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Calcium and integrin-binding family member 2

Calcium- and integrin-binding protein that plays a role in intracellular calcium homeostasis (By similarity). Acts as an auxiliary subunit of the sensory mechanoelectrical transduction (MET) channel in hair cells (By similarity). Essential for mechanoelectrical transduction (MET) currents in auditory hair cells and thereby required for hearing (By similarity). Regulates the function of hair cell mechanotransduction by controlling the distribution of transmembrane channel-like proteins TMC1 and TMC2, and by regulating the function of the MET channels in hair cells (By similarity). Required for the maintenance of auditory hair cell stereocilia bundle morphology and function and for hair-cell survival in the cochlea (By similarity). Critical for proper photoreceptor cell maintenance and function (By similarity). Plays a role in intracellular calcium homeostasis by decreasing ATP-induced calcium release^1,2,3.

AlphaFold DB , UniProt , Accession O75838, Species HUMAN (Homo sapiens, Human), Gene CIB2, Length 187 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	34	Very low	70.4	Confident	244 Å²	244	113.9 Å²	113.9	100%	1.202	60%	0.598	S	S	*	*				0	86.8	0	-69.5	171.6	170.4	0	0	107.1	N3	M1-N3 PolarHBondContact O-N 2.61Å
2	G	42.8	Very low	72.1	Confident	74 Å²	74	106.3 Å²	106.3	76%	0.763	56%	0.557	S	S	*	*			trans	-75.7	107.2	179	0	0	0	0	0	108.1	K4	G2-K4 VanDerWaalsContact C-N 3.34Å; G2-K4 PolarHBondContact O-N 3.42Å
3	N	45.6	Very low	73.7	Confident	154 Å²	154	99.3 Å²	99.3	82%	0.824	52%	0.521	S	S	*	.			trans	-53.7	108	161.5	-95.3	-16.5	0	0	0	105.6	M1 Q5	M1-N3 PolarHBondContact O-N 2.61Å; N3-Q5 PolarHBondContact O-N 3.01Å
4	K	53.6	Low	75	Confident	195 Å²	195	97.1 Å²	97.1	85%	0.848	51%	0.509	S	S	*	.			trans	-62.5	93.9	164.7	-75.1	-175.9	176.4	-176.8	0	104.7	G2 T6	G2-K4 VanDerWaalsContact C-N 3.34Å; G2-K4 PolarHBondContact O-N 3.42Å; K4-T6 PolarHBondContact O-N 2.98Å
5	Q	60.5	Low	76.2	Confident	152 Å²	152	96.5 Å²	96.5	71%	0.71	51%	0.507	S	S	*	.			trans	-59.3	108.4	169.2	-79.7	-179.4	-15	0	0	105.7	N3 I7	N3-Q5 PolarHBondContact O-N 3.01Å; Q5-I7 PolarHBondContact O-N 3.11Å
6	T	81.6	Confident	77.2	Confident	84 Å²	84	92.7 Å²	92.7	52%	0.515	48%	0.484	S	S	.	.			trans	-77.8	102.9	175.2	38.2	0	0	0	0	107.6	K4	K4-T6 PolarHBondContact O-N 2.98Å
7	I	88.2	Confident	78	Confident	29 Å²	29	92.3 Å²	92.3	15%	0.149	48%	0.479	C	S	.	.			trans	-66.5	-45.1	178.2	-58	177.8	0	0	0	109.9	Q5 L28 H31 M44 Y46 R47	Q5-I7 PolarHBondContact O-N 3.11Å; I7-L28 HydrophobicContact CB-CD2 4.3Å; I7-L28 HydrophobicContact CD1-CD2 4.07Å; I7-H31 VanDerWaalsContact CG2-CE1 3.46Å; I7-H31 WeakPolarHBondContact CG2-CE1 3.02Å; I7-M44 WeakPolarHBondContact CA-O 3.2Å; I7-M44 WeakPolarHBondContact CG2-O 3.38Å; I7-Y46 CarbonylContact O-C 3.56Å; I7-Y46 WeakPolarHBondContact O-CA 3.48Å; I7-Y46 PolarHBondContact O-N 2.76Å; I7-R47 PolarHBondContact O-N 3.23Å
8	F	91.8	Very high	78.6	Confident	7 Å²	7	94.5 Å²	94.5	3%	0.031	49%	0.492	C	S	.	.	S	Bend	trans	-118.6	161.4	-179.3	-61.1	-79.8	0	0	0	110.8	Q12 L13 Y16 I27 L28 H31 Y46 F88	F8-Q12 HydrophobicContact CB-CB 4.08Å; F8-Q12 HydrophobicContact CD1-CB 4.32Å; F8-L13 HydrophobicContact CB-CD1 4.41Å; F8-L13 HydrophobicContact CB-CD2 3.96Å; F8-L13 HydrophobicContact CB-CG 3.8Å; F8-L13 HydrophobicContact CD2-CD2 3.87Å; F8-L13 HydrophobicContact CG-CD2 4.13Å; F8-L13 HydrophobicContact CG-CG 4.5Å; F8-Y16 HydrophobicContact CD1-CE2 4.13Å; F8-Y16 AromaticContact CE1-CE2 3.91Å; F8-Y16 HydrophobicContact CE1-CE2 3.91Å; F8-I27 HydrophobicContact CE2-CG2 4.39Å; F8-L28 HydrophobicContact CD2-CD2 3.98Å; F8-L28 HydrophobicContact CE2-CD2 4.35Å; F8-H31 HydrophobicContact CE2-CB 3.78Å; F8-H31 AromaticContact CE2-CG 3.93Å; F8-H31 HydrophobicContact CZ-CB 3.98Å; F8-H31 AromaticContact CZ-CD2 3.69Å; F8-H31 AromaticContact CZ-CG 3.97Å; F8-Y46 HydrophobicContact CD1-CG 4.46Å; F8-Y46 AromaticContact CE1-CD1 3.82Å; F8-Y46 HydrophobicContact CE1-CD1 3.82Å; F8-Y46 AromaticContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CZ-CD1 4.36Å; F8-Y46 HydrophobicContact CZ-CG 4.14Å; F8-F88 HydrophobicContact CE1-CD1 4.16Å; F8-F88 AromaticContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE2-CE1 4.27Å; F8-F88 HydrophobicContact CE2-CZ 4.42Å; F8-F88 AromaticContact CZ-CD1 3.95Å; F8-F88 HydrophobicContact CZ-CD1 3.95Å; F8-F88 AromaticContact CZ-CE1 3.32Å; F8-F88 HydrophobicContact CZ-CE1 3.32Å; F8-F88 AromaticContact CZ-CZ 3.8Å; F8-F88 HydrophobicContact CZ-CZ 3.8Å
9	T	91.8	Very high	79.2	Confident	50 Å²	50	95.1 Å²	95.1	31%	0.307	50%	0.504	S	S	.	.			trans	-73.9	160.5	163	68.1	0	0	0	0	110.1	E11 Q12 L13 R47	T9-E11 VanDerWaalsContact C-N 3.29Å; T9-E11 PolarHBondContact O-N 3.29Å; T9-Q12 PolarHBondContact O-N 3.02Å; T9-Q12 WeakPolarHBondContact OG1-CB 3.4Å; T9-Q12 VanDerWaalsContact OG1-CG 3.29Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.42Å; T9-Q12 PolarHBondContact OG1-N 3.19Å; T9-Q12 VanDerWaalsContact OG1-N 3.12Å; T9-Q12 PolarHBondContact OG1-OE1 3.34Å; T9-L13 PolarHBondContact O-N 3.21Å; T9-L13 VanDerWaalsContact O-N 3.13Å; T9-R47 HydrophobicContact CG2-CB 3.97Å; T9-R47 HydrophobicContact CG2-CG 3.87Å
10	E	92	Very high	79.6	Confident	127 Å²	127	91 Å²	91	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-59.7	-41.9	174	-74.5	-69.1	165.3	0	0	111.3	Q12 L13 D14 K24	E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-Q12 PolarHBondContact O-N 2.9Å; E10-L13 PolarHBondContact O-N 3.14Å; E10-L13 VanDerWaalsContact O-N 3.13Å; E10-D14 VanDerWaalsContact O-CG 3.26Å; E10-D14 PolarHBondContact O-N 3.41Å; E10-K24 IonicContact OE2-NZ 3.68Å; E10-K24 PolarHBondContact OE2-NZ 3.38Å
11	E	92.2	Very high	80	Confident	137 Å²	137	91 Å²	91	64%	0.64	48%	0.478	S	S	*	.	H	α-helix	trans	-59.4	-41.3	176.4	-175.9	-177.9	-179.4	0	0	112.6	T9 D14 N15	T9-E11 VanDerWaalsContact C-N 3.29Å; T9-E11 PolarHBondContact O-N 3.29Å; E11-D14 PolarHBondContact O-N 3.3Å; E11-N15 WeakPolarHBondContact O-CB 3.15Å; E11-N15 PolarHBondContact O-N 3.31Å; E11-N15 PolarHBondContact O-ND2 3.5Å
12	Q	91.8	Very high	82.7	Confident	23 Å²	23	80.4 Å²	80.4	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-42.9	174.8	-76.8	172.7	-39.2	0	0	111.7	F8 T9 E10 D14 N15 Y16 Y46 S49	F8-Q12 HydrophobicContact CB-CB 4.08Å; F8-Q12 HydrophobicContact CD1-CB 4.32Å; T9-Q12 PolarHBondContact O-N 3.02Å; T9-Q12 WeakPolarHBondContact OG1-CB 3.4Å; T9-Q12 VanDerWaalsContact OG1-CG 3.29Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.42Å; T9-Q12 PolarHBondContact OG1-N 3.19Å; T9-Q12 VanDerWaalsContact OG1-N 3.12Å; T9-Q12 PolarHBondContact OG1-OE1 3.34Å; E10-Q12 VanDerWaalsContact C-N 3.35Å; E10-Q12 PolarHBondContact O-N 2.9Å; Q12-D14 VanDerWaalsContact C-N 3.34Å; Q12-N15 PolarHBondContact O-N 2.89Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.44Å; Q12-Y16 PolarHBondContact O-N 3.12Å; Q12-Y46 PolarHBondContact NE2-O 3.47Å; Q12-S49 PolarHBondContact NE2-OG 3.28Å
13	L	91.9	Very high	85	Confident	15 Å²	15	80.3 Å²	80.3	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-66.7	-36.7	177.8	-69.8	173.4	0	0	0	112.2	F8 T9 E10 Q17 K24 I27 L28	F8-L13 HydrophobicContact CB-CD1 4.41Å; F8-L13 HydrophobicContact CB-CD2 3.96Å; F8-L13 HydrophobicContact CB-CG 3.8Å; F8-L13 HydrophobicContact CD2-CD2 3.87Å; F8-L13 HydrophobicContact CG-CD2 4.13Å; F8-L13 HydrophobicContact CG-CG 4.5Å; T9-L13 PolarHBondContact O-N 3.21Å; T9-L13 VanDerWaalsContact O-N 3.13Å; E10-L13 PolarHBondContact O-N 3.14Å; E10-L13 VanDerWaalsContact O-N 3.13Å; L13-Q17 WeakPolarHBondContact O-CB 3.38Å; L13-Q17 PolarHBondContact O-N 3.01Å; L13-K24 HydrophobicContact CB-CD 3.83Å; L13-K24 HydrophobicContact CB-CG 3.99Å; L13-K24 HydrophobicContact CD1-CD 4.22Å; L13-I27 HydrophobicContact CD2-CB 4.43Å; L13-I27 HydrophobicContact CD2-CG2 4.07Å; L13-L28 HydrophobicContact CD2-CD2 4.45Å
14	D	92.5	Very high	87.2	Confident	68 Å²	68	75.6 Å²	75.6	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-48	173.8	-68.8	-25.5	0	0	0	110.1	E10 E11 Q12 Y16 Q17 D18 K24	E10-D14 VanDerWaalsContact O-CG 3.26Å; E10-D14 PolarHBondContact O-N 3.41Å; E11-D14 PolarHBondContact O-N 3.3Å; Q12-D14 VanDerWaalsContact C-N 3.34Å; D14-Y16 PolarHBondContact O-N 3.01Å; D14-Q17 PolarHBondContact O-N 2.98Å; D14-Q17 VanDerWaalsContact O-N 3.08Å; D14-D18 WeakPolarHBondContact O-CB 3.35Å; D14-D18 PolarHBondContact O-N 3.39Å; D14-K24 WeakPolarHBondContact OD1-CE 3.29Å; D14-K24 IonicContact OD1-NZ 3.41Å; D14-K24 PolarHBondContact OD1-NZ 3.21Å
