A0A5K4EXY3_SCHMA Loading...

NFU1 iron-sulfur cluster scaffold homolog, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4EXY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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	41.2	Very low	46.3	Very low	233 Å²	233	177.9 Å²	177.9	100%	1.148	88%	0.882	S	S	*	*				0	125.4	0	-116.4	-173.5	-175.8	0	0	105.7
2	L	40.3	Very low	46	Very low	174 Å²	174	174.7 Å²	174.7	91%	0.911	87%	0.87	S	S	*	*			trans	88.7	126.1	-146.4	-54	165.3	0	0	0	108.7
3	V	47.1	Very low	45.7	Very low	115 Å²	115	170.5 Å²	170.5	70%	0.697	86%	0.86	S	S	*	*			cis	-146.5	133.9	32	168	0	0	0	0	108.9	N5	V3-N5 PolarHBondContact O-N 3.18Å
4	V	50.1	Low	45.8	Very low	145 Å²	145	170 Å²	170	88%	0.879	85%	0.853	S	S	*	*			trans	-63.2	116.6	168.8	176.5	0	0	0	0	108.5
5	N	42.9	Very low	45.7	Very low	145 Å²	145	165.4 Å²	165.4	78%	0.775	84%	0.844	S	S	*	*			trans	-148.7	145.1	168.9	-101.3	-29.9	0	0	0	110.4	V3	V3-N5 PolarHBondContact O-N 3.18Å
6	S	50.8	Low	45.9	Very low	106 Å²	106	164.4 Å²	164.4	74%	0.741	84%	0.839	S	S	*	*			trans	91.6	67.9	161.2	-147.9	0	0	0	0	117
7	F	51	Low	46	Very low	222 Å²	222	160.7 Å²	160.7	97%	0.974	83%	0.831	S	S	*	*			trans	-152.6	70.8	143.9	-100	-75.9	0	0	0	110
8	R	51.1	Low	46.1	Very low	246 Å²	246	162.4 Å²	162.4	93%	0.928	83%	0.832	S	S	*	*			trans	-132.5	76.9	167.7	-163.5	-177	-123.2	-126.8	3.6	108.2
9	R	45.4	Very low	46.3	Very low	233 Å²	233	163.9 Å²	163.9	88%	0.879	84%	0.835	S	S	*	*			trans	-156.1	57.9	178.6	-153.9	-174.2	-100.4	-163.4	-3.7	112.7
10	L	44	Very low	46.4	Very low	169 Å²	169	160.6 Å²	160.6	89%	0.885	83%	0.827	S	S	*	*			trans	-147.6	61.7	163	-72.3	-179.6	0	0	0	110.8
11	L	45.1	Very low	46.7	Very low	169 Å²	169	160.9 Å²	160.9	89%	0.885	82%	0.818	S	S	*	*			trans	-132.9	68.2	153.8	-69.5	177.8	0	0	0	106.4	T13	L11-T13 VanDerWaalsContact C-N 3.31Å; L11-T13 PolarHBondContact O-N 3.36Å
12	N	43.4	Very low	47.4	Very low	139 Å²	139	158.1 Å²	158.1	74%	0.743	81%	0.806	S	S	*	*			trans	-87.7	85	166	-164.6	28.9	0	0	0	107.5	Q14	N12-Q14 VanDerWaalsContact C-N 3.32Å; N12-Q14 PolarHBondContact O-N 3.39Å
13	T	42.2	Very low	48.2	Very low	120 Å²	120	158.9 Å²	158.9	74%	0.736	80%	0.797	S	S	*	*			trans	-59.5	90.9	169.3	-37.3	0	0	0	0	108.3	L11 S15	L11-T13 VanDerWaalsContact C-N 3.31Å; L11-T13 PolarHBondContact O-N 3.36Å; T13-S15 PolarHBondContact O-N 3.16Å
14	Q	46.3	Very low	49	Very low	164 Å²	164	163 Å²	163	77%	0.766	81%	0.805	S	S	*	*			trans	-74.5	86	161.2	-70.7	-131.5	10.1	0	0	107.3	N12 I16	N12-Q14 VanDerWaalsContact C-N 3.32Å; N12-Q14 PolarHBondContact O-N 3.39Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.34Å
15	S	44	Very low	50.5	Low	101 Å²	101	158.3 Å²	158.3	71%	0.706	78%	0.775	S	S	*	*			trans	-54.2	99.7	160	178.9	0	0	0	0	107.5	T13 S17	T13-S15 PolarHBondContact O-N 3.16Å; S15-S17 PolarHBondContact O-N 3.16Å
16	I	49.2	Very low	52.5	Low	149 Å²	149	158.4 Å²	158.4	76%	0.764	77%	0.769	S	S	*	*			trans	-64.5	106.7	168.4	-61.8	169.4	0	0	0	105.2	Q14 F18	Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.34Å; I16-F18 PolarHBondContact O-N 3.05Å
17	S	47.7	Very low	54.5	Low	102 Å²	102	153.7 Å²	153.7	71%	0.713	74%	0.735	S	S	*	*			trans	-64.3	81.2	172.8	43.3	0	0	0	0	109.8	S15 Q19	S15-S17 PolarHBondContact O-N 3.16Å; S17-Q19 PolarHBondContact O-N 2.76Å
18	F	48.9	Very low	56.5	Low	191 Å²	191	147.8 Å²	147.8	84%	0.838	71%	0.711	S	S	*	*			trans	-68.9	19.9	175.1	-169.4	-104.1	0	0	0	113.3	I16	I16-F18 PolarHBondContact O-N 3.05Å
19	Q	48.7	Very low	58.5	Low	191 Å²	191	138 Å²	138	89%	0.893	68%	0.678	S	S	*	*			trans	-107.2	26.8	-170.2	-76.8	-175.2	-24.2	0	0	114.7	S17	S17-Q19 PolarHBondContact O-N 2.76Å
20	S	48.9	Very low	60.9	Low	98 Å²	98	131.4 Å²	131.4	69%	0.685	66%	0.657	S	S	*	*	S	Bend	trans	-104.8	89.6	175.8	-163	0	0	0	0	113.3
21	R	51.7	Low	63.3	Low	167 Å²	167	131.8 Å²	131.8	63%	0.63	65%	0.654	S	S	*	*			trans	54.5	82.8	148.9	-84.6	178.4	-93.4	-164.3	-12.1	117.8	R23	R21-R23 HydrophobicContact CB-CG 3.96Å; R21-R23 HydrophobicContact CG-CG 3.67Å; R21-R23 PolarHBondContact O-N 3.12Å
22	I	56.2	Low	65.6	Low	174 Å²	174	125.6 Å²	125.6	89%	0.892	62%	0.623	S	S	*	*			trans	-71.5	63.2	141.5	-50.5	179.2	0	0	0	108
23	R	58.6	Low	68	Low	190 Å²	190	125.9 Å²	125.9	72%	0.717	63%	0.633	S	S	*	*			trans	-74.8	123.1	156.2	-62.8	-132.7	-175.8	167.8	1.1	104.4	R21 L25	R21-R23 HydrophobicContact CB-CG 3.96Å; R21-R23 HydrophobicContact CG-CG 3.67Å; R21-R23 PolarHBondContact O-N 3.12Å; R23-L25 PolarHBondContact O-N 3.16Å
24	K	63.9	Low	70.4	Confident	203 Å²	203	123.4 Å²	123.4	88%	0.883	62%	0.615	S	S	*	*			trans	-31.5	105.6	178.5	-71.7	-179.9	176.6	-179.8	0	110.1	F26	K24-F26 PolarHBondContact O-N 3.18Å; K24-F26 VanDerWaalsContact O-N 3.1Å
25	L	80.2	Confident	72.7	Confident	45 Å²	45	120.4 Å²	120.4	24%	0.236	61%	0.61	C	S	.	*			trans	-70.6	107.5	176.5	-169	76.9	0	0	0	106.2	R23 I27 P42 K44 M107 Y110	R23-L25 PolarHBondContact O-N 3.16Å; L25-I27 HydrophobicContact CD2-CD1 4.33Å; L25-I27 HydrophobicContact CD2-CG1 4.26Å; L25-I27 HydrophobicContact CG-CG1 4.34Å; L25-P42 WeakPolarHBondContact CD1-O 3.25Å; L25-K44 HydrophobicContact CD1-CD 4.18Å; L25-K44 HydrophobicContact CD1-CG 4.42Å; L25-M107 HydrophobicContact CD2-CG 4.13Å; L25-Y110 HydrophobicContact CD2-CD2 4.07Å; L25-Y110 HydrophobicContact CD2-CG 4.18Å
26	F	85.8	Confident	75.1	Confident	147 Å²	147	117.3 Å²	117.3	65%	0.645	59%	0.585	S	S	*	*			trans	-102.9	106	176.5	-176.2	-109.2	0	0	0	108.1	K24 Q28	K24-F26 PolarHBondContact O-N 3.18Å; K24-F26 VanDerWaalsContact O-N 3.1Å; F26-Q28 HydrophobicContact CD1-CG 3.75Å; F26-Q28 HydrophobicContact CE1-CG 3.52Å
27	I	91.6	Very high	77.4	Confident	7 Å²	7	110.7 Å²	110.7	4%	0.036	55%	0.552	C	S	.	*			trans	-85.5	118.4	177.6	-58.1	166.4	0	0	0	107.6	L25 Y40 F41 Y103 I106 M107	L25-I27 HydrophobicContact CD2-CD1 4.33Å; L25-I27 HydrophobicContact CD2-CG1 4.26Å; L25-I27 HydrophobicContact CG-CG1 4.34Å; I27-Y40 HydrophobicContact CG2-CD1 3.98Å; I27-F41 CarbonylContact C-O 3.5Å; I27-F41 VanDerWaalsContact CA-O 3.31Å; I27-F41 WeakPolarHBondContact CA-O 3.42Å; I27-Y103 HydrophobicContact CB-CD1 3.95Å; I27-Y103 HydrophobicContact CB-CE1 3.58Å; I27-Y103 HydrophobicContact CD1-CD1 3.92Å; I27-Y103 HydrophobicContact CD1-CE1 4.45Å; I27-Y103 HydrophobicContact CG1-CD1 4.5Å; I27-Y103 HydrophobicContact CG2-CD1 4.25Å; I27-Y103 HydrophobicContact CG2-CE1 3.83Å; I27-Y103 PolarHBondContact O-OH 3.19Å; I27-I106 HydrophobicContact CD1-CB 3.84Å; I27-I106 HydrophobicContact CD1-CG2 3.55Å; I27-I106 HydrophobicContact CG1-CG2 4.24Å; I27-M107 HydrophobicContact CD1-CG 3.65Å
28	Q	93.2	Very high	79.7	Confident	99 Å²	99	106.4 Å²	106.4	46%	0.463	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	145.6	171.1	-62.5	176.8	-6.3	0	0	109.8	F26 Y40 F41	F26-Q28 HydrophobicContact CD1-CG 3.75Å; F26-Q28 HydrophobicContact CE1-CG 3.52Å; Q28-Y40 CarbonylContact O-C 3.54Å; Q28-Y40 WeakPolarHBondContact O-CA 3.41Å; Q28-F41 HydrophobicContact CB-CB 4.17Å; Q28-F41 PolarHBondContact N-O 3.45Å; Q28-F41 PolarHBondContact O-N 3.32Å
29	V	94.3	Very high	82	Confident	39 Å²	39	99.7 Å²	99.7	24%	0.236	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.1	173.7	171.5	0	0	0	0	109.4	L38 K39 Y40 Y103	V29-L38 HydrophobicContact CG1-CB 4.32Å; V29-L38 HydrophobicContact CG1-CD1 4.2Å; V29-L38 HydrophobicContact CG1-CD2 4.37Å; V29-K39 CarbonylContact C-O 3.54Å; V29-K39 VanDerWaalsContact CA-O 3.31Å; V29-K39 WeakPolarHBondContact CA-O 3.27Å; V29-Y40 HydrophobicContact CG2-CD1 3.33Å; V29-Y40 HydrophobicContact CG2-CE1 3.39Å; V29-Y40 HydrophobicContact CG2-CG 4Å; V29-Y103 HydrophobicContact CG2-CE2 3.63Å; V29-Y103 WeakPolarHBondContact CG2-OH 3.37Å
30	Q	94.8	Very high	84.2	Confident	96 Å²	96	90.6 Å²	90.6	45%	0.449	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140	172.4	-63.5	179.2	0	0	0	109.5	K39 F41	Q30-K39 HydrophobicContact CB-CB 4.45Å; Q30-K39 PolarHBondContact N-O 3Å; Q30-K39 PolarHBondContact O-N 3.48Å; Q30-F41 HydrophobicContact CB-CE2 3.91Å; Q30-F41 HydrophobicContact CG-CD2 4.2Å; Q30-F41 HydrophobicContact CG-CE2 3.56Å; Q30-F41 HydrophobicContact CG-CZ 4.36Å; Q30-F41 VanDerWaalsContact OE1-CZ 3.31Å
31	E	94.2	Very high	86.4	Confident	176 Å²	176	87.6 Å²	87.6	82%	0.822	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	152.3	172.7	-65	177.1	-177.8	0	0	110.2	L38	E31-L38 HydrophobicContact CB-CD2 4.34Å; E31-L38 HydrophobicContact CG-CD2 3.95Å
32	T	93.8	Very high	88.3	Confident	39 Å²	39	79.7 Å²	79.7	24%	0.239	40%	0.395	C	S	.	.			trans	-116	162.4	174.2	78.1	0	0	0	0	109.2	N34 S37 K39	T32-N34 PolarHBondContact O-N 2.97Å; T32-N34 PolarHBondContact OG1-N 3.11Å; T32-N34 PolarHBondContact OG1-O 3.48Å; T32-S37 WeakPolarHBondContact CG2-O 3.49Å; T32-S37 WeakPolarHBondContact OG1-CB 3.43Å; T32-S37 PolarHBondContact OG1-O 3.48Å; T32-K39 HydrophobicContact CG2-CB 4.1Å
33	P	93.4	Very high	89.9	Confident	145 Å²	145	74.9 Å²	74.9	94%	0.942	39%	0.388	S	S	*	.	S	Bend	trans	-57.1	-19.8	174.1	-25.6	35.1	0	0	0	114
34	N	93.3	Very high	91.3	Very high	69 Å²	69	69.7 Å²	69.7	37%	0.369	37%	0.37	S	S	.	.	S	Bend	trans	-89.9	116.4	172.1	179.3	3.7	0	0	0	109.7	T32 N36 S37	T32-N34 PolarHBondContact O-N 2.97Å; T32-N34 PolarHBondContact OG1-N 3.11Å; T32-N34 PolarHBondContact OG1-O 3.48Å; N34-N36 PolarHBondContact O-N 3.09Å; N34-N36 VanDerWaalsContact O-N 3.13Å; N34-N36 WeakPolarHBondContact OD1-CB 3.27Å; N34-N36 PolarHBondContact OD1-N 2.84Å; N34-S37 PolarHBondContact ND2-OG 3.06Å; N34-S37 VanDerWaalsContact ND2-OG 3.1Å; N34-S37 PolarHBondContact O-N 3.28Å; N34-S37 VanDerWaalsContact O-O 3.09Å
35	P	93.4	Very high	92.6	Very high	100 Å²	100	64.4 Å²	64.4	65%	0.649	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.4	179.5	26.2	-35.5	0	0	0	113.1	S37 W95	P35-S37 VanDerWaalsContact C-N 3.29Å; P35-S37 PolarHBondContact O-N 3.33Å; P35-W95 PolarHBondContact O-NE1 2.99Å
36	N	95.4	Very high	93.1	Very high	36 Å²	36	62.7 Å²	62.7	19%	0.193	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.4	177.2	-65.2	-33.4	0	0	0	113.4	N34 T88 K89 D91 W95	N34-N36 PolarHBondContact O-N 3.09Å; N34-N36 VanDerWaalsContact O-N 3.13Å; N34-N36 WeakPolarHBondContact OD1-CB 3.27Å; N34-N36 PolarHBondContact OD1-N 2.84Å; N36-T88 HydrophobicContact CB-CG2 4.44Å; N36-T88 CarbonylContact O-C 3.53Å; N36-T88 WeakPolarHBondContact O-CA 3.24Å; N36-K89 HydrophobicContact CB-CG 4.25Å; N36-K89 PolarHBondContact O-N 2.64Å; N36-K89 PolarHBondContact OD1-NZ 3.11Å; N36-D91 VanDerWaalsContact CG-OD1 3.23Å; N36-D91 PolarHBondContact ND2-OD1 3.5Å; N36-D91 PolarHBondContact OD1-OD1 2.71Å; N36-W95 VanDerWaalsContact O-CZ2 3.3Å; N36-W95 WeakPolarHBondContact O-CZ2 3.44Å
37	S	96.5	Very high	93.3	Very high	10 Å²	10	57.7 Å²	57.7	7%	0.07	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.3	179.2	-62.1	0	0	0	0	112.6	T32 N34 P35 I87 T88	T32-S37 WeakPolarHBondContact CG2-O 3.49Å; T32-S37 WeakPolarHBondContact OG1-CB 3.43Å; T32-S37 PolarHBondContact OG1-O 3.48Å; N34-S37 PolarHBondContact ND2-OG 3.06Å; N34-S37 VanDerWaalsContact ND2-OG 3.1Å; N34-S37 PolarHBondContact O-N 3.28Å; N34-S37 VanDerWaalsContact O-O 3.09Å; P35-S37 VanDerWaalsContact C-N 3.29Å; P35-S37 PolarHBondContact O-N 3.33Å; S37-I87 VanDerWaalsContact CA-O 3.29Å; S37-I87 WeakPolarHBondContact CA-O 3.14Å; S37-T88 PolarHBondContact OG-OG1 2.94Å
