VanDerWaalsContact C-N 3.25Å; P77-V79 PolarHBondContact O-N 2.84Å; V79-F83 HydrophobicContact CG1-CB 4.03Å; V79-F83 HydrophobicContact CG1-CD1 3.57Å; V79-F83 HydrophobicContact CG1-CE1 4.41Å; V79-F83 HydrophobicContact CG1-CG 4.13Å
80	P	98.3	Very high	97.9	Very high	37 Å²	37	58.3 Å²	58.3	24%	0.24	35%	0.352	C	S	.	.			trans	-58.7	140.5	180	-27.6	36.8	0	0	0	113.3	R82 F83	P80-R82 HydrophobicContact CB-CG 3.94Å; P80-R82 VanDerWaalsContact CB-NH1 3.3Å; P80-R82 PolarHBondContact O-N 3.06Å; P80-F83 HydrophobicContact CB-CD2 4.47Å; P80-F83 WeakPolarHBondContact O-CB 3.24Å; P80-F83 PolarHBondContact O-N 3.19Å
81	S	98.1	Very high	98	Very high	120 Å²	120	60.9 Å²	60.9	84%	0.839	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-11	177.3	63.1	0	0	0	0	114.3
82	R	98.2	Very high	98.1	Very high	46 Å²	46	56.2 Å²	56.2	17%	0.174	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.1	172.7	78.9	-175	171.2	-95.8	-1.8	112.2	P80 I96 E97 E102 D103	P80-R82 HydrophobicContact CB-CG 3.94Å; P80-R82 VanDerWaalsContact CB-NH1 3.3Å; P80-R82 PolarHBondContact O-N 3.06Å; R82-I96 HydrophobicContact CG-CG2 4.25Å; R82-E97 HydrophobicContact CB-CB 4.4Å; R82-E97 VanDerWaalsContact CB-O 3.26Å; R82-E97 WeakPolarHBondContact CB-O 2.9Å; R82-E97 VanDerWaalsContact CD-O 3.31Å; R82-E97 WeakPolarHBondContact CD-O 3.3Å; R82-E97 WeakPolarHBondContact CG-O 3.44Å; R82-E97 PolarHBondContact O-N 3.05Å; R82-E102 IonicContact CZ-OE1 3.65Å; R82-E102 IonicContact NH1-OE1 3.66Å; R82-E102 IonicContact NH2-OE1 2.75Å; R82-E102 PolarHBondContact NH2-OE1 3.37Å; R82-D103 IonicContact CZ-OD1 3.63Å; R82-D103 IonicContact CZ-OD2 3.53Å; R82-D103 IonicContact NE-OD1 3.77Å; R82-D103 IonicContact NE-OD2 3.02Å; R82-D103 PolarHBondContact NE-OD2 2.88Å; R82-D103 IonicContact NH2-OD1 2.7Å; R82-D103 PolarHBondContact NH2-OD1 3.38Å; R82-D103 IonicContact NH2-OD2 3.23Å; R82-D103 PolarHBondContact NH2-OD2 3.45Å
83	F	98.7	Very high	98.3	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.009	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.4	172.8	-66.9	-169.6	0	0	0	108.8	L68 L75 V79 P80 F94 T95 I96 D103	L68-F83 HydrophobicContact CD1-CD1 3.74Å; L68-F83 HydrophobicContact CD1-CE1 3.7Å; L68-F83 HydrophobicContact CD2-CD1 4.41Å; L68-F83 HydrophobicContact CD2-CE1 4.26Å; L75-F83 HydrophobicContact CD2-CB 4.1Å; V79-F83 HydrophobicContact CG1-CB 4.03Å; V79-F83 HydrophobicContact CG1-CD1 3.57Å; V79-F83 HydrophobicContact CG1-CE1 4.41Å; V79-F83 HydrophobicContact CG1-CG 4.13Å; P80-F83 HydrophobicContact CB-CD2 4.47Å; P80-F83 WeakPolarHBondContact O-CB 3.24Å; P80-F83 PolarHBondContact O-N 3.19Å; F83-F94 HydrophobicContact CB-CE2 4.17Å; F83-F94 HydrophobicContact CB-CZ 4.3Å; F83-F94 HydrophobicContact CD1-CE2 4.35Å; F83-F94 AromaticContact CD1-CZ 3.91Å; F83-F94 HydrophobicContact CD1-CZ 3.91Å; F83-F94 HydrophobicContact CE1-CZ 4.42Å; F83-F94 HydrophobicContact CG-CE2 4.44Å; F83-F94 HydrophobicContact CG-CZ 4.09Å; F83-T95 CarbonylContact C-O 3.55Å; F83-T95 WeakPolarHBondContact CA-O 3.09Å; F83-I96 HydrophobicContact CD2-CB 4.03Å; F83-I96 HydrophobicContact CD2-CD1 