A0A075B6B1_MOUSE Loading...

T cell receptor alpha variable 14D-1

AlphaFold DB , UniProt , Accession A0A075B6B1, Species MOUSE (Mus musculus, Mouse), Gene Trav14n-1, Length 121 aa.

						>A0A075B6B1_MOUSE|A0A075B6B1|Trav14n-1
MDKILTATFLLLGLHLAGVNGQQQEKRDQQQVRQSPQSLTVWEGETAILNCSYEDSTFNYFPWYQQFPGEGPALLISIRSVSDKKEDGRFTIFFNKREKKLSLHITDSQPGDSATYFCAAS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	59.8	Low	68.5	Low	206 Å²	206	123.1 Å²	123.1	100%	1.015	64%	0.639	S	S	*	*				0	-6.6	0	-156.6	154.9	61.3	0	0	111.5
2	D	68.6	Low	68.1	Low	127 Å²	127	121.9 Å²	121.9	68%	0.679	63%	0.633	S	S	*	*	H	α-helix	trans	-80.8	-30.7	-166	-48.3	-67.3	0	0	0	115.3	I4 L5 T6	D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact O-N 2.81Å; D2-L5 PolarHBondContact O-N 3.28Å; D2-T6 PolarHBondContact O-N 3.38Å; D2-T6 VanDerWaalsContact O-N 3.17Å; D2-T6 PolarHBondContact O-OG1 3.33Å
3	K	69.1	Low	67.6	Low	189 Å²	189	116.2 Å²	116.2	82%	0.822	62%	0.621	S	S	*	*	H	α-helix	trans	-63.3	-34.3	-175.8	-69.4	-174.8	177.5	-178.9	0	113.8	A7	K3-A7 PolarHBondContact O-N 3.18Å
4	I	69.5	Low	67.3	Low	130 Å²	130	117.3 Å²	117.3	67%	0.667	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-43.7	-179.7	-59.6	174.3	0	0	0	109.4	D2 T6 A7 T8	D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact O-N 2.81Å; I4-T6 VanDerWaalsContact C-N 3.31Å; I4-T6 PolarHBondContact O-N 3.07Å; I4-A7 PolarHBondContact O-N 2.94Å; I4-T8 PolarHBondContact O-N 3.22Å; I4-T8 VanDerWaalsContact O-N 3.09Å; I4-T8 PolarHBondContact O-OG1 3.09Å
5	L	72.7	Confident	66.7	Low	111 Å²	111	120.7 Å²	120.7	58%	0.581	64%	0.637	S	S	*	*	H	α-helix	trans	-59.4	-42.9	176.7	-127.5	86.7	0	0	0	111.3	D2 A7 T8 F9	D2-L5 PolarHBondContact O-N 3.28Å; L5-A7 PolarHBondContact O-N 3.39Å; L5-T8 PolarHBondContact O-N 3.17Å; L5-F9 HydrophobicContact CD2-CE2 4.23Å; L5-F9 WeakPolarHBondContact O-CD2 3.35Å; L5-F9 PolarHBondContact O-N 3.27Å
6	T	67.9	Low	66.2	Low	84 Å²	84	122.7 Å²	122.7	52%	0.515	65%	0.647	S	S	.	*	H	α-helix	trans	-62.5	-42.2	180	-18.2	0	0	0	0	111.9	D2 I4 F9 L10	D2-T6 PolarHBondContact O-N 3.38Å; D2-T6 VanDerWaalsContact O-N 3.17Å; D2-T6 PolarHBondContact O-OG1 3.33Å; I4-T6 VanDerWaalsContact C-N 3.31Å; I4-T6 PolarHBondContact O-N 3.07Å; T6-F9 PolarHBondContact O-N 3.28Å; T6-L10 WeakPolarHBondContact O-CG 3.45Å; T6-L10 PolarHBondContact O-N 3.44Å
7	A	69.5	Low	65.7	Low	50 Å²	50	120.1 Å²	120.1	41%	0.413	65%	0.647	S	S	.	*	H	α-helix	trans	-64.8	-39.8	177.7	0	0	0	0	0	112	K3 I4 L5 L10 L11	K3-A7 PolarHBondContact O-N 3.18Å; I4-A7 PolarHBondContact O-N 2.94Å; L5-A7 PolarHBondContact O-N 3.39Å; A7-L10 PolarHBondContact O-N 3.4Å; A7-L11 WeakPolarHBondContact O-CG 3.43Å; A7-L11 PolarHBondContact O-N 3.12Å; A7-L11 VanDerWaalsContact O-N 3.13Å
8	T	69.4	Low	65	Low	72 Å²	72	116.4 Å²	116.4	44%	0.442	64%	0.642	S	S	.	*	H	α-helix	trans	-64.2	-41.2	176.9	-44.5	0	0	0	0	111.9	I4 L5 L11 L12	I4-T8 PolarHBondContact O-N 3.22Å; I4-T8 VanDerWaalsContact O-N 3.09Å; I4-T8 PolarHBondContact O-OG1 3.09Å; L5-T8 PolarHBondContact O-N 3.17Å; T8-L11 PolarHBondContact O-N 3.42Å; T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 PolarHBondContact O-N 3.13Å; T8-L12 VanDerWaalsContact O-N 3.12Å
9	F	69.5	Low	64.5	Low	148 Å²	148	117.9 Å²	117.9	65%	0.649	65%	0.654	S	S	*	*	H	α-helix	trans	-63.6	-40.5	176.6	-91.9	-80.3	0	0	0	112.8	L5 T6 G13	L5-F9 HydrophobicContact CD2-CE2 4.23Å; L5-F9 WeakPolarHBondContact O-CD2 3.35Å; L5-F9 PolarHBondContact O-N 3.27Å; T6-F9 PolarHBondContact O-N 3.28Å; F9-G13 PolarHBondContact O-N 3.47Å
10	L	73.4	Confident	63.8	Low	125 Å²	125	119.7 Å²	119.7	65%	0.654	66%	0.663	S	S	*	*	H	α-helix	trans	-66.3	-39.5	177.4	-68.3	173.6	0	0	0	112.5	T6 A7 G13 L14	T6-L10 WeakPolarHBondContact O-CG 3.45Å; T6-L10 PolarHBondContact O-N 3.44Å; A7-L10 PolarHBondContact O-N 3.4Å; L10-G13 PolarHBondContact O-N 3.46Å; L10-L14 PolarHBondContact O-N 3.18Å
11	L	64	Low	63.3	Low	112 Å²	112	116.8 Å²	116.8	59%	0.586	66%	0.659	S	S	*	*	H	α-helix	trans	-66.9	-40	178.2	-74.2	165.1	0	0	0	112.4	A7 T8 L14	A7-L11 WeakPolarHBondContact O-CG 3.43Å; A7-L11 PolarHBondContact O-N 3.12Å; A7-L11 VanDerWaalsContact O-N 3.13Å; T8-L11 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.47Å
12	L	64.3	Low	62.9	Low	109 Å²	109	115.2 Å²	115.2	57%	0.571	65%	0.65	S	S	*	*	H	α-helix	trans	-65.4	-36.6	175.4	-84.5	153.7	0	0	0	112.5	T8 L14 H15	T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 PolarHBondContact O-N 3.13Å; T8-L12 VanDerWaalsContact O-N 3.12Å; L12-L14 PolarHBondContact O-N 3.38Å; L12-H15 PolarHBondContact O-N 3.4Å
13	G	61.4	Low	62	Low	47 Å²	47	118.2 Å²	118.2	49%	0.485	66%	0.66	S	S	.	*	H	α-helix	trans	-64.5	-34.5	177.9	0	0	0	0	0	114.1	F9 L10	F9-G13 PolarHBondContact O-N 3.47Å; L10-G13 PolarHBondContact O-N 3.46Å
14	L	62.6	Low	61	Low	132 Å²	132	117.1 Å²	117.1	69%	0.691	66%	0.658	S	S	*	*	H	α-helix	trans	-71.8	-31.4	179.8	-81.9	155.1	0	0	0	113.3	L10 L11 L12	L10-L14 PolarHBondContact O-N 3.18Å; L11-L14 PolarHBondContact O-N 3.47Å; L12-L14 PolarHBondContact O-N 3.38Å
15	H	59.7	Low	60.1	Low	168 Å²	168	118.9 Å²	118.9	78%	0.778	66%	0.663	S	S	*	*	H	α-helix	trans	-76.7	-24.3	179.6	-81.9	-65.9	0	0	0	113.9	L12	L12-H15 PolarHBondContact O-N 3.4Å
16	L	57.8	Low	59.1	Low	153 Å²	153	121.5 Å²	121.5	80%	0.801	67%	0.67	S	S	*	*	H	α-helix	trans	-86.6	-12.8	177.2	-67.1	173.4	0	0	0	113	G18	L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 2.89Å
17	A	57.7	Low	58.4	Low	79 Å²	79	128 Å²	128	65%	0.653	69%	0.685	S	S	*	*	S	Bend	trans	-76.7	79.9	178	0	0	0	0	0	111.4
18	G	53.4	Low	57.9	Low	53 Å²	53	130.8 Å²	130.8	55%	0.546	69%	0.693	S	S	.	*			trans	78.1	73.2	138.9	0	0	0	0	0	116.6	L16 N20	L16-G18 VanDerWaalsContact C-N 3.29Å; L16-G18 PolarHBondContact O-N 2.89Å; G18-N20 PolarHBondContact O-N 2.79Å
19	V	54.8	Low	57.6	Low	146 Å²	146	135.5 Å²	135.5	89%	0.885	71%	0.709	S	S	*	*			trans	-80.3	82.2	143.5	-155.5	0	0	0	0	106.2	G21	V19-G21 PolarHBondContact O-N 3.18Å
20	N	51.2	Low	57.7	Low	153 Å²	153	134 Å²	134	82%	0.818	71%	0.705	S	S	*	*			trans	-68.3	77.8	163.7	-82.3	-5.7	0	0	0	106.9	G18 Q22	G18-N20 PolarHBondContact O-N 2.79Å; N20-Q22 VanDerWaalsContact C-N 3.26Å; N20-Q22 PolarHBondContact O-N 2.76Å
21	G	53.4	Low	58.5	Low	58 Å²	58	132.1 Å²	132.1	60%	0.598	69%	0.692	S	S	*	*			trans	-62.1	97.5	164.4	0	0	0	0	0	106.5	V19 Q23	V19-G21 PolarHBondContact O-N 3.18Å; G21-Q23 PolarHBondContact O-N 2.89Å
22	Q	50.8	Low	60.1	Low	173 Å²	173	128.1 Å²	128.1	81%	0.808	67%	0.673	S	S	*	*			trans	-60.2	88.7	159.1	-68	-178.8	-66	0	0	105.6	N20 Q24	N20-Q22 VanDerWaalsContact C-N 3.26Å; N20-Q22 PolarHBondContact O-N 2.76Å; Q22-Q24 PolarHBondContact O-N 2.85Å
23	Q	49.4	Very low	61.6	Low	190 Å²	190	129.3 Å²	129.3	89%	0.888	67%	0.669	S	S	*	*			trans	-65.9	75.6	157.9	-76.2	-179.2	-18.1	0	0	105.5	G21 E25	G21-Q23 PolarHBondContact O-N 2.89Å; Q23-E25 PolarHBondContact O-N 2.78Å
24	Q	47.9	Very low	63.4	Low	167 Å²	167	130.4 Å²	130.4	78%	0.78	66%	0.662	S	S	*	*			trans	-69.1	89.4	162.2	-168.5	144.3	-40.1	0	0	104.3	Q22 K26	Q22-Q24 PolarHBondContact O-N 2.85Å; Q24-K26 VanDerWaalsContact C-N 3.26Å; Q24-K26 PolarHBondContact O-N 2.77Å
25	E	51.6	Low	65.1	Low	167 Å²	167	127 Å²	127	78%	0.78	65%	0.65	S	S	*	*			trans	-45	99.9	165.9	-169.6	177.2	-154.2	0	0	105.6	Q23 R27	Q23-E25 PolarHBondContact O-N 2.78Å; E25-R27 PolarHBondContact O-N 2.88Å
26	K	51.7	Low	66.9	Low	165 Å²	165	121.7 Å²	121.7	72%	0.717	63%	0.63	S	S	*	*			trans	-63.1	91.7	172.9	-172	-177.4	-176.4	-116.7	0	102.8	Q24 D28	Q24-K26 VanDerWaalsContact C-N 3.26Å; Q24-K26 PolarHBondContact O-N 2.77Å; K26-D28 WeakPolarHBondContact CE-OD1 3.49Å; K26-D28 IonicContact NZ-OD1 3.71Å; K26-D28 PolarHBondContact NZ-OD1 3.2Å; K26-D28 PolarHBondContact O-N 2.85Å
27	R	52.7	Low	68.8	Low	222 Å²	222	124.1 Å²	124.1	84%	0.838	64%	0.637	S	S	*	*			trans	-58.7	84.1	157.4	-98.1	-166.7	-93.8	-152	-6.8	103.7	E25 Q29	E25-R27 PolarHBondContact O-N 2.88Å; R27-Q29 PolarHBondContact O-N 3.06Å
28	D	58.7	Low	70.7	Confident	108 Å²	108	125.2 Å²	125.2	58%	0.578	64%	0.64	S	S	*	*			trans	-49.1	116.5	163.8	-110.4	-7.3	0	0	0	103.3	K26 Q30	K26-D28 WeakPolarHBondContact CE-OD1 3.49Å; K26-D28 IonicContact NZ-OD1 3.71Å; K26-D28 PolarHBondContact NZ-OD1 3.2Å; K26-D28 PolarHBondContact O-N 2.85Å; D28-Q30 PolarHBondContact O-N 3.25Å
