A0A087WRD6_MOUSE Loading...

Myelin-associated glycoprotein

AlphaFold DB , UniProt , Accession A0A087WRD6, Species MOUSE (Mus musculus, Mouse), Gene Mag, Length 168 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	43.6	Very low	51.4	Low	234 Å²	234	167.2 Å²	167.2	100%	1.153	86%	0.856	S	S	*	*				0	150	0	-81.7	163.6	58.5	0	0	108.4
2	I	40.7	Very low	51.8	Low	158 Å²	158	163.8 Å²	163.8	81%	0.81	84%	0.839	S	S	*	*			trans	107	76.5	174.3	-50.8	161.5	0	0	0	114.1
3	F	42.1	Very low	52.1	Low	202 Å²	202	163 Å²	163	89%	0.886	83%	0.832	S	S	*	*			trans	32.5	108.9	131.4	-71.4	-86.1	0	0	0	120.9
4	L	48.8	Very low	52.2	Low	168 Å²	168	161.6 Å²	161.6	88%	0.88	83%	0.825	S	S	*	*			trans	-67.2	115.2	149.7	-82	142.6	0	0	0	109.2
5	A	51.3	Low	52.2	Low	93 Å²	93	157.7 Å²	157.7	77%	0.769	82%	0.819	S	S	*	*			trans	-95.8	98.9	168.1	0	0	0	0	0	109.2	L7	A5-L7 PolarHBondContact O-N 2.82Å
6	T	56.7	Low	52.2	Low	126 Å²	126	152.8 Å²	152.8	77%	0.773	81%	0.808	S	S	*	*			trans	-80.5	111.1	167	50.8	0	0	0	0	108.6	P8	T6-P8 WeakPolarHBondContact O-CD 3.3Å
7	L	57	Low	52.3	Low	161 Å²	161	150.3 Å²	150.3	84%	0.843	81%	0.806	S	S	*	*			trans	-69.8	120.2	168.5	-86.4	119.9	0	0	0	109.3	A5 L9	A5-L7 PolarHBondContact O-N 2.82Å; L7-L9 PolarHBondContact O-N 3.47Å
8	P	57.3	Low	52.5	Low	115 Å²	115	155.1 Å²	155.1	75%	0.747	81%	0.811	S	S	*	*			trans	-77.7	111.6	170.9	31.2	-26.9	0	0	0	107.7	T6 F10	T6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-F10 VanDerWaalsContact C-N 3.26Å; P8-F10 PolarHBondContact O-N 3.39Å
9	L	56	Low	53.2	Low	167 Å²	167	149.1 Å²	149.1	87%	0.874	79%	0.79	S	S	*	*			trans	-63.7	92.3	163.1	-86.1	150.3	0	0	0	107.6	L7 W11	L7-L9 PolarHBondContact O-N 3.47Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 2.84Å
10	F	58.2	Low	54.7	Low	184 Å²	184	142.3 Å²	142.3	81%	0.807	76%	0.758	S	S	*	*			trans	-70.4	92.2	170.2	-153.7	-98.4	0	0	0	107.1	P8 I12	P8-F10 VanDerWaalsContact C-N 3.26Å; P8-F10 PolarHBondContact O-N 3.39Å; F10-I12 VanDerWaalsContact C-N 3.29Å; F10-I12 HydrophobicContact CD1-CG1 3.82Å; F10-I12 HydrophobicContact CE1-CG1 4.37Å; F10-I12 PolarHBondContact O-N 3.21Å
11	W	53.4	Low	56.5	Low	231 Å²	231	141.9 Å²	141.9	88%	0.875	75%	0.751	S	S	*	*			trans	-63.7	95.7	166.9	-102.3	-23.1	0	0	0	107.6	L9 M13	L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 2.84Å; W11-M13 PolarHBondContact O-N 3.08Å
12	I	57	Low	59	Low	126 Å²	126	134.1 Å²	134.1	65%	0.646	71%	0.709	S	S	*	*			trans	-68.2	93	162	-57.4	175.5	0	0	0	105.3	F10 I14	F10-I12 VanDerWaalsContact C-N 3.29Å; F10-I12 HydrophobicContact CD1-CG1 3.82Å; F10-I12 HydrophobicContact CE1-CG1 4.37Å; F10-I12 PolarHBondContact O-N 3.21Å; I12-I14 HydrophobicContact CG2-CD1 4.46Å; I12-I14 HydrophobicContact CG2-CG1 3.56Å; I12-I14 PolarHBondContact O-N 3.49Å
13	M	54.8	Low	61.8	Low	154 Å²	154	127.2 Å²	127.2	76%	0.759	68%	0.677	S	S	*	*			trans	-65.4	89.5	158.4	-67.6	-73	-78.8	0	0	105.7	W11 S15	W11-M13 PolarHBondContact O-N 3.08Å; M13-S15 PolarHBondContact O-N 3.25Å
14	I	53.9	Low	64.4	Low	143 Å²	143	118.4 Å²	118.4	73%	0.733	64%	0.642	S	S	*	*			trans	-67.1	91.3	162.6	-57	176.3	0	0	0	104.2	I12 A16	I12-I14 HydrophobicContact CG2-CD1 4.46Å; I12-I14 HydrophobicContact CG2-CG1 3.56Å; I12-I14 PolarHBondContact O-N 3.49Å; I14-A16 PolarHBondContact O-N 2.96Å
15	S	52.8	Low	66.8	Low	104 Å²	104	117.8 Å²	117.8	73%	0.727	63%	0.628	S	S	*	*			trans	-60.7	90.3	160.6	-50.3	0	0	0	0	105.4	M13 S17	M13-S15 PolarHBondContact O-N 3.25Å; S15-S17 PolarHBondContact O-N 2.77Å
16	A	50.9	Low	69.1	Low	78 Å²	78	114.1 Å²	114.1	65%	0.645	60%	0.595	S	S	*	*			trans	-61.5	95.9	163.5	0	0	0	0	0	104.9	I14 R18	I14-A16 PolarHBondContact O-N 2.96Å; A16-R18 PolarHBondContact O-N 2.9Å
17	S	54.2	Low	71.1	Confident	111 Å²	111	109.6 Å²	109.6	78%	0.776	57%	0.568	S	S	*	*			trans	-61.2	95	165.5	54.2	0	0	0	0	105	S15 G19	S15-S17 PolarHBondContact O-N 2.77Å; S17-G19 PolarHBondContact O-N 2.92Å
18	R	57.1	Low	73	Confident	237 Å²	237	106.1 Å²	106.1	89%	0.894	56%	0.556	S	S	*	*			trans	-66.4	79.3	162.8	-74.4	-176	169.2	-171.8	-3	105.7	A16	A16-R18 PolarHBondContact O-N 2.9Å
19	G	65.6	Low	75	Confident	41 Å²	41	105.2 Å²	105.2	42%	0.423	55%	0.549	S	S	.	.			trans	-58.1	142.5	165.6	0	0	0	0	0	107.8	S17	S17-G19 PolarHBondContact O-N 2.92Å
20	G	81.8	Confident	77	Confident	13 Å²	13	97.8 Å²	97.8	13%	0.134	51%	0.51	C	S	.	.			trans	-48.7	155.8	175.8	0	0	0	0	0	112.1	D45 P47 D48	G20-D45 VanDerWaalsContact CA-OD2 3.24Å; G20-D45 WeakPolarHBondContact CA-OD2 3.46Å; G20-P47 VanDerWaalsContact O-CA 3.23Å; G20-P47 WeakPolarHBondContact O-CA 3.47Å; G20-D48 PolarHBondContact N-OD2 3.17Å
21	H	92.9	Very high	79	Confident	133 Å²	133	90.7 Å²	90.7	62%	0.616	48%	0.483	S	S	*	.			trans	-126.3	161	176.1	59.3	-72.6	0	0	0	109.5	G23 D45 F46	H21-G23 PolarHBondContact O-N 2.96Å; H21-G23 VanDerWaalsContact O-N 3.16Å; H21-D45 PolarHBondContact N-OD2 2.68Å; H21-D45 CarbonylContact O-C 3.48Å; H21-D45 WeakPolarHBondContact O-CB 3.27Å; H21-F46 PolarHBondContact O-N 2.9Å
22	W	97.1	Very high	81.1	Confident	71 Å²	71	79.8 Å²	79.8	27%	0.269	44%	0.442	S	S	.	.	S	Bend	trans	-64.5	117.9	172.2	-65.6	104.6	0	0	0	109.3	F46 L50 L121 N125 Y127 F129	W22-F46 HydrophobicContact CD2-CB 4.31Å; W22-F46 HydrophobicContact CE3-CB 3.85Å; W22-F46 HydrophobicContact CH2-CB 4.16Å; W22-F46 HydrophobicContact CZ3-CB 3.76Å; W22-L50 HydrophobicContact CH2-CD1 4.09Å; W22-L50 HydrophobicContact CZ2-CD1 3.68Å; W22-L121 HydrophobicContact CH2-CD1 3.94Å; W22-L121 HydrophobicContact CH2-CD2 4.28Å; W22-L121 HydrophobicContact CZ3-CD1 3.98Å; W22-N125 HydrophobicContact CH2-CB 4.43Å; W22-Y127 HydrophobicContact CB-CD1 4.14Å; W22-Y127 HydrophobicContact CB-CE1 3.99Å; W22-Y127 HydrophobicContact CB-CE2 4.37Å; W22-Y127 HydrophobicContact CB-CG 4.4Å; W22-Y127 HydrophobicContact CD2-CD1 4.35Å; W22-Y127 HydrophobicContact CD2-CD2 4.17Å; W22-Y127 AromaticContact CD2-CG 3.91Å; W22-Y127 HydrophobicContact CD2-CG 3.91Å; W22-Y127 AromaticContact CE3-CD1 4Å; W22-Y127 HydrophobicContact CE3-CD1 4Å; W22-Y127 HydrophobicContact CE3-CD2 4.4Å; W22-Y127 AromaticContact CE3-CG 3.69Å; W22-Y127 HydrophobicContact CE3-CG 3.69Å; W22-Y127 HydrophobicContact CG-CD1 4.46Å; W22-Y127 HydrophobicContact CG-CD2 4.24Å; W22-Y127 HydrophobicContact CG-CE2 4.44Å; W22-Y127 HydrophobicContact CG-CG 4.25Å; W22-Y127 VanDerWaalsContact CZ3-CB 3.42Å; W22-Y127 HydrophobicContact CZ3-CG 4.24Å; W22-F129 HydrophobicContact CE3-CE1 4.08Å; W22-F129 HydrophobicContact CE3-CZ 4.26Å
23	G	97.9	Very high	83.1	Confident	13 Å²	13	76 Å²	76	13%	0.134	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	156.6	175.5	0	0	0	0	0	110.9	H21 F44 D45 F129	H21-G23 PolarHBondContact O-N 2.96Å; H21-G23 VanDerWaalsContact O-N 3.16Å; G23-F44 CarbonylContact O-C 3.59Å; G23-F44 WeakPolarHBondContact O-CA 3.22Å; G23-D45 PolarHBondContact N-O 2.78Å; G23-D45 PolarHBondContact O-N 2.8Å; G23-F129 WeakPolarHBondContact O-CD1 3.38Å; G23-F129 VanDerWaalsContact O-CE1 3.26Å; G23-F129 WeakPolarHBondContact O-CE1 3.29Å
24	A	98.6	Very high	85.2	Confident	18 Å²	18	73.1 Å²	73.1	15%	0.149	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	159.1	170	0	0	0	0	0	111.2	M26 R43 F44 F129 E131	A24-M26 HydrophobicContact CB-CE 3.76Å; A24-R43 CarbonylContact C-O 3.55Å; A24-R43 VanDerWaalsContact CA-O 3.31Å; A24-R43 WeakPolarHBondContact CA-O 3.39Å; A24-R43 WeakPolarHBondContact CB-O 3.42Å; A24-F44 HydrophobicContact CB-CB 4.13Å; A24-F129 HydrophobicContact CB-CB 3.66Å; A24-F129 HydrophobicContact CB-CD1 3.87Å; A24-F129 HydrophobicContact CB-CD2 4Å; A24-F129 HydrophobicContact CB-CG 3.56Å; A24-E131 HydrophobicContact CB-CB 4.47Å; A24-E131 PolarHBondContact N-OE2 3.31Å; A24-E131 VanDerWaalsContact N-OE2 3.14Å; A24-E131 VanDerWaalsContact O-CG 3.3Å; A24-E131 WeakPolarHBondContact O-CG 3.44Å
25	W	98.6	Very high	87.2	Confident	155 Å²	155	68.9 Å²	68.9	59%	0.587	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.6	166.4	176.6	86.7	0	0	0	108.5	P41 C42 R43	W25-P41 HydrophobicContact CH2-CB 4.37Å; W25-P41 HydrophobicContact CH2-CG 4.24Å; W25-P41 HydrophobicContact CZ3-CB 4.02Å; W25-P41 HydrophobicContact CZ3-CG 4.28Å; W25-C42 WeakPolarHBondContact O-CA 3.31Å; W25-R43 HydrophobicContact CB-CB 4.5Å; W25-R43 PolarHBondContact N-O 2.91Å; W25-R43 PolarHBondContact O-N 3.39Å
26	M	98.6	Very high	89.4	Confident	16 Å²	16	65.9 Å²	65.9	8%	0.079	38%	0.375	C	S	.	.			trans	-155.5	155.3	171.4	61.1	-168.5	83.2	0	0	108.6	A24 S28 W59 F117 E131 H132 S133	A24-M26 HydrophobicContact CB-CE 3.76Å; M26-S28 PolarHBondContact O-N 2.86Å; M26-W59 HydrophobicContact SD-CH2 4.35Å; M26-F117 HydrophobicContact CE-CB 4.34Å; M26-E131 HydrophobicContact CE-CB 4.18Å; M26-E131 WeakPolarHBondContact CE-O 3.41Å; M26-E131 HydrophobicContact CG-CB 4.2Å; M26-E131 VanDerWaalsContact SD-C 3.6Å; M26-E131 VanDerWaalsContact SD-O 3.37Å; M26-H132 WeakPolarHBondContact SD-CA 3.33Å; M26-S133 PolarHBondContact SD-N 2.8Å
27	P	98.6	Very high	91.6	Very high	31 Å²	31	62.4 Å²	62.4	20%	0.201	35%	0.346	C	S	.	.			trans	-62.9	137.7	173.9	27	-34.1	0	0	0	109.5	T29 I30 P41 S133	P27-T29 PolarHBondContact O-N 2.9Å; P27-I30 HydrophobicContact CG-CB 4.33Å; P27-I30 HydrophobicContact CG-CD1 4.44Å; P27-P41 VanDerWaalsContact CD-O 3.31Å; P27-P41 WeakPolarHBondContact CD-O 3.47Å; P27-P41 HydrophobicContact CG-CG 4.11Å; P27-S133 VanDerWaalsContact O-CA 3.27Å; P27-S133 WeakPolarHBondContact O-CA 3.35Å; P27-S133 VanDerWaalsContact O-CB 3.22Å; P27-S133 WeakPolarHBondContact O-CB 3.11Å; P27-S133 PolarHBondContact O-OG 2.89Å
28	S	98.6	Very high	93.8	Very high	87 Å²	87	57.1 Å²	57.1	61%	0.608	31%	0.309	S	S	*	.	S	Bend	trans	-63.4	-34.5	176.7	51.6	0	0	0	0	112.1	M26 V134	M26-S28 PolarHBondContact O-N 2.86Å; S28-V134 PolarHBondContact O-N 3.15Å
29	T	98.7	Very high	95.7	Very high	97 Å²	97	47.1 Å²	47.1	60%	0.595	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.2	-179.5	52.3	0	0	0	0	108.7	P27 V134	P27-T29 PolarHBondContact O-N 2.9Å; T29-V134 WeakPolarHBondContact CA-O 3.09Å; T29-V134 HydrophobicContact CG2-CB 4.37Å
30	I	98.8	Very high	97.3	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.5	173.8	-169	169	0	0	0	108.2	P27 V38 I40 S133 V134 L135 D136 N164	P27-I30 HydrophobicContact CG-CB 4.33Å; P27-I30 HydrophobicContact CG-CD1 4.44Å; I30-V38 HydrophobicContact CD1-CG2 3.61Å; I30-V38 HydrophobicContact CG1-CG2 3.92Å; I30-V38 HydrophobicContact CG2-CG2 4.33Å; I30-I40 HydrophobicContact CG2-CG1 4.22Å; I30-S133 WeakPolarHBondContact CG2-OG 3.3Å; I30-V134 PolarHBondContact N-O 3.41Å; I30-L135 HydrophobicContact CG2-CD1 4.03Å; I30-L135 WeakPolarHBondContact O-CA 3.21Å; I30-D136 PolarHBondContact O-N 2.03Å; I30-N164 HydrophobicContact CD1-CB 4.17Å; I30-N164 HydrophobicContact CG1-CB 4.28Å
31	S	98.6	Very high	98.1	Very high	34 Å²	34	46.7 Å²	46.7	24%	0.238	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.2	-179.2	-50.7	0	0	0	0	111	D136 P162 N164	S31-D136 WeakPolarHBondContact CA-O 3.3Å; S31-D136 PolarHBondContact OG-OD2 3.34Å; S31-P162 WeakPolarHBondContact O-CB 3.43Å; S31-N164 PolarHBondContact O-ND2 3.11Å
32	A	98.4	Very high	98.4	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162	171.4	0	0	0	0	0	110.2	C37 V38 L107 D136 I137 V138	A32-C37 WeakPolarHBondContact CB-O 3.14Å; A32-V38 HydrophobicContact CB-CB 3.81Å; A32-V38 HydrophobicContact CB-CG2 4.2Å; A32-L107 HydrophobicContact CB-CD1 3.6Å; A32-D136 PolarHBondContact N-O 2.64Å; A32-D136 VanDerWaalsContact N-O 3.13Å; A32-I137 WeakPolarHBondContact O-CA 3.5Å; A32-V138 PolarHBondContact O-N 3.32Å