4.26Å; F83-I96 HydrophobicContact CD2-CG1 3.67Å; F83-I96 HydrophobicContact CD2-CG2 3.62Å; F83-I96 HydrophobicContact CE2-CB 4.08Å; F83-I96 HydrophobicContact CE2-CD1 3.78Å; F83-I96 HydrophobicContact CE2-CG1 3.69Å; F83-I96 HydrophobicContact CE2-CG2 3.4Å; F83-I96 VanDerWaalsContact CE2-CG2 3.4Å; F83-I96 HydrophobicContact CG-CG1 4.28Å; F83-I96 HydrophobicContact CZ-CD1 3.95Å; F83-I96 HydrophobicContact CZ-CG1 4.27Å; F83-D103 WeakPolarHBondContact CE2-OD1 3.3Å; F83-D103 HydrophobicContact CZ-CB 4.49Å; F83-D103 VanDerWaalsContact CZ-OD1 3.26Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.48Å
84	S	98.6	Very high	98.3	Very high	51 Å²	51	52.5 Å²	52.5	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.7	176.9	56.1	0	0	0	0	110.8	I69 F94 T95	I69-S84 VanDerWaalsContact CD1-C 3.42Å; S84-F94 WeakPolarHBondContact O-CA 3.5Å; S84-F94 WeakPolarHBondContact O-CD2 3.47Å; S84-T95 PolarHBondContact N-O 2.83Å; S84-T95 PolarHBondContact O-N 3.49Å
85	S	98.6	Very high	98.3	Very high	15 Å²	15	50.2 Å²	50.2	11%	0.105	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.1	166.8	-169.7	0	0	0	0	110.7	W56 G72 N73 V93	W56-S85 PolarHBondContact NE1-OG 2.91Å; G72-S85 VanDerWaalsContact O-CB 3.25Å; G72-S85 WeakPolarHBondContact O-CB 3.27Å; G72-S85 PolarHBondContact O-OG 2.85Å; N73-S85 WeakPolarHBondContact CB-O 3.46Å; S85-V93 CarbonylContact C-O 3.6Å; S85-V93 WeakPolarHBondContact CA-O 3.34Å; S85-V93 WeakPolarHBondContact CB-O 3.47Å; S85-V93 PolarHBondContact OG-O 3.13Å
86	S	98.4	Very high	98.3	Very high	69 Å²	69	47 Å²	47	48%	0.483	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.4	177.6	60.9	0	0	0	0	109.1	F92 V93	S86-F92 CarbonylContact O-C 3.57Å; S86-F92 WeakPolarHBondContact O-CA 3.18Å; S86-V93 PolarHBondContact N-O 2.92Å; S86-V93 PolarHBondContact O-N 3.35Å
87	G	98.2	Very high	98.3	Very high	43 Å²	43	46.5 Å²	46.5	44%	0.443	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.9	171.8	-179.5	0	0	0	0	0	111.7	D91	G87-D91 CarbonylContact C-O 2.96Å; G87-D91 WeakPolarHBondContact CA-O 2.94Å
88	Y	98.1	Very high	98.3	Very high	134 Å²	134	45.2 Å²	45.2	53%	0.525	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	152.8	-177.9	-169.4	-96.1	0	0	0	109.3	D51 D52 T90 D91	D51-Y88 WeakPolarHBondContact O-CD2 3.48Å; D51-Y88 WeakPolarHBondContact OD1-CE2 3.43Å; D51-Y88 PolarHBondContact OD1-OH 3.46Å; D51-Y88 PolarHBondContact OD2-OH 2.94Å; D52-Y88 HydrophobicContact CB-CD2 4.13Å; D52-Y88 HydrophobicContact CB-CE2 4.05Å; Y88-T90 PolarHBondContact O-N 2.71Å; Y88-D91 PolarHBondContact N-O 3.41Å
89	G	97.7	Very high	98.3	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-86.1	175.5	0	0	0	0	0	113.6	T46 D49 I50 D51 F92	T46-G89 PolarHBondContact OG1-O 2.84Å; D49-G89 WeakPolarHBondContact OD1-CA 2.98Å; I50-G89 WeakPolarHBondContact CG1-O 3.45Å; I50-G89 PolarHBondContact N-O 3.48Å; D51-G89 PolarHBondContact O-N 2.8Å; G89-F92 WeakPolarHBondContact O-CE2 3.45Å
