A0A075B640_MOUSE Loading...

T cell receptor alpha variable 7-6

AlphaFold DB , UniProt , Accession A0A075B640, Species MOUSE (Mus musculus, Mouse), Gene Trav7-6, Length 112 aa.

						>A0A075B640_MOUSE|A0A075B640|Trav7-6
MHSLHVSLVFLWLQLGGVSSQEKVQQSPESLIVPEGAMVSLNCSFSDSASQSIWWYQQHPGKGPKALISIFSNGNKKEGRLTVYLNRASLHVSLHIKDSQPSDSAVYLCAVS
					

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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	42.4	Very low	54.6	Low	237 Å²	237	147.5 Å²	147.5	100%	1.167	79%	0.785	S	S	*	*				0	106	0	-66.7	165.8	79.9	0	0	106.5
2	H	34.7	Very low	55	Low	195 Å²	195	152.3 Å²	152.3	90%	0.903	78%	0.784	S	S	*	*			trans	-78.8	125.7	-174.4	-70.4	-95.5	0	0	0	109.6
3	S	47.7	Very low	55.2	Low	119 Å²	119	150 Å²	150	83%	0.832	77%	0.773	S	S	*	*			trans	-92.7	126	174.7	-170.8	0	0	0	0	109.1
4	L	47.5	Very low	55.7	Low	164 Å²	164	149.9 Å²	149.9	86%	0.859	77%	0.768	S	S	*	*			trans	-93.4	110.5	174.6	-81	159.5	0	0	0	108.4	V6	L4-V6 PolarHBondContact O-N 3.05Å
5	H	60.4	Low	55.9	Low	164 Å²	164	150.2 Å²	150.2	76%	0.759	77%	0.77	S	S	*	*			trans	-83.2	104.3	174.7	-159.3	-86.1	0	0	0	109.2	S7	H5-S7 PolarHBondContact ND1-OG 2.87Å; H5-S7 PolarHBondContact O-N 3.1Å
6	V	62.7	Low	56.1	Low	121 Å²	121	144.7 Å²	144.7	73%	0.733	76%	0.762	S	S	*	*			trans	-83.4	99.7	173.8	178.8	0	0	0	0	108	L4 L8	L4-V6 PolarHBondContact O-N 3.05Å; V6-L8 PolarHBondContact O-N 3.24Å
7	S	63.4	Low	56.1	Low	86 Å²	86	140.5 Å²	140.5	60%	0.601	76%	0.761	S	S	*	*			trans	-82.5	109	171.6	-63.7	0	0	0	0	109.3	H5 V9	H5-S7 PolarHBondContact ND1-OG 2.87Å; H5-S7 PolarHBondContact O-N 3.1Å; S7-V9 PolarHBondContact O-N 2.86Å; S7-V9 VanDerWaalsContact O-N 3.11Å
8	L	61.1	Low	56.1	Low	126 Å²	126	140.4 Å²	140.4	66%	0.66	77%	0.766	S	S	*	*			trans	-73.7	96.2	172.5	-127.3	107.7	0	0	0	108.6	V6 F10	V6-L8 PolarHBondContact O-N 3.24Å; L8-F10 HydrophobicContact CB-CE2 4.3Å; L8-F10 HydrophobicContact CD2-CD2 4.47Å; L8-F10 HydrophobicContact CD2-CE1 4.05Å; L8-F10 HydrophobicContact CD2-CE2 3.88Å; L8-F10 HydrophobicContact CD2-CZ 3.64Å; L8-F10 PolarHBondContact O-N 3.05Å; L8-F10 VanDerWaalsContact O-N 3.07Å
9	V	61.4	Low	56.3	Low	121 Å²	121	138.4 Å²	138.4	73%	0.733	76%	0.763	S	S	*	*			trans	-70.9	100.9	169.3	179.9	0	0	0	0	107.1	S7 L11	S7-V9 PolarHBondContact O-N 2.86Å; S7-V9 VanDerWaalsContact O-N 3.11Å; V9-L11 VanDerWaalsContact C-N 3.31Å; V9-L11 PolarHBondContact O-N 3.27Å
10	F	62.3	Low	56.5	Low	155 Å²	155	136.2 Å²	136.2	68%	0.68	76%	0.758	S	S	*	*			trans	-69.1	94	167.3	-75.1	-85.3	0	0	0	107.8	L8 W12	L8-F10 HydrophobicContact CB-CE2 4.3Å; L8-F10 HydrophobicContact CD2-CD2 4.47Å; L8-F10 HydrophobicContact CD2-CE1 4.05Å; L8-F10 HydrophobicContact CD2-CE2 3.88Å; L8-F10 HydrophobicContact CD2-CZ 3.64Å; L8-F10 PolarHBondContact O-N 3.05Å; L8-F10 VanDerWaalsContact O-N 3.07Å; F10-W12 VanDerWaalsContact C-N 3.3Å; F10-W12 PolarHBondContact O-N 3.18Å
11	L	57.5	Low	57	Low	135 Å²	135	137.4 Å²	137.4	71%	0.707	76%	0.758	S	S	*	*			trans	-66.6	95.5	168.7	-152	77.3	0	0	0	106.5	V9 L13	V9-L11 VanDerWaalsContact C-N 3.31Å; V9-L11 PolarHBondContact O-N 3.27Å; L11-L13 HydrophobicContact CB-CD1 4.49Å; L11-L13 HydrophobicContact CD2-CD1 3.47Å; L11-L13 VanDerWaalsContact CD2-CD1 3.47Å; L11-L13 HydrophobicContact CG-CD1 4Å; L11-L13 PolarHBondContact O-N 3.03Å
12	W	59.4	Low	58.5	Low	205 Å²	205	128.7 Å²	128.7	78%	0.777	71%	0.714	S	S	*	*			trans	-65.6	85.4	169.4	-82.7	47.4	0	0	0	107.1	F10 Q14	F10-W12 VanDerWaalsContact C-N 3.3Å; F10-W12 PolarHBondContact O-N 3.18Å; W12-Q14 VanDerWaalsContact CE3-NE2 3.28Å; W12-Q14 PolarHBondContact O-N 2.9Å
13	L	57.5	Low	61	Low	122 Å²	122	126 Å²	126	64%	0.639	70%	0.7	S	S	*	*			trans	-67.1	89.8	163.8	-111.3	81.9	0	0	0	106.5	L11 L15	L11-L13 HydrophobicContact CB-CD1 4.49Å; L11-L13 HydrophobicContact CD2-CD1 3.47Å; L11-L13 VanDerWaalsContact CD2-CD1 3.47Å; L11-L13 HydrophobicContact CG-CD1 4Å; L11-L13 PolarHBondContact O-N 3.03Å; L13-L15 PolarHBondContact O-N 3.26Å
14	Q	61.7	Low	63.2	Low	149 Å²	149	122.9 Å²	122.9	70%	0.696	68%	0.676	S	S	*	*			trans	-66.6	88	159.3	-64	-68	-55.2	0	0	105.8	W12 G16	W12-Q14 VanDerWaalsContact CE3-NE2 3.28Å; W12-Q14 PolarHBondContact O-N 2.9Å; Q14-G16 PolarHBondContact O-N 3.14Å
15	L	58.9	Low	65.5	Low	154 Å²	154	120.8 Å²	120.8	81%	0.806	66%	0.662	S	S	*	*			trans	-63.6	84.1	160.1	-80.5	157.2	0	0	0	105.8	L13 G17	L13-L15 PolarHBondContact O-N 3.26Å; L15-G17 PolarHBondContact O-N 2.94Å
16	G	58.2	Low	67.3	Low	62 Å²	62	116.6 Å²	116.6	64%	0.639	64%	0.642	S	S	*	*			trans	-56.1	107.6	167.5	0	0	0	0	0	106.5	Q14 V18	Q14-G16 PolarHBondContact O-N 3.14Å; G16-V18 PolarHBondContact O-N 3.12Å
17	G	56.7	Low	69	Low	73 Å²	73	113.6 Å²	113.6	75%	0.753	63%	0.627	S	S	*	*			trans	-55.3	114.3	179.3	0	0	0	0	0	108.7	L15 S19	L15-G17 PolarHBondContact O-N 2.94Å; G17-S19 VanDerWaalsContact C-N 3.25Å; G17-S19 PolarHBondContact O-N 2.92Å
18	V	56.9	Low	70.6	Confident	140 Å²	140	112.1 Å²	112.1	85%	0.848	62%	0.615	S	S	*	*			trans	-73.5	90	169.7	-178	0	0	0	0	106.1	G16 S20	G16-V18 PolarHBondContact O-N 3.12Å; V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 2.78Å; V18-S20 VanDerWaalsContact O-N 3.08Å
19	S	59.1	Low	72.4	Confident	101 Å²	101	115.7 Å²	115.7	71%	0.706	63%	0.628	S	S	*	*			trans	-77	85.2	167.1	173	0	0	0	0	107.9	G17 Q21	G17-S19 VanDerWaalsContact C-N 3.25Å; G17-S19 PolarHBondContact O-N 2.92Å; S19-Q21 VanDerWaalsContact C-N 3.25Å; S19-Q21 PolarHBondContact O-N 3.07Å
20	S	60.3	Low	74	Confident	94 Å²	94	114.7 Å²	114.7	66%	0.657	63%	0.627	S	S	*	*			trans	-72.8	89.5	162.4	-165.4	0	0	0	0	106.9	V18 E22	V18-S20 VanDerWaalsContact C-N 3.29Å; V18-S20 PolarHBondContact O-N 2.78Å; V18-S20 VanDerWaalsContact O-N 3.08Å; S20-E22 PolarHBondContact O-N 2.64Å
21	Q	66.4	Low	75.7	Confident	163 Å²	163	111.4 Å²	111.4	76%	0.762	62%	0.616	S	S	*	*			trans	-81	107.2	176.3	-170.2	170.2	53	0	0	107.8	S19 K23	S19-Q21 VanDerWaalsContact C-N 3.25Å; S19-Q21 PolarHBondContact O-N 3.07Å; Q21-K23 PolarHBondContact O-N 2.88Å; Q21-K23 VanDerWaalsContact O-N 3.17Å
22	E	73.8	Confident	77.6	Confident	53 Å²	53	112.8 Å²	112.8	25%	0.248	62%	0.622	C	S	.	*			trans	-62.1	115.9	171.7	-164.3	174.7	177	0	0	109.1	S20 D47 S50 V111	S20-E22 PolarHBondContact O-N 2.64Å; E22-D47 HydrophobicContact CG-CB 3.96Å; E22-S50 WeakPolarHBondContact OE1-CB 3.19Å; E22-S50 PolarHBondContact OE1-OG 3.27Å; E22-V111 HydrophobicContact CG-CG2 3.78Å; E22-V111 VanDerWaalsContact OE1-CB 3.26Å; E22-V111 WeakPolarHBondContact OE1-CB 3.42Å; E22-V111 WeakPolarHBondContact OE1-CG2 3.4Å
23	K	88.1	Confident	79.4	Confident	138 Å²	138	105.3 Å²	105.3	60%	0.6	60%	0.599	S	S	*	*			trans	-94.2	123.7	-177	-174.2	-178.6	180	-174.5	0	109.1	Q21 F45 S46	Q21-K23 PolarHBondContact O-N 2.88Å; Q21-K23 VanDerWaalsContact O-N 3.17Å; K23-F45 CarbonylContact O-C 3.59Å; K23-F45 WeakPolarHBondContact O-CA 3.24Å; K23-S46 PolarHBondContact N-OG 3.47Å; K23-S46 PolarHBondContact O-N 2.8Å; K23-S46 VanDerWaalsContact O-N 3.09Å