38	L	96.9	Very high	93.1	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144	174	-71.4	-178.7	0	0	0	110.8	V29 E31 Y40 T86 I87 W95	V29-L38 HydrophobicContact CG1-CB 4.32Å; V29-L38 HydrophobicContact CG1-CD1 4.2Å; V29-L38 HydrophobicContact CG1-CD2 4.37Å; E31-L38 HydrophobicContact CB-CD2 4.34Å; E31-L38 HydrophobicContact CG-CD2 3.95Å; L38-Y40 HydrophobicContact CB-CE2 3.8Å; L38-T86 WeakPolarHBondContact O-CA 3.34Å; L38-I87 PolarHBondContact N-O 3.33Å; L38-I87 PolarHBondContact O-N 2.84Å; L38-W95 HydrophobicContact CB-CH2 3.99Å; L38-W95 HydrophobicContact CB-CZ2 3.97Å; L38-W95 HydrophobicContact CB-CZ3 4.41Å; L38-W95 HydrophobicContact CD1-CD2 3.43Å; L38-W95 VanDerWaalsContact CD1-CD2 3.43Å; L38-W95 HydrophobicContact CD1-CE3 3.67Å; L38-W95 HydrophobicContact CD1-CG 3.87Å; L38-W95 HydrophobicContact CD1-CH2 4.21Å; L38-W95 HydrophobicContact CD1-CZ2 3.99Å; L38-W95 HydrophobicContact CD1-CZ3 4.06Å; L38-W95 HydrophobicContact CG-CD2 3.98Å; L38-W95 HydrophobicContact CG-CE3 4.35Å; L38-W95 HydrophobicContact CG-CH2 4.04Å; L38-W95 HydrophobicContact CG-CZ2 3.6Å; L38-W95 HydrophobicContact CG-CZ3 4.39Å
39	K	96.4	Very high	92.8	Very high	50 Å²	50	59.7 Å²	59.7	22%	0.217	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.3	-178.8	-168.8	179.6	-177.6	-174.8	0	110	V29 Q30 T32 F41 F84	V29-K39 CarbonylContact C-O 3.54Å; V29-K39 VanDerWaalsContact CA-O 3.31Å; V29-K39 WeakPolarHBondContact CA-O 3.27Å; Q30-K39 HydrophobicContact CB-CB 4.45Å; Q30-K39 PolarHBondContact N-O 3Å; Q30-K39 PolarHBondContact O-N 3.48Å; T32-K39 HydrophobicContact CG2-CB 4.1Å; K39-F41 HydrophobicContact CB-CE2 4.16Å; K39-F41 HydrophobicContact CD-CE1 4.34Å; K39-F41 HydrophobicContact CD-CE2 3.64Å; K39-F41 HydrophobicContact CD-CZ 3.41Å; K39-F41 VanDerWaalsContact CD-CZ 3.41Å; K39-F41 HydrophobicContact CG-CD2 4.36Å; K39-F41 HydrophobicContact CG-CE2 3.59Å; K39-F41 HydrophobicContact CG-CZ 3.82Å; K39-F84 HydrophobicContact CD-CB 4.34Å; K39-F84 HydrophobicContact CD-CD2 4.02Å; K39-F84 HydrophobicContact CD-CE2 4.45Å; K39-F84 HydrophobicContact CD-CG 4.16Å; K39-F84 VanDerWaalsContact CE-CB 3.41Å; K39-F84 HydrophobicContact CG-CB 3.96Å; K39-F84 HydrophobicContact CG-CD2 3.83Å; K39-F84 HydrophobicContact CG-CG 4.11Å
40	Y	96.3	Very high	92.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.1	-178.5	-65.2	-103.6	0	0	0	110.1	I27 Q28 V29 L38 F84 I85 I87 V102 Y103 I106	I27-Y40 HydrophobicContact CG2-CD1 3.98Å; Q28-Y40 CarbonylContact O-C 3.54Å; Q28-Y40 WeakPolarHBondContact O-CA 3.41Å; V29-Y40 HydrophobicContact CG2-CD1 3.33Å; V29-Y40 HydrophobicContact CG2-CE1 3.39Å; V29-Y40 HydrophobicContact CG2-CG 4Å; L38-Y40 HydrophobicContact CB-CE2 3.8Å; Y40-F84 CarbonylContact O-C 3.58Å; Y40-F84 VanDerWaalsContact O-CA 3.28Å; Y40-F84 WeakPolarHBondContact O-CA 3.4Å; Y40-I85 PolarHBondContact N-O 3.45Å; Y40-I85 PolarHBondContact O-N 2.89Å; Y40-I87 HydrophobicContact CD2-CD1 4.22Å; Y40-I87 HydrophobicContact CD2-CG1 4.23Å; Y40-I87 HydrophobicContact CE2-CB 4.21Å; Y40-I87 HydrophobicContact CE2-CD1 4.05Å; Y40-I87 HydrophobicContact CE2-CG1 4.22Å; Y40-V102 HydrophobicContact CD1-CG1 3.93Å; Y40-V102 HydrophobicContact CD2-CG1 4.4Å; Y40-V102 HydrophobicContact CE1-CB 4.32Å; Y40-V102 HydrophobicContact CE1-CG1 3.48Å; Y40-V102 VanDerWaalsContact CE1-CG1 3.48Å; Y40-V102 HydrophobicContact CE2-CG1 4.02Å; Y40-V102 HydrophobicContact CG-CG1 4.38Å; Y40-Y103 HydrophobicContact CD1-CD2 4.48Å; Y40-Y103 HydrophobicContact CD1-CE2 4.23Å; Y40-Y103 AromaticContact CE1-CD2 3.85Å; Y40-Y103 HydrophobicContact CE1-CD2 3.85Å; Y40-Y103 AromaticContact CE1-CE2 3.69Å; Y40-Y103 HydrophobicContact CE1-CE2 3.69Å; Y40-I106 HydrophobicContact CD1-CD1 4.16Å; Y40-I106 HydrophobicContact CG-CD1 4.2Å
41	F	94.9	Very high	92.6	Very high	34 Å²	34	60 Å²	60	15%	0.149	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	102.7	179.2	-62.3	-100.3	0	0	0	109.1	I27 Q28 Q30 K39 G43 F84	I27-F41 CarbonylContact C-O 3.5Å; I27-F41 VanDerWaalsContact CA-O 3.31Å; I27-F41 WeakPolarHBondContact CA-O 3.42Å; Q28-F41 HydrophobicContact CB-CB 4.17Å; Q28-F41 PolarHBondContact N-O 3.45Å; Q28-F41 PolarHBondContact O-N 3.32Å; Q30-F41 HydrophobicContact CB-CE2 3.91Å; Q30-F41 HydrophobicContact CG-CD2 4.2Å; Q30-F41 HydrophobicContact CG-CE2 3.56Å; Q30-F41 HydrophobicContact CG-CZ 4.36Å; Q30-F41 VanDerWaalsContact OE1-CZ 3.31Å; K39-F41 HydrophobicContact CB-CE2 4.16Å; K39-F41 HydrophobicContact CD-CE1 4.34Å; K39-F41 HydrophobicContact CD-CE2 3.64Å; K39-F41 HydrophobicContact CD-CZ 3.41Å; K39-F41 VanDerWaalsContact CD-CZ 3.41Å; K39-F41 HydrophobicContact CG-CD2 4.36Å; K39-F41 HydrophobicContact CG-CE2 3.59Å; K39-F41 HydrophobicContact CG-CZ 3.82Å; F41-G43 PolarHBondContact O-N 2.93Å; F41-F84 HydrophobicContact CD1-CB 3.82Å; F41-F84 HydrophobicContact CE1-CB 3.78Å; F41-F84 HydrophobicContact CG-CB 4.36Å; F41-F84 HydrophobicContact CZ-CB 4.26Å
42	P	91.9	Very high	92.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.013	35%	0.352	C	S	.	.			trans	-74.3	-3.8	-178.2	28.4	-32.9	0	0	0	114	L25 K44 V46 I106 Y110	L25-P42 WeakPolarHBondContact CD1-O 3.25Å; P42-K44 PolarHBondContact O-N 3.05Å; P42-V46 HydrophobicContact CG-CG2 3.93Å; P42-I106 HydrophobicContact CB-CG2 4.26Å; P42-Y110 HydrophobicContact CB-CD2 4.07Å; P42-Y110 HydrophobicContact CB-CE2 3.49Å; P42-Y110 VanDerWaalsContact CB-CE2 3.49Å; P42-Y110 HydrophobicContact CG-CE2 3.71Å; P42-Y110 WeakPolarHBondContact CG-OH 3.19Å
43	G	89.2	Confident	92.6	Very high	73 Å²	73	56.3 Å²	56.3	75%	0.753	36%	0.36	S	S	*	.	S	Bend	trans	73.8	9.2	-175.7	0	0	0	0	0	114.1	F41	F41-G43 PolarHBondContact O-N 2.93Å
44	K	88.2	Confident	92.7	Very high	80 Å²	80	49.6 Å²	49.6	35%	0.348	32%	0.316	S	S	.	.	S	Bend	trans	-127.9	150.5	173.5	-68.5	-178.1	-179.9	177.3	0	108.9	L25 P42 V46 Y110	L25-K44 HydrophobicContact CD1-CD 4.18Å; L25-K44 HydrophobicContact CD1-CG 4.42Å; P42-K44 PolarHBondContact O-N 3.05Å; K44-V46 PolarHBondContact O-N 3.34Å; K44-Y110 HydrophobicContact CB-CE1 4.05Å; K44-Y110 HydrophobicContact CD-CD1 3.85Å; K44-Y110 HydrophobicContact CD-CE1 4.12Å
45	P	90.5	Very high	92.8	Very high	92 Å²	92	48.3 Å²	48.3	60%	0.597	31%	0.312	S	S	*	.			trans	-60.1	134.9	171.5	26.1	-33.4	0	0	0	109.9
46	V	91.6	Very high	92.7	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.055	29%	0.293	C	S	.	.	S	Bend	trans	-90.8	-58.4	179.3	179.6	0	0	0	0	108.8	P42 K44 F80 P82 I85 Y110 V116	P42-V46 HydrophobicContact CG-CG2 3.93Å; K44-V46 PolarHBondContact O-N 3.34Å; V46-F80 HydrophobicContact CG1-CB 4.1Å; V46-F80 HydrophobicContact CG1-CD1 4.28Å; V46-F80 HydrophobicContact CG1-CD2 4.19Å; V46-F80 HydrophobicContact CG1-CG 3.95Å; V46-P82 PolarHBondContact N-O 2.83Å; V46-I85 HydrophobicContact CG1-CG1 4.04Å; V46-I85 HydrophobicContact CG2-CD1 4.27Å; V46-I85 HydrophobicContact CG2-CG1 3.91Å; V46-Y110 WeakPolarHBondContact CG2-OH 3.48Å; V46-V116 HydrophobicContact CG1-CG1 3.88Å
47	L	90	Very high	92.5	Very high	43 Å²	43	47 Å²	47	23%	0.225	31%	0.307	C	S	.	.	S	Bend	trans	-107.1	-22.6	172.9	-65.1	177.2	0	0	0	112.3	S49 R52 F80 P82 V117	L47-S49 PolarHBondContact O-N 3.3Å; L47-R52 HydrophobicContact CD1-CB 3.98Å; L47-F80 HydrophobicContact CD1-CB 3.7Å; L47-F80 HydrophobicContact CD2-CD2 4.43Å; L47-F80 HydrophobicContact CG-CB 3.99Å; L47-P82 PolarHBondContact N-O 2.81Å; L47-P82 VanDerWaalsContact N-O 3.14Å; L47-V117 HydrophobicContact CD2-CG2 3.45Å; L47-V117 VanDerWaalsContact CD2-CG2 3.45Å
48	G	86.5	Confident	92.3	Very high	51 Å²	51	52 Å²	52	53%	0.526	34%	0.337	S	S	.	.	S	Bend	trans	75.5	-35.9	-173.6	0	0	0	0	0	113.9	P82	G48-P82 PolarHBondContact N-O 3.27Å
49	S	87.6	Confident	91.9	Very high	96 Å²	96	56.5 Å²	56.5	67%	0.671	36%	0.358	S	S	*	.	S	Bend	trans	-152	154.4	173.3	64.1	0	0	0	0	111.3	L47	L47-S49 PolarHBondContact O-N 3.3Å
50	G	91.3	Very high	91.6	Very high	49 Å²	49	54.2 Å²	54.2	51%	0.505	35%	0.348	S	S	.	.	S	Bend	trans	71.4	-169.5	-178.1	0	0	0	0	0	113.6
51	T	93.6	Very high	91.1	Very high	93 Å²	93	58.3 Å²	58.3	57%	0.571	37%	0.373	S	S	*	.			trans	-139.2	157.2	179.5	58.9	0	0	0	0	109.8	F79 F80	T51-F79 VanDerWaalsContact CB-CZ 3.47Å; T51-F79 HydrophobicContact CG2-CE1 4.23Å; T51-F79 HydrophobicContact CG2-CZ 3.63Å; T51-F80 CarbonylContact C-O 3.5Å; T51-F80 WeakPolarHBondContact CA-O 3.34Å
52	R	93.1	Very high	90.8	Very high	61 Å²	61	57.4 Å²	57.4	23%	0.23	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	125.2	173.8	-167.3	168.2	-67.6	171.2	9.1	111	L47 F54 F79 F80	L47-R52 HydrophobicContact CD1-CB 3.98Å; R52-F54 HydrophobicContact CB-CE2 4.12Å; R52-F54 HydrophobicContact CB-CZ 4.37Å; R52-F54 HydrophobicContact CG-CD2 4.46Å; R52-F54 HydrophobicContact CG-CE1 4.16Å; R52-F54 HydrophobicContact CG-CE2 3.75Å; R52-F54 HydrophobicContact CG-CZ 3.62Å; R52-F79 WeakPolarHBondContact O-CA 3.36Å; R52-F80 PolarHBondContact N-O 3.37Å; R52-F80 PolarHBondContact O-N 3.24Å
53	D	95.1	Very high	90.9	Very high	77 Å²	77	57.3 Å²	57.3	41%	0.412	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.7	174.6	-177.5	-47.2	0	0	0	109.7	P55 F79	D53-P55 WeakPolarHBondContact OD1-CD 3.45Å; D53-F79 HydrophobicContact CB-CD2 4.11Å
54	F	95.7	Very high	91.1	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.013	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	99.9	166.1	-55.2	-84.1	0	0	0	108.8	R52 S56 Q59 S62 A66 F70 R77 V78 F80	R52-F54 HydrophobicContact CB-CE2 4.12Å; R52-F54 HydrophobicContact CB-CZ 4.37Å; R52-F54 HydrophobicContact CG-CD2 4.46Å; R52-F54 HydrophobicContact CG-CE1 4.16Å; R52-F54 HydrophobicContact CG-CE2 3.75Å; R52-F54 HydrophobicContact CG-CZ 3.62Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 3.02Å; F54-Q59 WeakPolarHBondContact CD1-O 3.34Å; F54-S62 VanDerWaalsContact CE1-OG 3.32Å; F54-S62 WeakPolarHBondContact CE1-OG 3.4Å; F54-A66 HydrophobicContact CD1-CB 4.3Å; F54-A66 HydrophobicContact CD2-CB 3.94Å; F54-A66 HydrophobicContact CE1-CB 4.31Å; F54-A66 HydrophobicContact CE2-CB 3.99Å; F54-A66 HydrophobicContact CG-CB 4.08Å; F54-A66 HydrophobicContact CZ-CB 4.14Å; F54-F70 HydrophobicContact CB-CE2 3.77Å; F54-F70 HydrophobicContact CB-CZ 3.94Å; F54-F70 WeakPolarHBondContact O-CZ 3.38Å; F54-R77 WeakPolarHBondContact O-CG 3.23Å; F54-V78 WeakPolarHBondContact CA-O 3.49Å; F54-V78 HydrophobicContact CB-CB 4.41Å; F54-V78 WeakPolarHBondContact CB-O 3.47Å; F54-V78 PolarHBondContact N-O 3.45Å; F54-V78 PolarHBondContact O-N 3.42Å; F54-F80 HydrophobicContact CD2-CD2 4.48Å; F54-F80 HydrophobicContact CD2-CE2 4.47Å; F54-F80 AromaticContact CE2-CD2 3.56Å; F54-F80 HydrophobicContact CE2-CD2 3.56Å; F54-F80 AromaticContact CE2-CE2 3.63Å; F54-F80 HydrophobicContact CE2-CE2 3.63Å; F54-F80 HydrophobicContact CE2-CG 4.12Å; F54-F80 HydrophobicContact CE2-CZ 4.26Å; F54-F80 HydrophobicContact CZ-CD2 4.33Å; F54-F80 HydrophobicContact CZ-CE2 4.25Å
55	P	93.8	Very high	91.4	Very high	43 Å²	43	51 Å²	51	28%	0.279	32%	0.324	S	S	.	.			trans	-86.7	-7.1	-175.6	34.8	-33.8	0	0	0	112.3	D53 Q59	D53-P55 WeakPolarHBondContact OD1-CD 3.45Å; P55-Q59 VanDerWaalsContact CG-NE2 3.25Å
56	S	92.5	Very high	91.6	Very high	38 Å²	38	46.6 Å²	46.6	27%	0.266	30%	0.296	S	S	.	.	S	Bend	trans	-157.9	158.3	-179.9	55.3	0	0	0	0	111.4	F54 T58 Q59	F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 3.02Å; S56-T58 PolarHBondContact O-N 3.39Å; S56-T58 PolarHBondContact OG-OG1 2.65Å; S56-Q59 PolarHBondContact O-N 2.91Å; S56-Q59 VanDerWaalsContact O-N 3.13Å; S56-Q59 PolarHBondContact OG-NE2 2.75Å
57	C	91.6	Very high	91.8	Very high	71 Å²	71	52.1 Å²	52.1	48%	0.48	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-57	-33.7	178.7	-176.6	0	0	0	0	113	Q59 S60 F70	C57-Q59 VanDerWaalsContact C-N 3.28Å; C57-Q59 PolarHBondContact O-N 3.11Å; C57-S60 VanDerWaalsContact O-CB 3.27Å; C57-S60 WeakPolarHBondContact O-CB 3.32Å; C57-S60 PolarHBondContact O-N 2.91Å; C57-S60 VanDerWaalsContact O-N 3.14Å; C57-S60 PolarHBondContact O-OG 3.21Å; C57-F70 HydrophobicContact CB-CB 4Å; C57-F70 HydrophobicContact CB-CD1 4.28Å; C57-F70 HydrophobicContact CB-CD2 4.47Å; C57-F70 HydrophobicContact CB-CG 4.02Å
