A0A3Q0KG38_SCHMA Loading...

Archease domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KG38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 aa.

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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	47.7	Very low	67	Low	239 Å²	239	133.3 Å²	133.3	100%	1.177	81%	0.813	S	S	*	*				0	112.3	0	-64.9	-165.2	-179.6	0	0	107.4
2	P	47.2	Very low	68.5	Low	136 Å²	136	135.8 Å²	135.8	88%	0.883	82%	0.815	S	S	*	*			trans	-79.1	129	174.5	0	18.6	0	0	0	108.6
3	G	54.9	Low	69.9	Low	67 Å²	67	133.5 Å²	133.5	69%	0.691	81%	0.805	S	S	*	*			trans	-61.2	140.9	-176.2	0	0	0	0	0	112.2	N5	G3-N5 PolarHBondContact O-N 2.75Å
4	S	63	Low	71.4	Confident	118 Å²	118	134.3 Å²	134.3	83%	0.825	80%	0.796	S	S	*	*			trans	-59.7	108.1	165.1	52.5	0	0	0	0	108	G6	S4-G6 PolarHBondContact O-N 2.9Å
5	N	61.9	Low	72.4	Confident	153 Å²	153	131.8 Å²	131.8	82%	0.818	78%	0.782	S	S	*	*			trans	-64.7	89.9	164	-76.9	-17	0	0	0	106.7	G3 I7	G3-N5 PolarHBondContact O-N 2.75Å; N5-I7 PolarHBondContact O-N 2.91Å
6	G	68.6	Low	73.4	Confident	70 Å²	70	133.9 Å²	133.9	72%	0.722	78%	0.778	S	S	*	*			trans	-63.1	105	172.3	0	0	0	0	0	107.2	S4 D8	S4-G6 PolarHBondContact O-N 2.9Å; G6-D8 PolarHBondContact O-N 3.32Å
7	I	71.1	Confident	74.2	Confident	147 Å²	147	134.8 Å²	134.8	75%	0.754	77%	0.767	S	S	*	*			trans	-68.6	120.3	172.4	-57.6	174.6	0	0	0	105.5	N5 V9	N5-I7 PolarHBondContact O-N 2.91Å; I7-V9 HydrophobicContact CG2-CG2 4.23Å; I7-V9 PolarHBondContact O-N 2.72Å; I7-V9 VanDerWaalsContact O-N 3.08Å
8	D	80.5	Confident	74.7	Confident	158 Å²	158	135.9 Å²	135.9	85%	0.845	76%	0.764	S	S	*	*			trans	-71.5	99.1	174.2	-162.2	13.7	0	0	0	107.4	G6	G6-D8 PolarHBondContact O-N 3.32Å
9	V	72.8	Confident	74.6	Confident	111 Å²	111	139.6 Å²	139.6	67%	0.673	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-91.6	119.8	-178.2	-178.5	0	0	0	0	107.7	I7	I7-V9 HydrophobicContact CG2-CG2 4.23Å; I7-V9 PolarHBondContact O-N 2.72Å; I7-V9 VanDerWaalsContact O-N 3.08Å
10	P	79.7	Confident	74	Confident	112 Å²	112	139.4 Å²	139.4	73%	0.727	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-68.5	152.6	178	27.4	-32.8	0	0	0	111.4
11	D	89.7	Confident	73.2	Confident	155 Å²	155	141 Å²	141	83%	0.829	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.3	142.8	174.6	-68.7	-42.6	0	0	0	111.1	P13	D11-P13 VanDerWaalsContact O-CD 3.31Å; D11-P13 WeakPolarHBondContact O-CD 3.48Å
12	I	85.1	Confident	73.7	Confident	163 Å²	163	137.4 Å²	137.4	84%	0.836	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-64.2	118.3	175	-61.9	174	0	0	0	107.8
13	P	85.8	Confident	74.3	Confident	106 Å²	106	136.8 Å²	136.8	69%	0.688	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-70.9	155.4	-178.7	28.8	-33.6	0	0	0	111.1	D11 V15	D11-P13 VanDerWaalsContact O-CD 3.31Å; D11-P13 WeakPolarHBondContact O-CD 3.48Å; P13-V15 PolarHBondContact O-N 3.36Å
14	E	91	Very high	74.9	Confident	145 Å²	145	135.1 Å²	135.1	68%	0.678	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-53.7	131.8	173.2	-174.2	-176.9	-172.3	0	0	110.9	K16	E14-K16 HydrophobicContact CG-CG 4.44Å; E14-K16 PolarHBondContact O-N 2.87Å; E14-K16 VanDerWaalsContact O-N 3.09Å; E14-K16 WeakPolarHBondContact OE2-CE 3.45Å; E14-K16 IonicContact OE2-NZ 2.73Å; E14-K16 PolarHBondContact OE2-NZ 2.82Å
15	V	86.7	Confident	75.9	Confident	97 Å²	97	132.7 Å²	132.7	59%	0.588	70%	0.703	S	S	*	*			trans	-64.5	110.8	177.4	172.8	0	0	0	0	109.1	P13 Y17	P13-V15 PolarHBondContact O-N 3.36Å; V15-Y17 HydrophobicContact CB-CE1 4.45Å; V15-Y17 HydrophobicContact CG1-CD1 4Å; V15-Y17 HydrophobicContact CG1-CD2 4.35Å; V15-Y17 HydrophobicContact CG1-CE1 3.7Å; V15-Y17 HydrophobicContact CG1-CE2 4.06Å; V15-Y17 HydrophobicContact CG1-CG 4.31Å; V15-Y17 HydrophobicContact CG2-CE1 4.32Å
16	K	88.2	Confident	77.3	Confident	165 Å²	165	127 Å²	127	72%	0.717	67%	0.674	S	S	*	*			trans	-125.5	37.2	178.9	-68.3	-179.3	-179.4	168.5	0	111.8	E14	E14-K16 HydrophobicContact CG-CG 4.44Å; E14-K16 PolarHBondContact O-N 2.87Å; E14-K16 VanDerWaalsContact O-N 3.09Å; E14-K16 WeakPolarHBondContact OE2-CE 3.45Å; E14-K16 IonicContact OE2-NZ 2.73Å; E14-K16 PolarHBondContact OE2-NZ 2.82Å
17	Y	88	Confident	78.6	Confident	149 Å²	149	127.9 Å²	127.9	58%	0.584	66%	0.659	S	S	*	*			trans	-121.8	146.6	170.4	59.2	-100.3	0	0	0	108.9	V15 Y19	V15-Y17 HydrophobicContact CB-CE1 4.45Å; V15-Y17 HydrophobicContact CG1-CD1 4Å; V15-Y17 HydrophobicContact CG1-CD2 4.35Å; V15-Y17 HydrophobicContact CG1-CE1 3.7Å; V15-Y17 HydrophobicContact CG1-CE2 4.06Å; V15-Y17 HydrophobicContact CG1-CG 4.31Å; V15-Y17 HydrophobicContact CG2-CE1 4.32Å; Y17-Y19 HydrophobicContact CD2-CE2 4.09Å; Y17-Y19 AromaticContact CE2-CE2 3.91Å; Y17-Y19 HydrophobicContact CE2-CE2 3.91Å
18	E	82.8	Confident	79.8	Confident	155 Å²	155	121.5 Å²	121.5	72%	0.724	63%	0.627	S	S	*	*			trans	-130.6	152.3	171	64.6	-174.3	149.1	0	0	108.4	L20	E18-L20 HydrophobicContact CG-CD2 4.28Å; E18-L20 HydrophobicContact CG-CG 4.33Å
19	Y	72	Confident	80.6	Confident	207 Å²	207	117.5 Å²	117.5	81%	0.812	60%	0.603	S	S	*	*			trans	-98.8	126.8	174.1	-59.6	-79.2	0	0	0	107.7	Y17	Y17-Y19 HydrophobicContact CD2-CE2 4.09Å; Y17-Y19 AromaticContact CE2-CE2 3.91Å; Y17-Y19 HydrophobicContact CE2-CE2 3.91Å
20	L	63	Low	81.8	Confident	134 Å²	134	112.5 Å²	112.5	70%	0.702	57%	0.572	S	S	*	*			trans	-112.4	133.6	176.7	-61	175.4	0	0	0	108.2	E18 H22	E18-L20 HydrophobicContact CG-CD2 4.28Å; E18-L20 HydrophobicContact CG-CG 4.33Å; L20-H22 PolarHBondContact O-N 2.94Å; L20-H22 VanDerWaalsContact O-N 3.15Å
21	D	58.1	Low	82.7	Confident	173 Å²	173	114.8 Å²	114.8	93%	0.925	57%	0.567	S	S	*	*			trans	-62.6	115.2	175	-80.8	-26.8	0	0	0	109.5
22	H	56.5	Low	83	Confident	164 Å²	164	108.2 Å²	108.2	76%	0.759	54%	0.535	S	S	*	.			trans	-116.4	97.1	165.8	-172.2	61.4	0	0	0	106	L20 A24	L20-H22 PolarHBondContact O-N 2.94Å; L20-H22 VanDerWaalsContact O-N 3.15Å; H22-A24 PolarHBondContact O-N 2.8Å
23	T	60.3	Low	83.4	Confident	123 Å²	123	104.7 Å²	104.7	76%	0.755	53%	0.525	S	S	*	.			trans	-70.6	81.4	170.4	53	0	0	0	0	107.3	D25	T23-D25 PolarHBondContact O-N 3.02Å
24	A	67.1	Low	83.9	Confident	33 Å²	33	102.7 Å²	102.7	27%	0.273	51%	0.509	S	S	.	.			trans	-65.4	-22.9	165.3	0	0	0	0	0	109.9	H22 I155	H22-A24 PolarHBondContact O-N 2.8Å; A24-I155 WeakPolarHBondContact O-CD1 3.42Å; A24-I155 WeakPolarHBondContact O-CG1 3.49Å
25	D	84.3	Confident	84.1	Confident	66 Å²	66	95.9 Å²	95.9	35%	0.353	48%	0.477	S	S	.	.			trans	-79.1	156.8	-169.5	-39.7	-57.6	0	0	0	115	T23 I152 I153	T23-D25 PolarHBondContact O-N 3.02Å; D25-I152 HydrophobicContact CB-CG2 3.27Å; D25-I153 WeakPolarHBondContact CA-O 3.15Å; D25-I153 WeakPolarHBondContact CB-O 3.31Å
26	V	92.2	Very high	84.7	Confident	35 Å²	35	93.3 Å²	93.3	21%	0.212	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.6	174.6	174.7	0	0	0	0	109.8	L28 Y49 I152 I153 I155	V26-L28 HydrophobicContact CG1-CD2 4.33Å; V26-Y49 HydrophobicContact CB-CE1 4.49Å; V26-Y49 HydrophobicContact CG1-CE2 4.25Å; V26-Y49 HydrophobicContact CG2-CE1 4.07Å; V26-Y49 HydrophobicContact CG2-CE2 4.43Å; V26-Y49 WeakPolarHBondContact CG2-OH 3.28Å; V26-I152 WeakPolarHBondContact O-CA 3.34Å; V26-I153 HydrophobicContact CB-CD1 4.37Å; V26-I153 HydrophobicContact CB-CG1 3.97Å; V26-I153 PolarHBondContact N-O 3.43Å; V26-I153 WeakPolarHBondContact O-CG1 3.18Å; V26-I153 PolarHBondContact O-N 3.01Å; V26-I155 HydrophobicContact CG2-CD1 3.96Å
27	Q	94.9	Very high	85.1	Confident	88 Å²	88	88.1 Å²	88.1	41%	0.411	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.1	171.1	-170.8	171.6	64	0	0	110.3	N137 F150 V151 I152	Q27-N137 PolarHBondContact NE2-ND2 3.3Å; Q27-N137 VanDerWaalsContact NE2-ND2 3.13Å; Q27-F150 HydrophobicContact CG-CB 4.43Å; Q27-F150 HydrophobicContact CG-CD1 4.48Å; Q27-V151 CarbonylContact C-O 3.46Å; Q27-V151 WeakPolarHBondContact CA-O 3.38Å; Q27-I152 HydrophobicContact CB-CG1 4.07Å; Q27-I152 HydrophobicContact CG-CG1 4.13Å
28	L	96.9	Very high	85.6	Confident	13 Å²	13	81 Å²	81	7%	0.068	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.4	167.2	-56.5	-176.5	0	0	0	109.6	V26 I42 M46 F150 V151 I153	V26-L28 HydrophobicContact CG1-CD2 4.33Å; L28-I42 HydrophobicContact CB-CD1 3.49Å; L28-I42 VanDerWaalsContact CB-CD1 3.49Å; L28-I42 HydrophobicContact CB-CG1 4.34Å; L28-M46 HydrophobicContact CD1-CB 3.81Å; L28-F150 WeakPolarHBondContact O-CA 3.34Å; L28-V151 PolarHBondContact N-O 3.31Å; L28-V151 PolarHBondContact O-N 3.39Å; L28-I153 HydrophobicContact CD1-CD1 4.06Å; L28-I153 HydrophobicContact CD1-CG2 3.87Å; L28-I153 HydrophobicContact CD2-CD1 3.99Å; L28-I153 HydrophobicContact CG-CD1 4.01Å; L28-I153 HydrophobicContact CG-CG1 4.39Å; L28-I153 HydrophobicContact CG-CG2 4.25Å
29	H	97.6	Very high	86.4	Confident	74 Å²	74	73.7 Å²	73.7	34%	0.343	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.1	172.6	173.8	-143.7	0	0	0	109	W31 E148 L149 F150	H29-W31 AromaticContact CE1-CE3 3.73Å; H29-W31 AromaticContact ND1-CE3 3.87Å; H29-W31 AromaticContact ND1-CZ3 3.8Å; H29-E148 IonicContact CD2-OE2 2.89Å; H29-E148 IonicContact CE1-OE2 2.79Å; H29-E148 IonicContact NE2-OE2 2.63Å; H29-E148 PolarHBondContact NE2-OE2 3.21Å; H29-L149 WeakPolarHBondContact CA-O 3.22Å; H29-L149 PolarHBondContact CD2-O 3.4Å; H29-F150 HydrophobicContact CB-CD1 4.06Å; H29-F150 HydrophobicContact CB-CE1 3.98Å; H29-F150 AromaticContact CD2-CD1 3.88Å; H29-F150 AromaticContact CD2-CE1 3.36Å; H29-F150 WeakPolarHBondContact CD2-CE1 3.49Å; H29-F150 AromaticContact CD2-CE2 3.77Å; H29-F150 AromaticContact CD2-CZ 3.3Å; H29-F150 WeakPolarHBondContact CD2-CZ 3.29Å; H29-F150 AromaticContact CE1-CZ 4Å; H29-F150 AromaticContact CG-CE1 3.6Å; H29-F150 AromaticContact CG-CZ 3.98Å; H29-F150 AromaticContact NE2-CE1 3.78Å; H29-F150 AromaticContact NE2-CE2 3.89Å; H29-F150 AromaticContact NE2-CZ 3.32Å; H29-F150 VanDerWaalsContact NE2-CZ 3.32Å; H29-F150 WeakPolarHBondContact NE2-CZ 3.44Å
30	S	98.4	Very high	87.6	Confident	5 Å²	5	64.4 Å²	64.4	4%	0.035	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.1	173.6	78.6	0	0	0	0	111	A38 I42 E148 L149	S30-A38 PolarHBondContact OG-O 3.47Å; S30-I42 WeakPolarHBondContact OG-CB 3.17Å; S30-E148 CarbonylContact O-C 3.59Å; S30-E148 VanDerWaalsContact O-CA 3.26Å; S30-E148 WeakPolarHBondContact O-CA 3.09Å; S30-L149 PolarHBondContact N-O 3.15Å; S30-L149 PolarHBondContact O-N 3.04Å
31	W	98.3	Very high	89.3	Confident	161 Å²	161	61.5 Å²	61.5	61%	0.61	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	166.2	173.6	61.4	90.5	0	0	0	110.9	H29 H147 E148	H29-W31 AromaticContact CE1-CE3 3.73Å; H29-W31 AromaticContact ND1-CE3 3.87Å; H29-W31 AromaticContact ND1-CZ3 3.8Å; W31-H147 CarbonylContact C-O 3.56Å; W31-H147 WeakPolarHBondContact CA-O 3.37Å; W31-E148 HydrophobicContact CB-CG 3.94Å
32	G	95.2	Very high	91.3	Very high	16 Å²	16	53.3 Å²	53.3	17%	0.165	28%	0.28	C	S	.	.			trans	-160.2	175.2	177.2	0	0	0	0	0	113.4	N34 H147	G32-N34 PolarHBondContact O-N 2.88Å; G32-H147 PolarHBondContact N-O 3.27Å; G32-H147 VanDerWaalsContact N-O 3.14Å
33	S	94.8	Very high	93.3	Very high	89 Å²	89	45.5 Å²	45.5	62%	0.622	24%	0.244	S	C	*	.	S	Bend	trans	-67.2	-14.9	171.7	61.6	0	0	0	0	113.4	E37	S33-E37 VanDerWaalsContact CB-OE2 3.26Å; S33-E37 WeakPolarHBondContact CB-OE2 3.41Å; S33-E37 PolarHBondContact N-OE2 3.26Å; S33-E37 PolarHBondContact OG-OE2 3.46Å
34	N	95.6	Very high	95.1	Very high	65 Å²	65	40.9 Å²	40.9	35%	0.348	21%	0.214	S	C	.	.	S	Bend	trans	-158.8	172.2	174.5	56.6	65	0	0	0	109.2	G32 T36 E37 A38 H147	G32-N34 PolarHBondContact O-N 2.88Å; N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 PolarHBondContact O-N 2.92Å; N34-T36 WeakPolarHBondContact OD1-CA 3.38Å; N34-T36 WeakPolarHBondContact OD1-CB 3.29Å; N34-T36 PolarHBondContact OD1-N 2.86Å; N34-E37 PolarHBondContact O-N 3.49Å; N34-E37 PolarHBondContact OD1-N 3.04Å; N34-A38 PolarHBondContact O-N 2.71Å; N34-H147 VanDerWaalsContact CA-CD2 3.44Å; N34-H147 WeakPolarHBondContact CA-CD2 3.43Å
35	Q	95.8	Very high	96.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-33.1	-178.9	-159	60.7	34.9	0	0	113.7	A38 F39 F103 K105	Q35-A38 PolarHBondContact O-N 3.22Å; Q35-F39 HydrophobicContact CG-CD2 4.11Å; Q35-F39 HydrophobicContact CG-CE2 4.02Å; Q35-F39 WeakPolarHBondContact O-CD2 3.41Å; Q35-F39 PolarHBondContact O-N 2.96Å; Q35-F39 VanDerWaalsContact O-N 3.07Å; Q35-F103 HydrophobicContact CG-CE1 4.41Å; Q35-K105 VanDerWaalsContact CB-NZ 3.28Å
36	T	97.9	Very high	97.2	Very high	43 Å²	43	37.5 Å²	37.5	26%	0.264	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-50.3	177.2	-50.2	0	0	0	0	110.2	N34 A38 F39 E40 I100 F103	N34-T36 VanDerWaalsContact C-N 3.26Å; N34-T36 PolarHBondContact O-N 2.92Å; N34-T36 WeakPolarHBondContact OD1-CA 3.38Å; N34-T36 WeakPolarHBondContact OD1-CB 3.29Å; N34-T36 PolarHBondContact OD1-N 2.86Å; T36-A38 VanDerWaalsContact C-N 3.31Å; T36-A38 PolarHBondContact O-N 3.31Å; T36-F39 PolarHBondContact O-N 3.44Å; T36-E40 WeakPolarHBondContact O-CG 3.13Å; T36-E40 PolarHBondContact O-N 2.9Å; T36-I100 HydrophobicContact CG2-CB 3.58Å; T36-I100 HydrophobicContact CG2-CD1 3.63Å; T36-I100 HydrophobicContact CG2-CG1 4.17Å; T36-I100 HydrophobicContact CG2-CG2 3.94Å; T36-I100 WeakPolarHBondContact O-CD1 3.49Å; T36-F103 HydrophobicContact CG2-CD1 4.24Å