33	F	98.2	Very high	98.5	Very high	46 Å²	46	43.2 Å²	43.2	20%	0.202	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	146	-179.1	-88.7	-91.5	0	0	0	112.4	T36 V138 V161 P162	F33-T36 HydrophobicContact CB-CG2 3.71Å; F33-T36 PolarHBondContact N-OG1 3Å; F33-T36 WeakPolarHBondContact O-CB 3.5Å; F33-T36 PolarHBondContact O-N 2.89Å; F33-T36 VanDerWaalsContact O-N 3.15Å; F33-T36 PolarHBondContact O-OG1 3.4Å; F33-V138 CarbonylContact C-O 3.58Å; F33-V138 VanDerWaalsContact CA-O 3.28Å; F33-V138 WeakPolarHBondContact CA-O 3.07Å; F33-V138 HydrophobicContact CD1-CG2 4.4Å; F33-V138 WeakPolarHBondContact CD1-O 3.39Å; F33-V138 HydrophobicContact CD2-CG2 4.16Å; F33-V138 HydrophobicContact CE1-CG2 4.44Å; F33-V138 HydrophobicContact CE2-CG2 4.19Å; F33-V138 HydrophobicContact CG-CG2 4.27Å; F33-V138 HydrophobicContact CZ-CG2 4.34Å; F33-V161 HydrophobicContact CD2-CG1 4.36Å; F33-V161 HydrophobicContact CE2-CB 4.45Å; F33-V161 HydrophobicContact CE2-CG1 3.76Å; F33-V161 HydrophobicContact CE2-CG2 4.31Å; F33-P162 HydrophobicContact CD2-CG 4.17Å; F33-P162 HydrophobicContact CE2-CG 4.14Å
34	E	98.4	Very high	98.5	Very high	94 Å²	94	42.9 Å²	42.9	44%	0.439	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	140.5	166.9	-172.9	175.9	178.2	0	0	110.9	T36 P109 I137 V138	E34-T36 PolarHBondContact O-N 2.88Å; E34-T36 VanDerWaalsContact O-N 3.17Å; E34-P109 WeakPolarHBondContact OE1-CD 3.44Å; E34-I137 HydrophobicContact CB-CG2 3.98Å; E34-V138 PolarHBondContact N-O 3.12Å
35	G	97.5	Very high	98.5	Very high	54 Å²	54	44 Å²	44	56%	0.557	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	-15.6	-177.1	0	0	0	0	0	115.1	L107	G35-L107 WeakPolarHBondContact CA-O 3.44Å; G35-L107 PolarHBondContact N-O 2.95Å
36	T	97.9	Very high	98.4	Very high	41 Å²	41	37.3 Å²	37.3	25%	0.252	22%	0.218	S	C	.	.	S	Bend	trans	-88.6	-155.9	178.7	72.6	0	0	0	0	111.8	F33 E34 T106 L107	F33-T36 HydrophobicContact CB-CG2 3.71Å; F33-T36 PolarHBondContact N-OG1 3Å; F33-T36 WeakPolarHBondContact O-CB 3.5Å; F33-T36 PolarHBondContact O-N 2.89Å; F33-T36 VanDerWaalsContact O-N 3.15Å; F33-T36 PolarHBondContact O-OG1 3.4Å; E34-T36 PolarHBondContact O-N 2.88Å; E34-T36 VanDerWaalsContact O-N 3.17Å; T36-T106 PolarHBondContact O-N 3.13Å; T36-L107 PolarHBondContact O-N 3.01Å
37	C	98.5	Very high	98.3	Very high	5 Å²	5	38 Å²	38	3%	0.034	22%	0.223	C	C	.	.			trans	-124.6	168.5	175.7	82	0	0	0	0	111.7	A32 L103 L104 C165	A32-C37 WeakPolarHBondContact CB-O 3.14Å; C37-L103 HydrophobicContact CB-CD1 4.42Å; C37-L104 CarbonylContact C-O 3.6Å; C37-L104 WeakPolarHBondContact CA-O 3.4Å; C37-L104 VanDerWaalsContact CB-O 3.25Å; C37-L104 WeakPolarHBondContact CB-O 3.43Å; C37-C165 VanDerWaalsContact CA-SG 3.57Å; C37-C165 HydrophobicContact CB-CB 4.22Å; C37-C165 WeakPolarHBondContact CB-SG 3.44Å; C37-C165 PolarHBondContact N-SG 3.2Å; C37-C165 WeakPolarHBondContact O-CB 3.47Å; C37-C165 WeakPolarHBondContact SG-CA 3.27Å; C37-C165 WeakPolarHBondContact SG-CB 3.27Å; C37-C165 CovalentContact SG-SG 2.03Å; C37-C165 PolarHBondContact SG-SG 3.14Å
38	V	98.7	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134	170.4	63.2	0	0	0	0	109.8	I30 A32 I40 L103 L104 L107 L135 N164	I30-V38 HydrophobicContact CD1-CG2 3.61Å; I30-V38 HydrophobicContact CG1-CG2 3.92Å; I30-V38 HydrophobicContact CG2-CG2 4.33Å; A32-V38 HydrophobicContact CB-CB 3.81Å; A32-V38 HydrophobicContact CB-CG2 4.2Å; V38-I40 HydrophobicContact CG1-CG1 4.41Å; V38-I40 HydrophobicContact CG2-CG1 4.28Å; V38-L103 WeakPolarHBondContact O-CA 3.37Å; V38-L104 HydrophobicContact CG1-CB 3.89Å; V38-L104 HydrophobicContact CG1-CD1 4.24Å; V38-L104 HydrophobicContact CG1-CG 4.44Å; V38-L104 PolarHBondContact N-O 3.2Å; V38-L104 PolarHBondContact O-N 2.87Å; V38-L107 HydrophobicContact CB-CD1 4.12Å; V38-L107 HydrophobicContact CG1-CD1 4.01Å; V38-L107 HydrophobicContact CG1-CD2 4.16Å; V38-L135 HydrophobicContact CB-CD1 4.24Å; V38-L135 HydrophobicContact CG1-CD1 3.85Å; V38-L135 HydrophobicContact CG1-CD2 4.01Å; V38-L135 HydrophobicContact CG2-CD1 4.08Å; V38-N164 WeakPolarHBondContact CA-O 3.42Å; V38-N164 HydrophobicContact CG2-CB 4.19Å
39	S	98.7	Very high	97.9	Very high	27 Å²	27	44.2 Å²	44.2	19%	0.189	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	105.2	168.1	171.5	0	0	0	0	108.9	P41 T101 L102 N164	S39-P41 WeakPolarHBondContact O-CD 3.28Å; S39-T101 WeakPolarHBondContact OG-CG2 3.46Å; S39-L102 CarbonylContact C-O 3.4Å; S39-L102 WeakPolarHBondContact CA-O 3.41Å; S39-N164 PolarHBondContact N-O 2.88Å
40	I	98.8	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	104	175.7	-51.6	-176.9	0	0	0	108.4	I30 V38 C42 W59 T101 L102 Y115	I30-I40 HydrophobicContact CG2-CG1 4.22Å; V38-I40 HydrophobicContact CG1-CG1 4.41Å; V38-I40 HydrophobicContact CG2-CG1 4.28Å; I40-C42 PolarHBondContact O-N 3.49Å; I40-W59 HydrophobicContact CG2-CH2 4.23Å; I40-T101 WeakPolarHBondContact O-CA 3.34Å; I40-T101 WeakPolarHBondContact O-CG2 2.98Å; I40-L102 HydrophobicContact CD1-CD2 4.46Å; I40-L102 PolarHBondContact N-O 3.22Å; I40-L102 PolarHBondContact O-N 3.48Å; I40-L102 VanDerWaalsContact O-N 3.14Å; I40-Y115 HydrophobicContact CD1-CD1 4.45Å; I40-Y115 HydrophobicContact CD1-CD2 4.41Å; I40-Y115 HydrophobicContact CD1-CG 4.14Å
41	P	98.7	Very high	97.3	Very high	45 Å²	45	52 Å²	52	29%	0.292	26%	0.264	S	S	.	.			trans	-69.6	134.8	-179	31.7	-34.4	0	0	0	109.8	W25 P27 S39	W25-P41 HydrophobicContact CH2-CB 4.37Å; W25-P41 HydrophobicContact CH2-CG 4.24Å; W25-P41 HydrophobicContact CZ3-CB 4.02Å; W25-P41 HydrophobicContact CZ3-CG 4.28Å; P27-P41 VanDerWaalsContact CD-O 3.31Å; P27-P41 WeakPolarHBondContact CD-O 3.47Å; P27-P41 HydrophobicContact CG-CG 4.11Å; S39-P41 WeakPolarHBondContact O-CD 3.28Å
42	C	98.8	Very high	97.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.263	C	S	.	.			trans	-147.9	131.5	-172.9	179.4	0	0	0	0	111.7	W25 I40 W59 N99 C100 T101	W25-C42 WeakPolarHBondContact O-CA 3.31Å; I40-C42 PolarHBondContact O-N 3.49Å; C42-W59 HydrophobicContact CB-CH2 4.31Å; C42-W59 HydrophobicContact CB-CZ2 3.87Å; C42-N99 PolarHBondContact O-OD1 3.08Å; C42-C100 HydrophobicContact CB-CB 3.88Å; C42-C100 WeakPolarHBondContact CB-SG 3.46Å; C42-C100 PolarHBondContact O-N 3.38Å; C42-C100 PolarHBondContact O-SG 2.91Å; C42-C100 VanDerWaalsContact O-SG 3.4Å; C42-C100 WeakPolarHBondContact SG-CB 3.2Å; C42-C100 CovalentContact SG-SG 2.03Å; C42-C100 PolarHBondContact SG-SG 2.75Å; C42-T101 PolarHBondContact N-OG1 3.13Å
43	R	98.7	Very high	96.9	Very high	130 Å²	130	57 Å²	57	49%	0.491	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.6	168.8	-69.8	-65	-170.5	145.3	0.7	109.4	A24 W25 L97 R98	A24-R43 CarbonylContact C-O 3.55Å; A24-R43 VanDerWaalsContact CA-O 3.31Å; A24-R43 WeakPolarHBondContact CA-O 3.39Å; A24-R43 WeakPolarHBondContact CB-O 3.42Å; W25-R43 HydrophobicContact CB-CB 4.5Å; W25-R43 PolarHBondContact N-O 2.91Å; W25-R43 PolarHBondContact O-N 3.39Å; R43-L97 PolarHBondContact NH1-O 2.8Å; R43-R98 WeakPolarHBondContact CA-O 3.43Å; R43-R98 WeakPolarHBondContact CD-O 3.39Å
44	F	98.5	Very high	96.9	Very high	6 Å²	6	59 Å²	59	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159	177.8	69.8	-78.1	0	0	0	111.8	G23 A24 F46 V55 L95 R98 C100 F117 F129	G23-F44 CarbonylContact O-C 3.59Å; G23-F44 WeakPolarHBondContact O-CA 3.22Å; A24-F44 HydrophobicContact CB-CB 4.13Å; F44-F46 AromaticContact CD2-CD1 3.98Å; F44-F46 HydrophobicContact CD2-CD1 3.98Å; F44-F46 HydrophobicContact CD2-CE1 4.32Å; F44-F46 AromaticContact CE2-CD1 3.77Å; F44-F46 HydrophobicContact CE2-CD1 3.77Å; F44-F46 AromaticContact CE2-CE1 3.72Å; F44-F46 HydrophobicContact CE2-CE1 3.72Å; F44-V55 HydrophobicContact CE2-CG1 4.02Å; F44-V55 HydrophobicContact CZ-CG1 3.8Å; F44-L95 HydrophobicContact CE1-CD2 4.01Å; F44-L95 HydrophobicContact CZ-CB 4.36Å; F44-L95 HydrophobicContact CZ-CD2 4.37Å; F44-L95 VanDerWaalsContact CZ-O 3.31Å; F44-L95 WeakPolarHBondContact CZ-O 3.4Å; F44-R98 PolarHBondContact N-O 3.5Å; F44-R98 VanDerWaalsContact O-CB 3.27Å; F44-R98 WeakPolarHBondContact O-CB 3.24Å; F44-R98 WeakPolarHBondContact O-CD 3.49Å; F44-C100 HydrophobicContact CD1-CB 3.92Å; F44-C100 VanDerWaalsContact CD1-SG 3.51Å; F44-C100 HydrophobicContact CE1-CB 4.15Å; F44-F117 HydrophobicContact CB-CD1 4.4Å; F44-F117 HydrophobicContact CB-CE1 4.32Å; F44-F117 HydrophobicContact CD1-CD1 4.38Å; F44-F117 AromaticContact CD1-CE1 3.66Å; F44-F117 HydrophobicContact CD1-CE1 3.66Å; F44-F117 HydrophobicContact CD1-CZ 4.37Å; F44-F117 HydrophobicContact CD2-CE1 4.13Å; F44-F117 AromaticContact CE1-CE1 3.87Å; F44-F117 HydrophobicContact CE1-CE1 3.87Å; F44-F117 HydrophobicContact CE1-CZ 4.17Å; F44-F117 HydrophobicContact CE2-CE1 4.32Å; F44-F117 HydrophobicContact CG-CD1 4.34Å; F44-F117 AromaticContact CG-CE1 3.78Å; F44-F117 HydrophobicContact CG-CE1 3.78Å; F44-F117 HydrophobicContact CZ-CE1 4.19Å; F44-F117 HydrophobicContact CZ-CZ 4.44Å; F44-F129 HydrophobicContact CB-CD2 4.44Å; F44-F129 HydrophobicContact CB-CE1 4.31Å; F44-F129 HydrophobicContact CB-CE2 3.8Å; F44-F129 HydrophobicContact CB-CZ 3.72Å; F44-F129 HydrophobicContact CD2-CE2 4.06Å; F44-F129 AromaticContact CD2-CZ 3.77Å; F44-F129 HydrophobicContact CD2-CZ 3.77Å; F44-F129 HydrophobicContact CG-CE2 4.17Å; F44-F129 HydrophobicContact CG-CZ 4.15Å
45	D	98.1	Very high	96.8	Very high	43 Å²	43	55.5 Å²	55.5	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.7	-178.2	-160	31.1	0	0	0	110.7	G20 H21 G23 R98 F129	G20-D45 VanDerWaalsContact CA-OD2 3.24Å; G20-D45 WeakPolarHBondContact CA-OD2 3.46Å; H21-D45 PolarHBondContact N-OD2 2.68Å; H21-D45 CarbonylContact O-C 3.48Å; H21-D45 WeakPolarHBondContact O-CB 3.27Å; G23-D45 PolarHBondContact N-O 2.78Å; G23-D45 PolarHBondContact O-N 2.8Å; D45-R98 IonicContact OD1-CZ 3.78Å; D45-R98 VanDerWaalsContact OD1-CZ 3.26Å; D45-R98 IonicContact OD1-NE 3.26Å; D45-R98 IonicContact OD1-NH1 2.81Å; D45-R98 PolarHBondContact OD1-NH1 3.1Å; D45-R98 IonicContact OD1-NH2 3.87Å; D45-F129 WeakPolarHBondContact O-CE1 3.46Å
46	F	97.1	Very high	96.9	Very high	13 Å²	13	55 Å²	55	6%	0.057	29%	0.289	C	S	.	.			trans	-158.5	158.5	-179.8	53.7	-100.6	0	0	0	109.7	H21 W22 F44 D48 P52 V55 R98 L121	H21-F46 PolarHBondContact O-N 2.9Å; W22-F46 HydrophobicContact CD2-CB 4.31Å; W22-F46 HydrophobicContact CE3-CB 3.85Å; W22-F46 HydrophobicContact CH2-CB 4.16Å; W22-F46 HydrophobicContact CZ3-CB 3.76Å; F44-F46 AromaticContact CD2-CD1 3.98Å; F44-F46 HydrophobicContact CD2-CD1 3.98Å; F44-F46 HydrophobicContact CD2-CE1 4.32Å; F44-F46 AromaticContact CE2-CD1 3.77Å; F44-F46 HydrophobicContact CE2-CD1 3.77Å; F44-F46 AromaticContact CE2-CE1 3.72Å; F44-F46 HydrophobicContact CE2-CE1 3.72Å; F46-D48 PolarHBondContact O-N 3.02Å; F46-P52 HydrophobicContact CE2-CG 4.26Å; F46-P52 HydrophobicContact CZ-CG 4.32Å; F46-V55 HydrophobicContact CZ-CG2 4.28Å; F46-R98 HydrophobicContact CE1-CG 4.46Å; F46-R98 PolarHBondContact O-NH1 3.22Å; F46-L121 HydrophobicContact CB-CD2 3.94Å; F46-L121 HydrophobicContact CD1-CD1 4.42Å; F46-L121 HydrophobicContact CD1-CD2 3.76Å; F46-L121 HydrophobicContact CD2-CD2 3.32Å; F46-L121 HydrophobicContact CE1-CD2 4.01Å; F46-L121 HydrophobicContact CE2-CD2 3.6Å; F46-L121 HydrophobicContact CG-CD2 3.4Å; F46-L121 HydrophobicContact CZ-CD2 3.94Å