29	Q	63.7	Low	72.9	Confident	170 Å²	170	126.2 Å²	126.2	79%	0.794	63%	0.632	S	S	*	*			trans	-63	86.4	171.9	-71.1	172.6	-30	0	0	104.8	R27 Q31	R27-Q29 PolarHBondContact O-N 3.06Å; Q29-Q31 VanDerWaalsContact C-N 3.29Å; Q29-Q31 WeakPolarHBondContact O-CG 3.42Å; Q29-Q31 PolarHBondContact O-N 2.92Å
30	Q	71.4	Confident	74.9	Confident	117 Å²	117	125.5 Å²	125.5	55%	0.547	63%	0.629	S	S	.	*			trans	-73.8	92.4	-172.3	-166.2	-174.5	-73.4	0	0	107.2	D28 V32	D28-Q30 PolarHBondContact O-N 3.25Å; Q30-V32 VanDerWaalsContact CG-O 3.26Å; Q30-V32 WeakPolarHBondContact CG-O 3.4Å; Q30-V32 PolarHBondContact NE2-O 2.71Å; Q30-V32 PolarHBondContact O-N 3.22Å; Q30-V32 VanDerWaalsContact O-N 3.14Å
31	Q	90.5	Very high	77.2	Confident	85 Å²	85	120.7 Å²	120.7	40%	0.397	61%	0.605	S	S	.	*			trans	-67.4	-13	-174	-65.4	-177.4	-52.7	0	0	113.1	Q29 Y53 E54 F58	Q29-Q31 VanDerWaalsContact C-N 3.29Å; Q29-Q31 WeakPolarHBondContact O-CG 3.42Å; Q29-Q31 PolarHBondContact O-N 2.92Å; Q31-Y53 CarbonylContact O-C 3.57Å; Q31-Y53 WeakPolarHBondContact O-CA 3.28Å; Q31-E54 PolarHBondContact O-N 3.05Å; Q31-F58 HydrophobicContact CB-CE2 4.08Å; Q31-F58 HydrophobicContact CB-CZ 4.37Å
32	V	96.8	Very high	79.3	Confident	28 Å²	28	127.6 Å²	127.6	17%	0.17	61%	0.613	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-134	127.7	-179.5	-176.4	0	0	0	0	109.9	Q30 C51 S52 C118 A120	Q30-V32 VanDerWaalsContact CG-O 3.26Å; Q30-V32 WeakPolarHBondContact CG-O 3.4Å; Q30-V32 PolarHBondContact NE2-O 2.71Å; Q30-V32 PolarHBondContact O-N 3.22Å; Q30-V32 VanDerWaalsContact O-N 3.14Å; V32-C51 WeakPolarHBondContact CG1-SG 3.26Å; V32-S52 CarbonylContact C-O 3.57Å; V32-S52 WeakPolarHBondContact CA-O 3.38Å; V32-C118 HydrophobicContact CG1-CB 4.38Å; V32-A120 HydrophobicContact CG2-CB 3.71Å
33	R	97.6	Very high	81.6	Confident	134 Å²	134	126.4 Å²	126.4	51%	0.506	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	138.1	-179.5	-53.9	-177.1	-171.8	-166.2	5.2	110.4	C51 S52 E54	R33-C51 CarbonylContact O-C 3.58Å; R33-C51 VanDerWaalsContact O-CA 3.27Å; R33-C51 WeakPolarHBondContact O-CA 3.47Å; R33-S52 PolarHBondContact N-O 2.7Å; R33-S52 PolarHBondContact O-N 3.05Å; R33-E54 IonicContact CZ-OE1 3.32Å; R33-E54 IonicContact NE-OE1 2.7Å; R33-E54 PolarHBondContact NE-OE1 2.68Å; R33-E54 IonicContact NH2-OE1 3.05Å; R33-E54 PolarHBondContact NH2-OE1 2.8Å
34	Q	98.1	Very high	83.9	Confident	70 Å²	70	119.3 Å²	119.3	33%	0.327	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.5	150.1	179.7	-75.6	177.4	-119.1	0	0	112.3	N50 C51 Y116 C118	Q34-N50 CarbonylContact C-O 3.59Å; Q34-N50 VanDerWaalsContact CA-O 3.25Å; Q34-N50 WeakPolarHBondContact CA-O 3.3Å; Q34-C51 HydrophobicContact CG-CB 4.34Å; Q34-Y116 PolarHBondContact NE2-O 2.79Å; Q34-C118 VanDerWaalsContact CD-N 3.32Å; Q34-C118 HydrophobicContact CG-CB 3.7Å
35	S	98.3	Very high	86.3	Confident	62 Å²	62	115.8 Å²	115.8	43%	0.434	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-153.7	145.4	173.7	62.1	0	0	0	0	112.1	N50	S35-N50 PolarHBondContact N-O 3.1Å; S35-N50 WeakPolarHBondContact O-CB 3.33Å; S35-N50 PolarHBondContact O-N 3.33Å
36	P	98.3	Very high	88.6	Confident	55 Å²	55	111 Å²	111	36%	0.357	55%	0.551	S	S	.	*			cis	-72.2	169.2	-7.9	34.2	-37.8	0	0	0	111.8	S38 L39	P36-S38 VanDerWaalsContact C-N 3.32Å; P36-S38 WeakPolarHBondContact CB-O 3.46Å; P36-S38 WeakPolarHBondContact CG-O 3.34Å; P36-L39 HydrophobicContact CG-CB 3.96Å; P36-L39 HydrophobicContact CG-CD1 4.28Å
37	Q	97.1	Very high	90.8	Very high	205 Å²	205	103.7 Å²	103.7	96%	0.958	52%	0.521	S	S	*	.	S	Bend	trans	-72.3	-28.6	175.3	-70.7	-179.2	-1.8	0	0	112.6
38	S	98.1	Very high	93	Very high	101 Å²	101	96.3 Å²	96.3	71%	0.706	50%	0.497	S	S	*	.	S	Bend	trans	-143.7	143.1	175.1	-177.3	0	0	0	0	108	P36	P36-S38 VanDerWaalsContact C-N 3.32Å; P36-S38 WeakPolarHBondContact CB-O 3.46Å; P36-S38 WeakPolarHBondContact CG-O 3.34Å
39	L	98.2	Very high	94.9	Very high	74 Å²	74	92.1 Å²	92.1	39%	0.387	48%	0.475	S	S	.	.			trans	-136.8	135.3	-179.5	-179.6	63.8	0	0	0	108.2	P36 V41 A47 L49	P36-L39 HydrophobicContact CG-CB 3.96Å; P36-L39 HydrophobicContact CG-CD1 4.28Å; L39-V41 HydrophobicContact CD1-CG1 4.15Å; L39-V41 HydrophobicContact CD2-CG1 4.09Å; L39-V41 HydrophobicContact CG-CG1 3.95Å; L39-A47 HydrophobicContact CD2-CB 3.74Å; L39-L49 HydrophobicContact CB-CD2 4.41Å; L39-L49 HydrophobicContact CD2-CD2 4.15Å
40	T	98.4	Very high	96.6	Very high	132 Å²	132	87.5 Å²	87.5	81%	0.81	46%	0.455	S	S	*	.			trans	-122.5	130.8	169.7	-55.6	0	0	0	0	107.3
41	V	98	Very high	97.9	Very high	52 Å²	52	82.1 Å²	82.1	32%	0.315	43%	0.431	S	S	.	.			trans	-134.2	156.1	179.1	-66.1	0	0	0	0	109.5	L39 E45 A47	L39-V41 HydrophobicContact CD1-CG1 4.15Å; L39-V41 HydrophobicContact CD2-CG1 4.09Å; L39-V41 HydrophobicContact CG-CG1 3.95Å; V41-E45 HydrophobicContact CB-CB 4.41Å; V41-A47 HydrophobicContact CG1-CB 4.04Å; V41-A47 HydrophobicContact CG2-CB 4.01Å
42	W	98.4	Very high	98.2	Very high	202 Å²	202	80 Å²	80	77%	0.765	43%	0.426	S	S	*	.			trans	-80.2	157	172.9	-61.6	103.3	0	0	0	111.5	G44 E45	W42-G44 PolarHBondContact O-N 2.84Å; W42-E45 HydrophobicContact CB-CG 3.96Å; W42-E45 WeakPolarHBondContact CB-OE2 3.34Å; W42-E45 PolarHBondContact N-OE2 3.46Å; W42-E45 WeakPolarHBondContact O-CB 3.25Å; W42-E45 PolarHBondContact O-N 2.68Å; W42-E45 VanDerWaalsContact O-N 3.1Å
43	E	98.3	Very high	98.3	Very high	149 Å²	149	79.2 Å²	79.2	70%	0.696	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	136.7	172.6	-172.4	174.8	-179.4	0	0	110.5	E45 S108	E43-E45 PolarHBondContact O-N 3.46Å; E43-S108 CarbonylContact C-O 3.49Å; E43-S108 VanDerWaalsContact CA-O 3.28Å; E43-S108 WeakPolarHBondContact CA-O 3.47Å; E43-S108 WeakPolarHBondContact CG-O 3.28Å
44	G	98.5	Very high	98.2	Very high	41 Å²	41	76.9 Å²	76.9	42%	0.423	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-14.6	-175.5	0	0	0	0	0	115.1	W42 S108	W42-G44 PolarHBondContact O-N 2.84Å; G44-S108 PolarHBondContact N-O 3.39Å
45	E	98.6	Very high	98.1	Very high	93 Å²	93	75.9 Å²	75.9	44%	0.435	41%	0.412	S	S	.	.	S	Bend	trans	-74.3	170.5	175.6	-66.9	-171.1	141.6	0	0	112.1	V41 W42 E43 S108	V41-E45 HydrophobicContact CB-CB 4.41Å; W42-E45 HydrophobicContact CB-CG 3.96Å; W42-E45 WeakPolarHBondContact CB-OE2 3.34Å; W42-E45 PolarHBondContact N-OE2 3.46Å; W42-E45 WeakPolarHBondContact O-CB 3.25Å; W42-E45 PolarHBondContact O-N 2.68Å; W42-E45 VanDerWaalsContact O-N 3.1Å; E43-E45 PolarHBondContact O-N 3.46Å; E45-S108 VanDerWaalsContact O-CB 3.25Å; E45-S108 WeakPolarHBondContact O-CB 3.28Å; E45-S108 PolarHBondContact O-N 3.02Å; E45-S108 PolarHBondContact O-OG 2.97Å
46	T	98.8	Very high	97.9	Very high	67 Å²	67	76.8 Å²	76.8	41%	0.411	42%	0.418	S	S	.	.			trans	-98.9	115.8	173.5	-58.7	0	0	0	0	110.6	I48 H104 I105 T106	T46-I48 HydrophobicContact CG2-CG1 4.03Å; T46-H104 HydrophobicContact CG2-CB 4.33Å; T46-I105 CarbonylContact C-O 3.55Å; T46-I105 VanDerWaalsContact CA-O 3.28Å; T46-I105 WeakPolarHBondContact CA-O 3.45Å; T46-T106 HydrophobicContact CG2-CG2 4.14Å
47	A	98.7	Very high	97.8	Very high	10 Å²	10	78.8 Å²	78.8	8%	0.083	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.1	167.6	0	0	0	0	0	110.6	L39 V41 H104 I105	L39-A47 HydrophobicContact CD2-CB 3.74Å; V41-A47 HydrophobicContact CG1-CB 4.04Å; V41-A47 HydrophobicContact CG2-CB 4.01Å; A47-H104 WeakPolarHBondContact O-CA 3.43Å; A47-I105 HydrophobicContact CB-CB 4.25Å; A47-I105 PolarHBondContact N-O 2.83Å; A47-I105 PolarHBondContact O-N 2.83Å
48	I	98.8	Very high	97.8	Very high	68 Å²	68	70 Å²	70	35%	0.349	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117	179.6	-56.2	176.7	0	0	0	109.3	T46 L103	T46-I48 HydrophobicContact CG2-CG1 4.03Å; I48-L103 WeakPolarHBondContact CA-O 3.41Å
49	L	98.9	Very high	97.7	Very high	20 Å²	20	69.4 Å²	69.4	11%	0.105	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.2	173.3	-61.7	173.5	0	0	0	109	L39 W63 S102 L103 Y116	L39-L49 HydrophobicContact CB-CD2 4.41Å; L39-L49 HydrophobicContact CD2-CD2 4.15Å; L49-W63 HydrophobicContact CB-CH2 3.77Å; L49-W63 HydrophobicContact CB-CZ3 3.98Å; L49-W63 HydrophobicContact CD1-CZ3 4.2Å; L49-S102 CarbonylContact O-C 3.6Å; L49-S102 WeakPolarHBondContact O-CA 3.35Å; L49-L103 HydrophobicContact CB-CB 4.44Å; L49-L103 HydrophobicContact CD1-CD2 4.43Å; L49-L103 PolarHBondContact N-O 2.93Å; L49-L103 PolarHBondContact O-N 2.94Å; L49-Y116 VanDerWaalsContact CD1-CB 3.46Å; L49-Y116 HydrophobicContact CD1-CD1 4.38Å; L49-Y116 HydrophobicContact CD1-CD2 3.91Å; L49-Y116 HydrophobicContact CD1-CG 3.67Å
