A0A075B6B4_MOUSE Loading...

T cell receptor alpha variable 6-4

AlphaFold DB , UniProt , Accession A0A075B6B4, Species MOUSE (Mus musculus, Mouse), Gene Trav6-4, Length 115 aa.

						>A0A075B6B4_MOUSE|A0A075B6B4|Trav6-4
MNTSPVLVTVMLLFMLGMRKTHGDSVTQKQGQVTLSEDDFLFINCTYSTTTYPTLLWYVQYLGQGPQLLLKVTTANNKGISRGFEATYDKGTTSFHLQKASVQESDSAVYFCALV
					

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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	39.6	Very low	67	Low	230 Å²	230	92.9 Å²	92.9	100%	1.133	53%	0.526	S	S	*	.				0	97.2	0	-71	157.3	122.4	0	0	106	T3	M1-T3 PolarHBondContact O-N 3.32Å
2	N	42.8	Very low	67.4	Low	168 Å²	168	85.7 Å²	85.7	90%	0.898	49%	0.485	S	S	*	.			trans	-86	92.3	175.1	-81.9	26.4	0	0	0	107.1	S4	N2-S4 PolarHBondContact O-N 3.43Å
3	T	54	Low	66.8	Low	129 Å²	129	86.8 Å²	86.8	79%	0.791	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-68.4	117	163.8	42.1	0	0	0	0	107	M1	M1-T3 PolarHBondContact O-N 3.32Å
4	S	62	Low	65.7	Low	104 Å²	104	86.6 Å²	86.6	73%	0.727	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-52.8	140.8	167.8	-73.9	0	0	0	0	109.2	N2 V6	N2-S4 PolarHBondContact O-N 3.43Å; S4-V6 PolarHBondContact O-N 2.82Å
5	P	67.6	Low	64.7	Low	95 Å²	95	90.8 Å²	90.8	62%	0.617	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-61.8	123.8	178.6	24.7	-31.8	0	0	0	109.3
6	V	75.3	Confident	63.8	Low	58 Å²	58	92.3 Å²	92.3	35%	0.352	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.7	169.8	180	0	0	0	0	107.2	S4 E37 E104	S4-V6 PolarHBondContact O-N 2.82Å; V6-E37 HydrophobicContact CB-CG 4.01Å; V6-E37 HydrophobicContact CG1-CG 4.18Å; V6-E37 PolarHBondContact O-N 3.26Å; V6-E37 VanDerWaalsContact O-N 3.11Å; V6-E104 HydrophobicContact CG1-CB 4.03Å; V6-E104 HydrophobicContact CG1-CG 4.06Å
7	L	81.2	Confident	62.7	Low	99 Å²	99	91.4 Å²	91.4	52%	0.518	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.6	-174.1	-64.9	173.1	0	0	0	110.7	T34 L35	L7-T34 HydrophobicContact CB-CG2 3.84Å; L7-T34 HydrophobicContact CD1-CG2 4.14Å; L7-T34 HydrophobicContact CD2-CG2 4.02Å; L7-T34 HydrophobicContact CG-CG2 4.22Å; L7-L35 CarbonylContact C-O 3.53Å; L7-L35 WeakPolarHBondContact CA-O 3.48Å
8	V	81.1	Confident	61.5	Low	0 Å²	0	94.4 Å²	94.4	0%	0	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.8	172.9	-173.7	0	0	0	0	109	V10 T34 L35 E37 V102 Q103 D106	V8-V10 HydrophobicContact CG1-CG2 4.28Å; V8-T34 WeakPolarHBondContact O-CA 3.22Å; V8-L35 PolarHBondContact N-O 2.91Å; V8-L35 PolarHBondContact O-N 2.99Å; V8-E37 HydrophobicContact CG2-CG 4.15Å; V8-V102 HydrophobicContact CB-CG2 4.19Å; V8-V102 HydrophobicContact CG1-CB 4.39Å; V8-V102 HydrophobicContact CG1-CG2 4.49Å; V8-V102 HydrophobicContact CG2-CB 4.19Å; V8-V102 HydrophobicContact CG2-CG2 3.77Å; V8-Q103 WeakPolarHBondContact CG2-O 3.28Å; V8-D106 HydrophobicContact CG1-CB 4.29Å
9	T	79.4	Confident	60.6	Low	53 Å²	53	100.7 Å²	100.7	33%	0.325	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.6	178.1	53.6	0	0	0	0	111.3	T34 S107 A108	T9-T34 HydrophobicContact CG2-CG2 4.39Å; T9-S107 PolarHBondContact N-OG 3.3Å; T9-S107 VanDerWaalsContact N-OG 3.08Å; T9-S107 CarbonylContact O-C 3.51Å; T9-S107 WeakPolarHBondContact O-CA 3.46Å; T9-S107 WeakPolarHBondContact O-CB 3.41Å; T9-A108 PolarHBondContact O-N 3.1Å
10	V	79.3	Confident	59.8	Low	1 Å²	1	106 Å²	106	1%	0.006	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.7	114.8	179.2	178.1	0	0	0	0	108.1	V8 L12 Q32 V33 L41 I43 Y110	V8-V10 HydrophobicContact CG1-CG2 4.28Å; V10-L12 HydrophobicContact CG1-CD2 3.85Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; V10-Q32 CarbonylContact O-C 3.58Å; V10-Q32 WeakPolarHBondContact O-CA 3.42Å; V10-V33 HydrophobicContact CB-CB 4.43Å; V10-V33 PolarHBondContact N-O 3.27Å; V10-V33 PolarHBondContact O-N 3.36Å; V10-L41 HydrophobicContact CG1-CD1 4.44Å; V10-L41 HydrophobicContact CG2-CD1 4.16Å; V10-I43 HydrophobicContact CG1-CD1 4Å; V10-Y110 HydrophobicContact CG1-CD2 3.7Å; V10-Y110 HydrophobicContact CG1-CE2 4.02Å; V10-Y110 HydrophobicContact CG2-CE2 4.34Å
11	M	74.3	Confident	59.3	Low	85 Å²	85	105.7 Å²	105.7	42%	0.419	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	135.8	174.5	-74.8	-169.9	-86.6	0	0	110.1	Q32 A108 V109 Y110	M11-Q32 HydrophobicContact CG-CB 4.45Å; M11-Q32 HydrophobicContact CG-CG 4.27Å; M11-A108 PolarHBondContact N-O 3.43Å; M11-V109 HydrophobicContact CB-CG1 4.45Å; M11-V109 HydrophobicContact CB-CG2 4.09Å; M11-V109 VanDerWaalsContact O-CA 3.27Å; M11-V109 WeakPolarHBondContact O-CA 3.44Å; M11-V109 WeakPolarHBondContact O-CG1 3.01Å; M11-Y110 PolarHBondContact O-N 3.11Å
12	L	72.6	Confident	60.3	Low	6 Å²	6	104.4 Å²	104.4	3%	0.031	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118	107	179.4	-50.2	173.7	0	0	0	108.3	V10 K29 G31 V33 I43	V10-L12 HydrophobicContact CG1-CD2 3.85Å; V10-L12 HydrophobicContact CG1-CG 4.47Å; L12-K29 WeakPolarHBondContact CB-O 3.35Å; L12-K29 HydrophobicContact CD1-CB 3.96Å; L12-K29 HydrophobicContact CD1-CD 4.37Å; L12-K29 HydrophobicContact CD1-CG 4.07Å; L12-K29 WeakPolarHBondContact CD1-O 3.4Å; L12-G31 WeakPolarHBondContact CB-O 3.26Å; L12-G31 PolarHBondContact N-O 2.85Å; L12-G31 PolarHBondContact O-N 3.09Å; L12-V33 HydrophobicContact CD1-CG2 4.25Å; L12-I43 HydrophobicContact CD1-CG2 4.1Å; L12-I43 HydrophobicContact CD2-CD1 3.81Å; L12-I43 HydrophobicContact CD2-CG1 4.24Å; L12-I43 HydrophobicContact CD2-CG2 3.56Å; L12-I43 HydrophobicContact CG-CG2 4.49Å
13	L	59.1	Low	61.6	Low	101 Å²	101	98.1 Å²	98.1	53%	0.529	53%	0.531	S	S	.	.			trans	-107.7	134.6	178.6	-77.6	170.8	0	0	0	110	V109 F111	L13-V109 HydrophobicContact CB-CG1 4.05Å; L13-V109 HydrophobicContact CD1-CG1 4.04Å; L13-V109 HydrophobicContact CG-CG1 4.19Å; L13-F111 HydrophobicContact CB-CE1 3.77Å; L13-F111 WeakPolarHBondContact O-CD1 3.43Å
14	F	51.4	Low	63.1	Low	83 Å²	83	95.3 Å²	95.3	36%	0.364	51%	0.512	S	S	.	.			trans	-83.7	113	177.3	-173.5	-127.6	0	0	0	109.8	L16 V26 Q30	F14-L16 HydrophobicContact CD1-CB 4.45Å; F14-L16 HydrophobicContact CD1-CD1 4.16Å; F14-L16 HydrophobicContact CD1-CD2 4.12Å; F14-L16 HydrophobicContact CD1-CG 3.53Å; F14-L16 HydrophobicContact CE1-CB 4.34Å; F14-L16 HydrophobicContact CE1-CD1 4.25Å; F14-L16 HydrophobicContact CE1-CD2 3.4Å; F14-L16 VanDerWaalsContact CE1-CD2 3.4Å; F14-L16 HydrophobicContact CE1-CG 3.33Å; F14-L16 HydrophobicContact CZ-CD2 4.22Å; F14-L16 HydrophobicContact CZ-CG 4.36Å; F14-L16 PolarHBondContact O-N 2.98Å; F14-V26 WeakPolarHBondContact CE2-O 3.21Å; F14-Q30 HydrophobicContact CB-CG 4.07Å; F14-Q30 VanDerWaalsContact CB-NE2 3.33Å
15	M	50.5	Low	64.4	Low	150 Å²	150	93.2 Å²	93.2	74%	0.739	50%	0.497	S	S	*	.			trans	-81	97.7	163.2	-69.4	-67.4	-81.1	0	0	107.7	G17 F111	M15-G17 VanDerWaalsContact C-N 3.28Å; M15-G17 PolarHBondContact O-N 3.2Å; M15-F111 HydrophobicContact CG-CD1 4.01Å; M15-F111 HydrophobicContact CG-CE1 4.25Å
16	L	50.9	Low	65.6	Low	114 Å²	114	90 Å²	90	60%	0.597	48%	0.475	S	S	*	.			trans	-58.6	92.7	164.3	-89.1	152.6	0	0	0	108.6	F14 M18	F14-L16 HydrophobicContact CD1-CB 4.45Å; F14-L16 HydrophobicContact CD1-CD1 4.16Å; F14-L16 HydrophobicContact CD1-CD2 4.12Å; F14-L16 HydrophobicContact CD1-CG 3.53Å; F14-L16 HydrophobicContact CE1-CB 4.34Å; F14-L16 HydrophobicContact CE1-CD1 4.25Å; F14-L16 HydrophobicContact CE1-CD2 3.4Å; F14-L16 VanDerWaalsContact CE1-CD2 3.4Å; F14-L16 HydrophobicContact CE1-CG 3.33Å; F14-L16 HydrophobicContact CZ-CD2 4.22Å; F14-L16 HydrophobicContact CZ-CG 4.36Å; F14-L16 PolarHBondContact O-N 2.98Å; L16-M18 HydrophobicContact CB-CG 3.81Å; L16-M18 HydrophobicContact CD2-CG 3.57Å; L16-M18 HydrophobicContact CD2-SD 3.92Å; L16-M18 HydrophobicContact CG-CG 4.17Å; L16-M18 PolarHBondContact O-N 2.9Å
17	G	45.6	Very low	66.4	Low	78 Å²	78	91.3 Å²	91.3	80%	0.804	48%	0.483	S	S	*	.			trans	-67	70.8	154.4	0	0	0	0	0	108.7	M15 R19	M15-G17 VanDerWaalsContact C-N 3.28Å; M15-G17 PolarHBondContact O-N 3.2Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.35Å
18	M	40.9	Very low	66.8	Low	145 Å²	145	87.4 Å²	87.4	71%	0.714	46%	0.463	S	S	*	.			trans	-71.2	85.8	176.4	-79.6	-96.5	-78.6	0	0	109.5	L16	L16-M18 HydrophobicContact CB-CG 3.81Å; L16-M18 HydrophobicContact CD2-CG 3.57Å; L16-M18 HydrophobicContact CD2-SD 3.92Å; L16-M18 HydrophobicContact CG-CG 4.17Å; L16-M18 PolarHBondContact O-N 2.9Å