24	V	93.5	Very high	81.3	Confident	54 Å²	54	104 Å²	104	33%	0.327	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	136.8	172.6	-177.2	0	0	0	0	109.6	Q26 C43 S44 C109 V111	V24-Q26 HydrophobicContact CG1-CG 4.38Å; V24-C43 VanDerWaalsContact CG1-SG 3.51Å; V24-S44 CarbonylContact C-O 3.59Å; V24-S44 WeakPolarHBondContact CA-O 3.31Å; V24-C109 HydrophobicContact CG1-CB 4.32Å; V24-V111 HydrophobicContact CG2-CG1 4.4Å; V24-V111 HydrophobicContact CG2-CG2 3.32Å
25	Q	96.6	Very high	83	Confident	121 Å²	121	104 Å²	104	57%	0.565	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.4	122.1	174	-174.6	164.2	2.4	0	0	110.5	C43 S44	Q25-C43 CarbonylContact O-C 3.53Å; Q25-C43 VanDerWaalsContact O-CA 3.29Å; Q25-C43 WeakPolarHBondContact O-CA 3.32Å; Q25-S44 PolarHBondContact N-O 3.28Å; Q25-S44 PolarHBondContact O-N 2.92Å
26	Q	98	Very high	84.9	Confident	75 Å²	75	98.8 Å²	98.8	35%	0.35	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	147.6	-177.7	-72.4	-179	-133.7	0	0	112.2	V24 N42 C43 Y107 C109	V24-Q26 HydrophobicContact CG1-CG 4.38Å; Q26-N42 CarbonylContact C-O 3.45Å; Q26-N42 VanDerWaalsContact CA-O 3.24Å; Q26-N42 WeakPolarHBondContact CA-O 3.48Å; Q26-C43 HydrophobicContact CG-CB 4.24Å; Q26-Y107 PolarHBondContact NE2-O 3.07Å; Q26-C109 HydrophobicContact CG-CB 3.93Å
27	S	98.1	Very high	86.8	Confident	59 Å²	59	97.3 Å²	97.3	41%	0.413	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.2	152	172.9	65.9	0	0	0	0	112.7	N42	S27-N42 PolarHBondContact N-O 3.29Å; S27-N42 PolarHBondContact O-N 3.11Å
28	P	98.1	Very high	88.8	Confident	54 Å²	54	98.9 Å²	98.9	35%	0.351	55%	0.552	S	S	.	*			cis	-66.6	163.3	-14.8	32.5	-36.9	0	0	0	111.7	S30 L31	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-L31 HydrophobicContact CG-CB 3.82Å
29	E	97.3	Very high	90.7	Very high	201 Å²	201	92.9 Å²	92.9	94%	0.939	52%	0.516	S	S	*	.	S	Bend	trans	-67.5	-35.6	175.3	-175.3	-179.8	179.6	0	0	111.8
30	S	96.6	Very high	92.6	Very high	100 Å²	100	90 Å²	90	70%	0.699	50%	0.496	S	S	*	.			trans	-147.3	147.5	174.1	-178.7	0	0	0	0	109.6	P28	P28-S30 VanDerWaalsContact C-N 3.32Å
31	L	96.8	Very high	94.4	Very high	87 Å²	87	86.5 Å²	86.5	46%	0.455	47%	0.47	S	S	.	.			trans	-145.7	135.6	179	-179	68.2	0	0	0	109.2	P28 V33 V39	P28-L31 HydrophobicContact CG-CB 3.82Å; L31-V33 HydrophobicContact CD1-CG1 4.31Å; L31-V33 HydrophobicContact CD2-CG1 3.53Å; L31-V33 HydrophobicContact CG-CG1 3.68Å; L31-V39 HydrophobicContact CD2-CG1 4.39Å
32	I	97.5	Very high	96	Very high	163 Å²	163	80.6 Å²	80.6	84%	0.836	44%	0.444	S	S	*	.			trans	-110.6	123.7	169.2	-58.8	175.2	0	0	0	106.8
33	V	96.8	Very high	97.1	Very high	49 Å²	49	78.1 Å²	78.1	30%	0.297	43%	0.432	S	S	.	.			trans	-122.8	144.8	176.4	-61.6	0	0	0	0	110	L31 A37 V39	L31-V33 HydrophobicContact CD1-CG1 4.31Å; L31-V33 HydrophobicContact CD2-CG1 3.53Å; L31-V33 HydrophobicContact CG-CG1 3.68Å; V33-A37 HydrophobicContact CB-CB 4.39Å; V33-V39 HydrophobicContact CG1-CG2 4.36Å; V33-V39 HydrophobicContact CG2-CG2 3.73Å
34	P	97.9	Very high	97.5	Very high	95 Å²	95	73.8 Å²	73.8	62%	0.617	42%	0.419	S	S	*	.			trans	-68.1	158	168.8	28	-29.8	0	0	0	110.4	A37 S99	P34-A37 HydrophobicContact CG-CB 3.87Å; P34-A37 WeakPolarHBondContact O-CB 3.44Å; P34-A37 PolarHBondContact O-N 2.88Å; P34-S99 PolarHBondContact O-OG 3.08Å
35	E	98	Very high	97.5	Very high	147 Å²	147	71.7 Å²	71.7	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	143.2	172.6	-166.2	176.5	169.2	0	0	110.7	A37 S99	E35-A37 PolarHBondContact O-N 3.39Å; E35-S99 WeakPolarHBondContact CA-OG 3.42Å; E35-S99 VanDerWaalsContact CG-O 3.24Å; E35-S99 WeakPolarHBondContact CG-O 3.34Å
36	G	98.1	Very high	97.2	Very high	45 Å²	45	69.1 Å²	69.1	46%	0.464	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-11.2	-176.1	0	0	0	0	0	115	S99	G36-S99 PolarHBondContact N-O 3.01Å; G36-S99 PolarHBondContact N-OG 3Å
37	A	98.3	Very high	96.5	Very high	31 Å²	31	67.9 Å²	67.9	26%	0.256	40%	0.397	S	S	.	.	S	Bend	trans	-76.1	165.1	175.8	0	0	0	0	0	112.6	V33 P34 E35 S99	V33-A37 HydrophobicContact CB-CB 4.39Å; P34-A37 HydrophobicContact CG-CB 3.87Å; P34-A37 WeakPolarHBondContact O-CB 3.44Å; P34-A37 PolarHBondContact O-N 2.88Å; E35-A37 PolarHBondContact O-N 3.39Å; A37-S99 PolarHBondContact N-OG 2.75Å; A37-S99 VanDerWaalsContact N-OG 3.11Å; A37-S99 VanDerWaalsContact O-CB 3.24Å; A37-S99 WeakPolarHBondContact O-CB 3.47Å; A37-S99 PolarHBondContact O-N 3.24Å; A37-S99 PolarHBondContact O-OG 3.11Å; A37-S99 VanDerWaalsContact O-OG 3.11Å
38	M	98.3	Very high	95.6	Very high	106 Å²	106	69.2 Å²	69.2	52%	0.522	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-88.3	127.3	174	-174.9	172.4	64.6	0	0	110.6	I96	M38-I96 CarbonylContact C-O 3.56Å; M38-I96 WeakPolarHBondContact CA-O 3.49Å
39	V	98.3	Very high	94.7	Very high	15 Å²	15	69.5 Å²	69.5	9%	0.091	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.9	167.5	178.1	0	0	0	0	108.7	L31 V33 L41 H95 I96	L31-V39 HydrophobicContact CD2-CG1 4.39Å; V33-V39 HydrophobicContact CG1-CG2 4.36Å; V33-V39 HydrophobicContact CG2-CG2 3.73Å; V39-L41 HydrophobicContact CG1-CD1 4.3Å; V39-L41 HydrophobicContact CG1-CD2 4.28Å; V39-L41 HydrophobicContact CG1-CG 3.9Å; V39-H95 VanDerWaalsContact O-CA 3.24Å; V39-H95 WeakPolarHBondContact O-CA 3.19Å; V39-I96 HydrophobicContact CB-CB 3.98Å; V39-I96 HydrophobicContact CB-CG1 4.26Å; V39-I96 HydrophobicContact CG1-CD1 4.5Å; V39-I96 HydrophobicContact CG2-CB 4.39Å; V39-I96 PolarHBondContact N-O 3.09Å; V39-I96 PolarHBondContact O-N 2.84Å
40	S	98.4	Very high	93.9	Very high	40 Å²	40	60 Å²	60	28%	0.28	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	117.1	171.2	-176.5	0	0	0	0	109.2	H95	S40-H95 PolarHBondContact OG-NE2 2.47Å; S40-H95 VanDerWaalsContact OG-NE2 3.12Å
41	L	98.6	Very high	93.2	Very high	20 Å²	20	62.4 Å²	62.4	11%	0.105	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.8	177.1	-59.5	172.3	0	0	0	108.6	V39 W55 S93 L94 Y107	V39-L41 HydrophobicContact CG1-CD1 4.3Å; V39-L41 HydrophobicContact CG1-CD2 4.28Å; V39-L41 HydrophobicContact CG1-CG 3.9Å; L41-W55 HydrophobicContact CB-CH2 3.76Å; L41-W55 HydrophobicContact CB-CZ3 4.06Å; L41-W55 HydrophobicContact CD1-CZ3 4.21Å; L41-S93 CarbonylContact O-C 3.36Å; L41-S93 WeakPolarHBondContact O-CA 3.33Å; L41-S93 WeakPolarHBondContact O-CB 3.48Å; L41-L94 HydrophobicContact CB-CB 4.44Å; L41-L94 HydrophobicContact CD1-CD2 4.32Å; L41-L94 PolarHBondContact N-O 3.49Å; L41-L94 PolarHBondContact O-N 2.84Å; L41-Y107 VanDerWaalsContact CD1-CB 3.46Å; L41-Y107 HydrophobicContact CD1-CD1 3.99Å; L41-Y107 HydrophobicContact CD1-CD2 3.89Å; L41-Y107 HydrophobicContact CD1-CG 3.51Å
