A0A087WP78_MOUSE Loading...

E3 ubiquitin-protein ligase NEURL3

AlphaFold DB , UniProt , Accession A0A087WP78, Species MOUSE (Mus musculus, Mouse), Gene Neurl3, Length 195 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	39	Very low	42.3	Very low	252 Å²	252	136 Å²	136	100%	1.241	83%	0.83	S	S	*	*				0	123.4	0	-51.2	-162.1	-158.3	0	0	106.2
2	G	38.6	Very low	42.9	Very low	79 Å²	79	135.9 Å²	135.9	81%	0.814	81%	0.813	S	S	*	*			cis	-156.2	163.1	3.9	0	0	0	0	0	107.5
3	S	39.9	Very low	43.2	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	81%	0.808	S	S	*	*			trans	-72.5	159.9	-165.2	47	0	0	0	0	116.3
4	L	50.9	Low	43.9	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	81%	0.806	S	S	*	*			trans	-16.1	142.2	151.8	-60.9	159.7	0	0	0	115.9
5	L	39.7	Very low	45.6	Very low	165 Å²	165	132.9 Å²	132.9	86%	0.864	78%	0.783	S	S	*	*				166.7	114.3	111.2	-84.4	162.5	0	0	0	109.8
6	S	44.5	Very low	47.9	Very low	96 Å²	96	133 Å²	133	67%	0.671	77%	0.773	S	S	*	*			trans	-65.1	159	147.7	-50	0	0	0	0	108.4
7	P	47.9	Very low	50.3	Low	123 Å²	123	128.5 Å²	128.5	80%	0.799	76%	0.755	S	S	*	*				-130.8	123.8	101.7	25.6	-11	0	0	0	110.3	A9	P7-A9 VanDerWaalsContact C-N 3.33Å; P7-A9 PolarHBondContact O-N 2.76Å
8	E	42.3	Very low	52.7	Low	183 Å²	183	122.1 Å²	122.1	86%	0.855	72%	0.717	S	S	*	*			trans	-56.8	105.4	153.9	-69	174.2	125.6	0	0	106.1	N10	E8-N10 VanDerWaalsContact C-N 3.33Å; E8-N10 PolarHBondContact O-N 2.97Å
9	A	40.2	Very low	55	Low	93 Å²	93	116.5 Å²	116.5	77%	0.769	69%	0.685	S	S	*	*			trans	-60.2	104.1	167	0	0	0	0	0	106.1	P7 A11	P7-A9 VanDerWaalsContact C-N 3.33Å; P7-A9 PolarHBondContact O-N 2.76Å; A9-A11 PolarHBondContact O-N 2.92Å
10	N	40.5	Very low	57.2	Low	151 Å²	151	110.7 Å²	110.7	81%	0.807	65%	0.65	S	S	*	*			trans	-64.1	83	169.3	-165.2	32.6	0	0	0	107	E8 E12	E8-N10 VanDerWaalsContact C-N 3.33Å; E8-N10 PolarHBondContact O-N 2.97Å; N10-E12 PolarHBondContact O-N 3.01Å
11	A	41.7	Very low	59.1	Low	83 Å²	83	106.8 Å²	106.8	69%	0.686	63%	0.626	S	S	*	*			trans	-64.4	99.5	171.5	0	0	0	0	0	106.5	A9 V13	A9-A11 PolarHBondContact O-N 2.92Å; A11-V13 PolarHBondContact O-N 2.97Å
12	E	50.1	Low	61.8	Low	135 Å²	135	96 Å²	96	63%	0.631	58%	0.58	S	S	*	*			trans	-53.1	114.6	168.7	-85	-163.4	125.2	0	0	107.2	N10 R15	N10-E12 PolarHBondContact O-N 3.01Å; E12-R15 IonicContact OE1-CZ 3.17Å; E12-R15 IonicContact OE1-NE 2.71Å; E12-R15 IonicContact OE1-NH2 3.61Å; E12-R15 PolarHBondContact OE1-NH2 3.45Å
13	V	46.1	Very low	64.5	Low	122 Å²	122	98.5 Å²	98.5	74%	0.739	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-52.9	128.2	171.6	178.8	0	0	0	0	107.1	A11 R15	A11-V13 PolarHBondContact O-N 2.97Å; V13-R15 PolarHBondContact O-N 2.94Å
14	P	53.4	Low	67.2	Low	121 Å²	121	93 Å²	93	79%	0.786	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-53.3	116.5	179.7	-25.5	33.3	0	0	0	109.3	E16	P14-E16 PolarHBondContact O-N 2.99Å
15	R	69.4	Low	69.4	Low	120 Å²	120	86.6 Å²	86.6	45%	0.453	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.6	135.1	-179.7	-60.9	179	-172.5	-137.5	-0.5	107.5	E12 V13 A17 W56 E59	E12-R15 IonicContact OE1-CZ 3.17Å; E12-R15 IonicContact OE1-NE 2.71Å; E12-R15 IonicContact OE1-NH2 3.61Å; E12-R15 PolarHBondContact OE1-NH2 3.45Å; V13-R15 PolarHBondContact O-N 2.94Å; R15-A17 PolarHBondContact O-N 2.9Å; R15-W56 VanDerWaalsContact NH1-CD1 3.31Å; R15-E59 IonicContact NH1-OE2 3.87Å
16	E	82	Confident	72.1	Confident	134 Å²	134	78.9 Å²	78.9	63%	0.626	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-54	128.4	175	-171.8	-175.4	177.3	0	0	109.3	P14 L18 R53	P14-E16 PolarHBondContact O-N 2.99Å; E16-L18 PolarHBondContact O-N 3.22Å; E16-R53 VanDerWaalsContact O-CZ 3.3Å; E16-R53 PolarHBondContact O-NE 3.48Å; E16-R53 PolarHBondContact O-NH2 2.84Å
17	A	88.9	Confident	74.6	Confident	57 Å²	57	78.2 Å²	78.2	47%	0.471	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-54.4	139.8	177.9	0	0	0	0	0	110.1	R15 S19 Q52	R15-A17 PolarHBondContact O-N 2.9Å; A17-S19 PolarHBondContact O-N 2.92Å; A17-Q52 PolarHBondContact O-NE2 2.75Å
18	L	94	Very high	76.9	Confident	13 Å²	13	74.1 Å²	74.1	7%	0.068	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-69.9	135.5	179.5	-70.8	172.3	0	0	0	110.3	E16 R53 V55 V61 L171	E16-L18 PolarHBondContact O-N 3.22Å; L18-R53 HydrophobicContact CD2-CG 3.84Å; L18-V55 HydrophobicContact CD1-CG2 4.34Å; L18-V55 HydrophobicContact CD2-CG2 4.06Å; L18-V61 HydrophobicContact CD1-CB 4.4Å; L18-V61 HydrophobicContact CD1-CG1 4.1Å; L18-V61 HydrophobicContact CD1-CG2 4.04Å; L18-L171 VanDerWaalsContact C-CD2 3.49Å; L18-L171 HydrophobicContact CB-CD1 4.47Å; L18-L171 HydrophobicContact CB-CD2 3.61Å; L18-L171 HydrophobicContact CB-CG 3.94Å
19	S	96.5	Very high	79.6	Confident	15 Å²	15	66 Å²	66	11%	0.105	40%	0.397	C	S	.	.			trans	-127.6	167	166.5	78.4	0	0	0	0	109	A17 R35 S51 Q52	A17-S19 PolarHBondContact O-N 2.92Å; S19-R35 CarbonylContact C-O 3.58Å; S19-R35 WeakPolarHBondContact CB-O 3.19Å; S19-S51 CarbonylContact O-C 3.58Å; S19-Q52 VanDerWaalsContact N-OE1 3.14Å; S19-Q52 PolarHBondContact O-N 2.65Å; S19-Q52 PolarHBondContact O-OE1 2.89Å; S19-Q52 VanDerWaalsContact O-OE1 3.11Å; S19-Q52 WeakPolarHBondContact OG-CB 3.43Å; S19-Q52 WeakPolarHBondContact OG-CG 3.43Å
20	F	98.1	Very high	82.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	145.6	169.5	-63.3	-66	0	0	0	110.8	L31 R35 S36 A38 V49 F50 M160 I169 L171	F20-L31 HydrophobicContact CB-CD1 3.92Å; F20-L31 HydrophobicContact CB-CD2 3.85Å; F20-L31 HydrophobicContact CD2-CD2 3.91Å; F20-L31 HydrophobicContact CG-CD2 4.02Å; F20-R35 HydrophobicContact CB-CB 4.5Å; F20-R35 WeakPolarHBondContact CB-O 3.25Å; F20-R35 VanDerWaalsContact CD2-O 3.26Å; F20-R35 WeakPolarHBondContact CD2-O 3.17Å; F20-R35 PolarHBondContact N-O 3.49Å; F20-S36 WeakPolarHBondContact CE2-O 3.24Å; F20-A38 HydrophobicContact CD2-CB 3.9Å; F20-A38 HydrophobicContact CE1-CB 4.21Å; F20-A38 HydrophobicContact CE2-CB 3.56Å; F20-A38 VanDerWaalsContact CE2-N 3.34Å; F20-A38 HydrophobicContact CG-CB 4.38Å; F20-A38 HydrophobicContact CZ-CB 3.75Å; F20-V49 HydrophobicContact CD1-CB 3.87Å; F20-V49 HydrophobicContact CD1-CG2 3.7Å; F20-V49 HydrophobicContact CE1-CB 4.22Å; F20-V49 HydrophobicContact CE1-CG2 3.53Å; F20-V49 HydrophobicContact CZ-CG2 4.49Å; F20-F50 CarbonylContact C-O 3.58Å; F20-F50 WeakPolarHBondContact CA-O 3.49Å; F20-M160 HydrophobicContact CD1-CE 4.01Å; F20-M160 HydrophobicContact CE1-CE 3.44Å; F20-M160 VanDerWaalsContact CE1-CE 3.44Å; F20-M160 HydrophobicContact CZ-CE 4.47Å; F20-I169 HydrophobicContact CE1-CD1 4.22Å; F20-I169 HydrophobicContact CZ-CD1 3.94Å; F20-I169 HydrophobicContact CZ-CG1 3.94Å; F20-L171 HydrophobicContact CD1-CD2 4.43Å; F20-L171 HydrophobicContact CE1-CB 4.42Å; F20-L171 HydrophobicContact CE1-CD2 4.47Å; F20-L171 HydrophobicContact CE2-CB 4.01Å; F20-L171 HydrophobicContact CZ-CB 3.91Å
21	H	97.5	Very high	85	Confident	29 Å²	29	60.5 Å²	60.5	13%	0.134	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.9	171.1	-168.1	-99.1	0	0	0	110.1	N23 A24 T25 F50 P85	H21-N23 PolarHBondContact ND1-N 3.18Å; H21-N23 PolarHBondContact O-N 3.04Å; H21-A24 WeakPolarHBondContact ND1-CB 3.15Å; H21-A24 PolarHBondContact ND1-N 2.92Å; H21-T25 WeakPolarHBondContact O-CG2 3.47Å; H21-F50 HydrophobicContact CB-CB 4.45Å; H21-F50 PolarHBondContact N-O 2.96Å; H21-P85 HydrophobicContact CB-CB 3.9Å; H21-P85 PolarHBondContact CE1-O 2.85Å
22	G	96.3	Very high	87.7	Confident	27 Å²	27	59.2 Å²	59.2	28%	0.278	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-29	-169.3	0	0	0	0	0	115.3
23	N	94.9	Very high	89.9	Confident	131 Å²	131	60.4 Å²	60.4	70%	0.701	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	-15.5	-169.9	-63.7	-13.4	0	0	0	113.9	H21	H21-N23 PolarHBondContact ND1-N 3.18Å; H21-N23 PolarHBondContact O-N 3.04Å
24	A	96.5	Very high	92.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	77.9	-178.2	0	0	0	0	0	108.1	H21 F50 P85 V88	H21-A24 WeakPolarHBondContact ND1-CB 3.15Å; H21-A24 PolarHBondContact ND1-N 2.92Å; A24-F50 HydrophobicContact CB-CD2 3.92Å; A24-F50 HydrophobicContact CB-CE2 4.27Å; A24-F50 VanDerWaalsContact O-CD2 3.25Å; A24-F50 WeakPolarHBondContact O-CD2 3.34Å; A24-P85 HydrophobicContact CB-CB 3.85Å; A24-P85 WeakPolarHBondContact CB-O 3.03Å; A24-V88 HydrophobicContact CB-CB 4.31Å
25	T	97.2	Very high	94.3	Very high	21 Å²	21	61.3 Å²	61.3	13%	0.129	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.7	-179.2	62.1	0	0	0	0	110.1	H21 V29 L31 I48 V49 A90	H21-T25 WeakPolarHBondContact O-CG2 3.47Å; T25-V29 HydrophobicContact CG2-CG1 4.18Å; T25-L31 HydrophobicContact CG2-CD1 3.93Å; T25-L31 HydrophobicContact CG2-CG 4.28Å; T25-I48 CarbonylContact C-O 3.58Å; T25-I48 WeakPolarHBondContact CA-O 3.44Å; T25-V49 HydrophobicContact CG2-CG1 4.21Å; T25-A90 WeakPolarHBondContact O-CB 3.33Å
26	G	97.1	Very high	95.6	Very high	3 Å²	3	57 Å²	57	3%	0.031	31%	0.313	C	S	.	.			trans	-60.7	155.9	175.2	0	0	0	0	0	112.3	Q28 V29 D46 I48	G26-Q28 PolarHBondContact O-N 3.32Å; G26-Q28 VanDerWaalsContact O-N 3.08Å; G26-V29 WeakPolarHBondContact O-CB 3.45Å; G26-V29 PolarHBondContact O-N 3.47Å; G26-D46 CarbonylContact C-O 3.47Å; G26-D46 VanDerWaalsContact CA-O 3.27Å; G26-D46 WeakPolarHBondContact CA-O 3.26Å; G26-I48 PolarHBondContact N-O 3.29Å
27	A	96.4	Very high	96.3	Very high	82 Å²	82	52 Å²	52	68%	0.678	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.6	-171.7	0	0	0	0	0	114.5	D46	A27-D46 HydrophobicContact CB-CB 4.2Å; A27-D46 PolarHBondContact N-O 2.93Å
28	Q	96.9	Very high	96.8	Very high	36 Å²	36	49.3 Å²	49.3	17%	0.168	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-1.3	178.2	-67.1	-64.8	-33.3	0	0	113.1	G26 R40 R41 S42 D46	G26-Q28 PolarHBondContact O-N 3.32Å; G26-Q28 VanDerWaalsContact O-N 3.08Å; Q28-R40 HydrophobicContact CB-CG 3.66Å; Q28-R40 CarbonylContact O-C 3.48Å; Q28-R40 WeakPolarHBondContact O-CA 3.34Å; Q28-R41 WeakPolarHBondContact O-CG 3.36Å; Q28-R41 PolarHBondContact O-N 3.21Å; Q28-S42 VanDerWaalsContact CD-OG 3.31Å; Q28-S42 PolarHBondContact NE2-OG 2.69Å; Q28-S42 PolarHBondContact OE1-OG 3.07Å; Q28-D46 HydrophobicContact CB-CB 4.11Å; Q28-D46 HydrophobicContact CG-CB 3.85Å; Q28-D46 PolarHBondContact N-O 3.22Å
29	V	97.4	Very high	96.9	Very high	14 Å²	14	53.5 Å²	53.5	9%	0.085	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.2	-177.9	178.6	0	0	0	0	110.8	T25 G26 L31 A38 V49	T25-V29 HydrophobicContact CG2-CG1 4.18Å; G26-V29 WeakPolarHBondContact O-CB 3.45Å; G26-V29 PolarHBondContact O-N 3.47Å; V29-L31 HydrophobicContact CG1-CD2 3.74Å; V29-L31 HydrophobicContact CG1-CG 4.19Å; V29-A38 HydrophobicContact CG1-CB 4.3Å; V29-V49 HydrophobicContact CB-CG1 4.29Å; V29-V49 HydrophobicContact CG1-CG1 3.62Å; V29-V49 HydrophobicContact CG2-CG1 3.75Å
30	H	97.5	Very high	96.9	Very high	101 Å²	101	52.8 Å²	52.8	47%	0.468	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.6	163.5	-174.4	52.8	0	0	0	108.6	R39 R41	H30-R39 PolarHBondContact N-O 3.45Å; H30-R39 PolarHBondContact O-N 3.37Å; H30-R41 HydrophobicContact CB-CG 4.11Å; H30-R41 PolarHBondContact ND1-NH2 3.02Å
31	L	98.1	Very high	96.6	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.141	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	149.3	173	-58	-176.5	0	0	0	110.2	F20 T25 V29 R35 T37 A38	F20-L31 HydrophobicContact CB-CD1 3.92Å; F20-L31 HydrophobicContact CB-CD2 3.85Å; F20-L31 HydrophobicContact CD2-CD2 3.91Å; F20-L31 HydrophobicContact CG-CD2 4.02Å; T25-L31 HydrophobicContact CG2-CD1 3.93Å; T25-L31 HydrophobicContact CG2-CG 4.28Å; V29-L31 HydrophobicContact CG1-CD2 3.74Å; V29-L31 HydrophobicContact CG1-CG 4.19Å; L31-R35 HydrophobicContact CD1-CB 4.36Å; L31-R35 HydrophobicContact CD1-CG 4.17Å; L31-T37 VanDerWaalsContact CA-O 3.29Å; L31-T37 WeakPolarHBondContact CA-O 3.32Å; L31-A38 HydrophobicContact CD2-CB 3.66Å
32	D	97.3	Very high	96	Very high	56 Å²	56	61.8 Å²	61.8	30%	0.299	32%	0.32	S	S	.	.			trans	-75.9	172	165.8	65.4	-3.7	0	0	0	111.9	Q34 R35 S36 T37	D32-Q34 PolarHBondContact O-N 3.2Å; D32-R35 PolarHBondContact O-N 3.16Å; D32-R35 VanDerWaalsContact OD1-CA 3.26Å; D32-R35 WeakPolarHBondContact OD1-CA 3.46Å; D32-R35 PolarHBondContact OD1-N 3.23Å; D32-S36 PolarHBondContact OD1-N 3.11Å; D32-S36 PolarHBondContact OD2-OG 2.88Å; D32-T37 PolarHBondContact N-O 2.71Å; D32-T37 VanDerWaalsContact N-O 3.16Å; D32-T37 PolarHBondContact OD1-N 2.72Å; D32-T37 WeakPolarHBondContact OD2-CB 3.3Å; D32-T37 PolarHBondContact OD2-N 2.83Å; D32-T37 PolarHBondContact OD2-OG1 2.94Å
33	D	95.6	Very high	95.6	Very high	160 Å²	160	62.8 Å²	62.8	86%	0.856	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.3	-176.1	-62	-23.7	0	0	0	112.7	R35	D33-R35 VanDerWaalsContact C-N 3.27Å
34	Q	95.3	Very high	95.1	Very high	148 Å²	148	59.8 Å²	59.8	69%	0.692	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.3	178.1	-58.4	-53.3	-55	0	0	112.7	D32 S36	D32-Q34 PolarHBondContact O-N 3.2Å; Q34-S36 PolarHBondContact O-N 2.74Å; Q34-S36 VanDerWaalsContact O-N 3.16Å
35	R	96.7	Very high	94.8	Very high	113 Å²	113	62 Å²	62	43%	0.426	31%	0.312	S	S	.	.	S	Bend	trans	51.8	30.1	-171.3	-56.3	176.4	-68.1	175.4	2.8	112	S19 F20 L31 D32 D33	S19-R35 CarbonylContact C-O 3.58Å; S19-R35 WeakPolarHBondContact CB-O 3.19Å; F20-R35 HydrophobicContact CB-CB 4.5Å; F20-R35 WeakPolarHBondContact CB-O 3.25Å; F20-R35 VanDerWaalsContact CD2-O 3.26Å; F20-R35 WeakPolarHBondContact CD2-O 3.17Å; F20-R35 PolarHBondContact N-O 3.49Å; L31-R35 HydrophobicContact CD1-CB 4.36Å; L31-R35 HydrophobicContact CD1-CG 4.17Å; D32-R35 PolarHBondContact O-N 3.16Å; D32-R35 VanDerWaalsContact OD1-CA 3.26Å; D32-R35 WeakPolarHBondContact OD1-CA 3.46Å; D32-R35 PolarHBondContact OD1-N 3.23Å; D33-R35 VanDerWaalsContact C-N 3.27Å