90	T	97.7	Very high	98.3	Very high	65 Å²	65	44.1 Å²	44.1	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-8.9	-174.2	55	0	0	0	0	115.3	I45 T46 D49 Y88	I45-T90 CarbonylContact C-O 3.59Å; I45-T90 VanDerWaalsContact CA-O 3.24Å; I45-T90 WeakPolarHBondContact CA-O 3.43Å; I45-T90 WeakPolarHBondContact CG2-O 3.35Å; T46-T90 PolarHBondContact N-O 2.77Å; T46-T90 WeakPolarHBondContact OG1-CA 3.24Å; D49-T90 HydrophobicContact CB-CG2 4.37Å; Y88-T90 PolarHBondContact O-N 2.71Å
91	D	98.5	Very high	98.2	Very high	55 Å²	55	46.7 Å²	46.7	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	115.7	-168.8	-177.9	11.7	0	0	0	110.6	R43 G87 Y88	R43-D91 IonicContact CZ-OD1 3.26Å; R43-D91 VanDerWaalsContact CZ-OD1 3.26Å; R43-D91 IonicContact CZ-OD2 3.35Å; R43-D91 VanDerWaalsContact NE-CG 3.35Å; R43-D91 IonicContact NE-OD1 2.69Å; R43-D91 PolarHBondContact NE-OD1 3.35Å; R43-D91 IonicContact NE-OD2 3.28Å; R43-D91 PolarHBondContact NE-OD2 2.9Å; R43-D91 IonicContact NH2-OD1 3.24Å; R43-D91 PolarHBondContact NH2-OD1 2.97Å; R43-D91 IonicContact NH2-OD2 2.65Å; R43-D91 PolarHBondContact NH2-OD2 3.15Å; G87-D91 CarbonylContact C-O 2.96Å; G87-D91 WeakPolarHBondContact CA-O 2.94Å; Y88-D91 PolarHBondContact N-O 3.41Å
92	F	98.7	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	-178	-58.3	-95.2	0	0	0	110.4	R43 C44 I50 D51 M54 W56 S86 G89	R43-F92 CarbonylContact C-O 3.58Å; R43-F92 WeakPolarHBondContact CA-O 3.4Å; C44-F92 HydrophobicContact CB-CB 4.45Å; C44-F92 PolarHBondContact N-O 3.38Å; C44-F92 PolarHBondContact O-N 2.85Å; I50-F92 HydrophobicContact CD1-CE2 3.67Å; I50-F92 HydrophobicContact CD1-CZ 3.87Å; I50-F92 HydrophobicContact CG1-CE2 3.71Å; I50-F92 HydrophobicContact CG1-CZ 3.87Å; D51-F92 WeakPolarHBondContact O-CZ 3.38Å; M54-F92 HydrophobicContact CB-CB 4.38Å; M54-F92 HydrophobicContact CB-CD1 3.41Å; M54-F92 VanDerWaalsContact CB-CD1 3.41Å; M54-F92 HydrophobicContact CB-CD2 4Å; M54-F92 HydrophobicContact CB-CE1 3.49Å; M54-F92 VanDerWaalsContact CB-CE1 3.49Å; M54-F92 HydrophobicContact CB-CE2 4.08Å; M54-F92 HydrophobicContact CB-CG 3.66Å; M54-F92 HydrophobicContact CB-CZ 3.82Å; M54-F92 HydrophobicContact CE-CB 4.25Å; M54-F92 HydrophobicContact CE-CD2 3.4Å; M54-F92 VanDerWaalsContact CE-CD2 3.4Å; M54-F92 HydrophobicContact CE-CE2 3.87Å; M54-F92 HydrophobicContact CE-CG 3.92Å; M54-F92 HydrophobicContact CG-CB 3.8Å; M54-F92 HydrophobicContact CG-CD1 3.8Å; M54-F92 HydrophobicContact CG-CD2 4.08Å; M54-F92 HydrophobicContact CG-CE1 4.36Å; M54-F92 HydrophobicContact CG-CG 3.62Å; W56-F92 HydrophobicContact CZ2-CB 4.21Å; S86-F92 CarbonylContact O-C 3.57Å; S86-F92 WeakPolarHBondContact O-CA 3.18Å; G89-F92 WeakPolarHBondContact O-CE2 3.45Å
93	V	98.7	Very high	98	Very high	32 Å²	32	43.9 Å²	43.9	19%	0.194	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.8	-179.8	179.5	0	0	0	0	108.2	T41 I42 R43 S85 S86	T41-V93 HydrophobicContact CG2-CG1 3.51Å; I42-V93 CarbonylContact O-C 3.54Å; I42-V93 WeakPolarHBondContact O-CA 3.28Å; R43-V93 HydrophobicContact CB-CG2 4.46Å; R43-V93 HydrophobicContact CG-CG2 4.09Å; S85-V93 CarbonylContact C-O 3.6Å; S85-V93 WeakPolarHBondContact CA-O 3.34Å; S85-V93 WeakPolarHBondContact CB-O 3.47Å; S85-V93 PolarHBondContact OG-O 3.13Å; S86-V93 PolarHBondContact N-O 2.92Å; S86-V93 PolarHBondContact O-N 3.35Å