58	T	91	Very high	92	Very high	113 Å²	113	52.1 Å²	52.1	69%	0.693	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-65.5	-29.4	179.8	56.3	0	0	0	0	113.2	S56 S60 T61	S56-T58 PolarHBondContact O-N 3.39Å; S56-T58 PolarHBondContact OG-OG1 2.65Å; T58-S60 VanDerWaalsContact C-N 3.33Å; T58-T61 PolarHBondContact O-OG1 3.06Å
59	Q	89.5	Confident	92.4	Very high	108 Å²	108	49.7 Å²	49.7	51%	0.505	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-85.7	-9.1	178.7	-66.2	-179.1	66.3	0	0	112.6	F54 P55 S56 C57 T61	F54-Q59 WeakPolarHBondContact CD1-O 3.34Å; P55-Q59 VanDerWaalsContact CG-NE2 3.25Å; S56-Q59 PolarHBondContact O-N 2.91Å; S56-Q59 VanDerWaalsContact O-N 3.13Å; S56-Q59 PolarHBondContact OG-NE2 2.75Å; C57-Q59 VanDerWaalsContact C-N 3.28Å; C57-Q59 PolarHBondContact O-N 3.11Å; Q59-T61 PolarHBondContact O-N 2.85Å
60	S	89.4	Confident	92.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-71.4	-5.3	179.2	77.8	0	0	0	0	114.6	C57 T58 S62 S63 R67 F70	C57-S60 VanDerWaalsContact O-CB 3.27Å; C57-S60 WeakPolarHBondContact O-CB 3.32Å; C57-S60 PolarHBondContact O-N 2.91Å; C57-S60 VanDerWaalsContact O-N 3.14Å; C57-S60 PolarHBondContact O-OG 3.21Å; T58-S60 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 3.2Å; S60-S63 CarbonylContact O-C 3.44Å; S60-S63 PolarHBondContact O-N 3.28Å; S60-R67 WeakPolarHBondContact OG-CA 3.45Å; S60-F70 VanDerWaalsContact CB-CD2 3.49Å
61	T	87.2	Confident	93	Very high	85 Å²	85	52.7 Å²	52.7	52%	0.521	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-58.1	-26.7	-176.5	-42.9	0	0	0	0	113.5	T58 Q59 S63 S118	T58-T61 PolarHBondContact O-OG1 3.06Å; Q59-T61 PolarHBondContact O-N 2.85Å; T61-S63 PolarHBondContact O-N 3.26Å; T61-S118 PolarHBondContact O-OG 3.16Å
62	S	88.1	Confident	93.1	Very high	15 Å²	15	48.9 Å²	48.9	11%	0.105	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-78	-5.2	177.8	69.1	0	0	0	0	114.1	F54 S60 V117 S118	F54-S62 VanDerWaalsContact CE1-OG 3.32Å; F54-S62 WeakPolarHBondContact CE1-OG 3.4Å; S60-S62 PolarHBondContact O-N 3.2Å; S62-V117 CarbonylContact O-C 3.52Å; S62-V117 WeakPolarHBondContact O-CA 3.29Å; S62-S118 VanDerWaalsContact C-OG 3.28Å; S62-S118 WeakPolarHBondContact CA-OG 3.43Å; S62-S118 PolarHBondContact O-N 2.99Å; S62-S118 PolarHBondContact O-OG 2.97Å; S62-S118 VanDerWaalsContact O-OG 3.11Å
63	S	92.7	Very high	93.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	27%	0.271	C	S	.	.			trans	-139.8	116.3	177.8	172.4	0	0	0	0	111.8	S60 T61 L65 A66 R67 F80 V116	S60-S63 CarbonylContact O-C 3.44Å; S60-S63 PolarHBondContact O-N 3.28Å; T61-S63 PolarHBondContact O-N 3.26Å; S63-L65 PolarHBondContact O-N 3.21Å; S63-L65 PolarHBondContact OG-N 3.3Å; S63-A66 PolarHBondContact O-N 3.25Å; S63-A66 PolarHBondContact OG-N 3.19Å; S63-A66 VanDerWaalsContact OG-N 3.08Å; S63-R67 PolarHBondContact O-N 3.45Å; S63-F80 VanDerWaalsContact OG-CE2 3.31Å; S63-F80 WeakPolarHBondContact OG-CE2 3.36Å; S63-V116 WeakPolarHBondContact CA-O 3.3Å; S63-V116 WeakPolarHBondContact CB-O 3.43Å; S63-V116 PolarHBondContact OG-O 2.79Å
64	P	93.5	Very high	93.2	Very high	20 Å²	20	50.3 Å²	50.3	13%	0.13	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-34.9	172.7	-23.3	33.7	0	0	0	112.9	Q68 F109	P64-Q68 WeakPolarHBondContact O-CG 3.34Å; P64-Q68 PolarHBondContact O-N 2.99Å; P64-Q68 VanDerWaalsContact O-N 3.11Å; P64-F109 HydrophobicContact CB-CE2 4.09Å
65	L	94.9	Very high	93.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-49.4	175.7	175.2	60.4	0	0	0	111.6	S63 R67 Q68 L69 F80 I85 F109 V116	S63-L65 PolarHBondContact O-N 3.21Å; S63-L65 PolarHBondContact OG-N 3.3Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 3.46Å; L65-Q68 PolarHBondContact O-N 2.84Å; L65-Q68 VanDerWaalsContact O-N 3.09Å; L65-L69 HydrophobicContact CD1-CD1 4.22Å; L65-L69 HydrophobicContact CD1-CG 4.27Å; L65-L69 HydrophobicContact CG-CD1 4.15Å; L65-L69 WeakPolarHBondContact O-CG 3.24Å; L65-L69 PolarHBondContact O-N 3.31Å; L65-F80 HydrophobicContact CB-CZ 4.14Å; L65-F80 HydrophobicContact CD2-CE1 4.17Å; L65-F80 HydrophobicContact CD2-CE2 4.4Å; L65-F80 HydrophobicContact CD2-CZ 3.77Å; L65-F80 HydrophobicContact CG-CE1 4.43Å; L65-F80 HydrophobicContact CG-CZ 3.83Å; L65-I85 HydrophobicContact CD2-CD1 3.81Å; L65-F109 HydrophobicContact CB-CD1 4.04Å; L65-F109 HydrophobicContact CB-CD2 3.89Å; L65-F109 HydrophobicContact CB-CE1 3.97Å; L65-F109 HydrophobicContact CB-CE2 3.82Å; L65-F109 HydrophobicContact CB-CG 4.01Å; L65-F109 HydrophobicContact CB-CZ 3.86Å; L65-F109 HydrophobicContact CD1-CB 3.74Å; L65-F109 HydrophobicContact CD1-CD1 3.87Å; L65-F109 HydrophobicContact CD1-CD2 4.13Å; L65-F109 HydrophobicContact CD1-CG 3.6Å; L65-F109 HydrophobicContact CD2-CD1 4.1Å; L65-F109 HydrophobicContact CD2-CE1 4.29Å; L65-F109 HydrophobicContact CG-CD1 4.22Å; L65-F109 HydrophobicContact CG-CG 4.26Å; L65-V116 HydrophobicContact CD2-CG1 4.16Å
66	A	95.6	Very high	93.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-43.4	178.6	0	0	0	0	0	110.6	F54 S63 Q68 L69 F70 F80	F54-A66 HydrophobicContact CD1-CB 4.3Å; F54-A66 HydrophobicContact CD2-CB 3.94Å; F54-A66 HydrophobicContact CE1-CB 4.31Å; F54-A66 HydrophobicContact CE2-CB 3.99Å; F54-A66 HydrophobicContact CG-CB 4.08Å; F54-A66 HydrophobicContact CZ-CB 4.14Å; S63-A66 PolarHBondContact O-N 3.25Å; S63-A66 PolarHBondContact OG-N 3.19Å; S63-A66 VanDerWaalsContact OG-N 3.08Å; A66-Q68 VanDerWaalsContact C-N 3.28Å; A66-Q68 PolarHBondContact O-N 2.86Å; A66-L69 PolarHBondContact O-N 3.06Å; A66-L69 VanDerWaalsContact O-N 3.16Å; A66-F70 HydrophobicContact CB-CE2 4.42Å; A66-F70 WeakPolarHBondContact O-CD2 3.47Å; A66-F70 PolarHBondContact O-N 3.08Å; A66-F80 HydrophobicContact CB-CE2 4.22Å; A66-F80 HydrophobicContact CB-CZ 3.89Å
67	R	94.5	Very high	93.5	Very high	125 Å²	125	57 Å²	57	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-35.8	176.9	-174.1	177.5	61.7	171.6	-3	112.9	S60 S63 L65 R71	S60-R67 WeakPolarHBondContact OG-CA 3.45Å; S63-R67 PolarHBondContact O-N 3.45Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 3.46Å; R67-R71 WeakPolarHBondContact O-CG 3.31Å
68	Q	94.8	Very high	93.7	Very high	43 Å²	43	53.6 Å²	53.6	20%	0.201	26%	0.255	C	S	.	.	H	α-helix	trans	-71	-41.3	175.2	-70.4	178.3	36.3	0	0	111.4	P64 L65 A66 F70 R71 T105	P64-Q68 WeakPolarHBondContact O-CG 3.34Å; P64-Q68 PolarHBondContact O-N 2.99Å; P64-Q68 VanDerWaalsContact O-N 3.11Å; L65-Q68 PolarHBondContact O-N 2.84Å; L65-Q68 VanDerWaalsContact O-N 3.09Å; A66-Q68 VanDerWaalsContact C-N 3.28Å; A66-Q68 PolarHBondContact O-N 2.86Å; Q68-F70 VanDerWaalsContact C-N 3.34Å; Q68-F70 PolarHBondContact O-N 2.84Å; Q68-R71 VanDerWaalsContact O-CB 3.32Å; Q68-R71 WeakPolarHBondContact O-CB 3.37Å; Q68-R71 PolarHBondContact O-N 3.4Å; Q68-T105 HydrophobicContact CB-CG2 3.6Å
69	L	95.9	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-38.5	177.5	-70	170.7	0	0	0	112.6	L65 A66 R71 I72 V78 F80 I85 I87 V102 T105 I106	L65-L69 HydrophobicContact CD1-CD1 4.22Å; L65-L69 HydrophobicContact CD1-CG 4.27Å; L65-L69 HydrophobicContact CG-CD1 4.15Å; L65-L69 WeakPolarHBondContact O-CG 3.24Å; L65-L69 PolarHBondContact O-N 3.31Å; A66-L69 PolarHBondContact O-N 3.06Å; A66-L69 VanDerWaalsContact O-N 3.16Å; L69-R71 PolarHBondContact O-N 3Å; L69-I72 HydrophobicContact CD2-CD1 4.14Å; L69-I72 WeakPolarHBondContact O-CB 3.38Å; L69-I72 PolarHBondContact O-N 3.31Å; L69-I72 VanDerWaalsContact O-N 3.16Å; L69-V78 HydrophobicContact CB-CG2 4.02Å; L69-V78 HydrophobicContact CD1-CG1 3.79Å; L69-V78 HydrophobicContact CD1-CG2 4.35Å; L69-F80 HydrophobicContact CD1-CE1 4.2Å; L69-I85 HydrophobicContact CD1-CG2 4.09Å; L69-I87 HydrophobicContact CD1-CD1 4.32Å; L69-I87 HydrophobicContact CD2-CD1 3.89Å; L69-V102 HydrophobicContact CD2-CG1 4.34Å; L69-T105 HydrophobicContact CD2-CG2 3.95Å; L69-T105 HydrophobicContact CG-CG2 4.34Å; L69-I106 HydrophobicContact CD2-CG1 4.15Å
70	F	96.3	Very high	94.3	Very high	25 Å²	25	45.8 Å²	45.8	11%	0.11	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.5	174.9	-77.4	-64.3	0	0	0	114.8	F54 C57 S60 A66 Q68 I72 V75 E76 V78	F54-F70 HydrophobicContact CB-CE2 3.77Å; F54-F70 HydrophobicContact CB-CZ 3.94Å; F54-F70 WeakPolarHBondContact O-CZ 3.38Å; C57-F70 HydrophobicContact CB-CB 4Å; C57-F70 HydrophobicContact CB-CD1 4.28Å; C57-F70 HydrophobicContact CB-CD2 4.47Å; C57-F70 HydrophobicContact CB-CG 4.02Å; S60-F70 VanDerWaalsContact CB-CD2 3.49Å; A66-F70 HydrophobicContact CB-CE2 4.42Å; A66-F70 WeakPolarHBondContact O-CD2 3.47Å; A66-F70 PolarHBondContact O-N 3.08Å; Q68-F70 VanDerWaalsContact C-N 3.34Å; Q68-F70 PolarHBondContact O-N 2.84Å; F70-I72 VanDerWaalsContact C-N 3.29Å; F70-V75 HydrophobicContact CD1-CG1 4.19Å; F70-V75 HydrophobicContact CE1-CG1 4.39Å; F70-E76 WeakPolarHBondContact CE1-O 3.37Å; F70-V78 HydrophobicContact CD2-CG2 4.46Å; F70-V78 HydrophobicContact CE1-CG2 4.15Å; F70-V78 HydrophobicContact CE2-CB 4.2Å; F70-V78 HydrophobicContact CE2-CG2 4.02Å; F70-V78 HydrophobicContact CZ-CB 4.09Å; F70-V78 HydrophobicContact CZ-CG2 3.85Å
71	R	95	Very high	94.5	Very high	182 Å²	182	45.6 Å²	45.6	69%	0.687	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-17.2	172.6	-65.7	173.3	178	-172.1	-5.8	112.4	R67 Q68 L69	R67-R71 WeakPolarHBondContact O-CG 3.31Å; Q68-R71 VanDerWaalsContact O-CB 3.32Å; Q68-R71 WeakPolarHBondContact O-CB 3.37Å; Q68-R71 PolarHBondContact O-N 3.4Å; L69-R71 PolarHBondContact O-N 3Å
72	I	95.5	Very high	94.8	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.072	20%	0.197	C	C	.	.	S	Bend	trans	-76.6	125.8	178.4	-55	167	0	0	0	107.7	L69 F70 G74 V75 I98 D101 V102	L69-I72 HydrophobicContact CD2-CD1 4.14Å; L69-I72 WeakPolarHBondContact O-CB 3.38Å; L69-I72 PolarHBondContact O-N 3.31Å; L69-I72 VanDerWaalsContact O-N 3.16Å; F70-I72 VanDerWaalsContact C-N 3.29Å; I72-G74 PolarHBondContact O-N 2.8Å; I72-V75 HydrophobicContact CB-CG2 3.9Å; I72-V75 HydrophobicContact CG2-CG2 4.16Å; I72-V75 PolarHBondContact O-N 2.8Å; I72-I98 HydrophobicContact CG2-CG2 4.33Å; I72-D101 HydrophobicContact CD1-CB 4.18Å; I72-D101 HydrophobicContact CG1-CB 4.17Å; I72-D101 HydrophobicContact CG2-CB 3.69Å; I72-V102 HydrophobicContact CD1-CB 4.26Å; I72-V102 HydrophobicContact CD1-CG2 3.68Å
73	E	94.8	Very high	95.1	Very high	153 Å²	153	47 Å²	47	72%	0.715	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	133.5	178	-63.5	-174.1	171.5	0	0	110.5	F93	E73-F93 HydrophobicContact CB-CE1 3.9Å; E73-F93 HydrophobicContact CB-CZ 4.11Å
74	G	94.4	Very high	95.2	Very high	14 Å²	14	48.6 Å²	48.6	14%	0.144	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-6.2	-178.8	0	0	0	0	0	115.7	I72 E76 K89 N90 F93	I72-G74 PolarHBondContact O-N 2.8Å; G74-E76 PolarHBondContact O-N 3.28Å; G74-K89 CarbonylContact O-C 3.53Å; G74-K89 WeakPolarHBondContact O-CA 3.29Å; G74-N90 PolarHBondContact O-N 2.88Å; G74-F93 VanDerWaalsContact CA-CD2 3.46Å
75	V	96.6	Very high	95.4	Very high	16 Å²	16	47.6 Å²	47.6	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115.4	172.4	175	0	0	0	0	110.8	F70 I72 V78 I87 I98	F70-V75 HydrophobicContact CD1-CG1 4.19Å; F70-V75 HydrophobicContact CE1-CG1 4.39Å; I72-V75 HydrophobicContact CB-CG2 3.9Å; I72-V75 HydrophobicContact CG2-CG2 4.16Å; I72-V75 PolarHBondContact O-N 2.8Å; V75-V78 HydrophobicContact CG1-CG2 3.72Å; V75-I87 HydrophobicContact CB-CG2 4.44Å; V75-I87 HydrophobicContact CG1-CG2 3.88Å; V75-I87 HydrophobicContact CG2-CG2 3.9Å; V75-I98 HydrophobicContact CG2-CG2 4.18Å