36	S	96.6	Very high	94.6	Very high	30 Å²	30	62.3 Å²	62.3	21%	0.21	31%	0.313	C	S	.	.			trans	-96.8	-19	174.1	59.6	0	0	0	0	111.4	F20 D32 Q34 E170 L171	F20-S36 WeakPolarHBondContact CE2-O 3.24Å; D32-S36 PolarHBondContact OD1-N 3.11Å; D32-S36 PolarHBondContact OD2-OG 2.88Å; Q34-S36 PolarHBondContact O-N 2.74Å; Q34-S36 VanDerWaalsContact O-N 3.16Å; S36-E170 CarbonylContact O-C 3.41Å; S36-E170 VanDerWaalsContact O-CA 3.24Å; S36-E170 WeakPolarHBondContact O-CA 3.18Å; S36-L171 PolarHBondContact O-N 2.98Å
37	T	98.1	Very high	94.6	Very high	30 Å²	30	62.2 Å²	62.2	18%	0.184	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.8	178.1	-53	0	0	0	0	111.1	L31 D32 L66 I169	L31-T37 VanDerWaalsContact CA-O 3.29Å; L31-T37 WeakPolarHBondContact CA-O 3.32Å; D32-T37 PolarHBondContact N-O 2.71Å; D32-T37 VanDerWaalsContact N-O 3.16Å; D32-T37 PolarHBondContact OD1-N 2.72Å; D32-T37 WeakPolarHBondContact OD2-CB 3.3Å; D32-T37 PolarHBondContact OD2-N 2.83Å; D32-T37 PolarHBondContact OD2-OG1 2.94Å; T37-L66 HydrophobicContact CG2-CD1 3.56Å; T37-I169 WeakPolarHBondContact CA-O 3.27Å
38	A	98.1	Very high	94.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.1	170.8	0	0	0	0	0	110	F20 V29 L31 V49 V162 A168 I169	F20-A38 HydrophobicContact CD2-CB 3.9Å; F20-A38 HydrophobicContact CE1-CB 4.21Å; F20-A38 HydrophobicContact CE2-CB 3.56Å; F20-A38 VanDerWaalsContact CE2-N 3.34Å; F20-A38 HydrophobicContact CG-CB 4.38Å; F20-A38 HydrophobicContact CZ-CB 3.75Å; V29-A38 HydrophobicContact CG1-CB 4.3Å; L31-A38 HydrophobicContact CD2-CB 3.66Å; A38-V49 HydrophobicContact CB-CG1 4.05Å; A38-V162 HydrophobicContact CB-CG2 4.48Å; A38-A168 VanDerWaalsContact O-CA 3.28Å; A38-A168 WeakPolarHBondContact O-CA 3.01Å; A38-I169 HydrophobicContact CB-CG1 4.18Å; A38-I169 PolarHBondContact N-O 3.35Å; A38-I169 PolarHBondContact O-N 3.48Å
39	R	97.5	Very high	94.8	Very high	101 Å²	101	56.6 Å²	56.6	38%	0.381	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.3	179.8	-173.3	175.5	-164.8	113.5	-12.3	110.8	H30 R67 K167 A168	H30-R39 PolarHBondContact N-O 3.45Å; H30-R39 PolarHBondContact O-N 3.37Å; R39-R67 VanDerWaalsContact NH2-CD 3.29Å; R39-K167 WeakPolarHBondContact CA-O 3.14Å; R39-A168 HydrophobicContact CB-CB 4.17Å; R39-A168 HydrophobicContact CG-CB 4.02Å
40	R	95.7	Very high	94.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127	171.5	-167.1	-178.2	65.7	-130.1	1.3	109.6	Q28 S42 T43 F44 H45 E69 V162 Y163 G164 T166 K167	Q28-R40 HydrophobicContact CB-CG 3.66Å; Q28-R40 CarbonylContact O-C 3.48Å; Q28-R40 WeakPolarHBondContact O-CA 3.34Å; R40-S42 WeakPolarHBondContact CD-O 3.4Å; R40-S42 WeakPolarHBondContact CG-O 3.44Å; R40-S42 PolarHBondContact NE-O 2.94Å; R40-T43 PolarHBondContact NE-O 3.2Å; R40-T43 PolarHBondContact NH2-O 3.17Å; R40-F44 VanDerWaalsContact CZ-CA 3.45Å; R40-F44 PolarHBondContact NH1-O 3.37Å; R40-H45 WeakPolarHBondContact CD-O 3.26Å; R40-E69 IonicContact NH2-OE2 3.3Å; R40-E69 PolarHBondContact NH2-OE2 3.26Å; R40-V162 HydrophobicContact CB-CG1 4Å; R40-V162 WeakPolarHBondContact CD-O 3.47Å; R40-V162 PolarHBondContact NH1-O 3.37Å; R40-Y163 VanDerWaalsContact NH1-C 3.28Å; R40-G164 PolarHBondContact NH1-O 2.79Å; R40-G164 VanDerWaalsContact NH1-O 3.13Å; R40-G164 PolarHBondContact NH2-O 2.98Å; R40-T166 PolarHBondContact NH1-O 3.13Å; R40-T166 VanDerWaalsContact NH1-O 3.08Å; R40-K167 HydrophobicContact CB-CD 4.35Å; R40-K167 PolarHBondContact N-O 2.78Å; R40-K167 WeakPolarHBondContact O-CD 3.32Å; R40-K167 WeakPolarHBondContact O-CE 3.46Å
41	R	92.6	Very high	94.9	Very high	163 Å²	163	51.1 Å²	51.1	62%	0.615	25%	0.245	S	C	*	.			trans	-69.6	-60.3	-177.9	-69.6	179	-179	-115.8	0.7	111.3	Q28 H30 K167	Q28-R41 WeakPolarHBondContact O-CG 3.36Å; Q28-R41 PolarHBondContact O-N 3.21Å; H30-R41 HydrophobicContact CB-CG 4.11Å; H30-R41 PolarHBondContact ND1-NH2 3.02Å; R41-K167 PolarHBondContact O-NZ 3.41Å
42	S	84.7	Confident	94.8	Very high	55 Å²	55	51.3 Å²	51.3	39%	0.385	25%	0.245	S	C	.	.	S	Bend	trans	-138.3	-177.9	-177.7	68.8	0	0	0	0	110.9	Q28 R40	Q28-S42 VanDerWaalsContact CD-OG 3.31Å; Q28-S42 PolarHBondContact NE2-OG 2.69Å; Q28-S42 PolarHBondContact OE1-OG 3.07Å; R40-S42 WeakPolarHBondContact CD-O 3.4Å; R40-S42 WeakPolarHBondContact CG-O 3.44Å; R40-S42 PolarHBondContact NE-O 2.94Å
43	T	86.8	Confident	94.7	Very high	48 Å²	48	50.4 Å²	50.4	29%	0.294	24%	0.238	S	C	.	.	S	Bend	trans	54.6	-160	178.4	81.4	0	0	0	0	114.1	R40	R40-T43 PolarHBondContact NE-O 3.2Å; R40-T43 PolarHBondContact NH2-O 3.17Å
44	F	85.1	Confident	94.8	Very high	67 Å²	67	45.1 Å²	45.1	29%	0.294	21%	0.212	S	C	.	.	S	Bend	trans	-122.8	-0.5	-178.1	64.4	-86.2	0	0	0	114.4	R40 W72 F96 Y163 G164	R40-F44 VanDerWaalsContact CZ-CA 3.45Å; R40-F44 PolarHBondContact NH1-O 3.37Å; F44-W72 HydrophobicContact CB-CD2 3.58Å; F44-W72 HydrophobicContact CB-CE3 3.56Å; F44-W72 HydrophobicContact CB-CG 4.05Å; F44-W72 HydrophobicContact CB-CH2 4.31Å; F44-W72 HydrophobicContact CB-CZ2 4.31Å; F44-W72 HydrophobicContact CB-CZ3 3.94Å; F44-W72 HydrophobicContact CD1-CD2 4.45Å; F44-W72 AromaticContact CD1-CE3 3.69Å; F44-W72 HydrophobicContact CD1-CE3 3.69Å; F44-W72 AromaticContact CD1-CH2 3.58Å; F44-W72 HydrophobicContact CD1-CH2 3.58Å; F44-W72 HydrophobicContact CD1-CZ2 4.34Å; F44-W72 AromaticContact CD1-CZ3 3.2Å; F44-W72 HydrophobicContact CD1-CZ3 3.2Å; F44-W72 HydrophobicContact CE1-CH2 4.4Å; F44-W72 AromaticContact CE1-CZ3 3.92Å; F44-W72 HydrophobicContact CE1-CZ3 3.92Å; F44-W72 HydrophobicContact CG-CD2 4.32Å; F44-W72 AromaticContact CG-CE3 3.79Å; F44-W72 HydrophobicContact CG-CE3 3.79Å; F44-W72 HydrophobicContact CG-CH2 4.36Å; F44-W72 AromaticContact CG-CZ3 3.82Å; F44-W72 HydrophobicContact CG-CZ3 3.82Å; F44-F96 HydrophobicContact CE2-CE1 4.3Å; F44-F96 HydrophobicContact CE2-CZ 4.09Å; F44-Y163 AromaticContact CD2-CE2 3.77Å; F44-Y163 HydrophobicContact CD2-CE2 3.77Å; F44-Y163 HydrophobicContact CE2-CE2 4.35Å; F44-Y163 WeakPolarHBondContact O-CD2 3.21Å; F44-G164 PolarHBondContact O-N 3.49Å
45	H	90.1	Very high	94.8	Very high	46 Å²	46	38.3 Å²	38.3	21%	0.213	18%	0.18	C	C	.	.			trans	-138.1	-171	-172.3	67.2	84.6	0	0	0	112.1	R40 G47 P95 F96	R40-H45 WeakPolarHBondContact CD-O 3.26Å; H45-G47 PolarHBondContact O-N 2.83Å; H45-P95 HydrophobicContact CB-CB 4.43Å; H45-F96 HydrophobicContact CB-CD1 3.98Å; H45-F96 HydrophobicContact CB-CE1 3.22Å; H45-F96 HydrophobicContact CB-CZ 3.72Å
46	D	94.1	Very high	94.6	Very high	29 Å²	29	40.9 Å²	40.9	16%	0.155	19%	0.19	C	C	.	.			trans	57.2	36.2	-173.7	-49.2	-35.5	0	0	0	112.4	G26 A27 Q28 P95	G26-D46 CarbonylContact C-O 3.47Å; G26-D46 VanDerWaalsContact CA-O 3.27Å; G26-D46 WeakPolarHBondContact CA-O 3.26Å; A27-D46 HydrophobicContact CB-CB 4.2Å; A27-D46 PolarHBondContact N-O 2.93Å; Q28-D46 HydrophobicContact CB-CB 4.11Å; Q28-D46 HydrophobicContact CG-CB 3.85Å; Q28-D46 PolarHBondContact N-O 3.22Å; D46-P95 PolarHBondContact N-O 2.71Å; D46-P95 WeakPolarHBondContact OD1-CA 3.48Å; D46-P95 WeakPolarHBondContact OD1-CB 3.34Å
47	G	96.6	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.			trans	-100.7	13	-174.4	0	0	0	0	0	114.5	H45 V162	H45-G47 PolarHBondContact O-N 2.83Å; G47-V162 PolarHBondContact O-N 2.85Å
48	I	98.3	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.8	-172.8	-50.8	-172	0	0	0	110.8	T25 G26 F50 L93 P94 V97 L101 V159 M160	T25-I48 CarbonylContact C-O 3.58Å; T25-I48 WeakPolarHBondContact CA-O 3.44Å; G26-I48 PolarHBondContact N-O 3.29Å; I48-F50 HydrophobicContact CG2-CE1 4.39Å; I48-F50 HydrophobicContact CG2-CE2 3.78Å; I48-F50 HydrophobicContact CG2-CZ 3.65Å; I48-L93 HydrophobicContact CG2-CD2 4.44Å; I48-P94 HydrophobicContact CD1-CG 4.2Å; I48-P94 WeakPolarHBondContact CD1-O 3.42Å; I48-V97 HydrophobicContact CB-CG2 4.31Å; I48-V97 HydrophobicContact CD1-CG2 3.85Å; I48-V97 HydrophobicContact CG1-CG2 3.79Å; I48-V97 HydrophobicContact CG2-CG2 3.84Å; I48-L101 HydrophobicContact CD1-CD2 4.34Å; I48-L101 HydrophobicContact CG2-CD2 4.3Å; I48-V159 HydrophobicContact CG2-CG2 3.96Å; I48-M160 CarbonylContact C-O 3.54Å; I48-M160 WeakPolarHBondContact CA-O 3.45Å
49	V	98.4	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.3	174	-63.8	0	0	0	0	110.6	F20 T25 V29 A38 V159 M160 I169	F20-V49 HydrophobicContact CD1-CB 3.87Å; F20-V49 HydrophobicContact CD1-CG2 3.7Å; F20-V49 HydrophobicContact CE1-CB 4.22Å; F20-V49 HydrophobicContact CE1-CG2 3.53Å; F20-V49 HydrophobicContact CZ-CG2 4.49Å; T25-V49 HydrophobicContact CG2-CG1 4.21Å; V29-V49 HydrophobicContact CB-CG1 4.29Å; V29-V49 HydrophobicContact CG1-CG1 3.62Å; V29-V49 HydrophobicContact CG2-CG1 3.75Å; A38-V49 HydrophobicContact CB-CG1 4.05Å; V49-V159 WeakPolarHBondContact O-CA 3.4Å; V49-M160 HydrophobicContact CG2-CB 3.8Å; V49-M160 HydrophobicContact CG2-CE 4.28Å; V49-M160 PolarHBondContact N-O 2.83Å; V49-M160 PolarHBondContact O-N 3.11Å; V49-I169 HydrophobicContact CG2-CD1 4.5Å
50	F	98.6	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.2	178.8	-53.6	-92	0	0	0	111.5	F20 H21 A24 I48 T81 P85 L93 L101 A158 V159	F20-F50 CarbonylContact C-O 3.58Å; F20-F50 WeakPolarHBondContact CA-O 3.49Å; H21-F50 HydrophobicContact CB-CB 4.45Å; H21-F50 PolarHBondContact N-O 2.96Å; A24-F50 HydrophobicContact CB-CD2 3.92Å; A24-F50 HydrophobicContact CB-CE2 4.27Å; A24-F50 VanDerWaalsContact O-CD2 3.25Å; A24-F50 WeakPolarHBondContact O-CD2 3.34Å; I48-F50 HydrophobicContact CG2-CE1 4.39Å; I48-F50 HydrophobicContact CG2-CE2 3.78Å; I48-F50 HydrophobicContact CG2-CZ 3.65Å; F50-T81 HydrophobicContact CD1-CG2 3.72Å; F50-T81 HydrophobicContact CE1-CG2 3.79Å; F50-P85 HydrophobicContact CB-CB 4.01Å; F50-P85 HydrophobicContact CB-CG 3.54Å; F50-P85 HydrophobicContact CD1-CG 4.39Å; F50-P85 HydrophobicContact CD2-CB 4.5Å; F50-P85 HydrophobicContact CG-CB 4.3Å; F50-P85 HydrophobicContact CG-CG 3.95Å; F50-L93 HydrophobicContact CE2-CD1 4.14Å; F50-L93 HydrophobicContact CE2-CD2 3.73Å; F50-L93 HydrophobicContact CZ-CD2 3.75Å; F50-L101 HydrophobicContact CE1-CD2 4.16Å; F50-L101 HydrophobicContact CZ-CD2 3.98Å; F50-A158 CarbonylContact C-O 3.59Å; F50-A158 WeakPolarHBondContact CA-O 3.33Å; F50-V159 HydrophobicContact CD1-CB 3.82Å; F50-V159 HydrophobicContact CD1-CG2 3.75Å; F50-V159 HydrophobicContact CE1-CB 3.93Å; F50-V159 HydrophobicContact CE1-CG2 3.47Å; F50-V159 VanDerWaalsContact CE1-CG2 3.47Å; F50-V159 HydrophobicContact CZ-CG2 4.14Å
51	S	98	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	149.5	164.4	55.5	0	0	0	0	111.1	S19 R53 A158	S19-S51 CarbonylContact O-C 3.58Å; S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 WeakPolarHBondContact CB-O 3.35Å; S51-R53 PolarHBondContact O-N 3.01Å; S51-R53 PolarHBondContact OG-O 2.86Å; S51-A158 PolarHBondContact N-O 3.28Å; S51-A158 PolarHBondContact OG-N 3.4Å
52	Q	96.8	Very high	94.1	Very high	32 Å²	32	34 Å²	34	15%	0.15	18%	0.175	C	C	.	.	S	Bend	trans	-70.1	-26.9	178.4	93.4	-70.7	32.4	0	0	112.9	A17 S19	A17-Q52 PolarHBondContact O-NE2 2.75Å; S19-Q52 VanDerWaalsContact N-OE1 3.14Å; S19-Q52 PolarHBondContact O-N 2.65Å; S19-Q52 PolarHBondContact O-OE1 2.89Å; S19-Q52 VanDerWaalsContact O-OE1 3.11Å; S19-Q52 WeakPolarHBondContact OG-CB 3.43Å; S19-Q52 WeakPolarHBondContact OG-CG 3.43Å
53	R	95.9	Very high	94.6	Very high	37 Å²	37	31.3 Å²	31.3	14%	0.14	16%	0.156	C	C	.	.	S	Bend	trans	-127.7	165	179.5	69	164.5	176.1	75.6	-1	112.2	E16 L18 S51 E59 W157	E16-R53 VanDerWaalsContact O-CZ 3.3Å; E16-R53 PolarHBondContact O-NE 3.48Å; E16-R53 PolarHBondContact O-NH2 2.84Å; L18-R53 HydrophobicContact CD2-CG 3.84Å; S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 WeakPolarHBondContact CB-O 3.35Å; S51-R53 PolarHBondContact O-N 3.01Å; S51-R53 PolarHBondContact OG-O 2.86Å; R53-E59 IonicContact CZ-OE1 2.82Å; R53-E59 VanDerWaalsContact CZ-OE1 3.23Å; R53-E59 IonicContact NH1-OE1 3.81Å; R53-E59 PolarHBondContact NH1-OE1 2.83Å; R53-E59 IonicContact NH1-OE2 3.99Å; R53-E59 PolarHBondContact NH1-OE2 2.93Å; R53-E59 IonicContact NH2-OE1 3.07Å; R53-E59 PolarHBondContact NH2-OE1 2.93Å; R53-W157 VanDerWaalsContact C-CD1 3.42Å
54	P	96.9	Very high	95.1	Very high	48 Å²	48	33.4 Å²	33.4	31%	0.312	16%	0.159	S	C	.	.			trans	-59.4	150.6	168.7	-21.2	30.9	0	0	0	112.9	P155 L156 W157	P54-P155 HydrophobicContact CB-CB 3.85Å; P54-P155 HydrophobicContact CG-CB 3.98Å; P54-L156 CarbonylContact C-O 3.53Å; P54-L156 WeakPolarHBondContact CA-O 3.39Å; P54-W157 HydrophobicContact CG-CD2 4.39Å; P54-W157 HydrophobicContact CG-CH2 4.16Å; P54-W157 HydrophobicContact CG-CZ2 3.61Å
55	V	95.3	Very high	95.7	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.03	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-116	134	176.7	-179.2	0	0	0	0	108.6	L18 E59 V61 F80 L156 A158	L18-V55 HydrophobicContact CD1-CG2 4.34Å; L18-V55 HydrophobicContact CD2-CG2 4.06Å; V55-E59 HydrophobicContact CG1-CB 3.73Å; V55-E59 HydrophobicContact CG1-CG 3.92Å; V55-V61 HydrophobicContact CG1-CG2 3.84Å; V55-V61 HydrophobicContact CG2-CG2 4.15Å; V55-F80 HydrophobicContact CB-CE1 4.19Å; V55-F80 HydrophobicContact CG1-CE1 3.98Å; V55-L156 PolarHBondContact N-O 3.09Å; V55-A158 HydrophobicContact CG2-CB 4.12Å
56	W	93.3	Very high	96	Very high	168 Å²	168	31.2 Å²	31.2	64%	0.636	15%	0.151	S	C	*	.			trans	-83	149.6	-177.9	-62.4	74.3	0	0	0	111.3	R15 G58 E59	R15-W56 VanDerWaalsContact NH1-CD1 3.31Å; W56-G58 PolarHBondContact O-N 3.03Å; W56-E59 HydrophobicContact CB-CB 4.27Å; W56-E59 VanDerWaalsContact CD1-OE2 3.24Å; W56-E59 PolarHBondContact N-OE2 3.16Å; W56-E59 WeakPolarHBondContact O-CB 3.44Å; W56-E59 PolarHBondContact O-N 2.94Å
57	P	93.8	Very high	95.9	Very high	49 Å²	49	35.1 Å²	35.1	32%	0.318	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	126.7	167.8	-25.2	35	0	0	0	111	V127 R129 V151	P57-V127 CarbonylContact C-O 3.56Å; P57-V127 WeakPolarHBondContact CA-O 3.23Å; P57-R129 HydrophobicContact CB-CG 4.3Å; P57-V151 HydrophobicContact CG-CB 4.05Å; P57-V151 HydrophobicContact CG-CG1 4.35Å
58	G	93.1	Very high	95.6	Very high	35 Å²	35	38.1 Å²	38.1	36%	0.361	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-22.5	-175	0	0	0	0	0	114.3	W56 R60 V127	W56-G58 PolarHBondContact O-N 3.03Å; G58-R60 PolarHBondContact O-N 2.99Å; G58-R60 PolarHBondContact O-NH1 3.26Å; G58-V127 PolarHBondContact N-O 2.93Å