19	R	43.3	Very low	66.9	Low	214 Å²	214	92.9 Å²	92.9	81%	0.808	49%	0.487	S	S	*	.			trans	-127.8	93.9	143.7	-82.6	-170.7	-178.5	-175.9	0.9	107.8	G17 T21	G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.35Å; R19-T21 PolarHBondContact O-N 3.3Å
20	K	46	Very low	66.8	Low	207 Å²	207	96.4 Å²	96.4	90%	0.9	50%	0.499	S	S	*	.			trans	-70.1	65.7	156.6	-89.5	-171.3	175.9	178.2	0	109
21	T	49.7	Very low	66.8	Low	99 Å²	99	98.2 Å²	98.2	61%	0.607	52%	0.518	S	S	*	.	S	Bend	trans	-142.4	82.5	168.4	57.3	0	0	0	0	106.5	R19	R19-T21 PolarHBondContact O-N 3.3Å
22	H	59.6	Low	67.4	Low	204 Å²	204	100.1 Å²	100.1	94%	0.944	53%	0.526	S	S	*	.	S	Bend	trans	52.9	113.1	171.4	-92.8	-111.5	0	0	0	117.8
23	G	70.4	Confident	68.1	Low	35 Å²	35	101.7 Å²	101.7	36%	0.361	54%	0.536	S	S	.	.	S	Bend	trans	141	-71.7	145.2	0	0	0	0	0	116.2
24	D	85.4	Confident	69.6	Low	71 Å²	71	100.2 Å²	100.2	38%	0.38	53%	0.531	S	S	.	.			trans	-129	146	-159.4	-54.9	-20	0	0	0	113.7	S48 T49 T50 L114	D24-S48 CarbonylContact C-O 3.48Å; D24-S48 WeakPolarHBondContact CA-O 3.39Å; D24-T49 WeakPolarHBondContact OD1-CA 3.41Å; D24-T49 WeakPolarHBondContact OD1-CB 3.27Å; D24-T49 PolarHBondContact OD1-OG1 2.94Å; D24-T49 PolarHBondContact OD2-OG1 3.24Å; D24-T50 PolarHBondContact OD1-N 2.92Å; D24-L114 HydrophobicContact CB-CD1 3.56Å; D24-L114 HydrophobicContact CB-CD2 4.15Å; D24-L114 HydrophobicContact CB-CG 4.49Å
25	S	89.9	Confident	71.5	Confident	60 Å²	60	97.6 Å²	97.6	42%	0.42	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	155.5	177.9	67.4	0	0	0	0	112.1	Y47 S48 L114	S25-Y47 CarbonylContact O-C 3.59Å; S25-Y47 WeakPolarHBondContact O-CA 3.48Å; S25-S48 PolarHBondContact N-O 2.78Å; S25-S48 PolarHBondContact O-N 2.86Å; S25-S48 WeakPolarHBondContact OG-CB 3.41Å; S25-L114 VanDerWaalsContact O-CD2 3.22Å; S25-L114 WeakPolarHBondContact O-CD2 3.38Å
26	V	92.5	Very high	73.6	Confident	27 Å²	27	92.4 Å²	92.4	16%	0.164	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.9	169.7	176.4	0	0	0	0	108.4	F14 C45 T46 C112 L114	F14-V26 WeakPolarHBondContact CE2-O 3.21Å; V26-C45 VanDerWaalsContact CG1-SG 3.52Å; V26-T46 CarbonylContact C-O 3.52Å; V26-T46 WeakPolarHBondContact CA-O 3.34Å; V26-C112 HydrophobicContact CG1-CB 3.86Å; V26-L114 HydrophobicContact CG2-CB 4.16Å; V26-L114 HydrophobicContact CG2-CD2 3.59Å; V26-L114 HydrophobicContact CG2-CG 3.91Å
27	T	92.2	Very high	75.6	Confident	85 Å²	85	90.6 Å²	90.6	52%	0.521	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.4	170.2	-59.7	0	0	0	0	109	C45 T46	T27-C45 WeakPolarHBondContact O-CA 3.39Å; T27-T46 WeakPolarHBondContact CB-OG1 3.43Å; T27-T46 PolarHBondContact N-O 3.11Å; T27-T46 PolarHBondContact O-N 2.63Å
28	Q	89.9	Confident	77.9	Confident	18 Å²	18	92.5 Å²	92.5	8%	0.084	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.7	-179.4	-172.9	-178.5	-7.9	0	0	109.7	Q30 I43 N44 W57 Y110 C112	Q28-Q30 PolarHBondContact O-N 2.79Å; Q28-I43 HydrophobicContact CG-CG2 4.27Å; Q28-N44 VanDerWaalsContact CA-O 3.31Å; Q28-N44 WeakPolarHBondContact CA-O 3.4Å; Q28-N44 VanDerWaalsContact CG-O 3.27Å; Q28-N44 WeakPolarHBondContact CG-O 3.39Å; Q28-W57 HydrophobicContact CG-CH2 4.31Å; Q28-Y110 PolarHBondContact NE2-O 2.68Å; Q28-C112 VanDerWaalsContact OE1-N 3.14Å
29	K	81.4	Confident	80.5	Confident	115 Å²	115	88.8 Å²	88.8	50%	0.5	46%	0.462	S	S	.	.			trans	-58.3	132.1	171.4	-178.4	178.2	179.9	-177.1	0	108.7	L12 N44	L12-K29 WeakPolarHBondContact CB-O 3.35Å; L12-K29 HydrophobicContact CD1-CB 3.96Å; L12-K29 HydrophobicContact CD1-CD 4.37Å; L12-K29 HydrophobicContact CD1-CG 4.07Å; L12-K29 WeakPolarHBondContact CD1-O 3.4Å; K29-N44 HydrophobicContact CB-CB 4.27Å; K29-N44 PolarHBondContact N-O 2.96Å
30	Q	77.2	Confident	83	Confident	126 Å²	126	83.8 Å²	83.8	59%	0.589	45%	0.447	S	S	*	.			trans	-98.9	156	178.3	-66.4	-179.3	12.7	0	0	111.3	F14 Q28	F14-Q30 HydrophobicContact CB-CG 4.07Å; F14-Q30 VanDerWaalsContact CB-NE2 3.33Å; Q28-Q30 PolarHBondContact O-N 2.79Å
31	G	80.4	Confident	85.4	Confident	39 Å²	39	74 Å²	74	40%	0.402	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.5	-171.9	171.3	0	0	0	0	0	113.6	L12	L12-G31 WeakPolarHBondContact CB-O 3.26Å; L12-G31 PolarHBondContact N-O 2.85Å; L12-G31 PolarHBondContact O-N 3.09Å
32	Q	86.1	Confident	87.5	Confident	126 Å²	126	73.8 Å²	73.8	59%	0.589	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	136	-179.5	-175.1	177	-11.3	0	0	110.1	V10 M11	V10-Q32 CarbonylContact O-C 3.58Å; V10-Q32 WeakPolarHBondContact O-CA 3.42Å; M11-Q32 HydrophobicContact CG-CB 4.45Å; M11-Q32 HydrophobicContact CG-CG 4.27Å
33	V	87.6	Confident	89.2	Confident	38 Å²	38	64.2 Å²	64.2	23%	0.23	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	169.3	-176.1	0	0	0	0	107.2	V10 L12 L35	V10-V33 HydrophobicContact CB-CB 4.43Å; V10-V33 PolarHBondContact N-O 3.27Å; V10-V33 PolarHBondContact O-N 3.36Å; L12-V33 HydrophobicContact CD1-CG2 4.25Å; V33-L35 HydrophobicContact CG1-CD2 3.97Å; V33-L35 HydrophobicContact CG1-CG 4.01Å
34	T	91.3	Very high	90.4	Very high	70 Å²	70	65.7 Å²	65.7	43%	0.429	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.6	173.2	-53.1	0	0	0	0	107.9	L7 V8 T9	L7-T34 HydrophobicContact CB-CG2 3.84Å; L7-T34 HydrophobicContact CD1-CG2 4.14Å; L7-T34 HydrophobicContact CD2-CG2 4.02Å; L7-T34 HydrophobicContact CG-CG2 4.22Å; V8-T34 WeakPolarHBondContact O-CA 3.22Å; T9-T34 HydrophobicContact CG2-CG2 4.39Å
35	L	91.3	Very high	90.8	Very high	29 Å²	29	62.4 Å²	62.4	15%	0.152	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	157.7	179	-62	175.8	0	0	0	109	L7 V8 V33 D39 L41 V102	L7-L35 CarbonylContact C-O 3.53Å; L7-L35 WeakPolarHBondContact CA-O 3.48Å; V8-L35 PolarHBondContact N-O 2.91Å; V8-L35 PolarHBondContact O-N 2.99Å; V33-L35 HydrophobicContact CG1-CD2 3.97Å; V33-L35 HydrophobicContact CG1-CG 4.01Å; L35-D39 HydrophobicContact CB-CB 4.07Å; L35-L41 HydrophobicContact CD1-CB 4.17Å; L35-L41 HydrophobicContact CD1-CD1 3.76Å; L35-V102 HydrophobicContact CB-CG2 4.16Å; L35-V102 HydrophobicContact CD1-CG1 4.44Å; L35-V102 HydrophobicContact CD1-CG2 4.4Å
36	S	93.4	Very high	91.1	Very high	41 Å²	41	62 Å²	62	29%	0.287	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	157.4	165.7	-51.7	0	0	0	0	109.4	D39 V102	S36-D39 WeakPolarHBondContact CB-OD2 3.02Å; S36-D39 PolarHBondContact N-OD2 2.9Å; S36-D39 VanDerWaalsContact O-CB 3.24Å; S36-D39 WeakPolarHBondContact O-CB 3.25Å; S36-D39 PolarHBondContact O-N 3.05Å; S36-V102 VanDerWaalsContact O-CG2 3.25Å; S36-V102 WeakPolarHBondContact O-CG2 3.4Å
37	E	93.7	Very high	91.2	Very high	75 Å²	75	61.4 Å²	61.4	35%	0.35	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	150	166.1	-70.9	-165.6	133.8	0	0	111.3	V6 V8 D39 V102 E104	V6-E37 HydrophobicContact CB-CG 4.01Å; V6-E37 HydrophobicContact CG1-CG 4.18Å; V6-E37 PolarHBondContact O-N 3.26Å; V6-E37 VanDerWaalsContact O-N 3.11Å; V8-E37 HydrophobicContact CG2-CG 4.15Å; E37-D39 PolarHBondContact O-N 3.08Å; E37-D39 VanDerWaalsContact O-N 3.14Å; E37-V102 WeakPolarHBondContact CA-O 3.28Å; E37-E104 PolarHBondContact OE1-N 2.77Å
38	D	94	Very high	91.2	Very high	118 Å²	118	60.6 Å²	60.6	63%	0.631	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-2.8	-173.5	-61.1	-47.1	0	0	0	116.6	S101 V102	D38-S101 PolarHBondContact OD1-OG 2.88Å; D38-V102 PolarHBondContact N-O 2.87Å
39	D	96.1	Very high	91.2	Very high	67 Å²	67	61.1 Å²	61.1	36%	0.358	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.5	152.8	172.1	-76.3	-18.8	0	0	0	111.7	L35 S36 E37 S101 V102	L35-D39 HydrophobicContact CB-CB 4.07Å; S36-D39 WeakPolarHBondContact CB-OD2 3.02Å; S36-D39 PolarHBondContact N-OD2 2.9Å; S36-D39 VanDerWaalsContact O-CB 3.24Å; S36-D39 WeakPolarHBondContact O-CB 3.25Å; S36-D39 PolarHBondContact O-N 3.05Å; E37-D39 PolarHBondContact O-N 3.08Å; E37-D39 VanDerWaalsContact O-N 3.14Å; D39-S101 WeakPolarHBondContact O-CA 3.22Å; D39-V102 HydrophobicContact CB-CG2 4.29Å; D39-V102 WeakPolarHBondContact O-CG2 3.46Å; D39-V102 PolarHBondContact O-N 3.42Å; D39-V102 VanDerWaalsContact O-N 3.08Å
40	F	95.8	Very high	91.5	Very high	109 Å²	109	61.5 Å²	61.5	48%	0.478	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-75.7	124.9	171.8	179.3	-104.6	0	0	0	110.9	F42 Q98 K99	F40-F42 HydrophobicContact CD1-CB 4.26Å; F40-F42 HydrophobicContact CE1-CB 3.74Å; F40-F42 HydrophobicContact CE1-CD2 4.09Å; F40-F42 HydrophobicContact CE1-CG 4.32Å; F40-F42 HydrophobicContact CZ-CD2 4.35Å; F40-Q98 HydrophobicContact CE2-CB 4.26Å; F40-Q98 HydrophobicContact CZ-CB 4.05Å; F40-Q98 HydrophobicContact CZ-CG 4.3Å; F40-K99 WeakPolarHBondContact CD2-O 3.38Å