15	N	92.4	Very high	89	Confident	88 Å²	88	73.8 Å²	73.8	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-44.3	177	-69.5	-20.7	0	0	0	112.6	E11 Q12 Q17 D18 C19	E11-N15 WeakPolarHBondContact O-CB 3.15Å; E11-N15 PolarHBondContact O-N 3.31Å; E11-N15 PolarHBondContact O-ND2 3.5Å; Q12-N15 PolarHBondContact O-N 2.89Å; N15-Q17 VanDerWaalsContact C-N 3.32Å; N15-Q17 PolarHBondContact O-N 3.23Å; N15-D18 PolarHBondContact O-N 3.35Å; N15-C19 WeakPolarHBondContact O-CB 3.19Å; N15-C19 PolarHBondContact O-N 3.48Å; N15-C19 PolarHBondContact O-SG 2.72Å; N15-C19 VanDerWaalsContact O-SG 3.39Å
16	Y	92.6	Very high	90.5	Very high	36 Å²	36	68.5 Å²	68.5	14%	0.141	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-40.5	175.2	-77.9	-60.8	0	0	0	112	F8 Q12 D14 D18 C19 T20 I27 F88 N89 V92	F8-Y16 HydrophobicContact CD1-CE2 4.13Å; F8-Y16 AromaticContact CE1-CE2 3.91Å; F8-Y16 HydrophobicContact CE1-CE2 3.91Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.44Å; Q12-Y16 PolarHBondContact O-N 3.12Å; D14-Y16 PolarHBondContact O-N 3.01Å; Y16-D18 VanDerWaalsContact C-N 3.3Å; Y16-D18 PolarHBondContact O-N 3.19Å; Y16-C19 PolarHBondContact O-N 2.88Å; Y16-T20 VanDerWaalsContact O-CB 3.26Å; Y16-T20 WeakPolarHBondContact O-CB 3.37Å; Y16-T20 VanDerWaalsContact O-CG2 3.23Å; Y16-T20 WeakPolarHBondContact O-CG2 3.37Å; Y16-T20 PolarHBondContact O-N 3.47Å; Y16-T20 PolarHBondContact O-OG1 3.06Å; Y16-I27 HydrophobicContact CD2-CG2 3.83Å; Y16-I27 HydrophobicContact CE2-CG2 4.44Å; Y16-I27 HydrophobicContact CG-CD1 4.29Å; Y16-I27 HydrophobicContact CG-CG1 4.48Å; Y16-I27 HydrophobicContact CG-CG2 4.07Å; Y16-F88 HydrophobicContact CE1-CE1 4.33Å; Y16-F88 HydrophobicContact CE2-CE1 4.02Å; Y16-F88 AromaticContact CZ-CD1 3.95Å; Y16-F88 AromaticContact CZ-CE1 3.75Å; Y16-F88 WeakPolarHBondContact OH-CD1 3.3Å; Y16-N89 WeakPolarHBondContact CE1-OD1 3.33Å; Y16-N89 PolarHBondContact OH-OD1 3.38Å; Y16-V92 HydrophobicContact CD1-CG1 4.14Å; Y16-V92 HydrophobicContact CE1-CG1 4.49Å; Y16-V92 HydrophobicContact CE1-CG2 4.44Å
17	Q	90.2	Very high	91	Very high	86 Å²	86	64.5 Å²	64.5	40%	0.402	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-31.8	179.2	-176	174.4	-43.8	0	0	112.2	L13 D14 N15 K24	L13-Q17 WeakPolarHBondContact O-CB 3.38Å; L13-Q17 PolarHBondContact O-N 3.01Å; D14-Q17 PolarHBondContact O-N 2.98Å; D14-Q17 VanDerWaalsContact O-N 3.08Å; N15-Q17 VanDerWaalsContact C-N 3.32Å; N15-Q17 PolarHBondContact O-N 3.23Å; Q17-K24 VanDerWaalsContact OE1-CG 3.31Å
18	D	89.9	Confident	91.3	Very high	132 Å²	132	66.2 Å²	66.2	71%	0.706	33%	0.333	S	S	*	.	H	α-helix	trans	-77.1	-31.5	177.9	-71.5	-14.3	0	0	0	112.4	D14 N15 Y16	D14-D18 WeakPolarHBondContact O-CB 3.35Å; D14-D18 PolarHBondContact O-N 3.39Å; N15-D18 PolarHBondContact O-N 3.35Å; Y16-D18 VanDerWaalsContact C-N 3.3Å; Y16-D18 PolarHBondContact O-N 3.19Å
19	C	88.9	Confident	91.3	Very high	106 Å²	106	71.4 Å²	71.4	72%	0.716	36%	0.356	S	S	*	.	H	α-helix	trans	-93.9	-9.4	-177.9	-66.5	0	0	0	0	114.5	N15 Y16	N15-C19 WeakPolarHBondContact O-CB 3.19Å; N15-C19 PolarHBondContact O-N 3.48Å; N15-C19 PolarHBondContact O-SG 2.72Å; N15-C19 VanDerWaalsContact O-SG 3.39Å; Y16-C19 PolarHBondContact O-N 2.88Å
20	T	89	Confident	91.4	Very high	13 Å²	13	69.2 Å²	69.2	8%	0.08	34%	0.342	C	S	.	.	S	Bend	trans	-132	169.3	-173.5	75.2	0	0	0	0	111.7	Y16 F22 V92 S96	Y16-T20 VanDerWaalsContact O-CB 3.26Å; Y16-T20 WeakPolarHBondContact O-CB 3.37Å; Y16-T20 VanDerWaalsContact O-CG2 3.23Å; Y16-T20 WeakPolarHBondContact O-CG2 3.37Å; Y16-T20 PolarHBondContact O-N 3.47Å; Y16-T20 PolarHBondContact O-OG1 3.06Å; T20-F22 PolarHBondContact O-N 2.99Å; T20-F22 PolarHBondContact OG1-N 2.96Å; T20-V92 HydrophobicContact CG2-CG1 3.59Å; T20-S96 WeakPolarHBondContact CB-OG 3.26Å
21	F	86.7	Confident	91.5	Very high	91 Å²	91	63.1 Å²	63.1	40%	0.399	31%	0.314	S	S	.	.	S	Bend	trans	-82.6	11	174	-55.1	-73.2	0	0	0	113.3	S96 A102 P103 L106	F21-S96 WeakPolarHBondContact CD2-O 3.33Å; F21-S96 VanDerWaalsContact CD2-OG 3.31Å; F21-S96 WeakPolarHBondContact CD2-OG 3.06Å; F21-S96 PolarHBondContact N-OG 3.31Å; F21-A102 HydrophobicContact CD2-CB 3.98Å; F21-A102 HydrophobicContact CE2-CB 3.82Å; F21-P103 HydrophobicContact CE1-CG 4.36Å; F21-P103 HydrophobicContact CZ-CG 3.95Å; F21-L106 HydrophobicContact CE2-CD2 3.93Å; F21-L106 HydrophobicContact CZ-CD2 4.34Å
22	F	90.4	Very high	91.5	Very high	22 Å²	22	59.1 Å²	59.1	10%	0.096	30%	0.301	C	S	.	.			trans	-106.6	144	-172.7	-64.5	-45.7	0	0	0	112.8	T20 D26 I27 L30 V92 F95 S96 C99 I187	T20-F22 PolarHBondContact O-N 2.99Å; T20-F22 PolarHBondContact OG1-N 2.96Å; F22-D26 HydrophobicContact CB-CB 3.95Å; F22-D26 HydrophobicContact CD1-CB 4.02Å; F22-D26 HydrophobicContact CG-CB 4.17Å; F22-I27 HydrophobicContact CB-CD1 3.69Å; F22-I27 HydrophobicContact CB-CG1 4.19Å; F22-I27 HydrophobicContact CD2-CD1 4.12Å; F22-I27 HydrophobicContact CG-CD1 4.38Å; F22-L30 HydrophobicContact CD2-CD1 3.68Å; F22-L30 HydrophobicContact CE2-CD1 3.61Å; F22-L30 HydrophobicContact CG-CD1 4.49Å; F22-L30 HydrophobicContact CZ-CD1 4.39Å; F22-V92 HydrophobicContact CD2-CG1 4.49Å; F22-F95 HydrophobicContact CE2-CB 3.9Å; F22-F95 VanDerWaalsContact CZ-C 3.43Å; F22-F95 HydrophobicContact CZ-CB 3.89Å; F22-F95 VanDerWaalsContact CZ-O 3.3Å; F22-F95 WeakPolarHBondContact CZ-O 3.29Å; F22-S96 VanDerWaalsContact CE2-CA 3.47Å; F22-S96 VanDerWaalsContact CE2-N 3.31Å; F22-C99 HydrophobicContact CE1-CB 4.07Å; F22-C99 HydrophobicContact CZ-CB 4.18Å; F22-I187 HydrophobicContact CZ-CD1 4.39Å
23	N	91.2	Very high	91.6	Very high	72 Å²	72	62.8 Å²	62.8	39%	0.385	31%	0.313	S	S	.	.			trans	-83.7	166.7	168.1	65.8	64.7	0	0	0	110.7	K25 D26 I27	N23-K25 PolarHBondContact O-N 3.22Å; N23-K25 WeakPolarHBondContact OD1-CA 3.27Å; N23-K25 VanDerWaalsContact OD1-CB 3.23Å; N23-K25 WeakPolarHBondContact OD1-CB 3.48Å; N23-K25 PolarHBondContact OD1-N 3.27Å; N23-D26 VanDerWaalsContact CG-OD2 3.23Å; N23-D26 PolarHBondContact ND2-OD2 2.82Å; N23-D26 PolarHBondContact O-N 3.03Å; N23-D26 PolarHBondContact OD1-N 3.38Å; N23-D26 PolarHBondContact OD1-OD2 3.36Å; N23-I27 PolarHBondContact O-N 3.42Å; N23-I27 VanDerWaalsContact O-N 3.14Å
24	K	91.7	Very high	91.7	Very high	54 Å²	54	62 Å²	62	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-49.2	-34.4	178.7	-54.6	-169	171.4	-178.1	0	114.6	E10 L13 D14 Q17 L28	E10-K24 IonicContact OE2-NZ 3.68Å; E10-K24 PolarHBondContact OE2-NZ 3.38Å; L13-K24 HydrophobicContact CB-CD 3.83Å; L13-K24 HydrophobicContact CB-CG 3.99Å; L13-K24 HydrophobicContact CD1-CD 4.22Å; D14-K24 WeakPolarHBondContact OD1-CE 3.29Å; D14-K24 IonicContact OD1-NZ 3.41Å; D14-K24 PolarHBondContact OD1-NZ 3.21Å; Q17-K24 VanDerWaalsContact OE1-CG 3.31Å; K24-L28 VanDerWaalsContact O-CG 3.27Å; K24-L28 WeakPolarHBondContact O-CG 3.2Å; K24-L28 PolarHBondContact O-N 2.96Å; K24-L28 VanDerWaalsContact O-N 3.13Å
25	K	91.3	Very high	91.8	Very high	157 Å²	157	62.2 Å²	62.2	68%	0.683	31%	0.306	S	S	*	.	H	α-helix	trans	-70.7	-37.9	179.5	-61.2	179	179.4	173	0	111.6	N23 L28 K29	N23-K25 PolarHBondContact O-N 3.22Å; N23-K25 WeakPolarHBondContact OD1-CA 3.27Å; N23-K25 VanDerWaalsContact OD1-CB 3.23Å; N23-K25 WeakPolarHBondContact OD1-CB 3.48Å; N23-K25 PolarHBondContact OD1-N 3.27Å; K25-L28 PolarHBondContact O-N 3Å; K25-K29 WeakPolarHBondContact O-CG 3.42Å; K25-K29 PolarHBondContact O-N 2.68Å
26	D	91.6	Very high	91.8	Very high	42 Å²	42	63 Å²	63	23%	0.225	31%	0.307	C	S	.	.	H	α-helix	trans	-71.1	-37.7	179.4	-60.9	-37.7	0	0	0	110.6	F22 N23 L28 K29 L30	F22-D26 HydrophobicContact CB-CB 3.95Å; F22-D26 HydrophobicContact CD1-CB 4.02Å; F22-D26 HydrophobicContact CG-CB 4.17Å; N23-D26 VanDerWaalsContact CG-OD2 3.23Å; N23-D26 PolarHBondContact ND2-OD2 2.82Å; N23-D26 PolarHBondContact O-N 3.03Å; N23-D26 PolarHBondContact OD1-N 3.38Å; N23-D26 PolarHBondContact OD1-OD2 3.36Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.37Å; D26-K29 WeakPolarHBondContact O-CB 3.43Å; D26-K29 PolarHBondContact O-N 3.06Å; D26-K29 VanDerWaalsContact O-N 3.16Å; D26-K29 IonicContact OD1-NZ 2.73Å; D26-K29 PolarHBondContact OD1-NZ 2.99Å; D26-L30 WeakPolarHBondContact O-CG 3.47Å; D26-L30 PolarHBondContact O-N 2.98Å
27	I	93.3	Very high	91.9	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-43.4	170.2	-57.9	-57.9	0	0	0	111.9	F8 L13 Y16 F22 N23 K29 L30 H31 F88 V92	F8-I27 HydrophobicContact CE2-CG2 4.39Å; L13-I27 HydrophobicContact CD2-CB 4.43Å; L13-I27 HydrophobicContact CD2-CG2 4.07Å; Y16-I27 HydrophobicContact CD2-CG2 3.83Å; Y16-I27 HydrophobicContact CE2-CG2 4.44Å; Y16-I27 HydrophobicContact CG-CD1 4.29Å; Y16-I27 HydrophobicContact CG-CG1 4.48Å; Y16-I27 HydrophobicContact CG-CG2 4.07Å; F22-I27 HydrophobicContact CB-CD1 3.69Å; F22-I27 HydrophobicContact CB-CG1 4.19Å; F22-I27 HydrophobicContact CD2-CD1 4.12Å; F22-I27 HydrophobicContact CG-CD1 4.38Å; N23-I27 PolarHBondContact O-N 3.42Å; N23-I27 VanDerWaalsContact O-N 3.14Å; I27-K29 PolarHBondContact O-N 3.44Å; I27-L30 HydrophobicContact CD1-CD1 4.43Å; I27-L30 PolarHBondContact O-N 3.37Å; I27-H31 PolarHBondContact O-N 3.01Å; I27-F88 HydrophobicContact CG2-CE1 4.44Å; I27-F88 HydrophobicContact CG2-CZ 4.28Å; I27-V92 HydrophobicContact CD1-CG1 3.91Å