47	P	96.3	Very high	96.9	Very high	31 Å²	31	53.1 Å²	53.1	20%	0.201	28%	0.277	C	S	.	.			trans	-53.8	123.4	179.9	-26.1	34.8	0	0	0	113.9	G20 E49 L50	G20-P47 VanDerWaalsContact O-CA 3.23Å; G20-P47 WeakPolarHBondContact O-CA 3.47Å; P47-E49 PolarHBondContact O-N 2.79Å; P47-E49 VanDerWaalsContact O-N 3.08Å; P47-L50 HydrophobicContact CB-CD1 4.44Å; P47-L50 HydrophobicContact CB-CG 4.29Å; P47-L50 WeakPolarHBondContact O-CB 3.2Å; P47-L50 WeakPolarHBondContact O-CG 3.37Å; P47-L50 PolarHBondContact O-N 2.8Å; P47-L50 VanDerWaalsContact O-N 3.08Å
48	D	94	Very high	96.9	Very high	71 Å²	71	53.5 Å²	53.5	38%	0.38	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	-177.1	-64.1	-44.1	0	0	0	113.5	G20 F46 L50 R51 R98	G20-D48 PolarHBondContact N-OD2 3.17Å; F46-D48 PolarHBondContact O-N 3.02Å; D48-L50 PolarHBondContact O-N 2.99Å; D48-R51 WeakPolarHBondContact O-CG 3.25Å; D48-R98 IonicContact OD1-CZ 3.01Å; D48-R98 IonicContact OD1-NH2 3.37Å; D48-R98 PolarHBondContact OD1-NH2 3.15Å
49	E	93.5	Very high	96.9	Very high	178 Å²	178	53.5 Å²	53.5	83%	0.832	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.3	174.9	-63.5	174.4	-174	0	0	112.5	P47	P47-E49 PolarHBondContact O-N 2.79Å; P47-E49 VanDerWaalsContact O-N 3.08Å
50	L	93.6	Very high	96.9	Very high	57 Å²	57	53.3 Å²	53.3	30%	0.298	27%	0.274	S	S	.	.	S	Bend	trans	-71.9	-31.6	-173.9	-64.1	179.4	0	0	0	113.8	W22 P47 D48 P52 L121 N125	W22-L50 HydrophobicContact CH2-CD1 4.09Å; W22-L50 HydrophobicContact CZ2-CD1 3.68Å; P47-L50 HydrophobicContact CB-CD1 4.44Å; P47-L50 HydrophobicContact CB-CG 4.29Å; P47-L50 WeakPolarHBondContact O-CB 3.2Å; P47-L50 WeakPolarHBondContact O-CG 3.37Å; P47-L50 PolarHBondContact O-N 2.8Å; P47-L50 VanDerWaalsContact O-N 3.08Å; D48-L50 PolarHBondContact O-N 2.99Å; L50-P52 VanDerWaalsContact O-N 3.16Å; L50-L121 HydrophobicContact CB-CD2 4.45Å; L50-L121 HydrophobicContact CD1-CD2 3.92Å; L50-N125 HydrophobicContact CD1-CB 4.22Å
51	R	91.9	Very high	96.9	Very high	214 Å²	214	54.2 Å²	54.2	81%	0.808	28%	0.279	S	S	*	.			trans	35.3	58	176.9	-56.2	-175	-177.6	177.6	0.6	114.7	D48	D48-R51 WeakPolarHBondContact O-CG 3.25Å
52	P	95	Very high	96.9	Very high	32 Å²	32	56.2 Å²	56.2	21%	0.208	29%	0.287	C	S	.	.			trans	-66.8	143.7	-179.1	31	-37.5	0	0	0	111.3	F46 L50 V55 L121	F46-P52 HydrophobicContact CE2-CG 4.26Å; F46-P52 HydrophobicContact CZ-CG 4.32Å; L50-P52 VanDerWaalsContact O-N 3.16Å; P52-V55 HydrophobicContact CG-CG2 3.77Å; P52-L121 HydrophobicContact CB-CB 4.13Å; P52-L121 HydrophobicContact CB-CG 4.49Å; P52-L121 HydrophobicContact CG-CB 4.21Å; P52-L121 HydrophobicContact CG-CD2 3.9Å; P52-L121 HydrophobicContact CG-CG 4.05Å
53	A	95	Very high	96.9	Very high	109 Å²	109	57.3 Å²	57.3	90%	0.901	30%	0.295	S	S	*	.	S	Bend	trans	-69.9	-34.4	174.8	0	0	0	0	0	112.5
54	V	96.4	Very high	96.9	Very high	89 Å²	89	52.5 Å²	52.5	54%	0.539	28%	0.28	S	S	.	.	S	Bend	trans	-137.6	135.1	177.8	-177.8	0	0	0	0	108.3
55	V	98	Very high	96.7	Very high	19 Å²	19	58.8 Å²	58.8	12%	0.115	31%	0.305	C	S	.	.			trans	-103.3	121.5	175.6	-174	0	0	0	0	108.9	F44 F46 P52 L95	F44-V55 HydrophobicContact CE2-CG1 4.02Å; F44-V55 HydrophobicContact CZ-CG1 3.8Å; F46-V55 HydrophobicContact CZ-CG2 4.28Å; P52-V55 HydrophobicContact CG-CG2 3.77Å; V55-L95 HydrophobicContact CB-CB 4.17Å; V55-L95 HydrophobicContact CG1-CB 4.06Å
56	H	98.4	Very high	96.5	Very high	45 Å²	45	59.5 Å²	59.5	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	163.2	173.6	-67.5	-64.6	0	0	0	110.7	S76 R77 D120	H56-S76 WeakPolarHBondContact CA-OG 3.09Å; H56-S76 VanDerWaalsContact CB-OG 3.31Å; H56-S76 WeakPolarHBondContact CB-OG 3.42Å; H56-S76 PolarHBondContact ND1-OG 2.81Å; H56-R77 HydrophobicContact CB-CG 4.43Å; H56-R77 PolarHBondContact CD2-NE 2.03Å; H56-R77 VanDerWaalsContact CD2-NE 3.35Å; H56-R77 PolarHBondContact CD2-NH2 3.06Å; H56-R77 WeakPolarHBondContact ND1-CG 3.33Å; H56-D120 WeakPolarHBondContact CA-O 3.46Å; H56-D120 HydrophobicContact CB-CB 3.95Å; H56-D120 WeakPolarHBondContact CB-O 3.47Å; H56-D120 PolarHBondContact N-O 3.39Å; H56-D120 PolarHBondContact O-N 2.87Å
57	G	98.1	Very high	96.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159	179.2	0	0	0	0	0	113.1	S76 L95 R118	G57-S76 PolarHBondContact N-OG 3.34Å; G57-S76 PolarHBondContact O-N 3.18Å; G57-S76 PolarHBondContact O-OG 2.59Å; G57-S76 VanDerWaalsContact O-OG 3.04Å; G57-L95 VanDerWaalsContact N-CD1 3.31Å; G57-R118 CarbonylContact C-O 3.54Å; G57-R118 VanDerWaalsContact CA-O 3.24Å; G57-R118 WeakPolarHBondContact CA-O 3.4Å
58	V	98.6	Very high	96.6	Very high	13 Å²	13	70.2 Å²	70.2	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.9	177	-169.8	0	0	0	0	108.8	Y60 V72 F74 K75 R118	V58-Y60 HydrophobicContact CG1-CD1 3.97Å; V58-Y60 HydrophobicContact CG1-CE1 3.65Å; V58-Y60 HydrophobicContact CG1-CE2 4.38Å; V58-Y60 HydrophobicContact CG1-CG 4.47Å; V58-V72 HydrophobicContact CG1-CG1 4.14Å; V58-F74 WeakPolarHBondContact CA-O 3.31Å; V58-F74 WeakPolarHBondContact CG1-O 3.14Å; V58-K75 HydrophobicContact CG2-CD 4.41Å; V58-K75 HydrophobicContact CG2-CG 4.1Å; V58-R118 HydrophobicContact CB-CB 4.45Å; V58-R118 PolarHBondContact N-O 2.83Å; V58-R118 PolarHBondContact O-N 3.13Å
59	W	98.8	Very high	96.7	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.3	165.2	-83	97.1	0	0	0	109.4	M26 I40 C42 V73 F74 C100 L102 Y116 F117	M26-W59 HydrophobicContact SD-CH2 4.35Å; I40-W59 HydrophobicContact CG2-CH2 4.23Å; C42-W59 HydrophobicContact CB-CH2 4.31Å; C42-W59 HydrophobicContact CB-CZ2 3.87Å; W59-V73 HydrophobicContact CB-CB 3.87Å; W59-V73 HydrophobicContact CB-CG1 4.39Å; W59-V73 PolarHBondContact O-N 3.07Å; W59-F74 HydrophobicContact CB-CB 4.26Å; W59-F74 PolarHBondContact N-O 2.9Å; W59-C100 WeakPolarHBondContact CZ2-O 3.31Å; W59-C100 PolarHBondContact NE1-O 3.11Å; W59-L102 HydrophobicContact CB-CD2 4.29Å; W59-L102 HydrophobicContact CD2-CB 4.27Å; W59-L102 HydrophobicContact CD2-CD2 3.78Å; W59-L102 HydrophobicContact CE3-CD2 4.11Å; W59-L102 HydrophobicContact CG-CD1 4.3Å; W59-L102 HydrophobicContact CG-CD2 3.89Å; W59-L102 HydrophobicContact CG-CG 4.48Å; W59-L102 HydrophobicContact CZ2-CB 3.95Å; W59-Y116 CarbonylContact C-O 3.59Å; W59-Y116 WeakPolarHBondContact CA-O 3.29Å; W59-F117 AromaticContact CD1-CD2 3.78Å; W59-F117 HydrophobicContact CD2-CB 4.21Å; W59-F117 HydrophobicContact CD2-CD2 4.1Å; W59-F117 AromaticContact CE2-CD2 3.78Å; W59-F117 HydrophobicContact CE3-CB 4.27Å; W59-F117 HydrophobicContact CG-CD2 4.12Å; W59-F117 HydrophobicContact CH2-CB 4.18Å; W59-F117 HydrophobicContact CZ2-CB 4.11Å; W59-F117 HydrophobicContact CZ2-CD2 4.4Å; W59-F117 HydrophobicContact CZ3-CB 4.24Å; W59-F117 AromaticContact NE1-CD2 3.53Å
60	Y	98.9	Very high	96.9	Very high	23 Å²	23	68.7 Å²	68.7	9%	0.09	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.1	176.4	-71.5	-48.4	0	0	0	111.6	V58 S63 P70 V72 Y115 Y116 R118	V58-Y60 HydrophobicContact CG1-CD1 3.97Å; V58-Y60 HydrophobicContact CG1-CE1 3.65Å; V58-Y60 HydrophobicContact CG1-CE2 4.38Å; V58-Y60 HydrophobicContact CG1-CG 4.47Å; Y60-S63 WeakPolarHBondContact CB-O 3.48Å; Y60-P70 HydrophobicContact CD1-CB 3.88Å; Y60-P70 HydrophobicContact CD1-CG 3.35Å; Y60-P70 HydrophobicContact CD2-CG 4.1Å; Y60-P70 HydrophobicContact CE1-CG 3.66Å; Y60-P70 HydrophobicContact CE2-CG 4.37Å; Y60-P70 HydrophobicContact CG-CB 4.09Å; Y60-P70 HydrophobicContact CG-CG 3.59Å; Y60-V72 HydrophobicContact CD1-CG2 4.34Å; Y60-V72 HydrophobicContact CE1-CG2 3.96Å; Y60-Y115 WeakPolarHBondContact O-CA 3.28Å; Y60-Y116 PolarHBondContact N-O 3.49Å; Y60-Y116 PolarHBondContact O-N 2.9Å; Y60-R118 HydrophobicContact CD2-CB 4.41Å; Y60-R118 HydrophobicContact CE2-CB 4.24Å
61	F	98.9	Very high	97.2	Very high	20 Å²	20	67.6 Å²	67.6	9%	0.088	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.3	174.4	-175.2	-123.2	0	0	0	111.4	S63 P71 V73 F85 G112 K114 Y115	F61-S63 PolarHBondContact O-N 2.68Å; F61-P71 HydrophobicContact CB-CB 4.13Å; F61-P71 HydrophobicContact CD1-CB 4.45Å; F61-P71 HydrophobicContact CD1-CG 4.26Å; F61-P71 PolarHBondContact N-O 3.25Å; F61-P71 VanDerWaalsContact N-O 3.07Å; F61-V73 HydrophobicContact CB-CG2 3.77Å; F61-F85 HydrophobicContact CB-CE2 4.03Å; F61-F85 HydrophobicContact CB-CZ 3.93Å; F61-F85 HydrophobicContact CD1-CE2 4.14Å; F61-F85 HydrophobicContact CD1-CZ 4Å; F61-F85 AromaticContact CD2-CZ 4Å; F61-F85 HydrophobicContact CD2-CZ 4Å; F61-F85 HydrophobicContact CE1-CZ 4.47Å; F61-F85 HydrophobicContact CE2-CZ 4.48Å; F61-F85 HydrophobicContact CG-CE2 4.11Å; F61-F85 AromaticContact CG-CZ 3.73Å; F61-F85 HydrophobicContact CG-CZ 3.73Å; F61-G112 WeakPolarHBondContact CZ-O 3.49Å; F61-K114 CarbonylContact C-O 3.54Å; F61-Y115 HydrophobicContact CD2-CD1 4.44Å; F61-Y115 HydrophobicContact CD2-CD2 4.32Å; F61-Y115 AromaticContact CD2-CE1 3.97Å; F61-Y115 HydrophobicContact CD2-CE1 3.97Å; F61-Y115 AromaticContact CD2-CE2 3.81Å; F61-Y115 HydrophobicContact CD2-CE2 3.81Å; F61-Y115 AromaticContact CD2-CZ 3.64Å; F61-Y115 AromaticContact CE2-CE2 3.73Å; F61-Y115 HydrophobicContact CE2-CE2 3.73Å; F61-Y115 AromaticContact CE2-CZ 3.78Å
62	N	98.7	Very high	97.5	Very high	86 Å²	86	59 Å²	59	46%	0.46	31%	0.311	S	S	.	.	S	Bend	trans	57.3	-11.3	174.4	-75.4	-22.3	0	0	0	118.4	K114	N62-K114 PolarHBondContact N-O 2.95Å; N62-K114 PolarHBondContact OD1-N 3.01Å
63	S	98.4	Very high	97.7	Very high	25 Å²	25	57.5 Å²	57.5	18%	0.175	30%	0.301	C	S	.	.			trans	-145.1	132	176.9	-171.8	0	0	0	0	111.7	Y60 F61 N68 P70	Y60-S63 WeakPolarHBondContact CB-O 3.48Å; F61-S63 PolarHBondContact O-N 2.68Å; S63-N68 VanDerWaalsContact OG-CB 3.27Å; S63-N68 WeakPolarHBondContact OG-CB 3.27Å; S63-N68 PolarHBondContact OG-ND2 3.14Å; S63-P70 WeakPolarHBondContact O-CB 3.37Å; S63-P70 WeakPolarHBondContact O-CG 3.42Å
64	P	97.8	Very high	97.8	Very high	28 Å²	28	54.1 Å²	54.1	18%	0.182	27%	0.266	C	S	.	.	S	Bend	trans	-79.3	-20.8	-172.7	27.5	-33.6	0	0	0	114.3	Y116 T128	P64-Y116 HydrophobicContact CB-CD1 3.7Å; P64-Y116 HydrophobicContact CB-CD2 4.37Å; P64-Y116 HydrophobicContact CB-CE1 3.98Å; P64-Y116 HydrophobicContact CB-CG 3.93Å; P64-Y116 HydrophobicContact CG-CE1 4.35Å; P64-T128 HydrophobicContact CB-CG2 3.64Å; P64-T128 WeakPolarHBondContact O-CB 3.4Å; P64-T128 WeakPolarHBondContact O-CG2 3.48Å; P64-T128 PolarHBondContact O-OG1 3.18Å
65	Y	94.7	Very high	97.9	Very high	139 Å²	139	53.9 Å²	53.9	55%	0.545	26%	0.258	S	S	.	.			trans	-110.8	134.3	-166.9	-60.2	-58.7	0	0	0	112.6	K67 N68 P70	Y65-K67 PolarHBondContact O-N 3.35Å; Y65-K67 VanDerWaalsContact O-N 3.15Å; Y65-N68 WeakPolarHBondContact O-CB 3.36Å; Y65-N68 PolarHBondContact O-N 3.1Å; Y65-P70 VanDerWaalsContact O-CD 3.27Å; Y65-P70 WeakPolarHBondContact O-CD 3.07Å
66	P	94.9	Very high	97.9	Very high	57 Å²	57	55 Å²	55	37%	0.37	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.6	-26.6	-178	23.6	-33.7	0	0	0	113.5	N68 Y69	P66-N68 PolarHBondContact O-N 3.05Å; P66-N68 VanDerWaalsContact O-N 3.14Å; P66-Y69 PolarHBondContact O-N 3.37Å