41	L	94.8	Very high	92	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.9	172.1	175.7	67.3	0	0	0	110.9	V10 L35 I43 F84 Q98 K99 V102	V10-L41 HydrophobicContact CG1-CD1 4.44Å; V10-L41 HydrophobicContact CG2-CD1 4.16Å; L35-L41 HydrophobicContact CD1-CB 4.17Å; L35-L41 HydrophobicContact CD1-CD1 3.76Å; L41-I43 HydrophobicContact CD1-CD1 4.19Å; L41-I43 HydrophobicContact CD1-CG1 3.79Å; L41-I43 HydrophobicContact CD2-CD1 4.19Å; L41-I43 HydrophobicContact CD2-CG1 4.37Å; L41-I43 HydrophobicContact CG-CD1 4.4Å; L41-I43 HydrophobicContact CG-CG1 4.05Å; L41-F84 HydrophobicContact CD2-CD1 4.25Å; L41-F84 HydrophobicContact CD2-CE1 3.61Å; L41-Q98 VanDerWaalsContact O-CA 3.26Å; L41-Q98 WeakPolarHBondContact O-CA 3.15Å; L41-K99 HydrophobicContact CB-CB 4.14Å; L41-K99 HydrophobicContact CD2-CB 4.32Å; L41-K99 PolarHBondContact N-O 3.09Å; L41-K99 PolarHBondContact O-N 3.3Å; L41-K99 VanDerWaalsContact O-N 3.08Å; L41-V102 HydrophobicContact CB-CG1 3.5Å; L41-V102 HydrophobicContact CD2-CG1 4.23Å; L41-V102 HydrophobicContact CG-CG1 4.4Å
42	F	95.3	Very high	92.4	Very high	93 Å²	93	63.8 Å²	63.8	41%	0.408	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	118.4	170.3	-171.3	-101.4	0	0	0	110.9	F40 N44 H96 L97 Q98	F40-F42 HydrophobicContact CD1-CB 4.26Å; F40-F42 HydrophobicContact CE1-CB 3.74Å; F40-F42 HydrophobicContact CE1-CD2 4.09Å; F40-F42 HydrophobicContact CE1-CG 4.32Å; F40-F42 HydrophobicContact CZ-CD2 4.35Å; F42-N44 WeakPolarHBondContact CE1-OD1 3.17Å; F42-H96 HydrophobicContact CE2-CB 3.82Å; F42-H96 HydrophobicContact CZ-CB 3.86Å; F42-H96 AromaticContact CZ-CG 3.74Å; F42-H96 AromaticContact CZ-ND1 3.74Å; F42-L97 WeakPolarHBondContact CA-O 3.22Å; F42-Q98 HydrophobicContact CD2-CG 3.81Å; F42-Q98 HydrophobicContact CE2-CG 4.12Å
43	I	94.8	Very high	92.8	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121	176.9	-48.6	178.9	0	0	0	109.5	V10 L12 Q28 L41 C45 W57 H96 L97 Y110	V10-I43 HydrophobicContact CG1-CD1 4Å; L12-I43 HydrophobicContact CD1-CG2 4.1Å; L12-I43 HydrophobicContact CD2-CD1 3.81Å; L12-I43 HydrophobicContact CD2-CG1 4.24Å; L12-I43 HydrophobicContact CD2-CG2 3.56Å; L12-I43 HydrophobicContact CG-CG2 4.49Å; Q28-I43 HydrophobicContact CG-CG2 4.27Å; L41-I43 HydrophobicContact CD1-CD1 4.19Å; L41-I43 HydrophobicContact CD1-CG1 3.79Å; L41-I43 HydrophobicContact CD2-CD1 4.19Å; L41-I43 HydrophobicContact CD2-CG1 4.37Å; L41-I43 HydrophobicContact CG-CD1 4.4Å; L41-I43 HydrophobicContact CG-CG1 4.05Å; I43-C45 PolarHBondContact O-N 3.08Å; I43-W57 HydrophobicContact CB-CH2 4Å; I43-W57 HydrophobicContact CG2-CH2 3.53Å; I43-W57 HydrophobicContact CG2-CZ2 4.42Å; I43-W57 HydrophobicContact CG2-CZ3 4.14Å; I43-H96 WeakPolarHBondContact O-CA 3.35Å; I43-L97 HydrophobicContact CB-CB 4.1Å; I43-L97 HydrophobicContact CD1-CD2 3.97Å; I43-L97 HydrophobicContact CG1-CB 4.47Å; I43-L97 PolarHBondContact N-O 2.82Å; I43-L97 PolarHBondContact O-N 2.61Å; I43-Y110 HydrophobicContact CD1-CD1 4.4Å; I43-Y110 HydrophobicContact CD1-CD2 4.14Å; I43-Y110 HydrophobicContact CD1-CG 3.86Å
44	N	94.8	Very high	93.1	Very high	67 Å²	67	57.8 Å²	57.8	36%	0.358	31%	0.312	S	S	.	.			trans	-69.9	126.5	177.2	-78.8	-39.1	0	0	0	112.2	Q28 K29 F42 H96	Q28-N44 VanDerWaalsContact CA-O 3.31Å; Q28-N44 WeakPolarHBondContact CA-O 3.4Å; Q28-N44 VanDerWaalsContact CG-O 3.27Å; Q28-N44 WeakPolarHBondContact CG-O 3.39Å; K29-N44 HydrophobicContact CB-CB 4.27Å; K29-N44 PolarHBondContact N-O 2.96Å; F42-N44 WeakPolarHBondContact CE1-OD1 3.17Å; N44-H96 WeakPolarHBondContact CA-ND1 3.1Å; N44-H96 PolarHBondContact OD1-CE1 3.43Å; N44-H96 VanDerWaalsContact OD1-CE1 3.3Å; N44-H96 PolarHBondContact OD1-ND1 2.86Å; N44-H96 VanDerWaalsContact OD1-ND1 3.1Å
45	C	95.3	Very high	93.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	122.4	163.6	175.9	0	0	0	0	110	V26 T27 I43 W57 S94 F95 H96 C112	V26-C45 VanDerWaalsContact CG1-SG 3.52Å; T27-C45 WeakPolarHBondContact O-CA 3.39Å; I43-C45 PolarHBondContact O-N 3.08Å; C45-W57 HydrophobicContact CB-CH2 4.02Å; C45-W57 HydrophobicContact CB-CZ2 3.44Å; C45-W57 VanDerWaalsContact CB-CZ2 3.44Å; C45-S94 WeakPolarHBondContact O-CA 3.35Å; C45-F95 PolarHBondContact O-N 2.99Å; C45-H96 PolarHBondContact N-ND1 3.36Å; C45-C112 HydrophobicContact CB-CB 3.56Å; C45-C112 WeakPolarHBondContact CB-SG 3.42Å; C45-C112 WeakPolarHBondContact SG-CB 3.38Å; C45-C112 CovalentContact SG-SG 2.02Å; C45-C112 PolarHBondContact SG-SG 2.72Å
46	T	95.8	Very high	93.6	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.319	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.7	167.9	58.7	0	0	0	0	109.6	V26 T27 T93	V26-T46 CarbonylContact C-O 3.52Å; V26-T46 WeakPolarHBondContact CA-O 3.34Å; T27-T46 WeakPolarHBondContact CB-OG1 3.43Å; T27-T46 PolarHBondContact N-O 3.11Å; T27-T46 PolarHBondContact O-N 2.63Å; T46-T93 CarbonylContact C-O 3.58Å; T46-T93 VanDerWaalsContact CA-O 3.28Å; T46-T93 WeakPolarHBondContact CA-O 3.45Å; T46-T93 WeakPolarHBondContact CB-O 3.37Å
47	Y	93.3	Very high	93.8	Very high	14 Å²	14	51.8 Å²	51.8	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.2	179.6	69.9	-90	0	0	0	110.8	S25 T49 P53 L55 Y88 T93	S25-Y47 CarbonylContact O-C 3.59Å; S25-Y47 WeakPolarHBondContact O-CA 3.48Å; Y47-T49 HydrophobicContact CD2-CG2 3.63Å; Y47-T49 HydrophobicContact CE2-CG2 3.57Å; Y47-P53 HydrophobicContact CD2-CG 4.36Å; Y47-P53 HydrophobicContact CE2-CG 4.08Å; Y47-L55 HydrophobicContact CD1-CD1 3.73Å; Y47-L55 HydrophobicContact CD1-CD2 3.92Å; Y47-L55 HydrophobicContact CE1-CD1 3.52Å; Y47-L55 HydrophobicContact CE1-CD2 4.36Å; Y47-L55 HydrophobicContact CG-CD2 4.08Å; Y47-Y88 HydrophobicContact CE1-CD2 4.29Å; Y47-Y88 HydrophobicContact CE1-CE2 4.09Å; Y47-Y88 AromaticContact CZ-CE2 3.82Å; Y47-Y88 VanDerWaalsContact OH-CE2 3.28Å; Y47-Y88 WeakPolarHBondContact OH-CE2 3.5Å; Y47-T93 WeakPolarHBondContact CD1-O 3.27Å; Y47-T93 PolarHBondContact N-O 2.71Å; Y47-T93 WeakPolarHBondContact O-CB 3.33Å
48	S	92.9	Very high	93.9	Very high	68 Å²	68	52 Å²	52	48%	0.476	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.7	167.5	-171.9	0	0	0	0	107	D24 S25	D24-S48 CarbonylContact C-O 3.48Å; D24-S48 WeakPolarHBondContact CA-O 3.39Å; S25-S48 PolarHBondContact N-O 2.78Å; S25-S48 PolarHBondContact O-N 2.86Å; S25-S48 WeakPolarHBondContact OG-CB 3.41Å
49	T	90.1	Very high	94	Very high	29 Å²	29	46.4 Å²	46.4	18%	0.178	24%	0.242	C	C	.	.			trans	-159	153.8	176.4	179	0	0	0	0	109.6	D24 Y47 T51 P53	D24-T49 WeakPolarHBondContact OD1-CA 3.41Å; D24-T49 WeakPolarHBondContact OD1-CB 3.27Å; D24-T49 PolarHBondContact OD1-OG1 2.94Å; D24-T49 PolarHBondContact OD2-OG1 3.24Å; Y47-T49 HydrophobicContact CD2-CG2 3.63Å; Y47-T49 HydrophobicContact CE2-CG2 3.57Å; T49-T51 PolarHBondContact OG1-N 2.74Å; T49-T51 VanDerWaalsContact OG1-N 3.09Å; T49-T51 PolarHBondContact OG1-OG1 2.94Å; T49-P53 HydrophobicContact CG2-CB 4.35Å; T49-P53 HydrophobicContact CG2-CG 3.8Å
50	T	87.6	Confident	94	Very high	124 Å²	124	46 Å²	46	76%	0.761	24%	0.238	S	C	*	.	S	Bend	trans	-96.3	-4.7	173.1	56.9	0	0	0	0	113	D24	D24-T50 PolarHBondContact OD1-N 2.92Å
51	T	87.9	Confident	93.9	Very high	88 Å²	88	42.9 Å²	42.9	54%	0.54	22%	0.223	S	C	.	.	S	Bend	trans	-116.6	-166.8	-175.9	72.5	0	0	0	0	111.5	T49 P53	T49-T51 PolarHBondContact OG1-N 2.74Å; T49-T51 VanDerWaalsContact OG1-N 3.09Å; T49-T51 PolarHBondContact OG1-OG1 2.94Å; T51-P53 VanDerWaalsContact O-CD 3.28Å; T51-P53 WeakPolarHBondContact O-CD 3.34Å
52	Y	89.4	Confident	93.6	Very high	124 Å²	124	50.8 Å²	50.8	49%	0.486	27%	0.265	S	S	.	.			trans	-104.6	94.4	177	-168.7	-100.3	0	0	0	109.4	T73 T74 A75 Y88	Y52-T73 WeakPolarHBondContact CE1-O 3.41Å; Y52-T73 PolarHBondContact OH-O 2.8Å; Y52-T74 WeakPolarHBondContact OH-CA 3.33Å; Y52-A75 HydrophobicContact CE2-CB 3.89Å; Y52-A75 PolarHBondContact OH-N 2.88Å; Y52-Y88 HydrophobicContact CE2-CE1 4.47Å
53	P	92.9	Very high	93.5	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-77.4	156.9	-170.2	34.4	-41.1	0	0	0	112.3	Y47 T49 T51 L55 Y88 L114 V115	Y47-P53 HydrophobicContact CD2-CG 4.36Å; Y47-P53 HydrophobicContact CE2-CG 4.08Å; T49-P53 HydrophobicContact CG2-CB 4.35Å; T49-P53 HydrophobicContact CG2-CG 3.8Å; T51-P53 VanDerWaalsContact O-CD 3.28Å; T51-P53 WeakPolarHBondContact O-CD 3.34Å; P53-L55 HydrophobicContact CB-CD2 4.01Å; P53-L55 HydrophobicContact CG-CD2 3.9Å; P53-L55 HydrophobicContact CG-CG 4.27Å; P53-Y88 WeakPolarHBondContact CD-OH 3.47Å; P53-L114 HydrophobicContact CB-CB 4.23Å; P53-V115 CarbonylContact C-O 3.57Å