76	E	95.5	Very high	95.5	Very high	103 Å²	103	48.7 Å²	48.7	48%	0.481	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-43.6	-177.9	-171	-169.2	167.3	0	0	112.6	F70 G74 T88	F70-E76 WeakPolarHBondContact CE1-O 3.37Å; G74-E76 PolarHBondContact O-N 3.28Å; E76-T88 PolarHBondContact N-O 2.94Å
77	R	96.3	Very high	95.5	Very high	105 Å²	105	48.7 Å²	48.7	40%	0.396	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	144.6	-176.8	173.1	177.7	-53.1	174	7.8	110.8	F54 T88	F54-R77 WeakPolarHBondContact O-CG 3.23Å; R77-T88 PolarHBondContact N-O 3.29Å; R77-T88 PolarHBondContact O-N 2.85Å
78	V	96.9	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.8	177.3	179.6	0	0	0	0	108.6	F54 L69 F70 V75 F80 I85	F54-V78 WeakPolarHBondContact CA-O 3.49Å; F54-V78 HydrophobicContact CB-CB 4.41Å; F54-V78 WeakPolarHBondContact CB-O 3.47Å; F54-V78 PolarHBondContact N-O 3.45Å; F54-V78 PolarHBondContact O-N 3.42Å; L69-V78 HydrophobicContact CB-CG2 4.02Å; L69-V78 HydrophobicContact CD1-CG1 3.79Å; L69-V78 HydrophobicContact CD1-CG2 4.35Å; F70-V78 HydrophobicContact CD2-CG2 4.46Å; F70-V78 HydrophobicContact CE1-CG2 4.15Å; F70-V78 HydrophobicContact CE2-CB 4.2Å; F70-V78 HydrophobicContact CE2-CG2 4.02Å; F70-V78 HydrophobicContact CZ-CB 4.09Å; F70-V78 HydrophobicContact CZ-CG2 3.85Å; V75-V78 HydrophobicContact CG1-CG2 3.72Å; V78-F80 HydrophobicContact CG1-CD1 3.93Å; V78-F80 HydrophobicContact CG1-CE1 3.36Å; V78-F80 HydrophobicContact CG1-CZ 4.06Å; V78-I85 HydrophobicContact CG1-CG2 4.21Å
79	F	96.3	Very high	95.7	Very high	57 Å²	57	42.5 Å²	42.5	25%	0.25	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.4	177.8	173.8	-86.6	0	0	0	110	T51 R52 D53 F84 I85 T86	T51-F79 VanDerWaalsContact CB-CZ 3.47Å; T51-F79 HydrophobicContact CG2-CE1 4.23Å; T51-F79 HydrophobicContact CG2-CZ 3.63Å; R52-F79 WeakPolarHBondContact O-CA 3.36Å; D53-F79 HydrophobicContact CB-CD2 4.11Å; F79-F84 AromaticContact CD1-CE2 3.9Å; F79-F84 HydrophobicContact CD1-CE2 3.9Å; F79-F84 AromaticContact CE1-CE2 3.68Å; F79-F84 HydrophobicContact CE1-CE2 3.68Å; F79-F84 AromaticContact CE1-CZ 3.96Å; F79-F84 HydrophobicContact CE1-CZ 3.96Å; F79-I85 CarbonylContact O-C 3.59Å; F79-I85 WeakPolarHBondContact O-CA 3.4Å; F79-T86 PolarHBondContact N-O 3.47Å; F79-T86 PolarHBondContact O-N 3.35Å
80	F	96.2	Very high	95.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125	176.1	-64.8	-15.8	0	0	0	110.5	V46 L47 T51 R52 F54 S63 L65 A66 L69 V78 I85 V116	V46-F80 HydrophobicContact CG1-CB 4.1Å; V46-F80 HydrophobicContact CG1-CD1 4.28Å; V46-F80 HydrophobicContact CG1-CD2 4.19Å; V46-F80 HydrophobicContact CG1-CG 3.95Å; L47-F80 HydrophobicContact CD1-CB 3.7Å; L47-F80 HydrophobicContact CD2-CD2 4.43Å; L47-F80 HydrophobicContact CG-CB 3.99Å; T51-F80 CarbonylContact C-O 3.5Å; T51-F80 WeakPolarHBondContact CA-O 3.34Å; R52-F80 PolarHBondContact N-O 3.37Å; R52-F80 PolarHBondContact O-N 3.24Å; F54-F80 HydrophobicContact CD2-CD2 4.48Å; F54-F80 HydrophobicContact CD2-CE2 4.47Å; F54-F80 AromaticContact CE2-CD2 3.56Å; F54-F80 HydrophobicContact CE2-CD2 3.56Å; F54-F80 AromaticContact CE2-CE2 3.63Å; F54-F80 HydrophobicContact CE2-CE2 3.63Å; F54-F80 HydrophobicContact CE2-CG 4.12Å; F54-F80 HydrophobicContact CE2-CZ 4.26Å; F54-F80 HydrophobicContact CZ-CD2 4.33Å; F54-F80 HydrophobicContact CZ-CE2 4.25Å; S63-F80 VanDerWaalsContact OG-CE2 3.31Å; S63-F80 WeakPolarHBondContact OG-CE2 3.36Å; L65-F80 HydrophobicContact CB-CZ 4.14Å; L65-F80 HydrophobicContact CD2-CE1 4.17Å; L65-F80 HydrophobicContact CD2-CE2 4.4Å; L65-F80 HydrophobicContact CD2-CZ 3.77Å; L65-F80 HydrophobicContact CG-CE1 4.43Å; L65-F80 HydrophobicContact CG-CZ 3.83Å; A66-F80 HydrophobicContact CB-CE2 4.22Å; A66-F80 HydrophobicContact CB-CZ 3.89Å; L69-F80 HydrophobicContact CD1-CE1 4.2Å; V78-F80 HydrophobicContact CG1-CD1 3.93Å; V78-F80 HydrophobicContact CG1-CE1 3.36Å; V78-F80 HydrophobicContact CG1-CZ 4.06Å; F80-I85 HydrophobicContact CD1-CB 4.23Å; F80-I85 HydrophobicContact CD1-CG1 3.84Å; F80-I85 HydrophobicContact CD1-CG2 3.85Å; F80-I85 HydrophobicContact CE1-CB 4.41Å; F80-I85 HydrophobicContact CE1-CD1 4.47Å; F80-I85 HydrophobicContact CE1-CG1 3.98Å; F80-I85 HydrophobicContact CE1-CG2 3.71Å; F80-V116 HydrophobicContact CD2-CG1 4.18Å; F80-V116 HydrophobicContact CE2-CG1 3.93Å
81	G	94.7	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.			trans	-92.9	-170.7	164	0	0	0	0	0	112.1	D83 F84	G81-D83 VanDerWaalsContact C-N 3.27Å; G81-D83 PolarHBondContact O-N 3.36Å; G81-F84 PolarHBondContact N-O 3.37Å
82	P	93.2	Very high	95.5	Very high	42 Å²	42	47 Å²	47	27%	0.273	24%	0.238	S	C	.	.	S	Bend	trans	-59.9	-39.7	177.8	-21.2	32.3	0	0	0	112.3	V46 L47 G48	V46-P82 PolarHBondContact N-O 2.83Å; L47-P82 PolarHBondContact N-O 2.81Å; L47-P82 VanDerWaalsContact N-O 3.14Å; G48-P82 PolarHBondContact N-O 3.27Å
83	D	93.7	Very high	95.4	Very high	87 Å²	87	49.3 Å²	49.3	47%	0.465	25%	0.248	S	C	.	.	S	Bend	trans	-144.1	8.9	-166.9	42.1	-7.7	0	0	0	113.1	G81	G81-D83 VanDerWaalsContact C-N 3.27Å; G81-D83 PolarHBondContact O-N 3.36Å
84	F	94.8	Very high	95.4	Very high	34 Å²	34	48.4 Å²	48.4	15%	0.149	24%	0.244	C	C	.	.			trans	-138.4	158.2	178.1	66	-96.9	0	0	0	112.5	K39 Y40 F41 F79 G81	K39-F84 HydrophobicContact CD-CB 4.34Å; K39-F84 HydrophobicContact CD-CD2 4.02Å; K39-F84 HydrophobicContact CD-CE2 4.45Å; K39-F84 HydrophobicContact CD-CG 4.16Å; K39-F84 VanDerWaalsContact CE-CB 3.41Å; K39-F84 HydrophobicContact CG-CB 3.96Å; K39-F84 HydrophobicContact CG-CD2 3.83Å; K39-F84 HydrophobicContact CG-CG 4.11Å; Y40-F84 CarbonylContact O-C 3.58Å; Y40-F84 VanDerWaalsContact O-CA 3.28Å; Y40-F84 WeakPolarHBondContact O-CA 3.4Å; F41-F84 HydrophobicContact CD1-CB 3.82Å; F41-F84 HydrophobicContact CE1-CB 3.78Å; F41-F84 HydrophobicContact CG-CB 4.36Å; F41-F84 HydrophobicContact CZ-CB 4.26Å; F79-F84 AromaticContact CD1-CE2 3.9Å; F79-F84 HydrophobicContact CD1-CE2 3.9Å; F79-F84 AromaticContact CE1-CE2 3.68Å; F79-F84 HydrophobicContact CE1-CE2 3.68Å; F79-F84 AromaticContact CE1-CZ 3.96Å; F79-F84 HydrophobicContact CE1-CZ 3.96Å; G81-F84 PolarHBondContact N-O 3.37Å
85	I	96.7	Very high	95.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.6	175.6	-59.9	161.3	0	0	0	107.1	Y40 V46 L65 L69 V78 F79 F80 I87 I106	Y40-I85 PolarHBondContact N-O 3.45Å; Y40-I85 PolarHBondContact O-N 2.89Å; V46-I85 HydrophobicContact CG1-CG1 4.04Å; V46-I85 HydrophobicContact CG2-CD1 4.27Å; V46-I85 HydrophobicContact CG2-CG1 3.91Å; L65-I85 HydrophobicContact CD2-CD1 3.81Å; L69-I85 HydrophobicContact CD1-CG2 4.09Å; V78-I85 HydrophobicContact CG1-CG2 4.21Å; F79-I85 CarbonylContact O-C 3.59Å; F79-I85 WeakPolarHBondContact O-CA 3.4Å; F80-I85 HydrophobicContact CD1-CB 4.23Å; F80-I85 HydrophobicContact CD1-CG1 3.84Å; F80-I85 HydrophobicContact CD1-CG2 3.85Å; F80-I85 HydrophobicContact CE1-CB 4.41Å; F80-I85 HydrophobicContact CE1-CD1 4.47Å; F80-I85 HydrophobicContact CE1-CG1 3.98Å; F80-I85 HydrophobicContact CE1-CG2 3.71Å; I85-I87 HydrophobicContact CG2-CG1 4.05Å; I85-I106 HydrophobicContact CD1-CD1 4.16Å; I85-I106 HydrophobicContact CD1-CG1 4.39Å
86	T	97	Very high	95.3	Very high	22 Å²	22	52.7 Å²	52.7	14%	0.135	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	171.1	-55.1	0	0	0	0	108.7	L38 F79	L38-T86 WeakPolarHBondContact O-CA 3.34Å; F79-T86 PolarHBondContact N-O 3.47Å; F79-T86 PolarHBondContact O-N 3.35Å
87	I	97.2	Very high	95.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130	175.3	-60.2	-176.1	0	0	0	107.4	S37 L38 Y40 L69 V75 I85 W95 V102	S37-I87 VanDerWaalsContact CA-O 3.29Å; S37-I87 WeakPolarHBondContact CA-O 3.14Å; L38-I87 PolarHBondContact N-O 3.33Å; L38-I87 PolarHBondContact O-N 2.84Å; Y40-I87 HydrophobicContact CD2-CD1 4.22Å; Y40-I87 HydrophobicContact CD2-CG1 4.23Å; Y40-I87 HydrophobicContact CE2-CB 4.21Å; Y40-I87 HydrophobicContact CE2-CD1 4.05Å; Y40-I87 HydrophobicContact CE2-CG1 4.22Å; L69-I87 HydrophobicContact CD1-CD1 4.32Å; L69-I87 HydrophobicContact CD2-CD1 3.89Å; V75-I87 HydrophobicContact CB-CG2 4.44Å; V75-I87 HydrophobicContact CG1-CG2 3.88Å; V75-I87 HydrophobicContact CG2-CG2 3.9Å; I85-I87 HydrophobicContact CG2-CG1 4.05Å; I87-W95 HydrophobicContact CB-CH2 4.48Å; I87-W95 HydrophobicContact CG2-CH2 4.31Å; I87-W95 WeakPolarHBondContact O-CH2 3.25Å; I87-V102 HydrophobicContact CD1-CB 4.12Å; I87-V102 HydrophobicContact CD1-CG1 3.3Å; I87-V102 HydrophobicContact CD1-CG2 3.62Å
88	T	96.9	Very high	95.2	Very high	25 Å²	25	47.1 Å²	47.1	15%	0.153	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.9	170.9	-53.9	0	0	0	0	108.3	N36 S37 E76 R77	N36-T88 HydrophobicContact CB-CG2 4.44Å; N36-T88 CarbonylContact O-C 3.53Å; N36-T88 WeakPolarHBondContact O-CA 3.24Å; S37-T88 PolarHBondContact OG-OG1 2.94Å; E76-T88 PolarHBondContact N-O 2.94Å; R77-T88 PolarHBondContact N-O 3.29Å; R77-T88 PolarHBondContact O-N 2.85Å
89	K	95.9	Very high	95	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	158	174.9	68.2	169.7	-169.2	77.1	0	111.4	N36 G74 F93 W95 I98	N36-K89 HydrophobicContact CB-CG 4.25Å; N36-K89 PolarHBondContact O-N 2.64Å; N36-K89 PolarHBondContact OD1-NZ 3.11Å; G74-K89 CarbonylContact O-C 3.53Å; G74-K89 WeakPolarHBondContact O-CA 3.29Å; K89-F93 VanDerWaalsContact CD-O 3.27Å; K89-F93 WeakPolarHBondContact CD-O 3.48Å; K89-F93 VanDerWaalsContact CE-O 3.24Å; K89-F93 WeakPolarHBondContact CE-O 2.97Å; K89-F93 PolarHBondContact NZ-O 3.48Å; K89-W95 HydrophobicContact CB-CH2 3.97Å; K89-W95 HydrophobicContact CB-CZ2 4.08Å; K89-W95 HydrophobicContact CB-CZ3 4.31Å; K89-W95 HydrophobicContact CD-CD2 3.68Å; K89-W95 VanDerWaalsContact CD-CE2 3.48Å; K89-W95 HydrophobicContact CD-CE3 4.24Å; K89-W95 HydrophobicContact CD-CG 3.98Å; K89-W95 HydrophobicContact CD-CH2 4.43Å; K89-W95 HydrophobicContact CD-CZ2 3.91Å; K89-W95 HydrophobicContact CG-CD2 4.37Å; K89-W95 HydrophobicContact CG-CH2 4.1Å; K89-W95 HydrophobicContact CG-CZ2 3.68Å; K89-I98 HydrophobicContact CB-CD1 3.53Å; K89-I98 HydrophobicContact CD-CD1 4.13Å; K89-I98 HydrophobicContact CG-CD1 4.48Å
90	N	95.2	Very high	95	Very high	56 Å²	56	51.8 Å²	51.8	30%	0.299	28%	0.284	S	S	.	.			trans	-67.8	151.7	162.6	-173.3	2.6	0	0	0	110.2	G74 D92 F93	G74-N90 PolarHBondContact O-N 2.88Å; N90-D92 PolarHBondContact ND2-OD2 3.27Å; N90-D92 PolarHBondContact O-N 2.96Å; N90-F93 HydrophobicContact CB-CD2 4.33Å; N90-F93 PolarHBondContact O-N 2.96Å
91	D	93.6	Very high	94.9	Very high	112 Å²	112	55.6 Å²	55.6	60%	0.599	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.7	176.2	-74.5	-32.6	0	0	0	112.6	N36 F93	N36-D91 VanDerWaalsContact CG-OD1 3.23Å; N36-D91 PolarHBondContact ND2-OD1 3.5Å; N36-D91 PolarHBondContact OD1-OD1 2.71Å; D91-F93 PolarHBondContact O-N 3.05Å
92	D	94.2	Very high	95	Very high	135 Å²	135	55.6 Å²	55.6	72%	0.722	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.4	-178	-59.3	-44.5	0	0	0	114.4	N90	N90-D92 PolarHBondContact ND2-OD2 3.27Å; N90-D92 PolarHBondContact O-N 2.96Å
93	F	94.1	Very high	95	Very high	62 Å²	62	56.5 Å²	56.5	27%	0.272	30%	0.303	S	S	.	.	S	Bend	trans	-115.6	143.6	-173.7	-71.5	-100.1	0	0	0	112.2	E73 G74 K89 N90 D91 I98	E73-F93 HydrophobicContact CB-CE1 3.9Å; E73-F93 HydrophobicContact CB-CZ 4.11Å; G74-F93 VanDerWaalsContact CA-CD2 3.46Å; K89-F93 VanDerWaalsContact CD-O 3.27Å; K89-F93 WeakPolarHBondContact CD-O 3.48Å; K89-F93 VanDerWaalsContact CE-O 3.24Å; K89-F93 WeakPolarHBondContact CE-O 2.97Å; K89-F93 PolarHBondContact NZ-O 3.48Å; N90-F93 HydrophobicContact CB-CD2 4.33Å; N90-F93 PolarHBondContact O-N 2.96Å; D91-F93 PolarHBondContact O-N 3.05Å; F93-I98 HydrophobicContact CB-CD1 3.61Å; F93-I98 HydrophobicContact CB-CG1 4.24Å; F93-I98 HydrophobicContact CG-CD1 4.4Å