94	F	98.8	Very high	97.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137	168.8	175.5	-105.2	0	0	0	109.7	T41 I42 W56 L68 I69 F83 S84 I96 Y107	T41-F94 WeakPolarHBondContact CA-O 3.23Å; I42-F94 HydrophobicContact CB-CB 4.43Å; I42-F94 HydrophobicContact CB-CD1 4.49Å; I42-F94 HydrophobicContact CD1-CD1 4.13Å; I42-F94 HydrophobicContact CG1-CD1 4.44Å; I42-F94 PolarHBondContact N-O 3.11Å; I42-F94 PolarHBondContact O-N 3.38Å; W56-F94 HydrophobicContact CB-CD2 4.2Å; W56-F94 HydrophobicContact CD2-CB 3.51Å; W56-F94 HydrophobicContact CD2-CD2 4.11Å; W56-F94 AromaticContact CD2-CG 3.96Å; W56-F94 HydrophobicContact CD2-CG 3.96Å; W56-F94 VanDerWaalsContact CE2-CB 3.49Å; W56-F94 HydrophobicContact CE3-CB 3.56Å; W56-F94 HydrophobicContact CE3-CD1 4.45Å; W56-F94 HydrophobicContact CE3-CD2 4.47Å; W56-F94 AromaticContact CE3-CG 3.95Å; W56-F94 HydrophobicContact CE3-CG 3.95Å; W56-F94 HydrophobicContact CG-CB 4.21Å; W56-F94 AromaticContact CG-CD2 3.96Å; W56-F94 HydrophobicContact CG-CD2 3.96Å; W56-F94 HydrophobicContact CG-CG 4.3Å; W56-F94 HydrophobicContact CH2-CB 3.54Å; W56-F94 HydrophobicContact CZ2-CB 3.52Å; W56-F94 HydrophobicContact CZ3-CB 3.57Å; W56-F94 HydrophobicContact CZ3-CG 4.32Å; L68-F94 HydrophobicContact CD1-CE2 4.28Å; L68-F94 HydrophobicContact CD1-CZ 3.91Å; I69-F94 HydrophobicContact CD1-CD2 3.89Å; I69-F94 HydrophobicContact CD1-CE2 3.83Å; F83-F94 HydrophobicContact CB-CE2 4.17Å; F83-F94 HydrophobicContact CB-CZ 4.3Å; F83-F94 HydrophobicContact CD1-CE2 4.35Å; F83-F94 AromaticContact CD1-CZ 3.91Å; F83-F94 HydrophobicContact CD1-CZ 3.91Å; F83-F94 HydrophobicContact CE1-CZ 4.42Å; F83-F94 HydrophobicContact CG-CE2 4.44Å; F83-F94 HydrophobicContact CG-CZ 4.09Å; S84-F94 WeakPolarHBondContact O-CA 3.5Å; S84-F94 WeakPolarHBondContact O-CD2 3.47Å; F94-I96 HydrophobicContact CD1-CG1 4.45Å; F94-I96 HydrophobicContact CE1-CD1 3.8Å; F94-I96 HydrophobicContact CE1-CG1 3.53Å; F94-I96 HydrophobicContact CZ-CD1 4.2Å; F94-I96 HydrophobicContact CZ-CG1 3.77Å; F94-Y107 HydrophobicContact CD1-CD1 4.46Å; F94-Y107 AromaticContact CE1-CD1 3.66Å; F94-Y107 HydrophobicContact CE1-CD1 3.66Å; F94-Y107 AromaticContact CE1-CE1 3.77Å; F94-Y107 HydrophobicContact CE1-CE1 3.77Å; F94-Y107 HydrophobicContact CE1-CG 4.45Å; F94-Y107 HydrophobicContact CZ-CD1 4.11Å; F94-Y107 AromaticContact CZ-CE1 3.99Å; F94-Y107 HydrophobicContact CZ-CE1 3.99Å
95	T	98.6	Very high	97.9	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.4	-178.5	-63.2	0	0	0	0	110.5	K39 V40 F83 S84 E97	K39-T95 HydrophobicContact CD-CG2 4.14Å; K39-T95 VanDerWaalsContact CE-CG2 3.45Å; K39-T95 HydrophobicContact CG-CG2 3.81Å; V40-T95 VanDerWaalsContact O-CA 3.29Å; V40-T95 WeakPolarHBondContact O-CA 3.15Å; V40-T95 WeakPolarHBondContact O-CG2 3.33Å; F83-T95 CarbonylContact C-O 3.55Å; F83-T95 WeakPolarHBondContact CA-O 3.09Å; S84-T95 PolarHBondContact N-O 2.83Å; S84-T95 PolarHBondContact O-N 3.49Å; T95-E97 HydrophobicContact CG2-CG 4.14Å; T95-E97 VanDerWaalsContact CG2-OE1 3.31Å; T95-E97 WeakPolarHBondContact CG2-OE1 3.36Å