59	E	93.9	Very high	95.1	Very high	26 Å²	26	40.6 Å²	40.6	12%	0.121	19%	0.189	C	C	.	.			trans	-65.3	132.9	176.7	-175.2	178.3	165.9	0	0	110.4	R15 R53 V55 W56 W126	R15-E59 IonicContact NH1-OE2 3.87Å; R53-E59 IonicContact CZ-OE1 2.82Å; R53-E59 VanDerWaalsContact CZ-OE1 3.23Å; R53-E59 IonicContact NH1-OE1 3.81Å; R53-E59 PolarHBondContact NH1-OE1 2.83Å; R53-E59 IonicContact NH1-OE2 3.99Å; R53-E59 PolarHBondContact NH1-OE2 2.93Å; R53-E59 IonicContact NH2-OE1 3.07Å; R53-E59 PolarHBondContact NH2-OE1 2.93Å; V55-E59 HydrophobicContact CG1-CB 3.73Å; V55-E59 HydrophobicContact CG1-CG 3.92Å; W56-E59 HydrophobicContact CB-CB 4.27Å; W56-E59 VanDerWaalsContact CD1-OE2 3.24Å; W56-E59 PolarHBondContact N-OE2 3.16Å; W56-E59 WeakPolarHBondContact O-CB 3.44Å; W56-E59 PolarHBondContact O-N 2.94Å; E59-W126 VanDerWaalsContact O-CB 3.25Å; E59-W126 WeakPolarHBondContact O-CB 3.48Å
60	R	93.8	Very high	94.4	Very high	67 Å²	67	49.5 Å²	49.5	25%	0.253	23%	0.231	S	C	.	.			trans	-90.9	121.1	-176.1	-63.6	-72.6	-167.1	-97.5	8.1	109.5	G58 W126 T175 D180	G58-R60 PolarHBondContact O-N 2.99Å; G58-R60 PolarHBondContact O-NH1 3.26Å; R60-W126 VanDerWaalsContact NH1-NE1 3.15Å; R60-T175 HydrophobicContact CB-CG2 3.38Å; R60-T175 HydrophobicContact CG-CG2 4.19Å; R60-D180 IonicContact CZ-OD2 3.61Å; R60-D180 IonicContact NE-OD2 3.28Å; R60-D180 PolarHBondContact NE-OD2 3.26Å; R60-D180 VanDerWaalsContact NE-OD2 3.17Å; R60-D180 IonicContact NH2-OD2 2.79Å; R60-D180 PolarHBondContact NH2-OD2 3.25Å
61	V	96.7	Very high	93.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.2	171.4	-173.7	0	0	0	0	107.9	L18 V55 F80 C124 F125 A158 L171	L18-V61 HydrophobicContact CD1-CB 4.4Å; L18-V61 HydrophobicContact CD1-CG1 4.1Å; L18-V61 HydrophobicContact CD1-CG2 4.04Å; V55-V61 HydrophobicContact CG1-CG2 3.84Å; V55-V61 HydrophobicContact CG2-CG2 4.15Å; V61-F80 HydrophobicContact CG2-CE1 4.37Å; V61-F80 HydrophobicContact CG2-CZ 4.47Å; V61-C124 CarbonylContact O-C 3.48Å; V61-C124 VanDerWaalsContact O-CA 3.3Å; V61-C124 WeakPolarHBondContact O-CA 3.29Å; V61-F125 HydrophobicContact CB-CD1 4.02Å; V61-F125 HydrophobicContact CB-CD2 4.43Å; V61-F125 HydrophobicContact CB-CE1 3.54Å; V61-F125 HydrophobicContact CB-CE2 4.01Å; V61-F125 HydrophobicContact CB-CG 4.44Å; V61-F125 HydrophobicContact CB-CZ 3.56Å; V61-F125 HydrophobicContact CG1-CD1 4.32Å; V61-F125 HydrophobicContact CG1-CE1 3.43Å; V61-F125 VanDerWaalsContact CG1-CE1 3.43Å; V61-F125 HydrophobicContact CG1-CE2 4.39Å; V61-F125 HydrophobicContact CG1-CZ 3.49Å; V61-F125 VanDerWaalsContact CG1-CZ 3.49Å; V61-F125 HydrophobicContact CG2-CE2 4.16Å; V61-F125 HydrophobicContact CG2-CZ 4.06Å; V61-F125 PolarHBondContact N-O 3.41Å; V61-F125 WeakPolarHBondContact O-CD1 3.42Å; V61-F125 PolarHBondContact O-N 2.73Å; V61-A158 HydrophobicContact CG1-CB 4.17Å; V61-A158 HydrophobicContact CG2-CB 4Å; V61-L171 HydrophobicContact CG1-CD1 3.67Å
62	A	96.1	Very high	93.2	Very high	1 Å²	1	58 Å²	58	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.9	-178.5	0	0	0	0	0	111.8	V123 L172 T175	A62-V123 CarbonylContact C-O 3.23Å; A62-V123 WeakPolarHBondContact CA-O 3.3Å; A62-L172 HydrophobicContact CB-CB 3.95Å; A62-L172 HydrophobicContact CB-CD1 4.23Å; A62-L172 HydrophobicContact CB-CG 4.43Å; A62-L172 PolarHBondContact O-N 3.02Å; A62-T175 HydrophobicContact CB-CG2 3.96Å
63	L	96.3	Very high	92.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.4	-178.8	-58	169.4	0	0	0	109.3	L76 V78 V122 V123 F125 M160 I169 E170 L171	L63-L76 HydrophobicContact CD1-CD2 4.19Å; L63-V78 HydrophobicContact CD1-CG1 3.99Å; L63-V122 CarbonylContact O-C 3.49Å; L63-V122 VanDerWaalsContact O-CA 3.29Å; L63-V122 WeakPolarHBondContact O-CA 3.27Å; L63-V123 PolarHBondContact N-O 2.88Å; L63-V123 PolarHBondContact O-N 3.23Å; L63-F125 HydrophobicContact CD1-CD1 4.19Å; L63-F125 HydrophobicContact CD1-CE1 3.67Å; L63-F125 HydrophobicContact CG-CE1 4.17Å; L63-M160 HydrophobicContact CD1-CG 3.73Å; L63-M160 HydrophobicContact CD2-CE 4.12Å; L63-M160 HydrophobicContact CD2-CG 4.49Å; L63-I169 HydrophobicContact CD2-CD1 4.33Å; L63-E170 CarbonylContact C-O 3.59Å; L63-E170 WeakPolarHBondContact CA-O 3.41Å; L63-L171 HydrophobicContact CD2-CB 4.33Å; L63-L171 HydrophobicContact CD2-CD1 3.32Å; L63-L171 HydrophobicContact CD2-CG 4.4Å; L63-L171 HydrophobicContact CG-CD1 4.39Å
64	R	97.1	Very high	92.1	Very high	91 Å²	91	61.7 Å²	61.7	34%	0.343	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.7	163.6	-175.9	-178.4	-67.4	133.8	-3.8	109.5	L66 N121 V122 I169 E170 L172	R64-L66 HydrophobicContact CG-CD2 4.08Å; R64-L66 PolarHBondContact O-N 2.97Å; R64-N121 WeakPolarHBondContact CA-O 3.18Å; R64-V122 HydrophobicContact CB-CG2 4.47Å; R64-I169 CarbonylContact O-C 3.58Å; R64-I169 VanDerWaalsContact O-CA 3.3Å; R64-I169 WeakPolarHBondContact O-CA 3.14Å; R64-E170 HydrophobicContact CB-CB 4.27Å; R64-E170 IonicContact CZ-OE2 2.94Å; R64-E170 PolarHBondContact N-O 2.82Å; R64-E170 IonicContact NE-OE2 2.71Å; R64-E170 IonicContact NH1-OE1 3.08Å; R64-E170 IonicContact NH1-OE2 3.37Å; R64-E170 PolarHBondContact NH1-OE2 3.21Å; R64-E170 PolarHBondContact O-N 2.75Å; R64-L172 HydrophobicContact CB-CD1 4.4Å; R64-L172 HydrophobicContact CB-CD2 4.17Å; R64-L172 HydrophobicContact CB-CG 4.48Å
65	V	96.8	Very high	91.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	115.7	171	-179.4	0	0	0	0	107.9	H68 R118 A119 G120 N121 V123	V65-H68 WeakPolarHBondContact CG1-NE2 3.26Å; V65-R118 WeakPolarHBondContact CB-O 3.41Å; V65-A119 CarbonylContact O-C 3.52Å; V65-A119 WeakPolarHBondContact O-CA 3.47Å; V65-G120 PolarHBondContact O-N 3.14Å; V65-N121 PolarHBondContact N-O 3.25Å; V65-V123 HydrophobicContact CG2-CG2 4.38Å
66	L	96.2	Very high	91.9	Very high	67 Å²	67	59.2 Å²	59.2	35%	0.351	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-43.3	-174.6	-63.9	-177.9	0	0	0	112.4	T37 R64 A168 E170	T37-L66 HydrophobicContact CG2-CD1 3.56Å; R64-L66 HydrophobicContact CG-CD2 4.08Å; R64-L66 PolarHBondContact O-N 2.97Å; L66-A168 HydrophobicContact CB-CB 3.94Å; L66-A168 HydrophobicContact CD1-CB 4.35Å; L66-A168 PolarHBondContact N-O 3.48Å; L66-E170 HydrophobicContact CD1-CB 3.99Å; L66-E170 HydrophobicContact CD2-CB 4.06Å; L66-E170 HydrophobicContact CG-CB 4.01Å
67	R	92.2	Very high	92.1	Very high	111 Å²	111	52.6 Å²	52.6	42%	0.419	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.7	-171.2	-171.7	177.4	-176.2	-154.1	4.7	112.2	R39 K167 A168	R39-R67 VanDerWaalsContact NH2-CD 3.29Å; R67-K167 HydrophobicContact CB-CB 4.17Å; R67-K167 HydrophobicContact CG-CB 4.08Å; R67-K167 HydrophobicContact CG-CG 4.45Å; R67-K167 WeakPolarHBondContact O-CB 3.45Å; R67-K167 PolarHBondContact O-N 2.91Å; R67-A168 HydrophobicContact CB-CB 3.98Å; R67-A168 PolarHBondContact N-O 2.85Å; R67-A168 PolarHBondContact O-N 2.65Å
68	H	89.4	Confident	92.3	Very high	64 Å²	64	50.3 Å²	50.3	30%	0.296	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	158.1	169.1	-71.8	-169.1	0	0	0	112.8	V65 V117 R118 T165	V65-H68 WeakPolarHBondContact CG1-NE2 3.26Å; H68-V117 VanDerWaalsContact CE1-C 3.47Å; H68-V117 PolarHBondContact CE1-O 2.85Å; H68-V117 VanDerWaalsContact NE2-C 3.34Å; H68-V117 PolarHBondContact NE2-O 2.78Å; H68-V117 VanDerWaalsContact NE2-O 3.11Å; H68-R118 WeakPolarHBondContact CE1-CA 3.33Å; H68-R118 WeakPolarHBondContact NE2-CA 3.41Å; H68-T165 CarbonylContact C-O 3.49Å; H68-T165 WeakPolarHBondContact CA-O 3.21Å
69	E	88.1	Confident	92.5	Very high	51 Å²	51	48.6 Å²	48.6	24%	0.238	26%	0.256	C	S	.	.			trans	-128.9	119.2	170.9	-172.9	165.8	-110	0	0	108.5	R40 W72 T165 K167	R40-E69 IonicContact NH2-OE2 3.3Å; R40-E69 PolarHBondContact NH2-OE2 3.26Å; E69-W72 PolarHBondContact OE2-NE1 2.7Å; E69-T165 PolarHBondContact N-O 2.95Å; E69-T165 WeakPolarHBondContact O-CA 3.23Å; E69-K167 HydrophobicContact CB-CB 4.29Å; E69-K167 HydrophobicContact CB-CD 4.27Å; E69-K167 VanDerWaalsContact CD-NZ 3.28Å; E69-K167 VanDerWaalsContact OE1-CE 3.31Å; E69-K167 WeakPolarHBondContact OE1-CE 3.49Å; E69-K167 IonicContact OE1-NZ 3.07Å; E69-K167 PolarHBondContact OE1-NZ 3.44Å; E69-K167 IonicContact OE2-NZ 2.69Å; E69-K167 PolarHBondContact OE2-NZ 3.26Å
70	E	85.4	Confident	92.8	Very high	188 Å²	188	47.4 Å²	47.4	88%	0.879	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	162.7	175	-63.5	-177.9	177.9	0	0	110.9
71	G	83.8	Confident	93	Very high	81 Å²	81	44.2 Å²	44.2	84%	0.835	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	0	178.2	0	0	0	0	0	115.2
72	W	86.9	Confident	93	Very high	96 Å²	96	47.5 Å²	47.5	36%	0.364	25%	0.25	S	S	.	.			trans	-111.1	154.9	171.3	-59.9	116.5	0	0	0	111.6	F44 E69 T165	F44-W72 HydrophobicContact CB-CD2 3.58Å; F44-W72 HydrophobicContact CB-CE3 3.56Å; F44-W72 HydrophobicContact CB-CG 4.05Å; F44-W72 HydrophobicContact CB-CH2 4.31Å; F44-W72 HydrophobicContact CB-CZ2 4.31Å; F44-W72 HydrophobicContact CB-CZ3 3.94Å; F44-W72 HydrophobicContact CD1-CD2 4.45Å; F44-W72 AromaticContact CD1-CE3 3.69Å; F44-W72 HydrophobicContact CD1-CE3 3.69Å; F44-W72 AromaticContact CD1-CH2 3.58Å; F44-W72 HydrophobicContact CD1-CH2 3.58Å; F44-W72 HydrophobicContact CD1-CZ2 4.34Å; F44-W72 AromaticContact CD1-CZ3 3.2Å; F44-W72 HydrophobicContact CD1-CZ3 3.2Å; F44-W72 HydrophobicContact CE1-CH2 4.4Å; F44-W72 AromaticContact CE1-CZ3 3.92Å; F44-W72 HydrophobicContact CE1-CZ3 3.92Å; F44-W72 HydrophobicContact CG-CD2 4.32Å; F44-W72 AromaticContact CG-CE3 3.79Å; F44-W72 HydrophobicContact CG-CE3 3.79Å; F44-W72 HydrophobicContact CG-CH2 4.36Å; F44-W72 AromaticContact CG-CZ3 3.82Å; F44-W72 HydrophobicContact CG-CZ3 3.82Å; E69-W72 PolarHBondContact OE2-NE1 2.7Å; W72-T165 WeakPolarHBondContact O-CG2 3.16Å
73	C	83.7	Confident	93	Very high	109 Å²	109	49.7 Å²	49.7	74%	0.736	26%	0.261	S	S	*	.			trans	-101.7	149.5	172.3	-65.7	0	0	0	0	111.2	G164	C73-G164 WeakPolarHBondContact O-CA 3.47Å
74	G	86.6	Confident	93	Very high	38 Å²	38	52.5 Å²	52.5	39%	0.392	28%	0.277	S	S	.	.			trans	86.9	-169.2	-179.7	0	0	0	0	0	113.8	T165	G74-T165 WeakPolarHBondContact O-CB 3.48Å; G74-T165 WeakPolarHBondContact O-CG2 3.42Å; G74-T165 PolarHBondContact O-N 3.01Å; G74-T165 PolarHBondContact O-OG1 3.43Å
75	G	90.3	Very high	93	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.021	26%	0.261	C	S	.	.			trans	-167.4	-171.5	-174.1	0	0	0	0	0	113.6	R77 L111 Y163	G75-R77 PolarHBondContact O-N 3.21Å; G75-L111 WeakPolarHBondContact O-CD1 3.31Å; G75-Y163 CarbonylContact C-O 3.51Å; G75-Y163 WeakPolarHBondContact O-CD1 3.44Å
76	L	96	Very high	93	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.285	C	S	.	.			trans	-52.2	130.2	-178.5	-177.5	60.6	0	0	0	112.1	L63 V78 L112 V117 M160 D161 T166 I169	L63-L76 HydrophobicContact CD1-CD2 4.19Å; L76-V78 HydrophobicContact CD2-CG1 4.21Å; L76-V78 HydrophobicContact CG-CG1 4Å; L76-L112 HydrophobicContact CB-CD1 4.13Å; L76-L112 HydrophobicContact CD2-CD1 3.8Å; L76-L112 HydrophobicContact CG-CD1 3.97Å; L76-L112 WeakPolarHBondContact O-CB 3.37Å; L76-L112 PolarHBondContact O-N 2.78Å; L76-V117 HydrophobicContact CB-CG1 3.5Å; L76-V117 HydrophobicContact CD2-CG1 4.41Å; L76-M160 HydrophobicContact CD1-CB 4.41Å; L76-D161 WeakPolarHBondContact CD1-O 3.44Å; L76-T166 HydrophobicContact CB-CG2 4.2Å; L76-T166 PolarHBondContact N-OG1 3.45Å; L76-I169 HydrophobicContact CD1-CD1 4.16Å; L76-I169 HydrophobicContact CD1-CG2 4.23Å; L76-I169 HydrophobicContact CD2-CG2 4.04Å
77	R	97.6	Very high	92.9	Very high	29 Å²	29	55.7 Å²	55.7	11%	0.109	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143	168	-51.4	166.7	177.4	142.6	-9.6	108.8	G75 A110 L111 M160 D161	G75-R77 PolarHBondContact O-N 3.21Å; R77-A110 VanDerWaalsContact CA-O 3.26Å; R77-A110 WeakPolarHBondContact CA-O 3.28Å; R77-L111 HydrophobicContact CG-CB 4.41Å; R77-L111 HydrophobicContact CG-CD1 4.16Å; R77-M160 WeakPolarHBondContact O-CA 3.46Å; R77-D161 HydrophobicContact CB-CB 3.84Å; R77-D161 HydrophobicContact CG-CB 4.26Å; R77-D161 IonicContact CZ-OD2 3.57Å; R77-D161 PolarHBondContact N-O 2.87Å; R77-D161 IonicContact NH1-OD2 2.79Å; R77-D161 PolarHBondContact NH1-OD2 3.27Å; R77-D161 PolarHBondContact O-N 3.47Å
78	V	98.3	Very high	93	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.1	178.9	-58.3	0	0	0	0	110.3	L63 L76 A109 A110 L112 F125 L145 V159 M160	L63-V78 HydrophobicContact CD1-CG1 3.99Å; L76-V78 HydrophobicContact CD2-CG1 4.21Å; L76-V78 HydrophobicContact CG-CG1 4Å; V78-A109 CarbonylContact O-C 3.42Å; V78-A109 VanDerWaalsContact O-CA 3.26Å; V78-A109 WeakPolarHBondContact O-CA 3.29Å; V78-A109 WeakPolarHBondContact O-CB 3.41Å; V78-A110 PolarHBondContact N-O 3.26Å; V78-A110 PolarHBondContact O-N 3.48Å; V78-L112 HydrophobicContact CG1-CD1 3.92Å; V78-L112 HydrophobicContact CG1-CG 4.32Å; V78-L112 HydrophobicContact CG2-CD1 4.42Å; V78-L112 HydrophobicContact CG2-CD2 3.75Å; V78-L112 HydrophobicContact CG2-CG 4.07Å; V78-F125 HydrophobicContact CB-CD1 3.88Å; V78-F125 HydrophobicContact CB-CD2 4.16Å; V78-F125 HydrophobicContact CB-CE1 3.98Å; V78-F125 HydrophobicContact CB-CE2 4.25Å; V78-F125 HydrophobicContact CB-CG 3.96Å; V78-F125 HydrophobicContact CB-CZ 4.14Å; V78-F125 HydrophobicContact CG1-CD1 4.02Å; V78-F125 HydrophobicContact CG1-CE1 4.05Å; V78-F125 HydrophobicContact CG2-CB 4.03Å; V78-F125 HydrophobicContact CG2-CD1 4.15Å; V78-F125 HydrophobicContact CG2-CD2 4.25Å; V78-F125 HydrophobicContact CG2-CG 3.88Å; V78-L145 HydrophobicContact CG2-CD1 4.1Å; V78-V159 CarbonylContact C-O 3.46Å; V78-M160 HydrophobicContact CG1-CG 4.17Å
79	G	98.3	Very high	93.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177	-166.1	-174.9	0	0	0	0	0	114.3	W108 F125 V159	G79-W108 CarbonylContact C-O 3.21Å; G79-W108 WeakPolarHBondContact CA-O 3.29Å; G79-F125 WeakPolarHBondContact O-CE2 3.42Å; G79-V159 PolarHBondContact N-O 3.06Å; G79-V159 PolarHBondContact O-N 2.86Å