42	N	98.4	Very high	92.9	Very high	40 Å²	40	58.9 Å²	58.9	21%	0.214	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150.6	-175.8	-65.8	-74.6	0	0	0	110.3	Q26 S27 H91 V92 S93	Q26-N42 CarbonylContact C-O 3.45Å; Q26-N42 VanDerWaalsContact CA-O 3.24Å; Q26-N42 WeakPolarHBondContact CA-O 3.48Å; S27-N42 PolarHBondContact N-O 3.29Å; S27-N42 PolarHBondContact O-N 3.11Å; N42-H91 PolarHBondContact OD1-CE1 2.7Å; N42-H91 PolarHBondContact OD1-NE2 2.83Å; N42-V92 CarbonylContact C-O 3.53Å; N42-S93 WeakPolarHBondContact OD1-CB 3.48Å
43	C	97.4	Very high	92.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	122.1	178.6	170.2	0	0	0	0	108	V24 Q25 Q26 W55 V92 C109	V24-C43 VanDerWaalsContact CG1-SG 3.51Å; Q25-C43 CarbonylContact O-C 3.53Å; Q25-C43 VanDerWaalsContact O-CA 3.29Å; Q25-C43 WeakPolarHBondContact O-CA 3.32Å; Q26-C43 HydrophobicContact CG-CB 4.24Å; C43-W55 HydrophobicContact CB-CH2 4.04Å; C43-W55 HydrophobicContact CB-CZ2 3.78Å; C43-V92 HydrophobicContact CB-CG1 3.53Å; C43-V92 PolarHBondContact N-O 3.33Å; C43-V92 PolarHBondContact O-N 2.85Å; C43-V92 VanDerWaalsContact O-O 3.1Å; C43-C109 HydrophobicContact CB-CB 3.5Å; C43-C109 WeakPolarHBondContact CB-SG 3.23Å; C43-C109 WeakPolarHBondContact SG-CB 3.34Å; C43-C109 CovalentContact SG-SG 2.04Å; C43-C109 PolarHBondContact SG-SG 3.11Å
44	S	96.3	Very high	92.8	Very high	46 Å²	46	52.6 Å²	52.6	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152	169	58.7	0	0	0	0	110	V24 Q25 L90	V24-S44 CarbonylContact C-O 3.59Å; V24-S44 WeakPolarHBondContact CA-O 3.31Å; Q25-S44 PolarHBondContact N-O 3.28Å; Q25-S44 PolarHBondContact O-N 2.92Å; S44-L90 VanDerWaalsContact CA-O 3.31Å; S44-L90 WeakPolarHBondContact CA-O 3.2Å
45	F	93.7	Very high	92.8	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.044	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.2	-178.2	53.8	-85.1	0	0	0	111.3	K23 D47 I53 L85 L90 V111	K23-F45 CarbonylContact O-C 3.59Å; K23-F45 WeakPolarHBondContact O-CA 3.24Å; F45-D47 WeakPolarHBondContact CD2-O 3.27Å; F45-D47 VanDerWaalsContact CE2-O 3.23Å; F45-D47 WeakPolarHBondContact CE2-O 3.24Å; F45-I53 HydrophobicContact CD1-CD1 4.34Å; F45-I53 HydrophobicContact CE1-CD1 3.99Å; F45-I53 HydrophobicContact CZ-CD1 4.2Å; F45-L85 HydrophobicContact CE1-CD1 4.08Å; F45-L85 HydrophobicContact CZ-CD1 4.05Å; F45-L90 WeakPolarHBondContact CD1-O 3.41Å; F45-L90 HydrophobicContact CD2-CB 4.11Å; F45-L90 HydrophobicContact CD2-CD2 4.12Å; F45-L90 WeakPolarHBondContact CE1-O 3.48Å; F45-L90 HydrophobicContact CE2-CB 3.98Å; F45-L90 HydrophobicContact CE2-CD2 3.56Å; F45-L90 HydrophobicContact CE2-CG 4.38Å; F45-L90 HydrophobicContact CG-CB 4.44Å; F45-L90 HydrophobicContact CZ-CB 4.19Å; F45-L90 HydrophobicContact CZ-CD2 4.21Å; F45-L90 PolarHBondContact N-O 3.47Å; F45-L90 WeakPolarHBondContact O-CB 3.44Å; F45-V111 HydrophobicContact CB-CG1 4.1Å; F45-V111 HydrophobicContact CB-CG2 4.23Å; F45-V111 HydrophobicContact CD1-CG1 4.16Å; F45-V111 HydrophobicContact CG-CG1 4.14Å
46	S	89.6	Confident	92.8	Very high	67 Å²	67	44.5 Å²	44.5	47%	0.469	26%	0.263	S	S	.	.	S	Bend	trans	-96.9	-16.7	-172	62.8	0	0	0	0	115	K23	K23-S46 PolarHBondContact N-OG 3.47Å; K23-S46 PolarHBondContact O-N 2.8Å; K23-S46 VanDerWaalsContact O-N 3.09Å
47	D	83.9	Confident	92.8	Very high	49 Å²	49	43.9 Å²	43.9	26%	0.262	25%	0.248	S	C	.	.			trans	-109.8	128.4	-176.3	-163.4	-15	0	0	0	111.1	E22 F45 A49 S50	E22-D47 HydrophobicContact CG-CB 3.96Å; F45-D47 WeakPolarHBondContact CD2-O 3.27Å; F45-D47 VanDerWaalsContact CE2-O 3.23Å; F45-D47 WeakPolarHBondContact CE2-O 3.24Å; D47-A49 PolarHBondContact O-N 2.84Å; D47-A49 VanDerWaalsContact OD1-CB 3.24Å; D47-A49 WeakPolarHBondContact OD1-CB 3.32Å; D47-A49 PolarHBondContact OD1-N 2.87Å; D47-S50 PolarHBondContact O-OG 3.33Å
48	S	79.3	Confident	92.8	Very high	88 Å²	88	45.1 Å²	45.1	62%	0.615	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.7	173.9	66.3	0	0	0	0	113.3	S50	S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 2.91Å
49	A	79.9	Confident	92.8	Very high	59 Å²	59	43.1 Å²	43.1	49%	0.488	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.5	-178.2	0	0	0	0	0	113.7	D47 Q51	D47-A49 PolarHBondContact O-N 2.84Å; D47-A49 VanDerWaalsContact OD1-CB 3.24Å; D47-A49 WeakPolarHBondContact OD1-CB 3.32Å; D47-A49 PolarHBondContact OD1-N 2.87Å; A49-Q51 WeakPolarHBondContact O-CG 3.48Å; A49-Q51 PolarHBondContact O-N 2.79Å; A49-Q51 VanDerWaalsContact O-N 3.07Å
50	S	79.4	Confident	92.8	Very high	1 Å²	1	48 Å²	48	1%	0.007	27%	0.27	C	S	.	.			trans	-55.6	116.1	-179.4	-25	0	0	0	0	110.3	E22 D47 S48 R87 S112	E22-S50 WeakPolarHBondContact OE1-CB 3.19Å; E22-S50 PolarHBondContact OE1-OG 3.27Å; D47-S50 PolarHBondContact O-OG 3.33Å; S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 2.91Å; S50-R87 PolarHBondContact O-NH1 2.92Å; S50-R87 PolarHBondContact O-NH2 2.82Å; S50-S112 CarbonylContact C-O 3.58Å; S50-S112 WeakPolarHBondContact CA-O 3.19Å
51	Q	82.7	Confident	92.7	Very high	151 Å²	151	50.2 Å²	50.2	71%	0.706	30%	0.299	S	S	*	.			trans	-85.3	-30.2	-175.6	-57.5	-172.6	17.2	0	0	111.9	A49 R87 S112	A49-Q51 WeakPolarHBondContact O-CG 3.48Å; A49-Q51 PolarHBondContact O-N 2.79Å; A49-Q51 VanDerWaalsContact O-N 3.07Å; Q51-R87 PolarHBondContact O-NH2 2.96Å; Q51-S112 WeakPolarHBondContact CA-O 3.28Å; Q51-S112 PolarHBondContact N-O 3.02Å
52	S	89.4	Confident	92.6	Very high	14 Å²	14	55.7 Å²	55.7	10%	0.098	32%	0.322	C	S	.	.			trans	-130.1	136.8	-177.2	88	0	0	0	0	113.3	W54 F71 V111 S112	S52-W54 PolarHBondContact OG-NE1 2.82Å; S52-F71 VanDerWaalsContact CB-CD1 3.49Å; S52-F71 VanDerWaalsContact CB-CE1 3.43Å; S52-V111 WeakPolarHBondContact O-CA 3.21Å; S52-S112 PolarHBondContact N-O 3.34Å; S52-S112 PolarHBondContact O-N 3.31Å; S52-S112 VanDerWaalsContact O-N 3.12Å; S52-S112 PolarHBondContact OG-OG 3.29Å
53	I	95.1	Very high	92.6	Very high	0 Å²	0	56 Å²	56	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.3	172.2	-49.8	-65.3	0	0	0	108.4	F45 S69 I70 L85 V92 A110 V111	F45-I53 HydrophobicContact CD1-CD1 4.34Å; F45-I53 HydrophobicContact CE1-CD1 3.99Å; F45-I53 HydrophobicContact CZ-CD1 4.2Å; I53-S69 CarbonylContact O-C 3.6Å; I53-S69 WeakPolarHBondContact O-CA 3.48Å; I53-S69 VanDerWaalsContact O-CB 3.31Å; I53-S69 WeakPolarHBondContact O-CB 3.36Å; I53-I70 HydrophobicContact CB-CG2 3.87Å; I53-I70 HydrophobicContact CG1-CG2 4.37Å; I53-I70 HydrophobicContact CG2-CG2 4.38Å; I53-I70 PolarHBondContact N-O 3.02Å; I53-I70 PolarHBondContact O-N 2.9Å; I53-L85 HydrophobicContact CG1-CD1 4.09Å; I53-L85 HydrophobicContact CG1-CD2 4.02Å; I53-V92 HydrophobicContact CG2-CB 4.23Å; I53-V92 HydrophobicContact CG2-CG1 3.76Å; I53-V92 HydrophobicContact CG2-CG2 4Å; I53-A110 WeakPolarHBondContact CA-O 3.1Å; I53-V111 HydrophobicContact CD1-CB 4Å; I53-V111 HydrophobicContact CD1-CG1 3.34Å