96	I	98.5	Very high	97.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.9	164.1	-54.1	174.9	0	0	0	107	K39 V40 R82 F83 F94 M99 D103 Y107	K39-I96 CarbonylContact C-O 3.53Å; K39-I96 VanDerWaalsContact CA-O 3.31Å; K39-I96 WeakPolarHBondContact CA-O 3.43Å; V40-I96 HydrophobicContact CB-CB 3.98Å; V40-I96 HydrophobicContact CB-CD1 4.41Å; V40-I96 HydrophobicContact CB-CG1 4.33Å; V40-I96 HydrophobicContact CG2-CB 4.36Å; V40-I96 PolarHBondContact N-O 3.17Å; V40-I96 PolarHBondContact O-N 2.84Å; V40-I96 VanDerWaalsContact O-N 3.08Å; R82-I96 HydrophobicContact CG-CG2 4.25Å; F83-I96 HydrophobicContact CD2-CB 4.03Å; F83-I96 HydrophobicContact CD2-CD1 4.26Å; F83-I96 HydrophobicContact CD2-CG1 3.67Å; F83-I96 HydrophobicContact CD2-CG2 3.62Å; F83-I96 HydrophobicContact CE2-CB 4.08Å; F83-I96 HydrophobicContact CE2-CD1 3.78Å; F83-I96 HydrophobicContact CE2-CG1 3.69Å; F83-I96 HydrophobicContact CE2-CG2 3.4Å; F83-I96 VanDerWaalsContact CE2-CG2 3.4Å; F83-I96 HydrophobicContact CG-CG1 4.28Å; F83-I96 HydrophobicContact CZ-CD1 3.95Å; F83-I96 HydrophobicContact CZ-CG1 4.27Å; F94-I96 HydrophobicContact CD1-CG1 4.45Å; F94-I96 HydrophobicContact CE1-CD1 3.8Å; F94-I96 HydrophobicContact CE1-CG1 3.53Å; F94-I96 HydrophobicContact CZ-CD1 4.2Å; F94-I96 HydrophobicContact CZ-CG1 3.77Å; I96-M99 HydrophobicContact CG2-CB 4.42Å; I96-D103 HydrophobicContact CD1-CB 4.37Å; I96-Y107 HydrophobicContact CD1-CE1 3.92Å; I96-Y107 HydrophobicContact CD1-CE2 4.33Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.34Å
97	E	98.5	Very high	97.8	Very high	80 Å²	80	48.9 Å²	48.9	37%	0.374	27%	0.273	S	S	.	.	S	Bend	trans	-77.9	140.9	170	-62.8	-62.8	162.9	0	0	109.7	K39 R82 T95	K39-E97 WeakPolarHBondContact CD-OE1 3.3Å; K39-E97 WeakPolarHBondContact CE-OE1 3.48Å; K39-E97 IonicContact NZ-OE1 2.71Å; K39-E97 PolarHBondContact NZ-OE1 2.81Å; R82-E97 HydrophobicContact CB-CB 4.4Å; R82-E97 VanDerWaalsContact CB-O 3.26Å; R82-E97 WeakPolarHBondContact CB-O 2.9Å; R82-E97 VanDerWaalsContact CD-O 3.31Å; R82-E97 WeakPolarHBondContact CD-O 3.3Å; R82-E97 WeakPolarHBondContact CG-O 3.44Å; R82-E97 PolarHBondContact O-N 3.05Å; T95-E97 HydrophobicContact CG2-CG 4.14Å; T95-E97 VanDerWaalsContact CG2-OE1 3.31Å; T95-E97 WeakPolarHBondContact CG2-OE1 3.36Å
98	N	97.9	Very high	97.8	Very high	94 Å²	94	51.4 Å²	51.4	50%	0.503	27%	0.27	S	S	.	.	S	Bend	trans	51.3	61.1	175.8	-173.6	55.3	0	0	0	113.1	G37 L100	G37-N98 VanDerWaalsContact CA-OD1 3.32Å; G37-N98 WeakPolarHBondContact CA-OD1 3.17Å; N98-L100 PolarHBondContact O-N 3.27Å
99	M	97.1	Very high	97.7	Very high	18 Å²	18	45.8 Å²	45.8	9%	0.089	25%	0.25	C	C	.	.			trans	-53.2	133.9	-176.4	-173	-179	76.8	0	0	112.1	M34 I36 G37 E38 V40 I96 D103	M34-M99 HydrophobicContact CB-CE 3.65Å; M34-M99 HydrophobicContact CB-SD 4.21Å; M34-M99 VanDerWaalsContact O-CE 3.23Å; M34-M99 WeakPolarHBondContact O-CE 3.43Å; I36-M99 CarbonylContact C-O 3.55Å; I36-M99 WeakPolarHBondContact CA-O 3.41Å; I36-M99 WeakPolarHBondContact CG2-O 3.5Å; G37-M99 PolarHBondContact N-O 2.81Å; E38-M99 VanDerWaalsContact O-CB 3.3Å; E38-M99 WeakPolarHBondContact O-CB 3.41Å; E38-M99 PolarHBondContact O-N 2.73Å; V40-M99 HydrophobicContact CG2-CB 4.18Å; V40-M99 HydrophobicContact CG2-CG 4.07Å; V40-M99 HydrophobicContact CG2-SD 3.41Å; V40-M99 WeakPolarHBondContact CG2-SD 3.33Å; I96-M99 HydrophobicContact CG2-CB 4.42Å; M99-D103 HydrophobicContact CG-CB 3.89Å