50	N	98.8	Very high	97.7	Very high	72 Å²	72	68.8 Å²	68.8	39%	0.385	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.3	-179.2	-60.1	-79.1	0	0	0	110.5	Q34 S35	Q34-N50 CarbonylContact C-O 3.59Å; Q34-N50 VanDerWaalsContact CA-O 3.25Å; Q34-N50 WeakPolarHBondContact CA-O 3.3Å; S35-N50 PolarHBondContact N-O 3.1Å; S35-N50 WeakPolarHBondContact O-CB 3.33Å; S35-N50 PolarHBondContact O-N 3.33Å
51	C	98.5	Very high	97.7	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.027	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.3	177.5	-177.8	0	0	0	0	110	V32 R33 Q34 W63 K100 L101 C118	V32-C51 WeakPolarHBondContact CG1-SG 3.26Å; R33-C51 CarbonylContact O-C 3.58Å; R33-C51 VanDerWaalsContact O-CA 3.27Å; R33-C51 WeakPolarHBondContact O-CA 3.47Å; Q34-C51 HydrophobicContact CG-CB 4.34Å; C51-W63 HydrophobicContact CB-CH2 3.96Å; C51-W63 HydrophobicContact CB-CZ2 3.61Å; C51-K100 CarbonylContact O-C 3.57Å; C51-K100 VanDerWaalsContact O-CA 3.31Å; C51-K100 WeakPolarHBondContact O-CA 3.43Å; C51-L101 HydrophobicContact CB-CD1 3.86Å; C51-L101 HydrophobicContact CB-CG 3.96Å; C51-L101 PolarHBondContact N-O 2.92Å; C51-L101 PolarHBondContact O-N 2.79Å; C51-C118 HydrophobicContact CB-CB 3.6Å; C51-C118 WeakPolarHBondContact CB-SG 3.35Å; C51-C118 WeakPolarHBondContact SG-CB 3.48Å; C51-C118 CovalentContact SG-SG 2.03Å; C51-C118 PolarHBondContact SG-SG 2.91Å
52	S	98.2	Very high	97.8	Very high	42 Å²	42	60.2 Å²	60.2	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.1	174.9	61.9	0	0	0	0	110.1	V32 R33 K99	V32-S52 CarbonylContact C-O 3.57Å; V32-S52 WeakPolarHBondContact CA-O 3.38Å; R33-S52 PolarHBondContact N-O 2.7Å; R33-S52 PolarHBondContact O-N 3.05Å; S52-K99 VanDerWaalsContact CA-O 3.27Å; S52-K99 WeakPolarHBondContact CA-O 3.45Å
53	Y	97.4	Very high	97.8	Very high	10 Å²	10	50.6 Å²	50.6	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.4	-178.9	67.2	-83	0	0	0	112.5	Q31 D55 F58 F61 F94 K99 L101	Q31-Y53 CarbonylContact O-C 3.57Å; Q31-Y53 WeakPolarHBondContact O-CA 3.28Å; Y53-D55 WeakPolarHBondContact CD2-O 3.41Å; Y53-D55 VanDerWaalsContact CE2-O 3.24Å; Y53-D55 WeakPolarHBondContact CE2-O 3.25Å; Y53-F58 HydrophobicContact CD2-CD2 4.06Å; Y53-F61 HydrophobicContact CD1-CD1 4.38Å; Y53-F61 AromaticContact CD1-CE1 3.68Å; Y53-F61 HydrophobicContact CD1-CE1 3.68Å; Y53-F61 HydrophobicContact CD1-CZ 4.4Å; Y53-F61 HydrophobicContact CD2-CE1 4.09Å; Y53-F61 AromaticContact CE1-CE1 3.63Å; Y53-F61 HydrophobicContact CE1-CE1 3.63Å; Y53-F61 AromaticContact CE1-CZ 3.91Å; Y53-F61 HydrophobicContact CE1-CZ 3.91Å; Y53-F61 HydrophobicContact CE2-CE1 4.04Å; Y53-F61 HydrophobicContact CE2-CZ 4.05Å; Y53-F61 AromaticContact CG-CE1 3.92Å; Y53-F61 HydrophobicContact CG-CE1 3.92Å; Y53-F61 AromaticContact CZ-CE1 3.82Å; Y53-F61 AromaticContact CZ-CZ 3.72Å; Y53-F94 AromaticContact CE1-CE2 3.73Å; Y53-F94 HydrophobicContact CE1-CE2 3.73Å; Y53-F94 HydrophobicContact CE1-CZ 4.34Å; Y53-F94 WeakPolarHBondContact OH-CZ 3.37Å; Y53-K99 HydrophobicContact CD1-CB 4.03Å; Y53-K99 VanDerWaalsContact CD1-O 3.27Å; Y53-K99 WeakPolarHBondContact CD1-O 3.49Å; Y53-K99 HydrophobicContact CD2-CB 4.27Å; Y53-K99 HydrophobicContact CE1-CB 3.74Å; Y53-K99 HydrophobicContact CE2-CB 4.01Å; Y53-K99 HydrophobicContact CE2-CD 4.38Å; Y53-K99 HydrophobicContact CE2-CG 4.08Å; Y53-K99 HydrophobicContact CG-CB 4.28Å; Y53-K99 PolarHBondContact N-O 2.83Å; Y53-K99 VanDerWaalsContact O-CB 3.22Å; Y53-K99 WeakPolarHBondContact O-CB 3.12Å; Y53-K99 WeakPolarHBondContact O-CD 3.16Å; Y53-L101 HydrophobicContact CD1-CD2 4.03Å; Y53-L101 HydrophobicContact CE1-CD2 4.17Å
54	E	96.3	Very high	97.8	Very high	86 Å²	86	47.1 Å²	47.1	40%	0.402	26%	0.262	S	S	.	.	S	Bend	trans	-98.6	-42.7	-174.3	-63.4	-175.3	-179.3	0	0	112.4	Q31 R33 S56 K99	Q31-E54 PolarHBondContact O-N 3.05Å; R33-E54 IonicContact CZ-OE1 3.32Å; R33-E54 IonicContact NE-OE1 2.7Å; R33-E54 PolarHBondContact NE-OE1 2.68Å; R33-E54 IonicContact NH2-OE1 3.05Å; R33-E54 PolarHBondContact NH2-OE1 2.8Å; E54-S56 PolarHBondContact O-N 2.74Å; E54-K99 PolarHBondContact O-NZ 2.8Å
55	D	95.1	Very high	97.8	Very high	49 Å²	49	46.5 Å²	46.5	26%	0.262	25%	0.248	S	C	.	.			trans	-80.7	118	-175.2	-166.8	-24	0	0	0	112.4	Y53 T57 F58	Y53-D55 WeakPolarHBondContact CD2-O 3.41Å; Y53-D55 VanDerWaalsContact CE2-O 3.24Å; Y53-D55 WeakPolarHBondContact CE2-O 3.25Å; D55-T57 PolarHBondContact O-N 2.9Å; D55-T57 VanDerWaalsContact OD1-CB 3.32Å; D55-T57 WeakPolarHBondContact OD1-CB 3.19Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.47Å; D55-T57 PolarHBondContact OD1-N 2.97Å; D55-T57 PolarHBondContact OD1-OG1 2.84Å; D55-T57 PolarHBondContact OD2-OG1 3.47Å; D55-F58 HydrophobicContact CB-CD1 4.31Å; D55-F58 HydrophobicContact CB-CD2 3.78Å; D55-F58 HydrophobicContact CB-CE1 4.08Å; D55-F58 HydrophobicContact CB-CE2 3.56Å; D55-F58 HydrophobicContact CB-CG 4.17Å; D55-F58 HydrophobicContact CB-CZ 3.72Å; D55-F58 WeakPolarHBondContact O-CD2 3.27Å; D55-F58 PolarHBondContact O-N 2.87Å
56	S	94.7	Very high	97.8	Very high	81 Å²	81	44.7 Å²	44.7	57%	0.566	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.6	179.1	50	0	0	0	0	114.7	E54 F58	E54-S56 PolarHBondContact O-N 2.74Å; S56-F58 VanDerWaalsContact C-N 3.35Å
57	T	95.8	Very high	97.8	Very high	96 Å²	96	44.8 Å²	44.8	59%	0.589	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.5	177.4	66.3	0	0	0	0	112.6	D55 N59	D55-T57 PolarHBondContact O-N 2.9Å; D55-T57 VanDerWaalsContact OD1-CB 3.32Å; D55-T57 WeakPolarHBondContact OD1-CB 3.19Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.47Å; D55-T57 PolarHBondContact OD1-N 2.97Å; D55-T57 PolarHBondContact OD1-OG1 2.84Å; D55-T57 PolarHBondContact OD2-OG1 3.47Å; T57-N59 PolarHBondContact O-N 2.86Å
58	F	96.8	Very high	97.8	Very high	21 Å²	21	49.9 Å²	49.9	9%	0.092	27%	0.267	C	S	.	.			trans	-59.5	133	176.4	-62.1	-27.2	0	0	0	111.8	Q31 Y53 D55 S56 F61 A120 S121	Q31-F58 HydrophobicContact CB-CE2 4.08Å; Q31-F58 HydrophobicContact CB-CZ 4.37Å; Y53-F58 HydrophobicContact CD2-CD2 4.06Å; D55-F58 HydrophobicContact CB-CD1 4.31Å; D55-F58 HydrophobicContact CB-CD2 3.78Å; D55-F58 HydrophobicContact CB-CE1 4.08Å; D55-F58 HydrophobicContact CB-CE2 3.56Å; D55-F58 HydrophobicContact CB-CG 4.17Å; D55-F58 HydrophobicContact CB-CZ 3.72Å; D55-F58 WeakPolarHBondContact O-CD2 3.27Å; D55-F58 PolarHBondContact O-N 2.87Å; S56-F58 VanDerWaalsContact C-N 3.35Å; F58-F61 HydrophobicContact CB-CE1 4.02Å; F58-F61 HydrophobicContact CB-CZ 4Å; F58-F61 WeakPolarHBondContact O-CZ 2.99Å; F58-A120 HydrophobicContact CB-CB 4.08Å; F58-A120 HydrophobicContact CD2-CB 3.36Å; F58-A120 HydrophobicContact CE2-CB 3.9Å; F58-A120 HydrophobicContact CG-CB 3.89Å; F58-S121 CarbonylContact C-O 3.56Å; F58-S121 WeakPolarHBondContact CA-O 3.43Å; F58-S121 WeakPolarHBondContact CD1-OXT 3.33Å
59	N	97.3	Very high	97.7	Very high	88 Å²	88	51 Å²	51	47%	0.471	30%	0.295	S	S	.	.			trans	-131.2	-5.5	-175.1	69.3	41.7	0	0	0	113.9	T57 R79 S80 S121	T57-N59 PolarHBondContact O-N 2.86Å; N59-R79 CarbonylContact O-C 3.52Å; N59-R79 VanDerWaalsContact O-CA 3.27Å; N59-R79 WeakPolarHBondContact O-CA 3.34Å; N59-S80 PolarHBondContact O-N 2.82Å; N59-S121 PolarHBondContact N-O 2.92Å
60	Y	98.4	Very high	97.7	Very high	61 Å²	61	55.6 Å²	55.6	24%	0.239	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.2	177.6	-178.9	-114	0	0	0	110.7	P62 S77 R79 A120 S121	Y60-P62 HydrophobicContact CD1-CG 4.13Å; Y60-P62 HydrophobicContact CE1-CB 3.9Å; Y60-P62 HydrophobicContact CE1-CG 3.71Å; Y60-S77 WeakPolarHBondContact CE2-OG 3.46Å; Y60-S77 VanDerWaalsContact OH-CB 3.26Å; Y60-S77 WeakPolarHBondContact OH-CB 3.41Å; Y60-S77 PolarHBondContact OH-OG 2.77Å; Y60-R79 HydrophobicContact CD2-CG 4.24Å; Y60-A120 WeakPolarHBondContact O-CA 3.41Å; Y60-S121 PolarHBondContact N-O 2.85Å; Y60-S121 PolarHBondContact O-N 2.69Å