94	E	94.5	Very high	95	Very high	134 Å²	134	54.3 Å²	54.3	63%	0.626	30%	0.296	S	S	*	.			trans	-90.9	142.8	175.1	-74.7	-63.9	158.3	0	0	111.8	A96 V97 I98	E94-A96 PolarHBondContact O-N 3.02Å; E94-A96 VanDerWaalsContact O-N 3.13Å; E94-V97 PolarHBondContact O-N 3.09Å; E94-I98 PolarHBondContact O-N 3.12Å
95	W	95.1	Very high	95	Very high	37 Å²	37	53.8 Å²	53.8	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-60.2	-26.7	178.2	-80.6	120.8	0	0	0	113.1	P35 N36 L38 I87 K89 V97 I98 K99	P35-W95 PolarHBondContact O-NE1 2.99Å; N36-W95 VanDerWaalsContact O-CZ2 3.3Å; N36-W95 WeakPolarHBondContact O-CZ2 3.44Å; L38-W95 HydrophobicContact CB-CH2 3.99Å; L38-W95 HydrophobicContact CB-CZ2 3.97Å; L38-W95 HydrophobicContact CB-CZ3 4.41Å; L38-W95 HydrophobicContact CD1-CD2 3.43Å; L38-W95 VanDerWaalsContact CD1-CD2 3.43Å; L38-W95 HydrophobicContact CD1-CE3 3.67Å; L38-W95 HydrophobicContact CD1-CG 3.87Å; L38-W95 HydrophobicContact CD1-CH2 4.21Å; L38-W95 HydrophobicContact CD1-CZ2 3.99Å; L38-W95 HydrophobicContact CD1-CZ3 4.06Å; L38-W95 HydrophobicContact CG-CD2 3.98Å; L38-W95 HydrophobicContact CG-CE3 4.35Å; L38-W95 HydrophobicContact CG-CH2 4.04Å; L38-W95 HydrophobicContact CG-CZ2 3.6Å; L38-W95 HydrophobicContact CG-CZ3 4.39Å; I87-W95 HydrophobicContact CB-CH2 4.48Å; I87-W95 HydrophobicContact CG2-CH2 4.31Å; I87-W95 WeakPolarHBondContact O-CH2 3.25Å; K89-W95 HydrophobicContact CB-CH2 3.97Å; K89-W95 HydrophobicContact CB-CZ2 4.08Å; K89-W95 HydrophobicContact CB-CZ3 4.31Å; K89-W95 HydrophobicContact CD-CD2 3.68Å; K89-W95 VanDerWaalsContact CD-CE2 3.48Å; K89-W95 HydrophobicContact CD-CE3 4.24Å; K89-W95 HydrophobicContact CD-CG 3.98Å; K89-W95 HydrophobicContact CD-CH2 4.43Å; K89-W95 HydrophobicContact CD-CZ2 3.91Å; K89-W95 HydrophobicContact CG-CD2 4.37Å; K89-W95 HydrophobicContact CG-CH2 4.1Å; K89-W95 HydrophobicContact CG-CZ2 3.68Å; W95-V97 PolarHBondContact O-N 3.32Å; W95-I98 HydrophobicContact CE3-CB 4.17Å; W95-I98 HydrophobicContact CE3-CG2 4.16Å; W95-I98 HydrophobicContact CZ3-CB 4.42Å; W95-I98 HydrophobicContact CZ3-CG2 3.92Å; W95-I98 PolarHBondContact O-N 3.36Å; W95-K99 WeakPolarHBondContact O-CB 3.48Å; W95-K99 PolarHBondContact O-N 3.11Å
96	A	93.9	Very high	94.9	Very high	82 Å²	82	53.8 Å²	53.8	68%	0.678	30%	0.296	S	S	*	.	H	α-helix	trans	-59.1	-30.5	177	0	0	0	0	0	112.9	E94 P100	E94-A96 PolarHBondContact O-N 3.02Å; E94-A96 VanDerWaalsContact O-N 3.13Å; A96-P100 VanDerWaalsContact O-CD 3.31Å; A96-P100 WeakPolarHBondContact O-CD 3.32Å
97	V	93.3	Very high	94.7	Very high	91 Å²	91	56.3 Å²	56.3	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-87	-45.5	179.1	-176.2	0	0	0	0	110.9	E94 W95 P100	E94-V97 PolarHBondContact O-N 3.09Å; W95-V97 PolarHBondContact O-N 3.32Å; V97-P100 WeakPolarHBondContact O-CD 3.33Å
98	I	95.2	Very high	94.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-72	-36	-175	-63	174.5	0	0	0	112.1	I72 V75 K89 F93 E94 W95 D101 V102	I72-I98 HydrophobicContact CG2-CG2 4.33Å; V75-I98 HydrophobicContact CG2-CG2 4.18Å; K89-I98 HydrophobicContact CB-CD1 3.53Å; K89-I98 HydrophobicContact CD-CD1 4.13Å; K89-I98 HydrophobicContact CG-CD1 4.48Å; F93-I98 HydrophobicContact CB-CD1 3.61Å; F93-I98 HydrophobicContact CB-CG1 4.24Å; F93-I98 HydrophobicContact CG-CD1 4.4Å; E94-I98 PolarHBondContact O-N 3.12Å; W95-I98 HydrophobicContact CE3-CB 4.17Å; W95-I98 HydrophobicContact CE3-CG2 4.16Å; W95-I98 HydrophobicContact CZ3-CB 4.42Å; W95-I98 HydrophobicContact CZ3-CG2 3.92Å; W95-I98 PolarHBondContact O-N 3.36Å; I98-D101 PolarHBondContact O-N 3.42Å; I98-V102 HydrophobicContact CG2-CG2 3.62Å; I98-V102 WeakPolarHBondContact O-CG2 3.4Å; I98-V102 PolarHBondContact O-N 3.14Å
99	K	94	Very high	94.3	Very high	79 Å²	79	60.3 Å²	60.3	34%	0.343	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-50	-169.9	-170.6	179.1	-147.2	169.5	0	112.3	W95 D101 V102 Y103	W95-K99 WeakPolarHBondContact O-CB 3.48Å; W95-K99 PolarHBondContact O-N 3.11Å; K99-D101 VanDerWaalsContact C-N 3.32Å; K99-D101 PolarHBondContact O-N 2.78Å; K99-V102 PolarHBondContact O-N 3.13Å; K99-Y103 HydrophobicContact CD-CE2 4.39Å; K99-Y103 HydrophobicContact CG-CD2 3.81Å; K99-Y103 HydrophobicContact CG-CE2 3.68Å; K99-Y103 VanDerWaalsContact O-CD2 3.25Å; K99-Y103 WeakPolarHBondContact O-CD2 3.27Å; K99-Y103 PolarHBondContact O-N 2.99Å
100	P	94.9	Very high	94	Very high	76 Å²	76	61 Å²	61	49%	0.494	33%	0.33	S	S	.	.	H	α-helix	trans	-53.5	-45.1	175.4	-26.3	35.1	0	0	0	113.8	A96 V97 Y103 A104	A96-P100 VanDerWaalsContact O-CD 3.31Å; A96-P100 WeakPolarHBondContact O-CD 3.32Å; V97-P100 WeakPolarHBondContact O-CD 3.33Å; P100-Y103 WeakPolarHBondContact O-CB 3.36Å; P100-Y103 PolarHBondContact O-N 3.19Å; P100-A104 PolarHBondContact O-N 2.6Å
101	D	95.6	Very high	93.7	Very high	81 Å²	81	62.9 Å²	62.9	43%	0.433	35%	0.347	S	S	.	.	H	α-helix	trans	-68.4	-40	-176.9	-67.9	-19.2	0	0	0	112.5	I72 I98 K99 Y103 A104 T105	I72-D101 HydrophobicContact CD1-CB 4.18Å; I72-D101 HydrophobicContact CG1-CB 4.17Å; I72-D101 HydrophobicContact CG2-CB 3.69Å; I98-D101 PolarHBondContact O-N 3.42Å; K99-D101 VanDerWaalsContact C-N 3.32Å; K99-D101 PolarHBondContact O-N 2.78Å; D101-Y103 VanDerWaalsContact C-N 3.35Å; D101-A104 PolarHBondContact O-N 2.9Å; D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 3.22Å; D101-T105 PolarHBondContact O-OG1 3.05Å
102	V	96	Very high	93.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-47.1	173.7	166.5	0	0	0	0	110.4	Y40 L69 I72 I87 I98 K99 A104 T105 I106	Y40-V102 HydrophobicContact CD1-CG1 3.93Å; Y40-V102 HydrophobicContact CD2-CG1 4.4Å; Y40-V102 HydrophobicContact CE1-CB 4.32Å; Y40-V102 HydrophobicContact CE1-CG1 3.48Å; Y40-V102 VanDerWaalsContact CE1-CG1 3.48Å; Y40-V102 HydrophobicContact CE2-CG1 4.02Å; Y40-V102 HydrophobicContact CG-CG1 4.38Å; L69-V102 HydrophobicContact CD2-CG1 4.34Å; I72-V102 HydrophobicContact CD1-CB 4.26Å; I72-V102 HydrophobicContact CD1-CG2 3.68Å; I87-V102 HydrophobicContact CD1-CB 4.12Å; I87-V102 HydrophobicContact CD1-CG1 3.3Å; I87-V102 HydrophobicContact CD1-CG2 3.62Å; I98-V102 HydrophobicContact CG2-CG2 3.62Å; I98-V102 WeakPolarHBondContact O-CG2 3.4Å; I98-V102 PolarHBondContact O-N 3.14Å; K99-V102 PolarHBondContact O-N 3.13Å; V102-A104 PolarHBondContact O-N 3.32Å; V102-T105 PolarHBondContact O-N 3.27Å; V102-I106 HydrophobicContact CG1-CD1 3.68Å; V102-I106 HydrophobicContact CG1-CG1 4.38Å; V102-I106 VanDerWaalsContact O-CG1 3.31Å; V102-I106 WeakPolarHBondContact O-CG1 3.07Å; V102-I106 PolarHBondContact O-N 3.42Å
103	Y	93.9	Very high	93.2	Very high	61 Å²	61	57.2 Å²	57.2	24%	0.239	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-47.8	179.2	-96.7	-93	0	0	0	111.1	I27 V29 Y40 K99 P100 D101 I106 M107	I27-Y103 HydrophobicContact CB-CD1 3.95Å; I27-Y103 HydrophobicContact CB-CE1 3.58Å; I27-Y103 HydrophobicContact CD1-CD1 3.92Å; I27-Y103 HydrophobicContact CD1-CE1 4.45Å; I27-Y103 HydrophobicContact CG1-CD1 4.5Å; I27-Y103 HydrophobicContact CG2-CD1 4.25Å; I27-Y103 HydrophobicContact CG2-CE1 3.83Å; I27-Y103 PolarHBondContact O-OH 3.19Å; V29-Y103 HydrophobicContact CG2-CE2 3.63Å; V29-Y103 WeakPolarHBondContact CG2-OH 3.37Å; Y40-Y103 HydrophobicContact CD1-CD2 4.48Å; Y40-Y103 HydrophobicContact CD1-CE2 4.23Å; Y40-Y103 AromaticContact CE1-CD2 3.85Å; Y40-Y103 HydrophobicContact CE1-CD2 3.85Å; Y40-Y103 AromaticContact CE1-CE2 3.69Å; Y40-Y103 HydrophobicContact CE1-CE2 3.69Å; K99-Y103 HydrophobicContact CD-CE2 4.39Å; K99-Y103 HydrophobicContact CG-CD2 3.81Å; K99-Y103 HydrophobicContact CG-CE2 3.68Å; K99-Y103 VanDerWaalsContact O-CD2 3.25Å; K99-Y103 WeakPolarHBondContact O-CD2 3.27Å; K99-Y103 PolarHBondContact O-N 2.99Å; P100-Y103 WeakPolarHBondContact O-CB 3.36Å; P100-Y103 PolarHBondContact O-N 3.19Å; D101-Y103 VanDerWaalsContact C-N 3.35Å; Y103-I106 PolarHBondContact O-N 2.92Å; Y103-M107 WeakPolarHBondContact O-CB 3.35Å; Y103-M107 WeakPolarHBondContact O-CE 3.3Å; Y103-M107 VanDerWaalsContact O-CG 3.31Å; Y103-M107 WeakPolarHBondContact O-CG 3.49Å; Y103-M107 PolarHBondContact O-N 3.31Å
104	A	93.7	Very high	92.8	Very high	40 Å²	40	58.5 Å²	58.5	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-58.4	-49.5	177.1	0	0	0	0	0	111.5	P100 D101 V102 I106 M107 D108	P100-A104 PolarHBondContact O-N 2.6Å; D101-A104 PolarHBondContact O-N 2.9Å; V102-A104 PolarHBondContact O-N 3.32Å; A104-I106 PolarHBondContact O-N 3.05Å; A104-M107 PolarHBondContact O-N 3.11Å; A104-D108 WeakPolarHBondContact O-CB 3.33Å; A104-D108 PolarHBondContact O-N 3.49Å
105	T	95	Very high	92.6	Very high	23 Å²	23	56.4 Å²	56.4	14%	0.141	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-44.4	-179.2	-60.2	0	0	0	0	112.5	Q68 L69 D101 V102 F109	Q68-T105 HydrophobicContact CB-CG2 3.6Å; L69-T105 HydrophobicContact CD2-CG2 3.95Å; L69-T105 HydrophobicContact CG-CG2 4.34Å; D101-T105 WeakPolarHBondContact O-CB 3.45Å; D101-T105 PolarHBondContact O-N 3.22Å; D101-T105 PolarHBondContact O-OG1 3.05Å; V102-T105 PolarHBondContact O-N 3.27Å; T105-F109 VanDerWaalsContact O-CB 3.27Å; T105-F109 WeakPolarHBondContact O-CB 3.41Å; T105-F109 PolarHBondContact O-N 3.3Å
106	I	94	Very high	92.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-44.7	177.5	-65.9	172	0	0	0	110.2	I27 Y40 P42 L69 I85 V102 Y103 A104 F109 Y110	I27-I106 HydrophobicContact CD1-CB 3.84Å; I27-I106 HydrophobicContact CD1-CG2 3.55Å; I27-I106 HydrophobicContact CG1-CG2 4.24Å; Y40-I106 HydrophobicContact CD1-CD1 4.16Å; Y40-I106 HydrophobicContact CG-CD1 4.2Å; P42-I106 HydrophobicContact CB-CG2 4.26Å; L69-I106 HydrophobicContact CD2-CG1 4.15Å; I85-I106 HydrophobicContact CD1-CD1 4.16Å; I85-I106 HydrophobicContact CD1-CG1 4.39Å; V102-I106 HydrophobicContact CG1-CD1 3.68Å; V102-I106 HydrophobicContact CG1-CG1 4.38Å; V102-I106 VanDerWaalsContact O-CG1 3.31Å; V102-I106 WeakPolarHBondContact O-CG1 3.07Å; V102-I106 PolarHBondContact O-N 3.42Å; Y103-I106 PolarHBondContact O-N 2.92Å; A104-I106 PolarHBondContact O-N 3.05Å; I106-F109 PolarHBondContact O-N 2.89Å; I106-Y110 HydrophobicContact CG2-CD2 3.68Å; I106-Y110 HydrophobicContact CG2-CE2 3.77Å; I106-Y110 VanDerWaalsContact O-CD2 3.26Å; I106-Y110 WeakPolarHBondContact O-CD2 3.31Å; I106-Y110 PolarHBondContact O-N 3.28Å
107	M	91.9	Very high	91.9	Very high	76 Å²	76	53 Å²	53	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-46.6	178.6	-75.7	-172.6	-73	0	0	112.2	L25 I27 Y103 A104 Y110 S111	L25-M107 HydrophobicContact CD2-CG 4.13Å; I27-M107 HydrophobicContact CD1-CG 3.65Å; Y103-M107 WeakPolarHBondContact O-CB 3.35Å; Y103-M107 WeakPolarHBondContact O-CE 3.3Å; Y103-M107 VanDerWaalsContact O-CG 3.31Å; Y103-M107 WeakPolarHBondContact O-CG 3.49Å; Y103-M107 PolarHBondContact O-N 3.31Å; A104-M107 PolarHBondContact O-N 3.11Å; M107-Y110 PolarHBondContact O-N 3.22Å; M107-S111 VanDerWaalsContact O-CB 3.29Å; M107-S111 WeakPolarHBondContact O-CB 3.32Å; M107-S111 PolarHBondContact O-N 3.08Å; M107-S111 PolarHBondContact O-OG 2.58Å
108	D	92.4	Very high	91.3	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	30%	0.302	S	S	*	.	H	α-helix	trans	-64	-42.8	179.5	-72.5	-13	0	0	0	111.1	A104 Y110 S111 S112	A104-D108 WeakPolarHBondContact O-CB 3.33Å; A104-D108 PolarHBondContact O-N 3.49Å; D108-Y110 PolarHBondContact O-N 3.5Å; D108-S111 PolarHBondContact O-N 3.33Å; D108-S112 WeakPolarHBondContact O-CB 3.46Å; D108-S112 PolarHBondContact O-N 2.98Å