80	F	98.5	Very high	93.5	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.4	176.7	-65.3	-80.2	0	0	0	111.2	V55 V61 W108 F125 V127 L133 V149 L156 W157 A158	V55-F80 HydrophobicContact CB-CE1 4.19Å; V55-F80 HydrophobicContact CG1-CE1 3.98Å; V61-F80 HydrophobicContact CG2-CE1 4.37Å; V61-F80 HydrophobicContact CG2-CZ 4.47Å; F80-W108 PolarHBondContact N-O 3.08Å; F80-W108 PolarHBondContact O-N 3.21Å; F80-F125 HydrophobicContact CE1-CE2 4.16Å; F80-F125 AromaticContact CE2-CD2 3.84Å; F80-F125 HydrophobicContact CE2-CD2 3.84Å; F80-F125 HydrophobicContact CE2-CE2 4.01Å; F80-F125 AromaticContact CZ-CD2 3.78Å; F80-F125 HydrophobicContact CZ-CD2 3.78Å; F80-F125 AromaticContact CZ-CE2 3.71Å; F80-F125 HydrophobicContact CZ-CE2 3.71Å; F80-V127 HydrophobicContact CD2-CB 3.83Å; F80-V127 HydrophobicContact CD2-CG1 3.92Å; F80-V127 HydrophobicContact CE1-CG1 4.47Å; F80-V127 HydrophobicContact CE2-CB 3.66Å; F80-V127 HydrophobicContact CE2-CG1 3.82Å; F80-V127 HydrophobicContact CG-CG1 4.29Å; F80-V127 HydrophobicContact CZ-CB 4.37Å; F80-V127 HydrophobicContact CZ-CG1 4.13Å; F80-L133 HydrophobicContact CD2-CD1 3.87Å; F80-L133 HydrophobicContact CE2-CD1 3.5Å; F80-L133 VanDerWaalsContact CE2-CD1 3.5Å; F80-V149 HydrophobicContact CB-CG1 4.26Å; F80-L156 HydrophobicContact CB-CB 4.48Å; F80-L156 HydrophobicContact CB-CD1 4.38Å; F80-L156 HydrophobicContact CB-CD2 4.33Å; F80-L156 HydrophobicContact CD1-CB 4.34Å; F80-W157 CarbonylContact C-O 3.44Å; F80-W157 VanDerWaalsContact CA-O 3.24Å; F80-W157 WeakPolarHBondContact CA-O 3.44Å; F80-A158 HydrophobicContact CE1-CB 4.44Å
81	T	98.2	Very high	93.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.6	176	-173.5	0	0	0	0	111.1	F50 L83 P106 T107 L156 W157 V159	F50-T81 HydrophobicContact CD1-CG2 3.72Å; F50-T81 HydrophobicContact CE1-CG2 3.79Å; T81-L83 HydrophobicContact CG2-CB 4.19Å; T81-L83 WeakPolarHBondContact OG1-CB 3.24Å; T81-L83 WeakPolarHBondContact OG1-CG 3.06Å; T81-L83 PolarHBondContact OG1-N 3.36Å; T81-P106 WeakPolarHBondContact CA-O 3.39Å; T81-P106 PolarHBondContact OG1-O 2.86Å; T81-T107 VanDerWaalsContact CB-OG1 3.32Å; T81-T107 WeakPolarHBondContact CB-OG1 3.2Å; T81-T107 PolarHBondContact OG1-OG1 2.89Å; T81-L156 CarbonylContact O-C 3.5Å; T81-L156 WeakPolarHBondContact O-CA 3.47Å; T81-W157 HydrophobicContact CG2-CB 4.03Å; T81-W157 PolarHBondContact N-O 3.27Å; T81-W157 PolarHBondContact O-N 3.22Å; T81-V159 HydrophobicContact CG2-CB 4.36Å
82	R	97.1	Very high	94.3	Very high	69 Å²	69	47.6 Å²	47.6	26%	0.26	29%	0.289	S	S	.	.			trans	-93.9	-1	166	-67.6	177.6	178.6	-153	-9.7	113.2	D84 P106 W108 L150 Q152 A154 L156	R82-D84 PolarHBondContact O-N 3.39Å; R82-P106 HydrophobicContact CB-CB 4.08Å; R82-P106 HydrophobicContact CB-CG 4.29Å; R82-P106 HydrophobicContact CG-CB 4.36Å; R82-P106 PolarHBondContact N-O 2.95Å; R82-W108 HydrophobicContact CG-CH2 4.25Å; R82-W108 HydrophobicContact CG-CZ3 4.04Å; R82-L150 PolarHBondContact NE-O 3.46Å; R82-L150 VanDerWaalsContact NH2-C 3.31Å; R82-L150 PolarHBondContact NH2-O 3.24Å; R82-Q152 PolarHBondContact NH2-O 3.39Å; R82-A154 HydrophobicContact CG-CB 4.24Å; R82-L156 HydrophobicContact CG-CD2 3.79Å
83	L	96.2	Very high	94.7	Very high	46 Å²	46	44.1 Å²	44.1	24%	0.241	28%	0.278	C	S	.	.	S	Bend	trans	-67.5	121.3	171.3	-64.5	177.7	0	0	0	108.7	T81 P85 V88 L101	T81-L83 HydrophobicContact CG2-CB 4.19Å; T81-L83 WeakPolarHBondContact OG1-CB 3.24Å; T81-L83 WeakPolarHBondContact OG1-CG 3.06Å; T81-L83 PolarHBondContact OG1-N 3.36Å; L83-P85 VanDerWaalsContact O-CD 3.23Å; L83-P85 WeakPolarHBondContact O-CD 3.25Å; L83-V88 HydrophobicContact CB-CG2 3.93Å; L83-V88 HydrophobicContact CD1-CG2 4.31Å; L83-L101 HydrophobicContact CD1-CD1 3.81Å; L83-L101 HydrophobicContact CD1-CG 4.49Å
84	D	96.6	Very high	95.3	Very high	60 Å²	60	39.6 Å²	39.6	32%	0.321	25%	0.247	S	C	.	.			trans	-70.8	114.6	168.5	-178.3	-8.8	0	0	0	108.7	R82 A86 Q87 V88 W157	R82-D84 PolarHBondContact O-N 3.39Å; D84-A86 PolarHBondContact O-N 2.99Å; D84-A86 VanDerWaalsContact O-N 3.08Å; D84-A86 WeakPolarHBondContact OD1-CB 3.44Å; D84-A86 PolarHBondContact OD1-N 3.04Å; D84-Q87 HydrophobicContact CB-CB 4.45Å; D84-Q87 HydrophobicContact CB-CG 4.13Å; D84-Q87 PolarHBondContact O-N 2.87Å; D84-V88 PolarHBondContact O-N 3.32Å; D84-W157 HydrophobicContact CB-CH2 3.86Å; D84-W157 HydrophobicContact CB-CZ2 3.98Å; D84-W157 HydrophobicContact CB-CZ3 4.4Å
85	P	96.7	Very high	95.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-58.2	-23	180	-24.5	36.7	0	0	0	113.4	H21 A24 F50 L83 Q87 V88 W157	H21-P85 HydrophobicContact CB-CB 3.9Å; H21-P85 PolarHBondContact CE1-O 2.85Å; A24-P85 HydrophobicContact CB-CB 3.85Å; A24-P85 WeakPolarHBondContact CB-O 3.03Å; F50-P85 HydrophobicContact CB-CB 4.01Å; F50-P85 HydrophobicContact CB-CG 3.54Å; F50-P85 HydrophobicContact CD1-CG 4.39Å; F50-P85 HydrophobicContact CD2-CB 4.5Å; F50-P85 HydrophobicContact CG-CB 4.3Å; F50-P85 HydrophobicContact CG-CG 3.95Å; L83-P85 VanDerWaalsContact O-CD 3.23Å; L83-P85 WeakPolarHBondContact O-CD 3.25Å; P85-Q87 PolarHBondContact O-N 3.26Å; P85-V88 PolarHBondContact O-N 2.87Å; P85-W157 VanDerWaalsContact CD-CE2 3.5Å; P85-W157 VanDerWaalsContact CD-NE1 3.25Å; P85-W157 HydrophobicContact CG-CB 4.2Å; P85-W157 VanDerWaalsContact CG-CD1 3.46Å; P85-W157 HydrophobicContact CG-CD2 4.46Å; P85-W157 HydrophobicContact CG-CG 3.81Å
86	A	96.5	Very high	95.9	Very high	63 Å²	63	42.1 Å²	42.1	52%	0.521	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-68.2	-22.3	174.6	0	0	0	0	0	112.7	D84	D84-A86 PolarHBondContact O-N 2.99Å; D84-A86 VanDerWaalsContact O-N 3.08Å; D84-A86 WeakPolarHBondContact OD1-CB 3.44Å; D84-A86 PolarHBondContact OD1-N 3.04Å
87	Q	95.5	Very high	95.9	Very high	160 Å²	160	42.2 Å²	42.2	75%	0.748	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-101.3	-4.2	179.6	-56.9	-57.8	-53.2	0	0	113	D84 P85	D84-Q87 HydrophobicContact CB-CB 4.45Å; D84-Q87 HydrophobicContact CB-CG 4.13Å; D84-Q87 PolarHBondContact O-N 2.87Å; P85-Q87 PolarHBondContact O-N 3.26Å
88	V	94.5	Very high	95.5	Very high	25 Å²	25	42 Å²	42	15%	0.152	26%	0.255	C	S	.	.			trans	-95.1	113.2	-180	178.8	0	0	0	0	109.8	A24 L83 D84 P85 L93	A24-V88 HydrophobicContact CB-CB 4.31Å; L83-V88 HydrophobicContact CB-CG2 3.93Å; L83-V88 HydrophobicContact CD1-CG2 4.31Å; D84-V88 PolarHBondContact O-N 3.32Å; P85-V88 PolarHBondContact O-N 2.87Å; V88-L93 HydrophobicContact CG1-CD2 3.61Å; V88-L93 HydrophobicContact CG1-CG 4Å
89	A	94.1	Very high	95.2	Very high	50 Å²	50	45.2 Å²	45.2	41%	0.413	28%	0.276	S	S	.	.			trans	-72.3	131.7	170.2	0	0	0	0	0	110.3	S91 C92	A89-S91 PolarHBondContact O-N 2.85Å; A89-S91 VanDerWaalsContact O-N 3.14Å; A89-C92 HydrophobicContact CB-CB 4.47Å; A89-C92 WeakPolarHBondContact O-CB 3.2Å; A89-C92 PolarHBondContact O-N 2.91Å
90	A	92.6	Very high	95.1	Very high	45 Å²	45	46.8 Å²	46.8	37%	0.372	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-54.1	-35.4	179.2	0	0	0	0	0	113.4	T25 C92 L93	T25-A90 WeakPolarHBondContact O-CB 3.33Å; A90-C92 PolarHBondContact O-N 2.89Å; A90-L93 WeakPolarHBondContact O-CB 3.32Å; A90-L93 PolarHBondContact O-N 2.82Å
91	S	92.9	Very high	94.9	Very high	114 Å²	114	47.1 Å²	47.1	80%	0.797	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-68.2	-15.5	177.6	56.3	0	0	0	0	114.3	A89	A89-S91 PolarHBondContact O-N 2.85Å; A89-S91 VanDerWaalsContact O-N 3.14Å
92	C	93.5	Very high	94.9	Very high	92 Å²	92	49.9 Å²	49.9	62%	0.622	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-95.8	-2.9	177.9	-63.3	0	0	0	0	112.5	A89 A90	A89-C92 HydrophobicContact CB-CB 4.47Å; A89-C92 WeakPolarHBondContact O-CB 3.2Å; A89-C92 PolarHBondContact O-N 2.91Å; A90-C92 PolarHBondContact O-N 2.89Å
93	L	96.1	Very high	94.8	Very high	23 Å²	23	54 Å²	54	12%	0.12	32%	0.321	C	S	.	.			trans	-73.2	131.4	176.6	-71.3	173.1	0	0	0	110.2	I48 F50 V88 A90	I48-L93 HydrophobicContact CG2-CD2 4.44Å; F50-L93 HydrophobicContact CE2-CD1 4.14Å; F50-L93 HydrophobicContact CE2-CD2 3.73Å; F50-L93 HydrophobicContact CZ-CD2 3.75Å; V88-L93 HydrophobicContact CG1-CD2 3.61Å; V88-L93 HydrophobicContact CG1-CG 4Å; A90-L93 WeakPolarHBondContact O-CB 3.32Å; A90-L93 PolarHBondContact O-N 2.82Å
94	P	96.3	Very high	94.7	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.084	34%	0.339	C	S	.	.			trans	-74.6	170.2	174.5	33.3	-35.7	0	0	0	111.1	I48 F96 D100 L101	I48-P94 HydrophobicContact CD1-CG 4.2Å; I48-P94 WeakPolarHBondContact CD1-O 3.42Å; P94-F96 VanDerWaalsContact C-N 3.27Å; P94-F96 PolarHBondContact O-N 2.84Å; P94-D100 HydrophobicContact CB-CB 3.5Å; P94-D100 HydrophobicContact CG-CB 3.8Å; P94-L101 HydrophobicContact CG-CB 3.86Å; P94-L101 HydrophobicContact CG-CD1 4.18Å
95	P	93.6	Very high	94.6	Very high	50 Å²	50	56.2 Å²	56.2	33%	0.325	33%	0.331	S	S	.	.	S	Bend	trans	-63.1	-28.5	179.8	-25.7	35.9	0	0	0	115.5	H45 D46	H45-P95 HydrophobicContact CB-CB 4.43Å; D46-P95 PolarHBondContact N-O 2.71Å; D46-P95 WeakPolarHBondContact OD1-CA 3.48Å; D46-P95 WeakPolarHBondContact OD1-CB 3.34Å
96	F	94.9	Very high	94.6	Very high	44 Å²	44	59 Å²	59	19%	0.193	35%	0.349	C	S	.	.			trans	-133.1	148.1	-174.9	-52.7	-63.4	0	0	0	112.7	F44 H45 P94 C98 D100 L101 Y163	F44-F96 HydrophobicContact CE2-CE1 4.3Å; F44-F96 HydrophobicContact CE2-CZ 4.09Å; H45-F96 HydrophobicContact CB-CD1 3.98Å; H45-F96 HydrophobicContact CB-CE1 3.22Å; H45-F96 HydrophobicContact CB-CZ 3.72Å; P94-F96 VanDerWaalsContact C-N 3.27Å; P94-F96 PolarHBondContact O-N 2.84Å; F96-C98 WeakPolarHBondContact CB-O 3.43Å; F96-D100 VanDerWaalsContact CD2-OD2 3.27Å; F96-D100 WeakPolarHBondContact CD2-OD2 3.5Å; F96-D100 PolarHBondContact N-OD2 3.23Å; F96-D100 WeakPolarHBondContact O-CB 3.42Å; F96-L101 PolarHBondContact O-N 2.77Å; F96-Y163 AromaticContact CD1-CD2 3.81Å; F96-Y163 HydrophobicContact CD1-CD2 3.81Å; F96-Y163 AromaticContact CD1-CE2 3.85Å; F96-Y163 HydrophobicContact CD1-CE2 3.85Å; F96-Y163 AromaticContact CE1-CD2 3.72Å; F96-Y163 HydrophobicContact CE1-CD2 3.72Å; F96-Y163 AromaticContact CE1-CE2 3.42Å; F96-Y163 HydrophobicContact CE1-CE2 3.42Å; F96-Y163 VanDerWaalsContact CE1-CE2 3.42Å; F96-Y163 HydrophobicContact CZ-CE2 4.44Å
97	V	95.8	Very high	94.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	33%	0.325	C	S	.	.	I	π-helix	trans	-70	-43.3	167.7	178.3	0	0	0	0	111	I48 L101 E102 T107 A109 V159 D161	I48-V97 HydrophobicContact CB-CG2 4.31Å; I48-V97 HydrophobicContact CD1-CG2 3.85Å; I48-V97 HydrophobicContact CG1-CG2 3.79Å; I48-V97 HydrophobicContact CG2-CG2 3.84Å; V97-L101 HydrophobicContact CG1-CB 4.49Å; V97-L101 HydrophobicContact CG1-CD2 4.48Å; V97-L101 HydrophobicContact CG2-CD2 4.39Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 PolarHBondContact O-N 3.42Å; V97-E102 PolarHBondContact O-N 2.86Å; V97-T107 HydrophobicContact CG1-CG2 3.94Å; V97-A109 HydrophobicContact CB-CB 4.45Å; V97-A109 HydrophobicContact CG1-CB 3.39Å; V97-V159 HydrophobicContact CG1-CG1 4.46Å; V97-V159 HydrophobicContact CG1-CG2 4.42Å; V97-V159 HydrophobicContact CG2-CG2 3.86Å; V97-D161 HydrophobicContact CB-CB 4.12Å; V97-D161 HydrophobicContact CG2-CB 3.65Å; V97-D161 PolarHBondContact N-OD2 3.11Å
98	C	90.6	Very high	94.8	Very high	26 Å²	26	49.7 Å²	49.7	18%	0.176	29%	0.294	C	S	.	.	I	π-helix	trans	-118.8	128.1	175.9	-57.2	0	0	0	0	109.7	F96 E102 A109	F96-C98 WeakPolarHBondContact CB-O 3.43Å; C98-E102 PolarHBondContact SG-OE2 2.77Å; C98-A109 PolarHBondContact SG-O 3.36Å
99	P	92	Very high	94.9	Very high	66 Å²	66	48.7 Å²	48.7	43%	0.429	29%	0.288	S	S	.	.	I	π-helix	cis	-83.6	-20.9	0.4	32.9	-33.2	0	0	0	114.3	L101 E102 E103	P99-L101 PolarHBondContact O-N 2.79Å; P99-E102 PolarHBondContact O-N 2.88Å; P99-E103 HydrophobicContact CB-CG 4.33Å; P99-E103 WeakPolarHBondContact O-CG 3.2Å; P99-E103 PolarHBondContact O-N 2.91Å
100	D	95	Very high	95.1	Very high	34 Å²	34	47.1 Å²	47.1	18%	0.182	28%	0.275	C	S	.	.	I	π-helix	trans	-58.2	-55.9	-158.9	-42.3	-21.4	0	0	0	114.9	P94 F96 E102 E103 Q104	P94-D100 HydrophobicContact CB-CB 3.5Å; P94-D100 HydrophobicContact CG-CB 3.8Å; F96-D100 VanDerWaalsContact CD2-OD2 3.27Å; F96-D100 WeakPolarHBondContact CD2-OD2 3.5Å; F96-D100 PolarHBondContact N-OD2 3.23Å; F96-D100 WeakPolarHBondContact O-CB 3.42Å; D100-E102 VanDerWaalsContact C-N 3.32Å; D100-E102 PolarHBondContact O-N 2.85Å; D100-E103 PolarHBondContact O-N 2.99Å; D100-Q104 WeakPolarHBondContact O-CB 3.29Å; D100-Q104 VanDerWaalsContact O-CD 3.28Å; D100-Q104 WeakPolarHBondContact O-CG 3.41Å; D100-Q104 PolarHBondContact O-N 3.39Å; D100-Q104 VanDerWaalsContact O-N 3.17Å; D100-Q104 PolarHBondContact O-NE2 2.77Å
101	L	95.3	Very high	95.3	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	28%	0.28	C	S	.	.	I	π-helix	trans	-67.5	-35.8	-177.3	-170.6	61.4	0	0	0	111.7	I48 F50 L83 P94 F96 V97 P99 Q104 S105 T107 V159	I48-L101 HydrophobicContact CD1-CD2 4.34Å; I48-L101 HydrophobicContact CG2-CD2 4.3Å; F50-L101 HydrophobicContact CE1-CD2 4.16Å; F50-L101 HydrophobicContact CZ-CD2 3.98Å; L83-L101 HydrophobicContact CD1-CD1 3.81Å; L83-L101 HydrophobicContact CD1-CG 4.49Å; P94-L101 HydrophobicContact CG-CB 3.86Å; P94-L101 HydrophobicContact CG-CD1 4.18Å; F96-L101 PolarHBondContact O-N 2.77Å; V97-L101 HydrophobicContact CG1-CB 4.49Å; V97-L101 HydrophobicContact CG1-CD2 4.48Å; V97-L101 HydrophobicContact CG2-CD2 4.39Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 PolarHBondContact O-N 3.42Å; P99-L101 PolarHBondContact O-N 2.79Å; L101-Q104 PolarHBondContact O-N 3.02Å; L101-S105 WeakPolarHBondContact O-CB 3.44Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-OG 2.91Å; L101-T107 HydrophobicContact CD2-CG2 4.13Å; L101-T107 HydrophobicContact CG-CG2 4.15Å; L101-V159 HydrophobicContact CD2-CG2 4.36Å