28	L	93.3	Very high	92	Very high	65 Å²	65	59.2 Å²	59.2	34%	0.34	29%	0.292	S	S	.	.	H	α-helix	trans	-66.3	-36.2	176.6	-68.9	170.3	0	0	0	112.7	I7 F8 L13 K24 K25 D26 H31 S32	I7-L28 HydrophobicContact CB-CD2 4.3Å; I7-L28 HydrophobicContact CD1-CD2 4.07Å; F8-L28 HydrophobicContact CD2-CD2 3.98Å; F8-L28 HydrophobicContact CE2-CD2 4.35Å; L13-L28 HydrophobicContact CD2-CD2 4.45Å; K24-L28 VanDerWaalsContact O-CG 3.27Å; K24-L28 WeakPolarHBondContact O-CG 3.2Å; K24-L28 PolarHBondContact O-N 2.96Å; K24-L28 VanDerWaalsContact O-N 3.13Å; K25-L28 PolarHBondContact O-N 3Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.37Å; L28-H31 PolarHBondContact O-N 3.08Å; L28-S32 PolarHBondContact O-N 3.02Å
29	K	92.5	Very high	92.1	Very high	116 Å²	116	55.7 Å²	55.7	50%	0.504	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-44.4	173.3	-70.4	172.7	-168.1	159.2	0	111.1	K25 D26 I27 H31 S32 R33	K25-K29 WeakPolarHBondContact O-CG 3.42Å; K25-K29 PolarHBondContact O-N 2.68Å; D26-K29 WeakPolarHBondContact O-CB 3.43Å; D26-K29 PolarHBondContact O-N 3.06Å; D26-K29 VanDerWaalsContact O-N 3.16Å; D26-K29 IonicContact OD1-NZ 2.73Å; D26-K29 PolarHBondContact OD1-NZ 2.99Å; I27-K29 PolarHBondContact O-N 3.44Å; K29-H31 VanDerWaalsContact C-N 3.3Å; K29-H31 PolarHBondContact O-N 3.48Å; K29-S32 WeakPolarHBondContact O-CB 3.5Å; K29-S32 PolarHBondContact O-N 2.8Å; K29-R33 WeakPolarHBondContact O-CG 3.5Å; K29-R33 PolarHBondContact O-N 3.25Å
30	L	93.6	Very high	92.3	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-43.9	176.3	-75.9	172.4	0	0	0	111.1	F22 D26 I27 R33 F34 F88 F91 V92 F95 I187	F22-L30 HydrophobicContact CD2-CD1 3.68Å; F22-L30 HydrophobicContact CE2-CD1 3.61Å; F22-L30 HydrophobicContact CG-CD1 4.49Å; F22-L30 HydrophobicContact CZ-CD1 4.39Å; D26-L30 WeakPolarHBondContact O-CG 3.47Å; D26-L30 PolarHBondContact O-N 2.98Å; I27-L30 HydrophobicContact CD1-CD1 4.43Å; I27-L30 PolarHBondContact O-N 3.37Å; L30-R33 WeakPolarHBondContact O-CB 3.29Å; L30-R33 PolarHBondContact O-N 3.4Å; L30-F34 WeakPolarHBondContact O-CB 3.31Å; L30-F34 PolarHBondContact O-N 2.84Å; L30-F88 HydrophobicContact CB-CE2 4.17Å; L30-F88 HydrophobicContact CB-CZ 4.4Å; L30-F91 HydrophobicContact CB-CE1 4.49Å; L30-F91 HydrophobicContact CD2-CD1 4.28Å; L30-F91 HydrophobicContact CD2-CE1 3.93Å; L30-V92 HydrophobicContact CB-CG2 4.49Å; L30-V92 HydrophobicContact CD1-CB 4.48Å; L30-V92 HydrophobicContact CD1-CG1 4.43Å; L30-V92 HydrophobicContact CD1-CG2 4.03Å; L30-F95 HydrophobicContact CD1-CB 4.48Å; L30-F95 HydrophobicContact CD2-CB 3.96Å; L30-F95 HydrophobicContact CD2-CD2 3.54Å; L30-F95 HydrophobicContact CD2-CE2 4.25Å; L30-F95 HydrophobicContact CD2-CG 3.84Å; L30-I187 HydrophobicContact CD2-CD1 3.58Å; L30-I187 HydrophobicContact CG-CD1 4.5Å
31	H	94.4	Very high	92.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-43.8	175.5	177.3	-85.5	0	0	0	112.1	I7 F8 I27 L28 K29 R33 F34 Y35 P43 Y46 F88	I7-H31 VanDerWaalsContact CG2-CE1 3.46Å; I7-H31 WeakPolarHBondContact CG2-CE1 3.02Å; F8-H31 HydrophobicContact CE2-CB 3.78Å; F8-H31 AromaticContact CE2-CG 3.93Å; F8-H31 HydrophobicContact CZ-CB 3.98Å; F8-H31 AromaticContact CZ-CD2 3.69Å; F8-H31 AromaticContact CZ-CG 3.97Å; I27-H31 PolarHBondContact O-N 3.01Å; L28-H31 PolarHBondContact O-N 3.08Å; K29-H31 VanDerWaalsContact C-N 3.3Å; K29-H31 PolarHBondContact O-N 3.48Å; H31-R33 VanDerWaalsContact C-N 3.26Å; H31-R33 PolarHBondContact O-N 2.96Å; H31-F34 PolarHBondContact O-N 3.25Å; H31-Y35 WeakPolarHBondContact O-CB 3.39Å; H31-Y35 PolarHBondContact O-N 2.87Å; H31-P43 PolarHBondContact CE1-O 3.16Å; H31-P43 PolarHBondContact NE2-O 3.38Å; H31-P43 VanDerWaalsContact NE2-O 3.12Å; H31-Y46 AromaticContact CD2-CD2 3.62Å; H31-Y46 AromaticContact CD2-CE2 3.62Å; H31-Y46 AromaticContact NE2-CD2 3.16Å; H31-Y46 WeakPolarHBondContact NE2-CD2 3.31Å; H31-Y46 AromaticContact NE2-CE2 3.18Å; H31-Y46 WeakPolarHBondContact NE2-CE2 3.42Å; H31-F88 HydrophobicContact CB-CE2 3.76Å; H31-F88 HydrophobicContact CB-CZ 3.75Å
32	S	93.4	Very high	92.7	Very high	52 Å²	52	58.1 Å²	58.1	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-57	-42.4	175	-167.9	0	0	0	0	111.5	L28 K29 Y35 E36	L28-S32 PolarHBondContact O-N 3.02Å; K29-S32 WeakPolarHBondContact O-CB 3.5Å; K29-S32 PolarHBondContact O-N 2.8Å; S32-Y35 PolarHBondContact O-N 2.94Å; S32-E36 VanDerWaalsContact O-CG 3.28Å; S32-E36 WeakPolarHBondContact O-CG 3.33Å; S32-E36 PolarHBondContact O-N 2.9Å
33	R	92.3	Very high	92.8	Very high	100 Å²	100	59.1 Å²	59.1	38%	0.377	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-47.2	175.2	-70.4	-56.5	-162.4	-172.7	6.5	112.3	K29 L30 H31 Y35 E36 L37 F91	K29-R33 WeakPolarHBondContact O-CG 3.5Å; K29-R33 PolarHBondContact O-N 3.25Å; L30-R33 WeakPolarHBondContact O-CB 3.29Å; L30-R33 PolarHBondContact O-N 3.4Å; H31-R33 VanDerWaalsContact C-N 3.26Å; H31-R33 PolarHBondContact O-N 2.96Å; R33-Y35 PolarHBondContact O-N 2.95Å; R33-E36 WeakPolarHBondContact CD-OE2 3.32Å; R33-E36 IonicContact CZ-OE2 3.3Å; R33-E36 IonicContact NH1-OE2 2.84Å; R33-E36 PolarHBondContact NH1-OE2 3.23Å; R33-E36 WeakPolarHBondContact O-CB 3.41Å; R33-E36 PolarHBondContact O-N 3.49Å; R33-E36 VanDerWaalsContact O-N 3.09Å; R33-L37 WeakPolarHBondContact O-CG 2.94Å; R33-L37 PolarHBondContact O-N 2.81Å; R33-F91 HydrophobicContact CB-CE1 4.42Å; R33-F91 HydrophobicContact CB-CZ 4.41Å
34	F	94.5	Very high	92.7	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-39.7	178.2	-163.9	-111.6	0	0	0	111.2	L30 H31 L37 A38 V42 V54 L86 F88 F91	L30-F34 WeakPolarHBondContact O-CB 3.31Å; L30-F34 PolarHBondContact O-N 2.84Å; H31-F34 PolarHBondContact O-N 3.25Å; F34-L37 PolarHBondContact O-N 3.2Å; F34-A38 PolarHBondContact O-N 2.75Å; F34-V42 HydrophobicContact CD1-CB 4.33Å; F34-V42 HydrophobicContact CD1-CG1 3.73Å; F34-V42 HydrophobicContact CD1-CG2 3.56Å; F34-V42 HydrophobicContact CE1-CG1 4.35Å; F34-V42 HydrophobicContact CE1-CG2 3.63Å; F34-V42 HydrophobicContact CG-CG2 4.41Å; F34-V54 HydrophobicContact CD1-CG2 4.29Å; F34-V54 HydrophobicContact CD2-CG2 4.19Å; F34-V54 HydrophobicContact CE1-CG2 3.64Å; F34-V54 HydrophobicContact CE2-CB 3.76Å; F34-V54 HydrophobicContact CE2-CG2 3.54Å; F34-V54 HydrophobicContact CZ-CB 3.79Å; F34-V54 HydrophobicContact CZ-CG2 3.23Å; F34-L86 WeakPolarHBondContact CZ-O 3.49Å; F34-F88 HydrophobicContact CB-CD2 3.91Å; F34-F88 HydrophobicContact CB-CE2 4.3Å; F34-F88 HydrophobicContact CD1-CB 4Å; F34-F88 AromaticContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CG 4.36Å; F34-F88 HydrophobicContact CE1-CB 3.84Å; F34-F88 AromaticContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CZ-CB 4.33Å; F34-F91 HydrophobicContact CB-CD1 4.22Å; F34-F91 HydrophobicContact CB-CE1 4.13Å; F34-F91 HydrophobicContact CD2-CB 3.87Å; F34-F91 AromaticContact CD2-CD1 3.86Å; F34-F91 HydrophobicContact CD2-CD1 3.86Å; F34-F91 AromaticContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CE1 4.22Å; F34-F91 HydrophobicContact CD2-CE2 4.09Å; F34-F91 AromaticContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CZ 4.31Å; F34-F91 HydrophobicContact CE2-CB 3.89Å; F34-F91 HydrophobicContact CE2-CD2 4.09Å; F34-F91 HydrophobicContact CE2-CG 4.02Å; F34-F91 HydrophobicContact CG-CD1 4.39Å; F34-F91 HydrophobicContact CG-CG 4.49Å
35	Y	94.3	Very high	92.7	Very high	71 Å²	71	59.4 Å²	59.4	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-45.9	172.1	180	-95.2	0	0	0	113	H31 S32 R33 L37 A38 P39 V42 M44	H31-Y35 WeakPolarHBondContact O-CB 3.39Å; H31-Y35 PolarHBondContact O-N 2.87Å; S32-Y35 PolarHBondContact O-N 2.94Å; R33-Y35 PolarHBondContact O-N 2.95Å; Y35-L37 PolarHBondContact O-N 3.09Å; Y35-A38 CarbonylContact O-C 3.22Å; Y35-A38 PolarHBondContact O-N 3.02Å; Y35-P39 HydrophobicContact CD1-CB 4.5Å; Y35-P39 HydrophobicContact CE1-CB 3.92Å; Y35-P39 HydrophobicContact CE1-CG 4.44Å; Y35-P39 HydrophobicContact CE2-CB 4.3Å; Y35-P39 VanDerWaalsContact O-CA 3.29Å; Y35-P39 WeakPolarHBondContact O-CA 3.32Å; Y35-P39 VanDerWaalsContact O-CD 3.23Å; Y35-P39 WeakPolarHBondContact O-CD 3.24Å; Y35-P39 VanDerWaalsContact O-CG 3.32Å; Y35-P39 WeakPolarHBondContact O-CG 3.42Å; Y35-V42 HydrophobicContact CD2-CB 4.12Å; Y35-V42 HydrophobicContact CD2-CG1 4.1Å; Y35-V42 WeakPolarHBondContact CD2-O 3.43Å; Y35-V42 WeakPolarHBondContact CE2-O 3.34Å; Y35-M44 HydrophobicContact CD1-CE 3.11Å; Y35-M44 HydrophobicContact CD2-CE 3.31Å; Y35-M44 HydrophobicContact CD2-CG 4.32Å; Y35-M44 HydrophobicContact CE1-CE 3.35Å; Y35-M44 HydrophobicContact CE2-CE 3.56Å; Y35-M44 HydrophobicContact CE2-CG 3.98Å; Y35-M44 HydrophobicContact CG-CE 3.08Å