67	K	96.8	Very high	97.6	Very high	176 Å²	176	59.9 Å²	59.9	77%	0.765	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-58.4	-25.5	176.4	-174.1	178.2	178.1	-176.3	0	112.8	Y65 Y69	Y65-K67 PolarHBondContact O-N 3.35Å; Y65-K67 VanDerWaalsContact O-N 3.15Å; K67-Y69 VanDerWaalsContact C-N 3.29Å; K67-Y69 WeakPolarHBondContact O-CD2 3.43Å; K67-Y69 WeakPolarHBondContact O-CE2 3.37Å
68	N	97.3	Very high	97.4	Very high	93 Å²	93	62.6 Å²	62.6	50%	0.497	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-89.1	1.8	-179.4	-57.6	-22.1	0	0	0	112.4	S63 Y65 P66 P70	S63-N68 VanDerWaalsContact OG-CB 3.27Å; S63-N68 WeakPolarHBondContact OG-CB 3.27Å; S63-N68 PolarHBondContact OG-ND2 3.14Å; Y65-N68 WeakPolarHBondContact O-CB 3.36Å; Y65-N68 PolarHBondContact O-N 3.1Å; P66-N68 PolarHBondContact O-N 3.05Å; P66-N68 VanDerWaalsContact O-N 3.14Å; N68-P70 VanDerWaalsContact C-CD 3.45Å
69	Y	97.1	Very high	97	Very high	207 Å²	207	70.4 Å²	70.4	81%	0.812	34%	0.335	S	S	*	.			trans	47	50.8	-175.5	-55.7	-84.4	0	0	0	113.8	P66 K67	P66-Y69 PolarHBondContact O-N 3.37Å; K67-Y69 VanDerWaalsContact C-N 3.29Å; K67-Y69 WeakPolarHBondContact O-CD2 3.43Å; K67-Y69 WeakPolarHBondContact O-CE2 3.37Å
70	P	98.2	Very high	96.7	Very high	11 Å²	11	75.5 Å²	75.5	7%	0.071	37%	0.366	C	S	.	.			trans	-57.5	148.2	176.1	20.8	-31.3	0	0	0	111.9	Y60 S63 Y65 N68 V72	Y60-P70 HydrophobicContact CD1-CB 3.88Å; Y60-P70 HydrophobicContact CD1-CG 3.35Å; Y60-P70 HydrophobicContact CD2-CG 4.1Å; Y60-P70 HydrophobicContact CE1-CG 3.66Å; Y60-P70 HydrophobicContact CE2-CG 4.37Å; Y60-P70 HydrophobicContact CG-CB 4.09Å; Y60-P70 HydrophobicContact CG-CG 3.59Å; S63-P70 WeakPolarHBondContact O-CB 3.37Å; S63-P70 WeakPolarHBondContact O-CG 3.42Å; Y65-P70 VanDerWaalsContact O-CD 3.27Å; Y65-P70 WeakPolarHBondContact O-CD 3.07Å; N68-P70 VanDerWaalsContact C-CD 3.45Å; P70-V72 PolarHBondContact O-N 3.49Å
71	P	98.6	Very high	96.7	Very high	33 Å²	33	75.5 Å²	75.5	21%	0.214	37%	0.368	C	S	.	.			trans	-52.3	126.7	166	-25.8	35.4	0	0	0	110.6	F61 V73 H82 F85	F61-P71 HydrophobicContact CB-CB 4.13Å; F61-P71 HydrophobicContact CD1-CB 4.45Å; F61-P71 HydrophobicContact CD1-CG 4.26Å; F61-P71 PolarHBondContact N-O 3.25Å; F61-P71 VanDerWaalsContact N-O 3.07Å; P71-V73 PolarHBondContact O-N 2.79Å; P71-H82 HydrophobicContact CB-CB 3.81Å; P71-F85 HydrophobicContact CB-CE2 4.12Å
72	V	98.7	Very high	96.7	Very high	34 Å²	34	77.9 Å²	77.9	21%	0.206	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.9	175.6	176.2	0	0	0	0	107.7	V58 Y60 P70 K75 V81 H82	V58-V72 HydrophobicContact CG1-CG1 4.14Å; Y60-V72 HydrophobicContact CD1-CG2 4.34Å; Y60-V72 HydrophobicContact CE1-CG2 3.96Å; P70-V72 PolarHBondContact O-N 3.49Å; V72-K75 HydrophobicContact CG1-CB 3.91Å; V72-V81 HydrophobicContact CG1-CG1 4.47Å; V72-V81 WeakPolarHBondContact O-CB 3.36Å; V72-H82 PolarHBondContact O-N 3.19Å
73	V	98.8	Very high	96.6	Very high	0 Å²	0	81.6 Å²	81.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-45.3	177.1	-179.5	0	0	0	0	110	W59 F61 P71 V81 F85 S89 L102 L104 Y115	W59-V73 HydrophobicContact CB-CB 3.87Å; W59-V73 HydrophobicContact CB-CG1 4.39Å; W59-V73 PolarHBondContact O-N 3.07Å; F61-V73 HydrophobicContact CB-CG2 3.77Å; P71-V73 PolarHBondContact O-N 2.79Å; V73-V81 WeakPolarHBondContact O-CG1 3.46Å; V73-F85 HydrophobicContact CB-CD1 4.22Å; V73-F85 HydrophobicContact CB-CE1 4.41Å; V73-F85 HydrophobicContact CB-CG 4.3Å; V73-F85 HydrophobicContact CG1-CD1 3.65Å; V73-F85 HydrophobicContact CG1-CE1 3.97Å; V73-F85 HydrophobicContact CG1-CG 4.11Å; V73-F85 HydrophobicContact CG2-CD1 4.07Å; V73-F85 HydrophobicContact CG2-CD2 4.14Å; V73-F85 HydrophobicContact CG2-CE1 3.8Å; V73-F85 HydrophobicContact CG2-CE2 3.89Å; V73-F85 HydrophobicContact CG2-CG 4.23Å; V73-F85 HydrophobicContact CG2-CZ 3.72Å; V73-S89 VanDerWaalsContact O-CB 3.22Å; V73-S89 WeakPolarHBondContact O-CB 3.28Å; V73-S89 PolarHBondContact O-OG 2.8Å; V73-L102 HydrophobicContact CG1-CD1 4.36Å; V73-L102 HydrophobicContact CG1-CD2 3.85Å; V73-L104 HydrophobicContact CG1-CD2 3.69Å; V73-Y115 HydrophobicContact CG1-CE1 4.24Å; V73-Y115 HydrophobicContact CG2-CD1 4.12Å; V73-Y115 HydrophobicContact CG2-CE1 3.91Å
74	F	98.6	Very high	96.6	Very high	39 Å²	39	82.3 Å²	82.3	17%	0.171	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147.4	177.4	169.2	-92.4	0	0	0	109.6	V58 W59 L91 L102	V58-F74 WeakPolarHBondContact CA-O 3.31Å; V58-F74 WeakPolarHBondContact CG1-O 3.14Å; W59-F74 HydrophobicContact CB-CB 4.26Å; W59-F74 PolarHBondContact N-O 2.9Å; F74-L91 HydrophobicContact CD1-CB 4.27Å; F74-L91 HydrophobicContact CD1-CD1 4.32Å; F74-L91 HydrophobicContact CD2-CB 4.23Å; F74-L91 HydrophobicContact CE1-CB 3.82Å; F74-L91 HydrophobicContact CE1-CD1 4.19Å; F74-L91 HydrophobicContact CE1-CD2 3.85Å; F74-L91 HydrophobicContact CE1-CG 4.18Å; F74-L91 HydrophobicContact CE2-CB 3.77Å; F74-L91 HydrophobicContact CG-CB 4.46Å; F74-L91 HydrophobicContact CZ-CB 3.54Å; F74-L91 HydrophobicContact CZ-CD2 3.99Å; F74-L91 HydrophobicContact CZ-CG 4.29Å; F74-L102 HydrophobicContact CB-CD1 4.18Å
75	K	97.9	Very high	96.6	Very high	84 Å²	84	81 Å²	81	37%	0.365	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	118.7	173.2	-175.7	162.4	-177.7	-176.9	0	110.7	V58 V72 R77 T78	V58-K75 HydrophobicContact CG2-CD 4.41Å; V58-K75 HydrophobicContact CG2-CG 4.1Å; V72-K75 HydrophobicContact CG1-CB 3.91Å; K75-R77 PolarHBondContact O-N 3.33Å; K75-T78 HydrophobicContact CB-CG2 4.1Å; K75-T78 HydrophobicContact CD-CG2 3.74Å; K75-T78 HydrophobicContact CG-CG2 3.88Å; K75-T78 PolarHBondContact O-N 2.76Å; K75-T78 VanDerWaalsContact O-N 3.16Å
76	S	97.3	Very high	96.8	Very high	43 Å²	43	79.9 Å²	79.9	30%	0.301	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.9	-176.1	53.7	0	0	0	0	115.7	H56 G57	H56-S76 WeakPolarHBondContact CA-OG 3.09Å; H56-S76 VanDerWaalsContact CB-OG 3.31Å; H56-S76 WeakPolarHBondContact CB-OG 3.42Å; H56-S76 PolarHBondContact ND1-OG 2.81Å; G57-S76 PolarHBondContact N-OG 3.34Å; G57-S76 PolarHBondContact O-N 3.18Å; G57-S76 PolarHBondContact O-OG 2.59Å; G57-S76 VanDerWaalsContact O-OG 3.04Å
77	R	92.7	Very high	96.9	Very high	146 Å²	146	80.7 Å²	80.7	55%	0.551	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-12.4	-176.6	-60.9	-172.2	-170	-149	5	114.5	H56 K75 D120	H56-R77 HydrophobicContact CB-CG 4.43Å; H56-R77 PolarHBondContact CD2-NE 2.03Å; H56-R77 VanDerWaalsContact CD2-NE 3.35Å; H56-R77 PolarHBondContact CD2-NH2 3.06Å; H56-R77 WeakPolarHBondContact ND1-CG 3.33Å; K75-R77 PolarHBondContact O-N 3.33Å; R77-D120 IonicContact CZ-OD2 2.59Å; R77-D120 IonicContact NE-OD2 3.99Å; R77-D120 PolarHBondContact NE-OD2 3.4Å; R77-D120 IonicContact NH2-OD1 3.37Å; R77-D120 IonicContact NH2-OD2 3.57Å; R77-D120 PolarHBondContact NH2-OD2 2.82Å
78	T	92.9	Very high	96.9	Very high	57 Å²	57	75.7 Å²	75.7	35%	0.35	39%	0.386	S	S	.	.			trans	-157.4	149.2	-173.3	178.5	0	0	0	0	111.3	K75 V80	K75-T78 HydrophobicContact CB-CG2 4.1Å; K75-T78 HydrophobicContact CD-CG2 3.74Å; K75-T78 HydrophobicContact CG-CG2 3.88Å; K75-T78 PolarHBondContact O-N 2.76Å; K75-T78 VanDerWaalsContact O-N 3.16Å; T78-V80 HydrophobicContact CG2-CB 4.34Å; T78-V80 PolarHBondContact O-N 2.94Å; T78-V80 WeakPolarHBondContact OG1-CG2 3.24Å; T78-V80 PolarHBondContact OG1-N 2.82Å; T78-V80 VanDerWaalsContact OG1-N 3.11Å
79	Q	90.8	Very high	96.9	Very high	177 Å²	177	72.4 Å²	72.4	83%	0.827	37%	0.37	S	S	*	.	S	Bend	trans	-81.3	-3.6	173.2	-65.1	-179.7	-22.5	0	0	113	V81	Q79-V81 PolarHBondContact O-N 3.19Å
80	V	93.7	Very high	97	Very high	107 Å²	107	68.5 Å²	68.5	65%	0.648	35%	0.354	S	S	*	.			trans	-74.1	107.7	177.7	-178.6	0	0	0	0	109.4	T78	T78-V80 HydrophobicContact CG2-CB 4.34Å; T78-V80 PolarHBondContact O-N 2.94Å; T78-V80 WeakPolarHBondContact OG1-CG2 3.24Å; T78-V80 PolarHBondContact OG1-N 2.82Å; T78-V80 VanDerWaalsContact OG1-N 3.11Å
81	V	97.7	Very high	97	Very high	23 Å²	23	69.4 Å²	69.4	14%	0.139	36%	0.358	C	S	.	.			trans	-119.9	171	176.4	-63.4	0	0	0	0	109.8	V72 V73 Q79 Q86	V72-V81 HydrophobicContact CG1-CG1 4.47Å; V72-V81 WeakPolarHBondContact O-CB 3.36Å; V73-V81 WeakPolarHBondContact O-CG1 3.46Å; Q79-V81 PolarHBondContact O-N 3.19Å; V81-Q86 HydrophobicContact CG2-CB 4.27Å; V81-Q86 VanDerWaalsContact CG2-OE1 3.29Å
82	H	98.4	Very high	96.9	Very high	71 Å²	71	71 Å²	71	33%	0.329	37%	0.365	S	S	.	.			trans	-66.1	145.9	174.1	-173.2	-88	0	0	0	110.4	P71 V72 S84 F85 Q86	P71-H82 HydrophobicContact CB-CB 3.81Å; V72-H82 PolarHBondContact O-N 3.19Å; H82-S84 VanDerWaalsContact C-N 3.27Å; H82-S84 PolarHBondContact CE1-OG 3.47Å; H82-S84 VanDerWaalsContact CE1-OG 3.27Å; H82-S84 PolarHBondContact ND1-N 3.16Å; H82-S84 PolarHBondContact ND1-OG 3.14Å; H82-S84 VanDerWaalsContact ND1-OG 3.12Å; H82-S84 PolarHBondContact O-N 3.2Å; H82-S84 VanDerWaalsContact O-N 3.15Å; H82-F85 HydrophobicContact CB-CD2 4.22Å; H82-F85 PolarHBondContact O-N 3.49Å; H82-Q86 PolarHBondContact O-N 2.8Å
83	E	97.8	Very high	96.6	Very high	163 Å²	163	70 Å²	70	76%	0.762	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-53.7	-39.5	-172.9	61.7	-175.1	-179.2	0	0	113.7	F85 Q86	E83-F85 PolarHBondContact O-N 2.9Å; E83-F85 VanDerWaalsContact O-N 3.09Å; E83-Q86 WeakPolarHBondContact O-CB 3.5Å; E83-Q86 PolarHBondContact O-N 3.1Å; E83-Q86 VanDerWaalsContact O-N 3.15Å
84	S	98	Very high	96.6	Very high	40 Å²	40	74.6 Å²	74.6	28%	0.28	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60.1	-20.2	176.8	-41.7	0	0	0	0	114.4	H82 R88	H82-S84 VanDerWaalsContact C-N 3.27Å; H82-S84 PolarHBondContact CE1-OG 3.47Å; H82-S84 VanDerWaalsContact CE1-OG 3.27Å; H82-S84 PolarHBondContact ND1-N 3.16Å; H82-S84 PolarHBondContact ND1-OG 3.14Å; H82-S84 VanDerWaalsContact ND1-OG 3.12Å; H82-S84 PolarHBondContact O-N 3.2Å; H82-S84 VanDerWaalsContact O-N 3.15Å; S84-R88 PolarHBondContact O-NH1 2.75Å
85	F	98.4	Very high	96.6	Very high	1 Å²	1	73.2 Å²	73.2	0%	0.004	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-112.6	-3.3	-178.7	-62.7	-81.4	0	0	0	113	F61 P71 V73 H82 E83 G87 R88 S89 L104 L111 Y115	F61-F85 HydrophobicContact CB-CE2 4.03Å; F61-F85 HydrophobicContact CB-CZ 3.93Å; F61-F85 HydrophobicContact CD1-CE2 4.14Å; F61-F85 HydrophobicContact CD1-CZ 4Å; F61-F85 AromaticContact CD2-CZ 4Å; F61-F85 HydrophobicContact CD2-CZ 4Å; F61-F85 HydrophobicContact CE1-CZ 4.47Å; F61-F85 HydrophobicContact CE2-CZ 4.48Å; F61-F85 HydrophobicContact CG-CE2 4.11Å; F61-F85 AromaticContact CG-CZ 3.73Å; F61-F85 HydrophobicContact CG-CZ 3.73Å; P71-F85 HydrophobicContact CB-CE2 4.12Å; V73-F85 HydrophobicContact CB-CD1 4.22Å; V73-F85 HydrophobicContact CB-CE1 4.41Å; V73-F85 HydrophobicContact CB-CG 4.3Å; V73-F85 HydrophobicContact CG1-CD1 3.65Å; V73-F85 HydrophobicContact CG1-CE1 3.97Å; V73-F85 HydrophobicContact CG1-CG 4.11Å; V73-F85 HydrophobicContact CG2-CD1 4.07Å; V73-F85 HydrophobicContact CG2-CD2 4.14Å; V73-F85 HydrophobicContact CG2-CE1 3.8Å; V73-F85 HydrophobicContact CG2-CE2 3.89Å; V73-F85 HydrophobicContact CG2-CG 4.23Å; V73-F85 HydrophobicContact CG2-CZ 3.72Å; H82-F85 HydrophobicContact CB-CD2 4.22Å; H82-F85 PolarHBondContact O-N 3.49Å; E83-F85 PolarHBondContact O-N 2.9Å; E83-F85 VanDerWaalsContact O-N 3.09Å; F85-G87 PolarHBondContact O-N 3.12Å; F85-R88 PolarHBondContact O-N 2.86Å; F85-S89 PolarHBondContact O-N 2.9Å; F85-S89 PolarHBondContact O-OG 2.9Å; F85-L104 HydrophobicContact CD1-CD2 4.14Å; F85-L104 HydrophobicContact CE1-CD2 4.47Å; F85-L111 HydrophobicContact CD1-CD2 4.11Å; F85-L111 HydrophobicContact CE1-CD2 3.65Å; F85-L111 HydrophobicContact CE2-CD2 4.48Å; F85-L111 HydrophobicContact CZ-CD2 3.85Å; F85-Y115 AromaticContact CE1-CE1 3.93Å; F85-Y115 HydrophobicContact CE1-CE1 3.93Å; F85-Y115 WeakPolarHBondContact CE1-OH 3.26Å; F85-Y115 HydrophobicContact CZ-CE1 4.31Å