54	T	94.4	Very high	93.4	Very high	37 Å²	37	54.8 Å²	54.8	23%	0.227	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-87.8	125.9	153.1	-62.2	0	0	0	0	108.8	L56 K71 T73 L114 V115	T54-L56 HydrophobicContact CG2-CD1 4.03Å; T54-L56 HydrophobicContact CG2-CG 4.15Å; T54-L56 WeakPolarHBondContact O-CD1 3.09Å; T54-K71 HydrophobicContact CG2-CD 4.17Å; T54-K71 HydrophobicContact CG2-CG 3.75Å; T54-T73 HydrophobicContact CG2-CG2 3.85Å; T54-L114 CarbonylContact O-C 3.44Å; T54-L114 WeakPolarHBondContact O-CA 3.38Å; T54-V115 PolarHBondContact N-O 3.02Å; T54-V115 PolarHBondContact O-N 3.47Å
55	L	96.7	Very high	93.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.5	178.5	-57.9	178.8	0	0	0	110.6	Y47 P53 K71 V72 Y88 F95 L114	Y47-L55 HydrophobicContact CD1-CD1 3.73Å; Y47-L55 HydrophobicContact CD1-CD2 3.92Å; Y47-L55 HydrophobicContact CE1-CD1 3.52Å; Y47-L55 HydrophobicContact CE1-CD2 4.36Å; Y47-L55 HydrophobicContact CG-CD2 4.08Å; P53-L55 HydrophobicContact CB-CD2 4.01Å; P53-L55 HydrophobicContact CG-CD2 3.9Å; P53-L55 HydrophobicContact CG-CG 4.27Å; L55-K71 WeakPolarHBondContact O-CA 3.27Å; L55-V72 PolarHBondContact N-O 2.92Å; L55-V72 PolarHBondContact O-N 2.84Å; L55-Y88 HydrophobicContact CD1-CD1 4.14Å; L55-Y88 HydrophobicContact CD1-CD2 3.28Å; L55-Y88 HydrophobicContact CD1-CE1 4.49Å; L55-Y88 HydrophobicContact CD1-CE2 3.75Å; L55-Y88 HydrophobicContact CD1-CG 3.56Å; L55-Y88 HydrophobicContact CG-CD1 4.5Å; L55-Y88 HydrophobicContact CG-CD2 4.37Å; L55-Y88 HydrophobicContact CG-CG 4.36Å; L55-F95 HydrophobicContact CB-CB 4.32Å; L55-F95 HydrophobicContact CB-CD1 3.62Å; L55-F95 HydrophobicContact CB-CD2 4.08Å; L55-F95 HydrophobicContact CB-CE1 3.83Å; L55-F95 HydrophobicContact CB-CE2 4.31Å; L55-F95 HydrophobicContact CB-CG 3.75Å; L55-F95 HydrophobicContact CB-CZ 4.18Å; L55-F95 HydrophobicContact CD1-CB 3.81Å; L55-F95 HydrophobicContact CD1-CD2 4.16Å; L55-F95 HydrophobicContact CD1-CG 3.99Å; L55-F95 HydrophobicContact CG-CG 4.48Å; L55-L114 HydrophobicContact CD2-CB 3.68Å
56	L	97	Very high	93.3	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146	-173.4	-48.2	95.3	0	0	0	111.7	T54 Y58 L68 L70 K71 A113 V115	T54-L56 HydrophobicContact CG2-CD1 4.03Å; T54-L56 HydrophobicContact CG2-CG 4.15Å; T54-L56 WeakPolarHBondContact O-CD1 3.09Å; L56-Y58 HydrophobicContact CB-CD2 4.4Å; L56-Y58 HydrophobicContact CB-CE2 4Å; L56-Y58 HydrophobicContact CD2-CE2 4.18Å; L56-L68 HydrophobicContact CB-CD1 4.19Å; L56-L68 HydrophobicContact CD2-CD1 3.78Å; L56-L70 CarbonylContact C-O 3.6Å; L56-L70 VanDerWaalsContact CA-O 3.27Å; L56-L70 WeakPolarHBondContact CA-O 3.27Å; L56-K71 HydrophobicContact CD2-CB 4.47Å; L56-K71 HydrophobicContact CD2-CG 4.35Å; L56-K71 HydrophobicContact CG-CG 4.48Å; L56-A113 HydrophobicContact CB-CB 4.44Å; L56-A113 HydrophobicContact CD1-CB 4.46Å; L56-A113 PolarHBondContact N-O 3.34Å; L56-A113 PolarHBondContact O-N 2.85Å; L56-V115 HydrophobicContact CD1-CB 4.23Å; L56-V115 HydrophobicContact CD1-CG2 3.67Å
57	W	97.4	Very high	93.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.2	161.3	-81.5	100.1	0	0	0	109.6	Q28 I43 C45 L69 L70 F95 L97 F111 C112	Q28-W57 HydrophobicContact CG-CH2 4.31Å; I43-W57 HydrophobicContact CB-CH2 4Å; I43-W57 HydrophobicContact CG2-CH2 3.53Å; I43-W57 HydrophobicContact CG2-CZ2 4.42Å; I43-W57 HydrophobicContact CG2-CZ3 4.14Å; C45-W57 HydrophobicContact CB-CH2 4.02Å; C45-W57 HydrophobicContact CB-CZ2 3.44Å; C45-W57 VanDerWaalsContact CB-CZ2 3.44Å; W57-L69 HydrophobicContact CB-CB 4.25Å; W57-L69 HydrophobicContact CB-CD2 4.44Å; W57-L69 WeakPolarHBondContact O-CA 3.46Å; W57-L69 WeakPolarHBondContact O-CB 3.48Å; W57-L69 PolarHBondContact O-N 2.91Å; W57-L70 HydrophobicContact CB-CB 4.15Å; W57-L70 PolarHBondContact N-O 3.1Å; W57-L70 PolarHBondContact O-N 3.25Å; W57-L70 VanDerWaalsContact O-N 3.11Å; W57-F95 AromaticContact CD1-CD1 3.43Å; W57-F95 VanDerWaalsContact CD1-CD1 3.43Å; W57-F95 AromaticContact CD1-CE1 3.22Å; W57-F95 HydrophobicContact CG-CD1 4.47Å; W57-F95 HydrophobicContact CG-CE1 4.21Å; W57-F95 AromaticContact NE1-CD1 3.38Å; W57-F95 AromaticContact NE1-CE1 3.71Å; W57-F95 PolarHBondContact NE1-O 2.84Å; W57-L97 HydrophobicContact CB-CD1 4.34Å; W57-L97 HydrophobicContact CD2-CB 3.97Å; W57-L97 HydrophobicContact CD2-CD1 4.17Å; W57-L97 HydrophobicContact CD2-CD2 4.1Å; W57-L97 HydrophobicContact CD2-CG 4.32Å; W57-L97 HydrophobicContact CE3-CB 4.44Å; W57-L97 HydrophobicContact CE3-CD2 4.09Å; W57-L97 HydrophobicContact CG-CB 4.46Å; W57-L97 HydrophobicContact CG-CD1 3.83Å; W57-L97 HydrophobicContact CG-CD2 4.44Å; W57-L97 HydrophobicContact CG-CG 4.48Å; W57-L97 HydrophobicContact CH2-CB 4.18Å; W57-L97 HydrophobicContact CZ2-CB 3.65Å; W57-F111 CarbonylContact C-O 3.59Å; W57-F111 WeakPolarHBondContact CA-O 3.15Å; W57-F111 VanDerWaalsContact CE3-O 3.23Å; W57-C112 HydrophobicContact CD2-CB 4.23Å; W57-C112 HydrophobicContact CE3-CB 4.16Å; W57-C112 HydrophobicContact CH2-CB 3.68Å; W57-C112 HydrophobicContact CZ2-CB 3.75Å; W57-C112 HydrophobicContact CZ3-CB 3.89Å
58	Y	96.4	Very high	93.5	Very high	80 Å²	80	61.8 Å²	61.8	31%	0.314	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.6	167.2	-73.4	-98.7	0	0	0	110	L56 P66 Q67 L68 Y110 F111	L56-Y58 HydrophobicContact CB-CD2 4.4Å; L56-Y58 HydrophobicContact CB-CE2 4Å; L56-Y58 HydrophobicContact CD2-CE2 4.18Å; Y58-P66 HydrophobicContact CD1-CB 4.09Å; Y58-Q67 CarbonylContact C-O 3.52Å; Y58-Q67 WeakPolarHBondContact CA-O 3.44Å; Y58-Q67 VanDerWaalsContact CD1-C 3.41Å; Y58-Q67 WeakPolarHBondContact CD1-O 3.25Å; Y58-L68 HydrophobicContact CE1-CB 4.13Å; Y58-L68 HydrophobicContact CE1-CD1 4.32Å; Y58-L68 HydrophobicContact CE2-CD1 4.18Å; Y58-Y110 WeakPolarHBondContact O-CA 3.48Å; Y58-F111 PolarHBondContact N-O 2.74Å; Y58-F111 PolarHBondContact O-N 2.86Å
59	V	96.1	Very high	93.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.6	169.1	64.2	0	0	0	0	109.2	Y61 Q67 L69 A108 V109 Y110	V59-Y61 HydrophobicContact CG1-CE2 4.02Å; V59-Y61 HydrophobicContact CG2-CE1 4.17Å; V59-Y61 HydrophobicContact CG2-CE2 4.23Å; V59-Q67 HydrophobicContact CG1-CB 4.33Å; V59-Q67 PolarHBondContact N-O 2.83Å; V59-Q67 PolarHBondContact O-N 3.22Å; V59-L69 HydrophobicContact CB-CB 4.4Å; V59-L69 HydrophobicContact CB-CD2 4.4Å; V59-L69 HydrophobicContact CG1-CB 4.19Å; V59-A108 HydrophobicContact CG2-CB 3.44Å; V59-A108 VanDerWaalsContact CG2-CB 3.44Å; V59-V109 CarbonylContact C-O 3.58Å; V59-V109 WeakPolarHBondContact CA-O 3.39Å; V59-Y110 HydrophobicContact CB-CD1 4.13Å; V59-Y110 HydrophobicContact CB-CE1 4.04Å; V59-Y110 HydrophobicContact CG2-CD1 4.03Å; V59-Y110 HydrophobicContact CG2-CE1 3.63Å; V59-Y110 HydrophobicContact CG2-CE2 4.38Å
60	Q	95.7	Very high	94	Very high	59 Å²	59	57.8 Å²	57.8	28%	0.276	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	109.1	176	-175.5	179.9	4.2	0	0	109.4	Q64 A108 V109 F111	Q60-Q64 VanDerWaalsContact CG-O 3.22Å; Q60-Q64 WeakPolarHBondContact CG-O 3.36Å; Q60-Q64 PolarHBondContact NE2-O 3.14Å; Q60-A108 WeakPolarHBondContact O-CB 3.24Å; Q60-V109 HydrophobicContact CB-CB 4.32Å; Q60-V109 PolarHBondContact N-O 2.86Å; Q60-V109 PolarHBondContact O-N 3.08Å; Q60-F111 HydrophobicContact CB-CE2 3.69Å
61	Y	93.4	Very high	94.5	Very high	43 Å²	43	57.8 Å²	57.8	17%	0.169	32%	0.318	C	S	.	.			trans	-75.5	156.6	172.2	-59.4	-72.7	0	0	0	110.8	V59 G63 Q64 R82 S105 A108	V59-Y61 HydrophobicContact CG1-CE2 4.02Å; V59-Y61 HydrophobicContact CG2-CE1 4.17Å; V59-Y61 HydrophobicContact CG2-CE2 4.23Å; Y61-G63 PolarHBondContact O-N 3.22Å; Y61-Q64 PolarHBondContact O-N 2.72Å; Y61-R82 PolarHBondContact OH-NH1 2.74Å; Y61-S105 WeakPolarHBondContact CE1-O 3.47Å; Y61-A108 HydrophobicContact CD1-CB 3.73Å; Y61-A108 HydrophobicContact CE1-CB 3.92Å; Y61-A108 HydrophobicContact CG-CB 4.49Å
62	L	89.3	Confident	94.9	Very high	169 Å²	169	54.1 Å²	54.1	89%	0.885	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	127.9	178.8	-172.6	67.4	0	0	0	110.7	Q64	L62-Q64 PolarHBondContact O-N 3.11Å
63	G	91.2	Very high	95.3	Very high	87 Å²	87	51.2 Å²	51.2	90%	0.897	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	3.7	-179.6	0	0	0	0	0	115.5	Y61	Y61-G63 PolarHBondContact O-N 3.22Å