37	E	97.7	Very high	97.4	Very high	57 Å²	57	35.8 Å²	35.8	27%	0.266	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-38.9	178.1	-176.9	173.8	-163	0	0	111.7	S33 N34 F39 E40 Q41	S33-E37 VanDerWaalsContact CB-OE2 3.26Å; S33-E37 WeakPolarHBondContact CB-OE2 3.41Å; S33-E37 PolarHBondContact N-OE2 3.26Å; S33-E37 PolarHBondContact OG-OE2 3.46Å; N34-E37 PolarHBondContact O-N 3.49Å; N34-E37 PolarHBondContact OD1-N 3.04Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 2.95Å; E37-E40 PolarHBondContact O-N 3.01Å; E37-Q41 HydrophobicContact CG-CG 4.12Å; E37-Q41 WeakPolarHBondContact O-CB 2.96Å; E37-Q41 WeakPolarHBondContact O-CG 3.33Å; E37-Q41 PolarHBondContact O-N 3.25Å
38	A	98.2	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-41.8	176.2	0	0	0	0	0	112.4	S30 N34 Q35 T36 Q41 I42 H147 L149	S30-A38 PolarHBondContact OG-O 3.47Å; N34-A38 PolarHBondContact O-N 2.71Å; Q35-A38 PolarHBondContact O-N 3.22Å; T36-A38 VanDerWaalsContact C-N 3.31Å; T36-A38 PolarHBondContact O-N 3.31Å; A38-Q41 PolarHBondContact O-N 2.96Å; A38-I42 PolarHBondContact O-N 2.78Å; A38-H147 HydrophobicContact CB-CB 4.49Å; A38-H147 WeakPolarHBondContact CB-O 3.36Å; A38-L149 HydrophobicContact CB-CD1 4.12Å; A38-L149 HydrophobicContact CB-CG 4.02Å; A38-L149 WeakPolarHBondContact O-CD1 3.4Å
39	F	98.7	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-42.5	174.2	-89.9	-116.9	0	0	0	112	Q35 T36 E37 Q41 I42 A43 M72 L76 F79 I100 F103 I110 I140 L149	Q35-F39 HydrophobicContact CG-CD2 4.11Å; Q35-F39 HydrophobicContact CG-CE2 4.02Å; Q35-F39 WeakPolarHBondContact O-CD2 3.41Å; Q35-F39 PolarHBondContact O-N 2.96Å; Q35-F39 VanDerWaalsContact O-N 3.07Å; T36-F39 PolarHBondContact O-N 3.44Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 2.95Å; F39-Q41 VanDerWaalsContact C-N 3.31Å; F39-Q41 PolarHBondContact O-N 2.77Å; F39-I42 VanDerWaalsContact O-CG2 3.29Å; F39-I42 WeakPolarHBondContact O-CG2 3.3Å; F39-I42 PolarHBondContact O-N 3.11Å; F39-A43 PolarHBondContact O-N 3.39Å; F39-M72 HydrophobicContact CE2-CE 4.09Å; F39-M72 HydrophobicContact CZ-CE 3.84Å; F39-L76 HydrophobicContact CD1-CD1 3.97Å; F39-L76 HydrophobicContact CE1-CB 3.82Å; F39-L76 HydrophobicContact CE1-CD1 3.77Å; F39-L76 HydrophobicContact CE1-CG 4.38Å; F39-L76 HydrophobicContact CG-CD1 4.44Å; F39-L76 HydrophobicContact CZ-CB 3.76Å; F39-L76 HydrophobicContact CZ-CD1 4.05Å; F39-L76 HydrophobicContact CZ-CG 4.37Å; F39-F79 HydrophobicContact CB-CE1 4.32Å; F39-F79 AromaticContact CD1-CD1 3.9Å; F39-F79 HydrophobicContact CD1-CD1 3.9Å; F39-F79 HydrophobicContact CD1-CE1 4.28Å; F39-F79 HydrophobicContact CD1-CG 4.27Å; F39-F79 VanDerWaalsContact O-CE1 3.31Å; F39-F79 WeakPolarHBondContact O-CE1 3.34Å; F39-I100 HydrophobicContact CB-CD1 3.53Å; F39-I100 HydrophobicContact CG-CD1 4.46Å; F39-F103 HydrophobicContact CD1-CZ 4.19Å; F39-F103 HydrophobicContact CD2-CE1 4.07Å; F39-F103 AromaticContact CD2-CZ 3.97Å; F39-F103 HydrophobicContact CD2-CZ 3.97Å; F39-F103 HydrophobicContact CE1-CZ 4.07Å; F39-F103 HydrophobicContact CE2-CE1 4.41Å; F39-F103 AromaticContact CE2-CZ 3.87Å; F39-F103 HydrophobicContact CE2-CZ 3.87Å; F39-F103 HydrophobicContact CG-CE1 4.16Å; F39-F103 HydrophobicContact CG-CZ 4.16Å; F39-F103 AromaticContact CZ-CZ 3.92Å; F39-F103 HydrophobicContact CZ-CZ 3.92Å; F39-I110 HydrophobicContact CD1-CD1 3.83Å; F39-I110 HydrophobicContact CE1-CD1 4.35Å; F39-I140 HydrophobicContact CZ-CD1 4.4Å; F39-L149 HydrophobicContact CB-CD1 4.38Å; F39-L149 HydrophobicContact CD2-CD1 3.51Å; F39-L149 HydrophobicContact CD2-CD2 4.27Å; F39-L149 HydrophobicContact CD2-CG 4.41Å; F39-L149 HydrophobicContact CE2-CD1 3.95Å; F39-L149 HydrophobicContact CE2-CD2 3.95Å; F39-L149 HydrophobicContact CG-CD1 3.99Å
40	E	98.7	Very high	97.2	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-44.4	174.4	-68	172.3	173.3	0	0	111.4	T36 E37 A43 M44 K99 I100	T36-E40 WeakPolarHBondContact O-CG 3.13Å; T36-E40 PolarHBondContact O-N 2.9Å; E37-E40 PolarHBondContact O-N 3.01Å; E40-A43 PolarHBondContact O-N 2.63Å; E40-M44 HydrophobicContact CB-CE 4.34Å; E40-M44 WeakPolarHBondContact O-CE 3.34Å; E40-M44 WeakPolarHBondContact O-CG 3.31Å; E40-M44 PolarHBondContact O-N 3.36Å; E40-M44 VanDerWaalsContact O-N 3.16Å; E40-K99 VanDerWaalsContact OE1-CA 3.31Å; E40-K99 WeakPolarHBondContact OE1-CA 3.41Å; E40-K99 WeakPolarHBondContact OE1-CD 3.49Å; E40-K99 WeakPolarHBondContact OE2-CD 3.38Å; E40-K99 IonicContact OE2-NZ 3.77Å; E40-K99 PolarHBondContact OE2-NZ 3.35Å; E40-I100 HydrophobicContact CG-CB 4.42Å; E40-I100 HydrophobicContact CG-CD1 3.91Å; E40-I100 HydrophobicContact CG-CG1 3.87Å; E40-I100 PolarHBondContact OE1-N 3.41Å
41	Q	98.6	Very high	96.9	Very high	74 Å²	74	35.3 Å²	35.3	35%	0.346	18%	0.183	S	C	.	.	H	α-helix	trans	-67.9	-36.9	-178.3	-69.3	-70.9	-5.3	0	0	112.8	E37 A38 F39 M44 A45	E37-Q41 HydrophobicContact CG-CG 4.12Å; E37-Q41 WeakPolarHBondContact O-CB 2.96Å; E37-Q41 WeakPolarHBondContact O-CG 3.33Å; E37-Q41 PolarHBondContact O-N 3.25Å; A38-Q41 PolarHBondContact O-N 2.96Å; F39-Q41 VanDerWaalsContact C-N 3.31Å; F39-Q41 PolarHBondContact O-N 2.77Å; Q41-M44 HydrophobicContact CG-CE 4.28Å; Q41-M44 PolarHBondContact O-N 3.05Å; Q41-A45 WeakPolarHBondContact O-CB 3.49Å; Q41-A45 PolarHBondContact O-N 2.96Å
42	I	98.6	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-35.7	179.4	-159.7	75.6	0	0	0	111.9	L28 S30 A38 F39 A45 M46 L76 L80 L149 V151	L28-I42 HydrophobicContact CB-CD1 3.49Å; L28-I42 VanDerWaalsContact CB-CD1 3.49Å; L28-I42 HydrophobicContact CB-CG1 4.34Å; S30-I42 WeakPolarHBondContact OG-CB 3.17Å; A38-I42 PolarHBondContact O-N 2.78Å; F39-I42 VanDerWaalsContact O-CG2 3.29Å; F39-I42 WeakPolarHBondContact O-CG2 3.3Å; F39-I42 PolarHBondContact O-N 3.11Å; I42-A45 PolarHBondContact O-N 3.02Å; I42-M46 PolarHBondContact O-N 2.82Å; I42-L76 HydrophobicContact CG2-CD1 3.94Å; I42-L80 HydrophobicContact CG1-CD1 4.28Å; I42-L80 HydrophobicContact CG2-CD1 4.25Å; I42-L80 HydrophobicContact CG2-CD2 4.06Å; I42-L80 HydrophobicContact CG2-CG 4.42Å; I42-L149 HydrophobicContact CB-CD1 4.16Å; I42-L149 HydrophobicContact CD1-CB 4.48Å; I42-L149 HydrophobicContact CG2-CD1 3.67Å; I42-V151 HydrophobicContact CG1-CB 4.4Å; I42-V151 HydrophobicContact CG1-CG2 4.13Å
43	A	98.6	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-46.7	171.9	0	0	0	0	0	111	F39 E40 A45 M46 F47 F79 L80 V98	F39-A43 PolarHBondContact O-N 3.39Å; E40-A43 PolarHBondContact O-N 2.63Å; A43-A45 VanDerWaalsContact C-N 3.31Å; A43-A45 PolarHBondContact O-N 3.43Å; A43-M46 WeakPolarHBondContact O-CB 3.31Å; A43-M46 PolarHBondContact O-N 2.79Å; A43-F47 WeakPolarHBondContact O-CD2 3.35Å; A43-F47 PolarHBondContact O-N 3.29Å; A43-F79 HydrophobicContact CB-CE1 3.83Å; A43-F79 HydrophobicContact CB-CZ 4.08Å; A43-L80 HydrophobicContact CB-CD2 4.01Å; A43-V98 HydrophobicContact CB-CB 4.44Å; A43-V98 HydrophobicContact CB-CG1 4.35Å; A43-V98 HydrophobicContact CB-CG2 4.12Å
44	M	98.4	Very high	96.4	Very high	26 Å²	26	31.7 Å²	31.7	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-63.8	-35	175.9	-68.4	-175.4	-70.1	0	0	112.5	E40 Q41 F47 N48 V98	E40-M44 HydrophobicContact CB-CE 4.34Å; E40-M44 WeakPolarHBondContact O-CE 3.34Å; E40-M44 WeakPolarHBondContact O-CG 3.31Å; E40-M44 PolarHBondContact O-N 3.36Å; E40-M44 VanDerWaalsContact O-N 3.16Å; Q41-M44 HydrophobicContact CG-CE 4.28Å; Q41-M44 PolarHBondContact O-N 3.05Å; M44-F47 PolarHBondContact O-N 3.04Å; M44-N48 VanDerWaalsContact O-CB 3.28Å; M44-N48 WeakPolarHBondContact O-CB 3.4Å; M44-N48 PolarHBondContact O-N 2.68Å; M44-V98 HydrophobicContact CG-CB 4.23Å; M44-V98 HydrophobicContact CG-CG2 4.16Å
45	A	97.8	Very high	96.4	Very high	28 Å²	28	34.4 Å²	34.4	23%	0.231	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-40.8	175.5	0	0	0	0	0	111.8	Q41 I42 A43 N48 Y49	Q41-A45 WeakPolarHBondContact O-CB 3.49Å; Q41-A45 PolarHBondContact O-N 2.96Å; I42-A45 PolarHBondContact O-N 3.02Å; A43-A45 VanDerWaalsContact C-N 3.31Å; A43-A45 PolarHBondContact O-N 3.43Å; A45-N48 PolarHBondContact O-N 2.98Å; A45-Y49 WeakPolarHBondContact O-CB 3.33Å; A45-Y49 PolarHBondContact O-N 3.07Å
46	M	97.6	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-50.1	174.3	179.5	179.3	71	0	0	111.4	L28 I42 A43 Y49 M50 L80 W83 L84 I133	L28-M46 HydrophobicContact CD1-CB 3.81Å; I42-M46 PolarHBondContact O-N 2.82Å; A43-M46 WeakPolarHBondContact O-CB 3.31Å; A43-M46 PolarHBondContact O-N 2.79Å; M46-Y49 WeakPolarHBondContact O-CB 3.23Å; M46-Y49 PolarHBondContact O-N 2.86Å; M46-Y49 VanDerWaalsContact O-N 3.16Å; M46-M50 HydrophobicContact CE-CE 4.27Å; M46-M50 HydrophobicContact CG-CE 3.61Å; M46-M50 HydrophobicContact CG-SD 4.49Å; M46-M50 WeakPolarHBondContact O-CG 3.47Å; M46-M50 PolarHBondContact O-N 2.85Å; M46-M50 HydrophobicContact SD-CE 3.99Å; M46-L80 HydrophobicContact CE-CD2 4.38Å; M46-L80 HydrophobicContact SD-CD2 4.46Å; M46-W83 HydrophobicContact CE-CB 4Å; M46-L84 HydrophobicContact CE-CB 4.2Å; M46-L84 HydrophobicContact SD-CB 4.33Å; M46-I133 HydrophobicContact SD-CD1 3.59Å; M46-I133 VanDerWaalsContact SD-CD1 3.59Å
47	F	97.6	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-36.2	179.6	-68.7	-63.6	0	0	0	113.6	A43 M44 Y49 M50 T51 Y54 W83 F87 I94 P95	A43-F47 WeakPolarHBondContact O-CD2 3.35Å; A43-F47 PolarHBondContact O-N 3.29Å; M44-F47 PolarHBondContact O-N 3.04Å; F47-Y49 PolarHBondContact O-N 2.94Å; F47-M50 HydrophobicContact CD1-CE 4.44Å; F47-M50 HydrophobicContact CD1-SD 3.5Å; F47-M50 WeakPolarHBondContact CD1-SD 3.5Å; F47-M50 HydrophobicContact CE1-CE 4.36Å; F47-M50 HydrophobicContact CE1-SD 3.86Å; F47-M50 HydrophobicContact CG-SD 4.46Å; F47-M50 PolarHBondContact O-N 3.24Å; F47-M50 VanDerWaalsContact O-N 3.1Å; F47-T51 PolarHBondContact O-N 3.27Å; F47-Y54 HydrophobicContact CB-CD2 4.42Å; F47-Y54 HydrophobicContact CB-CE2 3.64Å; F47-W83 HydrophobicContact CE2-CB 3.95Å; F47-W83 HydrophobicContact CE2-CD2 4.36Å; F47-W83 HydrophobicContact CE2-CE3 4.29Å; F47-W83 HydrophobicContact CE2-CG 4.24Å; F47-W83 HydrophobicContact CZ-CB 3.9Å; F47-W83 HydrophobicContact CZ-CE3 4.34Å; F47-W83 WeakPolarHBondContact CZ-O 3.38Å; F47-F87 HydrophobicContact CD1-CD2 4.38Å; F47-F87 HydrophobicContact CE1-CB 3.67Å; F47-F87 HydrophobicContact CE1-CD2 4.17Å; F47-F87 HydrophobicContact CE1-CG 4.01Å; F47-F87 HydrophobicContact CZ-CB 4.41Å; F47-I94 HydrophobicContact CB-CG1 4.29Å; F47-I94 HydrophobicContact CD1-CG1 4.18Å; F47-I94 HydrophobicContact CG-CG1 4.43Å; F47-P95 HydrophobicContact CD2-CG 3.31Å; F47-P95 HydrophobicContact CE1-CG 4.48Å; F47-P95 VanDerWaalsContact CE2-CD 3.44Å; F47-P95 HydrophobicContact CE2-CG 3.18Å; F47-P95 HydrophobicContact CG-CG 4.02Å; F47-P95 HydrophobicContact CZ-CG 3.81Å
48	N	95.5	Very high	96.3	Very high	86 Å²	86	35.1 Å²	35.1	46%	0.46	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-31.3	173	-167.6	6.8	0	0	0	111.6	M44 A45 Y54	M44-N48 VanDerWaalsContact O-CB 3.28Å; M44-N48 WeakPolarHBondContact O-CB 3.4Å; M44-N48 PolarHBondContact O-N 2.68Å; A45-N48 PolarHBondContact O-N 2.98Å; N48-Y54 HydrophobicContact CB-CD1 3.67Å; N48-Y54 HydrophobicContact CB-CD2 4.39Å; N48-Y54 HydrophobicContact CB-CE1 4.07Å; N48-Y54 HydrophobicContact CB-CG 3.84Å; N48-Y54 WeakPolarHBondContact OD1-CB 3.12Å
49	Y	94.7	Very high	96.3	Very high	78 Å²	78	38.8 Å²	38.8	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-73.1	-30	174.4	-166.1	-102.8	0	0	0	113	V26 A45 M46 F47 T51 T128 V130 I153 I155	V26-Y49 HydrophobicContact CB-CE1 4.49Å; V26-Y49 HydrophobicContact CG1-CE2 4.25Å; V26-Y49 HydrophobicContact CG2-CE1 4.07Å; V26-Y49 HydrophobicContact CG2-CE2 4.43Å; V26-Y49 WeakPolarHBondContact CG2-OH 3.28Å; A45-Y49 WeakPolarHBondContact O-CB 3.33Å; A45-Y49 PolarHBondContact O-N 3.07Å; M46-Y49 WeakPolarHBondContact O-CB 3.23Å; M46-Y49 PolarHBondContact O-N 2.86Å; M46-Y49 VanDerWaalsContact O-N 3.16Å; F47-Y49 PolarHBondContact O-N 2.94Å; Y49-T51 VanDerWaalsContact C-N 3.31Å; Y49-T51 PolarHBondContact O-N 3.43Å; Y49-T128 HydrophobicContact CD1-CG2 4.45Å; Y49-T128 HydrophobicContact CE1-CG2 3.62Å; Y49-T128 PolarHBondContact O-N 3.05Å; Y49-T128 PolarHBondContact OH-OG1 2.94Å; Y49-V130 HydrophobicContact CD1-CG2 4.26Å; Y49-I153 HydrophobicContact CD1-CD1 3.81Å; Y49-I153 HydrophobicContact CE1-CD1 4.34Å; Y49-I153 HydrophobicContact CG-CD1 4.43Å; Y49-I155 HydrophobicContact CE1-CG2 4.01Å