36	E	93.4	Very high	92.8	Very high	105 Å²	105	52.2 Å²	52.2	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-32.1	178.1	-77.8	168.5	-168	0	0	112.5	S32 R33	S32-E36 VanDerWaalsContact O-CG 3.28Å; S32-E36 WeakPolarHBondContact O-CG 3.33Å; S32-E36 PolarHBondContact O-N 2.9Å; R33-E36 WeakPolarHBondContact CD-OE2 3.32Å; R33-E36 IonicContact CZ-OE2 3.3Å; R33-E36 IonicContact NH1-OE2 2.84Å; R33-E36 PolarHBondContact NH1-OE2 3.23Å; R33-E36 WeakPolarHBondContact O-CB 3.41Å; R33-E36 PolarHBondContact O-N 3.49Å; R33-E36 VanDerWaalsContact O-N 3.09Å
37	L	93.2	Very high	92.7	Very high	37 Å²	37	56.4 Å²	56.4	19%	0.194	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-43.6	176.2	-67.9	171.6	0	0	0	112.6	R33 F34 Y35 V54 I59 M62 F91	R33-L37 WeakPolarHBondContact O-CG 2.94Å; R33-L37 PolarHBondContact O-N 2.81Å; F34-L37 PolarHBondContact O-N 3.2Å; Y35-L37 PolarHBondContact O-N 3.09Å; L37-V54 HydrophobicContact CB-CG1 4.25Å; L37-I59 HydrophobicContact CD1-CG1 4.34Å; L37-M62 HydrophobicContact CD1-CG 4.1Å; L37-M62 HydrophobicContact CD1-SD 3.67Å; L37-M62 HydrophobicContact CD2-CG 3.56Å; L37-M62 HydrophobicContact CD2-SD 4.27Å; L37-M62 HydrophobicContact CG-CG 4.36Å; L37-M62 HydrophobicContact CG-SD 4.47Å; L37-F91 HydrophobicContact CD1-CE2 3.85Å; L37-F91 HydrophobicContact CD1-CZ 4.09Å
38	A	93.6	Very high	92.6	Very high	6 Å²	6	65.4 Å²	65.4	5%	0.05	32%	0.317	C	S	.	.			trans	-140.6	72.9	-177.9	0	0	0	0	0	112.4	F34 Y35 N40 L41 V42 V54 L58	F34-A38 PolarHBondContact O-N 2.75Å; Y35-A38 CarbonylContact O-C 3.22Å; Y35-A38 PolarHBondContact O-N 3.02Å; A38-N40 PolarHBondContact O-N 3.22Å; A38-L41 HydrophobicContact CB-CB 4Å; A38-L41 HydrophobicContact CB-CD1 4.07Å; A38-L41 HydrophobicContact CB-CG 4.25Å; A38-L41 PolarHBondContact O-N 3.23Å; A38-V42 HydrophobicContact CB-CG2 4.24Å; A38-V42 PolarHBondContact O-N 2.96Å; A38-V54 HydrophobicContact CB-CG1 4.27Å; A38-V54 HydrophobicContact CB-CG2 4.01Å; A38-L58 HydrophobicContact CB-CD1 4.03Å
39	P	92.3	Very high	92.3	Very high	58 Å²	58	66 Å²	66	38%	0.377	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.1	-174.7	-24.7	33.8	0	0	0	114.4	Y35	Y35-P39 HydrophobicContact CD1-CB 4.5Å; Y35-P39 HydrophobicContact CE1-CB 3.92Å; Y35-P39 HydrophobicContact CE1-CG 4.44Å; Y35-P39 HydrophobicContact CE2-CB 4.3Å; Y35-P39 VanDerWaalsContact O-CA 3.29Å; Y35-P39 WeakPolarHBondContact O-CA 3.32Å; Y35-P39 VanDerWaalsContact O-CD 3.23Å; Y35-P39 WeakPolarHBondContact O-CD 3.24Å; Y35-P39 VanDerWaalsContact O-CG 3.32Å; Y35-P39 WeakPolarHBondContact O-CG 3.42Å
40	N	91.7	Very high	92.2	Very high	163 Å²	163	62.5 Å²	62.5	87%	0.872	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.1	179.1	-62.6	-37.1	0	0	0	113.3	A38	A38-N40 PolarHBondContact O-N 3.22Å
41	L	92.2	Very high	92	Very high	94 Å²	94	68.8 Å²	68.8	49%	0.492	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-42.6	-178.3	-62	178.8	0	0	0	111.2	A38 P43 V52	A38-L41 HydrophobicContact CB-CB 4Å; A38-L41 HydrophobicContact CB-CD1 4.07Å; A38-L41 HydrophobicContact CB-CG 4.25Å; A38-L41 PolarHBondContact O-N 3.23Å; L41-P43 WeakPolarHBondContact O-CD 3.46Å; L41-V52 HydrophobicContact CB-CG1 3.92Å; L41-V52 WeakPolarHBondContact O-CG1 3.3Å
42	V	93.1	Very high	92	Very high	3 Å²	3	69.9 Å²	69.9	2%	0.018	36%	0.355	C	S	.	.	S	Bend	trans	-84.9	119.9	-173.5	177.8	0	0	0	0	109.6	F34 Y35 A38 Y46 V52 V54	F34-V42 HydrophobicContact CD1-CB 4.33Å; F34-V42 HydrophobicContact CD1-CG1 3.73Å; F34-V42 HydrophobicContact CD1-CG2 3.56Å; F34-V42 HydrophobicContact CE1-CG1 4.35Å; F34-V42 HydrophobicContact CE1-CG2 3.63Å; F34-V42 HydrophobicContact CG-CG2 4.41Å; Y35-V42 HydrophobicContact CD2-CB 4.12Å; Y35-V42 HydrophobicContact CD2-CG1 4.1Å; Y35-V42 WeakPolarHBondContact CD2-O 3.43Å; Y35-V42 WeakPolarHBondContact CE2-O 3.34Å; A38-V42 HydrophobicContact CB-CG2 4.24Å; A38-V42 PolarHBondContact O-N 2.96Å; V42-Y46 HydrophobicContact CG1-CE2 3.87Å; V42-V52 HydrophobicContact CG2-CG1 4.09Å; V42-V54 HydrophobicContact CG2-CG2 3.64Å
43	P	91.4	Very high	92	Very high	43 Å²	43	71.3 Å²	71.3	28%	0.279	36%	0.356	S	S	.	.			trans	-77	150.6	176.6	29	-33.2	0	0	0	111.7	H31 L41 D45 Y46 P50 V52	H31-P43 PolarHBondContact CE1-O 3.16Å; H31-P43 PolarHBondContact NE2-O 3.38Å; H31-P43 VanDerWaalsContact NE2-O 3.12Å; L41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-D45 PolarHBondContact O-N 3.05Å; P43-Y46 HydrophobicContact CG-CD2 4.02Å; P43-Y46 HydrophobicContact CG-CE2 3.68Å; P43-Y46 VanDerWaalsContact O-CD2 3.28Å; P43-Y46 WeakPolarHBondContact O-CD2 3.2Å; P43-Y46 WeakPolarHBondContact O-CE2 3.39Å; P43-P50 HydrophobicContact CG-CB 4.11Å; P43-P50 HydrophobicContact CG-CG 3.51Å; P43-V52 HydrophobicContact CG-CG2 4.44Å
44	M	90.3	Very high	92.1	Very high	70 Å²	70	66.6 Å²	66.6	35%	0.345	34%	0.338	S	S	.	.	S	Bend	trans	-72.2	-16.8	169.6	-80.7	-80.5	141.3	0	0	113.3	I7 Y35	I7-M44 WeakPolarHBondContact CA-O 3.2Å; I7-M44 WeakPolarHBondContact CG2-O 3.38Å; Y35-M44 HydrophobicContact CD1-CE 3.11Å; Y35-M44 HydrophobicContact CD2-CE 3.31Å; Y35-M44 HydrophobicContact CD2-CG 4.32Å; Y35-M44 HydrophobicContact CE1-CE 3.35Å; Y35-M44 HydrophobicContact CE2-CE 3.56Å; Y35-M44 HydrophobicContact CE2-CG 3.98Å; Y35-M44 HydrophobicContact CG-CE 3.08Å
45	D	91.7	Very high	92.1	Very high	63 Å²	63	68.5 Å²	68.5	34%	0.337	35%	0.351	S	S	.	.			trans	-115	108.7	-179.4	-176.2	1.7	0	0	0	109.9	P43 R47	P43-D45 PolarHBondContact O-N 3.05Å; D45-R47 VanDerWaalsContact OD1-CB 3.26Å; D45-R47 WeakPolarHBondContact OD1-CB 3.29Å; D45-R47 VanDerWaalsContact OD1-CG 3.25Å; D45-R47 WeakPolarHBondContact OD1-CG 3.45Å; D45-R47 IonicContact OD1-CZ 3.87Å; D45-R47 PolarHBondContact OD1-N 2.94Å; D45-R47 IonicContact OD1-NE 3.84Å; D45-R47 PolarHBondContact OD1-NE 3.38Å; D45-R47 IonicContact OD1-NH2 3.76Å; D45-R47 IonicContact OD2-CZ 2.86Å; D45-R47 IonicContact OD2-NE 2.72Å; D45-R47 PolarHBondContact OD2-NE 3.03Å; D45-R47 IonicContact OD2-NH2 2.69Å; D45-R47 PolarHBondContact OD2-NH2 2.83Å
46	Y	92.6	Very high	92.1	Very high	6 Å²	6	66.9 Å²	66.9	2%	0.024	35%	0.346	C	S	.	.			trans	-102.2	6	178.1	-94.4	-111.7	0	0	0	113	I7 F8 Q12 H31 V42 P43 K48 S49 P50 F88	I7-Y46 CarbonylContact O-C 3.56Å; I7-Y46 WeakPolarHBondContact O-CA 3.48Å; I7-Y46 PolarHBondContact O-N 2.76Å; F8-Y46 HydrophobicContact CD1-CG 4.46Å; F8-Y46 AromaticContact CE1-CD1 3.82Å; F8-Y46 HydrophobicContact CE1-CD1 3.82Å; F8-Y46 AromaticContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CE1-CG 3.72Å; F8-Y46 HydrophobicContact CZ-CD1 4.36Å; F8-Y46 HydrophobicContact CZ-CG 4.14Å; Q12-Y46 PolarHBondContact NE2-O 3.47Å; H31-Y46 AromaticContact CD2-CD2 3.62Å; H31-Y46 AromaticContact CD2-CE2 3.62Å; H31-Y46 AromaticContact NE2-CD2 3.16Å; H31-Y46 WeakPolarHBondContact NE2-CD2 3.31Å; H31-Y46 AromaticContact NE2-CE2 3.18Å; H31-Y46 WeakPolarHBondContact NE2-CE2 3.42Å; V42-Y46 HydrophobicContact CG1-CE2 3.87Å; P43-Y46 HydrophobicContact CG-CD2 4.02Å; P43-Y46 HydrophobicContact CG-CE2 3.68Å; P43-Y46 VanDerWaalsContact O-CD2 3.28Å; P43-Y46 WeakPolarHBondContact O-CD2 3.2Å; P43-Y46 WeakPolarHBondContact O-CE2 3.39Å; Y46-K48 PolarHBondContact O-N 3.09Å; Y46-S49 WeakPolarHBondContact O-CA 3.29Å; Y46-S49 PolarHBondContact O-N 3.01Å; Y46-P50 HydrophobicContact CD1-CG 4Å; Y46-P50 HydrophobicContact CD2-CG 4.14Å; Y46-P50 HydrophobicContact CE1-CG 4.12Å; Y46-P50 HydrophobicContact CE2-CG 4.26Å; Y46-P50 HydrophobicContact CG-CG 4.02Å; Y46-F88 HydrophobicContact CD1-CD1 4.37Å; Y46-F88 HydrophobicContact CE1-CB 3.67Å; Y46-F88 HydrophobicContact CE1-CD1 4.17Å; Y46-F88 HydrophobicContact CE1-CG 4.06Å
47	R	90.1	Very high	92.1	Very high	129 Å²	129	65 Å²	65	49%	0.487	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	-178.4	-64	175.8	-64.9	171.6	0.5	114.1	I7 T9 D45	I7-R47 PolarHBondContact O-N 3.23Å; T9-R47 HydrophobicContact CG2-CB 3.97Å; T9-R47 HydrophobicContact CG2-CG 3.87Å; D45-R47 VanDerWaalsContact OD1-CB 3.26Å; D45-R47 WeakPolarHBondContact OD1-CB 3.29Å; D45-R47 VanDerWaalsContact OD1-CG 3.25Å; D45-R47 WeakPolarHBondContact OD1-CG 3.45Å; D45-R47 IonicContact OD1-CZ 3.87Å; D45-R47 PolarHBondContact OD1-N 2.94Å; D45-R47 IonicContact OD1-NE 3.84Å; D45-R47 PolarHBondContact OD1-NE 3.38Å; D45-R47 IonicContact OD1-NH2 3.76Å; D45-R47 IonicContact OD2-CZ 2.86Å; D45-R47 IonicContact OD2-NE 2.72Å; D45-R47 PolarHBondContact OD2-NE 3.03Å; D45-R47 IonicContact OD2-NH2 2.69Å; D45-R47 PolarHBondContact OD2-NH2 2.83Å
48	K	90.1	Very high	92.2	Very high	189 Å²	189	65.9 Å²	65.9	82%	0.822	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	8.6	173.7	-65.8	-172.4	177.9	-178.8	0	113.5	Y46	Y46-K48 PolarHBondContact O-N 3.09Å
49	S	87.6	Confident	92.2	Very high	79 Å²	79	65.6 Å²	65.6	55%	0.552	35%	0.347	S	S	*	.			trans	46.7	57.9	-175.2	-57.3	0	0	0	0	112.9	Q12 Y46 I51	Q12-S49 PolarHBondContact NE2-OG 3.28Å; Y46-S49 WeakPolarHBondContact O-CA 3.29Å; Y46-S49 PolarHBondContact O-N 3.01Å; S49-I51 PolarHBondContact O-N 3.18Å