100	L	97.6	Very high	97.6	Very high	52 Å²	52	49.6 Å²	49.6	27%	0.272	27%	0.269	S	S	.	.			trans	-106.9	165.2	176.9	-57.8	-174.1	0	0	0	111.5	N98 E102 D103	N98-L100 PolarHBondContact O-N 3.27Å; L100-E102 HydrophobicContact CB-CG 3.91Å; L100-E102 HydrophobicContact CD1-CG 4.49Å; L100-E102 PolarHBondContact O-N 3.37Å; L100-D103 PolarHBondContact N-OD2 3.05Å; L100-D103 WeakPolarHBondContact O-CB 3.44Å; L100-D103 PolarHBondContact O-N 2.83Å
101	S	96	Very high	97.4	Very high	91 Å²	91	47 Å²	47	64%	0.636	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27	176.2	56	0	0	0	0	113.5	D103	S101-D103 PolarHBondContact O-N 3.48Å
102	E	96.5	Very high	97.2	Very high	100 Å²	100	46.3 Å²	46.3	47%	0.467	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-75	-10.9	176.8	64.4	-177.7	-155.8	0	0	114.1	K60 R82 L100 V104	K60-E102 WeakPolarHBondContact CE-O 3.25Å; K60-E102 PolarHBondContact NZ-O 2.65Å; R82-E102 IonicContact CZ-OE1 3.65Å; R82-E102 IonicContact NH1-OE1 3.66Å; R82-E102 IonicContact NH2-OE1 2.75Å; R82-E102 PolarHBondContact NH2-OE1 3.37Å; L100-E102 HydrophobicContact CB-CG 3.91Å; L100-E102 HydrophobicContact CD1-CG 4.49Å; L100-E102 PolarHBondContact O-N 3.37Å; E102-V104 VanDerWaalsContact C-N 3.34Å
103	D	97.1	Very high	96.6	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.032	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-87.9	-3.4	-178.5	-61.2	-29.3	0	0	0	112.3	R82 F83 I96 M99 L100 S101 A105 Y107	R82-D103 IonicContact CZ-OD1 3.63Å; R82-D103 IonicContact CZ-OD2 3.53Å; R82-D103 IonicContact NE-OD1 3.77Å; R82-D103 IonicContact NE-OD2 3.02Å; R82-D103 PolarHBondContact NE-OD2 2.88Å; R82-D103 IonicContact NH2-OD1 2.7Å; R82-D103 PolarHBondContact NH2-OD1 3.38Å; R82-D103 IonicContact NH2-OD2 3.23Å; R82-D103 PolarHBondContact NH2-OD2 3.45Å; F83-D103 WeakPolarHBondContact CE2-OD1 3.3Å; F83-D103 HydrophobicContact CZ-CB 4.49Å; F83-D103 VanDerWaalsContact CZ-OD1 3.26Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.48Å; I96-D103 HydrophobicContact CD1-CB 4.37Å; M99-D103 HydrophobicContact CG-CB 3.89Å; L100-D103 PolarHBondContact N-OD2 3.05Å; L100-D103 WeakPolarHBondContact O-CB 3.44Å; L100-D103 PolarHBondContact O-N 2.83Å; S101-D103 PolarHBondContact O-N 3.48Å; D103-A105 PolarHBondContact O-N 2.84Å; D103-A105 VanDerWaalsContact O-N 3.13Å; D103-Y107 WeakPolarHBondContact O-CE2 3.32Å; D103-Y107 PolarHBondContact O-OH 2.82Å
104	V	96.6	Very high	95.5	Very high	105 Å²	105	51.6 Å²	51.6	64%	0.636	28%	0.279	S	S	*	.			trans	-69.4	109	175.4	-178.6	0	0	0	0	109.4	E102	E102-V104 VanDerWaalsContact C-N 3.34Å