50	M	94.7	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-73.5	-16.3	179.9	-68.5	165.8	176.1	0	0	114.5	M46 F47 L84 F87 Q126 G127 T128 V130	M46-M50 HydrophobicContact CE-CE 4.27Å; M46-M50 HydrophobicContact CG-CE 3.61Å; M46-M50 HydrophobicContact CG-SD 4.49Å; M46-M50 WeakPolarHBondContact O-CG 3.47Å; M46-M50 PolarHBondContact O-N 2.85Å; M46-M50 HydrophobicContact SD-CE 3.99Å; F47-M50 HydrophobicContact CD1-CE 4.44Å; F47-M50 HydrophobicContact CD1-SD 3.5Å; F47-M50 WeakPolarHBondContact CD1-SD 3.5Å; F47-M50 HydrophobicContact CE1-CE 4.36Å; F47-M50 HydrophobicContact CE1-SD 3.86Å; F47-M50 HydrophobicContact CG-SD 4.46Å; F47-M50 PolarHBondContact O-N 3.24Å; F47-M50 VanDerWaalsContact O-N 3.1Å; M50-L84 HydrophobicContact CE-CD1 3.29Å; M50-F87 HydrophobicContact CE-CD1 4.31Å; M50-F87 HydrophobicContact SD-CD1 3.86Å; M50-F87 HydrophobicContact SD-CE1 3.91Å; M50-F87 HydrophobicContact SD-CG 4.19Å; M50-F87 HydrophobicContact SD-CZ 4.29Å; M50-Q126 PolarHBondContact O-NE2 3.04Å; M50-G127 WeakPolarHBondContact O-CA 3.4Å; M50-G127 PolarHBondContact O-N 2.91Å; M50-T128 WeakPolarHBondContact CA-O 3.5Å; M50-V130 HydrophobicContact CE-CB 3.5Å; M50-V130 HydrophobicContact CE-CG1 4.09Å; M50-V130 HydrophobicContact CE-CG2 3.78Å; M50-V130 HydrophobicContact CG-CB 4.26Å; M50-V130 HydrophobicContact CG-CG2 3.65Å
51	T	91.8	Very high	96.2	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.031	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-133.9	143.6	179	-179.4	0	0	0	0	112.4	F47 Y49 N53 Y54 I94 P125	F47-T51 PolarHBondContact O-N 3.27Å; Y49-T51 VanDerWaalsContact C-N 3.31Å; Y49-T51 PolarHBondContact O-N 3.43Å; T51-N53 PolarHBondContact O-N 2.91Å; T51-N53 PolarHBondContact OG1-N 3.36Å; T51-Y54 HydrophobicContact CG2-CD2 3.94Å; T51-Y54 HydrophobicContact CG2-CG 4.4Å; T51-I94 HydrophobicContact CG2-CD1 3.95Å; T51-P125 PolarHBondContact OG1-O 2.88Å
52	T	90.3	Very high	96.1	Very high	103 Å²	103	49.4 Å²	49.4	63%	0.632	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.7	176.1	60.2	0	0	0	0	113.6	P125	T52-P125 PolarHBondContact N-O 2.72Å; T52-P125 WeakPolarHBondContact OG1-CB 3.31Å; T52-P125 PolarHBondContact OG1-O 2.8Å
53	N	93.7	Very high	96.1	Very high	71 Å²	71	52.5 Å²	52.5	38%	0.38	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	65.9	178.7	-170.4	8.7	0	0	0	110.6	T51 D55 S56	T51-N53 PolarHBondContact O-N 2.91Å; T51-N53 PolarHBondContact OG1-N 3.36Å; N53-D55 PolarHBondContact O-N 2.97Å; N53-D55 VanDerWaalsContact O-N 3.09Å; N53-S56 PolarHBondContact O-N 3.49Å; N53-S56 PolarHBondContact O-OG 3.38Å; N53-S56 PolarHBondContact OD1-N 3.22Å
54	Y	94.3	Very high	96.1	Very high	16 Å²	16	58 Å²	58	6%	0.063	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-58	-24.7	175.7	-169.3	-127.3	0	0	0	112.6	F47 N48 T51 S56 V57 I94 P95 R96	F47-Y54 HydrophobicContact CB-CD2 4.42Å; F47-Y54 HydrophobicContact CB-CE2 3.64Å; N48-Y54 HydrophobicContact CB-CD1 3.67Å; N48-Y54 HydrophobicContact CB-CD2 4.39Å; N48-Y54 HydrophobicContact CB-CE1 4.07Å; N48-Y54 HydrophobicContact CB-CG 3.84Å; N48-Y54 WeakPolarHBondContact OD1-CB 3.12Å; T51-Y54 HydrophobicContact CG2-CD2 3.94Å; T51-Y54 HydrophobicContact CG2-CG 4.4Å; Y54-S56 PolarHBondContact O-N 3.11Å; Y54-V57 HydrophobicContact CD2-CG2 4.13Å; Y54-V57 PolarHBondContact O-N 3.36Å; Y54-I94 HydrophobicContact CD2-CD1 4.39Å; Y54-I94 HydrophobicContact CE2-CD1 4.5Å; Y54-I94 HydrophobicContact CE2-CG1 4.42Å; Y54-P95 VanDerWaalsContact CE2-O 3.25Å; Y54-P95 WeakPolarHBondContact CE2-O 3.31Å; Y54-P95 PolarHBondContact OH-O 3.14Å; Y54-R96 WeakPolarHBondContact O-CD 3.34Å; Y54-R96 PolarHBondContact O-NH1 2.87Å; Y54-R96 VanDerWaalsContact OH-C 3.29Å; Y54-R96 WeakPolarHBondContact OH-CA 3.38Å; Y54-R96 PolarHBondContact OH-O 2.85Å
55	D	94.8	Very high	96.1	Very high	123 Å²	123	57.3 Å²	57.3	66%	0.658	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.3	176.8	-77.9	-10.2	0	0	0	114.5	N53 R96	N53-D55 PolarHBondContact O-N 2.97Å; N53-D55 VanDerWaalsContact O-N 3.09Å; D55-R96 VanDerWaalsContact CA-CZ 3.48Å; D55-R96 PolarHBondContact O-NH1 3.43Å; D55-R96 IonicContact OD1-CZ 3.45Å; D55-R96 IonicContact OD1-NH2 2.68Å; D55-R96 PolarHBondContact OD1-NH2 3.16Å
56	S	95.3	Very high	96.2	Very high	25 Å²	25	60.7 Å²	60.7	18%	0.175	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-81.7	-8.4	176.4	67.4	0	0	0	0	114.6	N53 Y54 D58 K123 H124	N53-S56 PolarHBondContact O-N 3.49Å; N53-S56 PolarHBondContact O-OG 3.38Å; N53-S56 PolarHBondContact OD1-N 3.22Å; Y54-S56 PolarHBondContact O-N 3.11Å; S56-D58 PolarHBondContact O-N 3.46Å; S56-K123 WeakPolarHBondContact CB-O 3.3Å; S56-K123 WeakPolarHBondContact O-CE 3.36Å; S56-K123 PolarHBondContact OG-O 3.36Å; S56-H124 PolarHBondContact OG-CD2 2.86Å
57	V	97	Very high	96.2	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.018	31%	0.312	C	S	.	.			trans	-72.9	118.3	177.6	-175.3	0	0	0	0	110	Y54 I94 R96 E117	Y54-V57 HydrophobicContact CD2-CG2 4.13Å; Y54-V57 PolarHBondContact O-N 3.36Å; V57-I94 HydrophobicContact CG1-CG1 4.39Å; V57-I94 HydrophobicContact CG1-CG2 3.95Å; V57-I94 WeakPolarHBondContact CG1-O 3.2Å; V57-I94 HydrophobicContact CG2-CD1 3.83Å; V57-I94 HydrophobicContact CG2-CG1 4.09Å; V57-I94 HydrophobicContact CG2-CG2 4.22Å; V57-R96 HydrophobicContact CB-CB 4.07Å; V57-R96 HydrophobicContact CG1-CB 3.86Å; V57-R96 PolarHBondContact O-NH1 2.93Å; V57-E117 WeakPolarHBondContact CA-OE1 3.34Å; V57-E117 HydrophobicContact CG1-CG 4.1Å
58	D	97.4	Very high	96.3	Very high	88 Å²	88	65 Å²	65	47%	0.471	34%	0.335	S	S	.	.			trans	-79.8	155.3	175.6	-76	-36.6	0	0	0	111.8	S56 S60 G116 E117 K123	S56-D58 PolarHBondContact O-N 3.46Å; D58-S60 VanDerWaalsContact C-N 3.29Å; D58-S60 PolarHBondContact O-N 3.43Å; D58-G116 CarbonylContact O-C 3.57Å; D58-G116 WeakPolarHBondContact O-CA 3.48Å; D58-E117 PolarHBondContact N-OE1 3.02Å; D58-K123 VanDerWaalsContact CG-NZ 3.35Å; D58-K123 IonicContact OD2-NZ 2.63Å; D58-K123 PolarHBondContact OD2-NZ 2.66Å
59	T	97.6	Very high	96.4	Very high	77 Å²	77	61.8 Å²	61.8	47%	0.472	32%	0.322	S	S	.	.			trans	-95.3	37.7	177.6	48.5	0	0	0	0	112.4	R96 I97 W115	T59-R96 HydrophobicContact CG2-CB 4.04Å; T59-R96 HydrophobicContact CG2-CG 4.36Å; T59-I97 HydrophobicContact CG2-CD1 3.9Å; T59-I97 HydrophobicContact CG2-CG1 4.18Å; T59-W115 HydrophobicContact CG2-CB 3.96Å
60	S	97.1	Very high	96.5	Very high	84 Å²	84	64.6 Å²	64.6	59%	0.587	34%	0.337	S	S	*	.			trans	-78.1	-23.6	-167.1	69.9	0	0	0	0	114.6	D58 G116	D58-S60 VanDerWaalsContact C-N 3.29Å; D58-S60 PolarHBondContact O-N 3.43Å; S60-G116 PolarHBondContact N-O 3.17Å; S60-G116 VanDerWaalsContact N-O 3.15Å
61	Q	98.1	Very high	96.7	Very high	91 Å²	91	67.1 Å²	67.1	43%	0.425	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.5	-179.1	-64.8	-176.7	32	0	0	110.4	F93 W115 G116 P118	Q61-F93 HydrophobicContact CB-CE2 3.98Å; Q61-W115 CarbonylContact O-C 3.5Å; Q61-W115 VanDerWaalsContact O-CA 3.28Å; Q61-W115 WeakPolarHBondContact O-CA 3.41Å; Q61-G116 PolarHBondContact N-O 3.16Å; Q61-G116 PolarHBondContact O-N 3.07Å; Q61-P118 VanDerWaalsContact NE2-CD 3.29Å
62	R	98.1	Very high	97	Very high	133 Å²	133	68.7 Å²	68.7	50%	0.502	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.7	172.6	176.6	176.5	167.3	160.8	-4.2	109.2	E64 S113 G114	R62-E64 HydrophobicContact CG-CG 4.45Å; R62-E64 IonicContact CZ-OE1 2.71Å; R62-E64 IonicContact NE-OE1 3.44Å; R62-E64 PolarHBondContact NE-OE1 2.91Å; R62-E64 IonicContact NH2-OE1 2.66Å; R62-E64 PolarHBondContact NH2-OE1 2.85Å; R62-S113 VanDerWaalsContact CZ-OG 3.26Å; R62-S113 PolarHBondContact NE-OG 3.42Å; R62-S113 PolarHBondContact NH2-OG 3.21Å; R62-G114 CarbonylContact C-O 3.53Å; R62-G114 VanDerWaalsContact CA-O 3.24Å; R62-G114 WeakPolarHBondContact CA-O 3.38Å
63	F	98.2	Very high	97.3	Very high	66 Å²	66	68.1 Å²	68.1	29%	0.289	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.1	171.6	-159.3	-91.8	0	0	0	109.1	I65 W83 A86 P91 F93 S113 G114	F63-I65 HydrophobicContact CD1-CG2 3.98Å; F63-I65 HydrophobicContact CE1-CG2 3.88Å; F63-W83 HydrophobicContact CB-CZ3 4.47Å; F63-W83 HydrophobicContact CD1-CZ3 4.2Å; F63-A86 HydrophobicContact CD1-CB 3.98Å; F63-A86 HydrophobicContact CE1-CB 3.61Å; F63-A86 HydrophobicContact CZ-CB 4.24Å; F63-P91 HydrophobicContact CE2-CG 4.32Å; F63-F93 HydrophobicContact CB-CD1 3.48Å; F63-F93 VanDerWaalsContact CB-CD1 3.48Å; F63-F93 HydrophobicContact CB-CD2 3.98Å; F63-F93 HydrophobicContact CB-CE1 3.36Å; F63-F93 HydrophobicContact CB-CE2 3.88Å; F63-F93 HydrophobicContact CB-CG 3.78Å; F63-F93 HydrophobicContact CB-CZ 3.57Å; F63-F93 HydrophobicContact CD2-CB 4.4Å; F63-F93 HydrophobicContact CD2-CD2 4.46Å; F63-F93 HydrophobicContact CD2-CG 4.28Å; F63-F93 HydrophobicContact CG-CB 4.43Å; F63-F93 HydrophobicContact CG-CD1 4.04Å; F63-F93 HydrophobicContact CG-CD2 4.48Å; F63-F93 HydrophobicContact CG-CE1 4.38Å; F63-F93 HydrophobicContact CG-CG 4.07Å; F63-S113 CarbonylContact O-C 3.57Å; F63-S113 WeakPolarHBondContact O-CA 3.25Å; F63-G114 PolarHBondContact N-O 2.77Å; F63-G114 PolarHBondContact O-N 3.34Å
64	E	98.4	Very high	97.6	Very high	115 Å²	115	64.7 Å²	64.7	54%	0.537	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139	-177.9	-60.8	-171.2	111.8	0	0	109.6	R62 S112 S113	R62-E64 HydrophobicContact CG-CG 4.45Å; R62-E64 IonicContact CZ-OE1 2.71Å; R62-E64 IonicContact NE-OE1 3.44Å; R62-E64 PolarHBondContact NE-OE1 2.91Å; R62-E64 IonicContact NH2-OE1 2.66Å; R62-E64 PolarHBondContact NH2-OE1 2.85Å; E64-S112 WeakPolarHBondContact CA-O 3.43Å; E64-S113 PolarHBondContact OE1-OG 2.91Å; E64-S113 VanDerWaalsContact OE1-OG 3.05Å
65	I	98.5	Very high	97.8	Very high	12 Å²	12	64 Å²	64	6%	0.062	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.7	172.9	65.1	82.3	0	0	0	109.9	F63 F79 E82 W83 A86 S112	F63-I65 HydrophobicContact CD1-CG2 3.98Å; F63-I65 HydrophobicContact CE1-CG2 3.88Å; I65-F79 HydrophobicContact CD1-CD2 3.75Å; I65-F79 HydrophobicContact CD1-CE2 4.02Å; I65-E82 HydrophobicContact CB-CB 4.06Å; I65-E82 HydrophobicContact CD1-CB 4.19Å; I65-E82 HydrophobicContact CG1-CB 4.33Å; I65-E82 HydrophobicContact CG2-CB 4.39Å; I65-W83 HydrophobicContact CG1-CD2 3.86Å; I65-W83 VanDerWaalsContact CG1-CE2 3.42Å; I65-W83 HydrophobicContact CG1-CG 4.12Å; I65-W83 HydrophobicContact CG1-CH2 4.33Å; I65-W83 HydrophobicContact CG1-CZ2 3.72Å; I65-W83 HydrophobicContact CG2-CD2 4.41Å; I65-W83 HydrophobicContact CG2-CE3 4.31Å; I65-W83 HydrophobicContact CG2-CH2 4.43Å; I65-W83 HydrophobicContact CG2-CZ3 4.31Å; I65-A86 HydrophobicContact CG2-CB 4.45Å; I65-S112 VanDerWaalsContact CD1-OG 3.31Å; I65-S112 WeakPolarHBondContact CD1-OG 3.45Å; I65-S112 WeakPolarHBondContact CG1-OG 3.35Å; I65-S112 PolarHBondContact N-O 2.93Å; I65-S112 PolarHBondContact O-N 2.79Å
66	E	98.7	Very high	98	Very high	98 Å²	98	58.1 Å²	58.1	46%	0.458	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	132.2	177.9	179.3	175.7	143.4	0	0	107.8	H109 I110 K111	E66-H109 VanDerWaalsContact CD-CE1 3.45Å; E66-H109 VanDerWaalsContact CG-CE1 3.41Å; E66-H109 WeakPolarHBondContact CG-CE1 3.16Å; E66-H109 IonicContact OE1-CE1 3.95Å; E66-H109 PolarHBondContact OE1-CE1 3.07Å; E66-H109 VanDerWaalsContact OE1-CE1 3.22Å; E66-I110 WeakPolarHBondContact CA-O 3.1Å; E66-K111 HydrophobicContact CB-CG 4.25Å; E66-K111 HydrophobicContact CG-CG 3.98Å; E66-K111 WeakPolarHBondContact OE2-CE 3.4Å
67	A	98.8	Very high	98.1	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.5	179	0	0	0	0	0	111	H78 F79 E82 I110	A67-H78 HydrophobicContact CB-CB 3.99Å; A67-F79 HydrophobicContact CB-CB 4.38Å; A67-E82 HydrophobicContact CB-CG 4.12Å; A67-I110 HydrophobicContact CB-CG2 3.8Å; A67-I110 PolarHBondContact N-O 2.84Å; A67-I110 PolarHBondContact O-N 3.24Å
68	N	98.7	Very high	98.2	Very high	89 Å²	89	61.5 Å²	61.5	48%	0.476	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138	178.8	-64.1	-81.5	0	0	0	109.4	H78 F108 H109	N68-H78 PolarHBondContact O-ND1 3.01Å; N68-F108 CarbonylContact C-O 3.57Å; N68-F108 WeakPolarHBondContact CA-O 3.41Å; N68-H109 PolarHBondContact OD1-ND1 2.97Å
69	G	98.4	Very high	98.3	Very high	18 Å²	18	57.3 Å²	57.3	19%	0.186	29%	0.287	C	S	.	.			trans	-117.6	174.2	173.3	0	0	0	0	0	111.6	F108	G69-F108 PolarHBondContact N-O 3.38Å; G69-F108 WeakPolarHBondContact O-CB 3.31Å
70	H	97.8	Very high	98.3	Very high	136 Å²	136	53.7 Å²	53.7	63%	0.63	26%	0.264	S	S	*	.	S	Bend	trans	-106.4	-5.7	164.6	58.3	67.9	0	0	0	112.4	S74	H70-S74 PolarHBondContact N-OG 3.18Å; H70-S74 PolarHBondContact ND1-OG 2.87Å
71	D	98.1	Very high	98.4	Very high	53 Å²	53	52.6 Å²	52.6	28%	0.283	25%	0.252	S	S	.	.	S	Bend	trans	-159.9	179.6	171.2	55.4	40	0	0	0	109	M73 S74 L75	D71-M73 VanDerWaalsContact C-N 3.33Å; D71-M73 PolarHBondContact O-N 2.91Å; D71-M73 PolarHBondContact OD1-N 2.91Å; D71-M73 VanDerWaalsContact OD1-N 3.11Å; D71-S74 PolarHBondContact N-OG 3.25Å; D71-S74 PolarHBondContact O-OG 3.34Å; D71-S74 WeakPolarHBondContact OD1-CB 3.35Å; D71-S74 PolarHBondContact OD1-N 2.73Å; D71-S74 PolarHBondContact OD1-OG 3.46Å; D71-L75 WeakPolarHBondContact O-CB 3.29Å; D71-L75 PolarHBondContact O-N 3.15Å