102	E	96.5	Very high	95.4	Very high	58 Å²	58	44 Å²	44	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-38.1	176.8	172.8	160.6	-167.1	0	0	112.7	V97 C98 P99 D100 T107 R146	V97-E102 PolarHBondContact O-N 2.86Å; C98-E102 PolarHBondContact SG-OE2 2.77Å; P99-E102 PolarHBondContact O-N 2.88Å; D100-E102 VanDerWaalsContact C-N 3.32Å; D100-E102 PolarHBondContact O-N 2.85Å; E102-T107 WeakPolarHBondContact CG-O 3.23Å; E102-R146 VanDerWaalsContact CD-NH1 3.28Å; E102-R146 IonicContact OE1-CZ 3.67Å; E102-R146 VanDerWaalsContact OE1-CZ 3.25Å; E102-R146 IonicContact OE1-NH1 2.83Å; E102-R146 PolarHBondContact OE1-NH1 2.69Å; E102-R146 IonicContact OE1-NH2 2.79Å; E102-R146 PolarHBondContact OE1-NH2 3.48Å; E102-R146 IonicContact OE2-NH1 3.23Å; E102-R146 PolarHBondContact OE2-NH1 2.94Å; E102-R146 VanDerWaalsContact OE2-NH1 3.07Å
103	E	95.8	Very high	95.4	Very high	155 Å²	155	42.1 Å²	42.1	72%	0.724	23%	0.229	S	C	*	.	H	α-helix	trans	-74.7	-27.5	176.2	-71.4	178.8	179.6	0	0	112.9	P99 D100	P99-E103 HydrophobicContact CB-CG 4.33Å; P99-E103 WeakPolarHBondContact O-CG 3.2Å; P99-E103 PolarHBondContact O-N 2.91Å; D100-E103 PolarHBondContact O-N 2.99Å
104	Q	94.4	Very high	94.9	Very high	133 Å²	133	49.2 Å²	49.2	62%	0.621	26%	0.262	S	S	*	.	H	α-helix	trans	-92.9	-13.5	-175.3	-66.7	168	36.7	0	0	113.9	D100 L101	D100-Q104 WeakPolarHBondContact O-CB 3.29Å; D100-Q104 VanDerWaalsContact O-CD 3.28Å; D100-Q104 WeakPolarHBondContact O-CG 3.41Å; D100-Q104 PolarHBondContact O-N 3.39Å; D100-Q104 VanDerWaalsContact O-N 3.17Å; D100-Q104 PolarHBondContact O-NE2 2.77Å; L101-Q104 PolarHBondContact O-N 3.02Å
105	S	94.8	Very high	94.4	Very high	21 Å²	21	50.5 Å²	50.5	15%	0.147	28%	0.277	C	S	.	.	S	Bend	trans	-153.9	166.7	-169.7	74.4	0	0	0	0	113	L101 T107	L101-S105 WeakPolarHBondContact O-CB 3.44Å; L101-S105 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-OG 2.91Å; S105-T107 PolarHBondContact O-N 2.92Å; S105-T107 WeakPolarHBondContact OG-CB 3.46Å; S105-T107 PolarHBondContact OG-OG1 3.2Å
106	P	96.2	Very high	94.3	Very high	60 Å²	60	49.5 Å²	49.5	39%	0.39	27%	0.268	S	S	.	.	S	Bend	trans	-74.1	74.3	172.9	1.9	14.4	0	0	0	110.3	T81 R82 W108	T81-P106 WeakPolarHBondContact CA-O 3.39Å; T81-P106 PolarHBondContact OG1-O 2.86Å; R82-P106 HydrophobicContact CB-CB 4.08Å; R82-P106 HydrophobicContact CB-CG 4.29Å; R82-P106 HydrophobicContact CG-CB 4.36Å; R82-P106 PolarHBondContact N-O 2.95Å; P106-W108 HydrophobicContact CB-CH2 3.73Å; P106-W108 HydrophobicContact CB-CZ2 4.34Å; P106-W108 HydrophobicContact CB-CZ3 4.29Å; P106-W108 WeakPolarHBondContact O-CZ3 3.46Å
107	T	97.8	Very high	94.1	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.9	-176.7	-65.5	0	0	0	0	109.6	T81 V97 L101 E102 S105 V159	T81-T107 VanDerWaalsContact CB-OG1 3.32Å; T81-T107 WeakPolarHBondContact CB-OG1 3.2Å; T81-T107 PolarHBondContact OG1-OG1 2.89Å; V97-T107 HydrophobicContact CG1-CG2 3.94Å; L101-T107 HydrophobicContact CD2-CG2 4.13Å; L101-T107 HydrophobicContact CG-CG2 4.15Å; E102-T107 WeakPolarHBondContact CG-O 3.23Å; S105-T107 PolarHBondContact O-N 2.92Å; S105-T107 WeakPolarHBondContact OG-CB 3.46Å; S105-T107 PolarHBondContact OG-OG1 3.2Å; T107-V159 HydrophobicContact CG2-CG1 4.08Å
108	W	98	Very high	93.9	Very high	25 Å²	25	55.2 Å²	55.2	10%	0.095	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	104.9	-179.1	-57	-89.6	0	0	0	109.3	G79 F80 R82 P106 R146 D148 V149 L150 L156	G79-W108 CarbonylContact C-O 3.21Å; G79-W108 WeakPolarHBondContact CA-O 3.29Å; F80-W108 PolarHBondContact N-O 3.08Å; F80-W108 PolarHBondContact O-N 3.21Å; R82-W108 HydrophobicContact CG-CH2 4.25Å; R82-W108 HydrophobicContact CG-CZ3 4.04Å; P106-W108 HydrophobicContact CB-CH2 3.73Å; P106-W108 HydrophobicContact CB-CZ2 4.34Å; P106-W108 HydrophobicContact CB-CZ3 4.29Å; P106-W108 WeakPolarHBondContact O-CZ3 3.46Å; W108-R146 VanDerWaalsContact C-NH1 3.29Å; W108-R146 VanDerWaalsContact CA-NH1 3.32Å; W108-D148 PolarHBondContact NE1-O 3.19Å; W108-V149 HydrophobicContact CB-CB 4.48Å; W108-V149 HydrophobicContact CB-CG1 4.45Å; W108-V149 HydrophobicContact CB-CG2 3.84Å; W108-V149 HydrophobicContact CD2-CG1 4.17Å; W108-V149 HydrophobicContact CE3-CG1 3.92Å; W108-V149 HydrophobicContact CG-CB 4.41Å; W108-V149 HydrophobicContact CG-CG1 4.41Å; W108-V149 HydrophobicContact CG-CG2 4.21Å; W108-L150 HydrophobicContact CH2-CB 3.7Å; W108-L150 HydrophobicContact CH2-CD1 4.18Å; W108-L150 HydrophobicContact CH2-CG 4.06Å; W108-L150 HydrophobicContact CZ2-CB 3.69Å; W108-L150 HydrophobicContact CZ2-CD1 3.69Å; W108-L150 HydrophobicContact CZ2-CG 3.52Å; W108-L156 HydrophobicContact CZ3-CD2 4.2Å
109	A	97.8	Very high	94	Very high	4 Å²	4	57 Å²	57	3%	0.033	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	160.2	175.2	0	0	0	0	0	114.1	V78 V97 C98 R146	V78-A109 CarbonylContact O-C 3.42Å; V78-A109 VanDerWaalsContact O-CA 3.26Å; V78-A109 WeakPolarHBondContact O-CA 3.29Å; V78-A109 WeakPolarHBondContact O-CB 3.41Å; V97-A109 HydrophobicContact CB-CB 4.45Å; V97-A109 HydrophobicContact CG1-CB 3.39Å; C98-A109 PolarHBondContact SG-O 3.36Å; A109-R146 PolarHBondContact O-NH1 2.75Å
110	A	97.3	Very high	94.1	Very high	16 Å²	16	56.3 Å²	56.3	13%	0.132	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.3	177.9	0	0	0	0	0	110.3	R77 V78 L112 L133 L145 R146	R77-A110 VanDerWaalsContact CA-O 3.26Å; R77-A110 WeakPolarHBondContact CA-O 3.28Å; V78-A110 PolarHBondContact N-O 3.26Å; V78-A110 PolarHBondContact O-N 3.48Å; A110-L112 PolarHBondContact O-N 2.92Å; A110-L133 HydrophobicContact CB-CD2 4.44Å; A110-L145 HydrophobicContact CB-CB 3.75Å; A110-L145 HydrophobicContact CB-CD1 4.08Å; A110-L145 HydrophobicContact CB-CG 4.4Å; A110-R146 HydrophobicContact CB-CG 3.98Å
111	L	96.5	Very high	94.2	Very high	91 Å²	91	55.8 Å²	55.8	48%	0.476	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.3	169.7	177.6	62.9	0	0	0	109.2	G75 R77	G75-L111 WeakPolarHBondContact O-CD1 3.31Å; R77-L111 HydrophobicContact CG-CB 4.41Å; R77-L111 HydrophobicContact CG-CD1 4.16Å
112	L	95.8	Very high	94.2	Very high	4 Å²	4	56 Å²	56	2%	0.021	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-72.8	143.3	172.4	-68.5	176.2	0	0	0	110.7	L76 V78 A110 F116 V117 V123 A135 L145	L76-L112 HydrophobicContact CB-CD1 4.13Å; L76-L112 HydrophobicContact CD2-CD1 3.8Å; L76-L112 HydrophobicContact CG-CD1 3.97Å; L76-L112 WeakPolarHBondContact O-CB 3.37Å; L76-L112 PolarHBondContact O-N 2.78Å; V78-L112 HydrophobicContact CG1-CD1 3.92Å; V78-L112 HydrophobicContact CG1-CG 4.32Å; V78-L112 HydrophobicContact CG2-CD1 4.42Å; V78-L112 HydrophobicContact CG2-CD2 3.75Å; V78-L112 HydrophobicContact CG2-CG 4.07Å; A110-L112 PolarHBondContact O-N 2.92Å; L112-F116 HydrophobicContact CB-CB 4.29Å; L112-F116 HydrophobicContact CD2-CD2 4.33Å; L112-V117 HydrophobicContact CB-CG1 4.02Å; L112-V117 HydrophobicContact CD1-CG1 4.02Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.73Å; L112-V123 HydrophobicContact CD1-CG2 4.14Å; L112-V123 HydrophobicContact CD2-CG1 4.29Å; L112-A135 HydrophobicContact CD2-CB 3.72Å; L112-L145 HydrophobicContact CD2-CD1 3.93Å
113	P	92.8	Very high	94.2	Very high	51 Å²	51	53.2 Å²	53.2	33%	0.331	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-56.3	145.2	172	-21.7	31.3	0	0	0	111.3	G115 F116 L143	P113-G115 PolarHBondContact O-N 3.4Å; P113-F116 HydrophobicContact CB-CD1 4.03Å; P113-F116 HydrophobicContact CB-CE1 4.45Å; P113-F116 HydrophobicContact CG-CD1 4.11Å; P113-F116 HydrophobicContact CG-CE1 4.22Å; P113-F116 HydrophobicContact CG-CG 4.46Å; P113-F116 WeakPolarHBondContact O-CB 3.41Å; P113-F116 PolarHBondContact O-N 2.81Å; P113-L143 HydrophobicContact CG-CD2 3.48Å; P113-L143 VanDerWaalsContact CG-CD2 3.48Å
114	E	85.8	Confident	94.2	Very high	173 Å²	173	45.8 Å²	45.8	81%	0.808	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.4	-176.2	-169.7	-177.7	169.3	0	0	113.3	F116 V117	E114-F116 VanDerWaalsContact C-N 3.25Å; E114-F116 PolarHBondContact O-N 2.71Å; E114-V117 WeakPolarHBondContact O-CG2 3.43Å; E114-V117 PolarHBondContact O-N 2.9Å
115	G	86.2	Confident	94.4	Very high	40 Å²	40	39.5 Å²	39.5	41%	0.412	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20	177.3	0	0	0	0	0	115.2	P113 N121	P113-G115 PolarHBondContact O-N 3.4Å; G115-N121 PolarHBondContact O-ND2 2.88Å
116	F	90.9	Very high	94.5	Very high	29 Å²	29	39.2 Å²	39.2	13%	0.127	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-34.9	-178.1	-79.3	41.8	0	0	0	111.1	L112 P113 E114 R118 N121 V123 A135 V137 L143	L112-F116 HydrophobicContact CB-CB 4.29Å; L112-F116 HydrophobicContact CD2-CD2 4.33Å; P113-F116 HydrophobicContact CB-CD1 4.03Å; P113-F116 HydrophobicContact CB-CE1 4.45Å; P113-F116 HydrophobicContact CG-CD1 4.11Å; P113-F116 HydrophobicContact CG-CE1 4.22Å; P113-F116 HydrophobicContact CG-CG 4.46Å; P113-F116 WeakPolarHBondContact O-CB 3.41Å; P113-F116 PolarHBondContact O-N 2.81Å; E114-F116 VanDerWaalsContact C-N 3.25Å; E114-F116 PolarHBondContact O-N 2.71Å; F116-R118 PolarHBondContact O-N 2.72Å; F116-N121 WeakPolarHBondContact O-CB 3.26Å; F116-N121 PolarHBondContact O-ND2 3.24Å; F116-V123 HydrophobicContact CB-CG2 4.41Å; F116-A135 HydrophobicContact CE2-CB 4.33Å; F116-V137 HydrophobicContact CB-CB 4.18Å; F116-V137 HydrophobicContact CB-CG1 4.41Å; F116-V137 HydrophobicContact CD1-CB 4.22Å; F116-V137 HydrophobicContact CD1-CG1 3.62Å; F116-V137 HydrophobicContact CD2-CB 3.74Å; F116-V137 HydrophobicContact CD2-CG1 3.96Å; F116-V137 HydrophobicContact CE1-CG1 3.72Å; F116-V137 HydrophobicContact CE2-CB 4.11Å; F116-V137 HydrophobicContact CE2-CG1 4.06Å; F116-V137 HydrophobicContact CG-CB 3.79Å; F116-V137 HydrophobicContact CG-CG1 3.73Å; F116-V137 HydrophobicContact CZ-CB 4.49Å; F116-V137 HydrophobicContact CZ-CG1 3.93Å; F116-L143 HydrophobicContact CE2-CB 4.49Å; F116-L143 HydrophobicContact CZ-CB 4.13Å; F116-L143 HydrophobicContact CZ-CD2 4.24Å
117	V	90.5	Very high	94.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	21%	0.209	C	C	.	.			trans	-90.6	84.2	-179.6	-69.9	0	0	0	0	107.9	H68 L76 L112 E114	H68-V117 VanDerWaalsContact CE1-C 3.47Å; H68-V117 PolarHBondContact CE1-O 2.85Å; H68-V117 VanDerWaalsContact NE2-C 3.34Å; H68-V117 PolarHBondContact NE2-O 2.78Å; H68-V117 VanDerWaalsContact NE2-O 3.11Å; L76-V117 HydrophobicContact CB-CG1 3.5Å; L76-V117 HydrophobicContact CD2-CG1 4.41Å; L112-V117 HydrophobicContact CB-CG1 4.02Å; L112-V117 HydrophobicContact CD1-CG1 4.02Å; E114-V117 WeakPolarHBondContact O-CG2 3.43Å; E114-V117 PolarHBondContact O-N 2.9Å
118	R	91.8	Very high	94.5	Very high	160 Å²	160	37.9 Å²	37.9	60%	0.604	22%	0.217	S	C	*	.			trans	-128.9	141.8	168.5	-64.5	-176.9	174.8	175.3	-2.1	108.9	V65 H68 F116 G120 N121	V65-R118 WeakPolarHBondContact CB-O 3.41Å; H68-R118 WeakPolarHBondContact CE1-CA 3.33Å; H68-R118 WeakPolarHBondContact NE2-CA 3.41Å; F116-R118 PolarHBondContact O-N 2.72Å; R118-G120 PolarHBondContact O-N 2.91Å; R118-N121 WeakPolarHBondContact CB-ND2 3.49Å; R118-N121 PolarHBondContact N-ND2 2.8Å; R118-N121 WeakPolarHBondContact O-CB 3.34Å; R118-N121 PolarHBondContact O-N 2.95Å
119	A	93.9	Very high	94.4	Very high	62 Å²	62	47.1 Å²	47.1	51%	0.512	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	129.5	175.6	0	0	0	0	0	110.6	V65	V65-A119 CarbonylContact O-C 3.52Å; V65-A119 WeakPolarHBondContact O-CA 3.47Å
120	G	94.4	Very high	94.4	Very high	53 Å²	53	54.9 Å²	54.9	55%	0.546	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-20.1	-173.7	0	0	0	0	0	115	V65 R118	V65-G120 PolarHBondContact O-N 3.14Å; R118-G120 PolarHBondContact O-N 2.91Å
121	N	95.3	Very high	94.4	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.118	28%	0.275	C	S	.	.			trans	-64.2	142.4	176.5	-80.4	-12.6	0	0	0	111.3	R64 V65 G115 F116 R118 V137 N138	R64-N121 WeakPolarHBondContact CA-O 3.18Å; V65-N121 PolarHBondContact N-O 3.25Å; G115-N121 PolarHBondContact O-ND2 2.88Å; F116-N121 WeakPolarHBondContact O-CB 3.26Å; F116-N121 PolarHBondContact O-ND2 3.24Å; R118-N121 WeakPolarHBondContact CB-ND2 3.49Å; R118-N121 PolarHBondContact N-ND2 2.8Å; R118-N121 WeakPolarHBondContact O-CB 3.34Å; R118-N121 PolarHBondContact O-N 2.95Å; N121-V137 HydrophobicContact CB-CG2 3.69Å; N121-N138 PolarHBondContact OD1-ND2 3.33Å
122	V	96.3	Very high	94.4	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.1	168.1	179.5	0	0	0	0	108.7	L63 R64 V137 N138 L172 P176	L63-V122 CarbonylContact O-C 3.49Å; L63-V122 VanDerWaalsContact O-CA 3.29Å; L63-V122 WeakPolarHBondContact O-CA 3.27Å; R64-V122 HydrophobicContact CB-CG2 4.47Å; V122-V137 WeakPolarHBondContact O-CA 3.36Å; V122-N138 PolarHBondContact N-OD1 2.93Å; V122-N138 PolarHBondContact O-N 2.82Å; V122-L172 HydrophobicContact CG1-CD1 3.69Å; V122-L172 HydrophobicContact CG2-CD1 4.12Å; V122-P176 HydrophobicContact CG1-CG 4.02Å
123	V	96	Very high	94.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.8	172.7	-178.6	0	0	0	0	108.6	A62 L63 V65 L112 F116 A135 K136 V137	A62-V123 CarbonylContact C-O 3.23Å; A62-V123 WeakPolarHBondContact CA-O 3.3Å; L63-V123 PolarHBondContact N-O 2.88Å; L63-V123 PolarHBondContact O-N 3.23Å; V65-V123 HydrophobicContact CG2-CG2 4.38Å; L112-V123 HydrophobicContact CD1-CB 4.41Å; L112-V123 HydrophobicContact CD1-CG1 3.73Å; L112-V123 HydrophobicContact CD1-CG2 4.14Å; L112-V123 HydrophobicContact CD2-CG1 4.29Å; F116-V123 HydrophobicContact CB-CG2 4.41Å; V123-A135 HydrophobicContact CG1-CB 4.47Å; V123-K136 CarbonylContact C-O 3.57Å; V123-K136 WeakPolarHBondContact CA-O 3.41Å; V123-V137 HydrophobicContact CG2-CG2 4.36Å
124	C	96.4	Very high	94.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.1	170.4	-64.3	0	0	0	0	108.9	V61 A135 K136	V61-C124 CarbonylContact O-C 3.48Å; V61-C124 VanDerWaalsContact O-CA 3.3Å; V61-C124 WeakPolarHBondContact O-CA 3.29Å; C124-A135 CarbonylContact O-C 3.56Å; C124-A135 VanDerWaalsContact O-CA 3.26Å; C124-A135 WeakPolarHBondContact O-CA 3.37Å; C124-K136 HydrophobicContact CB-CG 3.91Å; C124-K136 PolarHBondContact N-O 2.89Å; C124-K136 PolarHBondContact O-N 3.22Å