54	W	97.2	Very high	92.6	Very high	80 Å²	80	59.3 Å²	59.3	30%	0.303	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.2	177.8	-66.9	81.7	0	0	0	110.7	S52 Y56 A66 F71 C109 A110	S52-W54 PolarHBondContact OG-NE1 2.82Å; W54-Y56 HydrophobicContact CB-CD2 4.17Å; W54-Y56 HydrophobicContact CB-CE2 3.47Å; W54-Y56 VanDerWaalsContact CB-CE2 3.47Å; W54-Y56 HydrophobicContact CG-CE2 4.33Å; W54-A66 HydrophobicContact CE3-CB 4.1Å; W54-A66 HydrophobicContact CZ3-CB 4.12Å; W54-F71 HydrophobicContact CZ2-CE1 4.39Å; W54-F71 AromaticContact CZ2-CZ 3.99Å; W54-F71 HydrophobicContact CZ2-CZ 3.99Å; W54-C109 CarbonylContact O-C 3.53Å; W54-C109 WeakPolarHBondContact O-CA 2.92Å; W54-A110 HydrophobicContact CB-CB 4.48Å; W54-A110 PolarHBondContact N-O 3.35Å; W54-A110 PolarHBondContact O-N 3.44Å
55	W	98.4	Very high	92.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.5	162.6	-77.2	92.9	0	0	0	109.2	L41 C43 L67 I68 L94 L108 C109	L41-W55 HydrophobicContact CB-CH2 3.76Å; L41-W55 HydrophobicContact CB-CZ3 4.06Å; L41-W55 HydrophobicContact CD1-CZ3 4.21Å; C43-W55 HydrophobicContact CB-CH2 4.04Å; C43-W55 HydrophobicContact CB-CZ2 3.78Å; W55-L67 WeakPolarHBondContact O-CA 3.36Å; W55-L67 WeakPolarHBondContact O-CB 3.49Å; W55-L67 PolarHBondContact O-N 3.12Å; W55-I68 HydrophobicContact CB-CG2 3.96Å; W55-I68 PolarHBondContact N-O 2.85Å; W55-I68 PolarHBondContact O-N 3.43Å; W55-L94 HydrophobicContact CB-CD2 4.06Å; W55-L94 HydrophobicContact CD2-CB 3.69Å; W55-L94 HydrophobicContact CD2-CD2 3.73Å; W55-L94 HydrophobicContact CD2-CG 4.31Å; W55-L94 VanDerWaalsContact CE2-CB 3.46Å; W55-L94 HydrophobicContact CE3-CB 4.22Å; W55-L94 HydrophobicContact CE3-CD2 3.8Å; W55-L94 HydrophobicContact CG-CB 4.05Å; W55-L94 HydrophobicContact CG-CD2 3.85Å; W55-L94 HydrophobicContact CG-CG 4.4Å; W55-L94 HydrophobicContact CH2-CB 4.31Å; W55-L94 HydrophobicContact CZ2-CB 3.8Å; W55-L108 CarbonylContact C-O 3.59Å; W55-L108 WeakPolarHBondContact CA-O 3.26Å; W55-C109 HydrophobicContact CD2-CB 4.46Å; W55-C109 HydrophobicContact CE3-CB 4.32Å; W55-C109 HydrophobicContact CH2-CB 4.04Å; W55-C109 HydrophobicContact CZ2-CB 4.17Å; W55-C109 HydrophobicContact CZ3-CB 4.11Å
56	Y	98.5	Very high	92.9	Very high	71 Å²	71	66.3 Å²	66.3	28%	0.278	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.6	173.5	-64.3	-98.3	0	0	0	110	W54 P64 K65 A66 Y107 L108 A110	W54-Y56 HydrophobicContact CB-CD2 4.17Å; W54-Y56 HydrophobicContact CB-CE2 3.47Å; W54-Y56 VanDerWaalsContact CB-CE2 3.47Å; W54-Y56 HydrophobicContact CG-CE2 4.33Å; Y56-P64 HydrophobicContact CD1-CB 4.15Å; Y56-P64 HydrophobicContact CG-CB 4.39Å; Y56-K65 CarbonylContact C-O 3.5Å; Y56-K65 WeakPolarHBondContact CA-O 3.37Å; Y56-A66 HydrophobicContact CD1-CB 4.28Å; Y56-A66 HydrophobicContact CE1-CB 4.03Å; Y56-Y107 VanDerWaalsContact O-CA 3.32Å; Y56-Y107 WeakPolarHBondContact O-CA 3.33Å; Y56-L108 PolarHBondContact N-O 2.91Å; Y56-L108 PolarHBondContact O-N 2.83Å; Y56-A110 HydrophobicContact CD2-CB 4.37Å; Y56-A110 HydrophobicContact CE2-CB 3.86Å
57	Q	98.4	Very high	93.3	Very high	32 Å²	32	65 Å²	65	15%	0.15	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.6	170.3	-171.5	-175	51.8	0	0	109.1	H59 K65 L67 A105 Y107	Q57-H59 PolarHBondContact OE1-CE1 3Å; Q57-K65 PolarHBondContact N-O 3.43Å; Q57-K65 PolarHBondContact O-N 2.9Å; Q57-L67 HydrophobicContact CB-CB 4.36Å; Q57-L67 HydrophobicContact CB-CD2 4.35Å; Q57-A105 HydrophobicContact CG-CB 3.48Å; Q57-A105 VanDerWaalsContact CG-CB 3.48Å; Q57-Y107 HydrophobicContact CB-CD1 4.46Å; Q57-Y107 HydrophobicContact CB-CE1 4.27Å; Q57-Y107 HydrophobicContact CG-CD1 4.45Å; Q57-Y107 HydrophobicContact CG-CE1 3.95Å; Q57-Y107 PolarHBondContact NE2-OH 2.86Å
58	Q	98.6	Very high	94	Very high	58 Å²	58	63 Å²	63	27%	0.271	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	107.9	179	-175.8	-179.1	12.6	0	0	110.4	K62 P64 A105 V106	Q58-K62 VanDerWaalsContact CG-O 3.28Å; Q58-K62 WeakPolarHBondContact CG-O 3.38Å; Q58-K62 PolarHBondContact NE2-O 2.81Å; Q58-P64 HydrophobicContact CG-CG 4.48Å; Q58-A105 WeakPolarHBondContact O-CB 3.44Å; Q58-V106 HydrophobicContact CB-CB 4.26Å; Q58-V106 PolarHBondContact N-O 2.83Å; Q58-V106 PolarHBondContact O-N 2.8Å
59	H	98.1	Very high	94.8	Very high	64 Å²	64	59.4 Å²	59.4	30%	0.296	34%	0.344	S	S	.	.			trans	-75.3	154.6	171	-64.8	100.3	0	0	0	111.7	Q57 G61 K62 S102	Q57-H59 PolarHBondContact OE1-CE1 3Å; H59-G61 PolarHBondContact O-N 2.94Å; H59-K62 HydrophobicContact CB-CB 4.43Å; H59-K62 HydrophobicContact CB-CG 4.22Å; H59-K62 WeakPolarHBondContact O-CB 3.47Å; H59-K62 PolarHBondContact O-N 2.77Å; H59-S102 PolarHBondContact NE2-O 2.91Å
60	P	96.9	Very high	95.6	Very high	116 Å²	116	57 Å²	57	75%	0.753	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	131.1	177.3	-27.6	35.3	0	0	0	113	K62	P60-K62 PolarHBondContact O-N 2.89Å
61	G	97.1	Very high	96.3	Very high	87 Å²	87	62 Å²	62	90%	0.897	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	10.2	-179.8	0	0	0	0	0	115.2	H59	H59-G61 PolarHBondContact O-N 2.94Å
62	K	97.3	Very high	96.8	Very high	135 Å²	135	59 Å²	59	59%	0.587	34%	0.341	S	S	*	.	S	Bend	trans	-116.1	161.5	175.4	-55.6	-60.8	179.2	-173.5	0	110.9	Q58 H59 P60	Q58-K62 VanDerWaalsContact CG-O 3.28Å; Q58-K62 WeakPolarHBondContact CG-O 3.38Å; Q58-K62 PolarHBondContact NE2-O 2.81Å; H59-K62 HydrophobicContact CB-CB 4.43Å; H59-K62 HydrophobicContact CB-CG 4.22Å; H59-K62 WeakPolarHBondContact O-CB 3.47Å; H59-K62 PolarHBondContact O-N 2.77Å; P60-K62 PolarHBondContact O-N 2.89Å
63	G	97.2	Very high	97.1	Very high	47 Å²	47	63 Å²	63	49%	0.485	36%	0.361	S	S	.	.			trans	-78.2	160.8	169.8	0	0	0	0	0	112.2
64	P	97.9	Very high	97.1	Very high	70 Å²	70	64.7 Å²	64.7	46%	0.455	38%	0.378	S	S	.	.			trans	-59.1	136	174	-21.3	32.6	0	0	0	111.8	Y56 Q58 L108	Y56-P64 HydrophobicContact CD1-CB 4.15Å; Y56-P64 HydrophobicContact CG-CB 4.39Å; Q58-P64 HydrophobicContact CG-CG 4.48Å; P64-L108 HydrophobicContact CB-CD1 4.41Å; P64-L108 HydrophobicContact CG-CD1 4.11Å
65	K	98.3	Very high	97.2	Very high	142 Å²	142	66 Å²	66	62%	0.617	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.7	173.6	-66.5	-174.8	178.8	-178.7	0	110	Y56 Q57 L67	Y56-K65 CarbonylContact C-O 3.5Å; Y56-K65 WeakPolarHBondContact CA-O 3.37Å; Q57-K65 PolarHBondContact N-O 3.43Å; Q57-K65 PolarHBondContact O-N 2.9Å; K65-L67 PolarHBondContact O-N 2.87Å
66	A	97.8	Very high	97.2	Very high	61 Å²	61	69.7 Å²	69.7	50%	0.504	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	127.2	175.8	0	0	0	0	0	109.6	W54 Y56	W54-A66 HydrophobicContact CE3-CB 4.1Å; W54-A66 HydrophobicContact CZ3-CB 4.12Å; Y56-A66 HydrophobicContact CD1-CB 4.28Å; Y56-A66 HydrophobicContact CE1-CB 4.03Å