72	M	97.8	Very high	98.4	Very high	38 Å²	38	51.9 Å²	51.9	19%	0.187	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-32.9	-179.3	-72	-57.2	-57.9	0	0	114	F39 L75 L76 F103 K105 F108 I140	F39-M72 HydrophobicContact CE2-CE 4.09Å; F39-M72 HydrophobicContact CZ-CE 3.84Å; M72-L75 HydrophobicContact SD-CD2 4.35Å; M72-L76 PolarHBondContact O-N 3.31Å; M72-F103 HydrophobicContact CE-CE2 3.91Å; M72-F103 HydrophobicContact CE-CZ 3.78Å; M72-K105 HydrophobicContact CE-CG 4.47Å; M72-K105 HydrophobicContact SD-CB 4.22Å; M72-K105 HydrophobicContact SD-CG 4.19Å; M72-F108 HydrophobicContact CG-CD1 4.28Å; M72-F108 HydrophobicContact CG-CE1 3.94Å; M72-F108 HydrophobicContact SD-CD1 3.92Å; M72-F108 HydrophobicContact SD-CE1 4.03Å; M72-I140 VanDerWaalsContact C-CD1 3.44Å; M72-I140 HydrophobicContact CB-CD1 3.75Å; M72-I140 WeakPolarHBondContact O-CD1 3.45Å
73	M	97.7	Very high	98.4	Very high	91 Å²	91	45.6 Å²	45.6	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-72.6	-45.4	-179.1	-74	-174.9	-75.2	0	0	111.1	D71 L75 L76 F77 M138 I140	D71-M73 VanDerWaalsContact C-N 3.33Å; D71-M73 PolarHBondContact O-N 2.91Å; D71-M73 PolarHBondContact OD1-N 2.91Å; D71-M73 VanDerWaalsContact OD1-N 3.11Å; M73-L75 VanDerWaalsContact C-N 3.3Å; M73-L75 PolarHBondContact O-N 3.29Å; M73-L76 PolarHBondContact O-N 2.83Å; M73-F77 WeakPolarHBondContact O-CB 3.28Å; M73-F77 PolarHBondContact O-N 2.78Å; M73-M138 HydrophobicContact CB-SD 4.14Å; M73-M138 VanDerWaalsContact O-SD 3.38Å; M73-I140 HydrophobicContact CG-CD1 4.17Å; M73-I140 HydrophobicContact CG-CG1 4.46Å
74	S	98.2	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-34.5	173.2	55.3	0	0	0	0	112.4	H70 D71 F77 H78	H70-S74 PolarHBondContact N-OG 3.18Å; H70-S74 PolarHBondContact ND1-OG 2.87Å; D71-S74 PolarHBondContact N-OG 3.25Å; D71-S74 PolarHBondContact O-OG 3.34Å; D71-S74 WeakPolarHBondContact OD1-CB 3.35Å; D71-S74 PolarHBondContact OD1-N 2.73Å; D71-S74 PolarHBondContact OD1-OG 3.46Å; S74-F77 PolarHBondContact O-N 2.59Å; S74-H78 PolarHBondContact O-N 2.75Å; S74-H78 PolarHBondContact O-ND1 3.49Å
75	L	98.7	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-44.5	172.2	-176.1	59.9	0	0	0	111.9	D71 M72 M73 F79 F103 F108 I110	D71-L75 WeakPolarHBondContact O-CB 3.29Å; D71-L75 PolarHBondContact O-N 3.15Å; M72-L75 HydrophobicContact SD-CD2 4.35Å; M73-L75 VanDerWaalsContact C-N 3.3Å; M73-L75 PolarHBondContact O-N 3.29Å; L75-F79 WeakPolarHBondContact O-CB 3.42Å; L75-F79 PolarHBondContact O-N 3.01Å; L75-F103 HydrophobicContact CD2-CD2 4.4Å; L75-F103 HydrophobicContact CD2-CE2 3.72Å; L75-F108 WeakPolarHBondContact CD1-O 3.33Å; L75-F108 HydrophobicContact CD2-CB 4.39Å; L75-I110 HydrophobicContact CD1-CB 4Å; L75-I110 HydrophobicContact CD1-CG2 3.57Å; L75-I110 HydrophobicContact CG-CB 4.48Å; L75-I110 HydrophobicContact CG-CG2 4.27Å
76	L	98.8	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-43.9	175.5	176.5	56.1	0	0	0	112.1	F39 I42 M72 M73 L80 M138 I140 L149 V151	F39-L76 HydrophobicContact CD1-CD1 3.97Å; F39-L76 HydrophobicContact CE1-CB 3.82Å; F39-L76 HydrophobicContact CE1-CD1 3.77Å; F39-L76 HydrophobicContact CE1-CG 4.38Å; F39-L76 HydrophobicContact CG-CD1 4.44Å; F39-L76 HydrophobicContact CZ-CB 3.76Å; F39-L76 HydrophobicContact CZ-CD1 4.05Å; F39-L76 HydrophobicContact CZ-CG 4.37Å; I42-L76 HydrophobicContact CG2-CD1 3.94Å; M72-L76 PolarHBondContact O-N 3.31Å; M73-L76 PolarHBondContact O-N 2.83Å; L76-L80 HydrophobicContact CD1-CD1 4Å; L76-L80 HydrophobicContact CD1-CG 4.23Å; L76-L80 HydrophobicContact CG-CD1 4.48Å; L76-L80 PolarHBondContact O-N 2.86Å; L76-L80 VanDerWaalsContact O-N 3.11Å; L76-M138 HydrophobicContact CB-SD 4.21Å; L76-M138 HydrophobicContact CD2-CG 4.11Å; L76-M138 HydrophobicContact CD2-SD 3.97Å; L76-M138 HydrophobicContact CG-SD 4.15Å; L76-I140 HydrophobicContact CB-CD1 4.07Å; L76-I140 HydrophobicContact CD2-CD1 3.97Å; L76-I140 HydrophobicContact CD2-CG1 3.89Å; L76-L149 HydrophobicContact CD1-CD1 3.98Å; L76-L149 HydrophobicContact CD2-CD1 4.28Å; L76-L149 HydrophobicContact CD2-CD2 3.92Å; L76-L149 HydrophobicContact CD2-CG 4.49Å; L76-V151 HydrophobicContact CD1-CG2 4.42Å; L76-V151 HydrophobicContact CD2-CG2 3.66Å; L76-V151 HydrophobicContact CG-CG2 4.08Å
77	F	98.6	Very high	98.3	Very high	34 Å²	34	39.5 Å²	39.5	15%	0.149	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-58.1	175.7	179.2	-84.4	0	0	0	110.9	M73 S74 F79 L80 D81 I133 Y135 M138	M73-F77 WeakPolarHBondContact O-CB 3.28Å; M73-F77 PolarHBondContact O-N 2.78Å; S74-F77 PolarHBondContact O-N 2.59Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 2.91Å; F77-L80 PolarHBondContact O-N 2.79Å; F77-D81 HydrophobicContact CE1-CB 4.31Å; F77-D81 WeakPolarHBondContact O-CB 3.47Å; F77-D81 PolarHBondContact O-N 3.49Å; F77-I133 HydrophobicContact CD2-CB 4.15Å; F77-I133 HydrophobicContact CD2-CG2 3.96Å; F77-I133 HydrophobicContact CE2-CB 4.07Å; F77-I133 HydrophobicContact CE2-CG2 4.35Å; F77-I133 WeakPolarHBondContact CE2-O 3.4Å; F77-Y135 HydrophobicContact CB-CE1 3.82Å; F77-Y135 HydrophobicContact CB-CE2 4.41Å; F77-Y135 HydrophobicContact CD1-CE2 4.21Å; F77-Y135 HydrophobicContact CD2-CD1 4.46Å; F77-Y135 AromaticContact CD2-CD2 3.89Å; F77-Y135 HydrophobicContact CD2-CD2 3.89Å; F77-Y135 HydrophobicContact CD2-CE1 4.22Å; F77-Y135 AromaticContact CD2-CE2 3.62Å; F77-Y135 HydrophobicContact CD2-CE2 3.62Å; F77-Y135 HydrophobicContact CD2-CG 4.31Å; F77-Y135 AromaticContact CD2-CZ 3.81Å; F77-Y135 HydrophobicContact CE1-CE2 4.47Å; F77-Y135 HydrophobicContact CE2-CD2 4.03Å; F77-Y135 AromaticContact CE2-CE2 3.86Å; F77-Y135 HydrophobicContact CE2-CE2 3.86Å; F77-Y135 HydrophobicContact CG-CE1 4.11Å; F77-Y135 AromaticContact CG-CE2 3.81Å; F77-Y135 HydrophobicContact CG-CE2 3.81Å; F77-Y135 AromaticContact CG-CZ 3.59Å; F77-Y135 HydrophobicContact CZ-CE2 4.31Å; F77-M138 HydrophobicContact CB-CE 4.01Å; F77-M138 HydrophobicContact CD2-CE 4.27Å
78	H	98.7	Very high	98.1	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-33.3	-177	-63.9	145	0	0	0	112.2	A67 N68 S74 L80 D81 E82	A67-H78 HydrophobicContact CB-CB 3.99Å; N68-H78 PolarHBondContact O-ND1 3.01Å; S74-H78 PolarHBondContact O-N 2.75Å; S74-H78 PolarHBondContact O-ND1 3.49Å; H78-L80 PolarHBondContact O-N 3.46Å; H78-D81 PolarHBondContact O-N 3.32Å; H78-E82 WeakPolarHBondContact O-CB 3.34Å; H78-E82 VanDerWaalsContact O-CG 3.25Å; H78-E82 WeakPolarHBondContact O-CG 3.27Å; H78-E82 PolarHBondContact O-N 2.73Å
79	F	98.8	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-45.9	174.1	169.8	-104.3	0	0	0	112.5	F39 A43 I65 A67 L75 F77 W83 V98 I100 I110 S112	F39-F79 HydrophobicContact CB-CE1 4.32Å; F39-F79 AromaticContact CD1-CD1 3.9Å; F39-F79 HydrophobicContact CD1-CD1 3.9Å; F39-F79 HydrophobicContact CD1-CE1 4.28Å; F39-F79 HydrophobicContact CD1-CG 4.27Å; F39-F79 VanDerWaalsContact O-CE1 3.31Å; F39-F79 WeakPolarHBondContact O-CE1 3.34Å; A43-F79 HydrophobicContact CB-CE1 3.83Å; A43-F79 HydrophobicContact CB-CZ 4.08Å; I65-F79 HydrophobicContact CD1-CD2 3.75Å; I65-F79 HydrophobicContact CD1-CE2 4.02Å; A67-F79 HydrophobicContact CB-CB 4.38Å; L75-F79 WeakPolarHBondContact O-CB 3.42Å; L75-F79 PolarHBondContact O-N 3.01Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 2.91Å; F79-W83 AromaticContact CE2-CD1 3.73Å; F79-W83 AromaticContact CE2-NE1 3.43Å; F79-W83 AromaticContact CZ-CD1 3.7Å; F79-W83 AromaticContact CZ-NE1 3.56Å; F79-W83 VanDerWaalsContact O-CD1 3.31Å; F79-W83 PolarHBondContact O-N 3.09Å; F79-V98 HydrophobicContact CZ-CG1 4.15Å; F79-I100 HydrophobicContact CE2-CG1 4.49Å; F79-I110 HydrophobicContact CB-CG2 4.12Å; F79-I110 HydrophobicContact CD2-CD1 3.8Å; F79-I110 HydrophobicContact CD2-CG1 4.31Å; F79-I110 HydrophobicContact CD2-CG2 3.87Å; F79-I110 HydrophobicContact CE2-CD1 4.05Å; F79-I110 HydrophobicContact CG-CD1 4.25Å; F79-I110 HydrophobicContact CG-CG2 4.39Å; F79-S112 WeakPolarHBondContact CE2-OG 3.31Å
80	L	98.8	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.5	-36.7	177.1	-74.6	177.1	0	0	0	112.1	I42 A43 M46 L76 F77 H78 W83 L84 I133 V151	I42-L80 HydrophobicContact CG1-CD1 4.28Å; I42-L80 HydrophobicContact CG2-CD1 4.25Å; I42-L80 HydrophobicContact CG2-CD2 4.06Å; I42-L80 HydrophobicContact CG2-CG 4.42Å; A43-L80 HydrophobicContact CB-CD2 4.01Å; M46-L80 HydrophobicContact CE-CD2 4.38Å; M46-L80 HydrophobicContact SD-CD2 4.46Å; L76-L80 HydrophobicContact CD1-CD1 4Å; L76-L80 HydrophobicContact CD1-CG 4.23Å; L76-L80 HydrophobicContact CG-CD1 4.48Å; L76-L80 PolarHBondContact O-N 2.86Å; L76-L80 VanDerWaalsContact O-N 3.11Å; F77-L80 PolarHBondContact O-N 2.79Å; H78-L80 PolarHBondContact O-N 3.46Å; L80-W83 PolarHBondContact O-N 3.44Å; L80-L84 WeakPolarHBondContact O-CB 3.15Å; L80-L84 PolarHBondContact O-N 3.29Å; L80-I133 HydrophobicContact CB-CD1 3.85Å; L80-I133 HydrophobicContact CB-CG1 3.74Å; L80-I133 HydrophobicContact CB-CG2 4.28Å; L80-I133 HydrophobicContact CD1-CD1 4.5Å; L80-I133 HydrophobicContact CD1-CG2 4.26Å; L80-V151 HydrophobicContact CD1-CB 4.23Å; L80-V151 HydrophobicContact CD1-CG1 3.82Å; L80-V151 HydrophobicContact CD1-CG2 3.91Å
81	D	98.3	Very high	97.2	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-64.9	-41.1	178.6	-163.1	53.9	0	0	0	111.9	F77 H78 W83 L84 F85	F77-D81 HydrophobicContact CE1-CB 4.31Å; F77-D81 WeakPolarHBondContact O-CB 3.47Å; F77-D81 PolarHBondContact O-N 3.49Å; H78-D81 PolarHBondContact O-N 3.32Å; D81-W83 PolarHBondContact O-N 2.83Å; D81-L84 PolarHBondContact O-N 2.96Å; D81-F85 WeakPolarHBondContact O-CB 3.44Å; D81-F85 PolarHBondContact O-N 2.87Å
82	E	98.5	Very high	97.1	Very high	77 Å²	77	45.7 Å²	45.7	36%	0.36	23%	0.23	S	C	.	.	H	α-helix	trans	-64.2	-39.5	174.2	-72.2	-66.8	159.5	0	0	112.2	I65 A67 H78 F85 A86	I65-E82 HydrophobicContact CB-CB 4.06Å; I65-E82 HydrophobicContact CD1-CB 4.19Å; I65-E82 HydrophobicContact CG1-CB 4.33Å; I65-E82 HydrophobicContact CG2-CB 4.39Å; A67-E82 HydrophobicContact CB-CG 4.12Å; H78-E82 WeakPolarHBondContact O-CB 3.34Å; H78-E82 VanDerWaalsContact O-CG 3.25Å; H78-E82 WeakPolarHBondContact O-CG 3.27Å; H78-E82 PolarHBondContact O-N 2.73Å; E82-F85 PolarHBondContact O-N 2.84Å; E82-A86 PolarHBondContact O-N 2.94Å
83	W	98.7	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.9	-44	173.2	-87.5	120.5	0	0	0	111.9	M46 F47 F63 I65 F79 L80 D81 F85 A86 F87 F93 P95 V98 S112 G114	M46-W83 HydrophobicContact CE-CB 4Å; F47-W83 HydrophobicContact CE2-CB 3.95Å; F47-W83 HydrophobicContact CE2-CD2 4.36Å; F47-W83 HydrophobicContact CE2-CE3 4.29Å; F47-W83 HydrophobicContact CE2-CG 4.24Å; F47-W83 HydrophobicContact CZ-CB 3.9Å; F47-W83 HydrophobicContact CZ-CE3 4.34Å; F47-W83 WeakPolarHBondContact CZ-O 3.38Å; F63-W83 HydrophobicContact CB-CZ3 4.47Å; F63-W83 HydrophobicContact CD1-CZ3 4.2Å; I65-W83 HydrophobicContact CG1-CD2 3.86Å; I65-W83 VanDerWaalsContact CG1-CE2 3.42Å; I65-W83 HydrophobicContact CG1-CG 4.12Å; I65-W83 HydrophobicContact CG1-CH2 4.33Å; I65-W83 HydrophobicContact CG1-CZ2 3.72Å; I65-W83 HydrophobicContact CG2-CD2 4.41Å; I65-W83 HydrophobicContact CG2-CE3 4.31Å; I65-W83 HydrophobicContact CG2-CH2 4.43Å; I65-W83 HydrophobicContact CG2-CZ3 4.31Å; F79-W83 AromaticContact CE2-CD1 3.73Å; F79-W83 AromaticContact CE2-NE1 3.43Å; F79-W83 AromaticContact CZ-CD1 3.7Å; F79-W83 AromaticContact CZ-NE1 3.56Å; F79-W83 VanDerWaalsContact O-CD1 3.31Å; F79-W83 PolarHBondContact O-N 3.09Å; L80-W83 PolarHBondContact O-N 3.44Å; D81-W83 PolarHBondContact O-N 2.83Å; W83-F85 VanDerWaalsContact C-N 3.3Å; W83-F85 PolarHBondContact O-N 3.18Å; W83-A86 HydrophobicContact CE3-CB 4.35Å; W83-A86 WeakPolarHBondContact O-CB 3.28Å; W83-A86 PolarHBondContact O-N 3.26Å; W83-F87 PolarHBondContact O-N 3.5Å; W83-F93 HydrophobicContact CZ3-CD1 4.07Å; W83-F93 HydrophobicContact CZ3-CE1 4.14Å; W83-P95 HydrophobicContact CE3-CG 3.99Å; W83-P95 HydrophobicContact CZ3-CB 4.36Å; W83-P95 HydrophobicContact CZ3-CG 4.09Å; W83-V98 HydrophobicContact CZ2-CG1 3.96Å; W83-V98 HydrophobicContact CZ2-CG2 4.23Å; W83-S112 VanDerWaalsContact CZ2-OG 3.27Å; W83-S112 WeakPolarHBondContact CZ2-OG 3.39Å; W83-S112 PolarHBondContact NE1-OG 2.85Å; W83-G114 VanDerWaalsContact CH2-CA 3.47Å; W83-G114 VanDerWaalsContact CH2-N 3.27Å
84	L	98.1	Very high	97.1	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-44	175	177.9	61	0	0	0	110.5	M46 M50 L80 D81 A86 F87 S88 V130 I133	M46-L84 HydrophobicContact CE-CB 4.2Å; M46-L84 HydrophobicContact SD-CB 4.33Å; M50-L84 HydrophobicContact CE-CD1 3.29Å; L80-L84 WeakPolarHBondContact O-CB 3.15Å; L80-L84 PolarHBondContact O-N 3.29Å; D81-L84 PolarHBondContact O-N 2.96Å; L84-A86 PolarHBondContact O-N 3.43Å; L84-F87 CarbonylContact O-C 3.54Å; L84-F87 WeakPolarHBondContact O-CA 3.24Å; L84-F87 WeakPolarHBondContact O-CB 3.37Å; L84-F87 PolarHBondContact O-N 3.04Å; L84-S88 PolarHBondContact O-N 3.35Å; L84-S88 PolarHBondContact O-OG 3Å; L84-S88 VanDerWaalsContact O-OG 3.07Å; L84-V130 HydrophobicContact CD1-CB 4.32Å; L84-V130 HydrophobicContact CD1-CG1 4.22Å; L84-V130 HydrophobicContact CD2-CG1 4.4Å; L84-I133 HydrophobicContact CD2-CD1 4.36Å; L84-I133 HydrophobicContact CD2-CG1 4.4Å