125	F	97.8	Very high	95.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.8	175.1	71	-82.7	0	0	0	111.4	V61 L63 V78 G79 F80 L133 F134 A135 A158 M160	V61-F125 HydrophobicContact CB-CD1 4.02Å; V61-F125 HydrophobicContact CB-CD2 4.43Å; V61-F125 HydrophobicContact CB-CE1 3.54Å; V61-F125 HydrophobicContact CB-CE2 4.01Å; V61-F125 HydrophobicContact CB-CG 4.44Å; V61-F125 HydrophobicContact CB-CZ 3.56Å; V61-F125 HydrophobicContact CG1-CD1 4.32Å; V61-F125 HydrophobicContact CG1-CE1 3.43Å; V61-F125 VanDerWaalsContact CG1-CE1 3.43Å; V61-F125 HydrophobicContact CG1-CE2 4.39Å; V61-F125 HydrophobicContact CG1-CZ 3.49Å; V61-F125 VanDerWaalsContact CG1-CZ 3.49Å; V61-F125 HydrophobicContact CG2-CE2 4.16Å; V61-F125 HydrophobicContact CG2-CZ 4.06Å; V61-F125 PolarHBondContact N-O 3.41Å; V61-F125 WeakPolarHBondContact O-CD1 3.42Å; V61-F125 PolarHBondContact O-N 2.73Å; L63-F125 HydrophobicContact CD1-CD1 4.19Å; L63-F125 HydrophobicContact CD1-CE1 3.67Å; L63-F125 HydrophobicContact CG-CE1 4.17Å; V78-F125 HydrophobicContact CB-CD1 3.88Å; V78-F125 HydrophobicContact CB-CD2 4.16Å; V78-F125 HydrophobicContact CB-CE1 3.98Å; V78-F125 HydrophobicContact CB-CE2 4.25Å; V78-F125 HydrophobicContact CB-CG 3.96Å; V78-F125 HydrophobicContact CB-CZ 4.14Å; V78-F125 HydrophobicContact CG1-CD1 4.02Å; V78-F125 HydrophobicContact CG1-CE1 4.05Å; V78-F125 HydrophobicContact CG2-CB 4.03Å; V78-F125 HydrophobicContact CG2-CD1 4.15Å; V78-F125 HydrophobicContact CG2-CD2 4.25Å; V78-F125 HydrophobicContact CG2-CG 3.88Å; G79-F125 WeakPolarHBondContact O-CE2 3.42Å; F80-F125 HydrophobicContact CE1-CE2 4.16Å; F80-F125 AromaticContact CE2-CD2 3.84Å; F80-F125 HydrophobicContact CE2-CD2 3.84Å; F80-F125 HydrophobicContact CE2-CE2 4.01Å; F80-F125 AromaticContact CZ-CD2 3.78Å; F80-F125 HydrophobicContact CZ-CD2 3.78Å; F80-F125 AromaticContact CZ-CE2 3.71Å; F80-F125 HydrophobicContact CZ-CE2 3.71Å; F125-L133 HydrophobicContact CD2-CD1 4.1Å; F125-F134 CarbonylContact C-O 3.54Å; F125-F134 WeakPolarHBondContact CA-O 3.33Å; F125-F134 WeakPolarHBondContact CB-O 3.42Å; F125-A135 HydrophobicContact CB-CB 4Å; F125-A158 HydrophobicContact CE2-CB 4.31Å; F125-A158 HydrophobicContact CZ-CB 4Å; F125-M160 HydrophobicContact CE1-CG 4.35Å; F125-M160 HydrophobicContact CE1-SD 4.08Å; F125-M160 HydrophobicContact CZ-CG 4.3Å; F125-M160 HydrophobicContact CZ-SD 3.62Å
126	W	97.6	Very high	95.8	Very high	16 Å²	16	43.2 Å²	43.2	6%	0.061	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	159.3	-179.2	66.4	97.4	0	0	0	110.5	E59 R60 F134 K136 P142	E59-W126 VanDerWaalsContact O-CB 3.25Å; E59-W126 WeakPolarHBondContact O-CB 3.48Å; R60-W126 VanDerWaalsContact NH1-NE1 3.15Å; W126-F134 HydrophobicContact CD2-CB 3.92Å; W126-F134 AromaticContact CE2-CG 4Å; W126-F134 HydrophobicContact CE3-CB 4.26Å; W126-F134 HydrophobicContact CH2-CB 3.92Å; W126-F134 HydrophobicContact CZ2-CB 3.53Å; W126-F134 HydrophobicContact CZ2-CD2 4.43Å; W126-F134 AromaticContact CZ2-CG 3.99Å; W126-F134 HydrophobicContact CZ2-CG 3.99Å; W126-F134 HydrophobicContact CZ3-CB 4.25Å; W126-F134 PolarHBondContact N-O 2.95Å; W126-F134 AromaticContact NE1-CD2 3.61Å; W126-F134 PolarHBondContact O-N 3.28Å; W126-K136 HydrophobicContact CH2-CB 4.41Å; W126-K136 HydrophobicContact CH2-CD 4.21Å; W126-K136 HydrophobicContact CH2-CG 4.36Å; W126-K136 HydrophobicContact CZ3-CB 4.31Å; W126-K136 HydrophobicContact CZ3-CD 4.12Å; W126-K136 HydrophobicContact CZ3-CG 3.97Å; W126-P142 HydrophobicContact CH2-CB 3.69Å; W126-P142 HydrophobicContact CH2-CG 3.82Å; W126-P142 HydrophobicContact CZ2-CB 3.97Å; W126-P142 HydrophobicContact CZ2-CG 4.19Å
127	V	98	Very high	96	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134	168.9	64.8	0	0	0	0	109.5	P57 G58 F80 W132 V149 V151 L156	P57-V127 CarbonylContact C-O 3.56Å; P57-V127 WeakPolarHBondContact CA-O 3.23Å; G58-V127 PolarHBondContact N-O 2.93Å; F80-V127 HydrophobicContact CD2-CB 3.83Å; F80-V127 HydrophobicContact CD2-CG1 3.92Å; F80-V127 HydrophobicContact CE1-CG1 4.47Å; F80-V127 HydrophobicContact CE2-CB 3.66Å; F80-V127 HydrophobicContact CE2-CG1 3.82Å; F80-V127 HydrophobicContact CG-CG1 4.29Å; F80-V127 HydrophobicContact CZ-CB 4.37Å; F80-V127 HydrophobicContact CZ-CG1 4.13Å; V127-W132 WeakPolarHBondContact CA-O 3.21Å; V127-V149 HydrophobicContact CG2-CB 3.73Å; V127-V149 HydrophobicContact CG2-CG1 3.84Å; V127-V149 HydrophobicContact CG2-CG2 4.12Å; V127-V151 HydrophobicContact CB-CG1 4.39Å; V127-V151 HydrophobicContact CG1-CG1 3.93Å; V127-V151 HydrophobicContact CG2-CG1 3.53Å; V127-L156 HydrophobicContact CG1-CD1 3.98Å
128	N	96.6	Very high	96.1	Very high	32 Å²	32	45 Å²	45	17%	0.171	21%	0.214	C	C	.	.			trans	-85.5	174.5	173.9	76	4.8	0	0	0	111.7	R130 G131 W132 F134	N128-R130 PolarHBondContact O-N 2.77Å; N128-R130 VanDerWaalsContact O-N 3.09Å; N128-R130 WeakPolarHBondContact OD1-CA 3.34Å; N128-R130 WeakPolarHBondContact OD1-CB 3.35Å; N128-R130 PolarHBondContact OD1-N 3.26Å; N128-G131 PolarHBondContact O-N 3.33Å; N128-G131 PolarHBondContact OD1-N 2.9Å; N128-W132 PolarHBondContact N-O 3.42Å; N128-W132 WeakPolarHBondContact OD1-CB 3.45Å; N128-W132 PolarHBondContact OD1-N 2.9Å; N128-F134 HydrophobicContact CB-CE2 4.4Å
129	R	95.2	Very high	95.8	Very high	220 Å²	220	41.4 Å²	41.4	83%	0.83	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.3	178.6	-63.5	-174.9	-175.7	-179.6	2.4	114.6	P57 G131 V151	P57-R129 HydrophobicContact CB-CG 4.3Å; R129-G131 VanDerWaalsContact C-N 3.32Å; R129-V151 WeakPolarHBondContact O-CG2 3.44Å
130	R	96.7	Very high	95.7	Very high	166 Å²	166	40.1 Å²	40.1	63%	0.626	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.8	174.6	-59.9	-176.6	175	-171.7	-1.2	112.8	N128 W132	N128-R130 PolarHBondContact O-N 2.77Å; N128-R130 VanDerWaalsContact O-N 3.09Å; N128-R130 WeakPolarHBondContact OD1-CA 3.34Å; N128-R130 WeakPolarHBondContact OD1-CB 3.35Å; N128-R130 PolarHBondContact OD1-N 3.26Å; R130-W132 HydrophobicContact CB-CD2 4.26Å; R130-W132 HydrophobicContact CB-CG 4.27Å
131	G	97.2	Very high	95.5	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.031	22%	0.224	C	C	.	.	S	Bend	trans	80.6	18.4	-176.3	0	0	0	0	0	114.1	N128 R129 K147 D148 V149	N128-G131 PolarHBondContact O-N 3.33Å; N128-G131 PolarHBondContact OD1-N 2.9Å; R129-G131 VanDerWaalsContact C-N 3.32Å; G131-K147 CarbonylContact O-C 3.55Å; G131-K147 VanDerWaalsContact O-C 3.23Å; G131-D148 PolarHBondContact O-N 2.92Å; G131-V149 WeakPolarHBondContact CA-O 3.46Å; G131-V149 WeakPolarHBondContact O-CB 3.35Å; G131-V149 PolarHBondContact O-N 3.48Å
132	W	98.3	Very high	95.5	Very high	79 Å²	79	49.9 Å²	49.9	30%	0.299	24%	0.236	S	C	.	.			trans	-93.3	119.1	-180	-62.5	-1.1	0	0	0	110.3	V127 N128 R130 F134 L144 R146 K147	V127-W132 WeakPolarHBondContact CA-O 3.21Å; N128-W132 PolarHBondContact N-O 3.42Å; N128-W132 WeakPolarHBondContact OD1-CB 3.45Å; N128-W132 PolarHBondContact OD1-N 2.9Å; R130-W132 HydrophobicContact CB-CD2 4.26Å; R130-W132 HydrophobicContact CB-CG 4.27Å; W132-F134 HydrophobicContact CB-CD2 4.3Å; W132-F134 HydrophobicContact CB-CE2 3.56Å; W132-F134 HydrophobicContact CB-CZ 4.06Å; W132-F134 HydrophobicContact CE3-CE2 4.37Å; W132-F134 AromaticContact CE3-CZ 3.92Å; W132-F134 HydrophobicContact CE3-CZ 3.92Å; W132-F134 VanDerWaalsContact O-CD2 3.31Å; W132-F134 WeakPolarHBondContact O-CD2 3.19Å; W132-L144 HydrophobicContact CB-CD1 3.72Å; W132-L144 HydrophobicContact CG-CD1 4.24Å; W132-R146 CarbonylContact C-O 3.52Å; W132-R146 VanDerWaalsContact CA-O 3.29Å; W132-R146 WeakPolarHBondContact CA-O 3.49Å; W132-K147 HydrophobicContact CG-CG 4.29Å
133	L	98.3	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.5	175.5	174.3	60	0	0	0	109.5	F80 A110 F125 L145 R146 V149	F80-L133 HydrophobicContact CD2-CD1 3.87Å; F80-L133 HydrophobicContact CE2-CD1 3.5Å; F80-L133 VanDerWaalsContact CE2-CD1 3.5Å; A110-L133 HydrophobicContact CB-CD2 4.44Å; F125-L133 HydrophobicContact CD2-CD1 4.1Å; L133-L145 HydrophobicContact CD2-CB 4.32Å; L133-L145 HydrophobicContact CD2-CD1 4.33Å; L133-L145 HydrophobicContact CG-CB 4.13Å; L133-L145 HydrophobicContact CG-CD1 4.24Å; L133-L145 PolarHBondContact O-N 3.28Å; L133-R146 HydrophobicContact CB-CB 3.86Å; L133-R146 HydrophobicContact CB-CG 3.94Å; L133-R146 HydrophobicContact CD2-CG 3.75Å; L133-R146 HydrophobicContact CG-CG 4.3Å; L133-R146 PolarHBondContact N-O 2.8Å; L133-R146 PolarHBondContact O-N 3.08Å; L133-V149 HydrophobicContact CB-CG2 3.97Å
134	F	98.1	Very high	95.6	Very high	36 Å²	36	55.7 Å²	55.7	16%	0.158	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.7	175.2	-64.9	-89.9	0	0	0	111.1	F125 W126 N128 W132 P142 L143 L144	F125-F134 CarbonylContact C-O 3.54Å; F125-F134 WeakPolarHBondContact CA-O 3.33Å; F125-F134 WeakPolarHBondContact CB-O 3.42Å; W126-F134 HydrophobicContact CD2-CB 3.92Å; W126-F134 AromaticContact CE2-CG 4Å; W126-F134 HydrophobicContact CE3-CB 4.26Å; W126-F134 HydrophobicContact CH2-CB 3.92Å; W126-F134 HydrophobicContact CZ2-CB 3.53Å; W126-F134 HydrophobicContact CZ2-CD2 4.43Å; W126-F134 AromaticContact CZ2-CG 3.99Å; W126-F134 HydrophobicContact CZ2-CG 3.99Å; W126-F134 HydrophobicContact CZ3-CB 4.25Å; W126-F134 PolarHBondContact N-O 2.95Å; W126-F134 AromaticContact NE1-CD2 3.61Å; W126-F134 PolarHBondContact O-N 3.28Å; N128-F134 HydrophobicContact CB-CE2 4.4Å; W132-F134 HydrophobicContact CB-CD2 4.3Å; W132-F134 HydrophobicContact CB-CE2 3.56Å; W132-F134 HydrophobicContact CB-CZ 4.06Å; W132-F134 HydrophobicContact CE3-CE2 4.37Å; W132-F134 AromaticContact CE3-CZ 3.92Å; W132-F134 HydrophobicContact CE3-CZ 3.92Å; W132-F134 VanDerWaalsContact O-CD2 3.31Å; W132-F134 WeakPolarHBondContact O-CD2 3.19Å; F134-P142 HydrophobicContact CD1-CB 4.4Å; F134-L143 CarbonylContact C-O 3.6Å; F134-L143 VanDerWaalsContact CA-O 3.23Å; F134-L143 WeakPolarHBondContact CA-O 3.19Å; F134-L144 HydrophobicContact CD1-CB 4.11Å; F134-L144 HydrophobicContact CD1-CD1 4.05Å; F134-L144 HydrophobicContact CE1-CB 3.92Å; F134-L144 HydrophobicContact CE1-CD1 3.7Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.2Å; F134-L144 HydrophobicContact CG-CD1 4.46Å; F134-L144 HydrophobicContact CZ-CD1 3.8Å
135	A	97.4	Very high	95.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.9	161.7	0	0	0	0	0	110.8	L112 F116 V123 C124 F125 L143 L145	L112-A135 HydrophobicContact CD2-CB 3.72Å; F116-A135 HydrophobicContact CE2-CB 4.33Å; V123-A135 HydrophobicContact CG1-CB 4.47Å; C124-A135 CarbonylContact O-C 3.56Å; C124-A135 VanDerWaalsContact O-CA 3.26Å; C124-A135 WeakPolarHBondContact O-CA 3.37Å; F125-A135 HydrophobicContact CB-CB 4Å; A135-L143 PolarHBondContact N-O 2.82Å; A135-L143 PolarHBondContact O-N 2.66Å; A135-L145 HydrophobicContact CB-CD1 3.6Å; A135-L145 HydrophobicContact CB-CG 4.18Å
136	K	95.1	Very high	95.7	Very high	12 Å²	12	58.9 Å²	58.9	5%	0.052	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.3	168.1	73	-177.3	-173.7	177.1	0	109	V123 C124 W126 D180	V123-K136 CarbonylContact C-O 3.57Å; V123-K136 WeakPolarHBondContact CA-O 3.41Å; C124-K136 HydrophobicContact CB-CG 3.91Å; C124-K136 PolarHBondContact N-O 2.89Å; C124-K136 PolarHBondContact O-N 3.22Å; W126-K136 HydrophobicContact CH2-CB 4.41Å; W126-K136 HydrophobicContact CH2-CD 4.21Å; W126-K136 HydrophobicContact CH2-CG 4.36Å; W126-K136 HydrophobicContact CZ3-CB 4.31Å; W126-K136 HydrophobicContact CZ3-CD 4.12Å; W126-K136 HydrophobicContact CZ3-CG 3.97Å; K136-D180 IonicContact NZ-OD1 3.52Å; K136-D180 PolarHBondContact NZ-OD1 2.8Å; K136-D180 IonicContact NZ-OD2 3.92Å; K136-D180 PolarHBondContact NZ-OD2 2.92Å
137	V	95.6	Very high	95.7	Very high	20 Å²	20	64.7 Å²	64.7	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.7	172.6	63.7	0	0	0	0	109.5	F116 N121 V122 V123 G140	F116-V137 HydrophobicContact CB-CB 4.18Å; F116-V137 HydrophobicContact CB-CG1 4.41Å; F116-V137 HydrophobicContact CD1-CB 4.22Å; F116-V137 HydrophobicContact CD1-CG1 3.62Å; F116-V137 HydrophobicContact CD2-CB 3.74Å; F116-V137 HydrophobicContact CD2-CG1 3.96Å; F116-V137 HydrophobicContact CE1-CG1 3.72Å; F116-V137 HydrophobicContact CE2-CB 4.11Å; F116-V137 HydrophobicContact CE2-CG1 4.06Å; F116-V137 HydrophobicContact CG-CB 3.79Å; F116-V137 HydrophobicContact CG-CG1 3.73Å; F116-V137 HydrophobicContact CZ-CB 4.49Å; F116-V137 HydrophobicContact CZ-CG1 3.93Å; N121-V137 HydrophobicContact CB-CG2 3.69Å; V122-V137 WeakPolarHBondContact O-CA 3.36Å; V123-V137 HydrophobicContact CG2-CG2 4.36Å; V137-G140 VanDerWaalsContact O-CA 3.29Å; V137-G140 WeakPolarHBondContact O-CA 3.26Å; V137-G140 PolarHBondContact O-N 2.88Å
138	N	92.4	Very high	95.6	Very high	53 Å²	53	68.5 Å²	68.5	28%	0.283	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-136.8	-176.7	-53.5	-35.4	0	0	0	111.9	N121 V122 G140 W177	N121-N138 PolarHBondContact OD1-ND2 3.33Å; V122-N138 PolarHBondContact N-OD1 2.93Å; V122-N138 PolarHBondContact O-N 2.82Å; N138-G140 PolarHBondContact O-N 2.85Å; N138-W177 HydrophobicContact CB-CH2 3.97Å; N138-W177 HydrophobicContact CB-CZ2 3.87Å
139	A	86.2	Confident	95.7	Very high	83 Å²	83	67.2 Å²	67.2	69%	0.686	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	15.8	171.2	0	0	0	0	0	113.7	W177	A139-W177 HydrophobicContact CB-CE3 4.08Å; A139-W177 HydrophobicContact CB-CH2 4.24Å; A139-W177 HydrophobicContact CB-CZ3 3.65Å
140	G	90	Very high	95.7	Very high	35 Å²	35	61.5 Å²	61.5	36%	0.361	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-71.3	170	-179.3	0	0	0	0	0	113.1	V137 N138	V137-G140 VanDerWaalsContact O-CA 3.29Å; V137-G140 WeakPolarHBondContact O-CA 3.26Å; V137-G140 PolarHBondContact O-N 2.88Å; N138-G140 PolarHBondContact O-N 2.85Å
141	R	92.1	Very high	95.6	Very high	223 Å²	223	54.8 Å²	54.8	84%	0.842	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-73.3	143.4	176.6	-66.8	-174.3	178.1	-158.1	-0.9	110.9	L143	R141-L143 PolarHBondContact O-N 3.07Å
142	P	95.1	Very high	95.2	Very high	57 Å²	57	62.4 Å²	62.4	37%	0.37	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.9	132.3	168.3	-24.6	35	0	0	0	111.9	W126 F134	W126-P142 HydrophobicContact CH2-CB 3.69Å; W126-P142 HydrophobicContact CH2-CG 3.82Å; W126-P142 HydrophobicContact CZ2-CB 3.97Å; W126-P142 HydrophobicContact CZ2-CG 4.19Å; F134-P142 HydrophobicContact CD1-CB 4.4Å