61	F	98.5	Very high	97.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	87.8	-173	-54.1	-86.9	0	0	0	110.5	Y53 F58 S77 I78 F94 L101 A119 A120	Y53-F61 HydrophobicContact CD1-CD1 4.38Å; Y53-F61 AromaticContact CD1-CE1 3.68Å; Y53-F61 HydrophobicContact CD1-CE1 3.68Å; Y53-F61 HydrophobicContact CD1-CZ 4.4Å; Y53-F61 HydrophobicContact CD2-CE1 4.09Å; Y53-F61 AromaticContact CE1-CE1 3.63Å; Y53-F61 HydrophobicContact CE1-CE1 3.63Å; Y53-F61 AromaticContact CE1-CZ 3.91Å; Y53-F61 HydrophobicContact CE1-CZ 3.91Å; Y53-F61 HydrophobicContact CE2-CE1 4.04Å; Y53-F61 HydrophobicContact CE2-CZ 4.05Å; Y53-F61 AromaticContact CG-CE1 3.92Å; Y53-F61 HydrophobicContact CG-CE1 3.92Å; Y53-F61 AromaticContact CZ-CE1 3.82Å; Y53-F61 AromaticContact CZ-CZ 3.72Å; F58-F61 HydrophobicContact CB-CE1 4.02Å; F58-F61 HydrophobicContact CB-CZ 4Å; F58-F61 WeakPolarHBondContact O-CZ 2.99Å; F61-S77 WeakPolarHBondContact O-CA 3.02Å; F61-I78 HydrophobicContact CB-CG2 3.91Å; F61-I78 HydrophobicContact CD2-CG2 4.44Å; F61-I78 PolarHBondContact N-O 2.82Å; F61-I78 PolarHBondContact O-N 2.98Å; F61-I78 VanDerWaalsContact O-N 3.08Å; F61-F94 HydrophobicContact CD1-CE2 4.32Å; F61-F94 HydrophobicContact CD2-CD2 4.07Å; F61-F94 AromaticContact CD2-CE2 3.66Å; F61-F94 HydrophobicContact CD2-CE2 3.66Å; F61-F94 HydrophobicContact CD2-CZ 4.14Å; F61-F94 AromaticContact CE1-CE2 3.99Å; F61-F94 HydrophobicContact CE1-CE2 3.99Å; F61-F94 HydrophobicContact CE2-CD2 4.14Å; F61-F94 HydrophobicContact CE2-CE1 4.35Å; F61-F94 AromaticContact CE2-CE2 3.28Å; F61-F94 HydrophobicContact CE2-CE2 3.28Å; F61-F94 AromaticContact CE2-CZ 3.42Å; F61-F94 HydrophobicContact CE2-CZ 3.42Å; F61-F94 VanDerWaalsContact CE2-CZ 3.42Å; F61-F94 HydrophobicContact CG-CD2 4.45Å; F61-F94 HydrophobicContact CG-CE2 4.16Å; F61-F94 AromaticContact CZ-CE2 3.48Å; F61-F94 HydrophobicContact CZ-CE2 3.48Å; F61-F94 VanDerWaalsContact CZ-CE2 3.48Å; F61-F94 AromaticContact CZ-CZ 3.72Å; F61-F94 HydrophobicContact CZ-CZ 3.72Å; F61-L101 HydrophobicContact CB-CD1 4.24Å; F61-L101 HydrophobicContact CB-CD2 4.03Å; F61-L101 HydrophobicContact CD1-CD2 3.46Å; F61-L101 VanDerWaalsContact CD1-CD2 3.46Å; F61-L101 HydrophobicContact CE1-CD2 4.06Å; F61-L101 HydrophobicContact CG-CD2 3.78Å; F61-A119 WeakPolarHBondContact CA-O 3.36Å; F61-A120 HydrophobicContact CD1-CB 3.63Å; F61-A120 HydrophobicContact CE1-CB 3.69Å
62	P	98.5	Very high	97.6	Very high	4 Å²	4	58 Å²	58	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	146.4	175	33	-33.9	0	0	0	112.4	Y60 Y64 L74 A119	Y60-P62 HydrophobicContact CD1-CG 4.13Å; Y60-P62 HydrophobicContact CE1-CB 3.9Å; Y60-P62 HydrophobicContact CE1-CG 3.71Å; P62-Y64 HydrophobicContact CB-CE2 3.79Å; P62-Y64 HydrophobicContact CG-CE2 3.67Å; P62-L74 HydrophobicContact CB-CD1 3.61Å; P62-A119 WeakPolarHBondContact CD-O 3.32Å; P62-A119 HydrophobicContact CG-CB 4.1Å; P62-A119 PolarHBondContact O-N 2.93Å
63	W	98.8	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.5	162.5	-75.8	86.4	0	0	0	109.6	L49 C51 L75 I76 L101 L103 F117 C118	L49-W63 HydrophobicContact CB-CH2 3.77Å; L49-W63 HydrophobicContact CB-CZ3 3.98Å; L49-W63 HydrophobicContact CD1-CZ3 4.2Å; C51-W63 HydrophobicContact CB-CH2 3.96Å; C51-W63 HydrophobicContact CB-CZ2 3.61Å; W63-L75 WeakPolarHBondContact O-CB 3.27Å; W63-L75 PolarHBondContact O-N 3.34Å; W63-I76 HydrophobicContact CB-CG2 4.22Å; W63-I76 PolarHBondContact N-O 2.85Å; W63-I76 PolarHBondContact O-N 2.71Å; W63-L101 HydrophobicContact CZ2-CD1 4.1Å; W63-L101 VanDerWaalsContact NE1-CD1 3.31Å; W63-L103 HydrophobicContact CB-CD2 4.29Å; W63-L103 HydrophobicContact CD2-CB 3.79Å; W63-L103 HydrophobicContact CD2-CD2 3.86Å; W63-L103 HydrophobicContact CD2-CG 4.38Å; W63-L103 HydrophobicContact CE3-CB 4.13Å; W63-L103 HydrophobicContact CE3-CD2 3.75Å; W63-L103 HydrophobicContact CG-CB 4.28Å; W63-L103 HydrophobicContact CG-CD2 4.11Å; W63-L103 HydrophobicContact CH2-CB 4.12Å; W63-L103 HydrophobicContact CZ2-CB 3.78Å; W63-L103 HydrophobicContact CZ3-CB 4.29Å; W63-L103 HydrophobicContact CZ3-CD2 4.34Å; W63-F117 CarbonylContact C-O 3.48Å; W63-F117 VanDerWaalsContact CA-O 3.28Å; W63-F117 WeakPolarHBondContact CA-O 3.26Å; W63-C118 HydrophobicContact CD2-CB 4.11Å; W63-C118 HydrophobicContact CE3-CB 4.01Å; W63-C118 HydrophobicContact CH2-CB 3.76Å; W63-C118 HydrophobicContact CZ2-CB 3.83Å; W63-C118 HydrophobicContact CZ3-CB 3.84Å
64	Y	98.7	Very high	97.7	Very high	76 Å²	76	62.7 Å²	62.7	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.5	175.7	-59.5	-95.7	0	0	0	110.2	P62 P72 A73 L74 Y116 F117 A119	P62-Y64 HydrophobicContact CB-CE2 3.79Å; P62-Y64 HydrophobicContact CG-CE2 3.67Å; Y64-P72 HydrophobicContact CD1-CB 4.49Å; Y64-A73 CarbonylContact C-O 3.54Å; Y64-A73 WeakPolarHBondContact CA-O 3.28Å; Y64-A73 WeakPolarHBondContact CB-O 3.42Å; Y64-L74 HydrophobicContact CD1-CB 4.32Å; Y64-L74 HydrophobicContact CE1-CB 4.19Å; Y64-L74 HydrophobicContact CE1-CD1 4.17Å; Y64-Y116 CarbonylContact O-C 3.45Å; Y64-Y116 VanDerWaalsContact O-CA 3.3Å; Y64-Y116 WeakPolarHBondContact O-CA 3.34Å; Y64-F117 PolarHBondContact N-O 2.91Å; Y64-F117 PolarHBondContact O-N 2.7Å; Y64-A119 HydrophobicContact CE2-CB 4.3Å
65	Q	98.7	Very high	97.8	Very high	29 Å²	29	60.1 Å²	60.1	14%	0.136	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.3	171.3	-173.5	-177.5	35	0	0	108.7	F67 A73 L75 A114 T115 Y116	Q65-F67 HydrophobicContact CG-CZ 4.38Å; Q65-A73 PolarHBondContact N-O 2.89Å; Q65-A73 PolarHBondContact O-N 2.96Å; Q65-L75 HydrophobicContact CB-CB 4.29Å; Q65-L75 HydrophobicContact CB-CD1 4.5Å; Q65-A114 HydrophobicContact CG-CB 3.55Å; Q65-T115 CarbonylContact C-O 3.54Å; Q65-Y116 HydrophobicContact CB-CD1 4.33Å; Q65-Y116 HydrophobicContact CB-CE1 4.13Å; Q65-Y116 HydrophobicContact CG-CD1 4.39Å; Q65-Y116 HydrophobicContact CG-CE1 3.87Å; Q65-Y116 PolarHBondContact NE2-OH 3.03Å
66	Q	98.8	Very high	98	Very high	54 Å²	54	58.1 Å²	58.1	25%	0.252	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.1	176	-176.6	-179.7	32.3	0	0	109.8	E70 P72 A114 T115 F117	Q66-E70 WeakPolarHBondContact CG-O 3.15Å; Q66-E70 PolarHBondContact NE2-O 3.33Å; Q66-P72 HydrophobicContact CB-CG 4.47Å; Q66-P72 HydrophobicContact CG-CG 4.49Å; Q66-A114 WeakPolarHBondContact O-CB 3.44Å; Q66-T115 PolarHBondContact N-O 3Å; Q66-T115 PolarHBondContact O-N 2.91Å; Q66-F117 HydrophobicContact CB-CD2 4.49Å; Q66-F117 HydrophobicContact CB-CE2 3.77Å; Q66-F117 VanDerWaalsContact OE1-CE2 3.24Å
67	F	98.4	Very high	98.2	Very high	69 Å²	69	55.1 Å²	55.1	30%	0.303	33%	0.331	S	S	.	.			trans	-75.2	154.8	169.9	-66.5	-63.3	0	0	0	111.4	Q65 G69 E70 G111 A114	Q65-F67 HydrophobicContact CG-CZ 4.38Å; F67-G69 PolarHBondContact O-N 2.96Å; F67-E70 HydrophobicContact CB-CB 4.34Å; F67-E70 HydrophobicContact CB-CG 4.24Å; F67-E70 PolarHBondContact O-N 3.05Å; F67-G111 WeakPolarHBondContact CE1-O 3.31Å; F67-A114 HydrophobicContact CD1-CB 3.9Å; F67-A114 HydrophobicContact CE1-CB 3.98Å
68	P	97.8	Very high	98.3	Very high	118 Å²	118	50.6 Å²	50.6	77%	0.766	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	124.6	175.5	-25.9	35.2	0	0	0	112.2	E70	P68-E70 VanDerWaalsContact C-N 3.31Å
69	G	98	Very high	98.4	Very high	91 Å²	91	57.8 Å²	57.8	94%	0.938	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-2.6	179.9	0	0	0	0	0	115.3	F67	F67-G69 PolarHBondContact O-N 2.96Å
70	E	98.1	Very high	98.4	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	31%	0.314	S	S	.	.	S	Bend	trans	-106.1	169.9	178.1	-62.8	-175.3	-156.6	0	0	112.3	Q66 F67 P68	Q66-E70 WeakPolarHBondContact CG-O 3.15Å; Q66-E70 PolarHBondContact NE2-O 3.33Å; F67-E70 HydrophobicContact CB-CB 4.34Å; F67-E70 HydrophobicContact CB-CG 4.24Å; F67-E70 PolarHBondContact O-N 3.05Å; P68-E70 VanDerWaalsContact C-N 3.31Å
71	G	98	Very high	98.3	Very high	49 Å²	49	57.8 Å²	57.8	51%	0.505	34%	0.34	S	S	.	.			trans	-84.7	161.2	169.9	0	0	0	0	0	112.1	A73	G71-A73 PolarHBondContact O-N 2.94Å
72	P	98.4	Very high	98.3	Very high	76 Å²	76	60.3 Å²	60.3	49%	0.494	36%	0.358	S	S	.	.			trans	-62.9	126.4	172.9	-20.2	32.7	0	0	0	111.6	Y64 Q66 F117	Y64-P72 HydrophobicContact CD1-CB 4.49Å; Q66-P72 HydrophobicContact CB-CG 4.47Å; Q66-P72 HydrophobicContact CG-CG 4.49Å; P72-F117 HydrophobicContact CB-CD2 4.43Å; P72-F117 HydrophobicContact CG-CE2 4.28Å
73	A	98.7	Very high	98.3	Very high	57 Å²	57	65.9 Å²	65.9	47%	0.471	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.1	174.6	0	0	0	0	0	110.4	Y64 Q65 G71 L75	Y64-A73 CarbonylContact C-O 3.54Å; Y64-A73 WeakPolarHBondContact CA-O 3.28Å; Y64-A73 WeakPolarHBondContact CB-O 3.42Å; Q65-A73 PolarHBondContact N-O 2.89Å; Q65-A73 PolarHBondContact O-N 2.96Å; G71-A73 PolarHBondContact O-N 2.94Å; A73-L75 PolarHBondContact O-N 3.31Å