85	F	97.7	Very high	97.1	Very high	129 Å²	129	39.6 Å²	39.6	57%	0.566	20%	0.2	S	C	*	.	H	α-helix	trans	-59.9	-43	175.8	-179.5	-99.8	0	0	0	112.4	D81 E82 W83 F87 S88 A89	D81-F85 WeakPolarHBondContact O-CB 3.44Å; D81-F85 PolarHBondContact O-N 2.87Å; E82-F85 PolarHBondContact O-N 2.84Å; W83-F85 VanDerWaalsContact C-N 3.3Å; W83-F85 PolarHBondContact O-N 3.18Å; F85-F87 PolarHBondContact O-N 3.06Å; F85-S88 PolarHBondContact O-N 2.71Å; F85-S88 VanDerWaalsContact O-N 3.09Å; F85-A89 HydrophobicContact CE1-CB 4.22Å; F85-A89 HydrophobicContact CE2-CB 4.06Å; F85-A89 HydrophobicContact CZ-CB 3.88Å; F85-A89 PolarHBondContact O-N 3.38Å
86	A	97.6	Very high	97.1	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-28.4	175.8	0	0	0	0	0	112.9	F63 I65 E82 W83 L84 F93	F63-A86 HydrophobicContact CD1-CB 3.98Å; F63-A86 HydrophobicContact CE1-CB 3.61Å; F63-A86 HydrophobicContact CZ-CB 4.24Å; I65-A86 HydrophobicContact CG2-CB 4.45Å; E82-A86 PolarHBondContact O-N 2.94Å; W83-A86 HydrophobicContact CE3-CB 4.35Å; W83-A86 WeakPolarHBondContact O-CB 3.28Å; W83-A86 PolarHBondContact O-N 3.26Å; L84-A86 PolarHBondContact O-N 3.43Å; A86-F93 PolarHBondContact O-N 3.24Å
87	F	97.1	Very high	97	Very high	25 Å²	25	45.8 Å²	45.8	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-85.6	-33.3	174.2	178.6	-97	0	0	0	113.5	F47 M50 W83 L84 F85 F92 F93 I94 F119	F47-F87 HydrophobicContact CD1-CD2 4.38Å; F47-F87 HydrophobicContact CE1-CB 3.67Å; F47-F87 HydrophobicContact CE1-CD2 4.17Å; F47-F87 HydrophobicContact CE1-CG 4.01Å; F47-F87 HydrophobicContact CZ-CB 4.41Å; M50-F87 HydrophobicContact CE-CD1 4.31Å; M50-F87 HydrophobicContact SD-CD1 3.86Å; M50-F87 HydrophobicContact SD-CE1 3.91Å; M50-F87 HydrophobicContact SD-CG 4.19Å; M50-F87 HydrophobicContact SD-CZ 4.29Å; W83-F87 PolarHBondContact O-N 3.5Å; L84-F87 CarbonylContact O-C 3.54Å; L84-F87 WeakPolarHBondContact O-CA 3.24Å; L84-F87 WeakPolarHBondContact O-CB 3.37Å; L84-F87 PolarHBondContact O-N 3.04Å; F85-F87 PolarHBondContact O-N 3.06Å; F87-F92 VanDerWaalsContact O-CA 3.31Å; F87-F92 WeakPolarHBondContact O-CA 3.48Å; F87-F92 WeakPolarHBondContact O-CD1 3.26Å; F87-F93 WeakPolarHBondContact CA-O 3.23Å; F87-F93 WeakPolarHBondContact CB-O 3.18Å; F87-I94 HydrophobicContact CD2-CB 4.05Å; F87-I94 HydrophobicContact CE2-CB 4.15Å; F87-I94 HydrophobicContact CE2-CD1 4.42Å; F87-F119 HydrophobicContact CD2-CB 4.49Å; F87-F119 HydrophobicContact CE2-CB 3.84Å; F87-F119 HydrophobicContact CE2-CD1 4.44Å; F87-F119 AromaticContact CE2-CD2 3.55Å; F87-F119 HydrophobicContact CE2-CD2 3.55Å; F87-F119 HydrophobicContact CE2-CE2 4.15Å; F87-F119 AromaticContact CE2-CG 3.7Å; F87-F119 HydrophobicContact CE2-CG 3.7Å; F87-F119 HydrophobicContact CZ-CD1 4.44Å; F87-F119 HydrophobicContact CZ-CD2 4.04Å; F87-F119 HydrophobicContact CZ-CE2 4.25Å; F87-F119 HydrophobicContact CZ-CG 4.11Å
88	S	94.6	Very high	97.1	Very high	71 Å²	71	44.2 Å²	44.2	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-82.7	-20	-177.7	-59.3	0	0	0	0	114.3	L84 F85 F92	L84-S88 PolarHBondContact O-N 3.35Å; L84-S88 PolarHBondContact O-OG 3Å; L84-S88 VanDerWaalsContact O-OG 3.07Å; F85-S88 PolarHBondContact O-N 2.71Å; F85-S88 VanDerWaalsContact O-N 3.09Å; S88-F92 WeakPolarHBondContact O-CE1 3.43Å
89	A	93.2	Very high	97	Very high	28 Å²	28	45.2 Å²	45.2	23%	0.231	23%	0.225	C	C	.	.	S	Bend	trans	-115.7	156.6	179.1	0	0	0	0	0	111.4	F85 F92	F85-A89 HydrophobicContact CE1-CB 4.22Å; F85-A89 HydrophobicContact CE2-CB 4.06Å; F85-A89 HydrophobicContact CZ-CB 3.88Å; F85-A89 PolarHBondContact O-N 3.38Å; A89-F92 WeakPolarHBondContact O-CA 3.41Å; A89-F92 PolarHBondContact O-N 3.04Å
90	E	90.3	Very high	97	Very high	178 Å²	178	46.2 Å²	46.2	83%	0.832	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	124.6	176.5	-167.6	170.3	-164.7	0	0	110.2	F92	E90-F92 HydrophobicContact CB-CE2 4.3Å
91	P	93.4	Very high	97	Very high	46 Å²	46	50.1 Å²	50.1	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.7	16.3	22.7	39.3	-37.4	0	0	0	116.2	F63 F93 P118	F63-P91 HydrophobicContact CE2-CG 4.32Å; P91-F93 HydrophobicContact CG-CB 4.22Å; P91-P118 HydrophobicContact CB-CG 4.45Å; P91-P118 WeakPolarHBondContact O-CB 3.31Å
92	F	96	Very high	97	Very high	107 Å²	107	50.9 Å²	50.9	47%	0.469	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	50.2	-173.8	-50.9	-82.3	0	0	0	111.4	F87 S88 A89 E90 I94 F119	F87-F92 VanDerWaalsContact O-CA 3.31Å; F87-F92 WeakPolarHBondContact O-CA 3.48Å; F87-F92 WeakPolarHBondContact O-CD1 3.26Å; S88-F92 WeakPolarHBondContact O-CE1 3.43Å; A89-F92 WeakPolarHBondContact O-CA 3.41Å; A89-F92 PolarHBondContact O-N 3.04Å; E90-F92 HydrophobicContact CB-CE2 4.3Å; F92-I94 PolarHBondContact O-N 3.44Å; F92-F119 HydrophobicContact CB-CB 4.33Å; F92-F119 VanDerWaalsContact O-CB 3.29Å; F92-F119 WeakPolarHBondContact O-CB 3.48Å; F92-F119 PolarHBondContact O-N 2.77Å
93	F	98.2	Very high	97	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.5	-170.2	-171.2	-100.5	0	0	0	111.7	Q61 F63 W83 A86 F87 P91 P95	Q61-F93 HydrophobicContact CB-CE2 3.98Å; F63-F93 HydrophobicContact CB-CD1 3.48Å; F63-F93 VanDerWaalsContact CB-CD1 3.48Å; F63-F93 HydrophobicContact CB-CD2 3.98Å; F63-F93 HydrophobicContact CB-CE1 3.36Å; F63-F93 HydrophobicContact CB-CE2 3.88Å; F63-F93 HydrophobicContact CB-CG 3.78Å; F63-F93 HydrophobicContact CB-CZ 3.57Å; F63-F93 HydrophobicContact CD2-CB 4.4Å; F63-F93 HydrophobicContact CD2-CD2 4.46Å; F63-F93 HydrophobicContact CD2-CG 4.28Å; F63-F93 HydrophobicContact CG-CB 4.43Å; F63-F93 HydrophobicContact CG-CD1 4.04Å; F63-F93 HydrophobicContact CG-CD2 4.48Å; F63-F93 HydrophobicContact CG-CE1 4.38Å; F63-F93 HydrophobicContact CG-CG 4.07Å; W83-F93 HydrophobicContact CZ3-CD1 4.07Å; W83-F93 HydrophobicContact CZ3-CE1 4.14Å; A86-F93 PolarHBondContact O-N 3.24Å; F87-F93 WeakPolarHBondContact CA-O 3.23Å; F87-F93 WeakPolarHBondContact CB-O 3.18Å; P91-F93 HydrophobicContact CG-CB 4.22Å; F93-P95 HydrophobicContact CD1-CB 4.42Å; F93-P95 HydrophobicContact CE1-CB 3.83Å; F93-P95 HydrophobicContact CE1-CG 4.47Å
94	I	97.7	Very high	97	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.9	169.4	-178.6	164.2	0	0	0	109.3	F47 T51 Y54 V57 F87 F92 G116 E117 F119	F47-I94 HydrophobicContact CB-CG1 4.29Å; F47-I94 HydrophobicContact CD1-CG1 4.18Å; F47-I94 HydrophobicContact CG-CG1 4.43Å; T51-I94 HydrophobicContact CG2-CD1 3.95Å; Y54-I94 HydrophobicContact CD2-CD1 4.39Å; Y54-I94 HydrophobicContact CE2-CD1 4.5Å; Y54-I94 HydrophobicContact CE2-CG1 4.42Å; V57-I94 HydrophobicContact CG1-CG1 4.39Å; V57-I94 HydrophobicContact CG1-CG2 3.95Å; V57-I94 WeakPolarHBondContact CG1-O 3.2Å; V57-I94 HydrophobicContact CG2-CD1 3.83Å; V57-I94 HydrophobicContact CG2-CG1 4.09Å; V57-I94 HydrophobicContact CG2-CG2 4.22Å; F87-I94 HydrophobicContact CD2-CB 4.05Å; F87-I94 HydrophobicContact CE2-CB 4.15Å; F87-I94 HydrophobicContact CE2-CD1 4.42Å; F92-I94 PolarHBondContact O-N 3.44Å; I94-G116 VanDerWaalsContact O-CA 3.24Å; I94-G116 WeakPolarHBondContact O-CA 3.35Å; I94-E117 VanDerWaalsContact CG2-O 3.25Å; I94-E117 WeakPolarHBondContact CG2-O 3.31Å; I94-E117 PolarHBondContact N-O 2.93Å; I94-E117 PolarHBondContact O-N 3.26Å; I94-F119 HydrophobicContact CB-CD2 4.32Å; I94-F119 HydrophobicContact CD1-CD2 3.95Å; I94-F119 HydrophobicContact CD1-CE2 4.24Å; I94-F119 HydrophobicContact CG2-CB 4.11Å; I94-F119 HydrophobicContact CG2-CD2 4.03Å
95	P	98.2	Very high	97	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.6	172.2	29.3	-31.1	0	0	0	109.7	F47 Y54 W83 F93 V98	F47-P95 HydrophobicContact CD2-CG 3.31Å; F47-P95 HydrophobicContact CE1-CG 4.48Å; F47-P95 VanDerWaalsContact CE2-CD 3.44Å; F47-P95 HydrophobicContact CE2-CG 3.18Å; F47-P95 HydrophobicContact CG-CG 4.02Å; F47-P95 HydrophobicContact CZ-CG 3.81Å; Y54-P95 VanDerWaalsContact CE2-O 3.25Å; Y54-P95 WeakPolarHBondContact CE2-O 3.31Å; Y54-P95 PolarHBondContact OH-O 3.14Å; W83-P95 HydrophobicContact CE3-CG 3.99Å; W83-P95 HydrophobicContact CZ3-CB 4.36Å; W83-P95 HydrophobicContact CZ3-CG 4.09Å; F93-P95 HydrophobicContact CD1-CB 4.42Å; F93-P95 HydrophobicContact CE1-CB 3.83Å; F93-P95 HydrophobicContact CE1-CG 4.47Å; P95-V98 HydrophobicContact CB-CG2 3.83Å; P95-V98 HydrophobicContact CG-CG2 3.83Å
96	R	97.5	Very high	96.9	Very high	63 Å²	63	56.2 Å²	56.2	24%	0.238	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-34.1	163.6	-179.3	53.2	176.2	-74.7	-1.4	112	Y54 D55 V57 T59 W115	Y54-R96 WeakPolarHBondContact O-CD 3.34Å; Y54-R96 PolarHBondContact O-NH1 2.87Å; Y54-R96 VanDerWaalsContact OH-C 3.29Å; Y54-R96 WeakPolarHBondContact OH-CA 3.38Å; Y54-R96 PolarHBondContact OH-O 2.85Å; D55-R96 VanDerWaalsContact CA-CZ 3.48Å; D55-R96 PolarHBondContact O-NH1 3.43Å; D55-R96 IonicContact OD1-CZ 3.45Å; D55-R96 IonicContact OD1-NH2 2.68Å; D55-R96 PolarHBondContact OD1-NH2 3.16Å; V57-R96 HydrophobicContact CB-CB 4.07Å; V57-R96 HydrophobicContact CG1-CB 3.86Å; V57-R96 PolarHBondContact O-NH1 2.93Å; T59-R96 HydrophobicContact CG2-CB 4.04Å; T59-R96 HydrophobicContact CG2-CG 4.36Å; R96-W115 PolarHBondContact N-O 3.4Å
97	I	98.2	Very high	97	Very high	67 Å²	67	61.4 Å²	61.4	34%	0.344	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.6	-179.8	-57.4	175.2	0	0	0	107.3	T59 K99 G114 W115	T59-I97 HydrophobicContact CG2-CD1 3.9Å; T59-I97 HydrophobicContact CG2-CG1 4.18Å; I97-K99 HydrophobicContact CG2-CG 4.23Å; I97-G114 CarbonylContact O-C 3.03Å; I97-G114 WeakPolarHBondContact O-CA 3.47Å; I97-W115 HydrophobicContact CB-CE3 4.48Å; I97-W115 HydrophobicContact CG2-CE3 4.32Å; I97-W115 PolarHBondContact N-O 3.22Å; I97-W115 VanDerWaalsContact N-O 3.14Å; I97-W115 PolarHBondContact O-N 2.99Å
98	V	98.7	Very high	97	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.5	168.8	177.7	0	0	0	0	108.7	A43 M44 F79 W83 P95 S113	A43-V98 HydrophobicContact CB-CB 4.44Å; A43-V98 HydrophobicContact CB-CG1 4.35Å; A43-V98 HydrophobicContact CB-CG2 4.12Å; M44-V98 HydrophobicContact CG-CB 4.23Å; M44-V98 HydrophobicContact CG-CG2 4.16Å; F79-V98 HydrophobicContact CZ-CG1 4.15Å; W83-V98 HydrophobicContact CZ2-CG1 3.96Å; W83-V98 HydrophobicContact CZ2-CG2 4.23Å; P95-V98 HydrophobicContact CB-CG2 3.83Å; P95-V98 HydrophobicContact CG-CG2 3.83Å; V98-S113 CarbonylContact C-O 3.56Å; V98-S113 WeakPolarHBondContact CA-O 3.25Å
99	K	98.7	Very high	97.2	Very high	88 Å²	88	60.4 Å²	60.4	38%	0.383	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.7	170.9	-64.2	-69.6	168.9	-166.4	0	111.7	E40 I97 S112 S113 W115	E40-K99 VanDerWaalsContact OE1-CA 3.31Å; E40-K99 WeakPolarHBondContact OE1-CA 3.41Å; E40-K99 WeakPolarHBondContact OE1-CD 3.49Å; E40-K99 WeakPolarHBondContact OE2-CD 3.38Å; E40-K99 IonicContact OE2-NZ 3.77Å; E40-K99 PolarHBondContact OE2-NZ 3.35Å; I97-K99 HydrophobicContact CG2-CG 4.23Å; K99-S112 CarbonylContact O-C 3.59Å; K99-S112 VanDerWaalsContact O-CA 3.23Å; K99-S112 WeakPolarHBondContact O-CA 3.09Å; K99-S112 VanDerWaalsContact O-CB 3.31Å; K99-S112 WeakPolarHBondContact O-CB 3.44Å; K99-S113 PolarHBondContact N-O 3.07Å; K99-S113 PolarHBondContact O-N 3.13Å; K99-W115 HydrophobicContact CB-CH2 4.13Å; K99-W115 HydrophobicContact CB-CZ3 3.7Å; K99-W115 HydrophobicContact CG-CH2 4.36Å; K99-W115 HydrophobicContact CG-CZ3 3.78Å
100	I	98.8	Very high	97.5	Very high	21 Å²	21	59 Å²	59	11%	0.108	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.3	173.7	-67.1	163.3	0	0	0	108.3	T36 F39 E40 F79 E102 F103 I110 K111	T36-I100 HydrophobicContact CG2-CB 3.58Å; T36-I100 HydrophobicContact CG2-CD1 3.63Å; T36-I100 HydrophobicContact CG2-CG1 4.17Å; T36-I100 HydrophobicContact CG2-CG2 3.94Å; T36-I100 WeakPolarHBondContact O-CD1 3.49Å; F39-I100 HydrophobicContact CB-CD1 3.53Å; F39-I100 HydrophobicContact CG-CD1 4.46Å; E40-I100 HydrophobicContact CG-CB 4.42Å; E40-I100 HydrophobicContact CG-CD1 3.91Å; E40-I100 HydrophobicContact CG-CG1 3.87Å; E40-I100 PolarHBondContact OE1-N 3.41Å; F79-I100 HydrophobicContact CE2-CG1 4.49Å; I100-E102 VanDerWaalsContact CG2-O 3.3Å; I100-E102 WeakPolarHBondContact CG2-O 3.43Å; I100-F103 HydrophobicContact CD1-CD1 4.16Å; I100-F103 HydrophobicContact CD1-CE1 4.32Å; I100-F103 HydrophobicContact CG2-CB 3.79Å; I100-F103 HydrophobicContact CG2-CD1 4.32Å; I100-F103 HydrophobicContact CG2-CG 4.31Å; I100-I110 HydrophobicContact CD1-CD1 3.71Å; I100-I110 HydrophobicContact CD1-CG1 4.49Å; I100-I110 HydrophobicContact CG1-CD1 3.96Å; I100-I110 HydrophobicContact CG1-CG1 4.29Å; I100-I110 HydrophobicContact CG2-CD1 4.29Å; I100-I110 HydrophobicContact CG2-CG1 3.94Å; I100-K111 WeakPolarHBondContact CA-O 3.45Å