105	A	97.2	Very high	94.2	Very high	23 Å²	23	57 Å²	57	19%	0.19	31%	0.307	C	S	.	.	S	Bend	trans	-165.9	168.3	-174.6	0	0	0	0	0	109.8	Q58 Q59 K60 D103 Y107	Q58-A105 HydrophobicContact CG-CB 3.42Å; Q58-A105 VanDerWaalsContact CG-CB 3.42Å; Q59-A105 WeakPolarHBondContact O-CB 3.27Å; K60-A105 HydrophobicContact CG-CB 4.06Å; D103-A105 PolarHBondContact O-N 2.84Å; D103-A105 VanDerWaalsContact O-N 3.13Å; A105-Y107 HydrophobicContact CB-CE2 3.93Å; A105-Y107 WeakPolarHBondContact O-CD2 3.4Å; A105-Y107 WeakPolarHBondContact O-CE2 3.41Å
106	D	97.8	Very high	92.3	Very high	93 Å²	93	64.9 Å²	64.9	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	143.1	162.1	-64.8	-48.9	0	0	0	109.5	Q58 Q59 Y108	Q58-D106 CarbonylContact C-O 3.52Å; Q58-D106 WeakPolarHBondContact CA-O 3.27Å; Q59-D106 HydrophobicContact CB-CB 4.48Å; Q59-D106 PolarHBondContact N-O 3.22Å; Q59-D106 PolarHBondContact O-N 2.79Å; D106-Y108 HydrophobicContact CB-CE2 3.79Å; D106-Y108 VanDerWaalsContact CB-OH 3.27Å; D106-Y108 WeakPolarHBondContact CB-OH 3.2Å
107	Y	98	Very high	92	Very high	22 Å²	22	68.1 Å²	68.1	9%	0.086	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.4	178.8	-67.6	-96.3	0	0	0	109.8	Q27 I42 Y57 Q58 L68 F94 I96 D103 A105	Q27-Y107 PolarHBondContact NE2-O 2.85Å; I42-Y107 HydrophobicContact CD1-CD2 4.23Å; I42-Y107 HydrophobicContact CD1-CG 3.96Å; Y57-Y107 VanDerWaalsContact O-CA 3.27Å; Y57-Y107 WeakPolarHBondContact O-CA 3.25Å; Q58-Y107 HydrophobicContact CB-CD1 4.16Å; Q58-Y107 HydrophobicContact CB-CE1 3.95Å; Q58-Y107 HydrophobicContact CG-CD1 4.41Å; Q58-Y107 HydrophobicContact CG-CE1 3.9Å; Q58-Y107 PolarHBondContact NE2-OH 2.87Å; L68-Y107 HydrophobicContact CD1-CD1 4.09Å; L68-Y107 HydrophobicContact CD1-CE1 3.83Å; F94-Y107 HydrophobicContact CD1-CD1 4.46Å; F94-Y107 AromaticContact CE1-CD1 3.66Å; F94-Y107 HydrophobicContact CE1-CD1 3.66Å; F94-Y107 AromaticContact CE1-CE1 3.77Å; F94-Y107 HydrophobicContact CE1-CE1 3.77Å; F94-Y107 HydrophobicContact CE1-CG 4.45Å; F94-Y107 HydrophobicContact CZ-CD1 4.11Å; F94-Y107 AromaticContact CZ-CE1 3.99Å; F94-Y107 HydrophobicContact CZ-CE1 3.99Å; I96-Y107 HydrophobicContact CD1-CE1 3.92Å; I96-Y107 HydrophobicContact CD1-CE2 4.33Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.34Å; D103-Y107 WeakPolarHBondContact O-CE2 3.32Å; D103-Y107 PolarHBondContact O-OH 2.82Å; A105-Y107 HydrophobicContact CB-CE2 3.93Å; A105-Y107 WeakPolarHBondContact O-CD2 3.4Å; A105-Y107 WeakPolarHBondContact O-CE2 3.41Å
108	Y	97.3	Very high	91.7	Very high	95 Å²	95	67.4 Å²	67.4	37%	0.373	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.9	-176.5	-52.3	-77.5	0	0	0	110.9	W56 Y57 Q59 D106	W56-Y108 CarbonylContact C-O 3.49Å; W56-Y108 WeakPolarHBondContact CA-O 3.47Å; Y57-Y108 PolarHBondContact N-O 3.36Å; Y57-Y108 PolarHBondContact O-N 2.69Å; Q59-Y108 HydrophobicContact CB-CD2 4.5Å; Q59-Y108 HydrophobicContact CB-CE2 3.79Å; D106-Y108 HydrophobicContact CB-CE2 3.79Å; D106-Y108 VanDerWaalsContact CB-OH 3.27Å; D106-Y108 WeakPolarHBondContact CB-OH 3.2Å