50	P	90.3	Very high	92.2	Very high	41 Å²	41	64.1 Å²	64.1	27%	0.266	34%	0.336	S	S	.	.			trans	-65	134.8	178.4	29.8	-33.3	0	0	0	110.1	P43 Y46 V52	P43-P50 HydrophobicContact CG-CB 4.11Å; P43-P50 HydrophobicContact CG-CG 3.51Å; Y46-P50 HydrophobicContact CD1-CG 4Å; Y46-P50 HydrophobicContact CD2-CG 4.14Å; Y46-P50 HydrophobicContact CE1-CG 4.12Å; Y46-P50 HydrophobicContact CE2-CG 4.26Å; Y46-P50 HydrophobicContact CG-CG 4.02Å; P50-V52 HydrophobicContact CB-CG2 4.34Å
51	I	90.1	Very high	92.3	Very high	136 Å²	136	62.6 Å²	62.6	70%	0.697	32%	0.323	S	S	*	.			trans	-89.1	111.3	172.4	-56.5	175.8	0	0	0	107.4	S49 T87	S49-I51 PolarHBondContact O-N 3.18Å; I51-T87 HydrophobicContact CG2-CG2 4.09Å
52	V	92.8	Very high	92.3	Very high	22 Å²	22	58.4 Å²	58.4	13%	0.133	30%	0.301	C	S	.	.			trans	-126.3	125.4	179.3	179.4	0	0	0	0	108	L41 V42 P43 P50 T87	L41-V52 HydrophobicContact CB-CG1 3.92Å; L41-V52 WeakPolarHBondContact O-CG1 3.3Å; V42-V52 HydrophobicContact CG2-CG1 4.09Å; P43-V52 HydrophobicContact CG-CG2 4.44Å; P50-V52 HydrophobicContact CB-CG2 4.34Å; V52-T87 WeakPolarHBondContact O-CA 3.41Å
53	H	94	Very high	92.2	Very high	83 Å²	83	62.7 Å²	62.7	38%	0.384	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-97.1	120.3	176	-63.3	83.3	0	0	0	108.7	D81 N85	H53-D81 IonicContact CD2-OD2 3.73Å; H53-N85 HydrophobicContact CB-CB 3.89Å
54	V	94.8	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-93.5	126.5	171.6	174.1	0	0	0	0	108.1	F34 L37 A38 V42 L58 I59 N85 L86	F34-V54 HydrophobicContact CD1-CG2 4.29Å; F34-V54 HydrophobicContact CD2-CG2 4.19Å; F34-V54 HydrophobicContact CE1-CG2 3.64Å; F34-V54 HydrophobicContact CE2-CB 3.76Å; F34-V54 HydrophobicContact CE2-CG2 3.54Å; F34-V54 HydrophobicContact CZ-CB 3.79Å; F34-V54 HydrophobicContact CZ-CG2 3.23Å; L37-V54 HydrophobicContact CB-CG1 4.25Å; A38-V54 HydrophobicContact CB-CG1 4.27Å; A38-V54 HydrophobicContact CB-CG2 4.01Å; V42-V54 HydrophobicContact CG2-CG2 3.64Å; V54-L58 HydrophobicContact CG1-CB 4.12Å; V54-L58 HydrophobicContact CG1-CD1 4.22Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG1-CD1 4.23Å; V54-I59 HydrophobicContact CG1-CG1 3.88Å; V54-I59 WeakPolarHBondContact O-CD1 3.23Å; V54-N85 WeakPolarHBondContact O-CA 3.3Å; V54-N85 WeakPolarHBondContact O-CB 3.24Å; V54-L86 PolarHBondContact N-O 2.79Å; V54-L86 PolarHBondContact O-N 3.06Å; V54-L86 VanDerWaalsContact O-N 3.11Å
55	P	94.6	Very high	92	Very high	41 Å²	41	59.1 Å²	59.1	27%	0.266	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-56.9	139.8	-179.5	-28.2	34.2	0	0	0	114	S57 L58 I59 N85	P55-S57 PolarHBondContact O-N 3.11Å; P55-S57 VanDerWaalsContact O-N 3.09Å; P55-L58 HydrophobicContact CG-CD1 4.47Å; P55-L58 PolarHBondContact O-N 2.86Å; P55-I59 PolarHBondContact O-N 3.2Å; P55-N85 WeakPolarHBondContact CA-OD1 3.43Å
56	M	94.3	Very high	91.9	Very high	36 Å²	36	62.4 Å²	62.4	18%	0.177	32%	0.315	C	S	.	.	H	α-helix	trans	-46.9	-43.2	174.1	-178.6	176.6	-83	0	0	111.8	L58 I59 I60 E72 V75 A76 G84	M56-L58 PolarHBondContact O-N 3.37Å; M56-L58 VanDerWaalsContact O-N 3.09Å; M56-I59 PolarHBondContact O-N 3.32Å; M56-I60 HydrophobicContact CG-CG2 3.78Å; M56-I60 WeakPolarHBondContact O-CG1 3.25Å; M56-I60 PolarHBondContact O-N 3.45Å; M56-E72 WeakPolarHBondContact CE-O 3.02Å; M56-E72 HydrophobicContact SD-CB 4.12Å; M56-E72 HydrophobicContact SD-CG 4.3Å; M56-V75 HydrophobicContact CB-CG1 4.31Å; M56-V75 HydrophobicContact CE-CB 3.91Å; M56-V75 HydrophobicContact CE-CG1 3.84Å; M56-V75 HydrophobicContact CG-CB 4.22Å; M56-V75 HydrophobicContact CG-CG1 3.89Å; M56-A76 HydrophobicContact CE-CB 3.88Å; M56-G84 VanDerWaalsContact CB-O 3.27Å; M56-G84 WeakPolarHBondContact CB-O 3.25Å
57	S	93.6	Very high	91.7	Very high	67 Å²	67	69.1 Å²	69.1	47%	0.469	35%	0.347	S	S	.	.	H	α-helix	trans	-57.7	-25.4	-177.1	61	0	0	0	0	113.7	P55 Q61	P55-S57 PolarHBondContact O-N 3.11Å; P55-S57 VanDerWaalsContact O-N 3.09Å; S57-Q61 WeakPolarHBondContact O-CG 3.49Å; S57-Q61 PolarHBondContact O-NE2 3.24Å
58	L	94.4	Very high	91.7	Very high	55 Å²	55	65.2 Å²	65.2	29%	0.288	34%	0.336	S	S	.	.	H	α-helix	trans	-85.3	-40.6	174.1	-61.7	177.2	0	0	0	111.4	A38 V54 P55 M56 Q61	A38-L58 HydrophobicContact CB-CD1 4.03Å; V54-L58 HydrophobicContact CG1-CB 4.12Å; V54-L58 HydrophobicContact CG1-CD1 4.22Å; P55-L58 HydrophobicContact CG-CD1 4.47Å; P55-L58 PolarHBondContact O-N 2.86Å; M56-L58 PolarHBondContact O-N 3.37Å; M56-L58 VanDerWaalsContact O-N 3.09Å; L58-Q61 WeakPolarHBondContact O-CB 3.48Å; L58-Q61 PolarHBondContact O-N 3.01Å
59	I	94	Very high	91.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-43.2	-176.7	-56.6	172.1	0	0	0	110.7	L37 V54 P55 M56 Q61 M62 L65 V75 L86 F91 M94	L37-I59 HydrophobicContact CD1-CG1 4.34Å; V54-I59 HydrophobicContact CB-CD1 4.35Å; V54-I59 HydrophobicContact CG1-CD1 4.23Å; V54-I59 HydrophobicContact CG1-CG1 3.88Å; V54-I59 WeakPolarHBondContact O-CD1 3.23Å; P55-I59 PolarHBondContact O-N 3.2Å; M56-I59 PolarHBondContact O-N 3.32Å; I59-Q61 PolarHBondContact O-N 2.82Å; I59-Q61 VanDerWaalsContact O-N 3.11Å; I59-M62 HydrophobicContact CG2-SD 4.15Å; I59-M62 WeakPolarHBondContact O-CB 3.42Å; I59-M62 WeakPolarHBondContact O-CG 3.5Å; I59-M62 PolarHBondContact O-N 3.48Å; I59-M62 VanDerWaalsContact O-N 3.08Å; I59-L65 HydrophobicContact CG2-CD1 3.94Å; I59-V75 HydrophobicContact CB-CG1 4.42Å; I59-V75 HydrophobicContact CB-CG2 4.21Å; I59-V75 HydrophobicContact CD1-CG1 4.21Å; I59-V75 HydrophobicContact CG2-CG1 4.31Å; I59-V75 HydrophobicContact CG2-CG2 3.59Å; I59-L86 HydrophobicContact CD1-CB 3.5Å; I59-L86 HydrophobicContact CD1-CD1 3.79Å; I59-L86 HydrophobicContact CD1-CG 3.47Å; I59-L86 VanDerWaalsContact CD1-CG 3.47Å; I59-L86 HydrophobicContact CG2-CD1 4.34Å; I59-F91 HydrophobicContact CG2-CE2 4.41Å; I59-M94 HydrophobicContact CG2-CE 4.31Å
60	I	93.5	Very high	91.8	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.138	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.5	178.1	68.2	176.1	0	0	0	113.6	M56 R66 K71 E72 V75	M56-I60 HydrophobicContact CG-CG2 3.78Å; M56-I60 WeakPolarHBondContact O-CG1 3.25Å; M56-I60 PolarHBondContact O-N 3.45Å; I60-R66 WeakPolarHBondContact O-CA 3.48Å; I60-K71 HydrophobicContact CB-CB 4.3Å; I60-K71 HydrophobicContact CB-CD 4.02Å; I60-K71 HydrophobicContact CB-CG 4Å; I60-K71 HydrophobicContact CG2-CB 4.22Å; I60-K71 HydrophobicContact CG2-CG 4.12Å; I60-E72 HydrophobicContact CD1-CG 4.24Å; I60-E72 HydrophobicContact CG2-CG 4.42Å; I60-V75 HydrophobicContact CG2-CB 4.47Å; I60-V75 HydrophobicContact CG2-CG2 3.89Å
61	Q	92.4	Very high	91.9	Very high	130 Å²	130	56.3 Å²	56.3	61%	0.607	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.8	175.3	-71.4	-177.9	62.2	0	0	112.9	S57 L58 I59	S57-Q61 WeakPolarHBondContact O-CG 3.49Å; S57-Q61 PolarHBondContact O-NE2 3.24Å; L58-Q61 WeakPolarHBondContact O-CB 3.48Å; L58-Q61 PolarHBondContact O-N 3.01Å; I59-Q61 PolarHBondContact O-N 2.82Å; I59-Q61 VanDerWaalsContact O-N 3.11Å
62	M	92.5	Very high	92	Very high	7 Å²	7	53.3 Å²	53.3	3%	0.034	27%	0.272	C	S	.	.	S	Bend	trans	-55.3	138.9	174.8	-74.6	-179.6	73.9	0	0	111.2	L37 I59 E64 L65 R66 F91 F95	L37-M62 HydrophobicContact CD1-CG 4.1Å; L37-M62 HydrophobicContact CD1-SD 3.67Å; L37-M62 HydrophobicContact CD2-CG 3.56Å; L37-M62 HydrophobicContact CD2-SD 4.27Å; L37-M62 HydrophobicContact CG-CG 4.36Å; L37-M62 HydrophobicContact CG-SD 4.47Å; I59-M62 HydrophobicContact CG2-SD 4.15Å; I59-M62 WeakPolarHBondContact O-CB 3.42Å; I59-M62 WeakPolarHBondContact O-CG 3.5Å; I59-M62 PolarHBondContact O-N 3.48Å; I59-M62 VanDerWaalsContact O-N 3.08Å; M62-E64 WeakPolarHBondContact CB-OE2 2.79Å; M62-E64 PolarHBondContact O-N 3.46Å; M62-L65 PolarHBondContact O-N 3.48Å; M62-R66 VanDerWaalsContact O-CB 3.31Å; M62-R66 WeakPolarHBondContact O-CB 3.23Å; M62-R66 PolarHBondContact O-N 3.46Å; M62-F91 HydrophobicContact CE-CE2 4.08Å; M62-F91 HydrophobicContact CE-CZ 3.68Å; M62-F91 HydrophobicContact SD-CE2 3.58Å; M62-F91 VanDerWaalsContact SD-CE2 3.58Å; M62-F91 HydrophobicContact SD-CZ 3.81Å; M62-F95 HydrophobicContact CE-CE2 4.01Å; M62-F95 HydrophobicContact CE-CZ 3.68Å; M62-F95 HydrophobicContact SD-CZ 4.42Å
63	P	90.2	Very high	91.9	Very high	93 Å²	93	54.8 Å²	54.8	60%	0.604	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-34.6	174.8	-28.3	34.7	0	0	0	114.1	L65	P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 2.89Å
64	E	87.7	Confident	91.8	Very high	38 Å²	38	51.1 Å²	51.1	18%	0.178	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.1	-179.2	-63.5	85.8	170.4	0	0	113.4	M62 F95 I185	M62-E64 WeakPolarHBondContact CB-OE2 2.79Å; M62-E64 PolarHBondContact O-N 3.46Å; E64-F95 HydrophobicContact CB-CE1 4.49Å; E64-I185 HydrophobicContact CB-CG2 3.66Å; E64-I185 HydrophobicContact CG-CG2 4.13Å