143	L	96.8	Very high	94.7	Very high	72 Å²	72	62.8 Å²	62.8	38%	0.377	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.4	171.2	178.4	66.1	0	0	0	109	P113 F116 F134 A135 R141 L145	P113-L143 HydrophobicContact CG-CD2 3.48Å; P113-L143 VanDerWaalsContact CG-CD2 3.48Å; F116-L143 HydrophobicContact CE2-CB 4.49Å; F116-L143 HydrophobicContact CZ-CB 4.13Å; F116-L143 HydrophobicContact CZ-CD2 4.24Å; F134-L143 CarbonylContact C-O 3.6Å; F134-L143 VanDerWaalsContact CA-O 3.23Å; F134-L143 WeakPolarHBondContact CA-O 3.19Å; A135-L143 PolarHBondContact N-O 2.82Å; A135-L143 PolarHBondContact O-N 2.66Å; R141-L143 PolarHBondContact O-N 3.07Å; L143-L145 HydrophobicContact CD2-CD2 3.88Å; L143-L145 HydrophobicContact CG-CD2 4.16Å; L143-L145 PolarHBondContact O-N 2.79Å
144	L	97.8	Very high	94.4	Very high	62 Å²	62	64.6 Å²	64.6	33%	0.325	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	118.2	171.6	-179	64.9	0	0	0	109.6	W132 F134 R146 K147	W132-L144 HydrophobicContact CB-CD1 3.72Å; W132-L144 HydrophobicContact CG-CD1 4.24Å; F134-L144 HydrophobicContact CD1-CB 4.11Å; F134-L144 HydrophobicContact CD1-CD1 4.05Å; F134-L144 HydrophobicContact CE1-CB 3.92Å; F134-L144 HydrophobicContact CE1-CD1 3.7Å; F134-L144 HydrophobicContact CE1-CG 4.37Å; F134-L144 HydrophobicContact CE2-CD1 4.2Å; F134-L144 HydrophobicContact CG-CD1 4.46Å; F134-L144 HydrophobicContact CZ-CD1 3.8Å; L144-R146 VanDerWaalsContact CD1-O 3.23Å; L144-R146 WeakPolarHBondContact CD1-O 3.07Å; L144-K147 HydrophobicContact CD1-CG 4.39Å; L144-K147 HydrophobicContact CD2-CD 4.21Å; L144-K147 HydrophobicContact CD2-CG 3.91Å; L144-K147 HydrophobicContact CG-CG 4.46Å
145	L	97.6	Very high	94.2	Very high	39 Å²	39	66.4 Å²	66.4	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-39.5	178.4	-58.6	-179.1	0	0	0	112	V78 A110 L112 L133 A135 L143	V78-L145 HydrophobicContact CG2-CD1 4.1Å; A110-L145 HydrophobicContact CB-CB 3.75Å; A110-L145 HydrophobicContact CB-CD1 4.08Å; A110-L145 HydrophobicContact CB-CG 4.4Å; L112-L145 HydrophobicContact CD2-CD1 3.93Å; L133-L145 HydrophobicContact CD2-CB 4.32Å; L133-L145 HydrophobicContact CD2-CD1 4.33Å; L133-L145 HydrophobicContact CG-CB 4.13Å; L133-L145 HydrophobicContact CG-CD1 4.24Å; L133-L145 PolarHBondContact O-N 3.28Å; A135-L145 HydrophobicContact CB-CD1 3.6Å; A135-L145 HydrophobicContact CB-CG 4.18Å; L143-L145 HydrophobicContact CD2-CD2 3.88Å; L143-L145 HydrophobicContact CG-CD2 4.16Å; L143-L145 PolarHBondContact O-N 2.79Å
146	R	97.4	Very high	94.2	Very high	28 Å²	28	66.6 Å²	66.6	11%	0.106	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162	-175.2	-39.9	-179.1	56.9	127.9	0.8	113.1	E102 W108 A109 A110 W132 L133 L144 D148	E102-R146 VanDerWaalsContact CD-NH1 3.28Å; E102-R146 IonicContact OE1-CZ 3.67Å; E102-R146 VanDerWaalsContact OE1-CZ 3.25Å; E102-R146 IonicContact OE1-NH1 2.83Å; E102-R146 PolarHBondContact OE1-NH1 2.69Å; E102-R146 IonicContact OE1-NH2 2.79Å; E102-R146 PolarHBondContact OE1-NH2 3.48Å; E102-R146 IonicContact OE2-NH1 3.23Å; E102-R146 PolarHBondContact OE2-NH1 2.94Å; E102-R146 VanDerWaalsContact OE2-NH1 3.07Å; W108-R146 VanDerWaalsContact C-NH1 3.29Å; W108-R146 VanDerWaalsContact CA-NH1 3.32Å; A109-R146 PolarHBondContact O-NH1 2.75Å; A110-R146 HydrophobicContact CB-CG 3.98Å; W132-R146 CarbonylContact C-O 3.52Å; W132-R146 VanDerWaalsContact CA-O 3.29Å; W132-R146 WeakPolarHBondContact CA-O 3.49Å; L133-R146 HydrophobicContact CB-CB 3.86Å; L133-R146 HydrophobicContact CB-CG 3.94Å; L133-R146 HydrophobicContact CD2-CG 3.75Å; L133-R146 HydrophobicContact CG-CG 4.3Å; L133-R146 PolarHBondContact N-O 2.8Å; L133-R146 PolarHBondContact O-N 3.08Å; L144-R146 VanDerWaalsContact CD1-O 3.23Å; L144-R146 WeakPolarHBondContact CD1-O 3.07Å; R146-D148 WeakPolarHBondContact CB-OD1 3.31Å; R146-D148 IonicContact CZ-OD1 2.83Å; R146-D148 IonicContact CZ-OD2 3.25Å; R146-D148 IonicContact NE-OD1 3.82Å; R146-D148 PolarHBondContact NE-OD1 3.08Å; R146-D148 VanDerWaalsContact NE-OD1 3.08Å; R146-D148 IonicContact NH2-OD1 2.95Å; R146-D148 PolarHBondContact NH2-OD1 2.61Å; R146-D148 IonicContact NH2-OD2 2.69Å; R146-D148 PolarHBondContact NH2-OD2 3.06Å
147	K	97.6	Very high	94.4	Very high	138 Å²	138	67 Å²	67	60%	0.6	38%	0.379	S	S	*	.	S	Bend	trans	-126.2	2.8	179.7	-67.4	-177.5	-179.7	175.7	0	115.3	G131 W132 L144	G131-K147 CarbonylContact O-C 3.55Å; G131-K147 VanDerWaalsContact O-C 3.23Å; W132-K147 HydrophobicContact CG-CG 4.29Å; L144-K147 HydrophobicContact CD1-CG 4.39Å; L144-K147 HydrophobicContact CD2-CD 4.21Å; L144-K147 HydrophobicContact CD2-CG 3.91Å; L144-K147 HydrophobicContact CG-CG 4.46Å
148	D	96.6	Very high	94.5	Very high	81 Å²	81	66 Å²	66	43%	0.433	37%	0.373	S	S	.	.			trans	-118.4	12.4	-162.8	62.7	-42.1	0	0	0	113.8	W108 G131 R146 L150	W108-D148 PolarHBondContact NE1-O 3.19Å; G131-D148 PolarHBondContact O-N 2.92Å; R146-D148 WeakPolarHBondContact CB-OD1 3.31Å; R146-D148 IonicContact CZ-OD1 2.83Å; R146-D148 IonicContact CZ-OD2 3.25Å; R146-D148 IonicContact NE-OD1 3.82Å; R146-D148 PolarHBondContact NE-OD1 3.08Å; R146-D148 VanDerWaalsContact NE-OD1 3.08Å; R146-D148 IonicContact NH2-OD1 2.95Å; R146-D148 PolarHBondContact NH2-OD1 2.61Å; R146-D148 IonicContact NH2-OD2 2.69Å; R146-D148 PolarHBondContact NH2-OD2 3.06Å; D148-L150 PolarHBondContact O-N 2.78Å
149	V	97.4	Very high	94.8	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.024	36%	0.36	C	S	.	.			trans	-71.9	122.6	179.9	-173.1	0	0	0	0	110.1	F80 W108 V127 G131 L133 V151 L156	F80-V149 HydrophobicContact CB-CG1 4.26Å; W108-V149 HydrophobicContact CB-CB 4.48Å; W108-V149 HydrophobicContact CB-CG1 4.45Å; W108-V149 HydrophobicContact CB-CG2 3.84Å; W108-V149 HydrophobicContact CD2-CG1 4.17Å; W108-V149 HydrophobicContact CE3-CG1 3.92Å; W108-V149 HydrophobicContact CG-CB 4.41Å; W108-V149 HydrophobicContact CG-CG1 4.41Å; W108-V149 HydrophobicContact CG-CG2 4.21Å; V127-V149 HydrophobicContact CG2-CB 3.73Å; V127-V149 HydrophobicContact CG2-CG1 3.84Å; V127-V149 HydrophobicContact CG2-CG2 4.12Å; G131-V149 WeakPolarHBondContact CA-O 3.46Å; G131-V149 WeakPolarHBondContact O-CB 3.35Å; G131-V149 PolarHBondContact O-N 3.48Å; L133-V149 HydrophobicContact CB-CG2 3.97Å; V149-V151 HydrophobicContact CG1-CG1 4.33Å; V149-V151 PolarHBondContact O-N 3.4Å; V149-L156 HydrophobicContact CG1-CD1 4.34Å
150	L	96.4	Very high	95.4	Very high	100 Å²	100	59.7 Å²	59.7	52%	0.524	33%	0.328	S	S	.	.			trans	-81.3	103.6	178.8	-59	-179.9	0	0	0	111.1	R82 W108 D148	R82-L150 PolarHBondContact NE-O 3.46Å; R82-L150 VanDerWaalsContact NH2-C 3.31Å; R82-L150 PolarHBondContact NH2-O 3.24Å; W108-L150 HydrophobicContact CH2-CB 3.7Å; W108-L150 HydrophobicContact CH2-CD1 4.18Å; W108-L150 HydrophobicContact CH2-CG 4.06Å; W108-L150 HydrophobicContact CZ2-CB 3.69Å; W108-L150 HydrophobicContact CZ2-CD1 3.69Å; W108-L150 HydrophobicContact CZ2-CG 3.52Å; D148-L150 PolarHBondContact O-N 2.78Å
151	V	93.9	Very high	95.7	Very high	25 Å²	25	58 Å²	58	15%	0.152	31%	0.31	C	S	.	.			trans	-94.5	-9.2	-176.1	-63.9	0	0	0	0	115.4	P57 V127 R129 V149 L156	P57-V151 HydrophobicContact CG-CB 4.05Å; P57-V151 HydrophobicContact CG-CG1 4.35Å; V127-V151 HydrophobicContact CB-CG1 4.39Å; V127-V151 HydrophobicContact CG1-CG1 3.93Å; V127-V151 HydrophobicContact CG2-CG1 3.53Å; R129-V151 WeakPolarHBondContact O-CG2 3.44Å; V149-V151 HydrophobicContact CG1-CG1 4.33Å; V149-V151 PolarHBondContact O-N 3.4Å; V151-L156 HydrophobicContact CB-CD1 4.41Å; V151-L156 HydrophobicContact CG1-CD1 3.92Å
152	Q	90.1	Very high	96	Very high	164 Å²	164	47.4 Å²	47.4	77%	0.766	27%	0.27	S	S	*	.	S	Bend	trans	-100.2	141	-176.2	-68.1	-177.9	-33.7	0	0	112.7	R82	R82-Q152 PolarHBondContact NH2-O 3.39Å
153	G	87.9	Confident	95.8	Very high	87 Å²	87	46.4 Å²	46.4	90%	0.897	26%	0.26	S	S	*	.	S	Bend	trans	85.1	2	167.2	0	0	0	0	0	116.3
154	A	90.7	Very high	95.5	Very high	37 Å²	37	43 Å²	43	31%	0.306	24%	0.242	S	C	.	.	S	Bend	trans	-157.9	154.9	171.7	0	0	0	0	0	110.9	R82	R82-A154 HydrophobicContact CG-CB 4.24Å
155	P	95	Very high	95.3	Very high	75 Å²	75	41.7 Å²	41.7	49%	0.487	24%	0.236	S	C	.	.			trans	-63.9	154.7	169.2	-12.3	26.6	0	0	0	111.4	P54 W157	P54-P155 HydrophobicContact CB-CB 3.85Å; P54-P155 HydrophobicContact CG-CB 3.98Å; P155-W157 HydrophobicContact CB-CE3 4.42Å; P155-W157 HydrophobicContact CB-CH2 3.81Å; P155-W157 HydrophobicContact CB-CZ3 3.69Å; P155-W157 HydrophobicContact CG-CH2 4.17Å; P155-W157 HydrophobicContact CG-CZ3 4.33Å
156	L	97.5	Very high	95.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-117.1	141.5	174.3	-70.3	175	0	0	0	109.7	P54 V55 F80 T81 R82 W108 V127 V149 V151	P54-L156 CarbonylContact C-O 3.53Å; P54-L156 WeakPolarHBondContact CA-O 3.39Å; V55-L156 PolarHBondContact N-O 3.09Å; F80-L156 HydrophobicContact CB-CB 4.48Å; F80-L156 HydrophobicContact CB-CD1 4.38Å; F80-L156 HydrophobicContact CB-CD2 4.33Å; F80-L156 HydrophobicContact CD1-CB 4.34Å; T81-L156 CarbonylContact O-C 3.5Å; T81-L156 WeakPolarHBondContact O-CA 3.47Å; R82-L156 HydrophobicContact CG-CD2 3.79Å; W108-L156 HydrophobicContact CZ3-CD2 4.2Å; V127-L156 HydrophobicContact CG1-CD1 3.98Å; V149-L156 HydrophobicContact CG1-CD1 4.34Å; V151-L156 HydrophobicContact CB-CD1 4.41Å; V151-L156 HydrophobicContact CG1-CD1 3.92Å
157	W	98.3	Very high	95	Very high	20 Å²	20	38.9 Å²	38.9	8%	0.076	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.1	168.2	-72.7	-106.1	0	0	0	109.1	R53 P54 F80 T81 D84 P85 P155	R53-W157 VanDerWaalsContact C-CD1 3.42Å; P54-W157 HydrophobicContact CG-CD2 4.39Å; P54-W157 HydrophobicContact CG-CH2 4.16Å; P54-W157 HydrophobicContact CG-CZ2 3.61Å; F80-W157 CarbonylContact C-O 3.44Å; F80-W157 VanDerWaalsContact CA-O 3.24Å; F80-W157 WeakPolarHBondContact CA-O 3.44Å; T81-W157 HydrophobicContact CG2-CB 4.03Å; T81-W157 PolarHBondContact N-O 3.27Å; T81-W157 PolarHBondContact O-N 3.22Å; D84-W157 HydrophobicContact CB-CH2 3.86Å; D84-W157 HydrophobicContact CB-CZ2 3.98Å; D84-W157 HydrophobicContact CB-CZ3 4.4Å; P85-W157 VanDerWaalsContact CD-CE2 3.5Å; P85-W157 VanDerWaalsContact CD-NE1 3.25Å; P85-W157 HydrophobicContact CG-CB 4.2Å; P85-W157 VanDerWaalsContact CG-CD1 3.46Å; P85-W157 HydrophobicContact CG-CD2 4.46Å; P85-W157 HydrophobicContact CG-CG 3.81Å; P155-W157 HydrophobicContact CB-CE3 4.42Å; P155-W157 HydrophobicContact CB-CH2 3.81Å; P155-W157 HydrophobicContact CB-CZ3 3.69Å; P155-W157 HydrophobicContact CG-CH2 4.17Å; P155-W157 HydrophobicContact CG-CZ3 4.33Å
158	A	98.2	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.3	169.9	0	0	0	0	0	108.8	F50 S51 V55 V61 F80 F125 M160	F50-A158 CarbonylContact C-O 3.59Å; F50-A158 WeakPolarHBondContact CA-O 3.33Å; S51-A158 PolarHBondContact N-O 3.28Å; S51-A158 PolarHBondContact OG-N 3.4Å; V55-A158 HydrophobicContact CG2-CB 4.12Å; V61-A158 HydrophobicContact CG1-CB 4.17Å; V61-A158 HydrophobicContact CG2-CB 4Å; F80-A158 HydrophobicContact CE1-CB 4.44Å; F125-A158 HydrophobicContact CE2-CB 4.31Å; F125-A158 HydrophobicContact CZ-CB 4Å; A158-M160 HydrophobicContact CB-SD 3.97Å
159	V	98.6	Very high	95.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137	172.5	62.4	0	0	0	0	109.4	I48 V49 F50 V78 G79 T81 V97 L101 T107	I48-V159 HydrophobicContact CG2-CG2 3.96Å; V49-V159 WeakPolarHBondContact O-CA 3.4Å; F50-V159 HydrophobicContact CD1-CB 3.82Å; F50-V159 HydrophobicContact CD1-CG2 3.75Å; F50-V159 HydrophobicContact CE1-CB 3.93Å; F50-V159 HydrophobicContact CE1-CG2 3.47Å; F50-V159 VanDerWaalsContact CE1-CG2 3.47Å; F50-V159 HydrophobicContact CZ-CG2 4.14Å; V78-V159 CarbonylContact C-O 3.46Å; G79-V159 PolarHBondContact N-O 3.06Å; G79-V159 PolarHBondContact O-N 2.86Å; T81-V159 HydrophobicContact CG2-CB 4.36Å; V97-V159 HydrophobicContact CG1-CG1 4.46Å; V97-V159 HydrophobicContact CG1-CG2 4.42Å; V97-V159 HydrophobicContact CG2-CG2 3.86Å; L101-V159 HydrophobicContact CD2-CG2 4.36Å; T107-V159 HydrophobicContact CG2-CG1 4.08Å
160	M	98.3	Very high	95.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.6	177.7	-66.4	74.2	75.5	0	0	109.5	F20 I48 V49 L63 L76 R77 V78 F125 A158 I169 L171	F20-M160 HydrophobicContact CD1-CE 4.01Å; F20-M160 HydrophobicContact CE1-CE 3.44Å; F20-M160 VanDerWaalsContact CE1-CE 3.44Å; F20-M160 HydrophobicContact CZ-CE 4.47Å; I48-M160 CarbonylContact C-O 3.54Å; I48-M160 WeakPolarHBondContact CA-O 3.45Å; V49-M160 HydrophobicContact CG2-CB 3.8Å; V49-M160 HydrophobicContact CG2-CE 4.28Å; V49-M160 PolarHBondContact N-O 2.83Å; V49-M160 PolarHBondContact O-N 3.11Å; L63-M160 HydrophobicContact CD1-CG 3.73Å; L63-M160 HydrophobicContact CD2-CE 4.12Å; L63-M160 HydrophobicContact CD2-CG 4.49Å; L76-M160 HydrophobicContact CD1-CB 4.41Å; R77-M160 WeakPolarHBondContact O-CA 3.46Å; V78-M160 HydrophobicContact CG1-CG 4.17Å; F125-M160 HydrophobicContact CE1-CG 4.35Å; F125-M160 HydrophobicContact CE1-SD 4.08Å; F125-M160 HydrophobicContact CZ-CG 4.3Å; F125-M160 HydrophobicContact CZ-SD 3.62Å; A158-M160 HydrophobicContact CB-SD 3.97Å; M160-I169 HydrophobicContact CB-CD1 4.13Å; M160-I169 HydrophobicContact CG-CD1 4.44Å; M160-L171 HydrophobicContact CE-CD1 4.15Å
161	D	97.5	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	106.4	175.4	-163.8	-8.8	0	0	0	109.6	L76 R77 V97 Y163	L76-D161 WeakPolarHBondContact CD1-O 3.44Å; R77-D161 HydrophobicContact CB-CB 3.84Å; R77-D161 HydrophobicContact CG-CB 4.26Å; R77-D161 IonicContact CZ-OD2 3.57Å; R77-D161 PolarHBondContact N-O 2.87Å; R77-D161 IonicContact NH1-OD2 2.79Å; R77-D161 PolarHBondContact NH1-OD2 3.27Å; R77-D161 PolarHBondContact O-N 3.47Å; V97-D161 HydrophobicContact CB-CB 4.12Å; V97-D161 HydrophobicContact CG2-CB 3.65Å; V97-D161 PolarHBondContact N-OD2 3.11Å; D161-Y163 PolarHBondContact O-N 3.17Å