86	Q	97.8	Very high	96.5	Very high	115 Å²	115	71.4 Å²	71.4	54%	0.537	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	121.7	-178	-173.7	63.9	45.2	0	0	110.5	V81 H82 E83 R88	V81-Q86 HydrophobicContact CG2-CB 4.27Å; V81-Q86 VanDerWaalsContact CG2-OE1 3.29Å; H82-Q86 PolarHBondContact O-N 2.8Å; E83-Q86 WeakPolarHBondContact O-CB 3.5Å; E83-Q86 PolarHBondContact O-N 3.1Å; E83-Q86 VanDerWaalsContact O-N 3.15Å; Q86-R88 PolarHBondContact O-N 2.8Å
87	G	96.4	Very high	96.6	Very high	74 Å²	74	75 Å²	75	76%	0.763	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	1.7	-177.4	0	0	0	0	0	115	F85	F85-G87 PolarHBondContact O-N 3.12Å
88	R	97.8	Very high	96.8	Very high	71 Å²	71	71.1 Å²	71.1	27%	0.268	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-21.4	179.5	-60.7	-169.9	178.9	164.2	-4.6	113.3	S84 F85 Q86 L104 S105 S108 E110	S84-R88 PolarHBondContact O-NH1 2.75Å; F85-R88 PolarHBondContact O-N 2.86Å; Q86-R88 PolarHBondContact O-N 2.8Å; R88-L104 CarbonylContact O-C 3.55Å; R88-L104 VanDerWaalsContact O-CA 3.29Å; R88-L104 WeakPolarHBondContact O-CA 3.3Å; R88-S105 WeakPolarHBondContact CB-O 3.41Å; R88-S105 PolarHBondContact O-N 2.87Å; R88-S108 PolarHBondContact NH1-OG 3.35Å; R88-E110 IonicContact NH1-OE1 2.71Å; R88-E110 PolarHBondContact NH1-OE1 2.92Å
89	S	98.1	Very high	97.1	Very high	25 Å²	25	70.2 Å²	70.2	18%	0.175	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.9	-174.3	64.1	0	0	0	0	113.4	V73 F85 L103	V73-S89 VanDerWaalsContact O-CB 3.22Å; V73-S89 WeakPolarHBondContact O-CB 3.28Å; V73-S89 PolarHBondContact O-OG 2.8Å; F85-S89 PolarHBondContact O-N 2.9Å; F85-S89 PolarHBondContact O-OG 2.9Å; S89-L103 WeakPolarHBondContact CA-O 3.15Å
90	R	97.6	Very high	97.5	Very high	124 Å²	124	61.8 Å²	61.8	47%	0.468	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.2	176	-174.6	170	72.3	98.3	-9.4	110.9	L103 E167	R90-L103 HydrophobicContact CB-CB 4.44Å; R90-L103 PolarHBondContact N-O 2.97Å; R90-L103 PolarHBondContact O-N 2.84Å; R90-E167 IonicContact CZ-OE1 3.79Å; R90-E167 IonicContact NH2-OE1 2.68Å; R90-E167 PolarHBondContact NH2-OE1 3.38Å
91	L	98.3	Very high	97.7	Very high	31 Å²	31	57.6 Å²	57.6	16%	0.162	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.7	168.7	-164.4	79.3	0	0	0	109.5	F74 G93 L95 C100 T101	F74-L91 HydrophobicContact CD1-CB 4.27Å; F74-L91 HydrophobicContact CD1-CD1 4.32Å; F74-L91 HydrophobicContact CD2-CB 4.23Å; F74-L91 HydrophobicContact CE1-CB 3.82Å; F74-L91 HydrophobicContact CE1-CD1 4.19Å; F74-L91 HydrophobicContact CE1-CD2 3.85Å; F74-L91 HydrophobicContact CE1-CG 4.18Å; F74-L91 HydrophobicContact CE2-CB 3.77Å; F74-L91 HydrophobicContact CG-CB 4.46Å; F74-L91 HydrophobicContact CZ-CB 3.54Å; F74-L91 HydrophobicContact CZ-CD2 3.99Å; F74-L91 HydrophobicContact CZ-CG 4.29Å; L91-G93 VanDerWaalsContact CD2-O 3.24Å; L91-G93 WeakPolarHBondContact CD2-O 3.14Å; L91-L95 HydrophobicContact CD2-CD1 4.25Å; L91-L95 HydrophobicContact CD2-CD2 3.78Å; L91-L95 HydrophobicContact CD2-CG 3.75Å; L91-C100 WeakPolarHBondContact CD1-O 3.36Å; L91-T101 WeakPolarHBondContact CD1-O 3.27Å
92	L	97.5	Very high	97.8	Very high	67 Å²	67	56.5 Å²	56.5	35%	0.351	31%	0.307	S	S	.	.			trans	-94.6	-31.9	179.5	-60	-171.3	0	0	0	113.2	T101 L103	L92-T101 HydrophobicContact CB-CG2 4.19Å; L92-T101 HydrophobicContact CD1-CG2 4.01Å; L92-T101 HydrophobicContact CG-CG2 4.39Å; L92-T101 PolarHBondContact N-O 3Å; L92-L103 HydrophobicContact CD1-CB 4.04Å; L92-L103 HydrophobicContact CD2-CB 3.82Å; L92-L103 HydrophobicContact CD2-CD2 4.14Å; L92-L103 HydrophobicContact CG-CB 3.86Å
93	G	93.1	Very high	97.8	Very high	11 Å²	11	53.2 Å²	53.2	11%	0.113	29%	0.292	C	S	.	.	S	Bend	trans	-97	158.1	-174.8	0	0	0	0	0	114.3	L91 N99	L91-G93 VanDerWaalsContact CD2-O 3.24Å; L91-G93 WeakPolarHBondContact CD2-O 3.14Å; G93-N99 CarbonylContact C-O 3.57Å
94	D	97.6	Very high	97.8	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	26%	0.256	S	S	.	.			trans	-80.7	122.8	165.6	-173	-14.5	0	0	0	110.1	G96 L97 N99	D94-G96 VanDerWaalsContact C-N 3.25Å; D94-G96 PolarHBondContact O-N 3.3Å; D94-G96 PolarHBondContact OD1-N 2.62Å; D94-L97 HydrophobicContact CB-CB 4.24Å; D94-L97 HydrophobicContact CB-CD1 4.16Å; D94-L97 HydrophobicContact CB-CG 4.08Å; D94-L97 CarbonylContact O-C 3.04Å; D94-L97 PolarHBondContact O-N 2.9Å; D94-N99 CarbonylContact C-O 3.52Å; D94-N99 PolarHBondContact O-N 3.08Å; D94-N99 VanDerWaalsContact O-N 3.13Å
95	L	98.3	Very high	97.8	Very high	9 Å²	9	45 Å²	45	5%	0.047	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-64	-29.9	177.4	-63.5	-177.9	0	0	0	112.5	F44 V55 G57 L91 L97 R98 C100 F117	F44-L95 HydrophobicContact CE1-CD2 4.01Å; F44-L95 HydrophobicContact CZ-CB 4.36Å; F44-L95 HydrophobicContact CZ-CD2 4.37Å; F44-L95 VanDerWaalsContact CZ-O 3.31Å; F44-L95 WeakPolarHBondContact CZ-O 3.4Å; V55-L95 HydrophobicContact CB-CB 4.17Å; V55-L95 HydrophobicContact CG1-CB 4.06Å; G57-L95 VanDerWaalsContact N-CD1 3.31Å; L91-L95 HydrophobicContact CD2-CD1 4.25Å; L91-L95 HydrophobicContact CD2-CD2 3.78Å; L91-L95 HydrophobicContact CD2-CG 3.75Å; L95-L97 PolarHBondContact O-N 3.01Å; L95-R98 PolarHBondContact O-N 3.43Å; L95-C100 HydrophobicContact CD2-CB 4.17Å; L95-F117 HydrophobicContact CD2-CE2 4.14Å; L95-F117 HydrophobicContact CD2-CZ 3.71Å
96	G	97.2	Very high	97.8	Very high	46 Å²	46	48.9 Å²	48.9	47%	0.474	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.2	-25.9	173.3	0	0	0	0	0	112.9	D94 R98	D94-G96 VanDerWaalsContact C-N 3.25Å; D94-G96 PolarHBondContact O-N 3.3Å; D94-G96 PolarHBondContact OD1-N 2.62Å; G96-R98 VanDerWaalsContact C-N 3.26Å; G96-R98 PolarHBondContact O-N 2.64Å
97	L	97.6	Very high	97.8	Very high	120 Å²	120	43.6 Å²	43.6	63%	0.628	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-92.6	18.5	173	-59.1	-178.5	0	0	0	112.6	R43 D94 L95 N99	R43-L97 PolarHBondContact NH1-O 2.8Å; D94-L97 HydrophobicContact CB-CB 4.24Å; D94-L97 HydrophobicContact CB-CD1 4.16Å; D94-L97 HydrophobicContact CB-CG 4.08Å; D94-L97 CarbonylContact O-C 3.04Å; D94-L97 PolarHBondContact O-N 2.9Å; L95-L97 PolarHBondContact O-N 3.01Å; L97-N99 PolarHBondContact O-N 3.24Å
98	R	98.1	Very high	97.9	Very high	64 Å²	64	41 Å²	41	24%	0.242	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	27.3	179.1	-61	-172.5	-162.2	-107.4	4.4	113.1	R43 F44 D45 F46 D48 L95 G96	R43-R98 WeakPolarHBondContact CA-O 3.43Å; R43-R98 WeakPolarHBondContact CD-O 3.39Å; F44-R98 PolarHBondContact N-O 3.5Å; F44-R98 VanDerWaalsContact O-CB 3.27Å; F44-R98 WeakPolarHBondContact O-CB 3.24Å; F44-R98 WeakPolarHBondContact O-CD 3.49Å; D45-R98 IonicContact OD1-CZ 3.78Å; D45-R98 VanDerWaalsContact OD1-CZ 3.26Å; D45-R98 IonicContact OD1-NE 3.26Å; D45-R98 IonicContact OD1-NH1 2.81Å; D45-R98 PolarHBondContact OD1-NH1 3.1Å; D45-R98 IonicContact OD1-NH2 3.87Å; F46-R98 HydrophobicContact CE1-CG 4.46Å; F46-R98 PolarHBondContact O-NH1 3.22Å; D48-R98 IonicContact OD1-CZ 3.01Å; D48-R98 IonicContact OD1-NH2 3.37Å; D48-R98 PolarHBondContact OD1-NH2 3.15Å; L95-R98 PolarHBondContact O-N 3.43Å; G96-R98 VanDerWaalsContact C-N 3.26Å; G96-R98 PolarHBondContact O-N 2.64Å
99	N	98.8	Very high	97.9	Very high	37 Å²	37	41.4 Å²	41.4	20%	0.198	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-110.9	110.2	-179	-172.8	-8.9	0	0	0	110.4	C42 G93 D94 L97 T101	C42-N99 PolarHBondContact O-OD1 3.08Å; G93-N99 CarbonylContact C-O 3.57Å; D94-N99 CarbonylContact C-O 3.52Å; D94-N99 PolarHBondContact O-N 3.08Å; D94-N99 VanDerWaalsContact O-N 3.13Å; L97-N99 PolarHBondContact O-N 3.24Å; N99-T101 VanDerWaalsContact OD1-CB 3.29Å; N99-T101 WeakPolarHBondContact OD1-CB 3.29Å; N99-T101 PolarHBondContact OD1-N 2.9Å; N99-T101 VanDerWaalsContact OD1-N 3.1Å; N99-T101 PolarHBondContact OD1-OG1 2.58Å
100	C	98.8	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.			trans	-106.3	15.2	-177.4	40.6	0	0	0	0	113.1	C42 F44 W59 L91 L95 L102 F117	C42-C100 HydrophobicContact CB-CB 3.88Å; C42-C100 WeakPolarHBondContact CB-SG 3.46Å; C42-C100 PolarHBondContact O-N 3.38Å; C42-C100 PolarHBondContact O-SG 2.91Å; C42-C100 VanDerWaalsContact O-SG 3.4Å; C42-C100 WeakPolarHBondContact SG-CB 3.2Å; C42-C100 CovalentContact SG-SG 2.03Å; C42-C100 PolarHBondContact SG-SG 2.75Å; F44-C100 HydrophobicContact CD1-CB 3.92Å; F44-C100 VanDerWaalsContact CD1-SG 3.51Å; F44-C100 HydrophobicContact CE1-CB 4.15Å; W59-C100 WeakPolarHBondContact CZ2-O 3.31Å; W59-C100 PolarHBondContact NE1-O 3.11Å; L91-C100 WeakPolarHBondContact CD1-O 3.36Å; L95-C100 HydrophobicContact CD2-CB 4.17Å; C100-L102 PolarHBondContact O-N 3.36Å; C100-F117 HydrophobicContact CB-CD1 3.86Å; C100-F117 HydrophobicContact CB-CD2 3.92Å; C100-F117 HydrophobicContact CB-CE1 3.7Å; C100-F117 HydrophobicContact CB-CE2 3.75Å; C100-F117 HydrophobicContact CB-CG 3.99Å; C100-F117 HydrophobicContact CB-CZ 3.65Å
101	T	98.8	Very high	98	Very high	20 Å²	20	40.1 Å²	40.1	12%	0.123	23%	0.23	C	C	.	.			trans	-53.3	125.1	-175	-60	0	0	0	0	111.4	S39 I40 C42 L91 L92 N99	S39-T101 WeakPolarHBondContact OG-CG2 3.46Å; I40-T101 WeakPolarHBondContact O-CA 3.34Å; I40-T101 WeakPolarHBondContact O-CG2 2.98Å; C42-T101 PolarHBondContact N-OG1 3.13Å; L91-T101 WeakPolarHBondContact CD1-O 3.27Å; L92-T101 HydrophobicContact CB-CG2 4.19Å; L92-T101 HydrophobicContact CD1-CG2 4.01Å; L92-T101 HydrophobicContact CG-CG2 4.39Å; L92-T101 PolarHBondContact N-O 3Å; N99-T101 VanDerWaalsContact OD1-CB 3.29Å; N99-T101 WeakPolarHBondContact OD1-CB 3.29Å; N99-T101 PolarHBondContact OD1-N 2.9Å; N99-T101 VanDerWaalsContact OD1-N 3.1Å; N99-T101 PolarHBondContact OD1-OG1 2.58Å
102	L	98.8	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.6	-176.2	178.2	70.4	0	0	0	109.9	S39 I40 W59 V73 F74 C100 L104 Y115	S39-L102 CarbonylContact C-O 3.4Å; S39-L102 WeakPolarHBondContact CA-O 3.41Å; I40-L102 HydrophobicContact CD1-CD2 4.46Å; I40-L102 PolarHBondContact N-O 3.22Å; I40-L102 PolarHBondContact O-N 3.48Å; I40-L102 VanDerWaalsContact O-N 3.14Å; W59-L102 HydrophobicContact CB-CD2 4.29Å; W59-L102 HydrophobicContact CD2-CB 4.27Å; W59-L102 HydrophobicContact CD2-CD2 3.78Å; W59-L102 HydrophobicContact CE3-CD2 4.11Å; W59-L102 HydrophobicContact CG-CD1 4.3Å; W59-L102 HydrophobicContact CG-CD2 3.89Å; W59-L102 HydrophobicContact CG-CG 4.48Å; W59-L102 HydrophobicContact CZ2-CB 3.95Å; V73-L102 HydrophobicContact CG1-CD1 4.36Å; V73-L102 HydrophobicContact CG1-CD2 3.85Å; F74-L102 HydrophobicContact CB-CD1 4.18Å; C100-L102 PolarHBondContact O-N 3.36Å; L102-L104 HydrophobicContact CD2-CD1 4.36Å; L102-L104 HydrophobicContact CD2-CD2 4.13Å; L102-L104 HydrophobicContact CD2-CG 4.14Å; L102-L104 HydrophobicContact CG-CD2 4.31Å; L102-L104 HydrophobicContact CG-CG 4.28Å; L102-Y115 HydrophobicContact CD2-CD1 4.21Å