65	L	90	Very high	91.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-26	-174.4	-72.2	173.7	0	0	0	113.9	I59 M62 P63 E67 N68 K71 I74 V75 M94 I185	I59-L65 HydrophobicContact CG2-CD1 3.94Å; M62-L65 PolarHBondContact O-N 3.48Å; P63-L65 VanDerWaalsContact C-N 3.32Å; P63-L65 PolarHBondContact O-N 2.89Å; L65-E67 PolarHBondContact O-N 3.33Å; L65-E67 VanDerWaalsContact O-N 3.08Å; L65-N68 VanDerWaalsContact O-CB 3.25Å; L65-N68 WeakPolarHBondContact O-CB 3.34Å; L65-N68 PolarHBondContact O-N 3.48Å; L65-K71 HydrophobicContact CB-CB 4.13Å; L65-K71 VanDerWaalsContact O-CB 3.28Å; L65-K71 WeakPolarHBondContact O-CB 3.44Å; L65-K71 WeakPolarHBondContact O-CD 3.42Å; L65-I74 HydrophobicContact CD2-CB 4.45Å; L65-I74 HydrophobicContact CD2-CD1 4.03Å; L65-I74 HydrophobicContact CD2-CG2 4.05Å; L65-V75 HydrophobicContact CD1-CG2 3.9Å; L65-M94 HydrophobicContact CD1-CE 4.17Å; L65-M94 HydrophobicContact CD1-SD 4.31Å; L65-I185 HydrophobicContact CD2-CD1 3.39Å; L65-I185 HydrophobicContact CG-CD1 4.25Å
66	R	90.2	Very high	91.6	Very high	131 Å²	131	51.1 Å²	51.1	49%	0.494	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.5	-165.1	71	177.6	-157	-161.8	-4.8	115.1	I60 M62 K71	I60-R66 WeakPolarHBondContact O-CA 3.48Å; M62-R66 VanDerWaalsContact O-CB 3.31Å; M62-R66 WeakPolarHBondContact O-CB 3.23Å; M62-R66 PolarHBondContact O-N 3.46Å; R66-K71 PolarHBondContact O-NZ 3.34Å
67	E	89	Confident	91.4	Very high	147 Å²	147	50.6 Å²	50.6	69%	0.687	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-8	178.2	-53.9	-55.7	146.5	0	0	112.6	L65	L65-E67 PolarHBondContact O-N 3.33Å; L65-E67 VanDerWaalsContact O-N 3.08Å
68	N	89.1	Confident	91.4	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	24%	0.243	S	C	.	.			trans	-77.6	123.5	-179.3	-168.8	-42.9	0	0	0	109.6	L65 F70 K71 I74	L65-N68 VanDerWaalsContact O-CB 3.25Å; L65-N68 WeakPolarHBondContact O-CB 3.34Å; L65-N68 PolarHBondContact O-N 3.48Å; N68-F70 PolarHBondContact O-N 2.9Å; N68-F70 WeakPolarHBondContact OD1-CB 3.4Å; N68-F70 PolarHBondContact OD1-N 3.17Å; N68-K71 HydrophobicContact CB-CB 4.36Å; N68-K71 WeakPolarHBondContact O-CB 3.29Å; N68-K71 WeakPolarHBondContact O-CD 3.38Å; N68-K71 WeakPolarHBondContact O-CG 3.36Å; N68-K71 PolarHBondContact O-N 3.16Å; N68-K71 VanDerWaalsContact O-N 3.15Å; N68-I74 WeakPolarHBondContact ND2-CD1 3.4Å
69	P	88.9	Confident	91.3	Very high	57 Å²	57	46 Å²	46	37%	0.37	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	-179.5	27.8	-34.9	0	0	0	113.6	R134	P69-R134 HydrophobicContact CB-CB 4.25Å; P69-R134 WeakPolarHBondContact CB-O 3.38Å; P69-R134 WeakPolarHBondContact O-CD 3.47Å
70	F	91.6	Very high	91	Very high	14 Å²	14	54.2 Å²	54.2	6%	0.061	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	11.3	177.1	-59.2	-81.9	0	0	0	113.1	N68 E72 R73 I74 I114 Y115 F117 T131 R134 L135	N68-F70 PolarHBondContact O-N 2.9Å; N68-F70 WeakPolarHBondContact OD1-CB 3.4Å; N68-F70 PolarHBondContact OD1-N 3.17Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 3.35Å; F70-R73 HydrophobicContact CB-CB 4.47Å; F70-R73 CarbonylContact O-C 3.57Å; F70-R73 WeakPolarHBondContact O-CA 3.47Å; F70-R73 WeakPolarHBondContact O-CB 3.22Å; F70-R73 PolarHBondContact O-N 3.06Å; F70-I74 HydrophobicContact CB-CD1 4.2Å; F70-I74 HydrophobicContact CB-CG1 4.26Å; F70-I74 WeakPolarHBondContact O-CG1 3.04Å; F70-I74 PolarHBondContact O-N 3.12Å; F70-I114 HydrophobicContact CB-CG2 4.19Å; F70-I114 HydrophobicContact CD1-CG2 4.34Å; F70-I114 HydrophobicContact CG-CG2 4.45Å; F70-Y115 HydrophobicContact CD1-CE1 4.45Å; F70-Y115 HydrophobicContact CE1-CD1 4.22Å; F70-Y115 AromaticContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE2-CE1 4.46Å; F70-Y115 AromaticContact CZ-CE1 3.84Å; F70-Y115 HydrophobicContact CZ-CE1 3.84Å; F70-F117 HydrophobicContact CE1-CZ 4.47Å; F70-T131 HydrophobicContact CE1-CG2 4.28Å; F70-T131 HydrophobicContact CZ-CG2 4.05Å; F70-R134 HydrophobicContact CE1-CB 3.89Å; F70-R134 HydrophobicContact CE1-CG 4.34Å; F70-R134 HydrophobicContact CZ-CB 3.89Å; F70-L135 HydrophobicContact CE2-CD2 3.69Å; F70-L135 HydrophobicContact CE2-CG 4.07Å; F70-L135 HydrophobicContact CZ-CD2 4.05Å; F70-L135 HydrophobicContact CZ-CG 3.9Å
71	K	92.1	Very high	90.5	Very high	50 Å²	50	55.7 Å²	55.7	22%	0.217	28%	0.281	C	S	.	.	H	α-helix	trans	-53	-41.9	-173.1	63.6	-167.1	178.6	-176	0	114.4	I60 L65 R66 N68 R73 V75	I60-K71 HydrophobicContact CB-CB 4.3Å; I60-K71 HydrophobicContact CB-CD 4.02Å; I60-K71 HydrophobicContact CB-CG 4Å; I60-K71 HydrophobicContact CG2-CB 4.22Å; I60-K71 HydrophobicContact CG2-CG 4.12Å; L65-K71 HydrophobicContact CB-CB 4.13Å; L65-K71 VanDerWaalsContact O-CB 3.28Å; L65-K71 WeakPolarHBondContact O-CB 3.44Å; L65-K71 WeakPolarHBondContact O-CD 3.42Å; R66-K71 PolarHBondContact O-NZ 3.34Å; N68-K71 HydrophobicContact CB-CB 4.36Å; N68-K71 WeakPolarHBondContact O-CB 3.29Å; N68-K71 WeakPolarHBondContact O-CD 3.38Å; N68-K71 WeakPolarHBondContact O-CG 3.36Å; N68-K71 PolarHBondContact O-N 3.16Å; N68-K71 VanDerWaalsContact O-N 3.15Å; K71-R73 VanDerWaalsContact C-N 3.34Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 3.37Å; K71-V75 VanDerWaalsContact O-N 3.07Å
72	E	91.8	Very high	89.8	Confident	73 Å²	73	53 Å²	53	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-39	176.7	-63.7	78.1	-169.3	0	0	111.2	M56 I60 F70 A76	M56-E72 WeakPolarHBondContact CE-O 3.02Å; M56-E72 HydrophobicContact SD-CB 4.12Å; M56-E72 HydrophobicContact SD-CG 4.3Å; I60-E72 HydrophobicContact CD1-CG 4.24Å; I60-E72 HydrophobicContact CG2-CG 4.42Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 3.35Å; E72-A76 VanDerWaalsContact O-CB 3.25Å; E72-A76 WeakPolarHBondContact O-CB 3.44Å; E72-A76 PolarHBondContact O-N 3.39Å
73	R	91	Very high	89.3	Confident	54 Å²	54	60 Å²	60	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-41	178.2	-64.2	-60.3	-56.5	-170.9	6.6	112.1	F70 K71 A76 A77 K113 I114 D116 F117	F70-R73 HydrophobicContact CB-CB 4.47Å; F70-R73 CarbonylContact O-C 3.57Å; F70-R73 WeakPolarHBondContact O-CA 3.47Å; F70-R73 WeakPolarHBondContact O-CB 3.22Å; F70-R73 PolarHBondContact O-N 3.06Å; K71-R73 VanDerWaalsContact C-N 3.34Å; R73-A76 PolarHBondContact O-N 2.81Å; R73-A77 WeakPolarHBondContact O-CB 3.32Å; R73-A77 PolarHBondContact O-N 3.03Å; R73-K113 PolarHBondContact NH2-O 2.9Å; R73-I114 HydrophobicContact CB-CG2 3.98Å; R73-I114 PolarHBondContact NE-O 3.39Å; R73-D116 PolarHBondContact NH2-O 2.72Å; R73-F117 HydrophobicContact CG-CD1 4.45Å; R73-F117 HydrophobicContact CG-CE1 3.83Å; R73-F117 HydrophobicContact CG-CZ 4.33Å; R73-F117 PolarHBondContact NH1-O 3.05Å
74	I	92.2	Very high	89.1	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-57.5	-54	174.7	-68	164.9	0	0	0	108.8	L65 N68 F70 A76 A77 F78 M94 L98 I114	L65-I74 HydrophobicContact CD2-CB 4.45Å; L65-I74 HydrophobicContact CD2-CD1 4.03Å; L65-I74 HydrophobicContact CD2-CG2 4.05Å; N68-I74 WeakPolarHBondContact ND2-CD1 3.4Å; F70-I74 HydrophobicContact CB-CD1 4.2Å; F70-I74 HydrophobicContact CB-CG1 4.26Å; F70-I74 WeakPolarHBondContact O-CG1 3.04Å; F70-I74 PolarHBondContact O-N 3.12Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 3.5Å; I74-A77 PolarHBondContact O-N 3.1Å; I74-F78 VanDerWaalsContact O-CD2 3.27Å; I74-F78 WeakPolarHBondContact O-CD2 3.31Å; I74-M94 HydrophobicContact CG2-CG 4.33Å; I74-M94 HydrophobicContact CG2-SD 4.08Å; I74-L98 HydrophobicContact CG2-CD1 3.79Å; I74-I114 HydrophobicContact CB-CD1 4.31Å; I74-I114 HydrophobicContact CG1-CD1 3.74Å; I74-I114 HydrophobicContact CG1-CG1 4.36Å
75	V	93.8	Very high	89.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-41.7	-179.3	178.7	0	0	0	0	111.4	M56 I59 I60 L65 K71 A77 F78 S79 G84 L86 M94	M56-V75 HydrophobicContact CB-CG1 4.31Å; M56-V75 HydrophobicContact CE-CB 3.91Å; M56-V75 HydrophobicContact CE-CG1 3.84Å; M56-V75 HydrophobicContact CG-CB 4.22Å; M56-V75 HydrophobicContact CG-CG1 3.89Å; I59-V75 HydrophobicContact CB-CG1 4.42Å; I59-V75 HydrophobicContact CB-CG2 4.21Å; I59-V75 HydrophobicContact CD1-CG1 4.21Å; I59-V75 HydrophobicContact CG2-CG1 4.31Å; I59-V75 HydrophobicContact CG2-CG2 3.59Å; I60-V75 HydrophobicContact CG2-CB 4.47Å; I60-V75 HydrophobicContact CG2-CG2 3.89Å; L65-V75 HydrophobicContact CD1-CG2 3.9Å; K71-V75 WeakPolarHBondContact O-CG2 3.31Å; K71-V75 PolarHBondContact O-N 3.37Å; K71-V75 VanDerWaalsContact O-N 3.07Å; V75-A77 VanDerWaalsContact C-N 3.3Å; V75-A77 PolarHBondContact O-N 2.74Å; V75-F78 PolarHBondContact O-N 2.87Å; V75-S79 PolarHBondContact O-N 2.91Å; V75-G84 VanDerWaalsContact CG1-O 3.24Å; V75-G84 WeakPolarHBondContact CG1-O 3.49Å; V75-L86 HydrophobicContact CG1-CD1 4Å; V75-L86 HydrophobicContact CG1-CD2 4.08Å; V75-L86 HydrophobicContact CG1-CG 3.81Å; V75-L86 WeakPolarHBondContact O-CD2 3.35Å; V75-M94 HydrophobicContact CG2-SD 4.36Å