74	L	98.7	Very high	98.3	Very high	95 Å²	95	70.1 Å²	70.1	50%	0.497	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	123	177	179.5	68.4	0	0	0	109.4	P62 Y64	P62-L74 HydrophobicContact CB-CD1 3.61Å; Y64-L74 HydrophobicContact CD1-CB 4.32Å; Y64-L74 HydrophobicContact CE1-CB 4.19Å; Y64-L74 HydrophobicContact CE1-CD1 4.17Å
75	L	98.7	Very high	98.3	Very high	32 Å²	32	70.8 Å²	70.8	17%	0.168	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-62.5	177.1	178.2	69.7	0	0	0	110.5	W63 Q65 A73 F90 L103 Y116	W63-L75 WeakPolarHBondContact O-CB 3.27Å; W63-L75 PolarHBondContact O-N 3.34Å; Q65-L75 HydrophobicContact CB-CB 4.29Å; Q65-L75 HydrophobicContact CB-CD1 4.5Å; A73-L75 PolarHBondContact O-N 3.31Å; L75-F90 HydrophobicContact CD1-CD1 4.13Å; L75-F90 HydrophobicContact CD1-CD2 4.11Å; L75-F90 HydrophobicContact CD1-CE1 3.95Å; L75-F90 HydrophobicContact CD1-CE2 3.93Å; L75-F90 HydrophobicContact CD1-CG 4.22Å; L75-F90 HydrophobicContact CD1-CZ 3.85Å; L75-F90 HydrophobicContact CD2-CD1 3.72Å; L75-F90 HydrophobicContact CD2-CE1 3.91Å; L75-F90 HydrophobicContact CD2-CG 4.32Å; L75-F90 HydrophobicContact CG-CD1 4.23Å; L75-F90 HydrophobicContact CG-CE1 4.43Å; L75-F90 HydrophobicContact CG-CG 4.38Å; L75-L103 HydrophobicContact CD2-CD1 4.47Å; L75-L103 HydrophobicContact CD2-CD2 3.89Å; L75-Y116 HydrophobicContact CD2-CD1 4.01Å; L75-Y116 HydrophobicContact CD2-CE1 3.73Å
76	I	98.8	Very high	98.3	Very high	7 Å²	7	74.8 Å²	74.8	4%	0.036	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151.5	-176.6	-172.9	171.3	0	0	0	108.9	W63 K85 D87 F90 I92 L103	W63-I76 HydrophobicContact CB-CG2 4.22Å; W63-I76 PolarHBondContact N-O 2.85Å; W63-I76 PolarHBondContact O-N 2.71Å; I76-K85 HydrophobicContact CD1-CG 4.19Å; I76-K85 HydrophobicContact CG1-CG 4.43Å; I76-D87 HydrophobicContact CD1-CB 3.81Å; I76-D87 HydrophobicContact CG1-CB 4.5Å; I76-F90 HydrophobicContact CD1-CB 4.35Å; I76-F90 HydrophobicContact CG2-CB 4.46Å; I76-I92 HydrophobicContact CB-CD1 4.29Å; I76-I92 HydrophobicContact CD1-CD1 4.44Å; I76-I92 HydrophobicContact CD1-CG1 4.3Å; I76-I92 HydrophobicContact CG1-CD1 3.93Å; I76-I92 HydrophobicContact CG1-CG1 4.31Å; I76-I92 HydrophobicContact CG2-CD1 3.79Å; I76-I92 HydrophobicContact CG2-CG1 3.83Å; I76-L103 HydrophobicContact CG2-CD1 3.88Å
77	S	98.7	Very high	98.3	Very high	17 Å²	17	76.9 Å²	76.9	12%	0.119	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.3	178.3	64	0	0	0	0	112.6	Y60 F61 K85	Y60-S77 WeakPolarHBondContact CE2-OG 3.46Å; Y60-S77 VanDerWaalsContact OH-CB 3.26Å; Y60-S77 WeakPolarHBondContact OH-CB 3.41Å; Y60-S77 PolarHBondContact OH-OG 2.77Å; F61-S77 WeakPolarHBondContact O-CA 3.02Å; S77-K85 WeakPolarHBondContact O-CD 3.27Å; S77-K85 VanDerWaalsContact O-CE 3.25Å; S77-K85 WeakPolarHBondContact O-CE 3.22Å; S77-K85 PolarHBondContact O-NZ 2.82Å
78	I	98.7	Very high	98.3	Very high	2 Å²	2	77.2 Å²	77.2	1%	0.01	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.1	178	-169.3	160.7	0	0	0	110.7	F61 K84 K85 I92 F94	F61-I78 HydrophobicContact CB-CG2 3.91Å; F61-I78 HydrophobicContact CD2-CG2 4.44Å; F61-I78 PolarHBondContact N-O 2.82Å; F61-I78 PolarHBondContact O-N 2.98Å; F61-I78 VanDerWaalsContact O-N 3.08Å; I78-K84 VanDerWaalsContact CD1-C 3.49Å; I78-K85 HydrophobicContact CB-CB 4.41Å; I78-K85 HydrophobicContact CD1-CB 4.01Å; I78-K85 HydrophobicContact CG1-CB 4.28Å; I78-I92 HydrophobicContact CB-CB 4.45Å; I78-I92 HydrophobicContact CB-CD1 4Å; I78-I92 HydrophobicContact CB-CG2 4.27Å; I78-I92 HydrophobicContact CD1-CG2 4.41Å; I78-I92 HydrophobicContact CG2-CB 4.32Å; I78-I92 HydrophobicContact CG2-CD1 3.98Å; I78-I92 HydrophobicContact CG2-CG2 3.64Å; I78-F94 HydrophobicContact CD1-CB 3.95Å; I78-F94 HydrophobicContact CG2-CB 4.32Å
79	R	98.5	Very high	98.3	Very high	172 Å²	172	74 Å²	74	65%	0.649	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.9	170.7	-72.4	-170.2	174.6	114.7	0.2	110.2	N59 Y60 V81 S82	N59-R79 CarbonylContact O-C 3.52Å; N59-R79 VanDerWaalsContact O-CA 3.27Å; N59-R79 WeakPolarHBondContact O-CA 3.34Å; Y60-R79 HydrophobicContact CD2-CG 4.24Å; R79-V81 HydrophobicContact CB-CG2 4.04Å; R79-V81 PolarHBondContact O-N 2.91Å; R79-S82 PolarHBondContact O-N 2.8Å
80	S	96.7	Very high	98.3	Very high	20 Å²	20	71.2 Å²	71.2	14%	0.14	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.3	-176.7	69.1	0	0	0	0	116.3	N59 S82	N59-S80 PolarHBondContact O-N 2.82Å; S80-S82 VanDerWaalsContact C-N 3.33Å
81	V	96.9	Very high	98.4	Very high	128 Å²	128	66.2 Å²	66.2	78%	0.776	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12	174.4	-62.3	0	0	0	0	112.8	R79	R79-V81 HydrophobicContact CB-CG2 4.04Å; R79-V81 PolarHBondContact O-N 2.91Å
82	S	98.4	Very high	98.4	Very high	54 Å²	54	63.9 Å²	63.9	38%	0.378	35%	0.353	S	S	.	.			trans	-116.8	145.8	178.8	-56.6	0	0	0	0	109.5	R79 S80 F94	R79-S82 PolarHBondContact O-N 2.8Å; S80-S82 VanDerWaalsContact C-N 3.33Å; S82-F94 VanDerWaalsContact O-CD1 3.31Å; S82-F94 WeakPolarHBondContact O-CD1 3.22Å
83	D	98.3	Very high	98.4	Very high	120 Å²	120	64.4 Å²	64.4	64%	0.642	35%	0.347	S	S	*	.	S	Bend	trans	-100.3	-16.3	177.3	60.1	-8.9	0	0	0	112.8	F93 F94	D83-F93 CarbonylContact O-C 3.52Å; D83-F93 WeakPolarHBondContact O-CA 3.39Å; D83-F94 PolarHBondContact O-N 3.39Å
84	K	98.7	Very high	98.4	Very high	90 Å²	90	62.4 Å²	62.4	39%	0.391	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.6	178.3	-168	-179	70.4	154.1	0	111.6	I78 E86 T91 I92 F93	I78-K84 VanDerWaalsContact CD1-C 3.49Å; K84-E86 HydrophobicContact CD-CG 4.34Å; K84-E86 WeakPolarHBondContact CD-OE1 3.31Å; K84-E86 VanDerWaalsContact CE-OE1 3.31Å; K84-E86 WeakPolarHBondContact CE-OE1 3.41Å; K84-E86 HydrophobicContact CG-CG 4.38Å; K84-E86 VanDerWaalsContact NZ-CD 3.3Å; K84-E86 IonicContact NZ-OE1 2.7Å; K84-E86 PolarHBondContact NZ-OE1 2.03Å; K84-E86 IonicContact NZ-OE2 3.41Å; K84-E86 PolarHBondContact NZ-OE2 3.14Å; K84-T91 HydrophobicContact CD-CG2 4.37Å; K84-T91 HydrophobicContact CG-CG2 4.01Å; K84-I92 CarbonylContact C-O 3.46Å; K84-I92 VanDerWaalsContact CA-O 3.28Å; K84-I92 WeakPolarHBondContact CA-O 3.05Å; K84-F93 HydrophobicContact CD-CD1 4.31Å; K84-F93 HydrophobicContact CD-CE1 3.67Å; K84-F93 HydrophobicContact CD-CZ 4.25Å; K84-F93 HydrophobicContact CG-CD1 4.09Å; K84-F93 HydrophobicContact CG-CE1 3.92Å
85	K	98.8	Very high	98.4	Very high	89 Å²	89	60.7 Å²	60.7	39%	0.387	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	134.3	164.9	178.9	160.7	157.2	-170.8	0	110.7	I76 S77 I78 T91 I92	I76-K85 HydrophobicContact CD1-CG 4.19Å; I76-K85 HydrophobicContact CG1-CG 4.43Å; S77-K85 WeakPolarHBondContact O-CD 3.27Å; S77-K85 VanDerWaalsContact O-CE 3.25Å; S77-K85 WeakPolarHBondContact O-CE 3.22Å; S77-K85 PolarHBondContact O-NZ 2.82Å; I78-K85 HydrophobicContact CB-CB 4.41Å; I78-K85 HydrophobicContact CD1-CB 4.01Å; I78-K85 HydrophobicContact CG1-CB 4.28Å; K85-T91 CarbonylContact O-C 3.58Å; K85-T91 WeakPolarHBondContact O-CA 3.46Å; K85-I92 PolarHBondContact N-O 2.87Å; K85-I92 PolarHBondContact O-N 2.81Å
86	E	98.6	Very high	98.3	Very high	113 Å²	113	64.7 Å²	64.7	53%	0.528	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.5	-176.4	-66.9	172	169.1	0	0	109.5	K84 F90 T91	K84-E86 HydrophobicContact CD-CG 4.34Å; K84-E86 WeakPolarHBondContact CD-OE1 3.31Å; K84-E86 VanDerWaalsContact CE-OE1 3.31Å; K84-E86 WeakPolarHBondContact CE-OE1 3.41Å; K84-E86 HydrophobicContact CG-CG 4.38Å; K84-E86 VanDerWaalsContact NZ-CD 3.3Å; K84-E86 IonicContact NZ-OE1 2.7Å; K84-E86 PolarHBondContact NZ-OE1 2.03Å; K84-E86 IonicContact NZ-OE2 3.41Å; K84-E86 PolarHBondContact NZ-OE2 3.14Å; E86-F90 CarbonylContact C-O 3.5Å; E86-F90 WeakPolarHBondContact CA-O 3.42Å; E86-T91 HydrophobicContact CG-CG2 3.65Å
87	D	98.3	Very high	98.2	Very high	99 Å²	99	75.7 Å²	75.7	53%	0.529	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	102.1	170.3	-171.9	5.5	0	0	0	109.2	I76 R89 F90	I76-D87 HydrophobicContact CD1-CB 3.81Å; I76-D87 HydrophobicContact CG1-CB 4.5Å; D87-R89 PolarHBondContact O-N 2.88Å; D87-R89 VanDerWaalsContact O-N 3.16Å; D87-F90 PolarHBondContact N-O 3Å; D87-F90 WeakPolarHBondContact O-CB 3.35Å; D87-F90 PolarHBondContact O-N 2.84Å