103	L	98.8	Very high	98.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.4	167.3	-174.7	75.9	0	0	0	109.7	C37 V38 S89 R90 L92 P166 E167	C37-L103 HydrophobicContact CB-CD1 4.42Å; V38-L103 WeakPolarHBondContact O-CA 3.37Å; S89-L103 WeakPolarHBondContact CA-O 3.15Å; R90-L103 HydrophobicContact CB-CB 4.44Å; R90-L103 PolarHBondContact N-O 2.97Å; R90-L103 PolarHBondContact O-N 2.84Å; L92-L103 HydrophobicContact CD1-CB 4.04Å; L92-L103 HydrophobicContact CD2-CB 3.82Å; L92-L103 HydrophobicContact CD2-CD2 4.14Å; L92-L103 HydrophobicContact CG-CB 3.86Å; L103-P166 HydrophobicContact CD1-CG 3.96Å; L103-E167 VanDerWaalsContact CD2-CD 3.43Å; L103-E167 HydrophobicContact CD2-CG 4.39Å; L103-E167 WeakPolarHBondContact CD2-OE1 3.36Å; L103-E167 WeakPolarHBondContact CD2-OE2 3.4Å
104	L	98.7	Very high	98.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.4	166.9	-60.5	172.2	0	0	0	108.8	C37 V38 V73 F85 R88 L102 L107 Y115 L135	C37-L104 CarbonylContact C-O 3.6Å; C37-L104 WeakPolarHBondContact CA-O 3.4Å; C37-L104 VanDerWaalsContact CB-O 3.25Å; C37-L104 WeakPolarHBondContact CB-O 3.43Å; V38-L104 HydrophobicContact CG1-CB 3.89Å; V38-L104 HydrophobicContact CG1-CD1 4.24Å; V38-L104 HydrophobicContact CG1-CG 4.44Å; V38-L104 PolarHBondContact N-O 3.2Å; V38-L104 PolarHBondContact O-N 2.87Å; V73-L104 HydrophobicContact CG1-CD2 3.69Å; F85-L104 HydrophobicContact CD1-CD2 4.14Å; F85-L104 HydrophobicContact CE1-CD2 4.47Å; R88-L104 CarbonylContact O-C 3.55Å; R88-L104 VanDerWaalsContact O-CA 3.29Å; R88-L104 WeakPolarHBondContact O-CA 3.3Å; L102-L104 HydrophobicContact CD2-CD1 4.36Å; L102-L104 HydrophobicContact CD2-CD2 4.13Å; L102-L104 HydrophobicContact CD2-CG 4.14Å; L102-L104 HydrophobicContact CG-CD2 4.31Å; L102-L104 HydrophobicContact CG-CG 4.28Å; L104-L107 HydrophobicContact CB-CD2 3.88Å; L104-Y115 HydrophobicContact CD1-CD1 4.33Å; L104-Y115 HydrophobicContact CD1-CE1 3.5Å; L104-L135 HydrophobicContact CD1-CD2 4.03Å
105	S	98.2	Very high	98.4	Very high	29 Å²	29	36.8 Å²	36.8	20%	0.203	22%	0.216	C	C	.	.			trans	-115.4	160.1	-179.7	-54.9	0	0	0	0	111	R88	R88-S105 WeakPolarHBondContact CB-O 3.41Å; R88-S105 PolarHBondContact O-N 2.87Å
106	T	97.2	Very high	98.5	Very high	83 Å²	83	37.4 Å²	37.4	51%	0.509	22%	0.218	S	C	.	.	S	Bend	trans	53.8	55.2	-179.5	55.1	0	0	0	0	112	T36	T36-T106 PolarHBondContact O-N 3.13Å
107	L	98.4	Very high	98.5	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	20%	0.195	C	C	.	.			trans	-61.3	142	-177.3	-67.8	178.6	0	0	0	112.4	A32 G35 T36 V38 L104 L111 L135 I137	A32-L107 HydrophobicContact CB-CD1 3.6Å; G35-L107 WeakPolarHBondContact CA-O 3.44Å; G35-L107 PolarHBondContact N-O 2.95Å; T36-L107 PolarHBondContact O-N 3.01Å; V38-L107 HydrophobicContact CB-CD1 4.12Å; V38-L107 HydrophobicContact CG1-CD1 4.01Å; V38-L107 HydrophobicContact CG1-CD2 4.16Å; L104-L107 HydrophobicContact CB-CD2 3.88Å; L107-L111 HydrophobicContact CD2-CD1 4.19Å; L107-L135 HydrophobicContact CD2-CD2 4.06Å; L107-I137 HydrophobicContact CB-CD1 4.37Å
108	S	98.3	Very high	98.6	Very high	18 Å²	18	31 Å²	31	13%	0.126	17%	0.171	C	C	.	.			trans	-136.4	154.7	173.8	51.2	0	0	0	0	109.2	R88 E110 L111 I137	R88-S108 PolarHBondContact NH1-OG 3.35Å; S108-E110 PolarHBondContact O-N 3.04Å; S108-E110 VanDerWaalsContact OG-CG 3.27Å; S108-E110 WeakPolarHBondContact OG-CG 3.23Å; S108-E110 PolarHBondContact OG-OE1 2.97Å; S108-L111 WeakPolarHBondContact O-CB 3.48Å; S108-L111 PolarHBondContact O-N 2.94Å; S108-I137 WeakPolarHBondContact O-CD1 3.45Å
109	P	98.4	Very high	98.6	Very high	81 Å²	81	28 Å²	28	53%	0.526	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-54.8	-29	-173.7	-29	36.4	0	0	0	114.8	E34 L111 G112	E34-P109 WeakPolarHBondContact OE1-CD 3.44Å; P109-L111 PolarHBondContact O-N 3.09Å; P109-G112 PolarHBondContact O-N 3.37Å; P109-G112 VanDerWaalsContact O-N 3.1Å
110	E	98.3	Very high	98.6	Very high	121 Å²	121	27.2 Å²	27.2	57%	0.565	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-62.6	-19.8	176	71.8	-146.2	174.7	0	0	114.4	R88 S108 G112	R88-E110 IonicContact NH1-OE1 2.71Å; R88-E110 PolarHBondContact NH1-OE1 2.92Å; S108-E110 PolarHBondContact O-N 3.04Å; S108-E110 VanDerWaalsContact OG-CG 3.27Å; S108-E110 WeakPolarHBondContact OG-CG 3.23Å; S108-E110 PolarHBondContact OG-OE1 2.97Å; E110-G112 VanDerWaalsContact C-N 3.35Å
111	L	98.8	Very high	98.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-87.9	-5.3	178	-55.3	-175.9	0	0	0	112.4	F85 L107 S108 P109 G113 Y115 I137	F85-L111 HydrophobicContact CD1-CD2 4.11Å; F85-L111 HydrophobicContact CE1-CD2 3.65Å; F85-L111 HydrophobicContact CE2-CD2 4.48Å; F85-L111 HydrophobicContact CZ-CD2 3.85Å; L107-L111 HydrophobicContact CD2-CD1 4.19Å; S108-L111 WeakPolarHBondContact O-CB 3.48Å; S108-L111 PolarHBondContact O-N 2.94Å; P109-L111 PolarHBondContact O-N 3.09Å; L111-G113 PolarHBondContact O-N 2.88Å; L111-Y115 WeakPolarHBondContact O-CE2 3.34Å; L111-Y115 PolarHBondContact O-OH 2.85Å; L111-I137 HydrophobicContact CB-CD1 3.95Å
112	G	98.8	Very high	98.2	Very high	29 Å²	29	28.1 Å²	28.1	30%	0.299	17%	0.166	S	C	.	.			trans	-66.4	130.1	172.2	0	0	0	0	0	110.7	F61 P109 E110 L135	F61-G112 WeakPolarHBondContact CZ-O 3.49Å; P109-G112 PolarHBondContact O-N 3.37Å; P109-G112 VanDerWaalsContact O-N 3.1Å; E110-G112 VanDerWaalsContact C-N 3.35Å; G112-L135 WeakPolarHBondContact CA-O 3.34Å
113	G	98.8	Very high	97.9	Very high	14 Å²	14	31.1 Å²	31.1	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-165.2	-176.7	0	0	0	0	0	114.5	L111 Y115 V134 L135	L111-G113 PolarHBondContact O-N 2.88Å; G113-Y115 WeakPolarHBondContact O-CD2 3.49Å; G113-V134 CarbonylContact O-C 3.41Å; G113-V134 WeakPolarHBondContact O-CA 3.18Å; G113-L135 PolarHBondContact N-O 3.27Å; G113-L135 VanDerWaalsContact N-O 3.12Å; G113-L135 PolarHBondContact O-N 3.4Å
114	K	98.9	Very high	97.6	Very high	93 Å²	93	42 Å²	42	40%	0.404	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.1	-175.1	-55.3	-172.1	179.3	-175.1	0	111.1	F61 N62 Y116 V134	F61-K114 CarbonylContact C-O 3.54Å; N62-K114 PolarHBondContact N-O 2.95Å; N62-K114 PolarHBondContact OD1-N 3.01Å; K114-Y116 HydrophobicContact CB-CD2 4.41Å; K114-Y116 HydrophobicContact CB-CE2 3.61Å; K114-Y116 HydrophobicContact CD-CE2 4.43Å; K114-Y116 WeakPolarHBondContact CD-OH 3.44Å; K114-V134 HydrophobicContact CG-CG2 4.31Å
115	Y	98.9	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.3	179.3	-71.8	-98.6	0	0	0	110	I40 Y60 F61 V73 F85 L102 L104 L111 G113 H132 S133 L135	I40-Y115 HydrophobicContact CD1-CD1 4.45Å; I40-Y115 HydrophobicContact CD1-CD2 4.41Å; I40-Y115 HydrophobicContact CD1-CG 4.14Å; Y60-Y115 WeakPolarHBondContact O-CA 3.28Å; F61-Y115 HydrophobicContact CD2-CD1 4.44Å; F61-Y115 HydrophobicContact CD2-CD2 4.32Å; F61-Y115 AromaticContact CD2-CE1 3.97Å; F61-Y115 HydrophobicContact CD2-CE1 3.97Å; F61-Y115 AromaticContact CD2-CE2 3.81Å; F61-Y115 HydrophobicContact CD2-CE2 3.81Å; F61-Y115 AromaticContact CD2-CZ 3.64Å; F61-Y115 AromaticContact CE2-CE2 3.73Å; F61-Y115 HydrophobicContact CE2-CE2 3.73Å; F61-Y115 AromaticContact CE2-CZ 3.78Å; V73-Y115 HydrophobicContact CG1-CE1 4.24Å; V73-Y115 HydrophobicContact CG2-CD1 4.12Å; V73-Y115 HydrophobicContact CG2-CE1 3.91Å; F85-Y115 AromaticContact CE1-CE1 3.93Å; F85-Y115 HydrophobicContact CE1-CE1 3.93Å; F85-Y115 WeakPolarHBondContact CE1-OH 3.26Å; F85-Y115 HydrophobicContact CZ-CE1 4.31Å; L102-Y115 HydrophobicContact CD2-CD1 4.21Å; L104-Y115 HydrophobicContact CD1-CD1 4.33Å; L104-Y115 HydrophobicContact CD1-CE1 3.5Å; L111-Y115 WeakPolarHBondContact O-CE2 3.34Å; L111-Y115 PolarHBondContact O-OH 2.85Å; G113-Y115 WeakPolarHBondContact O-CD2 3.49Å; Y115-H132 WeakPolarHBondContact O-CA 3.48Å; Y115-H132 VanDerWaalsContact O-CB 3.28Å; Y115-H132 WeakPolarHBondContact O-CB 3.48Å; Y115-S133 PolarHBondContact N-O 3.04Å; Y115-S133 PolarHBondContact O-N 3.46Å; Y115-S133 VanDerWaalsContact O-N 3.1Å; Y115-L135 HydrophobicContact CD2-CB 3.92Å; Y115-L135 HydrophobicContact CE2-CB 3.54Å; Y115-L135 HydrophobicContact CE2-CD2 3.94Å; Y115-L135 HydrophobicContact CE2-CG 4.4Å
116	Y	98.9	Very high	97.5	Very high	22 Å²	22	47.7 Å²	47.7	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.8	-178.7	-63.3	-88.9	0	0	0	110.2	W59 Y60 P64 K114 H132	W59-Y116 CarbonylContact C-O 3.59Å; W59-Y116 WeakPolarHBondContact CA-O 3.29Å; Y60-Y116 PolarHBondContact N-O 3.49Å; Y60-Y116 PolarHBondContact O-N 2.9Å; P64-Y116 HydrophobicContact CB-CD1 3.7Å; P64-Y116 HydrophobicContact CB-CD2 4.37Å; P64-Y116 HydrophobicContact CB-CE1 3.98Å; P64-Y116 HydrophobicContact CB-CG 3.93Å; P64-Y116 HydrophobicContact CG-CE1 4.35Å; K114-Y116 HydrophobicContact CB-CD2 4.41Å; K114-Y116 HydrophobicContact CB-CE2 3.61Å; K114-Y116 HydrophobicContact CD-CE2 4.43Å; K114-Y116 WeakPolarHBondContact CD-OH 3.44Å; Y116-H132 HydrophobicContact CD1-CB 3.48Å; Y116-H132 VanDerWaalsContact CD1-CB 3.48Å; Y116-H132 HydrophobicContact CE1-CB 3.39Å; Y116-H132 AromaticContact CE1-CG 3.48Å; Y116-H132 VanDerWaalsContact CE1-CG 3.48Å; Y116-H132 AromaticContact CE1-ND1 3.66Å; Y116-H132 HydrophobicContact CG-CB 4.11Å; Y116-H132 AromaticContact CZ-CG 3.81Å
117	F	98.9	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.6	170.2	-175.8	-113.6	0	0	0	110.7	M26 F44 W59 L95 C100 F129	M26-F117 HydrophobicContact CE-CB 4.34Å; F44-F117 HydrophobicContact CB-CD1 4.4Å; F44-F117 HydrophobicContact CB-CE1 4.32Å; F44-F117 HydrophobicContact CD1-CD1 4.38Å; F44-F117 AromaticContact CD1-CE1 3.66Å; F44-F117 HydrophobicContact CD1-CE1 3.66Å; F44-F117 HydrophobicContact CD1-CZ 4.37Å; F44-F117 HydrophobicContact CD2-CE1 4.13Å; F44-F117 AromaticContact CE1-CE1 3.87Å; F44-F117 HydrophobicContact CE1-CE1 3.87Å; F44-F117 HydrophobicContact CE1-CZ 4.17Å; F44-F117 HydrophobicContact CE2-CE1 4.32Å; F44-F117 HydrophobicContact CG-CD1 4.34Å; F44-F117 AromaticContact CG-CE1 3.78Å; F44-F117 HydrophobicContact CG-CE1 3.78Å; F44-F117 HydrophobicContact CZ-CE1 4.19Å; F44-F117 HydrophobicContact CZ-CZ 4.44Å; W59-F117 AromaticContact CD1-CD2 3.78Å; W59-F117 HydrophobicContact CD2-CB 4.21Å; W59-F117 HydrophobicContact CD2-CD2 4.1Å; W59-F117 AromaticContact CE2-CD2 3.78Å; W59-F117 HydrophobicContact CE3-CB 4.27Å; W59-F117 HydrophobicContact CG-CD2 4.12Å; W59-F117 HydrophobicContact CH2-CB 4.18Å; W59-F117 HydrophobicContact CZ2-CB 4.11Å; W59-F117 HydrophobicContact CZ2-CD2 4.4Å; W59-F117 HydrophobicContact CZ3-CB 4.24Å; W59-F117 AromaticContact NE1-CD2 3.53Å; L95-F117 HydrophobicContact CD2-CE2 4.14Å; L95-F117 HydrophobicContact CD2-CZ 3.71Å; C100-F117 HydrophobicContact CB-CD1 3.86Å; C100-F117 HydrophobicContact CB-CD2 3.92Å; C100-F117 HydrophobicContact CB-CE1 3.7Å; C100-F117 HydrophobicContact CB-CE2 3.75Å; C100-F117 HydrophobicContact CB-CG 3.99Å; C100-F117 HydrophobicContact CB-CZ 3.65Å; F117-F129 HydrophobicContact CB-CD2 4.49Å; F117-F129 AromaticContact CD1-CD2 3.68Å; F117-F129 HydrophobicContact CD1-CD2 3.68Å; F117-F129 AromaticContact CD1-CE2 3.59Å; F117-F129 HydrophobicContact CD1-CE2 3.59Å; F117-F129 HydrophobicContact CE1-CD2 4.42Å; F117-F129 AromaticContact CE1-CE2 3.87Å; F117-F129 HydrophobicContact CE1-CE2 3.87Å; F117-F129 WeakPolarHBondContact O-CD2 3.41Å; F117-F129 PolarHBondContact O-N 3.2Å; F117-F129 VanDerWaalsContact O-N 3.11Å