76	A	91.7	Very high	89.6	Confident	42 Å²	42	55.2 Å²	55.2	35%	0.347	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-36.5	177.4	0	0	0	0	0	112.8	M56 E72 R73 I74 F78 S79	M56-A76 HydrophobicContact CE-CB 3.88Å; E72-A76 VanDerWaalsContact O-CB 3.25Å; E72-A76 WeakPolarHBondContact O-CB 3.44Å; E72-A76 PolarHBondContact O-N 3.39Å; R73-A76 PolarHBondContact O-N 2.81Å; I74-A76 VanDerWaalsContact C-N 3.34Å; I74-A76 PolarHBondContact O-N 3.5Å; A76-F78 PolarHBondContact O-N 3.47Å; A76-S79 PolarHBondContact O-N 3.14Å; A76-S79 VanDerWaalsContact O-N 3.14Å
77	A	90.9	Very high	89.9	Confident	24 Å²	24	49.8 Å²	49.8	20%	0.198	27%	0.273	C	S	.	.	H	α-helix	trans	-66.8	-19.6	-179.2	0	0	0	0	0	114.1	R73 I74 V75 K113 I114	R73-A77 WeakPolarHBondContact O-CB 3.32Å; R73-A77 PolarHBondContact O-N 3.03Å; I74-A77 PolarHBondContact O-N 3.1Å; V75-A77 VanDerWaalsContact C-N 3.3Å; V75-A77 PolarHBondContact O-N 2.74Å; A77-K113 HydrophobicContact CB-CB 4.31Å; A77-I114 HydrophobicContact CB-CD1 4.41Å; A77-I114 HydrophobicContact CB-CG1 3.73Å
78	F	93.2	Very high	90.1	Very high	11 Å²	11	43 Å²	43	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-103.3	-7.9	174.8	-69.6	-86.2	0	0	0	113.1	I74 V75 A76 E80 L86 D90 D93 M94 V97 Y110	I74-F78 VanDerWaalsContact O-CD2 3.27Å; I74-F78 WeakPolarHBondContact O-CD2 3.31Å; V75-F78 PolarHBondContact O-N 2.87Å; A76-F78 PolarHBondContact O-N 3.47Å; F78-E80 PolarHBondContact O-N 3.4Å; F78-L86 HydrophobicContact CB-CD2 4.11Å; F78-D90 WeakPolarHBondContact O-CB 3.38Å; F78-D93 HydrophobicContact CD1-CB 4.31Å; F78-M94 HydrophobicContact CB-CB 4.12Å; F78-M94 VanDerWaalsContact CD1-CA 3.41Å; F78-M94 HydrophobicContact CD1-CB 3.87Å; F78-M94 HydrophobicContact CD2-CB 3.72Å; F78-M94 HydrophobicContact CD2-CG 3.57Å; F78-M94 HydrophobicContact CD2-SD 4.44Å; F78-M94 HydrophobicContact CE1-CB 4.22Å; F78-M94 HydrophobicContact CE2-CB 4.11Å; F78-M94 HydrophobicContact CE2-CG 3.81Å; F78-M94 HydrophobicContact CG-CB 3.61Å; F78-M94 HydrophobicContact CG-CG 4.01Å; F78-M94 HydrophobicContact CZ-CB 4.35Å; F78-M94 HydrophobicContact CZ-CG 4.41Å; F78-V97 HydrophobicContact CE1-CB 3.94Å; F78-V97 HydrophobicContact CE1-CG2 3.77Å; F78-V97 HydrophobicContact CZ-CB 3.73Å; F78-V97 HydrophobicContact CZ-CG1 3.95Å; F78-V97 HydrophobicContact CZ-CG2 4.06Å; F78-Y110 HydrophobicContact CD1-CD1 4.11Å; F78-Y110 AromaticContact CD1-CE1 3.44Å; F78-Y110 HydrophobicContact CD1-CE1 3.44Å; F78-Y110 VanDerWaalsContact CD1-CE1 3.44Å; F78-Y110 AromaticContact CD1-CZ 3.94Å; F78-Y110 HydrophobicContact CD2-CD1 4.29Å; F78-Y110 HydrophobicContact CD2-CE1 4.33Å; F78-Y110 AromaticContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD1 3.46Å; F78-Y110 VanDerWaalsContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD2 4.4Å; F78-Y110 AromaticContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE2 4.09Å; F78-Y110 HydrophobicContact CE1-CG 4.1Å; F78-Y110 AromaticContact CE1-CZ 3.38Å; F78-Y110 AromaticContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CE1 4.03Å; F78-Y110 HydrophobicContact CE2-CG 4.37Å; F78-Y110 HydrophobicContact CG-CD1 4.47Å; F78-Y110 HydrophobicContact CG-CE1 4.07Å; F78-Y110 AromaticContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD2 4.28Å; F78-Y110 AromaticContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE2 4.43Å; F78-Y110 AromaticContact CZ-CG 3.66Å; F78-Y110 HydrophobicContact CZ-CG 3.66Å; F78-Y110 AromaticContact CZ-CZ 3.99Å
79	S	92.4	Very high	90.4	Very high	16 Å²	16	44.6 Å²	44.6	11%	0.112	25%	0.25	C	S	.	.			trans	-81.5	118	-177.8	-179.7	0	0	0	0	110.8	V75 A76 D81 G84 N85	V75-S79 PolarHBondContact O-N 2.91Å; A76-S79 PolarHBondContact O-N 3.14Å; A76-S79 VanDerWaalsContact O-N 3.14Å; S79-D81 VanDerWaalsContact C-N 3.35Å; S79-D81 PolarHBondContact OG-OD1 2.77Å; S79-G84 VanDerWaalsContact OG-C 3.31Å; S79-G84 WeakPolarHBondContact OG-CA 3.31Å; S79-G84 PolarHBondContact OG-N 3.37Å; S79-G84 VanDerWaalsContact OG-N 3.12Å; S79-N85 WeakPolarHBondContact CB-O 3.18Å; S79-N85 PolarHBondContact OG-N 3.03Å; S79-N85 PolarHBondContact OG-O 3.35Å
80	E	86.1	Confident	90.6	Very high	172 Å²	172	42.2 Å²	42.2	80%	0.804	23%	0.234	S	C	*	.	S	Bend	trans	-78.3	-19.9	176.8	-63.5	-167.9	156.4	0	0	113.1	F78	F78-E80 PolarHBondContact O-N 3.4Å
81	D	83.3	Confident	90.8	Very high	58 Å²	58	41.6 Å²	41.6	31%	0.31	23%	0.231	S	C	.	.	S	Bend	trans	-84.7	-12	-176.8	74.1	6.6	0	0	0	114	H53 S79 E83 G84 N85	H53-D81 IonicContact CD2-OD2 3.73Å; S79-D81 VanDerWaalsContact C-N 3.35Å; S79-D81 PolarHBondContact OG-OD1 2.77Å; D81-E83 PolarHBondContact O-N 3.49Å; D81-E83 VanDerWaalsContact O-N 3.16Å; D81-E83 WeakPolarHBondContact OD1-CA 3.5Å; D81-E83 WeakPolarHBondContact OD1-CB 3.33Å; D81-E83 PolarHBondContact OD1-N 3.46Å; D81-G84 PolarHBondContact OD1-N 2.97Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å; D81-N85 PolarHBondContact OD1-N 2.98Å; D81-N85 VanDerWaalsContact OD2-CB 3.24Å; D81-N85 WeakPolarHBondContact OD2-CB 3.43Å; D81-N85 PolarHBondContact OD2-ND2 3.21Å
82	G	78.1	Confident	90.9	Very high	74 Å²	74	39.2 Å²	39.2	76%	0.763	22%	0.221	S	C	*	.	S	Bend	trans	71.1	-3.9	-177.6	0	0	0	0	0	114.7
83	E	83.2	Confident	90.9	Very high	154 Å²	154	38.7 Å²	38.7	72%	0.72	22%	0.221	S	C	*	.	S	Bend	trans	-90.4	-8	172.2	-62.2	-171.2	170.3	0	0	111.6	D81 N85	D81-E83 PolarHBondContact O-N 3.49Å; D81-E83 VanDerWaalsContact O-N 3.16Å; D81-E83 WeakPolarHBondContact OD1-CA 3.5Å; D81-E83 WeakPolarHBondContact OD1-CB 3.33Å; D81-E83 PolarHBondContact OD1-N 3.46Å; E83-N85 VanDerWaalsContact C-N 3.35Å; E83-N85 WeakPolarHBondContact CB-ND2 3.21Å; E83-N85 PolarHBondContact OE2-ND2 2.88Å
84	G	84.8	Confident	91.1	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	21%	0.211	C	C	.	.	S	Bend	trans	87.7	5	179.5	0	0	0	0	0	113.4	M56 V75 S79 D81	M56-G84 VanDerWaalsContact CB-O 3.27Å; M56-G84 WeakPolarHBondContact CB-O 3.25Å; V75-G84 VanDerWaalsContact CG1-O 3.24Å; V75-G84 WeakPolarHBondContact CG1-O 3.49Å; S79-G84 VanDerWaalsContact OG-C 3.31Å; S79-G84 WeakPolarHBondContact OG-CA 3.31Å; S79-G84 PolarHBondContact OG-N 3.37Å; S79-G84 VanDerWaalsContact OG-N 3.12Å; D81-G84 PolarHBondContact OD1-N 2.97Å; D81-G84 VanDerWaalsContact OD1-N 3.14Å
85	N	93	Very high	91.1	Very high	27 Å²	27	36 Å²	36	14%	0.144	21%	0.21	C	C	.	.			trans	-78.2	144.3	174.7	-41.8	-62	0	0	0	108.8	H53 V54 P55 S79 D81 E83	H53-N85 HydrophobicContact CB-CB 3.89Å; V54-N85 WeakPolarHBondContact O-CA 3.3Å; V54-N85 WeakPolarHBondContact O-CB 3.24Å; P55-N85 WeakPolarHBondContact CA-OD1 3.43Å; S79-N85 WeakPolarHBondContact CB-O 3.18Å; S79-N85 PolarHBondContact OG-N 3.03Å; S79-N85 PolarHBondContact OG-O 3.35Å; D81-N85 PolarHBondContact OD1-N 2.98Å; D81-N85 VanDerWaalsContact OD2-CB 3.24Å; D81-N85 WeakPolarHBondContact OD2-CB 3.43Å; D81-N85 PolarHBondContact OD2-ND2 3.21Å; E83-N85 VanDerWaalsContact C-N 3.35Å; E83-N85 WeakPolarHBondContact CB-ND2 3.21Å; E83-N85 PolarHBondContact OE2-ND2 2.88Å
86	L	95.6	Very high	91	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-110	135.9	176.4	-59.2	-168.4	0	0	0	110.3	F34 V54 I59 V75 F78 D90 F91 M94	F34-L86 WeakPolarHBondContact CZ-O 3.49Å; V54-L86 PolarHBondContact N-O 2.79Å; V54-L86 PolarHBondContact O-N 3.06Å; V54-L86 VanDerWaalsContact O-N 3.11Å; I59-L86 HydrophobicContact CD1-CB 3.5Å; I59-L86 HydrophobicContact CD1-CD1 3.79Å; I59-L86 HydrophobicContact CD1-CG 3.47Å; I59-L86 VanDerWaalsContact CD1-CG 3.47Å; I59-L86 HydrophobicContact CG2-CD1 4.34Å; V75-L86 HydrophobicContact CG1-CD1 4Å; V75-L86 HydrophobicContact CG1-CD2 4.08Å; V75-L86 HydrophobicContact CG1-CG 3.81Å; V75-L86 WeakPolarHBondContact O-CD2 3.35Å; F78-L86 HydrophobicContact CB-CD2 4.11Å; L86-D90 HydrophobicContact CB-CB 4.02Å; L86-D90 HydrophobicContact CD2-CB 3.84Å; L86-D90 HydrophobicContact CG-CB 4.37Å; L86-F91 HydrophobicContact CD1-CD2 4.38Å; L86-M94 HydrophobicContact CD1-CE 4.24Å; L86-M94 HydrophobicContact CD1-SD 3.89Å
87	T	95.4	Very high	90.9	Very high	17 Å²	17	34.6 Å²	34.6	10%	0.104	20%	0.197	C	C	.	.			trans	-75.3	170.9	159	73.1	0	0	0	0	110.7	I51 V52 N89 D90 F91	I51-T87 HydrophobicContact CG2-CG2 4.09Å; V52-T87 WeakPolarHBondContact O-CA 3.41Å; T87-N89 PolarHBondContact O-N 3.36Å; T87-N89 PolarHBondContact OG1-N 2.85Å; T87-D90 WeakPolarHBondContact CB-OD2 3.39Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.31Å; T87-D90 PolarHBondContact N-OD2 3.15Å; T87-D90 PolarHBondContact O-N 3.19Å; T87-D90 PolarHBondContact OG1-N 3.46Å; T87-D90 PolarHBondContact OG1-OD1 3.32Å; T87-D90 PolarHBondContact OG1-OD2 3.12Å; T87-F91 VanDerWaalsContact O-CB 3.31Å; T87-F91 WeakPolarHBondContact O-CB 3.39Å; T87-F91 PolarHBondContact O-N 3.25Å