88	G	98	Very high	98.2	Very high	76 Å²	76	80.1 Å²	80.1	78%	0.784	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-118.6	-173.7	0	0	0	0	0	112.2	F90	G88-F90 VanDerWaalsContact C-N 3.32Å
89	R	98.3	Very high	98.1	Very high	50 Å²	50	83.5 Å²	83.5	19%	0.189	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.8	178.7	-65.1	-171.7	-57.8	106.7	-1.5	113.7	D87 I105 T106 D107 D112	D87-R89 PolarHBondContact O-N 2.88Å; D87-R89 VanDerWaalsContact O-N 3.16Å; R89-I105 WeakPolarHBondContact O-CA 3.41Å; R89-T106 WeakPolarHBondContact CB-O 3.31Å; R89-T106 WeakPolarHBondContact CD-O 3.47Å; R89-T106 PolarHBondContact NH1-O 3.22Å; R89-T106 PolarHBondContact O-N 2.79Å; R89-T106 PolarHBondContact O-OG1 2.91Å; R89-D107 PolarHBondContact NH1-O 3.41Å; R89-D112 IonicContact CZ-OD1 2.84Å; R89-D112 IonicContact CZ-OD2 2.74Å; R89-D112 IonicContact NH1-OD1 2.71Å; R89-D112 IonicContact NH1-OD2 3.54Å; R89-D112 PolarHBondContact NH1-OD2 2.9Å; R89-D112 VanDerWaalsContact NH2-CG 3.28Å; R89-D112 IonicContact NH2-OD1 3.47Å; R89-D112 PolarHBondContact NH2-OD1 3.5Å; R89-D112 IonicContact NH2-OD2 3.68Å; R89-D112 PolarHBondContact NH2-OD2 2.86Å
90	F	98.8	Very high	98.1	Very high	32 Å²	32	80.4 Å²	80.4	14%	0.14	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.7	-176.3	-57.4	-78.8	0	0	0	111	L75 I76 E86 D87 G88 L103 H104 I105	L75-F90 HydrophobicContact CD1-CD1 4.13Å; L75-F90 HydrophobicContact CD1-CD2 4.11Å; L75-F90 HydrophobicContact CD1-CE1 3.95Å; L75-F90 HydrophobicContact CD1-CE2 3.93Å; L75-F90 HydrophobicContact CD1-CG 4.22Å; L75-F90 HydrophobicContact CD1-CZ 3.85Å; L75-F90 HydrophobicContact CD2-CD1 3.72Å; L75-F90 HydrophobicContact CD2-CE1 3.91Å; L75-F90 HydrophobicContact CD2-CG 4.32Å; L75-F90 HydrophobicContact CG-CD1 4.23Å; L75-F90 HydrophobicContact CG-CE1 4.43Å; L75-F90 HydrophobicContact CG-CG 4.38Å; I76-F90 HydrophobicContact CD1-CB 4.35Å; I76-F90 HydrophobicContact CG2-CB 4.46Å; E86-F90 CarbonylContact C-O 3.5Å; E86-F90 WeakPolarHBondContact CA-O 3.42Å; D87-F90 PolarHBondContact N-O 3Å; D87-F90 WeakPolarHBondContact O-CB 3.35Å; D87-F90 PolarHBondContact O-N 2.84Å; G88-F90 VanDerWaalsContact C-N 3.32Å; F90-L103 HydrophobicContact CB-CD1 4.41Å; F90-L103 HydrophobicContact CD1-CD1 4.48Å; F90-H104 CarbonylContact C-O 3.51Å; F90-H104 WeakPolarHBondContact CA-O 3.49Å; F90-I105 HydrophobicContact CD1-CB 4.43Å; F90-I105 HydrophobicContact CD1-CD1 4.39Å; F90-I105 HydrophobicContact CD1-CG1 3.85Å; F90-I105 HydrophobicContact CD1-CG2 4.16Å; F90-I105 HydrophobicContact CE1-CB 4.38Å; F90-I105 HydrophobicContact CE1-CD1 4.03Å; F90-I105 HydrophobicContact CE1-CG1 3.91Å; F90-I105 HydrophobicContact CE1-CG2 3.75Å; F90-I105 HydrophobicContact CZ-CG2 4.44Å
91	T	98.9	Very high	98.2	Very high	13 Å²	13	79.8 Å²	79.8	8%	0.08	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127	175.4	-54.4	0	0	0	0	110.6	K84 K85 E86 F93 L103 H104	K84-T91 HydrophobicContact CD-CG2 4.37Å; K84-T91 HydrophobicContact CG-CG2 4.01Å; K85-T91 CarbonylContact O-C 3.58Å; K85-T91 WeakPolarHBondContact O-CA 3.46Å; E86-T91 HydrophobicContact CG-CG2 3.65Å; T91-F93 HydrophobicContact CG2-CD2 4Å; T91-F93 HydrophobicContact CG2-CE1 4.35Å; T91-F93 HydrophobicContact CG2-CE2 3.49Å; T91-F93 VanDerWaalsContact CG2-CE2 3.49Å; T91-F93 HydrophobicContact CG2-CZ 3.69Å; T91-L103 CarbonylContact O-C 3.57Å; T91-L103 WeakPolarHBondContact O-CA 3.42Å; T91-H104 PolarHBondContact N-O 2.99Å; T91-H104 PolarHBondContact O-N 3.16Å
92	I	98.9	Very high	98.3	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.2	165.4	-55.4	168.9	0	0	0	108.9	I76 I78 K84 K85 L101 S102 L103	I76-I92 HydrophobicContact CB-CD1 4.29Å; I76-I92 HydrophobicContact CD1-CD1 4.44Å; I76-I92 HydrophobicContact CD1-CG1 4.3Å; I76-I92 HydrophobicContact CG1-CD1 3.93Å; I76-I92 HydrophobicContact CG1-CG1 4.31Å; I76-I92 HydrophobicContact CG2-CD1 3.79Å; I76-I92 HydrophobicContact CG2-CG1 3.83Å; I78-I92 HydrophobicContact CB-CB 4.45Å; I78-I92 HydrophobicContact CB-CD1 4Å; I78-I92 HydrophobicContact CB-CG2 4.27Å; I78-I92 HydrophobicContact CD1-CG2 4.41Å; I78-I92 HydrophobicContact CG2-CB 4.32Å; I78-I92 HydrophobicContact CG2-CD1 3.98Å; I78-I92 HydrophobicContact CG2-CG2 3.64Å; K84-I92 CarbonylContact C-O 3.46Å; K84-I92 VanDerWaalsContact CA-O 3.28Å; K84-I92 WeakPolarHBondContact CA-O 3.05Å; K85-I92 PolarHBondContact N-O 2.87Å; K85-I92 PolarHBondContact O-N 2.81Å; I92-L101 HydrophobicContact CG2-CB 4.29Å; I92-S102 CarbonylContact C-O 3.6Å; I92-S102 VanDerWaalsContact CA-O 3.27Å; I92-S102 WeakPolarHBondContact CA-O 3.45Å; I92-L103 HydrophobicContact CG1-CD1 4.33Å
93	F	98.8	Very high	98.3	Very high	87 Å²	87	71.9 Å²	71.9	38%	0.382	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.6	160.6	-64.6	-85	0	0	0	109.5	D83 K84 T91 L101 S102 H104	D83-F93 CarbonylContact O-C 3.52Å; D83-F93 WeakPolarHBondContact O-CA 3.39Å; K84-F93 HydrophobicContact CD-CD1 4.31Å; K84-F93 HydrophobicContact CD-CE1 3.67Å; K84-F93 HydrophobicContact CD-CZ 4.25Å; K84-F93 HydrophobicContact CG-CD1 4.09Å; K84-F93 HydrophobicContact CG-CE1 3.92Å; T91-F93 HydrophobicContact CG2-CD2 4Å; T91-F93 HydrophobicContact CG2-CE1 4.35Å; T91-F93 HydrophobicContact CG2-CE2 3.49Å; T91-F93 VanDerWaalsContact CG2-CE2 3.49Å; T91-F93 HydrophobicContact CG2-CZ 3.69Å; F93-L101 CarbonylContact O-C 3.58Å; F93-L101 WeakPolarHBondContact O-CA 3.43Å; F93-L101 WeakPolarHBondContact O-CB 3.27Å; F93-S102 PolarHBondContact N-O 2.83Å; F93-S102 PolarHBondContact O-N 2.82Å; F93-H104 AromaticContact CD2-CD2 3.63Å; F93-H104 AromaticContact CD2-NE2 3.67Å; F93-H104 AromaticContact CE2-CD2 3.96Å; F93-H104 AromaticContact CE2-CG 3.92Å; F93-H104 AromaticContact CE2-ND1 3.94Å
94	F	98.7	Very high	98.3	Very high	14 Å²	14	68 Å²	68	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.8	-177.8	176.8	-105.7	0	0	0	110.9	Y53 F61 I78 S82 D83 K96 L101	Y53-F94 AromaticContact CE1-CE2 3.73Å; Y53-F94 HydrophobicContact CE1-CE2 3.73Å; Y53-F94 HydrophobicContact CE1-CZ 4.34Å; Y53-F94 WeakPolarHBondContact OH-CZ 3.37Å; F61-F94 HydrophobicContact CD1-CE2 4.32Å; F61-F94 HydrophobicContact CD2-CD2 4.07Å; F61-F94 AromaticContact CD2-CE2 3.66Å; F61-F94 HydrophobicContact CD2-CE2 3.66Å; F61-F94 HydrophobicContact CD2-CZ 4.14Å; F61-F94 AromaticContact CE1-CE2 3.99Å; F61-F94 HydrophobicContact CE1-CE2 3.99Å; F61-F94 HydrophobicContact CE2-CD2 4.14Å; F61-F94 HydrophobicContact CE2-CE1 4.35Å; F61-F94 AromaticContact CE2-CE2 3.28Å; F61-F94 HydrophobicContact CE2-CE2 3.28Å; F61-F94 AromaticContact CE2-CZ 3.42Å; F61-F94 HydrophobicContact CE2-CZ 3.42Å; F61-F94 VanDerWaalsContact CE2-CZ 3.42Å; F61-F94 HydrophobicContact CG-CD2 4.45Å; F61-F94 HydrophobicContact CG-CE2 4.16Å; F61-F94 AromaticContact CZ-CE2 3.48Å; F61-F94 HydrophobicContact CZ-CE2 3.48Å; F61-F94 VanDerWaalsContact CZ-CE2 3.48Å; F61-F94 AromaticContact CZ-CZ 3.72Å; F61-F94 HydrophobicContact CZ-CZ 3.72Å; I78-F94 HydrophobicContact CD1-CB 3.95Å; I78-F94 HydrophobicContact CG2-CB 4.32Å; S82-F94 VanDerWaalsContact O-CD1 3.31Å; S82-F94 WeakPolarHBondContact O-CD1 3.22Å; D83-F94 PolarHBondContact O-N 3.39Å; F94-K96 HydrophobicContact CD1-CB 4.4Å; F94-K96 HydrophobicContact CE1-CB 3.55Å; F94-K96 HydrophobicContact CE1-CD 4.4Å; F94-K96 HydrophobicContact CE1-CG 4.05Å; F94-K96 HydrophobicContact CZ-CB 3.92Å; F94-K96 HydrophobicContact CZ-CG 4.11Å; F94-L101 HydrophobicContact CD2-CB 4.1Å; F94-L101 HydrophobicContact CD2-CD2 3.69Å; F94-L101 HydrophobicContact CE2-CD2 3.92Å
95	N	98.2	Very high	98.3	Very high	59 Å²	59	64 Å²	64	32%	0.316	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	97.3	174.7	-175.2	-29.1	0	0	0	109.6	R97 E98 K99 K100	N95-R97 VanDerWaalsContact C-N 3.3Å; N95-R97 PolarHBondContact O-N 2.89Å; N95-R97 PolarHBondContact OD1-N 3.27Å; N95-R97 VanDerWaalsContact OD1-N 3.13Å; N95-E98 HydrophobicContact CB-CB 4.33Å; N95-E98 PolarHBondContact ND2-OE1 3.26Å; N95-E98 PolarHBondContact O-N 3Å; N95-E98 PolarHBondContact OD1-N 3.28Å; N95-K99 PolarHBondContact O-N 3.44Å; N95-K100 PolarHBondContact N-O 2.85Å; N95-K100 PolarHBondContact O-N 2.93Å; N95-K100 VanDerWaalsContact O-N 3.09Å