118	R	98.7	Very high	97.6	Very high	33 Å²	33	48.5 Å²	48.5	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.9	173.6	176.5	177.8	-179.4	78.6	-2.9	109.7	G57 V58 Y60 Y127 T128	G57-R118 CarbonylContact C-O 3.54Å; G57-R118 VanDerWaalsContact CA-O 3.24Å; G57-R118 WeakPolarHBondContact CA-O 3.4Å; V58-R118 HydrophobicContact CB-CB 4.45Å; V58-R118 PolarHBondContact N-O 2.83Å; V58-R118 PolarHBondContact O-N 3.13Å; Y60-R118 HydrophobicContact CD2-CB 4.41Å; Y60-R118 HydrophobicContact CE2-CB 4.24Å; R118-Y127 CarbonylContact C-O 3.52Å; R118-Y127 VanDerWaalsContact CA-O 3.3Å; R118-Y127 WeakPolarHBondContact CA-O 3.34Å; R118-Y127 WeakPolarHBondContact CG-O 3.22Å; R118-T128 HydrophobicContact CB-CG2 4.47Å; R118-T128 WeakPolarHBondContact CD-OG1 3.24Å; R118-T128 PolarHBondContact NH1-OG1 3.15Å; R118-T128 VanDerWaalsContact NH1-OG1 3.08Å
119	G	98.4	Very high	97.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142.6	170.8	0	0	0	0	0	111.8	Q126 Y127	G119-Q126 WeakPolarHBondContact O-CA 3.31Å; G119-Y127 PolarHBondContact N-O 3.46Å; G119-Y127 PolarHBondContact O-N 3.16Å
120	D	97.9	Very high	97.6	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	103.6	174	170.8	16.1	0	0	0	109.2	H56 R77 G122 Q126	H56-D120 WeakPolarHBondContact CA-O 3.46Å; H56-D120 HydrophobicContact CB-CB 3.95Å; H56-D120 WeakPolarHBondContact CB-O 3.47Å; H56-D120 PolarHBondContact N-O 3.39Å; H56-D120 PolarHBondContact O-N 2.87Å; R77-D120 IonicContact CZ-OD2 2.59Å; R77-D120 IonicContact NE-OD2 3.99Å; R77-D120 PolarHBondContact NE-OD2 3.4Å; R77-D120 IonicContact NH2-OD1 3.37Å; R77-D120 IonicContact NH2-OD2 3.57Å; R77-D120 PolarHBondContact NH2-OD2 2.82Å; D120-G122 PolarHBondContact OD1-N 3Å; D120-Q126 HydrophobicContact CB-CG 4.35Å
121	L	97.2	Very high	97.6	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.244	C	C	.	.			trans	-99.7	13.8	-178.4	-70.3	73.5	0	0	0	112	W22 F46 L50 P52 N125	W22-L121 HydrophobicContact CH2-CD1 3.94Å; W22-L121 HydrophobicContact CH2-CD2 4.28Å; W22-L121 HydrophobicContact CZ3-CD1 3.98Å; F46-L121 HydrophobicContact CB-CD2 3.94Å; F46-L121 HydrophobicContact CD1-CD1 4.42Å; F46-L121 HydrophobicContact CD1-CD2 3.76Å; F46-L121 HydrophobicContact CD2-CD2 3.32Å; F46-L121 HydrophobicContact CE1-CD2 4.01Å; F46-L121 HydrophobicContact CE2-CD2 3.6Å; F46-L121 HydrophobicContact CG-CD2 3.4Å; F46-L121 HydrophobicContact CZ-CD2 3.94Å; L50-L121 HydrophobicContact CB-CD2 4.45Å; L50-L121 HydrophobicContact CD1-CD2 3.92Å; P52-L121 HydrophobicContact CB-CB 4.13Å; P52-L121 HydrophobicContact CB-CG 4.49Å; P52-L121 HydrophobicContact CG-CB 4.21Å; P52-L121 HydrophobicContact CG-CD2 3.9Å; P52-L121 HydrophobicContact CG-CG 4.05Å; L121-N125 HydrophobicContact CB-CB 3.89Å; L121-N125 PolarHBondContact N-O 3.47Å
122	G	93.8	Very high	97.6	Very high	26 Å²	26	47.8 Å²	47.8	27%	0.268	26%	0.256	S	S	.	.	S	Bend	trans	90.8	155.9	-176.6	0	0	0	0	0	114.2	D120 Y124 N125	D120-G122 PolarHBondContact OD1-N 3Å; G122-Y124 PolarHBondContact O-N 2.82Å; G122-N125 WeakPolarHBondContact O-CB 3.41Å; G122-N125 PolarHBondContact O-N 2.88Å
123	G	91.5	Very high	97.6	Very high	62 Å²	62	46.4 Å²	46.4	64%	0.639	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-126.2	-178.8	0	0	0	0	0	112.4	Q126	G123-Q126 PolarHBondContact O-NE2 3.08Å
124	Y	93	Very high	97.6	Very high	231 Å²	231	48 Å²	48	91%	0.906	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.6	179	-60.1	-72.4	0	0	0	113.8	G122 Q126	G122-Y124 PolarHBondContact O-N 2.82Å; Y124-Q126 PolarHBondContact O-N 2.81Å
125	N	97.1	Very high	97.6	Very high	61 Å²	61	43.7 Å²	43.7	33%	0.326	23%	0.23	S	C	.	.			trans	-85.1	62.1	-176.9	-60.6	-41.9	0	0	0	111	W22 L50 L121 G122	W22-N125 HydrophobicContact CH2-CB 4.43Å; L50-N125 HydrophobicContact CD1-CB 4.22Å; L121-N125 HydrophobicContact CB-CB 3.89Å; L121-N125 PolarHBondContact N-O 3.47Å; G122-N125 WeakPolarHBondContact O-CB 3.41Å; G122-N125 PolarHBondContact O-N 2.88Å
126	Q	97.6	Very high	97.6	Very high	87 Å²	87	47.7 Å²	47.7	41%	0.407	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.2	178.9	-53.7	175.1	18.6	0	0	110	G119 D120 G123 Y124	G119-Q126 WeakPolarHBondContact O-CA 3.31Å; D120-Q126 HydrophobicContact CB-CG 4.35Å; G123-Q126 PolarHBondContact O-NE2 3.08Å; Y124-Q126 PolarHBondContact O-N 2.81Å
127	Y	98.2	Very high	97.5	Very high	92 Å²	92	48.1 Å²	48.1	36%	0.361	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126	-171.4	-164.2	-94.7	0	0	0	110.2	W22 R118 G119 F129	W22-Y127 HydrophobicContact CB-CD1 4.14Å; W22-Y127 HydrophobicContact CB-CE1 3.99Å; W22-Y127 HydrophobicContact CB-CE2 4.37Å; W22-Y127 HydrophobicContact CB-CG 4.4Å; W22-Y127 HydrophobicContact CD2-CD1 4.35Å; W22-Y127 HydrophobicContact CD2-CD2 4.17Å; W22-Y127 AromaticContact CD2-CG 3.91Å; W22-Y127 HydrophobicContact CD2-CG 3.91Å; W22-Y127 AromaticContact CE3-CD1 4Å; W22-Y127 HydrophobicContact CE3-CD1 4Å; W22-Y127 HydrophobicContact CE3-CD2 4.4Å; W22-Y127 AromaticContact CE3-CG 3.69Å; W22-Y127 HydrophobicContact CE3-CG 3.69Å; W22-Y127 HydrophobicContact CG-CD1 4.46Å; W22-Y127 HydrophobicContact CG-CD2 4.24Å; W22-Y127 HydrophobicContact CG-CE2 4.44Å; W22-Y127 HydrophobicContact CG-CG 4.25Å; W22-Y127 VanDerWaalsContact CZ3-CB 3.42Å; W22-Y127 HydrophobicContact CZ3-CG 4.24Å; R118-Y127 CarbonylContact C-O 3.52Å; R118-Y127 VanDerWaalsContact CA-O 3.3Å; R118-Y127 WeakPolarHBondContact CA-O 3.34Å; R118-Y127 WeakPolarHBondContact CG-O 3.22Å; G119-Y127 PolarHBondContact N-O 3.46Å; G119-Y127 PolarHBondContact O-N 3.16Å; Y127-F129 AromaticContact CD1-CD1 3.73Å; Y127-F129 HydrophobicContact CD1-CD1 3.73Å; Y127-F129 AromaticContact CD1-CE1 3.95Å; Y127-F129 HydrophobicContact CD1-CE1 3.95Å; Y127-F129 HydrophobicContact CD1-CG 4.23Å; Y127-F129 HydrophobicContact CE1-CD1 4.02Å
128	T	98.6	Very high	97.5	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.086	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.5	166.2	-54.6	0	0	0	0	107.3	P64 R118	P64-T128 HydrophobicContact CB-CG2 3.64Å; P64-T128 WeakPolarHBondContact O-CB 3.4Å; P64-T128 WeakPolarHBondContact O-CG2 3.48Å; P64-T128 PolarHBondContact O-OG1 3.18Å; R118-T128 HydrophobicContact CB-CG2 4.47Å; R118-T128 WeakPolarHBondContact CD-OG1 3.24Å; R118-T128 PolarHBondContact NH1-OG1 3.15Å; R118-T128 VanDerWaalsContact NH1-OG1 3.08Å
129	F	98.5	Very high	97.5	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144.3	179.3	-59	-78.3	0	0	0	110.6	W22 G23 A24 F44 D45 F117 Y127 E131	W22-F129 HydrophobicContact CE3-CE1 4.08Å; W22-F129 HydrophobicContact CE3-CZ 4.26Å; G23-F129 WeakPolarHBondContact O-CD1 3.38Å; G23-F129 VanDerWaalsContact O-CE1 3.26Å; G23-F129 WeakPolarHBondContact O-CE1 3.29Å; A24-F129 HydrophobicContact CB-CB 3.66Å; A24-F129 HydrophobicContact CB-CD1 3.87Å; A24-F129 HydrophobicContact CB-CD2 4Å; A24-F129 HydrophobicContact CB-CG 3.56Å; F44-F129 HydrophobicContact CB-CD2 4.44Å; F44-F129 HydrophobicContact CB-CE1 4.31Å; F44-F129 HydrophobicContact CB-CE2 3.8Å; F44-F129 HydrophobicContact CB-CZ 3.72Å; F44-F129 HydrophobicContact CD2-CE2 4.06Å; F44-F129 AromaticContact CD2-CZ 3.77Å; F44-F129 HydrophobicContact CD2-CZ 3.77Å; F44-F129 HydrophobicContact CG-CE2 4.17Å; F44-F129 HydrophobicContact CG-CZ 4.15Å; D45-F129 WeakPolarHBondContact O-CE1 3.46Å; F117-F129 HydrophobicContact CB-CD2 4.49Å; F117-F129 AromaticContact CD1-CD2 3.68Å; F117-F129 HydrophobicContact CD1-CD2 3.68Å; F117-F129 AromaticContact CD1-CE2 3.59Å; F117-F129 HydrophobicContact CD1-CE2 3.59Å; F117-F129 HydrophobicContact CE1-CD2 4.42Å; F117-F129 AromaticContact CE1-CE2 3.87Å; F117-F129 HydrophobicContact CE1-CE2 3.87Å; F117-F129 WeakPolarHBondContact O-CD2 3.41Å; F117-F129 PolarHBondContact O-N 3.2Å; F117-F129 VanDerWaalsContact O-N 3.11Å; Y127-F129 AromaticContact CD1-CD1 3.73Å; Y127-F129 HydrophobicContact CD1-CD1 3.73Å; Y127-F129 AromaticContact CD1-CE1 3.95Å; Y127-F129 HydrophobicContact CD1-CE1 3.95Å; Y127-F129 HydrophobicContact CD1-CG 4.23Å; Y127-F129 HydrophobicContact CE1-CD1 4.02Å; F129-E131 VanDerWaalsContact C-N 3.32Å
130	S	97.9	Very high	97.4	Very high	78 Å²	78	58.1 Å²	58.1	55%	0.545	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-35.1	177.8	31.5	0	0	0	0	111.9	H132	S130-H132 PolarHBondContact O-N 3.35Å; S130-H132 PolarHBondContact O-ND1 3.37Å; S130-H132 VanDerWaalsContact O-ND1 3.13Å
131	E	98.6	Very high	97.4	Very high	70 Å²	70	60 Å²	60	33%	0.327	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.9	175.6	-56.9	73.4	-141.5	0	0	108.8	A24 M26 F129	A24-E131 HydrophobicContact CB-CB 4.47Å; A24-E131 PolarHBondContact N-OE2 3.31Å; A24-E131 VanDerWaalsContact N-OE2 3.14Å; A24-E131 VanDerWaalsContact O-CG 3.3Å; A24-E131 WeakPolarHBondContact O-CG 3.44Å; M26-E131 HydrophobicContact CE-CB 4.18Å; M26-E131 WeakPolarHBondContact CE-O 3.41Å; M26-E131 HydrophobicContact CG-CB 4.2Å; M26-E131 VanDerWaalsContact SD-C 3.6Å; M26-E131 VanDerWaalsContact SD-O 3.37Å; F129-E131 VanDerWaalsContact C-N 3.32Å
132	H	98.8	Very high	97.4	Very high	56 Å²	56	63.7 Å²	63.7	26%	0.259	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.7	-179.3	60.2	-79.4	0	0	0	109.2	M26 Y115 Y116 S130	M26-H132 WeakPolarHBondContact SD-CA 3.33Å; Y115-H132 WeakPolarHBondContact O-CA 3.48Å; Y115-H132 VanDerWaalsContact O-CB 3.28Å; Y115-H132 WeakPolarHBondContact O-CB 3.48Å; Y116-H132 HydrophobicContact CD1-CB 3.48Å; Y116-H132 VanDerWaalsContact CD1-CB 3.48Å; Y116-H132 HydrophobicContact CE1-CB 3.39Å; Y116-H132 AromaticContact CE1-CG 3.48Å; Y116-H132 VanDerWaalsContact CE1-CG 3.48Å; Y116-H132 AromaticContact CE1-ND1 3.66Å; Y116-H132 HydrophobicContact CG-CB 4.11Å; Y116-H132 AromaticContact CZ-CG 3.81Å; S130-H132 PolarHBondContact O-N 3.35Å; S130-H132 PolarHBondContact O-ND1 3.37Å; S130-H132 VanDerWaalsContact O-ND1 3.13Å
133	S	98.9	Very high	97.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133	174.7	-176.1	0	0	0	0	109.6	M26 P27 I30 Y115	M26-S133 PolarHBondContact SD-N 2.8Å; P27-S133 VanDerWaalsContact O-CA 3.27Å; P27-S133 WeakPolarHBondContact O-CA 3.35Å; P27-S133 VanDerWaalsContact O-CB 3.22Å; P27-S133 WeakPolarHBondContact O-CB 3.11Å; P27-S133 PolarHBondContact O-OG 2.89Å; I30-S133 WeakPolarHBondContact CG2-OG 3.3Å; Y115-S133 PolarHBondContact N-O 3.04Å; Y115-S133 PolarHBondContact O-N 3.46Å; Y115-S133 VanDerWaalsContact O-N 3.1Å
134	V	98.9	Very high	97.9	Very high	48 Å²	48	67.6 Å²	67.6	29%	0.291	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.9	167.8	-174	0	0	0	0	108.1	S28 T29 I30 G113 K114	S28-V134 PolarHBondContact O-N 3.15Å; T29-V134 WeakPolarHBondContact CA-O 3.09Å; T29-V134 HydrophobicContact CG2-CB 4.37Å; I30-V134 PolarHBondContact N-O 3.41Å; G113-V134 CarbonylContact O-C 3.41Å; G113-V134 WeakPolarHBondContact O-CA 3.18Å; K114-V134 HydrophobicContact CG-CG2 4.31Å
135	L	98.9	Very high	98.1	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.8	172	178.2	59.4	0	0	0	109.2	I30 V38 L104 L107 G112 G113 Y115 I137	I30-L135 HydrophobicContact CG2-CD1 4.03Å; I30-L135 WeakPolarHBondContact O-CA 3.21Å; V38-L135 HydrophobicContact CB-CD1 4.24Å; V38-L135 HydrophobicContact CG1-CD1 3.85Å; V38-L135 HydrophobicContact CG1-CD2 4.01Å; V38-L135 HydrophobicContact CG2-CD1 4.08Å; L104-L135 HydrophobicContact CD1-CD2 4.03Å; L107-L135 HydrophobicContact CD2-CD2 4.06Å; G112-L135 WeakPolarHBondContact CA-O 3.34Å; G113-L135 PolarHBondContact N-O 3.27Å; G113-L135 VanDerWaalsContact N-O 3.12Å; G113-L135 PolarHBondContact O-N 3.4Å; Y115-L135 HydrophobicContact CD2-CB 3.92Å; Y115-L135 HydrophobicContact CE2-CB 3.54Å; Y115-L135 HydrophobicContact CE2-CD2 3.94Å; Y115-L135 HydrophobicContact CE2-CG 4.4Å; L135-I137 HydrophobicContact CD2-CD1 4.29Å; L135-I137 HydrophobicContact CD2-CG1 4.31Å; L135-I137 HydrophobicContact CG-CG1 4.06Å