101	T	98.5	Very high	97.9	Very high	81 Å²	81	53.6 Å²	53.6	50%	0.497	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-23.5	-179.1	52.5	0	0	0	0	111.9	K111	T101-K111 PolarHBondContact N-O 3.49Å; T101-K111 PolarHBondContact OG1-O 2.8Å
102	E	98.6	Very high	98.2	Very high	77 Å²	77	51.4 Å²	51.4	36%	0.36	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	129.6	175	-170.2	177.1	158.8	0	0	109	I100 H109 I110 K111	I100-E102 VanDerWaalsContact CG2-O 3.3Å; I100-E102 WeakPolarHBondContact CG2-O 3.43Å; E102-H109 IonicContact OE1-CD2 3.59Å; E102-H109 PolarHBondContact OE1-CD2 3.15Å; E102-H109 IonicContact OE1-NE2 2.85Å; E102-I110 WeakPolarHBondContact O-CA 3.39Å; E102-I110 WeakPolarHBondContact O-CG1 3.46Å; E102-K111 HydrophobicContact CB-CB 3.92Å; E102-K111 HydrophobicContact CB-CD 4.48Å; E102-K111 HydrophobicContact CB-CG 4.24Å; E102-K111 PolarHBondContact N-O 3.24Å; E102-K111 PolarHBondContact O-N 3.01Å; E102-K111 IonicContact OE1-NZ 3.84Å; E102-K111 WeakPolarHBondContact OE2-CD 3.41Å; E102-K111 IonicContact OE2-NZ 2.72Å; E102-K111 PolarHBondContact OE2-NZ 2.9Å
103	F	98.4	Very high	98.3	Very high	41 Å²	41	46.3 Å²	46.3	18%	0.18	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	88.6	176.8	-158.1	165.6	0	0	0	110.2	Q35 T36 F39 M72 L75 I100 K105 I110	Q35-F103 HydrophobicContact CG-CE1 4.41Å; T36-F103 HydrophobicContact CG2-CD1 4.24Å; F39-F103 HydrophobicContact CD1-CZ 4.19Å; F39-F103 HydrophobicContact CD2-CE1 4.07Å; F39-F103 AromaticContact CD2-CZ 3.97Å; F39-F103 HydrophobicContact CD2-CZ 3.97Å; F39-F103 HydrophobicContact CE1-CZ 4.07Å; F39-F103 HydrophobicContact CE2-CE1 4.41Å; F39-F103 AromaticContact CE2-CZ 3.87Å; F39-F103 HydrophobicContact CE2-CZ 3.87Å; F39-F103 HydrophobicContact CG-CE1 4.16Å; F39-F103 HydrophobicContact CG-CZ 4.16Å; F39-F103 AromaticContact CZ-CZ 3.92Å; F39-F103 HydrophobicContact CZ-CZ 3.92Å; M72-F103 HydrophobicContact CE-CE2 3.91Å; M72-F103 HydrophobicContact CE-CZ 3.78Å; L75-F103 HydrophobicContact CD2-CD2 4.4Å; L75-F103 HydrophobicContact CD2-CE2 3.72Å; I100-F103 HydrophobicContact CD1-CD1 4.16Å; I100-F103 HydrophobicContact CD1-CE1 4.32Å; I100-F103 HydrophobicContact CG2-CB 3.79Å; I100-F103 HydrophobicContact CG2-CD1 4.32Å; I100-F103 HydrophobicContact CG2-CG 4.31Å; F103-K105 HydrophobicContact CD2-CG 3.83Å; F103-K105 HydrophobicContact CE2-CG 3.76Å; F103-K105 HydrophobicContact CG-CG 4.48Å; F103-K105 HydrophobicContact CZ-CG 4.37Å; F103-K105 PolarHBondContact O-N 2.82Å; F103-I110 HydrophobicContact CD1-CD1 4.49Å; F103-I110 HydrophobicContact CD2-CD1 4.29Å; F103-I110 HydrophobicContact CD2-CG1 4.42Å; F103-I110 HydrophobicContact CE1-CD1 4.45Å; F103-I110 HydrophobicContact CE2-CD1 4.25Å; F103-I110 HydrophobicContact CG-CD1 4.41Å; F103-I110 HydrophobicContact CZ-CD1 4.31Å
104	D	98.3	Very high	98.3	Very high	45 Å²	45	46.2 Å²	46.2	24%	0.241	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	99.7	175.1	-174.6	-17.7	0	0	0	109.6	E106 N107 F108 H109	D104-E106 VanDerWaalsContact C-N 3.31Å; D104-E106 PolarHBondContact OD1-N 3.14Å; D104-N107 PolarHBondContact OD1-N 2.77Å; D104-N107 WeakPolarHBondContact OD2-CB 3.43Å; D104-N107 PolarHBondContact OD2-ND2 2.93Å; D104-F108 CarbonylContact O-C 3.58Å; D104-F108 VanDerWaalsContact O-CA 3.29Å; D104-F108 WeakPolarHBondContact O-CA 3.41Å; D104-F108 PolarHBondContact O-N 2.85Å; D104-H109 HydrophobicContact CB-CB 4.17Å; D104-H109 PolarHBondContact N-O 3.05Å; D104-H109 PolarHBondContact O-N 3.35Å
105	K	96.7	Very high	98.4	Very high	67 Å²	67	49.9 Å²	49.9	29%	0.291	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.2	178.5	-61.9	-174.8	-179.5	-173.7	0	113.5	Q35 M72 F103 F108 E142	Q35-K105 VanDerWaalsContact CB-NZ 3.28Å; M72-K105 HydrophobicContact CE-CG 4.47Å; M72-K105 HydrophobicContact SD-CB 4.22Å; M72-K105 HydrophobicContact SD-CG 4.19Å; F103-K105 HydrophobicContact CD2-CG 3.83Å; F103-K105 HydrophobicContact CE2-CG 3.76Å; F103-K105 HydrophobicContact CG-CG 4.48Å; F103-K105 HydrophobicContact CZ-CG 4.37Å; F103-K105 PolarHBondContact O-N 2.82Å; K105-F108 VanDerWaalsContact O-CE1 3.28Å; K105-F108 WeakPolarHBondContact O-CE1 3.26Å; K105-E142 IonicContact NZ-OE1 2.79Å; K105-E142 PolarHBondContact NZ-OE1 2.94Å; K105-E142 IonicContact NZ-OE2 3.4Å; K105-E142 PolarHBondContact NZ-OE2 2.88Å
106	E	97.4	Very high	98.4	Very high	170 Å²	170	49.9 Å²	49.9	79%	0.794	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-43.5	179.2	-65.7	-173.7	175	0	0	110.8	D104	D104-E106 VanDerWaalsContact C-N 3.31Å; D104-E106 PolarHBondContact OD1-N 3.14Å
107	N	98.4	Very high	98.4	Very high	114 Å²	114	47.9 Å²	47.9	61%	0.61	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	3.2	177.3	-60.2	-65.1	0	0	0	113.3	D104	D104-N107 PolarHBondContact OD1-N 2.77Å; D104-N107 WeakPolarHBondContact OD2-CB 3.43Å; D104-N107 PolarHBondContact OD2-ND2 2.93Å
108	F	98.5	Very high	98.4	Very high	54 Å²	54	46.9 Å²	46.9	24%	0.237	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	56.5	-178.2	-53.2	-67	0	0	0	112.7	N68 G69 M72 L75 D104 K105	N68-F108 CarbonylContact C-O 3.57Å; N68-F108 WeakPolarHBondContact CA-O 3.41Å; G69-F108 PolarHBondContact N-O 3.38Å; G69-F108 WeakPolarHBondContact O-CB 3.31Å; M72-F108 HydrophobicContact CG-CD1 4.28Å; M72-F108 HydrophobicContact CG-CE1 3.94Å; M72-F108 HydrophobicContact SD-CD1 3.92Å; M72-F108 HydrophobicContact SD-CE1 4.03Å; L75-F108 WeakPolarHBondContact CD1-O 3.33Å; L75-F108 HydrophobicContact CD2-CB 4.39Å; D104-F108 CarbonylContact O-C 3.58Å; D104-F108 VanDerWaalsContact O-CA 3.29Å; D104-F108 WeakPolarHBondContact O-CA 3.41Å; D104-F108 PolarHBondContact O-N 2.85Å; K105-F108 VanDerWaalsContact O-CE1 3.28Å; K105-F108 WeakPolarHBondContact O-CE1 3.26Å
109	H	98.8	Very high	98.2	Very high	20 Å²	20	48.8 Å²	48.8	9%	0.093	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.4	-178.7	178.3	75.4	0	0	0	110.8	E66 N68 E102 D104 K111	E66-H109 VanDerWaalsContact CD-CE1 3.45Å; E66-H109 VanDerWaalsContact CG-CE1 3.41Å; E66-H109 WeakPolarHBondContact CG-CE1 3.16Å; E66-H109 IonicContact OE1-CE1 3.95Å; E66-H109 PolarHBondContact OE1-CE1 3.07Å; E66-H109 VanDerWaalsContact OE1-CE1 3.22Å; N68-H109 PolarHBondContact OD1-ND1 2.97Å; E102-H109 IonicContact OE1-CD2 3.59Å; E102-H109 PolarHBondContact OE1-CD2 3.15Å; E102-H109 IonicContact OE1-NE2 2.85Å; D104-H109 HydrophobicContact CB-CB 4.17Å; D104-H109 PolarHBondContact N-O 3.05Å; D104-H109 PolarHBondContact O-N 3.35Å; H109-K111 VanDerWaalsContact NE2-CE 3.33Å; H109-K111 WeakPolarHBondContact NE2-CE 3.24Å; H109-K111 PolarHBondContact NE2-NZ 2.9Å
110	I	98.9	Very high	98	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.8	-179.8	-163.3	168.4	0	0	0	111	F39 E66 A67 L75 F79 I100 E102 F103	F39-I110 HydrophobicContact CD1-CD1 3.83Å; F39-I110 HydrophobicContact CE1-CD1 4.35Å; E66-I110 WeakPolarHBondContact CA-O 3.1Å; A67-I110 HydrophobicContact CB-CG2 3.8Å; A67-I110 PolarHBondContact N-O 2.84Å; A67-I110 PolarHBondContact O-N 3.24Å; L75-I110 HydrophobicContact CD1-CB 4Å; L75-I110 HydrophobicContact CD1-CG2 3.57Å; L75-I110 HydrophobicContact CG-CB 4.48Å; L75-I110 HydrophobicContact CG-CG2 4.27Å; F79-I110 HydrophobicContact CB-CG2 4.12Å; F79-I110 HydrophobicContact CD2-CD1 3.8Å; F79-I110 HydrophobicContact CD2-CG1 4.31Å; F79-I110 HydrophobicContact CD2-CG2 3.87Å; F79-I110 HydrophobicContact CE2-CD1 4.05Å; F79-I110 HydrophobicContact CG-CD1 4.25Å; F79-I110 HydrophobicContact CG-CG2 4.39Å; I100-I110 HydrophobicContact CD1-CD1 3.71Å; I100-I110 HydrophobicContact CD1-CG1 4.49Å; I100-I110 HydrophobicContact CG1-CD1 3.96Å; I100-I110 HydrophobicContact CG1-CG1 4.29Å; I100-I110 HydrophobicContact CG2-CD1 4.29Å; I100-I110 HydrophobicContact CG2-CG1 3.94Å; E102-I110 WeakPolarHBondContact O-CA 3.39Å; E102-I110 WeakPolarHBondContact O-CG1 3.46Å; F103-I110 HydrophobicContact CD1-CD1 4.49Å; F103-I110 HydrophobicContact CD2-CD1 4.29Å; F103-I110 HydrophobicContact CD2-CG1 4.42Å; F103-I110 HydrophobicContact CE1-CD1 4.45Å; F103-I110 HydrophobicContact CE2-CD1 4.25Å; F103-I110 HydrophobicContact CG-CD1 4.41Å; F103-I110 HydrophobicContact CZ-CD1 4.31Å
111	K	98.9	Very high	97.7	Very high	63 Å²	63	53 Å²	53	27%	0.274	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.3	165.6	-63.6	-175.2	-177.1	117.3	0	109.6	E66 I100 T101 E102 H109	E66-K111 HydrophobicContact CB-CG 4.25Å; E66-K111 HydrophobicContact CG-CG 3.98Å; E66-K111 WeakPolarHBondContact OE2-CE 3.4Å; I100-K111 WeakPolarHBondContact CA-O 3.45Å; T101-K111 PolarHBondContact N-O 3.49Å; T101-K111 PolarHBondContact OG1-O 2.8Å; E102-K111 HydrophobicContact CB-CB 3.92Å; E102-K111 HydrophobicContact CB-CD 4.48Å; E102-K111 HydrophobicContact CB-CG 4.24Å; E102-K111 PolarHBondContact N-O 3.24Å; E102-K111 PolarHBondContact O-N 3.01Å; E102-K111 IonicContact OE1-NZ 3.84Å; E102-K111 WeakPolarHBondContact OE2-CD 3.41Å; E102-K111 IonicContact OE2-NZ 2.72Å; E102-K111 PolarHBondContact OE2-NZ 2.9Å; H109-K111 VanDerWaalsContact NE2-CE 3.33Å; H109-K111 WeakPolarHBondContact NE2-CE 3.24Å; H109-K111 PolarHBondContact NE2-NZ 2.9Å
112	S	98.8	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.9	175.4	70.9	0	0	0	0	112.4	E64 I65 F79 W83 K99	E64-S112 WeakPolarHBondContact CA-O 3.43Å; I65-S112 VanDerWaalsContact CD1-OG 3.31Å; I65-S112 WeakPolarHBondContact CD1-OG 3.45Å; I65-S112 WeakPolarHBondContact CG1-OG 3.35Å; I65-S112 PolarHBondContact N-O 2.93Å; I65-S112 PolarHBondContact O-N 2.79Å; F79-S112 WeakPolarHBondContact CE2-OG 3.31Å; W83-S112 VanDerWaalsContact CZ2-OG 3.27Å; W83-S112 WeakPolarHBondContact CZ2-OG 3.39Å; W83-S112 PolarHBondContact NE1-OG 2.85Å; K99-S112 CarbonylContact O-C 3.59Å; K99-S112 VanDerWaalsContact O-CA 3.23Å; K99-S112 WeakPolarHBondContact O-CA 3.09Å; K99-S112 VanDerWaalsContact O-CB 3.31Å; K99-S112 WeakPolarHBondContact O-CB 3.44Å
113	S	98.7	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.3	173	-56.8	0	0	0	0	109.5	R62 F63 E64 V98 K99 W115	R62-S113 VanDerWaalsContact CZ-OG 3.26Å; R62-S113 PolarHBondContact NE-OG 3.42Å; R62-S113 PolarHBondContact NH2-OG 3.21Å; F63-S113 CarbonylContact O-C 3.57Å; F63-S113 WeakPolarHBondContact O-CA 3.25Å; E64-S113 PolarHBondContact OE1-OG 2.91Å; E64-S113 VanDerWaalsContact OE1-OG 3.05Å; V98-S113 CarbonylContact C-O 3.56Å; V98-S113 WeakPolarHBondContact CA-O 3.25Å; K99-S113 PolarHBondContact N-O 3.07Å; K99-S113 PolarHBondContact O-N 3.13Å; S113-W115 VanDerWaalsContact O-CZ3 3.23Å; S113-W115 WeakPolarHBondContact O-CZ3 3.41Å
114	G	98.6	Very high	96.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	139.6	172.5	0	0	0	0	0	109.7	R62 F63 W83 I97	R62-G114 CarbonylContact C-O 3.53Å; R62-G114 VanDerWaalsContact CA-O 3.24Å; R62-G114 WeakPolarHBondContact CA-O 3.38Å; F63-G114 PolarHBondContact N-O 2.77Å; F63-G114 PolarHBondContact O-N 3.34Å; W83-G114 VanDerWaalsContact CH2-CA 3.47Å; W83-G114 VanDerWaalsContact CH2-N 3.27Å; I97-G114 CarbonylContact O-C 3.03Å; I97-G114 WeakPolarHBondContact O-CA 3.47Å
115	W	98.7	Very high	96.4	Very high	76 Å²	76	51.7 Å²	51.7	29%	0.288	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.3	169.5	-67	-101.1	0	0	0	108.7	T59 Q61 R96 I97 K99 S113	T59-W115 HydrophobicContact CG2-CB 3.96Å; Q61-W115 CarbonylContact O-C 3.5Å; Q61-W115 VanDerWaalsContact O-CA 3.28Å; Q61-W115 WeakPolarHBondContact O-CA 3.41Å; R96-W115 PolarHBondContact N-O 3.4Å; I97-W115 HydrophobicContact CB-CE3 4.48Å; I97-W115 HydrophobicContact CG2-CE3 4.32Å; I97-W115 PolarHBondContact N-O 3.22Å; I97-W115 VanDerWaalsContact N-O 3.14Å; I97-W115 PolarHBondContact O-N 2.99Å; K99-W115 HydrophobicContact CB-CH2 4.13Å; K99-W115 HydrophobicContact CB-CZ3 3.7Å; K99-W115 HydrophobicContact CG-CH2 4.36Å; K99-W115 HydrophobicContact CG-CZ3 3.78Å; S113-W115 VanDerWaalsContact O-CZ3 3.23Å; S113-W115 WeakPolarHBondContact O-CZ3 3.41Å
116	G	98.4	Very high	96	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-151.1	-164.2	0	0	0	0	0	111.5	D58 S60 Q61 I94	D58-G116 CarbonylContact O-C 3.57Å; D58-G116 WeakPolarHBondContact O-CA 3.48Å; S60-G116 PolarHBondContact N-O 3.17Å; S60-G116 VanDerWaalsContact N-O 3.15Å; Q61-G116 PolarHBondContact N-O 3.16Å; Q61-G116 PolarHBondContact O-N 3.07Å; I94-G116 VanDerWaalsContact O-CA 3.24Å; I94-G116 WeakPolarHBondContact O-CA 3.35Å