96	K	96.7	Very high	98.3	Very high	117 Å²	117	62.3 Å²	62.3	51%	0.509	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-37.7	-179.8	-165.9	169.9	-177.4	167	0	113.2	F94 K99	F94-K96 HydrophobicContact CD1-CB 4.4Å; F94-K96 HydrophobicContact CE1-CB 3.55Å; F94-K96 HydrophobicContact CE1-CD 4.4Å; F94-K96 HydrophobicContact CE1-CG 4.05Å; F94-K96 HydrophobicContact CZ-CB 3.92Å; F94-K96 HydrophobicContact CZ-CG 4.11Å; K96-K99 PolarHBondContact O-N 3.09Å
97	R	96.6	Very high	98.3	Very high	238 Å²	238	61.1 Å²	61.1	90%	0.898	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-40.9	-176.5	-179.2	-179.1	-73.8	-138.1	0	110.8	N95 K99	N95-R97 VanDerWaalsContact C-N 3.3Å; N95-R97 PolarHBondContact O-N 2.89Å; N95-R97 PolarHBondContact OD1-N 3.27Å; N95-R97 VanDerWaalsContact OD1-N 3.13Å; R97-K99 VanDerWaalsContact C-N 3.32Å
98	E	97.9	Very high	98.3	Very high	109 Å²	109	56.6 Å²	56.6	51%	0.509	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.9	178.6	-67.2	179.9	-146.5	0	0	113.5	N95 K100	N95-E98 HydrophobicContact CB-CB 4.33Å; N95-E98 PolarHBondContact ND2-OE1 3.26Å; N95-E98 PolarHBondContact O-N 3Å; N95-E98 PolarHBondContact OD1-N 3.28Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 HydrophobicContact CB-CB 4.34Å; E98-K100 HydrophobicContact CB-CD 4.15Å; E98-K100 HydrophobicContact CB-CG 4.26Å; E98-K100 PolarHBondContact O-N 2.9Å; E98-K100 IonicContact OE2-NZ 3.65Å
99	K	97.6	Very high	98.3	Very high	73 Å²	73	57 Å²	57	32%	0.317	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	46.2	-171.6	-55.2	-177.9	179.6	-178.9	0	112.4	S52 Y53 E54 N95 K96 R97	S52-K99 VanDerWaalsContact CA-O 3.27Å; S52-K99 WeakPolarHBondContact CA-O 3.45Å; Y53-K99 HydrophobicContact CD1-CB 4.03Å; Y53-K99 VanDerWaalsContact CD1-O 3.27Å; Y53-K99 WeakPolarHBondContact CD1-O 3.49Å; Y53-K99 HydrophobicContact CD2-CB 4.27Å; Y53-K99 HydrophobicContact CE1-CB 3.74Å; Y53-K99 HydrophobicContact CE2-CB 4.01Å; Y53-K99 HydrophobicContact CE2-CD 4.38Å; Y53-K99 HydrophobicContact CE2-CG 4.08Å; Y53-K99 HydrophobicContact CG-CB 4.28Å; Y53-K99 PolarHBondContact N-O 2.83Å; Y53-K99 VanDerWaalsContact O-CB 3.22Å; Y53-K99 WeakPolarHBondContact O-CB 3.12Å; Y53-K99 WeakPolarHBondContact O-CD 3.16Å; E54-K99 PolarHBondContact O-NZ 2.8Å; N95-K99 PolarHBondContact O-N 3.44Å; K96-K99 PolarHBondContact O-N 3.09Å; R97-K99 VanDerWaalsContact C-N 3.32Å
100	K	98.4	Very high	98.3	Very high	108 Å²	108	59 Å²	59	47%	0.47	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.4	-178	-71.8	176.4	-171.5	170.6	0	111.2	C51 N95 E98	C51-K100 CarbonylContact O-C 3.57Å; C51-K100 VanDerWaalsContact O-CA 3.31Å; C51-K100 WeakPolarHBondContact O-CA 3.43Å; N95-K100 PolarHBondContact N-O 2.85Å; N95-K100 PolarHBondContact O-N 2.93Å; N95-K100 VanDerWaalsContact O-N 3.09Å; E98-K100 VanDerWaalsContact C-N 3.28Å; E98-K100 HydrophobicContact CB-CB 4.34Å; E98-K100 HydrophobicContact CB-CD 4.15Å; E98-K100 HydrophobicContact CB-CG 4.26Å; E98-K100 PolarHBondContact O-N 2.9Å; E98-K100 IonicContact OE2-NZ 3.65Å
101	L	98.3	Very high	98.3	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.9	166.2	39.6	129.8	0	0	0	110.3	C51 Y53 F61 W63 I92 F93 F94 C118	C51-L101 HydrophobicContact CB-CD1 3.86Å; C51-L101 HydrophobicContact CB-CG 3.96Å; C51-L101 PolarHBondContact N-O 2.92Å; C51-L101 PolarHBondContact O-N 2.79Å; Y53-L101 HydrophobicContact CD1-CD2 4.03Å; Y53-L101 HydrophobicContact CE1-CD2 4.17Å; F61-L101 HydrophobicContact CB-CD1 4.24Å; F61-L101 HydrophobicContact CB-CD2 4.03Å; F61-L101 HydrophobicContact CD1-CD2 3.46Å; F61-L101 VanDerWaalsContact CD1-CD2 3.46Å; F61-L101 HydrophobicContact CE1-CD2 4.06Å; F61-L101 HydrophobicContact CG-CD2 3.78Å; W63-L101 HydrophobicContact CZ2-CD1 4.1Å; W63-L101 VanDerWaalsContact NE1-CD1 3.31Å; I92-L101 HydrophobicContact CG2-CB 4.29Å; F93-L101 CarbonylContact O-C 3.58Å; F93-L101 WeakPolarHBondContact O-CA 3.43Å; F93-L101 WeakPolarHBondContact O-CB 3.27Å; F94-L101 HydrophobicContact CD2-CB 4.1Å; F94-L101 HydrophobicContact CD2-CD2 3.69Å; F94-L101 HydrophobicContact CE2-CD2 3.92Å; L101-C118 VanDerWaalsContact CD1-SG 3.52Å
102	S	98.8	Very high	98.3	Very high	16 Å²	16	60.2 Å²	60.2	11%	0.112	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142	172.5	59.7	0	0	0	0	110.6	L49 I92 F93 H104	L49-S102 CarbonylContact O-C 3.6Å; L49-S102 WeakPolarHBondContact O-CA 3.35Å; I92-S102 CarbonylContact C-O 3.6Å; I92-S102 VanDerWaalsContact CA-O 3.27Å; I92-S102 WeakPolarHBondContact CA-O 3.45Å; F93-S102 PolarHBondContact N-O 2.83Å; F93-S102 PolarHBondContact O-N 2.82Å; S102-H104 PolarHBondContact OG-CD2 3.48Å; S102-H104 VanDerWaalsContact OG-CD2 3.28Å; S102-H104 PolarHBondContact OG-NE2 3.08Å
103	L	98.9	Very high	98.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.6	166.6	175	66.2	0	0	0	108	I48 L49 W63 L75 I76 F90 T91 I92 I105 Y116	I48-L103 WeakPolarHBondContact CA-O 3.41Å; L49-L103 HydrophobicContact CB-CB 4.44Å; L49-L103 HydrophobicContact CD1-CD2 4.43Å; L49-L103 PolarHBondContact N-O 2.93Å; L49-L103 PolarHBondContact O-N 2.94Å; W63-L103 HydrophobicContact CB-CD2 4.29Å; W63-L103 HydrophobicContact CD2-CB 3.79Å; W63-L103 HydrophobicContact CD2-CD2 3.86Å; W63-L103 HydrophobicContact CD2-CG 4.38Å; W63-L103 HydrophobicContact CE3-CB 4.13Å; W63-L103 HydrophobicContact CE3-CD2 3.75Å; W63-L103 HydrophobicContact CG-CB 4.28Å; W63-L103 HydrophobicContact CG-CD2 4.11Å; W63-L103 HydrophobicContact CH2-CB 4.12Å; W63-L103 HydrophobicContact CZ2-CB 3.78Å; W63-L103 HydrophobicContact CZ3-CB 4.29Å; W63-L103 HydrophobicContact CZ3-CD2 4.34Å; L75-L103 HydrophobicContact CD2-CD1 4.47Å; L75-L103 HydrophobicContact CD2-CD2 3.89Å; I76-L103 HydrophobicContact CG2-CD1 3.88Å; F90-L103 HydrophobicContact CB-CD1 4.41Å; F90-L103 HydrophobicContact CD1-CD1 4.48Å; T91-L103 CarbonylContact O-C 3.57Å; T91-L103 WeakPolarHBondContact O-CA 3.42Å; I92-L103 HydrophobicContact CG1-CD1 4.33Å; L103-I105 HydrophobicContact CD2-CD1 4.48Å; L103-I105 HydrophobicContact CD2-CG1 4.48Å; L103-I105 HydrophobicContact CG-CG1 4.28Å; L103-Y116 HydrophobicContact CD2-CD1 3.87Å; L103-Y116 HydrophobicContact CD2-CE1 4.32Å
104	H	98.9	Very high	98.2	Very high	40 Å²	40	61.7 Å²	61.7	19%	0.185	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.2	174.4	-70.2	-133.9	0	0	0	108.3	T46 A47 F90 T91 F93 S102	T46-H104 HydrophobicContact CG2-CB 4.33Å; A47-H104 WeakPolarHBondContact O-CA 3.43Å; F90-H104 CarbonylContact C-O 3.51Å; F90-H104 WeakPolarHBondContact CA-O 3.49Å; T91-H104 PolarHBondContact N-O 2.99Å; T91-H104 PolarHBondContact O-N 3.16Å; F93-H104 AromaticContact CD2-CD2 3.63Å; F93-H104 AromaticContact CD2-NE2 3.67Å; F93-H104 AromaticContact CE2-CD2 3.96Å; F93-H104 AromaticContact CE2-CG 3.92Å; F93-H104 AromaticContact CE2-ND1 3.94Å; S102-H104 PolarHBondContact OG-CD2 3.48Å; S102-H104 VanDerWaalsContact OG-CD2 3.28Å; S102-H104 PolarHBondContact OG-NE2 3.08Å
105	I	98.8	Very high	98.2	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102	174.4	-48.1	176.7	0	0	0	105.6	T46 A47 R89 F90 L103 S108 Y116	T46-I105 CarbonylContact C-O 3.55Å; T46-I105 VanDerWaalsContact CA-O 3.28Å; T46-I105 WeakPolarHBondContact CA-O 3.45Å; A47-I105 HydrophobicContact CB-CB 4.25Å; A47-I105 PolarHBondContact N-O 2.83Å; A47-I105 PolarHBondContact O-N 2.83Å; R89-I105 WeakPolarHBondContact O-CA 3.41Å; F90-I105 HydrophobicContact CD1-CB 4.43Å; F90-I105 HydrophobicContact CD1-CD1 4.39Å; F90-I105 HydrophobicContact CD1-CG1 3.85Å; F90-I105 HydrophobicContact CD1-CG2 4.16Å; F90-I105 HydrophobicContact CE1-CB 4.38Å; F90-I105 HydrophobicContact CE1-CD1 4.03Å; F90-I105 HydrophobicContact CE1-CG1 3.91Å; F90-I105 HydrophobicContact CE1-CG2 3.75Å; F90-I105 HydrophobicContact CZ-CG2 4.44Å; L103-I105 HydrophobicContact CD2-CD1 4.48Å; L103-I105 HydrophobicContact CD2-CG1 4.48Å; L103-I105 HydrophobicContact CG-CG1 4.28Å; I105-S108 PolarHBondContact O-OG 3.39Å; I105-Y116 HydrophobicContact CD1-CD1 4.5Å; I105-Y116 HydrophobicContact CD1-CE1 3.76Å; I105-Y116 HydrophobicContact CD1-CE2 4.13Å
106	T	98.6	Very high	98.2	Very high	55 Å²	55	63.1 Å²	63.1	34%	0.337	33%	0.33	S	S	.	.			trans	-83.8	159	179.4	57.6	0	0	0	0	110.6	T46 R89 S108	T46-T106 HydrophobicContact CG2-CG2 4.14Å; R89-T106 WeakPolarHBondContact CB-O 3.31Å; R89-T106 WeakPolarHBondContact CD-O 3.47Å; R89-T106 PolarHBondContact NH1-O 3.22Å; R89-T106 PolarHBondContact O-N 2.79Å; R89-T106 PolarHBondContact O-OG1 2.91Å; T106-S108 VanDerWaalsContact C-N 3.32Å; T106-S108 PolarHBondContact O-N 3.33Å