64	Q	93.7	Very high	95.4	Very high	93 Å²	93	54 Å²	54	44%	0.435	31%	0.308	S	S	.	.	S	Bend	trans	-110.5	162.7	177.9	-57.9	-173.5	25.6	0	0	111.7	Q60 Y61 L62	Q60-Q64 VanDerWaalsContact CG-O 3.22Å; Q60-Q64 WeakPolarHBondContact CG-O 3.36Å; Q60-Q64 PolarHBondContact NE2-O 3.14Å; Y61-Q64 PolarHBondContact O-N 2.72Å; L62-Q64 PolarHBondContact O-N 3.11Å
65	G	93	Very high	95.5	Very high	46 Å²	46	53 Å²	53	47%	0.474	30%	0.304	S	S	.	.			trans	-78.1	164	169	0	0	0	0	0	112.3	Q67	G65-Q67 PolarHBondContact O-N 2.83Å
66	P	94.6	Very high	95.4	Very high	80 Å²	80	58.2 Å²	58.2	52%	0.519	33%	0.332	S	S	.	.			trans	-59	132	174.3	-23	33.7	0	0	0	112.3	Y58	Y58-P66 HydrophobicContact CD1-CB 4.09Å
67	Q	96.8	Very high	95.5	Very high	69 Å²	69	61.5 Å²	61.5	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.5	178.1	-63	174.7	11.3	0	0	110.2	Y58 V59 G65 L69	Y58-Q67 CarbonylContact C-O 3.52Å; Y58-Q67 WeakPolarHBondContact CA-O 3.44Å; Y58-Q67 VanDerWaalsContact CD1-C 3.41Å; Y58-Q67 WeakPolarHBondContact CD1-O 3.25Å; V59-Q67 HydrophobicContact CG1-CB 4.33Å; V59-Q67 PolarHBondContact N-O 2.83Å; V59-Q67 PolarHBondContact O-N 3.22Å; G65-Q67 PolarHBondContact O-N 2.83Å; Q67-L69 PolarHBondContact O-N 2.89Å
68	L	96.8	Very high	95.5	Very high	86 Å²	86	66.6 Å²	66.6	45%	0.45	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	123	175.1	-176.6	66.1	0	0	0	109.7	L56 Y58 L70 K71	L56-L68 HydrophobicContact CB-CD1 4.19Å; L56-L68 HydrophobicContact CD2-CD1 3.78Å; Y58-L68 HydrophobicContact CE1-CB 4.13Å; Y58-L68 HydrophobicContact CE1-CD1 4.32Å; Y58-L68 HydrophobicContact CE2-CD1 4.18Å; L68-L70 WeakPolarHBondContact CD1-O 3.36Å; L68-K71 HydrophobicContact CD1-CB 4.4Å; L68-K71 HydrophobicContact CD2-CB 4.34Å
69	L	97.4	Very high	95.5	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-52.6	175.6	179.2	61.7	0	0	0	110.9	W57 V59 Q67 S81 F84 L97 Y110	W57-L69 HydrophobicContact CB-CB 4.25Å; W57-L69 HydrophobicContact CB-CD2 4.44Å; W57-L69 WeakPolarHBondContact O-CA 3.46Å; W57-L69 WeakPolarHBondContact O-CB 3.48Å; W57-L69 PolarHBondContact O-N 2.91Å; V59-L69 HydrophobicContact CB-CB 4.4Å; V59-L69 HydrophobicContact CB-CD2 4.4Å; V59-L69 HydrophobicContact CG1-CB 4.19Å; Q67-L69 PolarHBondContact O-N 2.89Å; L69-S81 WeakPolarHBondContact O-CB 3.37Å; L69-S81 PolarHBondContact O-OG 2.88Å; L69-F84 HydrophobicContact CD1-CB 4.49Å; L69-F84 HydrophobicContact CD1-CD2 3.87Å; L69-F84 HydrophobicContact CD1-CE2 4.46Å; L69-F84 HydrophobicContact CD1-CG 4.33Å; L69-F84 HydrophobicContact CD2-CB 4.18Å; L69-F84 HydrophobicContact CD2-CD1 4.16Å; L69-F84 HydrophobicContact CD2-CD2 4.12Å; L69-F84 HydrophobicContact CD2-CG 3.89Å; L69-F84 HydrophobicContact CG-CB 4.5Å; L69-L97 HydrophobicContact CD2-CD1 4.22Å; L69-L97 HydrophobicContact CD2-CD2 3.91Å; L69-Y110 HydrophobicContact CD2-CD1 3.96Å; L69-Y110 HydrophobicContact CD2-CE1 3.87Å
70	L	97.1	Very high	95.6	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.042	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150	178.9	-67.4	167.1	0	0	0	110.9	L56 W57 L68 F84 A86 F95 L97	L56-L70 CarbonylContact C-O 3.6Å; L56-L70 VanDerWaalsContact CA-O 3.27Å; L56-L70 WeakPolarHBondContact CA-O 3.27Å; W57-L70 HydrophobicContact CB-CB 4.15Å; W57-L70 PolarHBondContact N-O 3.1Å; W57-L70 PolarHBondContact O-N 3.25Å; W57-L70 VanDerWaalsContact O-N 3.11Å; L68-L70 WeakPolarHBondContact CD1-O 3.36Å; L70-F84 HydrophobicContact CD1-CB 4.46Å; L70-A86 HydrophobicContact CD1-CB 3.64Å; L70-F95 HydrophobicContact CB-CZ 4.46Å; L70-L97 HydrophobicContact CD1-CD1 3.4Å; L70-L97 VanDerWaalsContact CD1-CD1 3.4Å
71	K	96.8	Very high	95.7	Very high	124 Å²	124	67.3 Å²	67.3	54%	0.539	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	125.5	169.5	174.3	-179.5	168.5	176.2	0	108.7	T54 L55 L56 L68	T54-K71 HydrophobicContact CG2-CD 4.17Å; T54-K71 HydrophobicContact CG2-CG 3.75Å; L55-K71 WeakPolarHBondContact O-CA 3.27Å; L56-K71 HydrophobicContact CD2-CB 4.47Å; L56-K71 HydrophobicContact CD2-CG 4.35Å; L56-K71 HydrophobicContact CG-CG 4.48Å; L68-K71 HydrophobicContact CD1-CB 4.4Å; L68-K71 HydrophobicContact CD2-CB 4.34Å
72	V	97.9	Very high	95.8	Very high	10 Å²	10	70.5 Å²	70.5	6%	0.061	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.6	174.6	-177.2	0	0	0	0	108.8	L55 T74 N77 Y88 F95	L55-V72 PolarHBondContact N-O 2.92Å; L55-V72 PolarHBondContact O-N 2.84Å; V72-T74 WeakPolarHBondContact CG1-O 3.26Å; V72-N77 HydrophobicContact CG1-CB 4Å; V72-Y88 HydrophobicContact CG1-CD1 4.27Å; V72-F95 HydrophobicContact CB-CE2 3.86Å; V72-F95 HydrophobicContact CB-CZ 4.01Å; V72-F95 HydrophobicContact CG2-CE2 3.7Å; V72-F95 HydrophobicContact CG2-CZ 3.75Å
73	T	96.3	Very high	96.2	Very high	63 Å²	63	64.6 Å²	64.6	39%	0.387	38%	0.378	S	S	.	.			trans	-103.1	-18	-179.6	53.9	0	0	0	0	112.6	Y52 T54	Y52-T73 WeakPolarHBondContact CE1-O 3.41Å; Y52-T73 PolarHBondContact OH-O 2.8Å; T54-T73 HydrophobicContact CG2-CG2 3.85Å
74	T	96.6	Very high	96.5	Very high	60 Å²	60	60.5 Å²	60.5	37%	0.368	34%	0.336	S	S	.	.	S	Bend	trans	-108	124.9	-172.5	-53.9	0	0	0	0	110.3	Y52 V72 N76 N77 Y88	Y52-T74 WeakPolarHBondContact OH-CA 3.33Å; V72-T74 WeakPolarHBondContact CG1-O 3.26Å; T74-N76 PolarHBondContact O-N 2.82Å; T74-N77 WeakPolarHBondContact CB-ND2 3.37Å; T74-N77 WeakPolarHBondContact O-CB 3.5Å; T74-N77 PolarHBondContact O-N 3.05Å; T74-N77 VanDerWaalsContact O-N 3.13Å; T74-Y88 WeakPolarHBondContact O-CD1 3.46Å
75	A	95.1	Very high	96.8	Very high	18 Å²	18	59.3 Å²	59.3	15%	0.149	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	138.2	175.9	0	0	0	0	0	110.5	Y52 N77 Y88 K90	Y52-A75 HydrophobicContact CE2-CB 3.89Å; Y52-A75 PolarHBondContact OH-N 2.88Å; A75-N77 PolarHBondContact O-N 2.85Å; A75-Y88 HydrophobicContact CB-CD1 4.41Å; A75-Y88 HydrophobicContact CB-CE1 4.04Å; A75-Y88 HydrophobicContact CB-CE2 4.31Å; A75-K90 HydrophobicContact CB-CB 3.99Å; A75-K90 HydrophobicContact CB-CD 4.08Å
76	N	96.1	Very high	97	Very high	109 Å²	109	57.1 Å²	57.1	58%	0.583	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	7.1	-177	-48.4	-39.8	0	0	0	115.1	T74 Y88	T74-N76 PolarHBondContact O-N 2.82Å; N76-Y88 WeakPolarHBondContact CA-O 3.33Å; N76-Y88 PolarHBondContact N-O 2.74Å
77	N	97.8	Very high	97.2	Very high	82 Å²	82	56 Å²	56	44%	0.439	30%	0.3	S	S	.	.			trans	-83.8	153.2	169.4	-73.6	8.8	0	0	0	111.2	V72 T74 A75 Y88	V72-N77 HydrophobicContact CG1-CB 4Å; T74-N77 WeakPolarHBondContact CB-ND2 3.37Å; T74-N77 WeakPolarHBondContact O-CB 3.5Å; T74-N77 PolarHBondContact O-N 3.05Å; T74-N77 VanDerWaalsContact O-N 3.13Å; A75-N77 PolarHBondContact O-N 2.85Å; N77-Y88 PolarHBondContact O-N 2.8Å
78	K	97.7	Very high	97.2	Very high	107 Å²	107	52.8 Å²	52.8	47%	0.465	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.9	175.3	-172.1	171.9	71.3	159.1	0	110.4	I80 E85 A86	K78-I80 HydrophobicContact CG-CG1 4.37Å; K78-E85 HydrophobicContact CD-CB 4.37Å; K78-E85 WeakPolarHBondContact CD-OE2 2.99Å; K78-E85 WeakPolarHBondContact CE-OE2 3.47Å; K78-E85 IonicContact NZ-OE1 2.74Å; K78-E85 IonicContact NZ-OE2 2.74Å; K78-E85 PolarHBondContact NZ-OE2 2.8Å; K78-A86 WeakPolarHBondContact CA-O 3Å
79	G	97.3	Very high	97.3	Very high	10 Å²	10	51.1 Å²	51.1	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.5	167.3	0	0	0	0	0	110.4	E85 A86	G79-E85 WeakPolarHBondContact O-CA 3.5Å; G79-A86 PolarHBondContact N-O 2.92Å; G79-A86 PolarHBondContact O-N 2.94Å
80	I	97.9	Very high	97.1	Very high	105 Å²	105	56.6 Å²	56.6	54%	0.538	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.4	175.6	-53.5	176.9	0	0	0	108.9	K78 F84 E85	K78-I80 HydrophobicContact CG-CG1 4.37Å; I80-F84 CarbonylContact C-O 3.58Å; I80-F84 VanDerWaalsContact CA-O 3.27Å; I80-F84 WeakPolarHBondContact CA-O 3.42Å; I80-E85 HydrophobicContact CG1-CG 4.11Å; I80-E85 HydrophobicContact CG2-CG 4.34Å
81	S	97.8	Very high	97.1	Very high	39 Å²	39	59.6 Å²	59.6	27%	0.273	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	129.7	178.1	178.8	0	0	0	0	110.3	L69 G83 F84	L69-S81 WeakPolarHBondContact O-CB 3.37Å; L69-S81 PolarHBondContact O-OG 2.88Å; S81-G83 PolarHBondContact O-N 2.84Å; S81-G83 VanDerWaalsContact O-N 3.1Å; S81-F84 PolarHBondContact N-O 3.08Å; S81-F84 WeakPolarHBondContact O-CA 2.99Å; S81-F84 WeakPolarHBondContact O-CB 3.34Å; S81-F84 PolarHBondContact O-N 2.86Å
82	R	95.9	Very high	97	Very high	111 Å²	111	57.4 Å²	57.4	42%	0.419	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.9	179.4	-61.9	-174.6	-76.2	-163.8	-11.6	114.2	Y61 F84 K99	Y61-R82 PolarHBondContact OH-NH1 2.74Å; R82-F84 HydrophobicContact CB-CD2 4.19Å; R82-F84 WeakPolarHBondContact O-CD2 3.07Å; R82-F84 PolarHBondContact O-N 3.23Å; R82-K99 PolarHBondContact O-NZ 2.78Å