67	L	98	Very high	97.1	Very high	41 Å²	41	72.9 Å²	72.9	22%	0.215	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-53.3	-178.5	-179.5	64.2	0	0	0	110.6	W55 Q57 K65 L81 L94 Y107	W55-L67 WeakPolarHBondContact O-CA 3.36Å; W55-L67 WeakPolarHBondContact O-CB 3.49Å; W55-L67 PolarHBondContact O-N 3.12Å; Q57-L67 HydrophobicContact CB-CB 4.36Å; Q57-L67 HydrophobicContact CB-CD2 4.35Å; K65-L67 PolarHBondContact O-N 2.87Å; L67-L81 HydrophobicContact CD1-CD1 3.69Å; L67-L81 HydrophobicContact CD1-CD2 4.42Å; L67-L81 HydrophobicContact CD2-CD1 4.37Å; L67-L81 HydrophobicContact CD2-CD2 4.12Å; L67-L81 HydrophobicContact CG-CD1 3.76Å; L67-L81 HydrophobicContact CG-CD2 4.4Å; L67-L94 HydrophobicContact CD2-CD2 3.86Å; L67-Y107 HydrophobicContact CD2-CD1 3.96Å; L67-Y107 HydrophobicContact CD2-CE1 3.7Å
68	I	98.3	Very high	97.1	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.026	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	149.3	179.1	-175.2	164.2	0	0	0	110.1	W55 K76 E78 L81 V83 L94	W55-I68 HydrophobicContact CB-CG2 3.96Å; W55-I68 PolarHBondContact N-O 2.85Å; W55-I68 PolarHBondContact O-N 3.43Å; I68-K76 HydrophobicContact CD1-CD 4.27Å; I68-K76 HydrophobicContact CD1-CG 4.34Å; I68-K76 HydrophobicContact CG1-CD 4.25Å; I68-E78 HydrophobicContact CD1-CB 3.88Å; I68-L81 HydrophobicContact CB-CD1 4.36Å; I68-L81 HydrophobicContact CD1-CB 4.24Å; I68-L81 HydrophobicContact CG2-CD1 4.44Å; I68-V83 HydrophobicContact CB-CG2 4.39Å; I68-V83 HydrophobicContact CD1-CG2 3.94Å; I68-V83 HydrophobicContact CG1-CG2 4.1Å; I68-V83 HydrophobicContact CG2-CG2 3.44Å; I68-V83 VanDerWaalsContact CG2-CG2 3.44Å; I68-L94 HydrophobicContact CG2-CD1 3.93Å
69	S	97.1	Very high	97.1	Very high	13 Å²	13	76.7 Å²	76.7	9%	0.091	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.5	175.3	60.6	0	0	0	0	113.1	I53 K76	I53-S69 CarbonylContact O-C 3.6Å; I53-S69 WeakPolarHBondContact O-CA 3.48Å; I53-S69 VanDerWaalsContact O-CB 3.31Å; I53-S69 WeakPolarHBondContact O-CB 3.36Å; S69-K76 WeakPolarHBondContact O-CD 3.38Å; S69-K76 PolarHBondContact O-NZ 2.91Å
70	I	96.5	Very high	97.1	Very high	10 Å²	10	76.8 Å²	76.8	5%	0.051	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.9	175.9	-169.4	166.2	0	0	0	109.8	I53 S72 K76 V83 L85 V92	I53-I70 HydrophobicContact CB-CG2 3.87Å; I53-I70 HydrophobicContact CG1-CG2 4.37Å; I53-I70 HydrophobicContact CG2-CG2 4.38Å; I53-I70 PolarHBondContact N-O 3.02Å; I53-I70 PolarHBondContact O-N 2.9Å; I70-S72 WeakPolarHBondContact CG1-O 3.24Å; I70-K76 HydrophobicContact CD1-CB 3.99Å; I70-K76 HydrophobicContact CG1-CB 4.36Å; I70-V83 HydrophobicContact CB-CG1 4.23Å; I70-V83 HydrophobicContact CD1-CG1 4.44Å; I70-V83 HydrophobicContact CG2-CG1 3.56Å; I70-L85 HydrophobicContact CD1-CB 3.88Å; I70-L85 HydrophobicContact CG1-CB 4.33Å; I70-L85 HydrophobicContact CG1-CD2 4.47Å; I70-L85 HydrophobicContact CG2-CB 3.97Å; I70-L85 HydrophobicContact CG2-CD2 4.11Å; I70-V92 HydrophobicContact CG2-CG2 4.43Å
71	F	93.5	Very high	97.2	Very high	104 Å²	104	72.4 Å²	72.4	46%	0.456	43%	0.426	S	S	.	.			trans	-117.8	-34	-175.6	-52.8	-84.8	0	0	0	111.7	S52 W54 R87	S52-F71 VanDerWaalsContact CB-CD1 3.49Å; S52-F71 VanDerWaalsContact CB-CE1 3.43Å; W54-F71 HydrophobicContact CZ2-CE1 4.39Å; W54-F71 AromaticContact CZ2-CZ 3.99Å; W54-F71 HydrophobicContact CZ2-CZ 3.99Å; F71-R87 PolarHBondContact O-NE 3.05Å; F71-R87 PolarHBondContact O-NH2 2.96Å
72	S	92.8	Very high	97.2	Very high	90 Å²	90	68.6 Å²	68.6	63%	0.629	39%	0.386	S	S	*	.	S	Bend	trans	-100.7	147.6	-178.8	-52.7	0	0	0	0	111.6	I70	I70-S72 WeakPolarHBondContact CG1-O 3.24Å
73	N	95.5	Very high	97.3	Very high	98 Å²	98	62.2 Å²	62.2	52%	0.524	36%	0.358	S	S	.	.	S	Bend	trans	-56.2	140.4	171.9	-167.7	70.4	0	0	0	110.6	L85 N86 R87	N73-L85 PolarHBondContact OD1-O 2.85Å; N73-L85 VanDerWaalsContact OD1-O 3.1Å; N73-N86 VanDerWaalsContact OD1-CA 3.29Å; N73-N86 WeakPolarHBondContact OD1-CA 3.01Å; N73-R87 HydrophobicContact CB-CG 4.28Å; N73-R87 PolarHBondContact OD1-N 3.22Å
74	G	96.7	Very high	97.3	Very high	34 Å²	34	64.5 Å²	64.5	35%	0.351	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	125.3	-142.5	-177.1	0	0	0	0	0	112.1	Y84 L85	G74-Y84 CarbonylContact O-C 3.56Å; G74-L85 PolarHBondContact N-O 2.86Å; G74-L85 PolarHBondContact O-N 2.85Å
75	N	97.6	Very high	97.3	Very high	109 Å²	109	61.4 Å²	61.4	58%	0.583	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.1	178.3	66.6	63.8	0	0	0	112.4	V83 Y84	N75-V83 CarbonylContact C-O 3.57Å; N75-V83 WeakPolarHBondContact CA-O 3.05Å; N75-V83 WeakPolarHBondContact CB-O 3.17Å; N75-Y84 HydrophobicContact CB-CD1 3.63Å; N75-Y84 HydrophobicContact CB-CE1 3.9Å; N75-Y84 HydrophobicContact CB-CG 4.34Å
76	K	98.1	Very high	97.2	Very high	76 Å²	76	58 Å²	58	33%	0.33	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.3	171.5	-177.2	-177	173	-179.6	0	108.7	I68 S69 I70 T82 V83	I68-K76 HydrophobicContact CD1-CD 4.27Å; I68-K76 HydrophobicContact CD1-CG 4.34Å; I68-K76 HydrophobicContact CG1-CD 4.25Å; S69-K76 WeakPolarHBondContact O-CD 3.38Å; S69-K76 PolarHBondContact O-NZ 2.91Å; I70-K76 HydrophobicContact CD1-CB 3.99Å; I70-K76 HydrophobicContact CG1-CB 4.36Å; K76-T82 CarbonylContact O-C 3.51Å; K76-T82 WeakPolarHBondContact O-CA 3.41Å; K76-V83 PolarHBondContact N-O 2.84Å; K76-V83 PolarHBondContact O-N 2.04Å
77	K	98.3	Very high	97	Very high	138 Å²	138	58.2 Å²	58.2	60%	0.6	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.8	177.9	-175.4	-180	178.2	-169.5	0	110.2	G79 L81 T82	K77-G79 WeakPolarHBondContact CE-O 3.32Å; K77-L81 WeakPolarHBondContact CA-O 3.31Å; K77-L81 WeakPolarHBondContact CG-O 3.4Å; K77-T82 HydrophobicContact CB-CG2 4.39Å
78	E	98	Very high	96.8	Very high	104 Å²	104	61 Å²	61	49%	0.486	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	107.5	176	-168.2	165.1	175.8	0	0	109.4	I68 R80 L81	I68-E78 HydrophobicContact CD1-CB 3.88Å; E78-R80 PolarHBondContact O-N 2.8Å; E78-R80 VanDerWaalsContact O-N 3.14Å; E78-L81 PolarHBondContact N-O 3.1Å; E78-L81 VanDerWaalsContact O-CB 3.32Å; E78-L81 WeakPolarHBondContact O-CB 3.35Å; E78-L81 PolarHBondContact O-N 2.94Å
79	G	97.6	Very high	96.6	Very high	67 Å²	67	64 Å²	64	69%	0.691	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-118.4	-172.5	0	0	0	0	0	112.3	K77	K77-G79 WeakPolarHBondContact CE-O 3.32Å
80	R	98.1	Very high	96.6	Very high	65 Å²	65	65.5 Å²	65.5	25%	0.245	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.1	177.5	-62.9	-172.1	-60.9	111.3	-2.9	113.7	E78 K97 D98 D103	E78-R80 PolarHBondContact O-N 2.8Å; E78-R80 VanDerWaalsContact O-N 3.14Å; R80-K97 WeakPolarHBondContact CD-O 3.12Å; R80-K97 PolarHBondContact NH1-O 2.91Å; R80-K97 PolarHBondContact O-N 2.91Å; R80-D98 PolarHBondContact NH1-O 3.17Å; R80-D103 IonicContact CZ-OD1 3.76Å; R80-D103 IonicContact CZ-OD2 3.39Å; R80-D103 IonicContact NH1-OD1 2.75Å; R80-D103 IonicContact NH1-OD2 3.8Å; R80-D103 PolarHBondContact NH1-OD2 2.79Å; R80-D103 IonicContact NH2-OD1 2.78Å; R80-D103 PolarHBondContact NH2-OD1 3.04Å; R80-D103 IonicContact NH2-OD2 3.12Å; R80-D103 PolarHBondContact NH2-OD2 3.42Å; R80-D103 VanDerWaalsContact NH2-OD2 3.12Å