107	D	98.4	Very high	98.3	Very high	87 Å²	87	61.2 Å²	61.2	47%	0.465	32%	0.322	S	S	.	.	S	Bend	trans	48.6	56.2	180	179.4	52.5	0	0	0	110.7	R89 Q109	R89-D107 PolarHBondContact NH1-O 3.41Å; D107-Q109 WeakPolarHBondContact O-CG 3.44Å; D107-Q109 PolarHBondContact O-N 3.13Å; D107-Q109 PolarHBondContact OD2-NE2 2.7Å
108	S	98.7	Very high	98.4	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.035	28%	0.283	C	S	.	.			trans	-59	136.1	-172.2	-62.6	0	0	0	0	110.9	E43 G44 E45 I105 T106	E43-S108 CarbonylContact C-O 3.49Å; E43-S108 VanDerWaalsContact CA-O 3.28Å; E43-S108 WeakPolarHBondContact CA-O 3.47Å; E43-S108 WeakPolarHBondContact CG-O 3.28Å; G44-S108 PolarHBondContact N-O 3.39Å; E45-S108 VanDerWaalsContact O-CB 3.25Å; E45-S108 WeakPolarHBondContact O-CB 3.28Å; E45-S108 PolarHBondContact O-N 3.02Å; E45-S108 PolarHBondContact O-OG 2.97Å; I105-S108 PolarHBondContact O-OG 3.39Å; T106-S108 VanDerWaalsContact C-N 3.32Å; T106-S108 PolarHBondContact O-N 3.33Å
109	Q	98.4	Very high	98.4	Very high	85 Å²	85	46.8 Å²	46.8	40%	0.397	27%	0.272	S	S	.	.			trans	-120.8	155.4	-177.6	-65	170.5	20	0	0	109.9	D107 G111 D112	D107-Q109 WeakPolarHBondContact O-CG 3.44Å; D107-Q109 PolarHBondContact O-N 3.13Å; D107-Q109 PolarHBondContact OD2-NE2 2.7Å; Q109-G111 PolarHBondContact O-N 2.97Å; Q109-D112 PolarHBondContact N-OD2 3.37Å; Q109-D112 WeakPolarHBondContact O-CB 3.14Å; Q109-D112 PolarHBondContact O-N 2.74Å
110	P	97.9	Very high	98.4	Very high	90 Å²	90	44.2 Å²	44.2	58%	0.584	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-52.7	-32.4	174.7	-28.9	36	0	0	0	113.5	D112 S113	P110-D112 PolarHBondContact O-N 2.78Å; P110-S113 WeakPolarHBondContact O-CB 3.24Å; P110-S113 PolarHBondContact O-N 2.82Å; P110-S113 PolarHBondContact O-OG 3.43Å
111	G	97.7	Very high	98.2	Very high	51 Å²	51	43.1 Å²	43.1	53%	0.526	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-67.3	-9.6	175.5	0	0	0	0	0	115.6	F67 Q109 S113	F67-G111 WeakPolarHBondContact CE1-O 3.31Å; Q109-G111 PolarHBondContact O-N 2.97Å; G111-S113 VanDerWaalsContact C-N 3.26Å
112	D	98.3	Very high	98.2	Very high	21 Å²	21	45 Å²	45	11%	0.112	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-83.4	-2.8	173.1	-61.2	-39.8	0	0	0	112.7	R89 Q109 P110 A114 Y116	R89-D112 IonicContact CZ-OD1 2.84Å; R89-D112 IonicContact CZ-OD2 2.74Å; R89-D112 IonicContact NH1-OD1 2.71Å; R89-D112 IonicContact NH1-OD2 3.54Å; R89-D112 PolarHBondContact NH1-OD2 2.9Å; R89-D112 VanDerWaalsContact NH2-CG 3.28Å; R89-D112 IonicContact NH2-OD1 3.47Å; R89-D112 PolarHBondContact NH2-OD1 3.5Å; R89-D112 IonicContact NH2-OD2 3.68Å; R89-D112 PolarHBondContact NH2-OD2 2.86Å; Q109-D112 PolarHBondContact N-OD2 3.37Å; Q109-D112 WeakPolarHBondContact O-CB 3.14Å; Q109-D112 PolarHBondContact O-N 2.74Å; P110-D112 PolarHBondContact O-N 2.78Å; D112-A114 PolarHBondContact O-N 3.32Å; D112-Y116 WeakPolarHBondContact O-CE2 3.25Å; D112-Y116 PolarHBondContact O-OH 2.81Å
113	S	98.3	Very high	98.2	Very high	90 Å²	90	46.5 Å²	46.5	63%	0.629	29%	0.291	S	S	*	.			trans	-66.8	98	179.4	-58.5	0	0	0	0	111.1	P110 G111	P110-S113 WeakPolarHBondContact O-CB 3.24Å; P110-S113 PolarHBondContact O-N 2.82Å; P110-S113 PolarHBondContact O-OG 3.43Å; G111-S113 VanDerWaalsContact C-N 3.26Å
114	A	98.5	Very high	98.2	Very high	28 Å²	28	49.1 Å²	49.1	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-154.3	170.8	-175.3	0	0	0	0	0	111.6	Q65 Q66 F67 D112 Y116	Q65-A114 HydrophobicContact CG-CB 3.55Å; Q66-A114 WeakPolarHBondContact O-CB 3.44Å; F67-A114 HydrophobicContact CD1-CB 3.9Å; F67-A114 HydrophobicContact CE1-CB 3.98Å; D112-A114 PolarHBondContact O-N 3.32Å; A114-Y116 HydrophobicContact CB-CD2 4.46Å; A114-Y116 HydrophobicContact CB-CE2 3.91Å; A114-Y116 WeakPolarHBondContact O-CD2 3.27Å
115	T	98.7	Very high	98.1	Very high	76 Å²	76	49.6 Å²	49.6	47%	0.466	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133	165.1	-54.5	0	0	0	0	109.2	Q65 Q66 F117	Q65-T115 CarbonylContact C-O 3.54Å; Q66-T115 PolarHBondContact N-O 3Å; Q66-T115 PolarHBondContact O-N 2.91Å; T115-F117 HydrophobicContact CG2-CD2 4.41Å; T115-F117 HydrophobicContact CG2-CE1 3.82Å; T115-F117 HydrophobicContact CG2-CE2 3.67Å; T115-F117 HydrophobicContact CG2-CZ 3.34Å
116	Y	98.7	Very high	98.1	Very high	26 Å²	26	52.5 Å²	52.5	10%	0.102	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.8	-179.1	-69.1	-94.7	0	0	0	110.9	Q34 L49 Y64 Q65 L75 L103 I105 D112 A114	Q34-Y116 PolarHBondContact NE2-O 2.79Å; L49-Y116 VanDerWaalsContact CD1-CB 3.46Å; L49-Y116 HydrophobicContact CD1-CD1 4.38Å; L49-Y116 HydrophobicContact CD1-CD2 3.91Å; L49-Y116 HydrophobicContact CD1-CG 3.67Å; Y64-Y116 CarbonylContact O-C 3.45Å; Y64-Y116 VanDerWaalsContact O-CA 3.3Å; Y64-Y116 WeakPolarHBondContact O-CA 3.34Å; Q65-Y116 HydrophobicContact CB-CD1 4.33Å; Q65-Y116 HydrophobicContact CB-CE1 4.13Å; Q65-Y116 HydrophobicContact CG-CD1 4.39Å; Q65-Y116 HydrophobicContact CG-CE1 3.87Å; Q65-Y116 PolarHBondContact NE2-OH 3.03Å; L75-Y116 HydrophobicContact CD2-CD1 4.01Å; L75-Y116 HydrophobicContact CD2-CE1 3.73Å; L103-Y116 HydrophobicContact CD2-CD1 3.87Å; L103-Y116 HydrophobicContact CD2-CE1 4.32Å; I105-Y116 HydrophobicContact CD1-CD1 4.5Å; I105-Y116 HydrophobicContact CD1-CE1 3.76Å; I105-Y116 HydrophobicContact CD1-CE2 4.13Å; D112-Y116 WeakPolarHBondContact O-CE2 3.25Å; D112-Y116 PolarHBondContact O-OH 2.81Å; A114-Y116 HydrophobicContact CB-CD2 4.46Å; A114-Y116 HydrophobicContact CB-CE2 3.91Å; A114-Y116 WeakPolarHBondContact O-CD2 3.27Å
117	F	98.3	Very high	98	Very high	77 Å²	77	52.3 Å²	52.3	34%	0.338	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.7	-179.9	-54.3	-84.8	0	0	0	110.7	W63 Y64 Q66 P72 T115	W63-F117 CarbonylContact C-O 3.48Å; W63-F117 VanDerWaalsContact CA-O 3.28Å; W63-F117 WeakPolarHBondContact CA-O 3.26Å; Y64-F117 PolarHBondContact N-O 2.91Å; Y64-F117 PolarHBondContact O-N 2.7Å; Q66-F117 HydrophobicContact CB-CD2 4.49Å; Q66-F117 HydrophobicContact CB-CE2 3.77Å; Q66-F117 VanDerWaalsContact OE1-CE2 3.24Å; P72-F117 HydrophobicContact CB-CD2 4.43Å; P72-F117 HydrophobicContact CG-CE2 4.28Å; T115-F117 HydrophobicContact CG2-CD2 4.41Å; T115-F117 HydrophobicContact CG2-CE1 3.82Å; T115-F117 HydrophobicContact CG2-CE2 3.67Å; T115-F117 HydrophobicContact CG2-CZ 3.34Å
118	C	98.3	Very high	98	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.1	168.1	177.4	0	0	0	0	109.2	V32 Q34 C51 W63 L101	V32-C118 HydrophobicContact CG1-CB 4.38Å; Q34-C118 VanDerWaalsContact CD-N 3.32Å; Q34-C118 HydrophobicContact CG-CB 3.7Å; C51-C118 HydrophobicContact CB-CB 3.6Å; C51-C118 WeakPolarHBondContact CB-SG 3.35Å; C51-C118 WeakPolarHBondContact SG-CB 3.48Å; C51-C118 CovalentContact SG-SG 2.03Å; C51-C118 PolarHBondContact SG-SG 2.91Å; W63-C118 HydrophobicContact CD2-CB 4.11Å; W63-C118 HydrophobicContact CE3-CB 4.01Å; W63-C118 HydrophobicContact CH2-CB 3.76Å; W63-C118 HydrophobicContact CZ2-CB 3.83Å; W63-C118 HydrophobicContact CZ3-CB 3.84Å; L101-C118 VanDerWaalsContact CD1-SG 3.52Å
119	A	97.7	Very high	98	Very high	34 Å²	34	53.3 Å²	53.3	28%	0.281	35%	0.346	S	S	.	.			trans	-132.7	168	168.9	0	0	0	0	0	111.5	F61 P62 Y64	F61-A119 WeakPolarHBondContact CA-O 3.36Å; P62-A119 WeakPolarHBondContact CD-O 3.32Å; P62-A119 HydrophobicContact CG-CB 4.1Å; P62-A119 PolarHBondContact O-N 2.93Å; Y64-A119 HydrophobicContact CE2-CB 4.3Å
120	A	97.4	Very high	97.9	Very high	19 Å²	19	50.7 Å²	50.7	16%	0.157	34%	0.341	C	S	.	.			trans	-144.5	139.6	176.8	0	0	0	0	0	109.5	V32 F58 Y60 F61	V32-A120 HydrophobicContact CG2-CB 3.71Å; F58-A120 HydrophobicContact CB-CB 4.08Å; F58-A120 HydrophobicContact CD2-CB 3.36Å; F58-A120 HydrophobicContact CE2-CB 3.9Å; F58-A120 HydrophobicContact CG-CB 3.89Å; Y60-A120 WeakPolarHBondContact O-CA 3.41Å; F61-A120 HydrophobicContact CD1-CB 3.63Å; F61-A120 HydrophobicContact CE1-CB 3.69Å
121	S	95.3	Very high	97.9	Very high	85 Å²	85	47.1 Å²	47.1	59%	0.594	32%	0.319	S	S	*	.			trans	-151.6	0	178.7	59.9	0	0	0	0	112	F58 N59 Y60	F58-S121 CarbonylContact C-O 3.56Å; F58-S121 WeakPolarHBondContact CA-O 3.43Å; F58-S121 WeakPolarHBondContact CD1-OXT 3.33Å; N59-S121 PolarHBondContact N-O 2.92Å; Y60-S121 PolarHBondContact N-O 2.85Å; Y60-S121 PolarHBondContact O-N 2.69Å

Retrieved 121 of 121 residues in 325.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).