83	G	96.6	Very high	96.9	Very high	44 Å²	44	60 Å²	60	45%	0.454	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-1.9	-176.6	0	0	0	0	0	115	S81	S81-G83 PolarHBondContact O-N 2.84Å; S81-G83 VanDerWaalsContact O-N 3.1Å
84	F	98.2	Very high	97	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.4	169.7	-63.6	-94.3	0	0	0	110.7	L41 L69 L70 I80 S81 R82 L97 Q98 K99 D106 Y110	L41-F84 HydrophobicContact CD2-CD1 4.25Å; L41-F84 HydrophobicContact CD2-CE1 3.61Å; L69-F84 HydrophobicContact CD1-CB 4.49Å; L69-F84 HydrophobicContact CD1-CD2 3.87Å; L69-F84 HydrophobicContact CD1-CE2 4.46Å; L69-F84 HydrophobicContact CD1-CG 4.33Å; L69-F84 HydrophobicContact CD2-CB 4.18Å; L69-F84 HydrophobicContact CD2-CD1 4.16Å; L69-F84 HydrophobicContact CD2-CD2 4.12Å; L69-F84 HydrophobicContact CD2-CG 3.89Å; L69-F84 HydrophobicContact CG-CB 4.5Å; L70-F84 HydrophobicContact CD1-CB 4.46Å; I80-F84 CarbonylContact C-O 3.58Å; I80-F84 VanDerWaalsContact CA-O 3.27Å; I80-F84 WeakPolarHBondContact CA-O 3.42Å; S81-F84 PolarHBondContact N-O 3.08Å; S81-F84 WeakPolarHBondContact O-CA 2.99Å; S81-F84 WeakPolarHBondContact O-CB 3.34Å; S81-F84 PolarHBondContact O-N 2.86Å; R82-F84 HydrophobicContact CB-CD2 4.19Å; R82-F84 WeakPolarHBondContact O-CD2 3.07Å; R82-F84 PolarHBondContact O-N 3.23Å; F84-L97 HydrophobicContact CB-CD1 3.94Å; F84-L97 HydrophobicContact CB-CG 4.47Å; F84-L97 HydrophobicContact CD1-CD1 4.25Å; F84-L97 HydrophobicContact CD1-CD2 3.72Å; F84-L97 HydrophobicContact CD1-CG 3.92Å; F84-L97 HydrophobicContact CE1-CD2 4.22Å; F84-Q98 CarbonylContact C-O 3.51Å; F84-Q98 VanDerWaalsContact CA-O 3.27Å; F84-Q98 WeakPolarHBondContact CA-O 3.38Å; F84-K99 HydrophobicContact CD1-CB 3.82Å; F84-K99 HydrophobicContact CD1-CD 3.99Å; F84-K99 HydrophobicContact CD1-CG 4.5Å; F84-K99 HydrophobicContact CD2-CD 3.99Å; F84-K99 HydrophobicContact CE1-CB 4.01Å; F84-K99 HydrophobicContact CE1-CD 3.7Å; F84-K99 HydrophobicContact CE2-CD 3.68Å; F84-K99 HydrophobicContact CG-CB 4.37Å; F84-K99 HydrophobicContact CG-CD 4.13Å; F84-K99 HydrophobicContact CZ-CD 3.51Å; F84-D106 WeakPolarHBondContact CE2-OD1 3.31Å; F84-D106 HydrophobicContact CZ-CB 4.14Å; F84-D106 WeakPolarHBondContact CZ-OD1 3.28Å; F84-Y110 HydrophobicContact CD1-CE1 4.31Å; F84-Y110 AromaticContact CE1-CE1 3.58Å; F84-Y110 HydrophobicContact CE1-CE1 3.58Å; F84-Y110 AromaticContact CE1-CZ 3.87Å; F84-Y110 AromaticContact CZ-CE1 3.74Å; F84-Y110 HydrophobicContact CZ-CE1 3.74Å; F84-Y110 AromaticContact CZ-CZ 3.81Å; F84-Y110 WeakPolarHBondContact CZ-OH 3.45Å
85	E	98.4	Very high	97	Very high	68 Å²	68	54.3 Å²	54.3	32%	0.318	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.7	177.9	-50.8	-163.8	169.1	0	0	110.7	K78 G79 I80 L97 Q98	K78-E85 HydrophobicContact CD-CB 4.37Å; K78-E85 WeakPolarHBondContact CD-OE2 2.99Å; K78-E85 WeakPolarHBondContact CE-OE2 3.47Å; K78-E85 IonicContact NZ-OE1 2.74Å; K78-E85 IonicContact NZ-OE2 2.74Å; K78-E85 PolarHBondContact NZ-OE2 2.8Å; G79-E85 WeakPolarHBondContact O-CA 3.5Å; I80-E85 HydrophobicContact CG1-CG 4.11Å; I80-E85 HydrophobicContact CG2-CG 4.34Å; E85-L97 CarbonylContact O-C 3.56Å; E85-L97 WeakPolarHBondContact O-CA 3.1Å; E85-Q98 PolarHBondContact N-O 3.36Å; E85-Q98 PolarHBondContact O-N 2.77Å
86	A	98.3	Very high	97.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.4	167.8	0	0	0	0	0	110.3	L70 K78 G79 F95 H96 L97	L70-A86 HydrophobicContact CD1-CB 3.64Å; K78-A86 WeakPolarHBondContact CA-O 3Å; G79-A86 PolarHBondContact N-O 2.92Å; G79-A86 PolarHBondContact O-N 2.94Å; A86-F95 HydrophobicContact CB-CD1 4.42Å; A86-F95 HydrophobicContact CB-CD2 3.86Å; A86-F95 HydrophobicContact CB-CE1 4.13Å; A86-F95 HydrophobicContact CB-CE2 3.49Å; A86-F95 VanDerWaalsContact CB-CE2 3.49Å; A86-F95 HydrophobicContact CB-CG 4.3Å; A86-F95 HydrophobicContact CB-CZ 3.65Å; A86-H96 WeakPolarHBondContact CA-O 3.16Å; A86-H96 WeakPolarHBondContact CB-O 3.27Å; A86-L97 HydrophobicContact CB-CD1 4.28Å
87	T	98.4	Very high	97.2	Very high	56 Å²	56	50.1 Å²	50.1	34%	0.344	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.8	177.3	-58.9	0	0	0	0	109	D89 F95	T87-D89 VanDerWaalsContact C-N 3.3Å; T87-D89 PolarHBondContact O-N 3.06Å; T87-F95 WeakPolarHBondContact O-CD2 3.33Å
88	Y	97.6	Very high	97.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.008	28%	0.279	C	S	.	.			trans	-74.1	87.3	170.4	174.5	-176	0	0	0	108.1	Y47 Y52 P53 L55 V72 T74 A75 N76 N77 K90	Y47-Y88 HydrophobicContact CE1-CD2 4.29Å; Y47-Y88 HydrophobicContact CE1-CE2 4.09Å; Y47-Y88 AromaticContact CZ-CE2 3.82Å; Y47-Y88 VanDerWaalsContact OH-CE2 3.28Å; Y47-Y88 WeakPolarHBondContact OH-CE2 3.5Å; Y52-Y88 HydrophobicContact CE2-CE1 4.47Å; P53-Y88 WeakPolarHBondContact CD-OH 3.47Å; L55-Y88 HydrophobicContact CD1-CD1 4.14Å; L55-Y88 HydrophobicContact CD1-CD2 3.28Å; L55-Y88 HydrophobicContact CD1-CE1 4.49Å; L55-Y88 HydrophobicContact CD1-CE2 3.75Å; L55-Y88 HydrophobicContact CD1-CG 3.56Å; L55-Y88 HydrophobicContact CG-CD1 4.5Å; L55-Y88 HydrophobicContact CG-CD2 4.37Å; L55-Y88 HydrophobicContact CG-CG 4.36Å; V72-Y88 HydrophobicContact CG1-CD1 4.27Å; T74-Y88 WeakPolarHBondContact O-CD1 3.46Å; A75-Y88 HydrophobicContact CB-CD1 4.41Å; A75-Y88 HydrophobicContact CB-CE1 4.04Å; A75-Y88 HydrophobicContact CB-CE2 4.31Å; N76-Y88 WeakPolarHBondContact CA-O 3.33Å; N76-Y88 PolarHBondContact N-O 2.74Å; N77-Y88 PolarHBondContact O-N 2.8Å; Y88-K90 HydrophobicContact CE2-CB 4.15Å; Y88-K90 PolarHBondContact O-N 2.02Å
89	D	97.3	Very high	97.2	Very high	50 Å²	50	45.1 Å²	45.1	27%	0.267	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-88.5	106.2	177.2	-177.4	-13.4	0	0	0	110.3	T87 G91 T92 T93 S94	T87-D89 VanDerWaalsContact C-N 3.3Å; T87-D89 PolarHBondContact O-N 3.06Å; D89-G91 VanDerWaalsContact C-N 3.35Å; D89-G91 WeakPolarHBondContact OD1-CA 3.37Å; D89-G91 PolarHBondContact OD1-N 3.46Å; D89-T92 WeakPolarHBondContact CB-OG1 3.35Å; D89-T92 PolarHBondContact OD1-N 3.47Å; D89-T92 PolarHBondContact OD1-OG1 3.01Å; D89-T92 WeakPolarHBondContact OD2-CG2 3.34Å; D89-T92 PolarHBondContact OD2-OG1 2.79Å; D89-T93 WeakPolarHBondContact O-CA 3.47Å; D89-T93 PolarHBondContact O-N 2.93Å; D89-S94 PolarHBondContact N-O 2.97Å; D89-S94 PolarHBondContact O-N 2.84Å
90	K	94.8	Very high	97.2	Very high	120 Å²	120	48.5 Å²	48.5	52%	0.522	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-27.6	178.2	-174.8	178.6	178.7	-177.7	0	112.4	A75 Y88	A75-K90 HydrophobicContact CB-CB 3.99Å; A75-K90 HydrophobicContact CB-CD 4.08Å; Y88-K90 HydrophobicContact CE2-CB 4.15Å; Y88-K90 PolarHBondContact O-N 2.02Å
91	G	95.4	Very high	97.1	Very high	72 Å²	72	45.4 Å²	45.4	74%	0.742	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-41.5	-178.6	0	0	0	0	0	112.2	D89	D89-G91 VanDerWaalsContact C-N 3.35Å; D89-G91 WeakPolarHBondContact OD1-CA 3.37Å; D89-G91 PolarHBondContact OD1-N 3.46Å
92	T	96.6	Very high	97	Very high	78 Å²	78	43.5 Å²	43.5	48%	0.479	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.2	176	61.9	0	0	0	0	113.7	D89 S94	D89-T92 WeakPolarHBondContact CB-OG1 3.35Å; D89-T92 PolarHBondContact OD1-N 3.47Å; D89-T92 PolarHBondContact OD1-OG1 3.01Å; D89-T92 WeakPolarHBondContact OD2-CG2 3.34Å; D89-T92 PolarHBondContact OD2-OG1 2.79Å; T92-S94 VanDerWaalsContact C-N 3.35Å; T92-S94 PolarHBondContact O-N 3.45Å; T92-S94 PolarHBondContact OG1-OG 3.13Å
93	T	95.8	Very high	97	Very high	64 Å²	64	43.1 Å²	43.1	39%	0.393	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	51.8	-174.7	57.9	0	0	0	0	112.2	T46 Y47 D89	T46-T93 CarbonylContact C-O 3.58Å; T46-T93 VanDerWaalsContact CA-O 3.28Å; T46-T93 WeakPolarHBondContact CA-O 3.45Å; T46-T93 WeakPolarHBondContact CB-O 3.37Å; Y47-T93 WeakPolarHBondContact CD1-O 3.27Å; Y47-T93 PolarHBondContact N-O 2.71Å; Y47-T93 WeakPolarHBondContact O-CB 3.33Å; D89-T93 WeakPolarHBondContact O-CA 3.47Å; D89-T93 PolarHBondContact O-N 2.93Å
94	S	96.9	Very high	96.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.021	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-134.6	159.2	-171.7	77.1	0	0	0	0	114.9	C45 D89 T92 H96	C45-S94 WeakPolarHBondContact O-CA 3.35Å; D89-S94 PolarHBondContact N-O 2.97Å; D89-S94 PolarHBondContact O-N 2.84Å; T92-S94 VanDerWaalsContact C-N 3.35Å; T92-S94 PolarHBondContact O-N 3.45Å; T92-S94 PolarHBondContact OG1-OG 3.13Å; S94-H96 VanDerWaalsContact CB-CD2 3.46Å; S94-H96 WeakPolarHBondContact CB-CD2 3.46Å; S94-H96 WeakPolarHBondContact CB-NE2 3.46Å; S94-H96 PolarHBondContact OG-CD2 3.25Å; S94-H96 VanDerWaalsContact OG-CD2 3.27Å; S94-H96 PolarHBondContact OG-NE2 3.48Å