109	C	96.9	Very high	91.4	Very high	16 Å²	16	65.9 Å²	65.9	11%	0.108	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	143.3	164.6	64.8	0	0	0	0	111.4	V25 Q27 C44 M54 N55 W56	V25-C109 WeakPolarHBondContact CG1-SG 3.44Å; Q27-C109 PolarHBondContact OE1-SG 3.17Å; C44-C109 HydrophobicContact CB-CB 3.47Å; C44-C109 VanDerWaalsContact CB-CB 3.47Å; C44-C109 WeakPolarHBondContact CB-SG 3.29Å; C44-C109 WeakPolarHBondContact SG-CB 3.33Å; C44-C109 CovalentContact SG-SG 2.02Å; C44-C109 PolarHBondContact SG-SG 3.3Å; M54-C109 HydrophobicContact SD-CB 3.66Å; N55-C109 CarbonylContact O-C 3.57Å; N55-C109 VanDerWaalsContact O-CA 3.3Å; N55-C109 WeakPolarHBondContact O-CA 3.29Å; W56-C109 HydrophobicContact CD2-CB 4.16Å; W56-C109 HydrophobicContact CE3-CB 3.79Å; W56-C109 HydrophobicContact CH2-CB 3.85Å; W56-C109 HydrophobicContact CZ2-CB 4.17Å; W56-C109 HydrophobicContact CZ3-CB 3.64Å
110	L	95.7	Very high	91	Very high	82 Å²	82	68.8 Å²	68.8	43%	0.429	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	129.2	177.2	-177.9	72.1	0	0	0	109.7	N55 Y57	N55-L110 WeakPolarHBondContact CB-O 3.32Å; N55-L110 PolarHBondContact N-O 2.86Å; N55-L110 PolarHBondContact ND2-O 3.24Å; N55-L110 PolarHBondContact O-N 3.35Å; Y57-L110 HydrophobicContact CD2-CB 4.4Å; Y57-L110 HydrophobicContact CE2-CB 3.92Å; Y57-L110 HydrophobicContact CE2-CD2 4.11Å
111	Q	93.9	Very high	90.6	Very high	11 Å²	11	69.8 Å²	69.8	5%	0.051	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.2	170.7	69.1	82.2	22.2	0	0	111.2	T23 V25 T46 I50 D53 N114 L115	T23-Q111 HydrophobicContact CG2-CG 3.94Å; V25-Q111 HydrophobicContact CG2-CB 4.4Å; V25-Q111 HydrophobicContact CG2-CG 3.82Å; T46-Q111 HydrophobicContact CG2-CB 4.29Å; I50-Q111 HydrophobicContact CD1-CB 3.52Å; I50-Q111 HydrophobicContact CG2-CB 4.18Å; D53-Q111 CarbonylContact O-C 3.56Å; D53-Q111 VanDerWaalsContact O-CA 3.23Å; D53-Q111 WeakPolarHBondContact O-CA 3.49Å; Q111-N114 PolarHBondContact NE2-O 3.14Å; Q111-L115 WeakPolarHBondContact O-CD2 3.39Å
112	S	93.1	Very high	90.3	Very high	41 Å²	41	68.4 Å²	68.4	29%	0.287	38%	0.377	S	S	.	.			trans	-113.4	-0.5	178.3	47.9	0	0	0	0	115.8	D53 N55	D53-S112 WeakPolarHBondContact CB-OG 3.33Å; D53-S112 PolarHBondContact O-N 3.04Å; D53-S112 PolarHBondContact O-OG 3.48Å; D53-S112 PolarHBondContact OD1-OG 2.77Å; D53-S112 VanDerWaalsContact OD1-OG 3.06Å; N55-S112 PolarHBondContact ND2-OG 3.08Å
113	D	87.6	Confident	89.8	Confident	68 Å²	68	66.1 Å²	66.1	36%	0.364	37%	0.371	S	S	.	.	S	Bend	trans	-71	-54.6	-177.2	178.9	42.5	0	0	0	111.7	I50 D53	I50-D113 HydrophobicContact CB-CB 3.78Å; I50-D113 HydrophobicContact CG2-CB 3.95Å; D53-D113 HydrophobicContact CB-CB 3.82Å; D53-D113 WeakPolarHBondContact OD2-CB 3.44Å
114	N	75.8	Confident	89.2	Confident	74 Å²	74	70.8 Å²	70.8	40%	0.396	40%	0.397	S	S	.	.	S	Bend	trans	-117	74	-177.6	-64.6	-65.3	0	0	0	110.6	T23 Q111	T23-N114 PolarHBondContact OG1-ND2 3.28Å; Q111-N114 PolarHBondContact NE2-O 3.14Å
115	L	70.6	Confident	88.6	Confident	113 Å²	113	67.9 Å²	67.9	59%	0.592	38%	0.377	S	S	*	.			trans	-71.7	137.4	172.8	-62.6	176.2	0	0	0	110.2	Q111	Q111-L115 WeakPolarHBondContact O-CD2 3.39Å
116	P	59.7	Low	87.9	Confident	177 Å²	177	72 Å²	72	100%	1.149	39%	0.394	S	S	*	.			trans	-54.9	0	173.3	-24.6	33.2	0	0	0	114.4

Retrieved 116 of 116 residues in 107.4 ms (Link to these results)

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