81	L	98.6	Very high	96.6	Very high	24 Å²	24	67.9 Å²	67.9	13%	0.126	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.1	-177	-52.1	169.8	0	0	0	110.2	L67 I68 K77 E78 L94 H95 I96	L67-L81 HydrophobicContact CD1-CD1 3.69Å; L67-L81 HydrophobicContact CD1-CD2 4.42Å; L67-L81 HydrophobicContact CD2-CD1 4.37Å; L67-L81 HydrophobicContact CD2-CD2 4.12Å; L67-L81 HydrophobicContact CG-CD1 3.76Å; L67-L81 HydrophobicContact CG-CD2 4.4Å; I68-L81 HydrophobicContact CB-CD1 4.36Å; I68-L81 HydrophobicContact CD1-CB 4.24Å; I68-L81 HydrophobicContact CG2-CD1 4.44Å; K77-L81 WeakPolarHBondContact CA-O 3.31Å; K77-L81 WeakPolarHBondContact CG-O 3.4Å; E78-L81 PolarHBondContact N-O 3.1Å; E78-L81 VanDerWaalsContact O-CB 3.32Å; E78-L81 WeakPolarHBondContact O-CB 3.35Å; E78-L81 PolarHBondContact O-N 2.94Å; L81-L94 HydrophobicContact CB-CD1 4.4Å; L81-L94 HydrophobicContact CD2-CD1 4.31Å; L81-H95 CarbonylContact C-O 3.53Å; L81-H95 WeakPolarHBondContact CA-O 3.22Å; L81-I96 HydrophobicContact CD2-CB 4.35Å; L81-I96 HydrophobicContact CD2-CD1 4.16Å; L81-I96 HydrophobicContact CD2-CG1 3.78Å; L81-I96 HydrophobicContact CD2-CG2 4.05Å
82	T	98.7	Very high	96.8	Very high	8 Å²	8	63 Å²	63	5%	0.049	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.3	166.6	-49.8	0	0	0	0	109.3	K76 K77 Y84 H95	K76-T82 CarbonylContact O-C 3.51Å; K76-T82 WeakPolarHBondContact O-CA 3.41Å; K77-T82 HydrophobicContact CB-CG2 4.39Å; T82-Y84 HydrophobicContact CG2-CD2 4.24Å; T82-Y84 HydrophobicContact CG2-CE1 4.1Å; T82-Y84 HydrophobicContact CG2-CE2 3.52Å; T82-Y84 VanDerWaalsContact CG2-CZ 3.44Å; T82-H95 PolarHBondContact N-O 2.76Å; T82-H95 PolarHBondContact O-N 2.74Å
83	V	98.4	Very high	97	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.6	174.8	180	0	0	0	0	109	I68 I70 N75 K76 V92 S93 L94	I68-V83 HydrophobicContact CB-CG2 4.39Å; I68-V83 HydrophobicContact CD1-CG2 3.94Å; I68-V83 HydrophobicContact CG1-CG2 4.1Å; I68-V83 HydrophobicContact CG2-CG2 3.44Å; I68-V83 VanDerWaalsContact CG2-CG2 3.44Å; I70-V83 HydrophobicContact CB-CG1 4.23Å; I70-V83 HydrophobicContact CD1-CG1 4.44Å; I70-V83 HydrophobicContact CG2-CG1 3.56Å; N75-V83 CarbonylContact C-O 3.57Å; N75-V83 WeakPolarHBondContact CA-O 3.05Å; N75-V83 WeakPolarHBondContact CB-O 3.17Å; K76-V83 PolarHBondContact N-O 2.84Å; K76-V83 PolarHBondContact O-N 2.04Å; V83-V92 HydrophobicContact CG1-CG2 3.42Å; V83-V92 VanDerWaalsContact CG1-CG2 3.42Å; V83-S93 CarbonylContact C-O 3.56Å; V83-S93 WeakPolarHBondContact CA-O 3.37Å; V83-L94 HydrophobicContact CG2-CD1 3.71Å
84	Y	98.3	Very high	97.2	Very high	96 Å²	96	54.5 Å²	54.5	38%	0.376	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.1	175.5	-59.6	-91.6	0	0	0	108.8	G74 N75 T82 V92 S93 H95	G74-Y84 CarbonylContact O-C 3.56Å; N75-Y84 HydrophobicContact CB-CD1 3.63Å; N75-Y84 HydrophobicContact CB-CE1 3.9Å; N75-Y84 HydrophobicContact CB-CG 4.34Å; T82-Y84 HydrophobicContact CG2-CD2 4.24Å; T82-Y84 HydrophobicContact CG2-CE1 4.1Å; T82-Y84 HydrophobicContact CG2-CE2 3.52Å; T82-Y84 VanDerWaalsContact CG2-CZ 3.44Å; Y84-V92 CarbonylContact O-C 3.51Å; Y84-V92 WeakPolarHBondContact O-CA 3.44Å; Y84-V92 WeakPolarHBondContact O-CG2 3.24Å; Y84-S93 PolarHBondContact N-O 3.43Å; Y84-S93 PolarHBondContact O-N 3.28Å; Y84-H95 HydrophobicContact CE2-CB 4.35Å; Y84-H95 AromaticContact CE2-CG 3.92Å; Y84-H95 AromaticContact CE2-ND1 3.9Å
85	L	97.4	Very high	97.3	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.7	175.5	173.9	58	0	0	0	109.8	F45 I53 I70 N73 G74 R87 V92	F45-L85 HydrophobicContact CE1-CD1 4.08Å; F45-L85 HydrophobicContact CZ-CD1 4.05Å; I53-L85 HydrophobicContact CG1-CD1 4.09Å; I53-L85 HydrophobicContact CG1-CD2 4.02Å; I70-L85 HydrophobicContact CD1-CB 3.88Å; I70-L85 HydrophobicContact CG1-CB 4.33Å; I70-L85 HydrophobicContact CG1-CD2 4.47Å; I70-L85 HydrophobicContact CG2-CB 3.97Å; I70-L85 HydrophobicContact CG2-CD2 4.11Å; N73-L85 PolarHBondContact OD1-O 2.85Å; N73-L85 VanDerWaalsContact OD1-O 3.1Å; G74-L85 PolarHBondContact N-O 2.86Å; G74-L85 PolarHBondContact O-N 2.85Å; L85-R87 HydrophobicContact CD1-CG 4.19Å; L85-R87 HydrophobicContact CD2-CG 4.1Å; L85-R87 HydrophobicContact CG-CG 4.03Å; L85-V92 HydrophobicContact CB-CG2 4.36Å; L85-V92 HydrophobicContact CD1-CB 4.11Å
86	N	96.1	Very high	97.3	Very high	72 Å²	72	49.5 Å²	49.5	39%	0.385	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	102.3	167	-174.9	-14.9	0	0	0	109.6	N73 A88 S89 L90 H91	N73-N86 VanDerWaalsContact OD1-CA 3.29Å; N73-N86 WeakPolarHBondContact OD1-CA 3.01Å; N86-A88 WeakPolarHBondContact OD1-CB 3.45Å; N86-A88 PolarHBondContact OD1-N 2.81Å; N86-S89 WeakPolarHBondContact CB-OG 2.99Å; N86-S89 PolarHBondContact ND2-OG 3.12Å; N86-S89 PolarHBondContact O-N 3.07Å; N86-S89 PolarHBondContact O-OG 2.65Å; N86-S89 PolarHBondContact OD1-N 3.01Å; N86-L90 PolarHBondContact O-N 2.67Å; N86-L90 VanDerWaalsContact O-N 3.1Å; N86-H91 PolarHBondContact N-O 3.03Å; N86-H91 PolarHBondContact O-N 3.39Å
87	R	93.1	Very high	97.3	Very high	64 Å²	64	50.3 Å²	50.3	24%	0.242	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.6	179	-69.5	-175.9	165.5	-80.8	-1.2	112.7	S50 Q51 F71 N73 L85 S89 L90	S50-R87 PolarHBondContact O-NH1 2.92Å; S50-R87 PolarHBondContact O-NH2 2.82Å; Q51-R87 PolarHBondContact O-NH2 2.96Å; F71-R87 PolarHBondContact O-NE 3.05Å; F71-R87 PolarHBondContact O-NH2 2.96Å; N73-R87 HydrophobicContact CB-CG 4.28Å; N73-R87 PolarHBondContact OD1-N 3.22Å; L85-R87 HydrophobicContact CD1-CG 4.19Å; L85-R87 HydrophobicContact CD2-CG 4.1Å; L85-R87 HydrophobicContact CG-CG 4.03Å; R87-S89 VanDerWaalsContact C-N 3.27Å; R87-S89 PolarHBondContact O-N 3.21Å; R87-L90 WeakPolarHBondContact O-CD2 3.33Å; R87-L90 PolarHBondContact O-N 3.1Å
88	A	93.8	Very high	97.3	Very high	101 Å²	101	48.5 Å²	48.5	84%	0.835	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.5	178.7	0	0	0	0	0	111.8	N86	N86-A88 WeakPolarHBondContact OD1-CB 3.45Å; N86-A88 PolarHBondContact OD1-N 2.81Å
89	S	95.4	Very high	97.3	Very high	67 Å²	67	43.9 Å²	43.9	47%	0.469	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.8	175.1	67.2	0	0	0	0	113.9	N86 R87 H91	N86-S89 WeakPolarHBondContact CB-OG 2.99Å; N86-S89 PolarHBondContact ND2-OG 3.12Å; N86-S89 PolarHBondContact O-N 3.07Å; N86-S89 PolarHBondContact O-OG 2.65Å; N86-S89 PolarHBondContact OD1-N 3.01Å; R87-S89 VanDerWaalsContact C-N 3.27Å; R87-S89 PolarHBondContact O-N 3.21Å; S89-H91 PolarHBondContact O-N 2.78Å; S89-H91 WeakPolarHBondContact OG-CB 3.14Å
90	L	95.3	Very high	97.4	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.23	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	46.5	-175.1	-54	175	0	0	0	113	S44 F45 N86 R87	S44-L90 VanDerWaalsContact CA-O 3.31Å; S44-L90 WeakPolarHBondContact CA-O 3.2Å; F45-L90 WeakPolarHBondContact CD1-O 3.41Å; F45-L90 HydrophobicContact CD2-CB 4.11Å; F45-L90 HydrophobicContact CD2-CD2 4.12Å; F45-L90 WeakPolarHBondContact CE1-O 3.48Å; F45-L90 HydrophobicContact CE2-CB 3.98Å; F45-L90 HydrophobicContact CE2-CD2 3.56Å; F45-L90 HydrophobicContact CE2-CG 4.38Å; F45-L90 HydrophobicContact CG-CB 4.44Å; F45-L90 HydrophobicContact CZ-CB 4.19Å; F45-L90 HydrophobicContact CZ-CD2 4.21Å; F45-L90 PolarHBondContact N-O 3.47Å; F45-L90 WeakPolarHBondContact O-CB 3.44Å; N86-L90 PolarHBondContact O-N 2.67Å; N86-L90 VanDerWaalsContact O-N 3.1Å; R87-L90 WeakPolarHBondContact O-CD2 3.33Å; R87-L90 PolarHBondContact O-N 3.1Å