117	E	97.8	Very high	95.5	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	167	178	58.7	-176	154.7	0	0	110.3	V57 D58 I94 F119 K123 H124	V57-E117 WeakPolarHBondContact CA-OE1 3.34Å; V57-E117 HydrophobicContact CG1-CG 4.1Å; D58-E117 PolarHBondContact N-OE1 3.02Å; I94-E117 VanDerWaalsContact CG2-O 3.25Å; I94-E117 WeakPolarHBondContact CG2-O 3.31Å; I94-E117 PolarHBondContact N-O 2.93Å; I94-E117 PolarHBondContact O-N 3.26Å; E117-F119 PolarHBondContact O-N 3.5Å; E117-K123 WeakPolarHBondContact OE1-CE 3.41Å; E117-K123 IonicContact OE1-NZ 2.82Å; E117-K123 PolarHBondContact OE1-NZ 2.82Å; E117-K123 IonicContact OE2-NZ 3.22Å; E117-K123 PolarHBondContact OE2-NZ 3.35Å; E117-H124 IonicContact OE1-CE1 3.36Å; E117-H124 PolarHBondContact OE1-CE1 3.28Å; E117-H124 IonicContact OE1-NE2 3.43Å; E117-H124 PolarHBondContact OE1-NE2 2.91Å
118	P	97.5	Very high	95.1	Very high	46 Å²	46	42 Å²	42	30%	0.299	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	136.4	165.1	-28	37.6	0	0	0	111.2	Q61 P91 D120 H124	Q61-P118 VanDerWaalsContact NE2-CD 3.29Å; P91-P118 HydrophobicContact CB-CG 4.45Å; P91-P118 WeakPolarHBondContact O-CB 3.31Å; P118-D120 PolarHBondContact O-N 3.47Å; P118-H124 PolarHBondContact O-CE1 3.08Å
119	F	95.6	Very high	94.7	Very high	40 Å²	40	45.5 Å²	45.5	18%	0.175	24%	0.242	C	C	.	.			trans	-65	126.6	176.8	-172.4	-98.7	0	0	0	110.5	F87 F92 I94 E117 I121 H124	F87-F119 HydrophobicContact CD2-CB 4.49Å; F87-F119 HydrophobicContact CE2-CB 3.84Å; F87-F119 HydrophobicContact CE2-CD1 4.44Å; F87-F119 AromaticContact CE2-CD2 3.55Å; F87-F119 HydrophobicContact CE2-CD2 3.55Å; F87-F119 HydrophobicContact CE2-CE2 4.15Å; F87-F119 AromaticContact CE2-CG 3.7Å; F87-F119 HydrophobicContact CE2-CG 3.7Å; F87-F119 HydrophobicContact CZ-CD1 4.44Å; F87-F119 HydrophobicContact CZ-CD2 4.04Å; F87-F119 HydrophobicContact CZ-CE2 4.25Å; F87-F119 HydrophobicContact CZ-CG 4.11Å; F92-F119 HydrophobicContact CB-CB 4.33Å; F92-F119 VanDerWaalsContact O-CB 3.29Å; F92-F119 WeakPolarHBondContact O-CB 3.48Å; F92-F119 PolarHBondContact O-N 2.77Å; I94-F119 HydrophobicContact CB-CD2 4.32Å; I94-F119 HydrophobicContact CD1-CD2 3.95Å; I94-F119 HydrophobicContact CD1-CE2 4.24Å; I94-F119 HydrophobicContact CG2-CB 4.11Å; I94-F119 HydrophobicContact CG2-CD2 4.03Å; E117-F119 PolarHBondContact O-N 3.5Å; F119-I121 HydrophobicContact CE1-CB 4.46Å; F119-H124 WeakPolarHBondContact CA-ND1 3.46Å; F119-H124 HydrophobicContact CD2-CB 3.75Å; F119-H124 AromaticContact CD2-ND1 3.68Å; F119-H124 HydrophobicContact CE2-CB 3.39Å; F119-H124 HydrophobicContact CZ-CB 3.96Å; F119-H124 WeakPolarHBondContact CZ-O 3.36Å
120	D	94.6	Very high	94.5	Very high	74 Å²	74	44.9 Å²	44.9	40%	0.396	24%	0.24	S	C	.	.			trans	-125.4	109.4	178.1	175.3	-7.4	0	0	0	108.5	P118 S122 K123 H124	P118-D120 PolarHBondContact O-N 3.47Å; D120-S122 PolarHBondContact O-N 2.89Å; D120-S122 VanDerWaalsContact OD1-CB 3.29Å; D120-S122 WeakPolarHBondContact OD1-CB 3.32Å; D120-S122 PolarHBondContact OD1-N 3.38Å; D120-S122 PolarHBondContact OD1-OG 2.79Å; D120-S122 PolarHBondContact OD2-OG 2.71Å; D120-K123 HydrophobicContact CB-CB 4.14Å; D120-K123 CarbonylContact O-C 3.57Å; D120-K123 PolarHBondContact O-N 3.49Å; D120-H124 PolarHBondContact N-ND1 2.63Å; D120-H124 PolarHBondContact O-N 3.4Å
121	I	92.2	Very high	94.2	Very high	123 Å²	123	50.4 Å²	50.4	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.5	-177.2	-158.1	169.6	0	0	0	113.9	F119 K123	F119-I121 HydrophobicContact CE1-CB 4.46Å; I121-K123 VanDerWaalsContact C-N 3.33Å
122	S	92.7	Very high	94	Very high	99 Å²	99	49 Å²	49	69%	0.692	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.3	176.7	76.8	0	0	0	0	112.9	D120	D120-S122 PolarHBondContact O-N 2.89Å; D120-S122 VanDerWaalsContact OD1-CB 3.29Å; D120-S122 WeakPolarHBondContact OD1-CB 3.32Å; D120-S122 PolarHBondContact OD1-N 3.38Å; D120-S122 PolarHBondContact OD1-OG 2.79Å; D120-S122 PolarHBondContact OD2-OG 2.71Å
123	K	93.3	Very high	93.9	Very high	63 Å²	63	49.4 Å²	49.4	27%	0.274	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-35.1	-178.6	-174	-177.6	-179.7	-169.9	0	112.8	S56 D58 E117 D120 I121 P125	S56-K123 WeakPolarHBondContact CB-O 3.3Å; S56-K123 WeakPolarHBondContact O-CE 3.36Å; S56-K123 PolarHBondContact OG-O 3.36Å; D58-K123 VanDerWaalsContact CG-NZ 3.35Å; D58-K123 IonicContact OD2-NZ 2.63Å; D58-K123 PolarHBondContact OD2-NZ 2.66Å; E117-K123 WeakPolarHBondContact OE1-CE 3.41Å; E117-K123 IonicContact OE1-NZ 2.82Å; E117-K123 PolarHBondContact OE1-NZ 2.82Å; E117-K123 IonicContact OE2-NZ 3.22Å; E117-K123 PolarHBondContact OE2-NZ 3.35Å; D120-K123 HydrophobicContact CB-CB 4.14Å; D120-K123 CarbonylContact O-C 3.57Å; D120-K123 PolarHBondContact O-N 3.49Å; I121-K123 VanDerWaalsContact C-N 3.33Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å
124	H	92.1	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-116	84.3	-178.4	-40.7	134	0	0	0	107.6	S56 E117 P118 F119 D120 Q126	S56-H124 PolarHBondContact OG-CD2 2.86Å; E117-H124 IonicContact OE1-CE1 3.36Å; E117-H124 PolarHBondContact OE1-CE1 3.28Å; E117-H124 IonicContact OE1-NE2 3.43Å; E117-H124 PolarHBondContact OE1-NE2 2.91Å; P118-H124 PolarHBondContact O-CE1 3.08Å; F119-H124 WeakPolarHBondContact CA-ND1 3.46Å; F119-H124 HydrophobicContact CD2-CB 3.75Å; F119-H124 AromaticContact CD2-ND1 3.68Å; F119-H124 HydrophobicContact CE2-CB 3.39Å; F119-H124 HydrophobicContact CZ-CB 3.96Å; F119-H124 WeakPolarHBondContact CZ-O 3.36Å; D120-H124 PolarHBondContact N-ND1 2.63Å; D120-H124 PolarHBondContact O-N 3.4Å; H124-Q126 PolarHBondContact O-N 3.2Å; H124-Q126 VanDerWaalsContact O-N 3.16Å
125	P	87.6	Confident	93.5	Very high	55 Å²	55	56.3 Å²	56.3	36%	0.357	30%	0.297	S	S	.	.			trans	-61.2	126.9	-178.6	-14.6	27.1	0	0	0	109.4	T51 T52 K123 G127	T51-P125 PolarHBondContact OG1-O 2.88Å; T52-P125 PolarHBondContact N-O 2.72Å; T52-P125 WeakPolarHBondContact OG1-CB 3.31Å; T52-P125 PolarHBondContact OG1-O 2.8Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-G127 PolarHBondContact O-N 3.48Å
126	Q	87.8	Confident	93.1	Very high	77 Å²	77	56 Å²	56	36%	0.36	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-55.6	128.5	-175.8	-171	70.6	37.9	0	0	110.5	M50 H124	M50-Q126 PolarHBondContact O-NE2 3.04Å; H124-Q126 PolarHBondContact O-N 3.2Å; H124-Q126 VanDerWaalsContact O-N 3.16Å
127	G	87.3	Confident	92.7	Very high	28 Å²	28	60.4 Å²	60.4	29%	0.289	33%	0.329	S	S	.	.			trans	-88.4	-121.1	167	0	0	0	0	0	109.1	M50 P125	M50-G127 WeakPolarHBondContact O-CA 3.4Å; M50-G127 PolarHBondContact O-N 2.91Å; P125-G127 PolarHBondContact O-N 3.48Å
128	T	89.8	Confident	92.7	Very high	42 Å²	42	60.1 Å²	60.1	26%	0.258	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-94.1	139.8	177	-56.5	0	0	0	0	110.5	Y49 M50 I155	Y49-T128 HydrophobicContact CD1-CG2 4.45Å; Y49-T128 HydrophobicContact CE1-CG2 3.62Å; Y49-T128 PolarHBondContact O-N 3.05Å; Y49-T128 PolarHBondContact OH-OG1 2.94Å; M50-T128 WeakPolarHBondContact CA-O 3.5Å; T128-I155 HydrophobicContact CG2-CB 3.52Å; T128-I155 HydrophobicContact CG2-CD1 3.68Å; T128-I155 HydrophobicContact CG2-CG1 4.18Å; T128-I155 HydrophobicContact CG2-CG2 3.66Å
129	E	91.7	Very high	92.7	Very high	128 Å²	128	60.9 Å²	60.9	60%	0.598	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-72.8	130.1	168.4	-176.7	176.4	-174.9	0	0	108.7	I155	E129-I155 WeakPolarHBondContact O-CA 3.48Å; E129-I155 VanDerWaalsContact O-CB 3.29Å; E129-I155 WeakPolarHBondContact O-CB 3.42Å; E129-I155 WeakPolarHBondContact O-CG2 2.88Å
130	V	93.8	Very high	92.8	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-103.7	122.2	172.1	176.4	0	0	0	0	107.1	Y49 M50 L84 I153 D154 I155	Y49-V130 HydrophobicContact CD1-CG2 4.26Å; M50-V130 HydrophobicContact CE-CB 3.5Å; M50-V130 HydrophobicContact CE-CG1 4.09Å; M50-V130 HydrophobicContact CE-CG2 3.78Å; M50-V130 HydrophobicContact CG-CB 4.26Å; M50-V130 HydrophobicContact CG-CG2 3.65Å; L84-V130 HydrophobicContact CD1-CB 4.32Å; L84-V130 HydrophobicContact CD1-CG1 4.22Å; L84-V130 HydrophobicContact CD2-CG1 4.4Å; V130-I153 HydrophobicContact CG1-CB 3.93Å; V130-I153 HydrophobicContact CG1-CD1 4.29Å; V130-I153 HydrophobicContact CG1-CG2 4.34Å; V130-I153 HydrophobicContact CG2-CD1 3.77Å; V130-D154 CarbonylContact C-O 3.58Å; V130-I155 HydrophobicContact CG2-CG2 4.2Å
131	K	93.2	Very high	92.8	Very high	116 Å²	116	60.3 Å²	60.3	50%	0.504	32%	0.324	S	S	.	.			trans	-91.6	-40.5	-174.7	-65.8	172.6	-175.7	139.9	0	112.5	D154 I155	K131-D154 PolarHBondContact N-O 2.89Å; K131-I155 WeakPolarHBondContact CE-OXT 3.43Å; K131-I155 PolarHBondContact NZ-O 3.34Å; K131-I155 PolarHBondContact NZ-OXT 2.82Å
132	A	94.9	Very high	92.9	Very high	34 Å²	34	59.1 Å²	59.1	28%	0.281	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	154.5	-175.3	0	0	0	0	0	112.4	D154	A132-D154 HydrophobicContact CB-CB 4.29Å; A132-D154 PolarHBondContact O-N 3.09Å
133	I	96	Very high	92.8	Very high	7 Å²	7	58 Å²	58	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145.5	162.7	-47.1	-55.4	0	0	0	107.9	M46 F77 L80 L84 M138 V151 I153	M46-I133 HydrophobicContact SD-CD1 3.59Å; M46-I133 VanDerWaalsContact SD-CD1 3.59Å; F77-I133 HydrophobicContact CD2-CB 4.15Å; F77-I133 HydrophobicContact CD2-CG2 3.96Å; F77-I133 HydrophobicContact CE2-CB 4.07Å; F77-I133 HydrophobicContact CE2-CG2 4.35Å; F77-I133 WeakPolarHBondContact CE2-O 3.4Å; L80-I133 HydrophobicContact CB-CD1 3.85Å; L80-I133 HydrophobicContact CB-CG1 3.74Å; L80-I133 HydrophobicContact CB-CG2 4.28Å; L80-I133 HydrophobicContact CD1-CD1 4.5Å; L80-I133 HydrophobicContact CD1-CG2 4.26Å; L84-I133 HydrophobicContact CD2-CD1 4.36Å; L84-I133 HydrophobicContact CD2-CG1 4.4Å; I133-M138 HydrophobicContact CG2-CE 4.24Å; I133-V151 HydrophobicContact CG2-CG1 3.66Å; I133-I153 HydrophobicContact CD1-CG2 3.91Å
134	T	94	Very high	92.4	Very high	32 Å²	32	63.4 Å²	63.4	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.1	178.2	77.9	0	0	0	0	111.6	S136 M138 I152 D154	T134-S136 PolarHBondContact O-N 3.16Å; T134-S136 WeakPolarHBondContact OG1-CB 3.48Å; T134-S136 PolarHBondContact OG1-N 2.92Å; T134-M138 VanDerWaalsContact O-CE 3.31Å; T134-M138 WeakPolarHBondContact O-CE 3.29Å; T134-I152 PolarHBondContact N-O 3.1Å; T134-I152 WeakPolarHBondContact OG1-CB 3.42Å; T134-I152 PolarHBondContact OG1-O 3.24Å; T134-D154 HydrophobicContact CG2-CB 4.24Å
135	Y	94.3	Very high	92.1	Very high	114 Å²	114	71.6 Å²	71.6	45%	0.447	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-6.8	165.9	-75.5	-74.5	0	0	0	112.9	F77 N137 M138	F77-Y135 HydrophobicContact CB-CE1 3.82Å; F77-Y135 HydrophobicContact CB-CE2 4.41Å; F77-Y135 HydrophobicContact CD1-CE2 4.21Å; F77-Y135 HydrophobicContact CD2-CD1 4.46Å; F77-Y135 AromaticContact CD2-CD2 3.89Å; F77-Y135 HydrophobicContact CD2-CD2 3.89Å; F77-Y135 HydrophobicContact CD2-CE1 4.22Å; F77-Y135 AromaticContact CD2-CE2 3.62Å; F77-Y135 HydrophobicContact CD2-CE2 3.62Å; F77-Y135 HydrophobicContact CD2-CG 4.31Å; F77-Y135 AromaticContact CD2-CZ 3.81Å; F77-Y135 HydrophobicContact CE1-CE2 4.47Å; F77-Y135 HydrophobicContact CE2-CD2 4.03Å; F77-Y135 AromaticContact CE2-CE2 3.86Å; F77-Y135 HydrophobicContact CE2-CE2 3.86Å; F77-Y135 HydrophobicContact CG-CE1 4.11Å; F77-Y135 AromaticContact CG-CE2 3.81Å; F77-Y135 HydrophobicContact CG-CE2 3.81Å; F77-Y135 AromaticContact CG-CZ 3.59Å; F77-Y135 HydrophobicContact CZ-CE2 4.31Å; Y135-N137 PolarHBondContact O-N 3.37Å; Y135-N137 VanDerWaalsContact O-N 3.15Å; Y135-M138 HydrophobicContact CD1-CE 4.41Å; Y135-M138 HydrophobicContact CD1-SD 4.37Å; Y135-M138 PolarHBondContact O-N 3.42Å
136	S	90.5	Very high	92.3	Very high	68 Å²	68	72 Å²	72	48%	0.476	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	119.3	-177.2	-170.4	0	0	0	0	109.9	T134 M138 I152	T134-S136 PolarHBondContact O-N 3.16Å; T134-S136 WeakPolarHBondContact OG1-CB 3.48Å; T134-S136 PolarHBondContact OG1-N 2.92Å; S136-M138 PolarHBondContact O-N 3.46Å; S136-I152 WeakPolarHBondContact O-CB 3.16Å; S136-I152 WeakPolarHBondContact O-CD1 3.29Å; S136-I152 WeakPolarHBondContact O-CG1 3.17Å
137	N	90.9	Very high	92.7	Very high	94 Å²	94	69.7 Å²	69.7	50%	0.503	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.5	29.3	179	-154.3	43.5	0	0	0	114.1	Q27 Y135 Q139 I152	Q27-N137 PolarHBondContact NE2-ND2 3.3Å; Q27-N137 VanDerWaalsContact NE2-ND2 3.13Å; Y135-N137 PolarHBondContact O-N 3.37Å; Y135-N137 VanDerWaalsContact O-N 3.15Å; N137-Q139 PolarHBondContact O-N 3.33Å; N137-Q139 PolarHBondContact OD1-NE2 3.39Å; N137-I152 HydrophobicContact CB-CD1 3.79Å
138	M	96.8	Very high	93.2	Very high	14 Å²	14	70.8 Å²	70.8	7%	0.069	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.1	175.1	-177	179.4	-68.4	0	0	109.5	M73 L76 F77 I133 T134 Y135 S136 F150 V151	M73-M138 HydrophobicContact CB-SD 4.14Å; M73-M138 VanDerWaalsContact O-SD 3.38Å; L76-M138 HydrophobicContact CB-SD 4.21Å; L76-M138 HydrophobicContact CD2-CG 4.11Å; L76-M138 HydrophobicContact CD2-SD 3.97Å; L76-M138 HydrophobicContact CG-SD 4.15Å; F77-M138 HydrophobicContact CB-CE 4.01Å; F77-M138 HydrophobicContact CD2-CE 4.27Å; I133-M138 HydrophobicContact CG2-CE 4.24Å; T134-M138 VanDerWaalsContact O-CE 3.31Å; T134-M138 WeakPolarHBondContact O-CE 3.29Å; Y135-M138 HydrophobicContact CD1-CE 4.41Å; Y135-M138 HydrophobicContact CD1-SD 4.37Å; Y135-M138 PolarHBondContact O-N 3.42Å; S136-M138 PolarHBondContact O-N 3.46Å; M138-F150 CarbonylContact C-O 3.59Å; M138-F150 VanDerWaalsContact CA-O 3.31Å; M138-F150 WeakPolarHBondContact CA-O 3.32Å; M138-V151 HydrophobicContact CE-CG1 4.26Å; M138-V151 HydrophobicContact CE-CG2 4.41Å; M138-V151 HydrophobicContact CG-CG2 4.39Å