109	F	93	Very high	89.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-51.6	176.5	-177.1	-93.3	0	0	0	111.8	P64 L65 T105 I106 S111 S112 G113 Q114 P115 V116	P64-F109 HydrophobicContact CB-CE2 4.09Å; L65-F109 HydrophobicContact CB-CD1 4.04Å; L65-F109 HydrophobicContact CB-CD2 3.89Å; L65-F109 HydrophobicContact CB-CE1 3.97Å; L65-F109 HydrophobicContact CB-CE2 3.82Å; L65-F109 HydrophobicContact CB-CG 4.01Å; L65-F109 HydrophobicContact CB-CZ 3.86Å; L65-F109 HydrophobicContact CD1-CB 3.74Å; L65-F109 HydrophobicContact CD1-CD1 3.87Å; L65-F109 HydrophobicContact CD1-CD2 4.13Å; L65-F109 HydrophobicContact CD1-CG 3.6Å; L65-F109 HydrophobicContact CD2-CD1 4.1Å; L65-F109 HydrophobicContact CD2-CE1 4.29Å; L65-F109 HydrophobicContact CG-CD1 4.22Å; L65-F109 HydrophobicContact CG-CG 4.26Å; T105-F109 VanDerWaalsContact O-CB 3.27Å; T105-F109 WeakPolarHBondContact O-CB 3.41Å; T105-F109 PolarHBondContact O-N 3.3Å; I106-F109 PolarHBondContact O-N 2.89Å; F109-S111 VanDerWaalsContact C-N 3.26Å; F109-S111 PolarHBondContact O-N 3.4Å; F109-S112 PolarHBondContact O-N 3.35Å; F109-S112 PolarHBondContact O-OG 3.43Å; F109-G113 PolarHBondContact O-N 2.86Å; F109-Q114 HydrophobicContact CE2-CB 3.74Å; F109-Q114 HydrophobicContact CZ-CB 3.96Å; F109-Q114 VanDerWaalsContact CZ-O 3.3Å; F109-Q114 WeakPolarHBondContact CZ-O 3.08Å; F109-P115 WeakPolarHBondContact CZ-O 3.43Å; F109-V116 HydrophobicContact CE1-CB 4.37Å; F109-V116 HydrophobicContact CE1-CG2 3.7Å; F109-V116 HydrophobicContact CZ-CG2 4.31Å
110	Y	90.5	Very high	87.9	Confident	29 Å²	29	62.2 Å²	62.2	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-69	-23.7	179	-82.4	-71.4	0	0	0	113.5	L25 P42 K44 V46 I106 M107 D108	L25-Y110 HydrophobicContact CD2-CD2 4.07Å; L25-Y110 HydrophobicContact CD2-CG 4.18Å; P42-Y110 HydrophobicContact CB-CD2 4.07Å; P42-Y110 HydrophobicContact CB-CE2 3.49Å; P42-Y110 VanDerWaalsContact CB-CE2 3.49Å; P42-Y110 HydrophobicContact CG-CE2 3.71Å; P42-Y110 WeakPolarHBondContact CG-OH 3.19Å; K44-Y110 HydrophobicContact CB-CE1 4.05Å; K44-Y110 HydrophobicContact CD-CD1 3.85Å; K44-Y110 HydrophobicContact CD-CE1 4.12Å; V46-Y110 WeakPolarHBondContact CG2-OH 3.48Å; I106-Y110 HydrophobicContact CG2-CD2 3.68Å; I106-Y110 HydrophobicContact CG2-CE2 3.77Å; I106-Y110 VanDerWaalsContact O-CD2 3.26Å; I106-Y110 WeakPolarHBondContact O-CD2 3.31Å; I106-Y110 PolarHBondContact O-N 3.28Å; M107-Y110 PolarHBondContact O-N 3.22Å; D108-Y110 PolarHBondContact O-N 3.5Å
111	S	89.4	Confident	85.9	Confident	94 Å²	94	64.7 Å²	64.7	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-76.9	-32.3	173.8	-59.3	0	0	0	0	112	M107 D108 F109 G113	M107-S111 VanDerWaalsContact O-CB 3.29Å; M107-S111 WeakPolarHBondContact O-CB 3.32Å; M107-S111 PolarHBondContact O-N 3.08Å; M107-S111 PolarHBondContact O-OG 2.58Å; D108-S111 PolarHBondContact O-N 3.33Å; F109-S111 VanDerWaalsContact C-N 3.26Å; F109-S111 PolarHBondContact O-N 3.4Å; S111-G113 VanDerWaalsContact C-N 3.28Å; S111-G113 PolarHBondContact O-N 3.14Å
112	S	90.1	Very high	83.7	Confident	62 Å²	62	63 Å²	63	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-70.5	-22.2	176.4	77.8	0	0	0	0	113.7	D108 F109 Q114	D108-S112 WeakPolarHBondContact O-CB 3.46Å; D108-S112 PolarHBondContact O-N 2.98Å; F109-S112 PolarHBondContact O-N 3.35Å; F109-S112 PolarHBondContact O-OG 3.43Å; S112-Q114 PolarHBondContact O-N 2.99Å; S112-Q114 WeakPolarHBondContact OG-CG 3.27Å; S112-Q114 PolarHBondContact OG-N 3.2Å
113	G	85.9	Confident	81.3	Confident	66 Å²	66	67.9 Å²	67.9	68%	0.68	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	14.2	-178.5	0	0	0	0	0	114.8	F109 S111	F109-G113 PolarHBondContact O-N 2.86Å; S111-G113 VanDerWaalsContact C-N 3.28Å; S111-G113 PolarHBondContact O-N 3.14Å
114	Q	87.8	Confident	78.9	Confident	90 Å²	90	68.4 Å²	68.4	42%	0.421	39%	0.389	S	S	.	.			trans	-65.7	150.6	176.7	-70.7	177.8	23.4	0	0	112	F109 S112 V116	F109-Q114 HydrophobicContact CE2-CB 3.74Å; F109-Q114 HydrophobicContact CZ-CB 3.96Å; F109-Q114 VanDerWaalsContact CZ-O 3.3Å; F109-Q114 WeakPolarHBondContact CZ-O 3.08Å; S112-Q114 PolarHBondContact O-N 2.99Å; S112-Q114 WeakPolarHBondContact OG-CG 3.27Å; S112-Q114 PolarHBondContact OG-N 3.2Å; Q114-V116 PolarHBondContact O-N 3.07Å
115	P	89.5	Confident	76.9	Confident	89 Å²	89	74.2 Å²	74.2	58%	0.578	41%	0.413	S	S	*	.			trans	-67.6	132.6	174.7	28.4	-34.3	0	0	0	110.9	F109 V117	F109-P115 WeakPolarHBondContact CZ-O 3.43Å; P115-V117 PolarHBondContact O-N 3.42Å
116	V	88.8	Confident	74.7	Confident	20 Å²	20	76.9 Å²	76.9	12%	0.121	43%	0.433	C	S	.	.	S	Bend	trans	-60.2	-36.5	-180	177.5	0	0	0	0	111.2	V46 S63 L65 F80 F109 Q114	V46-V116 HydrophobicContact CG1-CG1 3.88Å; S63-V116 WeakPolarHBondContact CA-O 3.3Å; S63-V116 WeakPolarHBondContact CB-O 3.43Å; S63-V116 PolarHBondContact OG-O 2.79Å; L65-V116 HydrophobicContact CD2-CG1 4.16Å; F80-V116 HydrophobicContact CD2-CG1 4.18Å; F80-V116 HydrophobicContact CE2-CG1 3.93Å; F109-V116 HydrophobicContact CE1-CB 4.37Å; F109-V116 HydrophobicContact CE1-CG2 3.7Å; F109-V116 HydrophobicContact CZ-CG2 4.31Å; Q114-V116 PolarHBondContact O-N 3.07Å
117	V	84.6	Confident	72.5	Confident	27 Å²	27	82.3 Å²	82.3	16%	0.164	46%	0.457	C	S	.	.	S	Bend	trans	-121.9	129.2	-179.9	168.1	0	0	0	0	108.8	L47 S62 P115 E119 A122	L47-V117 HydrophobicContact CD2-CG2 3.45Å; L47-V117 VanDerWaalsContact CD2-CG2 3.45Å; S62-V117 CarbonylContact O-C 3.52Å; S62-V117 WeakPolarHBondContact O-CA 3.29Å; P115-V117 PolarHBondContact O-N 3.42Å; V117-E119 PolarHBondContact O-N 3.33Å; V117-A122 HydrophobicContact CG1-CB 4.45Å
118	S	80.9	Confident	70.5	Confident	34 Å²	34	83.7 Å²	83.7	24%	0.238	46%	0.461	C	S	.	.			trans	-74.2	118.4	164.3	47.9	0	0	0	0	108.2	T61 S62 E120	T61-S118 PolarHBondContact O-OG 3.16Å; S62-S118 VanDerWaalsContact C-OG 3.28Å; S62-S118 WeakPolarHBondContact CA-OG 3.43Å; S62-S118 PolarHBondContact O-N 2.99Å; S62-S118 PolarHBondContact O-OG 2.97Å; S62-S118 VanDerWaalsContact O-OG 3.11Å; S118-E120 PolarHBondContact O-N 3.09Å
119	E	62.9	Low	68.9	Low	157 Å²	157	81.1 Å²	81.1	73%	0.734	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.4	-172.2	-65.6	-177.8	169	0	0	113.9	V117 K121	V117-E119 PolarHBondContact O-N 3.33Å; E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.35Å; E119-K121 VanDerWaalsContact O-N 3.12Å
120	E	55.6	Low	67.8	Low	174 Å²	174	86.1 Å²	86.1	81%	0.813	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.1	-171.1	-60	-174.8	-180	0	0	115.4	S118	S118-E120 PolarHBondContact O-N 3.09Å
121	K	51.7	Low	67.1	Low	128 Å²	128	91.3 Å²	91.3	56%	0.557	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-10.2	-178.1	-71.2	-174	178.2	-177.1	0	115.9	E119	E119-K121 VanDerWaalsContact C-N 3.26Å; E119-K121 PolarHBondContact O-N 3.35Å; E119-K121 VanDerWaalsContact O-N 3.12Å
122	A	50.2	Low	66.4	Low	44 Å²	44	90 Å²	90	36%	0.364	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-26	-173.4	0	0	0	0	0	114	V117	V117-A122 HydrophobicContact CG1-CB 4.45Å
123	Q	45.4	Very low	65.7	Low	103 Å²	103	92.1 Å²	92.1	48%	0.481	50%	0.497	S	S	.	.	S	Bend	trans	-91.5	-8.9	-179.6	-62.4	-166.6	7.1	0	0	113.5	K127	Q123-K127 HydrophobicContact CB-CD 4.48Å; Q123-K127 WeakPolarHBondContact O-CB 3.4Å; Q123-K127 PolarHBondContact O-N 2.98Å
124	D	44.2	Very low	65.4	Low	73 Å²	73	94.6 Å²	94.6	39%	0.39	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.1	-166.5	-143.6	25.2	0	0	0	113.8	K128	D124-K128 WeakPolarHBondContact O-CB 3.39Å; D124-K128 IonicContact OD1-NZ 3.72Å; D124-K128 IonicContact OD2-NZ 2.71Å; D124-K128 PolarHBondContact OD2-NZ 3.05Å
125	L	51.2	Low	65	Low	161 Å²	161	95.2 Å²	95.2	84%	0.843	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-25.1	175	-72.1	174.6	0	0	0	113.7
126	S	48.8	Very low	64.6	Low	80 Å²	80	96.4 Å²	96.4	56%	0.559	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-30.2	177.3	60.2	0	0	0	0	113.8	S129	S126-S129 PolarHBondContact O-OG 3.42Å; S126-S129 VanDerWaalsContact O-OG 3.09Å
127	K	48.6	Very low	64.2	Low	113 Å²	113	100.6 Å²	100.6	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-85.8	-29.9	178.1	-68.3	-177.9	179.5	173.6	0	113.1	Q123 S129 D130 E131	Q123-K127 HydrophobicContact CB-CD 4.48Å; Q123-K127 WeakPolarHBondContact O-CB 3.4Å; Q123-K127 PolarHBondContact O-N 2.98Å; K127-S129 PolarHBondContact O-N 3.5Å; K127-D130 PolarHBondContact O-N 3.35Å; K127-E131 PolarHBondContact O-N 3.4Å
128	K	49.3	Very low	64.2	Low	106 Å²	106	106.3 Å²	106.3	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-72.1	-30.3	-177.1	-157.1	174.6	-150.5	146.6	0	112.5	D124 D130 T132	D124-K128 WeakPolarHBondContact O-CB 3.39Å; D124-K128 IonicContact OD1-NZ 3.72Å; D124-K128 IonicContact OD2-NZ 2.71Å; D124-K128 PolarHBondContact OD2-NZ 3.05Å; K128-D130 VanDerWaalsContact C-N 3.33Å; K128-T132 HydrophobicContact CG-CG2 4.3Å; K128-T132 VanDerWaalsContact O-CB 3.29Å; K128-T132 WeakPolarHBondContact O-CB 3.48Å; K128-T132 VanDerWaalsContact O-CG2 3.24Å; K128-T132 WeakPolarHBondContact O-CG2 3.21Å; K128-T132 PolarHBondContact O-N 2.67Å; K128-T132 PolarHBondContact O-OG1 3.21Å
129	S	58.3	Low	64.3	Low	51 Å²	51	109.5 Å²	109.5	36%	0.357	55%	0.552	S	S	.	*	H	α-helix	trans	-61.5	-45.3	171.3	53.1	0	0	0	0	110.6	S126 K127 T132 L133	S126-S129 PolarHBondContact O-OG 3.42Å; S126-S129 VanDerWaalsContact O-OG 3.09Å; K127-S129 PolarHBondContact O-N 3.5Å; S129-T132 PolarHBondContact O-OG1 2.71Å; S129-T132 VanDerWaalsContact O-OG1 3.11Å; S129-L133 VanDerWaalsContact O-CB 3.25Å; S129-L133 WeakPolarHBondContact O-CB 3.44Å; S129-L133 WeakPolarHBondContact O-CG 3.45Å; S129-L133 PolarHBondContact O-N 3.22Å
130	D	71.1	Confident	65.1	Low	107 Å²	107	107.3 Å²	107.3	57%	0.572	54%	0.54	S	S	*	.	H	α-helix	trans	-71.6	-41.8	-175.4	-64.1	-9.4	0	0	0	111.2	K127 K128 L133 N134	K127-D130 PolarHBondContact O-N 3.35Å; K128-D130 VanDerWaalsContact C-N 3.33Å; D130-L133 PolarHBondContact O-N 2.92Å; D130-N134 WeakPolarHBondContact O-CB 3.41Å; D130-N134 PolarHBondContact O-N 2.89Å
131	E	74	Confident	66.3	Low	138 Å²	138	102 Å²	102	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-67.7	-41.2	176	-72.1	-163.2	170.4	0	0	112.9	K127 N134 L135	K127-E131 PolarHBondContact O-N 3.4Å; E131-N134 PolarHBondContact O-N 2.99Å; E131-L135 WeakPolarHBondContact O-CB 3.37Å; E131-L135 WeakPolarHBondContact O-CG 3.31Å; E131-L135 PolarHBondContact O-N 2.81Å
132	T	75.9	Confident	67.7	Low	68 Å²	68	99 Å²	99	42%	0.417	51%	0.51	S	S	.	.	H	α-helix	trans	-66.5	-40	176.3	52.4	0	0	0	0	111.4	K128 S129 L135 L136	K128-T132 HydrophobicContact CG-CG2 4.3Å; K128-T132 VanDerWaalsContact O-CB 3.29Å; K128-T132 WeakPolarHBondContact O-CB 3.48Å; K128-T132 VanDerWaalsContact O-CG2 3.24Å; K128-T132 WeakPolarHBondContact O-CG2 3.21Å; K128-T132 PolarHBondContact O-N 2.67Å; K128-T132 PolarHBondContact O-OG1 3.21Å; S129-T132 PolarHBondContact O-OG1 2.71Å; S129-T132 VanDerWaalsContact O-OG1 3.11Å; T132-L135 PolarHBondContact O-N 2.86Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.23Å; T132-L136 WeakPolarHBondContact O-CG 3.36Å; T132-L136 PolarHBondContact O-N 2.8Å
133	L	76	Confident	68.9	Low	106 Å²	106	99 Å²	99	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-64.5	-40.8	173.2	-71.5	179.6	0	0	0	111.7	S129 D130 L136 L137	S129-L133 VanDerWaalsContact O-CB 3.25Å; S129-L133 WeakPolarHBondContact O-CB 3.44Å; S129-L133 WeakPolarHBondContact O-CG 3.45Å; S129-L133 PolarHBondContact O-N 3.22Å; D130-L133 PolarHBondContact O-N 2.92Å; L133-L136 PolarHBondContact O-N 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 PolarHBondContact O-N 2.83Å