162	V	96.4	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.157	C	C	.	.			trans	-74	73.8	175.2	-171.7	0	0	0	0	109.1	A38 R40 G47 T166 I169	A38-V162 HydrophobicContact CB-CG2 4.48Å; R40-V162 HydrophobicContact CB-CG1 4Å; R40-V162 WeakPolarHBondContact CD-O 3.47Å; R40-V162 PolarHBondContact NH1-O 3.37Å; G47-V162 PolarHBondContact O-N 2.85Å; V162-T166 HydrophobicContact CG1-CG2 4.35Å; V162-T166 WeakPolarHBondContact CG1-O 3.44Å; V162-I169 HydrophobicContact CG2-CD1 3.77Å; V162-I169 HydrophobicContact CG2-CG1 3.88Å
163	Y	92.8	Very high	94.5	Very high	37 Å²	37	20 Å²	20	15%	0.145	14%	0.142	C	C	.	.			trans	-111.9	154	-167.6	171	-101.5	0	0	0	113.1	R40 F44 G75 F96 D161 T165 T166	R40-Y163 VanDerWaalsContact NH1-C 3.28Å; F44-Y163 AromaticContact CD2-CE2 3.77Å; F44-Y163 HydrophobicContact CD2-CE2 3.77Å; F44-Y163 HydrophobicContact CE2-CE2 4.35Å; F44-Y163 WeakPolarHBondContact O-CD2 3.21Å; G75-Y163 CarbonylContact C-O 3.51Å; G75-Y163 WeakPolarHBondContact O-CD1 3.44Å; F96-Y163 AromaticContact CD1-CD2 3.81Å; F96-Y163 HydrophobicContact CD1-CD2 3.81Å; F96-Y163 AromaticContact CD1-CE2 3.85Å; F96-Y163 HydrophobicContact CD1-CE2 3.85Å; F96-Y163 AromaticContact CE1-CD2 3.72Å; F96-Y163 HydrophobicContact CE1-CD2 3.72Å; F96-Y163 AromaticContact CE1-CE2 3.42Å; F96-Y163 HydrophobicContact CE1-CE2 3.42Å; F96-Y163 VanDerWaalsContact CE1-CE2 3.42Å; F96-Y163 HydrophobicContact CZ-CE2 4.44Å; D161-Y163 PolarHBondContact O-N 3.17Å; Y163-T165 PolarHBondContact O-N 2.83Å; Y163-T166 PolarHBondContact O-N 3.08Å; Y163-T166 VanDerWaalsContact O-N 3.11Å
164	G	90.2	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-125.7	170.5	0	0	0	0	0	111.7	R40 F44 C73 T166	R40-G164 PolarHBondContact NH1-O 2.79Å; R40-G164 VanDerWaalsContact NH1-O 3.13Å; R40-G164 PolarHBondContact NH2-O 2.98Å; F44-G164 PolarHBondContact O-N 3.49Å; C73-G164 WeakPolarHBondContact O-CA 3.47Å; G164-T166 PolarHBondContact O-N 2.88Å
165	T	92.1	Very high	92.6	Very high	34 Å²	34	24 Å²	24	21%	0.209	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.1	-179.1	57.4	0	0	0	0	114.2	H68 E69 W72 G74 Y163	H68-T165 CarbonylContact C-O 3.49Å; H68-T165 WeakPolarHBondContact CA-O 3.21Å; E69-T165 PolarHBondContact N-O 2.95Å; E69-T165 WeakPolarHBondContact O-CA 3.23Å; W72-T165 WeakPolarHBondContact O-CG2 3.16Å; G74-T165 WeakPolarHBondContact O-CB 3.48Å; G74-T165 WeakPolarHBondContact O-CG2 3.42Å; G74-T165 PolarHBondContact O-N 3.01Å; G74-T165 PolarHBondContact O-OG1 3.43Å; Y163-T165 PolarHBondContact O-N 2.83Å
166	T	94.6	Very high	91	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.1	-179.3	-56	0	0	0	0	110.1	R40 L76 V162 Y163 G164 I169	R40-T166 PolarHBondContact NH1-O 3.13Å; R40-T166 VanDerWaalsContact NH1-O 3.08Å; L76-T166 HydrophobicContact CB-CG2 4.2Å; L76-T166 PolarHBondContact N-OG1 3.45Å; V162-T166 HydrophobicContact CG1-CG2 4.35Å; V162-T166 WeakPolarHBondContact CG1-O 3.44Å; Y163-T166 PolarHBondContact O-N 3.08Å; Y163-T166 VanDerWaalsContact O-N 3.11Å; G164-T166 PolarHBondContact O-N 2.88Å; T166-I169 HydrophobicContact CG2-CG2 3.72Å
167	K	95.3	Very high	89.3	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.035	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-32.1	-176.3	-166.3	65.8	166.3	-167.3	0	113.3	R39 R40 R41 R67 E69	R39-K167 WeakPolarHBondContact CA-O 3.14Å; R40-K167 HydrophobicContact CB-CD 4.35Å; R40-K167 PolarHBondContact N-O 2.78Å; R40-K167 WeakPolarHBondContact O-CD 3.32Å; R40-K167 WeakPolarHBondContact O-CE 3.46Å; R41-K167 PolarHBondContact O-NZ 3.41Å; R67-K167 HydrophobicContact CB-CB 4.17Å; R67-K167 HydrophobicContact CG-CB 4.08Å; R67-K167 HydrophobicContact CG-CG 4.45Å; R67-K167 WeakPolarHBondContact O-CB 3.45Å; R67-K167 PolarHBondContact O-N 2.91Å; E69-K167 HydrophobicContact CB-CB 4.29Å; E69-K167 HydrophobicContact CB-CD 4.27Å; E69-K167 VanDerWaalsContact CD-NZ 3.28Å; E69-K167 VanDerWaalsContact OE1-CE 3.31Å; E69-K167 WeakPolarHBondContact OE1-CE 3.49Å; E69-K167 IonicContact OE1-NZ 3.07Å; E69-K167 PolarHBondContact OE1-NZ 3.44Å; E69-K167 IonicContact OE2-NZ 2.69Å; E69-K167 PolarHBondContact OE2-NZ 3.26Å
168	A	97.5	Very high	87.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	141	179.7	0	0	0	0	0	111.9	A38 R39 L66 R67	A38-A168 VanDerWaalsContact O-CA 3.28Å; A38-A168 WeakPolarHBondContact O-CA 3.01Å; R39-A168 HydrophobicContact CB-CB 4.17Å; R39-A168 HydrophobicContact CG-CB 4.02Å; L66-A168 HydrophobicContact CB-CB 3.94Å; L66-A168 HydrophobicContact CD1-CB 4.35Å; L66-A168 PolarHBondContact N-O 3.48Å; R67-A168 HydrophobicContact CB-CB 3.98Å; R67-A168 PolarHBondContact N-O 2.85Å; R67-A168 PolarHBondContact O-N 2.65Å
169	I	98.1	Very high	85.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.2	175.4	59.9	173.1	0	0	0	110.2	F20 T37 A38 V49 L63 R64 L76 M160 V162 T166	F20-I169 HydrophobicContact CE1-CD1 4.22Å; F20-I169 HydrophobicContact CZ-CD1 3.94Å; F20-I169 HydrophobicContact CZ-CG1 3.94Å; T37-I169 WeakPolarHBondContact CA-O 3.27Å; A38-I169 HydrophobicContact CB-CG1 4.18Å; A38-I169 PolarHBondContact N-O 3.35Å; A38-I169 PolarHBondContact O-N 3.48Å; V49-I169 HydrophobicContact CG2-CD1 4.5Å; L63-I169 HydrophobicContact CD2-CD1 4.33Å; R64-I169 CarbonylContact O-C 3.58Å; R64-I169 VanDerWaalsContact O-CA 3.3Å; R64-I169 WeakPolarHBondContact O-CA 3.14Å; L76-I169 HydrophobicContact CD1-CD1 4.16Å; L76-I169 HydrophobicContact CD1-CG2 4.23Å; L76-I169 HydrophobicContact CD2-CG2 4.04Å; M160-I169 HydrophobicContact CB-CD1 4.13Å; M160-I169 HydrophobicContact CG-CD1 4.44Å; V162-I169 HydrophobicContact CG2-CD1 3.77Å; V162-I169 HydrophobicContact CG2-CG1 3.88Å; T166-I169 HydrophobicContact CG2-CG2 3.72Å
170	E	97.9	Very high	83	Confident	47 Å²	47	38.6 Å²	38.6	22%	0.22	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.8	175.1	178.3	-169.5	-172.4	0	0	109	S36 L63 R64 L66 L172	S36-E170 CarbonylContact O-C 3.41Å; S36-E170 VanDerWaalsContact O-CA 3.24Å; S36-E170 WeakPolarHBondContact O-CA 3.18Å; L63-E170 CarbonylContact C-O 3.59Å; L63-E170 WeakPolarHBondContact CA-O 3.41Å; R64-E170 HydrophobicContact CB-CB 4.27Å; R64-E170 IonicContact CZ-OE2 2.94Å; R64-E170 PolarHBondContact N-O 2.82Å; R64-E170 IonicContact NE-OE2 2.71Å; R64-E170 IonicContact NH1-OE1 3.08Å; R64-E170 IonicContact NH1-OE2 3.37Å; R64-E170 PolarHBondContact NH1-OE2 3.21Å; R64-E170 PolarHBondContact O-N 2.75Å; L66-E170 HydrophobicContact CD1-CB 3.99Å; L66-E170 HydrophobicContact CD2-CB 4.06Å; L66-E170 HydrophobicContact CG-CB 4.01Å; E170-L172 HydrophobicContact CG-CD2 4.1Å
171	L	96.6	Very high	80.5	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.2	172.9	-163.5	66.8	0	0	0	108.9	L18 F20 S36 V61 L63 M160	L18-L171 VanDerWaalsContact C-CD2 3.49Å; L18-L171 HydrophobicContact CB-CD1 4.47Å; L18-L171 HydrophobicContact CB-CD2 3.61Å; L18-L171 HydrophobicContact CB-CG 3.94Å; F20-L171 HydrophobicContact CD1-CD2 4.43Å; F20-L171 HydrophobicContact CE1-CB 4.42Å; F20-L171 HydrophobicContact CE1-CD2 4.47Å; F20-L171 HydrophobicContact CE2-CB 4.01Å; F20-L171 HydrophobicContact CZ-CB 3.91Å; S36-L171 PolarHBondContact O-N 2.98Å; V61-L171 HydrophobicContact CG1-CD1 3.67Å; L63-L171 HydrophobicContact CD2-CB 4.33Å; L63-L171 HydrophobicContact CD2-CD1 3.32Å; L63-L171 HydrophobicContact CD2-CG 4.4Å; L63-L171 HydrophobicContact CG-CD1 4.39Å; M160-L171 HydrophobicContact CE-CD1 4.15Å
172	L	93.5	Very high	78.1	Confident	21 Å²	21	53.8 Å²	53.8	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.9	-178.6	-53.6	-179.7	0	0	0	109	A62 R64 V122 E170 E174 P176	A62-L172 HydrophobicContact CB-CB 3.95Å; A62-L172 HydrophobicContact CB-CD1 4.23Å; A62-L172 HydrophobicContact CB-CG 4.43Å; A62-L172 PolarHBondContact O-N 3.02Å; R64-L172 HydrophobicContact CB-CD1 4.4Å; R64-L172 HydrophobicContact CB-CD2 4.17Å; R64-L172 HydrophobicContact CB-CG 4.48Å; V122-L172 HydrophobicContact CG1-CD1 3.69Å; V122-L172 HydrophobicContact CG2-CD1 4.12Å; E170-L172 HydrophobicContact CG-CD2 4.1Å; L172-E174 PolarHBondContact O-N 2.79Å; L172-P176 HydrophobicContact CD1-CG 4.47Å
173	G	77.7	Confident	75.3	Confident	43 Å²	43	58.9 Å²	58.9	44%	0.443	34%	0.336	S	S	.	.	S	Bend	trans	-64.1	-26.5	-179.4	0	0	0	0	0	114.2
174	E	71.1	Confident	72.8	Confident	171 Å²	171	60.1 Å²	60.1	80%	0.799	36%	0.36	S	S	*	.	S	Bend	trans	-137.4	150.6	174.7	-66.4	-177.1	174.9	0	0	110.1	L172	L172-E174 PolarHBondContact O-N 2.79Å
175	T	66.8	Low	70.7	Confident	39 Å²	39	68.3 Å²	68.3	24%	0.239	40%	0.4	C	S	.	.			trans	-73.4	130.2	173	56.6	0	0	0	0	110	R60 A62 W177	R60-T175 HydrophobicContact CB-CG2 3.38Å; R60-T175 HydrophobicContact CG-CG2 4.19Å; A62-T175 HydrophobicContact CB-CG2 3.96Å; T175-W177 PolarHBondContact O-N 3.18Å
176	P	61.7	Low	68.2	Low	79 Å²	79	74.7 Å²	74.7	51%	0.513	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	2.1	-177.7	26	-30.2	0	0	0	114.1	V122 L172	V122-P176 HydrophobicContact CG1-CG 4.02Å; L172-P176 HydrophobicContact CD1-CG 4.47Å
177	W	62	Low	65.5	Low	99 Å²	99	80.6 Å²	80.6	38%	0.375	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	7.9	-170.5	-49.1	97.2	0	0	0	113.7	N138 A139 T175	N138-W177 HydrophobicContact CB-CH2 3.97Å; N138-W177 HydrophobicContact CB-CZ2 3.87Å; A139-W177 HydrophobicContact CB-CE3 4.08Å; A139-W177 HydrophobicContact CB-CH2 4.24Å; A139-W177 HydrophobicContact CB-CZ3 3.65Å; T175-W177 PolarHBondContact O-N 3.18Å
178	G	54.7	Low	62.6	Low	37 Å²	37	88.7 Å²	88.7	38%	0.381	50%	0.5	S	S	.	.			trans	65.9	179.9	-172.7	0	0	0	0	0	112.8	D180	G178-D180 PolarHBondContact O-N 3.07Å
179	P	54.3	Low	59.9	Low	128 Å²	128	94.6 Å²	94.6	83%	0.831	54%	0.535	S	S	*	.			trans	-63.4	119.3	171.6	25.4	-30.7	0	0	0	108.6	T181	P179-T181 VanDerWaalsContact C-N 3.35Å; P179-T181 PolarHBondContact O-N 3.42Å
180	D	53.8	Low	57	Low	63 Å²	63	101.7 Å²	101.7	34%	0.337	57%	0.568	S	S	.	*			trans	-60.2	105.3	161.9	-67.3	-37.8	0	0	0	105.3	R60 K136 G178 E182	R60-D180 IonicContact CZ-OD2 3.61Å; R60-D180 IonicContact NE-OD2 3.28Å; R60-D180 PolarHBondContact NE-OD2 3.26Å; R60-D180 VanDerWaalsContact NE-OD2 3.17Å; R60-D180 IonicContact NH2-OD2 2.79Å; R60-D180 PolarHBondContact NH2-OD2 3.25Å; K136-D180 IonicContact NZ-OD1 3.52Å; K136-D180 PolarHBondContact NZ-OD1 2.8Å; K136-D180 IonicContact NZ-OD2 3.92Å; K136-D180 PolarHBondContact NZ-OD2 2.92Å; G178-D180 PolarHBondContact O-N 3.07Å; D180-E182 PolarHBondContact O-N 3.31Å
181	T	46.6	Very low	54.2	Low	124 Å²	124	107.7 Å²	107.7	76%	0.761	60%	0.599	S	S	*	*			trans	-50.9	115.4	162	32.2	0	0	0	0	105.5	P179 C183	P179-T181 VanDerWaalsContact C-N 3.35Å; P179-T181 PolarHBondContact O-N 3.42Å; T181-C183 PolarHBondContact O-N 3.17Å
182	E	45.9	Very low	51.5	Low	195 Å²	195	113.2 Å²	113.2	91%	0.911	63%	0.632	S	S	*	*			trans	-66.1	67.4	173.5	-163.8	174.7	173.5	0	0	107.4	D180 G184	D180-E182 PolarHBondContact O-N 3.31Å; E182-G184 VanDerWaalsContact C-N 3.29Å; E182-G184 PolarHBondContact O-N 3.39Å
183	C	39	Very low	48.9	Very low	107 Å²	107	117.1 Å²	117.1	72%	0.723	66%	0.661	S	S	*	*			trans	-79.3	86.9	-179.1	-174.4	0	0	0	0	106.8	T181 M185	T181-C183 PolarHBondContact O-N 3.17Å; C183-M185 PolarHBondContact O-N 3.23Å
184	G	40	Very low	47.4	Very low	64 Å²	64	120.8 Å²	120.8	66%	0.66	68%	0.679	S	S	*	*			trans	49.6	57.1	145.5	0	0	0	0	0	116	E182 E186	E182-G184 VanDerWaalsContact C-N 3.29Å; E182-G184 PolarHBondContact O-N 3.39Å; G184-E186 PolarHBondContact O-N 2.94Å
185	M	45.8	Very low	46.1	Very low	171 Å²	171	120.7 Å²	120.7	84%	0.842	71%	0.707	S	S	*	*			trans	-89.3	46.1	156.3	-64.2	-169.4	-172.1	0	0	110.5	C183 T187	C183-M185 PolarHBondContact O-N 3.23Å; M185-T187 PolarHBondContact O-N 2.73Å
186	E	38.7	Very low	45.1	Very low	168 Å²	168	124.8 Å²	124.8	79%	0.785	73%	0.731	S	S	*	*			trans	-75.9	90.9	145.9	-85.1	-179.6	121.6	0	0	105.9	G184 K188	G184-E186 PolarHBondContact O-N 2.94Å; E186-K188 PolarHBondContact O-N 3.31Å
187	T	38.2	Very low	44.2	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	74%	0.742	S	S	*	*			trans	-50.4	106.4	162.2	25.8	0	0	0	0	107.8	M185 V189	M185-T187 PolarHBondContact O-N 2.73Å; T187-V189 VanDerWaalsContact C-N 3.25Å; T187-V189 PolarHBondContact O-N 2.94Å
188	K	34.4	Very low	43.2	Very low	179 Å²	179	128.7 Å²	128.7	78%	0.778	76%	0.763	S	S	*	*			trans	-54.8	95.6	160.8	-159.8	179.2	-171.7	-174.9	0	106	E186 Q190	E186-K188 PolarHBondContact O-N 3.31Å; K188-Q190 PolarHBondContact O-N 3.22Å
189	V	41.2	Very low	42.6	Very low	123 Å²	123	134.1 Å²	134.1	75%	0.745	79%	0.785	S	S	*	*			trans	-66.6	97.6	165.8	177.4	0	0	0	0	104.5	T187 M191	T187-V189 VanDerWaalsContact C-N 3.25Å; T187-V189 PolarHBondContact O-N 2.94Å; V189-M191 PolarHBondContact O-N 3.3Å
190	Q	38.1	Very low	41.8	Very low	149 Å²	149	134.5 Å²	134.5	70%	0.696	78%	0.782	S	S	*	*			trans	-68.4	100.8	175.4	-150.6	147.4	-42.7	0	0	106.2	K188 T192	K188-Q190 PolarHBondContact O-N 3.22Å; Q190-T192 VanDerWaalsContact C-N 3.28Å; Q190-T192 PolarHBondContact O-N 2.8Å
191	M	38.5	Very low	41	Very low	174 Å²	174	139.3 Å²	139.3	86%	0.857	81%	0.812	S	S	*	*			trans	-62.3	93.6	164.4	-78.8	-90.3	-81.3	0	0	107.2	V189 S193	V189-M191 PolarHBondContact O-N 3.3Å; M191-S193 PolarHBondContact O-N 2.98Å
192	T	39.3	Very low	40.6	Very low	119 Å²	119	140.4 Å²	140.4	73%	0.73	82%	0.815	S	S	*	*			trans	-79.6	94.4	159.8	-43.1	0	0	0	0	106	Q190 C194	Q190-T192 VanDerWaalsContact C-N 3.28Å; Q190-T192 PolarHBondContact O-N 2.8Å; T192-C194 PolarHBondContact O-N 3.06Å
193	S	39.2	Very low	40.2	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	81%	0.808	S	S	*	*			trans	-71.5	115.6	160.1	122.1	0	0	0	0	106.1	M191	M191-S193 PolarHBondContact O-N 2.98Å
194	C	45.8	Very low	40.3	Very low	121 Å²	121	138.6 Å²	138.6	82%	0.818	82%	0.815	S	S	*	*			trans	-76.7	127.8	157.3	-75.6	0	0	0	0	107	T192	T192-C194 PolarHBondContact O-N 3.06Å
195	A	45	Very low	40.4	Very low	168 Å²	168	145.4 Å²	145.4	100%	1.388	83%	0.829	S	S	*	*			trans	-74.7	0	163.4	0	0	0	0	0	110.4

Retrieved 195 of 195 residues in 204.6 ms (Link to these results)

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