95	F	97.3	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.296	C	S	.	.			trans	-148.8	51.9	176.9	-164.9	-128.4	0	0	0	110.9	C45 L55 W57 L70 V72 A86 T87 L97	C45-F95 PolarHBondContact O-N 2.99Å; L55-F95 HydrophobicContact CB-CB 4.32Å; L55-F95 HydrophobicContact CB-CD1 3.62Å; L55-F95 HydrophobicContact CB-CD2 4.08Å; L55-F95 HydrophobicContact CB-CE1 3.83Å; L55-F95 HydrophobicContact CB-CE2 4.31Å; L55-F95 HydrophobicContact CB-CG 3.75Å; L55-F95 HydrophobicContact CB-CZ 4.18Å; L55-F95 HydrophobicContact CD1-CB 3.81Å; L55-F95 HydrophobicContact CD1-CD2 4.16Å; L55-F95 HydrophobicContact CD1-CG 3.99Å; L55-F95 HydrophobicContact CG-CG 4.48Å; W57-F95 AromaticContact CD1-CD1 3.43Å; W57-F95 VanDerWaalsContact CD1-CD1 3.43Å; W57-F95 AromaticContact CD1-CE1 3.22Å; W57-F95 HydrophobicContact CG-CD1 4.47Å; W57-F95 HydrophobicContact CG-CE1 4.21Å; W57-F95 AromaticContact NE1-CD1 3.38Å; W57-F95 AromaticContact NE1-CE1 3.71Å; W57-F95 PolarHBondContact NE1-O 2.84Å; L70-F95 HydrophobicContact CB-CZ 4.46Å; V72-F95 HydrophobicContact CB-CE2 3.86Å; V72-F95 HydrophobicContact CB-CZ 4.01Å; V72-F95 HydrophobicContact CG2-CE2 3.7Å; V72-F95 HydrophobicContact CG2-CZ 3.75Å; A86-F95 HydrophobicContact CB-CD1 4.42Å; A86-F95 HydrophobicContact CB-CD2 3.86Å; A86-F95 HydrophobicContact CB-CE1 4.13Å; A86-F95 HydrophobicContact CB-CE2 3.49Å; A86-F95 VanDerWaalsContact CB-CE2 3.49Å; A86-F95 HydrophobicContact CB-CG 4.3Å; A86-F95 HydrophobicContact CB-CZ 3.65Å; T87-F95 WeakPolarHBondContact O-CD2 3.33Å; F95-L97 PolarHBondContact O-N 2.82Å
96	H	97.4	Very high	96.4	Very high	39 Å²	39	47.6 Å²	47.6	18%	0.181	28%	0.282	C	S	.	.			trans	-59.6	133.4	-177.4	-55.6	-78	0	0	0	111.8	F42 I43 N44 C45 A86 S94	F42-H96 HydrophobicContact CE2-CB 3.82Å; F42-H96 HydrophobicContact CZ-CB 3.86Å; F42-H96 AromaticContact CZ-CG 3.74Å; F42-H96 AromaticContact CZ-ND1 3.74Å; I43-H96 WeakPolarHBondContact O-CA 3.35Å; N44-H96 WeakPolarHBondContact CA-ND1 3.1Å; N44-H96 PolarHBondContact OD1-CE1 3.43Å; N44-H96 VanDerWaalsContact OD1-CE1 3.3Å; N44-H96 PolarHBondContact OD1-ND1 2.86Å; N44-H96 VanDerWaalsContact OD1-ND1 3.1Å; C45-H96 PolarHBondContact N-ND1 3.36Å; A86-H96 WeakPolarHBondContact CA-O 3.16Å; A86-H96 WeakPolarHBondContact CB-O 3.27Å; S94-H96 VanDerWaalsContact CB-CD2 3.46Å; S94-H96 WeakPolarHBondContact CB-CD2 3.46Å; S94-H96 WeakPolarHBondContact CB-NE2 3.46Å; S94-H96 PolarHBondContact OG-CD2 3.25Å; S94-H96 VanDerWaalsContact OG-CD2 3.27Å; S94-H96 PolarHBondContact OG-NE2 3.48Å
97	L	97.8	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.9	173.2	-165.2	67.3	0	0	0	109.9	F42 I43 W57 L69 L70 F84 E85 A86 F95 Y110	F42-L97 WeakPolarHBondContact CA-O 3.22Å; I43-L97 HydrophobicContact CB-CB 4.1Å; I43-L97 HydrophobicContact CD1-CD2 3.97Å; I43-L97 HydrophobicContact CG1-CB 4.47Å; I43-L97 PolarHBondContact N-O 2.82Å; I43-L97 PolarHBondContact O-N 2.61Å; W57-L97 HydrophobicContact CB-CD1 4.34Å; W57-L97 HydrophobicContact CD2-CB 3.97Å; W57-L97 HydrophobicContact CD2-CD1 4.17Å; W57-L97 HydrophobicContact CD2-CD2 4.1Å; W57-L97 HydrophobicContact CD2-CG 4.32Å; W57-L97 HydrophobicContact CE3-CB 4.44Å; W57-L97 HydrophobicContact CE3-CD2 4.09Å; W57-L97 HydrophobicContact CG-CB 4.46Å; W57-L97 HydrophobicContact CG-CD1 3.83Å; W57-L97 HydrophobicContact CG-CD2 4.44Å; W57-L97 HydrophobicContact CG-CG 4.48Å; W57-L97 HydrophobicContact CH2-CB 4.18Å; W57-L97 HydrophobicContact CZ2-CB 3.65Å; L69-L97 HydrophobicContact CD2-CD1 4.22Å; L69-L97 HydrophobicContact CD2-CD2 3.91Å; L70-L97 HydrophobicContact CD1-CD1 3.4Å; L70-L97 VanDerWaalsContact CD1-CD1 3.4Å; F84-L97 HydrophobicContact CB-CD1 3.94Å; F84-L97 HydrophobicContact CB-CG 4.47Å; F84-L97 HydrophobicContact CD1-CD1 4.25Å; F84-L97 HydrophobicContact CD1-CD2 3.72Å; F84-L97 HydrophobicContact CD1-CG 3.92Å; F84-L97 HydrophobicContact CE1-CD2 4.22Å; E85-L97 CarbonylContact O-C 3.56Å; E85-L97 WeakPolarHBondContact O-CA 3.1Å; A86-L97 HydrophobicContact CB-CD1 4.28Å; F95-L97 PolarHBondContact O-N 2.82Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 4.08Å; L97-Y110 HydrophobicContact CD2-CG 4.34Å
98	Q	97.6	Very high	96.1	Very high	67 Å²	67	46.9 Å²	46.9	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.7	179.7	-48.6	-173.9	23.2	0	0	110.2	F40 L41 F42 F84 E85	F40-Q98 HydrophobicContact CE2-CB 4.26Å; F40-Q98 HydrophobicContact CZ-CB 4.05Å; F40-Q98 HydrophobicContact CZ-CG 4.3Å; L41-Q98 VanDerWaalsContact O-CA 3.26Å; L41-Q98 WeakPolarHBondContact O-CA 3.15Å; F42-Q98 HydrophobicContact CD2-CG 3.81Å; F42-Q98 HydrophobicContact CE2-CG 4.12Å; F84-Q98 CarbonylContact C-O 3.51Å; F84-Q98 VanDerWaalsContact CA-O 3.27Å; F84-Q98 WeakPolarHBondContact CA-O 3.38Å; E85-Q98 PolarHBondContact N-O 3.36Å; E85-Q98 PolarHBondContact O-N 2.77Å
99	K	97.7	Very high	96	Very high	18 Å²	18	47.6 Å²	47.6	8%	0.078	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	131	166.6	178.7	163.8	-179.5	167.7	0	108.9	F40 L41 R82 F84 S101 D106	F40-K99 WeakPolarHBondContact CD2-O 3.38Å; L41-K99 HydrophobicContact CB-CB 4.14Å; L41-K99 HydrophobicContact CD2-CB 4.32Å; L41-K99 PolarHBondContact N-O 3.09Å; L41-K99 PolarHBondContact O-N 3.3Å; L41-K99 VanDerWaalsContact O-N 3.08Å; R82-K99 PolarHBondContact O-NZ 2.78Å; F84-K99 HydrophobicContact CD1-CB 3.82Å; F84-K99 HydrophobicContact CD1-CD 3.99Å; F84-K99 HydrophobicContact CD1-CG 4.5Å; F84-K99 HydrophobicContact CD2-CD 3.99Å; F84-K99 HydrophobicContact CE1-CB 4.01Å; F84-K99 HydrophobicContact CE1-CD 3.7Å; F84-K99 HydrophobicContact CE2-CD 3.68Å; F84-K99 HydrophobicContact CG-CB 4.37Å; F84-K99 HydrophobicContact CG-CD 4.13Å; F84-K99 HydrophobicContact CZ-CD 3.51Å; K99-S101 WeakPolarHBondContact CE-O 3.46Å; K99-S101 WeakPolarHBondContact CG-O 3.21Å; K99-D106 WeakPolarHBondContact CE-OD2 3.43Å; K99-D106 IonicContact NZ-OD1 3.64Å; K99-D106 PolarHBondContact NZ-OD1 3.46Å; K99-D106 IonicContact NZ-OD2 2.71Å; K99-D106 PolarHBondContact NZ-OD2 2.93Å
100	A	97.4	Very high	95.9	Very high	81 Å²	81	45.2 Å²	45.2	67%	0.669	27%	0.272	S	S	*	.	S	Bend	trans	-65.2	-42.4	-170.3	0	0	0	0	0	113.3
101	S	96.3	Very high	95.7	Very high	39 Å²	39	40.6 Å²	40.6	27%	0.273	25%	0.252	S	S	.	.	S	Bend	trans	-141.1	122.6	176	136.3	0	0	0	0	107.6	D38 D39 K99	D38-S101 PolarHBondContact OD1-OG 2.88Å; D39-S101 WeakPolarHBondContact O-CA 3.22Å; K99-S101 WeakPolarHBondContact CE-O 3.46Å; K99-S101 WeakPolarHBondContact CG-O 3.21Å
102	V	96.2	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.			trans	-86	149.8	176.2	-66.4	0	0	0	0	111.7	V8 L35 S36 E37 D38 D39 L41 D106	V8-V102 HydrophobicContact CB-CG2 4.19Å; V8-V102 HydrophobicContact CG1-CB 4.39Å; V8-V102 HydrophobicContact CG1-CG2 4.49Å; V8-V102 HydrophobicContact CG2-CB 4.19Å; V8-V102 HydrophobicContact CG2-CG2 3.77Å; L35-V102 HydrophobicContact CB-CG2 4.16Å; L35-V102 HydrophobicContact CD1-CG1 4.44Å; L35-V102 HydrophobicContact CD1-CG2 4.4Å; S36-V102 VanDerWaalsContact O-CG2 3.25Å; S36-V102 WeakPolarHBondContact O-CG2 3.4Å; E37-V102 WeakPolarHBondContact CA-O 3.28Å; D38-V102 PolarHBondContact N-O 2.87Å; D39-V102 HydrophobicContact CB-CG2 4.29Å; D39-V102 WeakPolarHBondContact O-CG2 3.46Å; D39-V102 PolarHBondContact O-N 3.42Å; D39-V102 VanDerWaalsContact O-N 3.08Å; L41-V102 HydrophobicContact CB-CG1 3.5Å; L41-V102 HydrophobicContact CD2-CG1 4.23Å; L41-V102 HydrophobicContact CG-CG1 4.4Å; V102-D106 WeakPolarHBondContact CA-OD2 3.19Å
103	Q	95.3	Very high	95.6	Very high	103 Å²	103	35.5 Å²	35.5	48%	0.481	21%	0.21	S	C	.	.			trans	-120.2	162.2	173.3	-63	176.1	34.5	0	0	109.7	V8 S105 D106	V8-Q103 WeakPolarHBondContact CG2-O 3.28Å; Q103-S105 PolarHBondContact O-N 3.27Å; Q103-S105 VanDerWaalsContact O-N 3.09Å; Q103-D106 PolarHBondContact N-OD2 3.07Å; Q103-D106 VanDerWaalsContact O-CB 3.26Å; Q103-D106 WeakPolarHBondContact O-CB 3.38Å; Q103-D106 PolarHBondContact O-N 2.99Å