134	N	79.2	Confident	70.1	Confident	117 Å²	117	96.1 Å²	96.1	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-67.3	-40	176.9	-120.5	6.6	0	0	0	112.3	D130 E131 L137 Y138	D130-N134 WeakPolarHBondContact O-CB 3.41Å; D130-N134 PolarHBondContact O-N 2.89Å; E131-N134 PolarHBondContact O-N 2.99Å; N134-L137 PolarHBondContact O-N 2.83Å; N134-Y138 VanDerWaalsContact O-CB 3.31Å; N134-Y138 WeakPolarHBondContact O-CB 3.43Å; N134-Y138 PolarHBondContact O-N 3.36Å
135	L	79.4	Confident	71.5	Confident	103 Å²	103	95.6 Å²	95.6	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-42.4	174	-75.4	173.8	0	0	0	111.1	E131 T132 Y138 F139	E131-L135 WeakPolarHBondContact O-CB 3.37Å; E131-L135 WeakPolarHBondContact O-CG 3.31Å; E131-L135 PolarHBondContact O-N 2.81Å; T132-L135 PolarHBondContact O-N 2.86Å; L135-Y138 PolarHBondContact O-N 2.85Å; L135-F139 WeakPolarHBondContact O-CB 3.16Å; L135-F139 WeakPolarHBondContact O-CD2 3.22Å; L135-F139 PolarHBondContact O-N 3.42Å
136	L	81.4	Confident	72.4	Confident	114 Å²	114	92.2 Å²	92.2	60%	0.597	48%	0.48	S	S	*	.	H	α-helix	trans	-63.6	-41	174.8	-73.6	173.2	0	0	0	111.7	T132 L133 F139 F140	T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.23Å; T132-L136 WeakPolarHBondContact O-CG 3.36Å; T132-L136 PolarHBondContact O-N 2.8Å; L133-L136 PolarHBondContact O-N 3.24Å; L136-F139 PolarHBondContact O-N 3.16Å; L136-F140 WeakPolarHBondContact O-CB 3.29Å; L136-F140 PolarHBondContact O-N 3.42Å
137	L	80.2	Confident	73.1	Confident	109 Å²	109	91.1 Å²	91.1	57%	0.571	47%	0.466	S	S	*	.	H	α-helix	trans	-64.3	-41.9	174.5	-125.1	118.9	0	0	0	111.2	L133 N134 F140 T141	L133-L137 WeakPolarHBondContact O-CB 3.41Å; L133-L137 PolarHBondContact O-N 2.83Å; N134-L137 PolarHBondContact O-N 2.83Å; L137-F140 PolarHBondContact O-N 2.85Å; L137-T141 WeakPolarHBondContact O-CB 3.42Å; L137-T141 VanDerWaalsContact O-CG2 3.24Å; L137-T141 WeakPolarHBondContact O-CG2 3.36Å; L137-T141 PolarHBondContact O-N 3.44Å; L137-T141 PolarHBondContact O-OG1 2.77Å
138	Y	84.6	Confident	73.8	Confident	146 Å²	146	91.2 Å²	91.2	57%	0.573	47%	0.471	S	S	*	.	H	α-helix	trans	-63.3	-44	176.3	-166.2	-104.1	0	0	0	111.2	N134 L135 T141 L142	N134-Y138 VanDerWaalsContact O-CB 3.31Å; N134-Y138 WeakPolarHBondContact O-CB 3.43Å; N134-Y138 PolarHBondContact O-N 3.36Å; L135-Y138 PolarHBondContact O-N 2.85Å; Y138-T141 WeakPolarHBondContact CA-OG1 3.31Å; Y138-T141 PolarHBondContact O-N 2.94Å; Y138-T141 PolarHBondContact O-OG1 3.3Å; Y138-L142 HydrophobicContact CD1-CD1 3.6Å; Y138-L142 HydrophobicContact CD2-CD1 3.88Å; Y138-L142 HydrophobicContact CE1-CD1 3.27Å; Y138-L142 HydrophobicContact CE1-CD2 4.11Å; Y138-L142 HydrophobicContact CE1-CG 4.31Å; Y138-L142 HydrophobicContact CE2-CD1 3.56Å; Y138-L142 HydrophobicContact CG-CD1 3.89Å; Y138-L142 WeakPolarHBondContact O-CB 3.28Å; Y138-L142 VanDerWaalsContact O-CD1 3.3Å; Y138-L142 WeakPolarHBondContact O-CD1 3.38Å; Y138-L142 PolarHBondContact O-N 2.97Å
139	F	81.3	Confident	74.4	Confident	101 Å²	101	90.9 Å²	90.9	44%	0.443	47%	0.474	S	S	.	.	H	α-helix	trans	-62.3	-43.7	173.6	-96.3	-81.8	0	0	0	112.1	L135 L136 T143 F176	L135-F139 WeakPolarHBondContact O-CB 3.16Å; L135-F139 WeakPolarHBondContact O-CD2 3.22Å; L135-F139 PolarHBondContact O-N 3.42Å; L136-F139 PolarHBondContact O-N 3.16Å; F139-T143 WeakPolarHBondContact O-CB 3.39Å; F139-T143 PolarHBondContact O-N 3.45Å; F139-T143 PolarHBondContact O-OG1 3.34Å; F139-F176 HydrophobicContact CE1-CE2 4.4Å; F139-F176 HydrophobicContact CE1-CZ 4.38Å; F139-F176 HydrophobicContact CE2-CZ 4.09Å; F139-F176 HydrophobicContact CZ-CE2 4.32Å; F139-F176 AromaticContact CZ-CZ 3.86Å; F139-F176 HydrophobicContact CZ-CZ 3.86Å
140	F	80.2	Confident	74.4	Confident	112 Å²	112	92.3 Å²	92.3	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-65.6	-41.3	179.4	-166	-93.1	0	0	0	112.1	L136 L137 S144 W185	L136-F140 WeakPolarHBondContact O-CB 3.29Å; L136-F140 PolarHBondContact O-N 3.42Å; L137-F140 PolarHBondContact O-N 2.85Å; F140-S144 WeakPolarHBondContact O-CB 3.44Å; F140-S144 PolarHBondContact O-N 3.48Å; F140-S144 PolarHBondContact O-OG 3.34Å; F140-W185 AromaticContact CD2-CH2 3.93Å; F140-W185 HydrophobicContact CD2-CH2 3.93Å; F140-W185 HydrophobicContact CD2-CZ3 4.07Å; F140-W185 HydrophobicContact CE2-CE3 4.44Å; F140-W185 AromaticContact CE2-CH2 3.66Å; F140-W185 HydrophobicContact CE2-CH2 3.66Å; F140-W185 AromaticContact CE2-CZ3 3.33Å; F140-W185 HydrophobicContact CE2-CZ3 3.33Å; F140-W185 HydrophobicContact CZ-CH2 4.41Å; F140-W185 AromaticContact CZ-CZ3 3.72Å; F140-W185 HydrophobicContact CZ-CZ3 3.72Å
141	T	80.7	Confident	74	Confident	63 Å²	63	90.2 Å²	90.2	39%	0.387	47%	0.469	S	S	.	.	H	α-helix	trans	-71.5	-39.7	177.6	53.6	0	0	0	0	112.5	L137 Y138 S145	L137-T141 WeakPolarHBondContact O-CB 3.42Å; L137-T141 VanDerWaalsContact O-CG2 3.24Å; L137-T141 WeakPolarHBondContact O-CG2 3.36Å; L137-T141 PolarHBondContact O-N 3.44Å; L137-T141 PolarHBondContact O-OG1 2.77Å; Y138-T141 WeakPolarHBondContact CA-OG1 3.31Å; Y138-T141 PolarHBondContact O-N 2.94Å; Y138-T141 PolarHBondContact O-OG1 3.3Å; T141-S145 WeakPolarHBondContact O-CB 3.25Å; T141-S145 PolarHBondContact O-N 2.85Å; T141-S145 PolarHBondContact O-OG 3.18Å
142	L	81.3	Confident	73.1	Confident	65 Å²	65	89.2 Å²	89.2	34%	0.34	47%	0.467	S	S	.	.	H	α-helix	trans	-66.2	-44.3	173.6	-101.1	84.9	0	0	0	111.8	Y138 S144 S145 I146	Y138-L142 HydrophobicContact CD1-CD1 3.6Å; Y138-L142 HydrophobicContact CD2-CD1 3.88Å; Y138-L142 HydrophobicContact CE1-CD1 3.27Å; Y138-L142 HydrophobicContact CE1-CD2 4.11Å; Y138-L142 HydrophobicContact CE1-CG 4.31Å; Y138-L142 HydrophobicContact CE2-CD1 3.56Å; Y138-L142 HydrophobicContact CG-CD1 3.89Å; Y138-L142 WeakPolarHBondContact O-CB 3.28Å; Y138-L142 VanDerWaalsContact O-CD1 3.3Å; Y138-L142 WeakPolarHBondContact O-CD1 3.38Å; Y138-L142 PolarHBondContact O-N 2.97Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 3.43Å; L142-S145 PolarHBondContact O-N 3.38Å; L142-S145 VanDerWaalsContact O-N 3.11Å; L142-I146 WeakPolarHBondContact O-CB 3.31Å; L142-I146 VanDerWaalsContact O-CG1 3.25Å; L142-I146 WeakPolarHBondContact O-CG1 3.13Å; L142-I146 PolarHBondContact O-N 2.98Å
143	T	76.1	Confident	72.2	Confident	42 Å²	42	92.6 Å²	92.6	26%	0.258	48%	0.478	S	S	.	.	H	α-helix	trans	-62.9	-40.4	-179.6	-49.7	0	0	0	0	110.3	F139 Q147 W185	F139-T143 WeakPolarHBondContact O-CB 3.39Å; F139-T143 PolarHBondContact O-N 3.45Å; F139-T143 PolarHBondContact O-OG1 3.34Å; T143-Q147 WeakPolarHBondContact O-CB 3.5Å; T143-Q147 PolarHBondContact O-N 2.86Å; T143-W185 HydrophobicContact CG2-CZ2 4.38Å
144	S	70.5	Confident	71	Confident	44 Å²	44	91.6 Å²	91.6	31%	0.308	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-40.6	173.4	-58.3	0	0	0	0	112.2	F140 L142 Q147 L148	F140-S144 WeakPolarHBondContact O-CB 3.44Å; F140-S144 PolarHBondContact O-N 3.48Å; F140-S144 PolarHBondContact O-OG 3.34Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 3.43Å; S144-Q147 PolarHBondContact O-N 2.81Å; S144-L148 WeakPolarHBondContact O-CG 3.24Å; S144-L148 PolarHBondContact O-N 2.86Å
145	S	73.6	Confident	69.5	Low	62 Å²	62	90.3 Å²	90.3	43%	0.434	48%	0.476	S	S	.	.	H	α-helix	trans	-69.5	-39.4	179.4	-58.9	0	0	0	0	112.8	T141 L142 L148 L149	T141-S145 WeakPolarHBondContact O-CB 3.25Å; T141-S145 PolarHBondContact O-N 2.85Å; T141-S145 PolarHBondContact O-OG 3.18Å; L142-S145 PolarHBondContact O-N 3.38Å; L142-S145 VanDerWaalsContact O-N 3.11Å; S145-L148 PolarHBondContact O-N 2.86Å; S145-L149 PolarHBondContact O-N 2.84Å
146	I	68.9	Low	68.2	Low	90 Å²	90	92.3 Å²	92.3	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-66	-41.5	176	-66.6	164.4	0	0	0	110.1	L142 L148 L149 N150	L142-I146 WeakPolarHBondContact O-CB 3.31Å; L142-I146 VanDerWaalsContact O-CG1 3.25Å; L142-I146 WeakPolarHBondContact O-CG1 3.13Å; L142-I146 PolarHBondContact O-N 2.98Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 2.95Å; I146-L149 PolarHBondContact O-N 2.9Å; I146-N150 PolarHBondContact O-N 2.87Å
147	Q	65.2	Low	66.5	Low	57 Å²	57	95.5 Å²	95.5	27%	0.266	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-40.5	176.2	-154.7	84.3	-51.6	0	0	111.3	T143 S144 N150 V151	T143-Q147 WeakPolarHBondContact O-CB 3.5Å; T143-Q147 PolarHBondContact O-N 2.86Å; S144-Q147 PolarHBondContact O-N 2.81Å; Q147-N150 PolarHBondContact O-N 3.46Å; Q147-V151 VanDerWaalsContact O-CG2 3.27Å; Q147-V151 WeakPolarHBondContact O-CG2 3.3Å; Q147-V151 PolarHBondContact O-N 2.94Å; Q147-V151 VanDerWaalsContact O-N 3.09Å
148	L	62.6	Low	64.7	Low	114 Å²	114	100.8 Å²	100.8	60%	0.597	51%	0.509	S	S	*	.	H	α-helix	trans	-66.4	-39.8	175.9	-76.4	167.7	0	0	0	112.6	S144 S145 I146 V151 L152	S144-L148 WeakPolarHBondContact O-CG 3.24Å; S144-L148 PolarHBondContact O-N 2.86Å; S145-L148 PolarHBondContact O-N 2.86Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 2.95Å; L148-V151 PolarHBondContact O-N 2.73Å; L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 2.78Å
149	L	61.2	Low	62.6	Low	99 Å²	99	99.4 Å²	99.4	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-43.7	175.3	-81.4	167.4	0	0	0	111.8	S145 I146 V151 L152 E153	S145-L149 PolarHBondContact O-N 2.84Å; I146-L149 PolarHBondContact O-N 2.9Å; L149-V151 VanDerWaalsContact C-N 3.27Å; L149-V151 PolarHBondContact O-N 2.82Å; L149-L152 PolarHBondContact O-N 3.37Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 3Å
150	N	59.6	Low	60.8	Low	81 Å²	81	98.2 Å²	98.2	43%	0.433	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-32.4	176.3	-71.8	-18.1	0	0	0	112.3	I146 Q147 T154	I146-N150 PolarHBondContact O-N 2.87Å; Q147-N150 PolarHBondContact O-N 3.46Å; N150-T154 WeakPolarHBondContact O-CB 3.27Å; N150-T154 VanDerWaalsContact O-CG2 3.27Å; N150-T154 WeakPolarHBondContact O-CG2 3.31Å; N150-T154 PolarHBondContact O-N 3Å; N150-T154 VanDerWaalsContact O-N 3.12Å; N150-T154 PolarHBondContact O-OG1 3.27Å
151	V	61.8	Low	58.7	Low	63 Å²	63	99.2 Å²	99.2	38%	0.382	55%	0.552	S	S	.	*	H	α-helix	trans	-71	-34.6	173.8	172.1	0	0	0	0	111.7	Q147 L148 L149 T154 C155	Q147-V151 VanDerWaalsContact O-CG2 3.27Å; Q147-V151 WeakPolarHBondContact O-CG2 3.3Å; Q147-V151 PolarHBondContact O-N 2.94Å; Q147-V151 VanDerWaalsContact O-N 3.09Å; L148-V151 PolarHBondContact O-N 2.73Å; L149-V151 VanDerWaalsContact C-N 3.27Å; L149-V151 PolarHBondContact O-N 2.82Å; V151-T154 WeakPolarHBondContact CA-OG1 3.31Å; V151-T154 PolarHBondContact O-OG1 3.02Å; V151-T154 VanDerWaalsContact O-OG1 3.05Å; V151-C155 PolarHBondContact O-N 3.29Å; V151-C155 PolarHBondContact O-SG 3.1Å
152	L	54.8	Low	56.6	Low	117 Å²	117	102.4 Å²	102.4	61%	0.613	57%	0.571	S	S	*	*	H	α-helix	trans	-76.4	-39.5	176.8	-70.7	175.1	0	0	0	112.5	L148 L149 T154 C155 N156	L148-L152 WeakPolarHBondContact O-CG 3.48Å; L148-L152 PolarHBondContact O-N 2.78Å; L149-L152 PolarHBondContact O-N 3.37Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L152-T154 VanDerWaalsContact C-N 3.32Å; L152-T154 PolarHBondContact O-N 3.35Å; L152-C155 PolarHBondContact O-N 3.22Å; L152-C155 VanDerWaalsContact O-N 3.16Å; L152-N156 PolarHBondContact O-N 2.64Å; L152-N156 VanDerWaalsContact O-N 3.16Å
153	E	57.2	Low	54.5	Low	140 Å²	140	109.8 Å²	109.8	65%	0.654	60%	0.595	S	S	*	*	H	α-helix	trans	-66.3	-35.8	176.3	-73	-174.7	176.6	0	0	111.7	L149 C155 N156	L149-E153 WeakPolarHBondContact O-CG 3.42Å; L149-E153 PolarHBondContact O-N 3Å; E153-C155 VanDerWaalsContact C-N 3.33Å; E153-N156 PolarHBondContact O-N 3.27Å