91	H	96.8	Very high	97.3	Very high	61 Å²	61	46.5 Å²	46.5	28%	0.282	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.1	-172.4	-172.6	89.8	0	0	0	111.1	N42 N86 S89	N42-H91 PolarHBondContact OD1-CE1 2.7Å; N42-H91 PolarHBondContact OD1-NE2 2.83Å; N86-H91 PolarHBondContact N-O 3.03Å; N86-H91 PolarHBondContact O-N 3.39Å; S89-H91 PolarHBondContact O-N 2.78Å; S89-H91 WeakPolarHBondContact OG-CB 3.14Å
92	V	97.6	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.8	170.4	64.6	0	0	0	0	110.6	N42 C43 I53 I70 V83 Y84 L85	N42-V92 CarbonylContact C-O 3.53Å; C43-V92 HydrophobicContact CB-CG1 3.53Å; C43-V92 PolarHBondContact N-O 3.33Å; C43-V92 PolarHBondContact O-N 2.85Å; C43-V92 VanDerWaalsContact O-O 3.1Å; I53-V92 HydrophobicContact CG2-CB 4.23Å; I53-V92 HydrophobicContact CG2-CG1 3.76Å; I53-V92 HydrophobicContact CG2-CG2 4Å; I70-V92 HydrophobicContact CG2-CG2 4.43Å; V83-V92 HydrophobicContact CG1-CG2 3.42Å; V83-V92 VanDerWaalsContact CG1-CG2 3.42Å; Y84-V92 CarbonylContact O-C 3.51Å; Y84-V92 WeakPolarHBondContact O-CA 3.44Å; Y84-V92 WeakPolarHBondContact O-CG2 3.24Å; L85-V92 HydrophobicContact CB-CG2 4.36Å; L85-V92 HydrophobicContact CD1-CB 4.11Å
93	S	98.4	Very high	97.2	Very high	10 Å²	10	49.1 Å²	49.1	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.6	171.2	70.9	0	0	0	0	111.8	L41 N42 V83 Y84 H95	L41-S93 CarbonylContact O-C 3.36Å; L41-S93 WeakPolarHBondContact O-CA 3.33Å; L41-S93 WeakPolarHBondContact O-CB 3.48Å; N42-S93 WeakPolarHBondContact OD1-CB 3.48Å; V83-S93 CarbonylContact C-O 3.56Å; V83-S93 WeakPolarHBondContact CA-O 3.37Å; Y84-S93 PolarHBondContact N-O 3.43Å; Y84-S93 PolarHBondContact O-N 3.28Å; S93-H95 PolarHBondContact OG-NE2 3.31Å
94	L	98.8	Very high	97.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.9	169.8	171	65.9	0	0	0	108.8	L41 W55 L67 I68 L81 V83 I96 Y107	L41-L94 HydrophobicContact CB-CB 4.44Å; L41-L94 HydrophobicContact CD1-CD2 4.32Å; L41-L94 PolarHBondContact N-O 3.49Å; L41-L94 PolarHBondContact O-N 2.84Å; W55-L94 HydrophobicContact CB-CD2 4.06Å; W55-L94 HydrophobicContact CD2-CB 3.69Å; W55-L94 HydrophobicContact CD2-CD2 3.73Å; W55-L94 HydrophobicContact CD2-CG 4.31Å; W55-L94 VanDerWaalsContact CE2-CB 3.46Å; W55-L94 HydrophobicContact CE3-CB 4.22Å; W55-L94 HydrophobicContact CE3-CD2 3.8Å; W55-L94 HydrophobicContact CG-CB 4.05Å; W55-L94 HydrophobicContact CG-CD2 3.85Å; W55-L94 HydrophobicContact CG-CG 4.4Å; W55-L94 HydrophobicContact CH2-CB 4.31Å; W55-L94 HydrophobicContact CZ2-CB 3.8Å; L67-L94 HydrophobicContact CD2-CD2 3.86Å; I68-L94 HydrophobicContact CG2-CD1 3.93Å; L81-L94 HydrophobicContact CB-CD1 4.4Å; L81-L94 HydrophobicContact CD2-CD1 4.31Å; V83-L94 HydrophobicContact CG2-CD1 3.71Å; L94-I96 HydrophobicContact CD2-CD1 4.46Å; L94-I96 HydrophobicContact CG-CG1 4.29Å; L94-Y107 HydrophobicContact CD2-CD1 4.03Å; L94-Y107 HydrophobicContact CD2-CE1 4.47Å
95	H	98.7	Very high	97.1	Very high	37 Å²	37	50.6 Å²	50.6	17%	0.171	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.1	175	-70.9	-151.5	0	0	0	109.6	V39 S40 L81 T82 Y84 S93	V39-H95 VanDerWaalsContact O-CA 3.24Å; V39-H95 WeakPolarHBondContact O-CA 3.19Å; S40-H95 PolarHBondContact OG-NE2 2.47Å; S40-H95 VanDerWaalsContact OG-NE2 3.12Å; L81-H95 CarbonylContact C-O 3.53Å; L81-H95 WeakPolarHBondContact CA-O 3.22Å; T82-H95 PolarHBondContact N-O 2.76Å; T82-H95 PolarHBondContact O-N 2.74Å; Y84-H95 HydrophobicContact CE2-CB 4.35Å; Y84-H95 AromaticContact CE2-CG 3.92Å; Y84-H95 AromaticContact CE2-ND1 3.9Å; S93-H95 PolarHBondContact OG-NE2 3.31Å
96	I	98.6	Very high	97.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.4	174.7	-43.8	-178.9	0	0	0	107.1	M38 V39 L81 L94 Y107	M38-I96 CarbonylContact C-O 3.56Å; M38-I96 WeakPolarHBondContact CA-O 3.49Å; V39-I96 HydrophobicContact CB-CB 3.98Å; V39-I96 HydrophobicContact CB-CG1 4.26Å; V39-I96 HydrophobicContact CG1-CD1 4.5Å; V39-I96 HydrophobicContact CG2-CB 4.39Å; V39-I96 PolarHBondContact N-O 3.09Å; V39-I96 PolarHBondContact O-N 2.84Å; L81-I96 HydrophobicContact CD2-CB 4.35Å; L81-I96 HydrophobicContact CD2-CD1 4.16Å; L81-I96 HydrophobicContact CD2-CG1 3.78Å; L81-I96 HydrophobicContact CD2-CG2 4.05Å; L94-I96 HydrophobicContact CD2-CD1 4.46Å; L94-I96 HydrophobicContact CG-CG1 4.29Å; I96-Y107 HydrophobicContact CD1-CD1 4.42Å; I96-Y107 HydrophobicContact CD1-CE1 3.53Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.24Å
97	K	98.4	Very high	97.3	Very high	94 Å²	94	52 Å²	52	41%	0.409	31%	0.306	S	S	.	.	S	Bend	trans	-81.3	158.1	175.6	-68.5	-171.9	175.2	-167.6	0	111.1	R80 S99	R80-K97 WeakPolarHBondContact CD-O 3.12Å; R80-K97 PolarHBondContact NH1-O 2.91Å; R80-K97 PolarHBondContact O-N 2.91Å; K97-S99 PolarHBondContact O-N 3.42Å
98	D	98.2	Very high	97.5	Very high	100 Å²	100	51.9 Å²	51.9	54%	0.535	31%	0.31	S	S	.	.	S	Bend	trans	47.7	60.5	173.6	-47.3	-43.3	0	0	0	110.9	R80 Q100	R80-D98 PolarHBondContact NH1-O 3.17Å; D98-Q100 WeakPolarHBondContact O-CG 3.42Å
99	S	97.9	Very high	97.7	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.042	27%	0.274	C	S	.	.			trans	-51.3	139.3	-175.9	57.5	0	0	0	0	111.7	P34 E35 G36 A37 K97 D103	P34-S99 PolarHBondContact O-OG 3.08Å; E35-S99 WeakPolarHBondContact CA-OG 3.42Å; E35-S99 VanDerWaalsContact CG-O 3.24Å; E35-S99 WeakPolarHBondContact CG-O 3.34Å; G36-S99 PolarHBondContact N-O 3.01Å; G36-S99 PolarHBondContact N-OG 3Å; A37-S99 PolarHBondContact N-OG 2.75Å; A37-S99 VanDerWaalsContact N-OG 3.11Å; A37-S99 VanDerWaalsContact O-CB 3.24Å; A37-S99 WeakPolarHBondContact O-CB 3.47Å; A37-S99 PolarHBondContact O-N 3.24Å; A37-S99 PolarHBondContact O-OG 3.11Å; A37-S99 VanDerWaalsContact O-OG 3.11Å; K97-S99 PolarHBondContact O-N 3.42Å; S99-D103 WeakPolarHBondContact CA-OD2 3.4Å
100	Q	98.1	Very high	97.7	Very high	89 Å²	89	46.1 Å²	46.1	42%	0.416	27%	0.266	S	S	.	.			trans	-124.4	158.1	-179.2	-61.4	178	19.6	0	0	110.3	D98 S102 D103	D98-Q100 WeakPolarHBondContact O-CG 3.42Å; Q100-S102 PolarHBondContact O-N 2.8Å; Q100-S102 VanDerWaalsContact O-N 3.1Å; Q100-D103 PolarHBondContact N-OD2 2.95Å; Q100-D103 VanDerWaalsContact O-CB 3.27Å; Q100-D103 WeakPolarHBondContact O-CB 3.36Å; Q100-D103 PolarHBondContact O-N 2.88Å
101	P	97.2	Very high	97.6	Very high	98 Å²	98	45.1 Å²	45.1	64%	0.636	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-54	-32.5	176.1	-28.5	36.1	0	0	0	113.9	D103 S104	P101-D103 PolarHBondContact O-N 2.81Å; P101-S104 WeakPolarHBondContact O-CB 3.29Å; P101-S104 PolarHBondContact O-N 3.01Å