104	E	92.6	Very high	95.4	Very high	121 Å²	121	34 Å²	34	57%	0.565	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-50.7	-38.6	176.3	-169.2	-175	176.7	0	0	112.4	V6 E37 D106 S107	V6-E104 HydrophobicContact CG1-CB 4.03Å; V6-E104 HydrophobicContact CG1-CG 4.06Å; E37-E104 PolarHBondContact OE1-N 2.77Å; E104-D106 PolarHBondContact O-N 2.92Å; E104-D106 VanDerWaalsContact O-N 3.11Å; E104-S107 VanDerWaalsContact O-CB 3.25Å; E104-S107 WeakPolarHBondContact O-CB 3.37Å; E104-S107 PolarHBondContact O-N 3.36Å; E104-S107 PolarHBondContact O-OG 3.43Å
105	S	93	Very high	95	Very high	79 Å²	79	40.2 Å²	40.2	55%	0.552	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-63.4	-12.9	177.5	68	0	0	0	0	114.9	Y61 Q103 S107	Y61-S105 WeakPolarHBondContact CE1-O 3.47Å; Q103-S105 PolarHBondContact O-N 3.27Å; Q103-S105 VanDerWaalsContact O-N 3.09Å; S105-S107 VanDerWaalsContact C-N 3.28Å
106	D	95.4	Very high	94.8	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-84.2	-2.1	173.3	-62.6	-47.9	0	0	0	112.9	V8 F84 K99 V102 Q103 E104 A108 Y110	V8-D106 HydrophobicContact CG1-CB 4.29Å; F84-D106 WeakPolarHBondContact CE2-OD1 3.31Å; F84-D106 HydrophobicContact CZ-CB 4.14Å; F84-D106 WeakPolarHBondContact CZ-OD1 3.28Å; K99-D106 WeakPolarHBondContact CE-OD2 3.43Å; K99-D106 IonicContact NZ-OD1 3.64Å; K99-D106 PolarHBondContact NZ-OD1 3.46Å; K99-D106 IonicContact NZ-OD2 2.71Å; K99-D106 PolarHBondContact NZ-OD2 2.93Å; V102-D106 WeakPolarHBondContact CA-OD2 3.19Å; Q103-D106 PolarHBondContact N-OD2 3.07Å; Q103-D106 VanDerWaalsContact O-CB 3.26Å; Q103-D106 WeakPolarHBondContact O-CB 3.38Å; Q103-D106 PolarHBondContact O-N 2.99Å; E104-D106 PolarHBondContact O-N 2.92Å; E104-D106 VanDerWaalsContact O-N 3.11Å; D106-A108 PolarHBondContact O-N 2.85Å; D106-A108 VanDerWaalsContact O-N 3.08Å; D106-Y110 WeakPolarHBondContact O-CE2 3.17Å; D106-Y110 PolarHBondContact O-OH 2.81Å
107	S	95.3	Very high	94.7	Very high	35 Å²	35	42.4 Å²	42.4	25%	0.245	25%	0.252	C	S	.	.			trans	-65.7	108.9	175.8	-61.5	0	0	0	0	110.8	T9 E104 S105	T9-S107 PolarHBondContact N-OG 3.3Å; T9-S107 VanDerWaalsContact N-OG 3.08Å; T9-S107 CarbonylContact O-C 3.51Å; T9-S107 WeakPolarHBondContact O-CA 3.46Å; T9-S107 WeakPolarHBondContact O-CB 3.41Å; E104-S107 VanDerWaalsContact O-CB 3.25Å; E104-S107 WeakPolarHBondContact O-CB 3.37Å; E104-S107 PolarHBondContact O-N 3.36Å; E104-S107 PolarHBondContact O-OG 3.43Å; S105-S107 VanDerWaalsContact C-N 3.28Å
108	A	95	Very high	94.5	Very high	7 Å²	7	44.7 Å²	44.7	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	175.1	-173.2	0	0	0	0	0	111.9	T9 M11 V59 Q60 Y61 D106 Y110	T9-A108 PolarHBondContact O-N 3.1Å; M11-A108 PolarHBondContact N-O 3.43Å; V59-A108 HydrophobicContact CG2-CB 3.44Å; V59-A108 VanDerWaalsContact CG2-CB 3.44Å; Q60-A108 WeakPolarHBondContact O-CB 3.24Å; Y61-A108 HydrophobicContact CD1-CB 3.73Å; Y61-A108 HydrophobicContact CE1-CB 3.92Å; Y61-A108 HydrophobicContact CG-CB 4.49Å; D106-A108 PolarHBondContact O-N 2.85Å; D106-A108 VanDerWaalsContact O-N 3.08Å; A108-Y110 HydrophobicContact CB-CD2 4.38Å; A108-Y110 HydrophobicContact CB-CE2 3.76Å
109	V	94.6	Very high	94.4	Very high	18 Å²	18	43.4 Å²	43.4	11%	0.109	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.9	165.4	-164.6	0	0	0	0	109.5	M11 L13 V59 Q60 F111	M11-V109 HydrophobicContact CB-CG1 4.45Å; M11-V109 HydrophobicContact CB-CG2 4.09Å; M11-V109 VanDerWaalsContact O-CA 3.27Å; M11-V109 WeakPolarHBondContact O-CA 3.44Å; M11-V109 WeakPolarHBondContact O-CG1 3.01Å; L13-V109 HydrophobicContact CB-CG1 4.05Å; L13-V109 HydrophobicContact CD1-CG1 4.04Å; L13-V109 HydrophobicContact CG-CG1 4.19Å; V59-V109 CarbonylContact C-O 3.58Å; V59-V109 WeakPolarHBondContact CA-O 3.39Å; Q60-V109 HydrophobicContact CB-CB 4.32Å; Q60-V109 PolarHBondContact N-O 2.86Å; Q60-V109 PolarHBondContact O-N 3.08Å; V109-F111 HydrophobicContact CB-CE2 3.87Å; V109-F111 HydrophobicContact CB-CZ 3.83Å; V109-F111 HydrophobicContact CG1-CD1 4.42Å; V109-F111 HydrophobicContact CG1-CD2 4.44Å; V109-F111 HydrophobicContact CG1-CE1 3.67Å; V109-F111 HydrophobicContact CG1-CE2 3.67Å; V109-F111 HydrophobicContact CG1-CZ 3.24Å
110	Y	94.9	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.1	179.3	-64.9	-100.5	0	0	0	110.8	V10 M11 Q28 I43 Y58 V59 L69 F84 L97 D106 A108	V10-Y110 HydrophobicContact CG1-CD2 3.7Å; V10-Y110 HydrophobicContact CG1-CE2 4.02Å; V10-Y110 HydrophobicContact CG2-CE2 4.34Å; M11-Y110 PolarHBondContact O-N 3.11Å; Q28-Y110 PolarHBondContact NE2-O 2.68Å; I43-Y110 HydrophobicContact CD1-CD1 4.4Å; I43-Y110 HydrophobicContact CD1-CD2 4.14Å; I43-Y110 HydrophobicContact CD1-CG 3.86Å; Y58-Y110 WeakPolarHBondContact O-CA 3.48Å; V59-Y110 HydrophobicContact CB-CD1 4.13Å; V59-Y110 HydrophobicContact CB-CE1 4.04Å; V59-Y110 HydrophobicContact CG2-CD1 4.03Å; V59-Y110 HydrophobicContact CG2-CE1 3.63Å; V59-Y110 HydrophobicContact CG2-CE2 4.38Å; L69-Y110 HydrophobicContact CD2-CD1 3.96Å; L69-Y110 HydrophobicContact CD2-CE1 3.87Å; F84-Y110 HydrophobicContact CD1-CE1 4.31Å; F84-Y110 AromaticContact CE1-CE1 3.58Å; F84-Y110 HydrophobicContact CE1-CE1 3.58Å; F84-Y110 AromaticContact CE1-CZ 3.87Å; F84-Y110 AromaticContact CZ-CE1 3.74Å; F84-Y110 HydrophobicContact CZ-CE1 3.74Å; F84-Y110 AromaticContact CZ-CZ 3.81Å; F84-Y110 WeakPolarHBondContact CZ-OH 3.45Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 4.08Å; L97-Y110 HydrophobicContact CD2-CG 4.34Å; D106-Y110 WeakPolarHBondContact O-CE2 3.17Å; D106-Y110 PolarHBondContact O-OH 2.81Å; A108-Y110 HydrophobicContact CB-CD2 4.38Å; A108-Y110 HydrophobicContact CB-CE2 3.76Å
111	F	91.9	Very high	93.9	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.096	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129	-176.6	-50	-89.6	0	0	0	111.3	L13 M15 W57 Y58 Q60 V109	L13-F111 HydrophobicContact CB-CE1 3.77Å; L13-F111 WeakPolarHBondContact O-CD1 3.43Å; M15-F111 HydrophobicContact CG-CD1 4.01Å; M15-F111 HydrophobicContact CG-CE1 4.25Å; W57-F111 CarbonylContact C-O 3.59Å; W57-F111 WeakPolarHBondContact CA-O 3.15Å; W57-F111 VanDerWaalsContact CE3-O 3.23Å; Y58-F111 PolarHBondContact N-O 2.74Å; Y58-F111 PolarHBondContact O-N 2.86Å; Q60-F111 HydrophobicContact CB-CE2 3.69Å; V109-F111 HydrophobicContact CB-CE2 3.87Å; V109-F111 HydrophobicContact CB-CZ 3.83Å; V109-F111 HydrophobicContact CG1-CD1 4.42Å; V109-F111 HydrophobicContact CG1-CD2 4.44Å; V109-F111 HydrophobicContact CG1-CE1 3.67Å; V109-F111 HydrophobicContact CG1-CE2 3.67Å; V109-F111 HydrophobicContact CG1-CZ 3.24Å
112	C	95.3	Very high	93.8	Very high	15 Å²	15	42.9 Å²	42.9	10%	0.101	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.9	169.2	-165	0	0	0	0	110.6	V26 Q28 C45 W57	V26-C112 HydrophobicContact CG1-CB 3.86Å; Q28-C112 VanDerWaalsContact OE1-N 3.14Å; C45-C112 HydrophobicContact CB-CB 3.56Å; C45-C112 WeakPolarHBondContact CB-SG 3.42Å; C45-C112 WeakPolarHBondContact SG-CB 3.38Å; C45-C112 CovalentContact SG-SG 2.02Å; C45-C112 PolarHBondContact SG-SG 2.72Å; W57-C112 HydrophobicContact CD2-CB 4.23Å; W57-C112 HydrophobicContact CE3-CB 4.16Å; W57-C112 HydrophobicContact CH2-CB 3.68Å; W57-C112 HydrophobicContact CZ2-CB 3.75Å; W57-C112 HydrophobicContact CZ3-CB 3.89Å
113	A	93.8	Very high	93.6	Very high	29 Å²	29	46.2 Å²	46.2	24%	0.24	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.2	178.8	0	0	0	0	0	111.4	L56	L56-A113 HydrophobicContact CB-CB 4.44Å; L56-A113 HydrophobicContact CD1-CB 4.46Å; L56-A113 PolarHBondContact N-O 3.34Å; L56-A113 PolarHBondContact O-N 2.85Å
114	L	92	Very high	93.4	Very high	32 Å²	32	41.4 Å²	41.4	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.6	168.1	72.7	87.1	0	0	0	108.9	D24 S25 V26 P53 T54 L55	D24-L114 HydrophobicContact CB-CD1 3.56Å; D24-L114 HydrophobicContact CB-CD2 4.15Å; D24-L114 HydrophobicContact CB-CG 4.49Å; S25-L114 VanDerWaalsContact O-CD2 3.22Å; S25-L114 WeakPolarHBondContact O-CD2 3.38Å; V26-L114 HydrophobicContact CG2-CB 4.16Å; V26-L114 HydrophobicContact CG2-CD2 3.59Å; V26-L114 HydrophobicContact CG2-CG 3.91Å; P53-L114 HydrophobicContact CB-CB 4.23Å; T54-L114 CarbonylContact O-C 3.44Å; T54-L114 WeakPolarHBondContact O-CA 3.38Å; L55-L114 HydrophobicContact CD2-CB 3.68Å
115	V	87.7	Confident	93.5	Very high	133 Å²	133	34.2 Å²	34.2	81%	0.806	22%	0.219	S	C	*	.			trans	-138.7	0	177.2	-176.7	0	0	0	0	110.3	P53 T54 L56	P53-V115 CarbonylContact C-O 3.57Å; T54-V115 PolarHBondContact N-O 3.02Å; T54-V115 PolarHBondContact O-N 3.47Å; L56-V115 HydrophobicContact CD1-CB 4.23Å; L56-V115 HydrophobicContact CD1-CG2 3.67Å

Retrieved 115 of 115 residues in 119.6 ms (Link to these results)

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