136	D	98.7	Very high	98.1	Very high	84 Å²	84	59.8 Å²	59.8	45%	0.449	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.7	172.2	-179.4	37.3	0	0	0	109.8	I30 S31 A32 V138	I30-D136 PolarHBondContact O-N 2.03Å; S31-D136 WeakPolarHBondContact CA-O 3.3Å; S31-D136 PolarHBondContact OG-OD2 3.34Å; A32-D136 PolarHBondContact N-O 2.64Å; A32-D136 VanDerWaalsContact N-O 3.13Å; D136-V138 WeakPolarHBondContact OD2-CG1 3.49Å
137	I	98.6	Very high	98	Very high	31 Å²	31	62.7 Å²	62.7	16%	0.159	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.3	-176.6	-60.7	178.6	0	0	0	107.6	A32 E34 L107 S108 L111 L135	A32-I137 WeakPolarHBondContact O-CA 3.5Å; E34-I137 HydrophobicContact CB-CG2 3.98Å; L107-I137 HydrophobicContact CB-CD1 4.37Å; S108-I137 WeakPolarHBondContact O-CD1 3.45Å; L111-I137 HydrophobicContact CB-CD1 3.95Å; L135-I137 HydrophobicContact CD2-CD1 4.29Å; L135-I137 HydrophobicContact CD2-CG1 4.31Å; L135-I137 HydrophobicContact CG-CG1 4.06Å
138	V	98.3	Very high	98	Very high	31 Å²	31	65.6 Å²	65.6	19%	0.188	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	157.7	-175	-60.4	0	0	0	0	111	A32 F33 E34 D136 P162	A32-V138 PolarHBondContact O-N 3.32Å; F33-V138 CarbonylContact C-O 3.58Å; F33-V138 VanDerWaalsContact CA-O 3.28Å; F33-V138 WeakPolarHBondContact CA-O 3.07Å; F33-V138 HydrophobicContact CD1-CG2 4.4Å; F33-V138 WeakPolarHBondContact CD1-O 3.39Å; F33-V138 HydrophobicContact CD2-CG2 4.16Å; F33-V138 HydrophobicContact CE1-CG2 4.44Å; F33-V138 HydrophobicContact CE2-CG2 4.19Å; F33-V138 HydrophobicContact CG-CG2 4.27Å; F33-V138 HydrophobicContact CZ-CG2 4.34Å; E34-V138 PolarHBondContact N-O 3.12Å; D136-V138 WeakPolarHBondContact OD2-CG1 3.49Å; V138-P162 HydrophobicContact CG2-CG 4.01Å
139	N	97.8	Very high	97.9	Very high	116 Å²	116	69.4 Å²	69.4	62%	0.62	40%	0.395	S	S	*	.	S	Bend	trans	-131.6	3.2	176.4	58.7	16.1	0	0	0	112.7
140	T	97.4	Very high	97.8	Very high	95 Å²	95	72.8 Å²	72.8	58%	0.583	42%	0.416	S	S	*	.	S	Bend	trans	-137.1	141.5	178.1	49.7	0	0	0	0	110.2
141	P	97.2	Very high	97.8	Very high	61 Å²	61	73.9 Å²	73.9	40%	0.396	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-71.6	159.5	175.3	31.6	-35.7	0	0	0	111.1	V161	P141-V161 HydrophobicContact CB-CG2 3.73Å
142	N	97.1	Very high	97.7	Very high	91 Å²	91	75 Å²	75	49%	0.487	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.3	175.4	-172.7	-98	0	0	0	110.1	V144 C159 M160	N142-V144 VanDerWaalsContact OD1-CG2 3.29Å; N142-V144 WeakPolarHBondContact OD1-CG2 3.4Å; N142-C159 CarbonylContact O-C 3.52Å; N142-C159 WeakPolarHBondContact O-CA 3.5Å; N142-M160 HydrophobicContact CB-CB 4.4Å; N142-M160 PolarHBondContact N-O 3.15Å; N142-M160 PolarHBondContact O-N 2.94Å; N142-M160 WeakPolarHBondContact OD1-CE 3.43Å
143	I	97.7	Very high	97.7	Very high	106 Å²	106	76.1 Å²	76.1	54%	0.544	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.5	174.1	-58.9	176.1	0	0	0	108.2	V145 V157 S158	I143-V145 HydrophobicContact CG2-CG2 3.97Å; I143-V157 HydrophobicContact CG2-CG1 3.83Å; I143-S158 CarbonylContact C-O 3.57Å; I143-S158 WeakPolarHBondContact CA-O 3.46Å
144	V	97.9	Very high	97.6	Very high	63 Å²	63	85.8 Å²	85.8	38%	0.382	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116	175.6	179.8	0	0	0	0	109.1	N142 S158 M160	N142-V144 VanDerWaalsContact OD1-CG2 3.29Å; N142-V144 WeakPolarHBondContact OD1-CG2 3.4Å; V144-S158 PolarHBondContact N-O 3.29Å; V144-S158 PolarHBondContact O-N 3.02Å; V144-S158 VanDerWaalsContact O-N 3.08Å; V144-M160 HydrophobicContact CB-CE 4.45Å; V144-M160 HydrophobicContact CG2-CE 3.27Å
145	V	97.4	Very high	97.5	Very high	83 Å²	83	86.6 Å²	86.6	50%	0.503	52%	0.521	S	S	.	.			trans	-111.9	137.7	175.3	-173.7	0	0	0	0	107.4	I143 V149 V157	I143-V145 HydrophobicContact CG2-CG2 3.97Å; V145-V149 HydrophobicContact CG1-CG2 4.28Å; V145-V157 HydrophobicContact CG1-CG2 4.49Å; V145-V157 HydrophobicContact CG2-CG1 4.11Å
146	P	97	Very high	97.5	Very high	45 Å²	45	94.4 Å²	94.4	29%	0.292	56%	0.557	S	S	.	*			trans	-61.5	151.1	174.5	21	-28.3	0	0	0	111	E148 V149 V155 E156	P146-E148 PolarHBondContact O-N 3.04Å; P146-V149 HydrophobicContact CG-CG2 4.31Å; P146-V155 HydrophobicContact CG-CG1 3.4Å; P146-E156 VanDerWaalsContact CD-O 3.3Å; P146-E156 WeakPolarHBondContact CD-O 3.4Å
147	P	96.6	Very high	97.4	Very high	149 Å²	149	94.3 Å²	94.3	97%	0.968	56%	0.559	S	S	*	*	S	Bend	trans	-65.7	-23.6	-174	26.7	-35.4	0	0	0	113.4
148	E	96.9	Very high	97.4	Very high	152 Å²	152	95 Å²	95	71%	0.71	57%	0.567	S	S	*	*			trans	-130.4	136.1	177.7	-171.1	175.4	-173.7	0	0	109.8	P146 V150	P146-E148 PolarHBondContact O-N 3.04Å; E148-V150 HydrophobicContact CG-CG2 4.11Å
149	V	97	Very high	97.4	Very high	94 Å²	94	97.7 Å²	97.7	57%	0.57	59%	0.586	S	S	*	*			trans	-130.2	114.8	-179.7	176.6	0	0	0	0	107.6	V145 P146 V155	V145-V149 HydrophobicContact CG1-CG2 4.28Å; P146-V149 HydrophobicContact CG-CG2 4.31Å; V149-V155 HydrophobicContact CG1-CG2 4.26Å; V149-V155 HydrophobicContact CG2-CG1 4.4Å
150	V	97.4	Very high	97.4	Very high	73 Å²	73	96.9 Å²	96.9	44%	0.442	58%	0.58	S	S	.	*			trans	-105.7	138.9	-174.4	-176	0	0	0	0	110.5	E148 G152 T153	E148-V150 HydrophobicContact CG-CG2 4.11Å; V150-G152 PolarHBondContact O-N 2.71Å; V150-T153 HydrophobicContact CB-CG2 4.08Å; V150-T153 HydrophobicContact CG1-CG2 4.22Å; V150-T153 PolarHBondContact O-N 3.22Å; V150-T153 PolarHBondContact O-OG1 3.07Å
151	A	97.2	Very high	97.4	Very high	101 Å²	101	96.4 Å²	96.4	84%	0.835	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	133.8	177.5	0	0	0	0	0	110.8	T153	A151-T153 VanDerWaalsContact C-N 3.34Å
152	G	97	Very high	97.4	Very high	93 Å²	93	95.4 Å²	95.4	96%	0.959	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.8	2.4	-179.6	0	0	0	0	0	115.2	V150	V150-G152 PolarHBondContact O-N 2.71Å
153	T	97.1	Very high	97.4	Very high	79 Å²	79	97.1 Å²	97.1	49%	0.485	58%	0.579	S	S	.	*	S	Bend	trans	-105	144.4	172.9	61	0	0	0	0	111.2	V150 A151	V150-T153 HydrophobicContact CB-CG2 4.08Å; V150-T153 HydrophobicContact CG1-CG2 4.22Å; V150-T153 PolarHBondContact O-N 3.22Å; V150-T153 PolarHBondContact O-OG1 3.07Å; A151-T153 VanDerWaalsContact C-N 3.34Å
154	E	97.6	Very high	97.4	Very high	204 Å²	204	95 Å²	95	95%	0.953	57%	0.569	S	S	*	*			trans	-69.3	137.7	168.9	-67.4	-177.3	173.3	0	0	110
155	V	97.3	Very high	97.4	Very high	65 Å²	65	92.8 Å²	92.8	39%	0.394	56%	0.556	S	S	.	*			trans	-135.1	136.3	-176.1	-179.2	0	0	0	0	109.5	P146 V149	P146-V155 HydrophobicContact CG-CG1 3.4Å; V149-V155 HydrophobicContact CG1-CG2 4.26Å; V149-V155 HydrophobicContact CG2-CG1 4.4Å
156	E	97.7	Very high	97.2	Very high	166 Å²	166	93 Å²	93	78%	0.776	56%	0.559	S	S	*	*			trans	-96.1	134.6	173.2	-171.9	178.9	169.4	0	0	110.5	P146	P146-E156 VanDerWaalsContact CD-O 3.3Å; P146-E156 WeakPolarHBondContact CD-O 3.4Å
157	V	97.8	Very high	96	Very high	83 Å²	83	95.6 Å²	95.6	50%	0.503	57%	0.567	S	S	.	*			trans	-127.8	134.5	172.3	175.9	0	0	0	0	107.1	I143 V145	I143-V157 HydrophobicContact CG2-CG1 3.83Å; V145-V157 HydrophobicContact CG1-CG2 4.49Å; V145-V157 HydrophobicContact CG2-CG1 4.11Å
158	S	97.9	Very high	94.1	Very high	45 Å²	45	97.2 Å²	97.2	32%	0.315	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.5	149.8	179.5	66.8	0	0	0	0	111.9	I143 V144	I143-S158 CarbonylContact C-O 3.57Å; I143-S158 WeakPolarHBondContact CA-O 3.46Å; V144-S158 PolarHBondContact N-O 3.29Å; V144-S158 PolarHBondContact O-N 3.02Å; V144-S158 VanDerWaalsContact O-N 3.08Å
159	C	98	Very high	94	Very high	87 Å²	87	94.5 Å²	94.5	59%	0.588	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.1	118.3	173	-177.1	0	0	0	0	107.8	N142	N142-C159 CarbonylContact O-C 3.52Å; N142-C159 WeakPolarHBondContact O-CA 3.5Å
160	M	97.8	Very high	93.8	Very high	99 Å²	99	94.5 Å²	94.5	49%	0.488	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	132.5	-179.7	-67.8	-174.2	-75.5	0	0	110.4	N142 V144	N142-M160 HydrophobicContact CB-CB 4.4Å; N142-M160 PolarHBondContact N-O 3.15Å; N142-M160 PolarHBondContact O-N 2.94Å; N142-M160 WeakPolarHBondContact OD1-CE 3.43Å; V144-M160 HydrophobicContact CB-CE 4.45Å; V144-M160 HydrophobicContact CG2-CE 3.27Å
161	V	97.4	Very high	93.6	Very high	86 Å²	86	95.7 Å²	95.7	52%	0.521	57%	0.566	S	S	.	*			trans	-129.8	129	178.3	160.2	0	0	0	0	108	F33 P141 D163	F33-V161 HydrophobicContact CD2-CG1 4.36Å; F33-V161 HydrophobicContact CE2-CB 4.45Å; F33-V161 HydrophobicContact CE2-CG1 3.76Å; F33-V161 HydrophobicContact CE2-CG2 4.31Å; P141-V161 HydrophobicContact CB-CG2 3.73Å; V161-D163 PolarHBondContact O-N 3.05Å
162	P	97.4	Very high	93.4	Very high	40 Å²	40	95.4 Å²	95.4	26%	0.26	55%	0.55	S	S	.	.			trans	-66.1	122.1	174	26	-34.5	0	0	0	111.1	S31 F33 V138	S31-P162 WeakPolarHBondContact O-CB 3.43Å; F33-P162 HydrophobicContact CD2-CG 4.17Å; F33-P162 HydrophobicContact CE2-CG 4.14Å; V138-P162 HydrophobicContact CG2-CG 4.01Å
163	D	97.3	Very high	93.2	Very high	126 Å²	126	95.6 Å²	95.6	67%	0.674	52%	0.524	S	S	*	.			trans	-111.8	68.2	178	-172.4	19.5	0	0	0	110.7	V161	V161-D163 PolarHBondContact O-N 3.05Å
164	N	98.1	Very high	92.9	Very high	63 Å²	63	96.7 Å²	96.7	34%	0.337	53%	0.527	S	S	.	.			trans	-109.1	14.4	-178.6	-63.5	-57.5	0	0	0	112.7	I30 S31 V38 S39	I30-N164 HydrophobicContact CD1-CB 4.17Å; I30-N164 HydrophobicContact CG1-CB 4.28Å; S31-N164 PolarHBondContact O-ND2 3.11Å; V38-N164 WeakPolarHBondContact CA-O 3.42Å; V38-N164 HydrophobicContact CG2-CB 4.19Å; S39-N164 PolarHBondContact N-O 2.88Å
165	C	97.2	Very high	92.6	Very high	15 Å²	15	89 Å²	89	10%	0.101	50%	0.496	C	S	.	.			trans	-109.4	105.9	-178.1	-177.6	0	0	0	0	110.6	C37 E167 L168	C37-C165 VanDerWaalsContact CA-SG 3.57Å; C37-C165 HydrophobicContact CB-CB 4.22Å; C37-C165 WeakPolarHBondContact CB-SG 3.44Å; C37-C165 PolarHBondContact N-SG 3.2Å; C37-C165 WeakPolarHBondContact O-CB 3.47Å; C37-C165 WeakPolarHBondContact SG-CA 3.27Å; C37-C165 WeakPolarHBondContact SG-CB 3.27Å; C37-C165 CovalentContact SG-SG 2.03Å; C37-C165 PolarHBondContact SG-SG 3.14Å; C165-E167 VanDerWaalsContact C-N 3.29Å; C165-E167 PolarHBondContact O-N 2.98Å; C165-L168 HydrophobicContact CB-CG 4.14Å
166	P	93.1	Very high	92.2	Very high	87 Å²	87	90.8 Å²	90.8	57%	0.565	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.5	-179.2	29.5	-34.8	0	0	0	114.4	L103	L103-P166 HydrophobicContact CD1-CG 3.96Å
167	E	72.6	Confident	91.8	Very high	101 Å²	101	84.6 Å²	84.6	47%	0.472	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	34.3	-171.9	-63.1	-175.4	175.7	0	0	113.1	R90 L103 C165	R90-E167 IonicContact CZ-OE1 3.79Å; R90-E167 IonicContact NH2-OE1 2.68Å; R90-E167 PolarHBondContact NH2-OE1 3.38Å; L103-E167 VanDerWaalsContact CD2-CD 3.43Å; L103-E167 HydrophobicContact CD2-CG 4.39Å; L103-E167 WeakPolarHBondContact CD2-OE1 3.36Å; L103-E167 WeakPolarHBondContact CD2-OE2 3.4Å; C165-E167 VanDerWaalsContact C-N 3.29Å; C165-E167 PolarHBondContact O-N 2.98Å
168	L	56.5	Low	91.2	Very high	183 Å²	183	84.7 Å²	84.7	96%	0.958	48%	0.48	S	S	*	.			trans	-64.8	0	173.8	-77	168	0	0	0	112.8	C165	C165-L168 HydrophobicContact CB-CG 4.14Å

Retrieved 168 of 168 residues in 270.9 ms (Link to these results)

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