102	S	96.4	Very high	97	Very high	68 Å²	68	46.4 Å²	46.4	48%	0.476	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.3	176.2	57.5	0	0	0	0	114.5	H59 Q100 S104	H59-S102 PolarHBondContact NE2-O 2.91Å; Q100-S102 PolarHBondContact O-N 2.8Å; Q100-S102 VanDerWaalsContact O-N 3.1Å; S102-S104 PolarHBondContact O-N 2.94Å
103	D	97.6	Very high	96.9	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.107	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-79.3	-7.1	178	-59.4	-27.1	0	0	0	112	R80 S99 Q100 P101 A105 Y107	R80-D103 IonicContact CZ-OD1 3.76Å; R80-D103 IonicContact CZ-OD2 3.39Å; R80-D103 IonicContact NH1-OD1 2.75Å; R80-D103 IonicContact NH1-OD2 3.8Å; R80-D103 PolarHBondContact NH1-OD2 2.79Å; R80-D103 IonicContact NH2-OD1 2.78Å; R80-D103 PolarHBondContact NH2-OD1 3.04Å; R80-D103 IonicContact NH2-OD2 3.12Å; R80-D103 PolarHBondContact NH2-OD2 3.42Å; R80-D103 VanDerWaalsContact NH2-OD2 3.12Å; S99-D103 WeakPolarHBondContact CA-OD2 3.4Å; Q100-D103 PolarHBondContact N-OD2 2.95Å; Q100-D103 VanDerWaalsContact O-CB 3.27Å; Q100-D103 WeakPolarHBondContact O-CB 3.36Å; Q100-D103 PolarHBondContact O-N 2.88Å; P101-D103 PolarHBondContact O-N 2.81Å; D103-A105 PolarHBondContact O-N 2.87Å; D103-A105 VanDerWaalsContact O-N 3.07Å; D103-Y107 VanDerWaalsContact O-CE2 3.31Å; D103-Y107 WeakPolarHBondContact O-CE2 3.31Å; D103-Y107 PolarHBondContact O-OH 2.96Å
104	S	97.9	Very high	96.9	Very high	97 Å²	97	50.8 Å²	50.8	68%	0.678	30%	0.303	S	S	*	.			trans	-68.8	104.2	174.8	-167.9	0	0	0	0	110.7	P101 S102	P101-S104 WeakPolarHBondContact O-CB 3.29Å; P101-S104 PolarHBondContact O-N 3.01Å; S102-S104 PolarHBondContact O-N 2.94Å
105	A	98.1	Very high	96.8	Very high	29 Å²	29	53.6 Å²	53.6	24%	0.24	32%	0.32	C	S	.	.	S	Bend	trans	-163.6	169.1	-174.4	0	0	0	0	0	110.8	Q57 Q58 D103 Y107	Q57-A105 HydrophobicContact CG-CB 3.48Å; Q57-A105 VanDerWaalsContact CG-CB 3.48Å; Q58-A105 WeakPolarHBondContact O-CB 3.44Å; D103-A105 PolarHBondContact O-N 2.87Å; D103-A105 VanDerWaalsContact O-N 3.07Å; A105-Y107 HydrophobicContact CB-CE2 4.05Å; A105-Y107 WeakPolarHBondContact O-CD2 3.29Å; A105-Y107 WeakPolarHBondContact O-CE2 3.4Å
106	V	98.4	Very high	96.7	Very high	80 Å²	80	54.6 Å²	54.6	49%	0.485	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.3	163.4	176.4	0	0	0	0	108.5	Q58 L108	Q58-V106 HydrophobicContact CB-CB 4.26Å; Q58-V106 PolarHBondContact N-O 2.83Å; Q58-V106 PolarHBondContact O-N 2.8Å; V106-L108 HydrophobicContact CG1-CD2 3.86Å; V106-L108 HydrophobicContact CG1-CG 4.12Å
107	Y	98.4	Very high	96.5	Very high	26 Å²	26	57.9 Å²	57.9	10%	0.102	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.1	177.3	-68.5	-97.3	0	0	0	110	Q26 L41 Y56 Q57 L67 L94 I96 D103 A105	Q26-Y107 PolarHBondContact NE2-O 3.07Å; L41-Y107 VanDerWaalsContact CD1-CB 3.46Å; L41-Y107 HydrophobicContact CD1-CD1 3.99Å; L41-Y107 HydrophobicContact CD1-CD2 3.89Å; L41-Y107 HydrophobicContact CD1-CG 3.51Å; Y56-Y107 VanDerWaalsContact O-CA 3.32Å; Y56-Y107 WeakPolarHBondContact O-CA 3.33Å; Q57-Y107 HydrophobicContact CB-CD1 4.46Å; Q57-Y107 HydrophobicContact CB-CE1 4.27Å; Q57-Y107 HydrophobicContact CG-CD1 4.45Å; Q57-Y107 HydrophobicContact CG-CE1 3.95Å; Q57-Y107 PolarHBondContact NE2-OH 2.86Å; L67-Y107 HydrophobicContact CD2-CD1 3.96Å; L67-Y107 HydrophobicContact CD2-CE1 3.7Å; L94-Y107 HydrophobicContact CD2-CD1 4.03Å; L94-Y107 HydrophobicContact CD2-CE1 4.47Å; I96-Y107 HydrophobicContact CD1-CD1 4.42Å; I96-Y107 HydrophobicContact CD1-CE1 3.53Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.24Å; D103-Y107 VanDerWaalsContact O-CE2 3.31Å; D103-Y107 WeakPolarHBondContact O-CE2 3.31Å; D103-Y107 PolarHBondContact O-OH 2.96Å; A105-Y107 HydrophobicContact CB-CE2 4.05Å; A105-Y107 WeakPolarHBondContact O-CD2 3.29Å; A105-Y107 WeakPolarHBondContact O-CE2 3.4Å
108	L	98.2	Very high	96.4	Very high	61 Å²	61	55.5 Å²	55.5	32%	0.319	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.5	-175.2	-56.8	170.4	0	0	0	109.9	W55 Y56 P64 V106	W55-L108 CarbonylContact C-O 3.59Å; W55-L108 WeakPolarHBondContact CA-O 3.26Å; Y56-L108 PolarHBondContact N-O 2.91Å; Y56-L108 PolarHBondContact O-N 2.83Å; P64-L108 HydrophobicContact CB-CD1 4.41Å; P64-L108 HydrophobicContact CG-CD1 4.11Å; V106-L108 HydrophobicContact CG1-CD2 3.86Å; V106-L108 HydrophobicContact CG1-CG 4.12Å
109	C	97.3	Very high	96.3	Very high	12 Å²	12	52.4 Å²	52.4	8%	0.081	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133	172	-178.9	0	0	0	0	108.9	V24 Q26 C43 W54 W55	V24-C109 HydrophobicContact CG1-CB 4.32Å; Q26-C109 HydrophobicContact CG-CB 3.93Å; C43-C109 HydrophobicContact CB-CB 3.5Å; C43-C109 WeakPolarHBondContact CB-SG 3.23Å; C43-C109 WeakPolarHBondContact SG-CB 3.34Å; C43-C109 CovalentContact SG-SG 2.04Å; C43-C109 PolarHBondContact SG-SG 3.11Å; W54-C109 CarbonylContact O-C 3.53Å; W54-C109 WeakPolarHBondContact O-CA 2.92Å; W55-C109 HydrophobicContact CD2-CB 4.46Å; W55-C109 HydrophobicContact CE3-CB 4.32Å; W55-C109 HydrophobicContact CH2-CB 4.04Å; W55-C109 HydrophobicContact CZ2-CB 4.17Å; W55-C109 HydrophobicContact CZ3-CB 4.11Å
110	A	95	Very high	96.1	Very high	36 Å²	36	55.9 Å²	55.9	30%	0.298	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.8	172.5	0	0	0	0	0	110	I53 W54 Y56	I53-A110 WeakPolarHBondContact CA-O 3.1Å; W54-A110 HydrophobicContact CB-CB 4.48Å; W54-A110 PolarHBondContact N-O 3.35Å; W54-A110 PolarHBondContact O-N 3.44Å; Y56-A110 HydrophobicContact CD2-CB 4.37Å; Y56-A110 HydrophobicContact CE2-CB 3.86Å
111	V	92.6	Very high	96	Very high	22 Å²	22	53.2 Å²	53.2	13%	0.133	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.1	-177.5	-59.2	0	0	0	0	108	E22 V24 F45 S52 I53	E22-V111 HydrophobicContact CG-CG2 3.78Å; E22-V111 VanDerWaalsContact OE1-CB 3.26Å; E22-V111 WeakPolarHBondContact OE1-CB 3.42Å; E22-V111 WeakPolarHBondContact OE1-CG2 3.4Å; V24-V111 HydrophobicContact CG2-CG1 4.4Å; V24-V111 HydrophobicContact CG2-CG2 3.32Å; F45-V111 HydrophobicContact CB-CG1 4.1Å; F45-V111 HydrophobicContact CB-CG2 4.23Å; F45-V111 HydrophobicContact CD1-CG1 4.16Å; F45-V111 HydrophobicContact CG-CG1 4.14Å; S52-V111 WeakPolarHBondContact O-CA 3.21Å; I53-V111 HydrophobicContact CD1-CB 4Å; I53-V111 HydrophobicContact CD1-CG1 3.34Å
112	S	84.8	Confident	95.9	Very high	89 Å²	89	49.1 Å²	49.1	62%	0.622	32%	0.322	S	S	*	.			trans	-157.4	0	-179.2	69.9	0	0	0	0	111.7	S50 Q51 S52	S50-S112 CarbonylContact C-O 3.58Å; S50-S112 WeakPolarHBondContact CA-O 3.19Å; Q51-S112 WeakPolarHBondContact CA-O 3.28Å; Q51-S112 PolarHBondContact N-O 3.02Å; S52-S112 PolarHBondContact N-O 3.34Å; S52-S112 PolarHBondContact O-N 3.31Å; S52-S112 VanDerWaalsContact O-N 3.12Å; S52-S112 PolarHBondContact OG-OG 3.29Å

Retrieved 112 of 112 residues in 123.9 ms (Link to these results)

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