154	T	51.9	Low	53.1	Low	84 Å²	84	113.2 Å²	113.2	52%	0.515	61%	0.61	S	S	.	*	H	α-helix	trans	-71	-27.4	172.4	50.2	0	0	0	0	113	N150 V151 L152	N150-T154 WeakPolarHBondContact O-CB 3.27Å; N150-T154 VanDerWaalsContact O-CG2 3.27Å; N150-T154 WeakPolarHBondContact O-CG2 3.31Å; N150-T154 PolarHBondContact O-N 3Å; N150-T154 VanDerWaalsContact O-N 3.12Å; N150-T154 PolarHBondContact O-OG1 3.27Å; V151-T154 WeakPolarHBondContact CA-OG1 3.31Å; V151-T154 PolarHBondContact O-OG1 3.02Å; V151-T154 VanDerWaalsContact O-OG1 3.05Å; L152-T154 VanDerWaalsContact C-N 3.32Å; L152-T154 PolarHBondContact O-N 3.35Å
155	C	46.9	Very low	52	Low	91 Å²	91	122.1 Å²	122.1	62%	0.615	64%	0.639	S	S	*	*	H	α-helix	trans	-75.4	-20.6	173.8	-74.4	0	0	0	0	113.8	V151 L152 E153 F157	V151-C155 PolarHBondContact O-N 3.29Å; V151-C155 PolarHBondContact O-SG 3.1Å; L152-C155 PolarHBondContact O-N 3.22Å; L152-C155 VanDerWaalsContact O-N 3.16Å; E153-C155 VanDerWaalsContact C-N 3.33Å; C155-F157 VanDerWaalsContact C-N 3.27Å; C155-F157 PolarHBondContact O-N 2.92Å
156	N	51.3	Low	51	Low	144 Å²	144	124 Å²	124	77%	0.77	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	2.7	-177	-146.9	5.2	0	0	0	113.9	L152 E153 R158	L152-N156 PolarHBondContact O-N 2.64Å; L152-N156 VanDerWaalsContact O-N 3.16Å; E153-N156 PolarHBondContact O-N 3.27Å; N156-R158 PolarHBondContact O-N 3.1Å
157	F	46.1	Very low	50.4	Low	181 Å²	181	124.9 Å²	124.9	79%	0.794	66%	0.662	S	S	*	*	S	Bend	trans	-88.2	85.6	171.3	-158.5	-98.6	0	0	0	110.7	C155	C155-F157 VanDerWaalsContact C-N 3.27Å; C155-F157 PolarHBondContact O-N 2.92Å
158	R	42.4	Very low	50	Low	220 Å²	220	126.7 Å²	126.7	83%	0.83	67%	0.672	S	S	*	*			trans	32.4	107.4	142.3	-153.9	168.2	-170.3	-169.4	1.3	115.8	N156	N156-R158 PolarHBondContact O-N 3.1Å
159	S	41.4	Very low	49.9	Very low	118 Å²	118	124.9 Å²	124.9	83%	0.825	67%	0.667	S	S	*	*	S	Bend	trans	83.8	133.7	159	80	0	0	0	0	117.1
160	G	42.4	Very low	49.8	Very low	76 Å²	76	121.7 Å²	121.7	78%	0.784	66%	0.655	S	S	*	*			trans	88.4	96.5	152.5	0	0	0	0	0	114.7
161	V	36.7	Very low	49.8	Very low	133 Å²	133	121 Å²	121	81%	0.806	65%	0.654	S	S	*	*			trans	-24.4	144.8	156.3	-177.5	0	0	0	0	114.3
162	T	36.8	Very low	49.4	Very low	129 Å²	129	123.2 Å²	123.2	79%	0.791	66%	0.656	S	S	*	*			trans	84.6	124.5	159.5	23	0	0	0	0	119.7
163	R	37.6	Very low	49.4	Very low	221 Å²	221	123.2 Å²	123.2	83%	0.834	65%	0.652	S	S	*	*			trans	92.6	72.7	148.8	-157.5	-176.1	-86.7	177.6	-7.3	116.4
164	I	46.8	Very low	49.1	Very low	114 Å²	114	119.9 Å²	119.9	59%	0.585	64%	0.638	S	S	*	*			trans	-123.2	5.5	165.4	-45	-178.4	0	0	0	113.2	S166	I164-S166 PolarHBondContact O-N 3.36Å
165	Y	46.1	Very low	48.6	Very low	230 Å²	230	119.7 Å²	119.7	90%	0.902	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	1.4	179.4	-72.9	-74.8	0	0	0	115.9
166	S	52.7	Low	48.4	Very low	101 Å²	101	121.5 Å²	121.5	71%	0.706	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-10.1	-173.3	54.4	0	0	0	0	116.1	I164	I164-S166 PolarHBondContact O-N 3.36Å
167	T	57.3	Low	49	Very low	110 Å²	110	118.1 Å²	118.1	68%	0.675	64%	0.637	S	S	*	*			trans	-119	22.1	-162	-28.1	0	0	0	0	114.8
168	I	56.9	Low	49.3	Very low	94 Å²	94	115.7 Å²	115.7	48%	0.482	64%	0.643	S	S	.	*	S	Bend	trans	-91.2	120.9	172.3	-53.6	174.7	0	0	0	108.4	A170	I168-A170 PolarHBondContact O-N 3.2Å
169	P	59.4	Low	49.4	Very low	76 Å²	76	107 Å²	107	49%	0.494	62%	0.618	S	S	.	*			trans	-60.3	128.4	173.5	23.6	-30.5	0	0	0	109.6	T171 W172	P169-T171 PolarHBondContact O-N 3.19Å; P169-W172 HydrophobicContact CG-CZ2 4.39Å
170	A	59.3	Low	49.6	Very low	33 Å²	33	107.4 Å²	107.4	27%	0.273	61%	0.61	S	S	.	*	S	Bend	trans	-67.8	-19.6	-176.1	0	0	0	0	0	113.3	I168 W185 R186	I168-A170 PolarHBondContact O-N 3.2Å; A170-W185 PolarHBondContact O-N 3.41Å; A170-R186 HydrophobicContact CB-CG 4.33Å
171	T	59.9	Low	49.7	Very low	65 Å²	65	110 Å²	110	40%	0.399	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	123.5	-170.9	13.3	0	0	0	0	109.5	P169 D184	P169-T171 PolarHBondContact O-N 3.19Å; T171-D184 HydrophobicContact CG2-CB 4.33Å
172	W	53.3	Low	50.2	Low	111 Å²	111	107 Å²	107	42%	0.42	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	132.6	165.5	-72.4	80.6	0	0	0	108.3	P169 V183 W185	P169-W172 HydrophobicContact CG-CZ2 4.39Å; W172-V183 PolarHBondContact N-O 2.77Å; W172-V183 PolarHBondContact O-N 3.07Å; W172-W185 AromaticContact CD1-CD1 3.79Å; W172-W185 AromaticContact CD1-NE1 3.53Å
173	H	53.9	Low	51.2	Low	117 Å²	117	103.3 Å²	103.3	54%	0.542	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.4	116.2	168.7	-80	-93.7	0	0	0	108	L180 F181 S182	H173-L180 HydrophobicContact CB-CD2 4.29Å; H173-F181 WeakPolarHBondContact CA-O 3.03Å; H173-S182 PolarHBondContact CE1-OG 3.44Å; H173-S182 VanDerWaalsContact CE1-OG 3.3Å; H173-S182 PolarHBondContact NE2-OG 3.48Å
174	L	52	Low	52.3	Low	69 Å²	69	96 Å²	96	36%	0.361	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.1	169.8	-84.3	147.2	0	0	0	107.4	F181	L174-F181 PolarHBondContact N-O 2.94Å; L174-F181 PolarHBondContact O-N 3.4Å
175	S	40.7	Very low	52.7	Low	80 Å²	80	93.7 Å²	93.7	56%	0.559	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	112.6	170.6	-162.9	0	0	0	0	108.1	G177 A179	S175-G177 PolarHBondContact OG-O 2.92Å; S175-A179 WeakPolarHBondContact CA-O 3.07Å
176	F	42.4	Very low	53.1	Low	130 Å²	130	91.3 Å²	91.3	57%	0.57	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	102.8	167.1	-107.4	-90	0	0	0	107.5	F139 S178 A179	F139-F176 HydrophobicContact CE1-CE2 4.4Å; F139-F176 HydrophobicContact CE1-CZ 4.38Å; F139-F176 HydrophobicContact CE2-CZ 4.09Å; F139-F176 HydrophobicContact CZ-CE2 4.32Å; F139-F176 AromaticContact CZ-CZ 3.86Å; F139-F176 HydrophobicContact CZ-CZ 3.86Å; F176-S178 PolarHBondContact O-N 2.75Å; F176-A179 PolarHBondContact N-O 2.82Å; F176-A179 PolarHBondContact O-N 2.99Å; F176-A179 VanDerWaalsContact O-N 3.08Å
177	G	64.8	Low	53.4	Low	72 Å²	72	94.4 Å²	94.4	74%	0.742	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-124.5	-170.8	0	0	0	0	0	111.3	S175	S175-G177 PolarHBondContact OG-O 2.92Å
178	S	53.1	Low	53.2	Low	131 Å²	131	91.5 Å²	91.5	92%	0.916	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.1	177.5	47.5	0	0	0	0	114.6	F176	F176-S178 PolarHBondContact O-N 2.75Å
179	A	43.5	Very low	52.8	Low	37 Å²	37	95 Å²	95	31%	0.306	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.7	-179.9	0	0	0	0	0	111.2	S175 F176 F181	S175-A179 WeakPolarHBondContact CA-O 3.07Å; F176-A179 PolarHBondContact N-O 2.82Å; F176-A179 PolarHBondContact O-N 2.99Å; F176-A179 VanDerWaalsContact O-N 3.08Å; A179-F181 HydrophobicContact CB-CD2 4.09Å; A179-F181 HydrophobicContact CB-CE2 3.56Å; A179-F181 HydrophobicContact CB-CZ 4.39Å
180	L	45.3	Very low	52.4	Low	127 Å²	127	97.6 Å²	97.6	67%	0.665	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.1	169.4	-87.9	162.5	0	0	0	109.2	H173	H173-L180 HydrophobicContact CB-CD2 4.29Å
181	F	46	Very low	51.8	Low	129 Å²	129	103.2 Å²	103.2	57%	0.566	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	126	169.7	-71.4	-87.4	0	0	0	109.4	H173 L174 A179	H173-F181 WeakPolarHBondContact CA-O 3.03Å; L174-F181 PolarHBondContact N-O 2.94Å; L174-F181 PolarHBondContact O-N 3.4Å; A179-F181 HydrophobicContact CB-CD2 4.09Å; A179-F181 HydrophobicContact CB-CE2 3.56Å; A179-F181 HydrophobicContact CB-CZ 4.39Å
182	S	46.9	Very low	51.2	Low	70 Å²	70	104.4 Å²	104.4	49%	0.49	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	116.8	171.3	-155.3	0	0	0	0	108.4	H173	H173-S182 PolarHBondContact CE1-OG 3.44Å; H173-S182 VanDerWaalsContact CE1-OG 3.3Å; H173-S182 PolarHBondContact NE2-OG 3.48Å
183	V	57.9	Low	50.9	Low	52 Å²	52	103.6 Å²	103.6	32%	0.315	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	115.1	177.7	-179.4	0	0	0	0	108.2	W172 W185	W172-V183 PolarHBondContact N-O 2.77Å; W172-V183 PolarHBondContact O-N 3.07Å; V183-W185 HydrophobicContact CG1-CD2 4.14Å; V183-W185 HydrophobicContact CG1-CG 4.47Å; V183-W185 HydrophobicContact CG1-CZ2 4.09Å
184	D	59.5	Low	50.8	Low	69 Å²	69	106 Å²	106	37%	0.369	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	101.2	173.3	-173.8	-2.2	0	0	0	109.7	T171 R186 K187	T171-D184 HydrophobicContact CG2-CB 4.33Å; D184-R186 PolarHBondContact O-N 3.04Å; D184-R186 WeakPolarHBondContact OD1-CB 3.48Å; D184-R186 PolarHBondContact OD1-N 3.13Å; D184-K187 PolarHBondContact O-N 3.26Å
185	W	56.9	Low	50.5	Low	64 Å²	64	112.9 Å²	112.9	24%	0.242	60%	0.6	C	S	.	*	H	α-helix	trans	-70	-17.2	-175	-65.8	91.4	0	0	0	113.1	F140 T143 A170 W172 V183 K187 A188 F189	F140-W185 AromaticContact CD2-CH2 3.93Å; F140-W185 HydrophobicContact CD2-CH2 3.93Å; F140-W185 HydrophobicContact CD2-CZ3 4.07Å; F140-W185 HydrophobicContact CE2-CE3 4.44Å; F140-W185 AromaticContact CE2-CH2 3.66Å; F140-W185 HydrophobicContact CE2-CH2 3.66Å; F140-W185 AromaticContact CE2-CZ3 3.33Å; F140-W185 HydrophobicContact CE2-CZ3 3.33Å; F140-W185 HydrophobicContact CZ-CH2 4.41Å; F140-W185 AromaticContact CZ-CZ3 3.72Å; F140-W185 HydrophobicContact CZ-CZ3 3.72Å; T143-W185 HydrophobicContact CG2-CZ2 4.38Å; A170-W185 PolarHBondContact O-N 3.41Å; W172-W185 AromaticContact CD1-CD1 3.79Å; W172-W185 AromaticContact CD1-NE1 3.53Å; V183-W185 HydrophobicContact CG1-CD2 4.14Å; V183-W185 HydrophobicContact CG1-CG 4.47Å; V183-W185 HydrophobicContact CG1-CZ2 4.09Å; W185-K187 PolarHBondContact O-N 2.92Å; W185-A188 PolarHBondContact O-N 3.33Å; W185-F189 PolarHBondContact O-N 3.01Å
186	R	53	Low	51	Low	181 Å²	181	117.2 Å²	117.2	68%	0.683	63%	0.631	S	S	*	*	H	α-helix	trans	-63	-28.5	177.7	-67.2	-173.9	-179.7	-136.2	0.3	112.3	A170 D184	A170-R186 HydrophobicContact CB-CG 4.33Å; D184-R186 PolarHBondContact O-N 3.04Å; D184-R186 WeakPolarHBondContact OD1-CB 3.48Å; D184-R186 PolarHBondContact OD1-N 3.13Å
187	K	58.9	Low	51.4	Low	165 Å²	165	116.6 Å²	116.6	72%	0.717	63%	0.634	S	S	*	*	H	α-helix	trans	-84.7	-26.1	178.3	-66.8	-170.9	-179.6	-178.5	0	113.3	D184 W185	D184-K187 PolarHBondContact O-N 3.26Å; W185-K187 PolarHBondContact O-N 2.92Å
188	A	54.3	Low	50.7	Low	50 Å²	50	118.9 Å²	118.9	41%	0.413	63%	0.628	S	S	.	*	H	α-helix	trans	-74.2	-35	-178.4	0	0	0	0	0	112.9	W185 I190	W185-A188 PolarHBondContact O-N 3.33Å; A188-I190 PolarHBondContact O-N 2.87Å
189	F	48.8	Very low	50.5	Low	168 Å²	168	118.3 Å²	118.3	74%	0.737	61%	0.612	S	S	*	*	H	α-helix	trans	-75.9	-23.6	-172.2	-149.1	-95	0	0	0	114	W185 Q191 S192	W185-F189 PolarHBondContact O-N 3.01Å; F189-Q191 VanDerWaalsContact C-N 3.27Å; F189-Q191 PolarHBondContact O-N 3.34Å; F189-S192 PolarHBondContact O-N 3.13Å
190	I	50.1	Low	51	Low	129 Å²	129	123.1 Å²	123.1	66%	0.662	63%	0.63	S	S	*	*	H	α-helix	trans	-71.2	-24.2	-176.8	-63.3	178.5	0	0	0	111.8	A188	A188-I190 PolarHBondContact O-N 2.87Å
191	Q	47.8	Very low	51.3	Low	152 Å²	152	122.8 Å²	122.8	71%	0.71	63%	0.628	S	S	*	*	H	α-helix	trans	-78.7	-25	-178	-138.7	119.3	-2.4	0	0	113.1	F189	F189-Q191 VanDerWaalsContact C-N 3.27Å; F189-Q191 PolarHBondContact O-N 3.34Å
192	S	46.5	Very low	51.7	Low	90 Å²	90	122.4 Å²	122.4	63%	0.629	63%	0.632	S	S	*	*	H	α-helix	trans	-83.9	-19.6	-174.1	-157.7	0	0	0	0	113.4	F189 M194	F189-S192 PolarHBondContact O-N 3.13Å; S192-M194 VanDerWaalsContact C-N 3.31Å
193	S	47.4	Very low	52	Low	93 Å²	93	126.1 Å²	126.1	65%	0.65	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-1.9	177.4	101.1	0	0	0	0	113.7
194	M	50.4	Low	51.6	Low	168 Å²	168	131.8 Å²	131.8	83%	0.828	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	2.6	176.2	-96.3	-164.1	160.8	0	0	113.9	S192	S192-M194 VanDerWaalsContact C-N 3.31Å
195	Y	47.1	Very low	50.9	Low	213 Å²	213	137.1 Å²	137.1	84%	0.835	69%	0.693	S	S	*	*			trans	-120.3	18.8	-177.8	-90.4	-77.7	0	0	0	115.1
196	S	49.6	Very low	50.3	Low	172 Å²	172	143.7 Å²	143.7	100%	1.203	73%	0.733	S	S	*	*			trans	-131.4	0	167.3	-172.2	0	0	0	0	111

Retrieved 196 of 196 residues in 65 ms (Link to these results)

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