139	Q	97.2	Very high	93.6	Very high	62 Å²	62	68.8 Å²	68.8	29%	0.29	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.1	-178.3	-58.3	171.8	47.3	0	0	110.9	N137 H141 L149 F150	N137-Q139 PolarHBondContact O-N 3.33Å; N137-Q139 PolarHBondContact OD1-NE2 3.39Å; Q139-H141 PolarHBondContact OE1-NE2 2.65Å; Q139-L149 WeakPolarHBondContact O-CA 2.89Å; Q139-F150 HydrophobicContact CB-CB 4.08Å; Q139-F150 HydrophobicContact CB-CD2 3.99Å; Q139-F150 HydrophobicContact CB-CG 4.44Å; Q139-F150 PolarHBondContact N-O 3.14Å; Q139-F150 PolarHBondContact O-N 2.81Å
140	I	97.8	Very high	93.9	Very high	41 Å²	41	64.4 Å²	64.4	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.3	173.7	-56.8	-175.4	0	0	0	106.6	F39 M72 M73 L76 L149	F39-I140 HydrophobicContact CZ-CD1 4.4Å; M72-I140 VanDerWaalsContact C-CD1 3.44Å; M72-I140 HydrophobicContact CB-CD1 3.75Å; M72-I140 WeakPolarHBondContact O-CD1 3.45Å; M73-I140 HydrophobicContact CG-CD1 4.17Å; M73-I140 HydrophobicContact CG-CG1 4.46Å; L76-I140 HydrophobicContact CB-CD1 4.07Å; L76-I140 HydrophobicContact CD2-CD1 3.97Å; L76-I140 HydrophobicContact CD2-CG1 3.89Å; I140-L149 HydrophobicContact CB-CD2 4.06Å; I140-L149 HydrophobicContact CG1-CD2 3.78Å; I140-L149 HydrophobicContact CG2-CD2 3.85Å
141	H	95.8	Very high	94.1	Very high	62 Å²	62	64 Å²	64	29%	0.287	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.2	177.4	-65.8	-77.3	0	0	0	109.2	Q139 M146 H147 E148 F150	Q139-H141 PolarHBondContact OE1-NE2 2.65Å; H141-M146 HydrophobicContact CB-CE 3.59Å; H141-H147 CarbonylContact O-C 3.59Å; H141-H147 VanDerWaalsContact O-CA 3.28Å; H141-H147 WeakPolarHBondContact O-CA 3.47Å; H141-E148 HydrophobicContact CB-CB 4.27Å; H141-E148 PolarHBondContact N-O 2.87Å; H141-E148 PolarHBondContact O-N 3.06Å; H141-F150 AromaticContact CD2-CD2 3.81Å; H141-F150 AromaticContact CD2-CE2 3.64Å; H141-F150 AromaticContact NE2-CE2 3.98Å
142	E	93	Very high	94.2	Very high	97 Å²	97	59.5 Å²	59.5	45%	0.453	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.2	177.4	-174.7	163.7	-160.5	0	0	110.2	K105 M146	K105-E142 IonicContact NZ-OE1 2.79Å; K105-E142 PolarHBondContact NZ-OE1 2.94Å; K105-E142 IonicContact NZ-OE2 3.4Å; K105-E142 PolarHBondContact NZ-OE2 2.88Å; E142-M146 CarbonylContact C-O 3.58Å; E142-M146 WeakPolarHBondContact CA-O 3.28Å
143	N	90.4	Very high	94.2	Very high	77 Å²	77	57.9 Å²	57.9	41%	0.412	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	-178	167.4	67.7	51.4	0	0	0	110.2	H145 M146 H147	N143-H145 PolarHBondContact O-N 3.02Å; N143-H145 PolarHBondContact OD1-N 2.74Å; N143-M146 PolarHBondContact N-O 3.09Å; N143-M146 WeakPolarHBondContact ND2-CB 3.5Å; N143-M146 WeakPolarHBondContact ND2-CE 3.44Å; N143-M146 PolarHBondContact O-N 2.73Å; N143-M146 VanDerWaalsContact OD1-CB 3.31Å; N143-M146 WeakPolarHBondContact OD1-CB 3.25Å; N143-M146 PolarHBondContact OD1-N 2.86Å; N143-H147 PolarHBondContact O-CE1 2.79Å; N143-H147 PolarHBondContact O-NE2 3.5Å
144	E	86.2	Confident	94	Very high	175 Å²	175	60 Å²	60	82%	0.818	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.3	-176.2	-71.6	-171.6	161.9	0	0	115.2
145	H	86.3	Confident	93.8	Very high	173 Å²	173	60.7 Å²	60.7	80%	0.801	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-5.2	-174.2	-57.6	-35.4	0	0	0	114	N143	N143-H145 PolarHBondContact O-N 3.02Å; N143-H145 PolarHBondContact OD1-N 2.74Å
146	M	90.7	Very high	93.8	Very high	62 Å²	62	58.1 Å²	58.1	31%	0.305	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	117.7	-171.1	-167.6	171.1	76.2	0	0	109.1	H141 E142 N143 E148	H141-M146 HydrophobicContact CB-CE 3.59Å; E142-M146 CarbonylContact C-O 3.58Å; E142-M146 WeakPolarHBondContact CA-O 3.28Å; N143-M146 PolarHBondContact N-O 3.09Å; N143-M146 WeakPolarHBondContact ND2-CB 3.5Å; N143-M146 WeakPolarHBondContact ND2-CE 3.44Å; N143-M146 PolarHBondContact O-N 2.73Å; N143-M146 VanDerWaalsContact OD1-CB 3.31Å; N143-M146 WeakPolarHBondContact OD1-CB 3.25Å; N143-M146 PolarHBondContact OD1-N 2.86Å; M146-E148 HydrophobicContact CG-CB 4.47Å; M146-E148 HydrophobicContact CG-CG 3.69Å
147	H	96.4	Very high	93.9	Very high	29 Å²	29	57.5 Å²	57.5	13%	0.134	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	86.5	175.6	-56.4	-72.1	0	0	0	106.5	W31 G32 N34 A38 H141 N143	W31-H147 CarbonylContact C-O 3.56Å; W31-H147 WeakPolarHBondContact CA-O 3.37Å; G32-H147 PolarHBondContact N-O 3.27Å; G32-H147 VanDerWaalsContact N-O 3.14Å; N34-H147 VanDerWaalsContact CA-CD2 3.44Å; N34-H147 WeakPolarHBondContact CA-CD2 3.43Å; A38-H147 HydrophobicContact CB-CB 4.49Å; A38-H147 WeakPolarHBondContact CB-O 3.36Å; H141-H147 CarbonylContact O-C 3.59Å; H141-H147 VanDerWaalsContact O-CA 3.28Å; H141-H147 WeakPolarHBondContact O-CA 3.47Å; N143-H147 PolarHBondContact O-CE1 2.79Å; N143-H147 PolarHBondContact O-NE2 3.5Å
148	E	97.8	Very high	94.1	Very high	51 Å²	51	55.5 Å²	55.5	24%	0.238	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.9	-172	-57.5	-172.4	-169.9	0	0	111.5	H29 S30 W31 H141 M146 F150	H29-E148 IonicContact CD2-OE2 2.89Å; H29-E148 IonicContact CE1-OE2 2.79Å; H29-E148 IonicContact NE2-OE2 2.63Å; H29-E148 PolarHBondContact NE2-OE2 3.21Å; S30-E148 CarbonylContact O-C 3.59Å; S30-E148 VanDerWaalsContact O-CA 3.26Å; S30-E148 WeakPolarHBondContact O-CA 3.09Å; W31-E148 HydrophobicContact CB-CG 3.94Å; H141-E148 HydrophobicContact CB-CB 4.27Å; H141-E148 PolarHBondContact N-O 2.87Å; H141-E148 PolarHBondContact O-N 3.06Å; M146-E148 HydrophobicContact CG-CB 4.47Å; M146-E148 HydrophobicContact CG-CG 3.69Å; E148-F150 HydrophobicContact CB-CE2 4.17Å
149	L	98.2	Very high	93.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.1	176.7	-59.5	179.2	0	0	0	110	H29 S30 A38 F39 I42 L76 Q139 I140	H29-L149 WeakPolarHBondContact CA-O 3.22Å; H29-L149 PolarHBondContact CD2-O 3.4Å; S30-L149 PolarHBondContact N-O 3.15Å; S30-L149 PolarHBondContact O-N 3.04Å; A38-L149 HydrophobicContact CB-CD1 4.12Å; A38-L149 HydrophobicContact CB-CG 4.02Å; A38-L149 WeakPolarHBondContact O-CD1 3.4Å; F39-L149 HydrophobicContact CB-CD1 4.38Å; F39-L149 HydrophobicContact CD2-CD1 3.51Å; F39-L149 HydrophobicContact CD2-CD2 4.27Å; F39-L149 HydrophobicContact CD2-CG 4.41Å; F39-L149 HydrophobicContact CE2-CD1 3.95Å; F39-L149 HydrophobicContact CE2-CD2 3.95Å; F39-L149 HydrophobicContact CG-CD1 3.99Å; I42-L149 HydrophobicContact CB-CD1 4.16Å; I42-L149 HydrophobicContact CD1-CB 4.48Å; I42-L149 HydrophobicContact CG2-CD1 3.67Å; L76-L149 HydrophobicContact CD1-CD1 3.98Å; L76-L149 HydrophobicContact CD2-CD1 4.28Å; L76-L149 HydrophobicContact CD2-CD2 3.92Å; L76-L149 HydrophobicContact CD2-CG 4.49Å; Q139-L149 WeakPolarHBondContact O-CA 2.89Å; I140-L149 HydrophobicContact CB-CD2 4.06Å; I140-L149 HydrophobicContact CG1-CD2 3.78Å; I140-L149 HydrophobicContact CG2-CD2 3.85Å
150	F	97.8	Very high	93.7	Very high	36 Å²	36	57.7 Å²	57.7	16%	0.158	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.8	169	-59.6	-99.4	0	0	0	108.4	Q27 L28 H29 M138 Q139 H141 E148	Q27-F150 HydrophobicContact CG-CB 4.43Å; Q27-F150 HydrophobicContact CG-CD1 4.48Å; L28-F150 WeakPolarHBondContact O-CA 3.34Å; H29-F150 HydrophobicContact CB-CD1 4.06Å; H29-F150 HydrophobicContact CB-CE1 3.98Å; H29-F150 AromaticContact CD2-CD1 3.88Å; H29-F150 AromaticContact CD2-CE1 3.36Å; H29-F150 WeakPolarHBondContact CD2-CE1 3.49Å; H29-F150 AromaticContact CD2-CE2 3.77Å; H29-F150 AromaticContact CD2-CZ 3.3Å; H29-F150 WeakPolarHBondContact CD2-CZ 3.29Å; H29-F150 AromaticContact CE1-CZ 4Å; H29-F150 AromaticContact CG-CE1 3.6Å; H29-F150 AromaticContact CG-CZ 3.98Å; H29-F150 AromaticContact NE2-CE1 3.78Å; H29-F150 AromaticContact NE2-CE2 3.89Å; H29-F150 AromaticContact NE2-CZ 3.32Å; H29-F150 VanDerWaalsContact NE2-CZ 3.32Å; H29-F150 WeakPolarHBondContact NE2-CZ 3.44Å; M138-F150 CarbonylContact C-O 3.59Å; M138-F150 VanDerWaalsContact CA-O 3.31Å; M138-F150 WeakPolarHBondContact CA-O 3.32Å; Q139-F150 HydrophobicContact CB-CB 4.08Å; Q139-F150 HydrophobicContact CB-CD2 3.99Å; Q139-F150 HydrophobicContact CB-CG 4.44Å; Q139-F150 PolarHBondContact N-O 3.14Å; Q139-F150 PolarHBondContact O-N 2.81Å; H141-F150 AromaticContact CD2-CD2 3.81Å; H141-F150 AromaticContact CD2-CE2 3.64Å; H141-F150 AromaticContact NE2-CE2 3.98Å; E148-F150 HydrophobicContact CB-CE2 4.17Å
151	V	97.5	Very high	93.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131	180	178.3	0	0	0	0	108.8	Q27 L28 I42 L76 L80 I133 M138 I153	Q27-V151 CarbonylContact C-O 3.46Å; Q27-V151 WeakPolarHBondContact CA-O 3.38Å; L28-V151 PolarHBondContact N-O 3.31Å; L28-V151 PolarHBondContact O-N 3.39Å; I42-V151 HydrophobicContact CG1-CB 4.4Å; I42-V151 HydrophobicContact CG1-CG2 4.13Å; L76-V151 HydrophobicContact CD1-CG2 4.42Å; L76-V151 HydrophobicContact CD2-CG2 3.66Å; L76-V151 HydrophobicContact CG-CG2 4.08Å; L80-V151 HydrophobicContact CD1-CB 4.23Å; L80-V151 HydrophobicContact CD1-CG1 3.82Å; L80-V151 HydrophobicContact CD1-CG2 3.91Å; I133-V151 HydrophobicContact CG2-CG1 3.66Å; M138-V151 HydrophobicContact CE-CG1 4.26Å; M138-V151 HydrophobicContact CE-CG2 4.41Å; M138-V151 HydrophobicContact CG-CG2 4.39Å; V151-I153 HydrophobicContact CG1-CG2 4.48Å
152	I	95.7	Very high	93.3	Very high	22 Å²	22	58.6 Å²	58.6	11%	0.113	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.7	171.8	-66.7	-175.1	0	0	0	109.1	D25 V26 Q27 T134 S136 N137	D25-I152 HydrophobicContact CB-CG2 3.27Å; V26-I152 WeakPolarHBondContact O-CA 3.34Å; Q27-I152 HydrophobicContact CB-CG1 4.07Å; Q27-I152 HydrophobicContact CG-CG1 4.13Å; T134-I152 PolarHBondContact N-O 3.1Å; T134-I152 WeakPolarHBondContact OG1-CB 3.42Å; T134-I152 PolarHBondContact OG1-O 3.24Å; S136-I152 WeakPolarHBondContact O-CB 3.16Å; S136-I152 WeakPolarHBondContact O-CD1 3.29Å; S136-I152 WeakPolarHBondContact O-CG1 3.17Å; N137-I152 HydrophobicContact CB-CD1 3.79Å
153	I	94.4	Very high	93.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.5	173.6	63	178.9	0	0	0	110.1	D25 V26 L28 Y49 V130 I133 V151 I155	D25-I153 WeakPolarHBondContact CA-O 3.15Å; D25-I153 WeakPolarHBondContact CB-O 3.31Å; V26-I153 HydrophobicContact CB-CD1 4.37Å; V26-I153 HydrophobicContact CB-CG1 3.97Å; V26-I153 PolarHBondContact N-O 3.43Å; V26-I153 WeakPolarHBondContact O-CG1 3.18Å; V26-I153 PolarHBondContact O-N 3.01Å; L28-I153 HydrophobicContact CD1-CD1 4.06Å; L28-I153 HydrophobicContact CD1-CG2 3.87Å; L28-I153 HydrophobicContact CD2-CD1 3.99Å; L28-I153 HydrophobicContact CG-CD1 4.01Å; L28-I153 HydrophobicContact CG-CG1 4.39Å; L28-I153 HydrophobicContact CG-CG2 4.25Å; Y49-I153 HydrophobicContact CD1-CD1 3.81Å; Y49-I153 HydrophobicContact CE1-CD1 4.34Å; Y49-I153 HydrophobicContact CG-CD1 4.43Å; V130-I153 HydrophobicContact CG1-CB 3.93Å; V130-I153 HydrophobicContact CG1-CD1 4.29Å; V130-I153 HydrophobicContact CG1-CG2 4.34Å; V130-I153 HydrophobicContact CG2-CD1 3.77Å; I133-I153 HydrophobicContact CD1-CG2 3.91Å; V151-I153 HydrophobicContact CG1-CG2 4.48Å; I153-I155 HydrophobicContact CD1-CG2 4.31Å; I153-I155 HydrophobicContact CG1-CG2 4.19Å
154	D	93.1	Very high	93.6	Very high	50 Å²	50	53.8 Å²	53.8	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.7	171	179	27.1	0	0	0	109.2	V130 K131 A132 T134	V130-D154 CarbonylContact C-O 3.58Å; K131-D154 PolarHBondContact N-O 2.89Å; A132-D154 HydrophobicContact CB-CB 4.29Å; A132-D154 PolarHBondContact O-N 3.09Å; T134-D154 HydrophobicContact CG2-CB 4.24Å
155	I	88.7	Confident	94.2	Very high	48 Å²	48	42.8 Å²	42.8	25%	0.246	21%	0.206	C	C	.	.			trans	-129.4	0	-172.6	58.4	160.5	0	0	0	112.7	A24 V26 Y49 T128 E129 V130 K131 I153	A24-I155 WeakPolarHBondContact O-CD1 3.42Å; A24-I155 WeakPolarHBondContact O-CG1 3.49Å; V26-I155 HydrophobicContact CG2-CD1 3.96Å; Y49-I155 HydrophobicContact CE1-CG2 4.01Å; T128-I155 HydrophobicContact CG2-CB 3.52Å; T128-I155 HydrophobicContact CG2-CD1 3.68Å; T128-I155 HydrophobicContact CG2-CG1 4.18Å; T128-I155 HydrophobicContact CG2-CG2 3.66Å; E129-I155 WeakPolarHBondContact O-CA 3.48Å; E129-I155 VanDerWaalsContact O-CB 3.29Å; E129-I155 WeakPolarHBondContact O-CB 3.42Å; E129-I155 WeakPolarHBondContact O-CG2 2.88Å; V130-I155 HydrophobicContact CG2-CG2 4.2Å; K131-I155 WeakPolarHBondContact CE-OXT 3.43Å; K131-I155 PolarHBondContact NZ-O 3.34Å; K131-I155 PolarHBondContact NZ-OXT 2.82Å; I153-I155 HydrophobicContact CD1-CG2 4.31Å; I153-I155 HydrophobicContact CG1-CG2 4.19Å

Retrieved 155 of 155 residues in 130.2 ms (Link to these results)

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