88	F	95.1	Very high	90.8	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.022	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-32.6	174	-178.6	-112.1	0	0	0	112	F8 Y16 I27 L30 H31 F34 Y46 F91 V92	F8-F88 HydrophobicContact CE1-CD1 4.16Å; F8-F88 AromaticContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE1-CE1 3.81Å; F8-F88 HydrophobicContact CE2-CE1 4.27Å; F8-F88 HydrophobicContact CE2-CZ 4.42Å; F8-F88 AromaticContact CZ-CD1 3.95Å; F8-F88 HydrophobicContact CZ-CD1 3.95Å; F8-F88 AromaticContact CZ-CE1 3.32Å; F8-F88 HydrophobicContact CZ-CE1 3.32Å; F8-F88 AromaticContact CZ-CZ 3.8Å; F8-F88 HydrophobicContact CZ-CZ 3.8Å; Y16-F88 HydrophobicContact CE1-CE1 4.33Å; Y16-F88 HydrophobicContact CE2-CE1 4.02Å; Y16-F88 AromaticContact CZ-CD1 3.95Å; Y16-F88 AromaticContact CZ-CE1 3.75Å; Y16-F88 WeakPolarHBondContact OH-CD1 3.3Å; I27-F88 HydrophobicContact CG2-CE1 4.44Å; I27-F88 HydrophobicContact CG2-CZ 4.28Å; L30-F88 HydrophobicContact CB-CE2 4.17Å; L30-F88 HydrophobicContact CB-CZ 4.4Å; H31-F88 HydrophobicContact CB-CE2 3.76Å; H31-F88 HydrophobicContact CB-CZ 3.75Å; F34-F88 HydrophobicContact CB-CD2 3.91Å; F34-F88 HydrophobicContact CB-CE2 4.3Å; F34-F88 HydrophobicContact CD1-CB 4Å; F34-F88 AromaticContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CD2 3.85Å; F34-F88 HydrophobicContact CD1-CG 4.36Å; F34-F88 HydrophobicContact CE1-CB 3.84Å; F34-F88 AromaticContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CG-CD2 3.86Å; F34-F88 HydrophobicContact CZ-CB 4.33Å; Y46-F88 HydrophobicContact CD1-CD1 4.37Å; Y46-F88 HydrophobicContact CE1-CB 3.67Å; Y46-F88 HydrophobicContact CE1-CD1 4.17Å; Y46-F88 HydrophobicContact CE1-CG 4.06Å; F88-F91 PolarHBondContact O-N 2.87Å; F88-V92 HydrophobicContact CD1-CG2 4.22Å; F88-V92 HydrophobicContact CD2-CG2 4.3Å; F88-V92 HydrophobicContact CE1-CG2 3.69Å; F88-V92 HydrophobicContact CE2-CG2 3.76Å; F88-V92 HydrophobicContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact O-CG2 3.25Å; F88-V92 WeakPolarHBondContact O-CG2 3.44Å; F88-V92 PolarHBondContact O-N 3.43Å
89	N	93.9	Very high	90.5	Very high	82 Å²	82	33.8 Å²	33.8	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-66.1	-50.2	176.3	-69.3	-19.7	0	0	0	110.4	Y16 T87 F91 V92 D93	Y16-N89 WeakPolarHBondContact CE1-OD1 3.33Å; Y16-N89 PolarHBondContact OH-OD1 3.38Å; T87-N89 PolarHBondContact O-N 3.36Å; T87-N89 PolarHBondContact OG1-N 2.85Å; N89-F91 PolarHBondContact O-N 3.01Å; N89-V92 CarbonylContact O-C 3.6Å; N89-V92 WeakPolarHBondContact O-CA 3.16Å; N89-V92 WeakPolarHBondContact O-CB 3.21Å; N89-V92 PolarHBondContact O-N 3.23Å; N89-D93 PolarHBondContact O-N 3Å
90	D	94.7	Very high	90.1	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-37.7	177.8	-46.4	-27.1	0	0	0	111.7	F78 L86 T87 D93 M94	F78-D90 WeakPolarHBondContact O-CB 3.38Å; L86-D90 HydrophobicContact CB-CB 4.02Å; L86-D90 HydrophobicContact CD2-CB 3.84Å; L86-D90 HydrophobicContact CG-CB 4.37Å; T87-D90 WeakPolarHBondContact CB-OD2 3.39Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.31Å; T87-D90 PolarHBondContact N-OD2 3.15Å; T87-D90 PolarHBondContact O-N 3.19Å; T87-D90 PolarHBondContact OG1-N 3.46Å; T87-D90 PolarHBondContact OG1-OD1 3.32Å; T87-D90 PolarHBondContact OG1-OD2 3.12Å; D90-D93 PolarHBondContact O-N 2.66Å; D90-M94 VanDerWaalsContact O-CB 3.27Å; D90-M94 WeakPolarHBondContact O-CB 3.41Å; D90-M94 PolarHBondContact O-N 3.07Å
91	F	94.6	Very high	90	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-43.4	175.7	-169.8	-100.8	0	0	0	112	L30 R33 F34 L37 I59 M62 L86 T87 F88 N89 M94 F95	L30-F91 HydrophobicContact CB-CE1 4.49Å; L30-F91 HydrophobicContact CD2-CD1 4.28Å; L30-F91 HydrophobicContact CD2-CE1 3.93Å; R33-F91 HydrophobicContact CB-CE1 4.42Å; R33-F91 HydrophobicContact CB-CZ 4.41Å; F34-F91 HydrophobicContact CB-CD1 4.22Å; F34-F91 HydrophobicContact CB-CE1 4.13Å; F34-F91 HydrophobicContact CD2-CB 3.87Å; F34-F91 AromaticContact CD2-CD1 3.86Å; F34-F91 HydrophobicContact CD2-CD1 3.86Å; F34-F91 AromaticContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CD2 3.73Å; F34-F91 HydrophobicContact CD2-CE1 4.22Å; F34-F91 HydrophobicContact CD2-CE2 4.09Å; F34-F91 AromaticContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CG 3.56Å; F34-F91 HydrophobicContact CD2-CZ 4.31Å; F34-F91 HydrophobicContact CE2-CB 3.89Å; F34-F91 HydrophobicContact CE2-CD2 4.09Å; F34-F91 HydrophobicContact CE2-CG 4.02Å; F34-F91 HydrophobicContact CG-CD1 4.39Å; F34-F91 HydrophobicContact CG-CG 4.49Å; L37-F91 HydrophobicContact CD1-CE2 3.85Å; L37-F91 HydrophobicContact CD1-CZ 4.09Å; I59-F91 HydrophobicContact CG2-CE2 4.41Å; M62-F91 HydrophobicContact CE-CE2 4.08Å; M62-F91 HydrophobicContact CE-CZ 3.68Å; M62-F91 HydrophobicContact SD-CE2 3.58Å; M62-F91 VanDerWaalsContact SD-CE2 3.58Å; M62-F91 HydrophobicContact SD-CZ 3.81Å; L86-F91 HydrophobicContact CD1-CD2 4.38Å; T87-F91 VanDerWaalsContact O-CB 3.31Å; T87-F91 WeakPolarHBondContact O-CB 3.39Å; T87-F91 PolarHBondContact O-N 3.25Å; F88-F91 PolarHBondContact O-N 2.87Å; N89-F91 PolarHBondContact O-N 3.01Å; F91-M94 HydrophobicContact CD2-CE 4.03Å; F91-M94 HydrophobicContact CE2-CE 4.2Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD1-CE2 4.19Å; F91-F95 HydrophobicContact CD2-CE2 4.11Å; F91-F95 AromaticContact CE1-CD2 3.92Å; F91-F95 HydrophobicContact CE1-CD2 3.92Å; F91-F95 AromaticContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE2-CD2 4.39Å; F91-F95 AromaticContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CG-CD2 4.39Å; F91-F95 HydrophobicContact CG-CE2 4.4Å; F91-F95 HydrophobicContact CZ-CD2 4.12Å; F91-F95 AromaticContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CE2 3.42Å; F91-F95 VanDerWaalsContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CZ 4.38Å; F91-F95 VanDerWaalsContact O-CD2 3.27Å; F91-F95 WeakPolarHBondContact O-CD2 3.23Å; F91-F95 PolarHBondContact O-N 2.96Å
92	V	94.1	Very high	90.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-43.7	174.9	169.9	0	0	0	0	110.6	Y16 T20 F22 I27 L30 F88 N89 F95 S96	Y16-V92 HydrophobicContact CD1-CG1 4.14Å; Y16-V92 HydrophobicContact CE1-CG1 4.49Å; Y16-V92 HydrophobicContact CE1-CG2 4.44Å; T20-V92 HydrophobicContact CG2-CG1 3.59Å; F22-V92 HydrophobicContact CD2-CG1 4.49Å; I27-V92 HydrophobicContact CD1-CG1 3.91Å; L30-V92 HydrophobicContact CB-CG2 4.49Å; L30-V92 HydrophobicContact CD1-CB 4.48Å; L30-V92 HydrophobicContact CD1-CG1 4.43Å; L30-V92 HydrophobicContact CD1-CG2 4.03Å; F88-V92 HydrophobicContact CD1-CG2 4.22Å; F88-V92 HydrophobicContact CD2-CG2 4.3Å; F88-V92 HydrophobicContact CE1-CG2 3.69Å; F88-V92 HydrophobicContact CE2-CG2 3.76Å; F88-V92 HydrophobicContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact CZ-CG2 3.44Å; F88-V92 VanDerWaalsContact O-CG2 3.25Å; F88-V92 WeakPolarHBondContact O-CG2 3.44Å; F88-V92 PolarHBondContact O-N 3.43Å; N89-V92 CarbonylContact O-C 3.6Å; N89-V92 WeakPolarHBondContact O-CA 3.16Å; N89-V92 WeakPolarHBondContact O-CB 3.21Å; N89-V92 PolarHBondContact O-N 3.23Å; V92-F95 PolarHBondContact O-N 2.73Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.28Å
93	D	92.6	Very high	90.6	Very high	63 Å²	63	33.2 Å²	33.2	34%	0.337	18%	0.182	S	C	.	.	H	α-helix	trans	-64.4	-42.8	179	-71.4	-18.4	0	0	0	111.5	F78 N89 D90 F95 S96 V97	F78-D93 HydrophobicContact CD1-CB 4.31Å; N89-D93 PolarHBondContact O-N 3Å; D90-D93 PolarHBondContact O-N 2.66Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-F95 PolarHBondContact O-N 2.85Å; D93-S96 WeakPolarHBondContact O-CB 3.05Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 VanDerWaalsContact O-N 3.16Å; D93-V97 WeakPolarHBondContact O-CG2 3.4Å; D93-V97 PolarHBondContact O-N 3.01Å
94	M	93.6	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-52.2	-53.4	173.4	-178	-178.1	71.3	0	0	111.2	I59 L65 I74 V75 F78 L86 D90 F91 L98	I59-M94 HydrophobicContact CG2-CE 4.31Å; L65-M94 HydrophobicContact CD1-CE 4.17Å; L65-M94 HydrophobicContact CD1-SD 4.31Å; I74-M94 HydrophobicContact CG2-CG 4.33Å; I74-M94 HydrophobicContact CG2-SD 4.08Å; V75-M94 HydrophobicContact CG2-SD 4.36Å; F78-M94 HydrophobicContact CB-CB 4.12Å; F78-M94 VanDerWaalsContact CD1-CA 3.41Å; F78-M94 HydrophobicContact CD1-CB 3.87Å; F78-M94 HydrophobicContact CD2-CB 3.72Å; F78-M94 HydrophobicContact CD2-CG 3.57Å; F78-M94 HydrophobicContact CD2-SD 4.44Å; F78-M94 HydrophobicContact CE1-CB 4.22Å; F78-M94 HydrophobicContact CE2-CB 4.11Å; F78-M94 HydrophobicContact CE2-CG 3.81Å; F78-M94 HydrophobicContact CG-CB 3.61Å; F78-M94 HydrophobicContact CG-CG 4.01Å; F78-M94 HydrophobicContact CZ-CB 4.35Å; F78-M94 HydrophobicContact CZ-CG 4.41Å; L86-M94 HydrophobicContact CD1-CE 4.24Å; L86-M94 HydrophobicContact CD1-SD 3.89Å; D90-M94 VanDerWaalsContact O-CB 3.27Å; D90-M94 WeakPolarHBondContact O-CB 3.41Å; D90-M94 PolarHBondContact O-N 3.07Å; F91-M94 HydrophobicContact CD2-CE 4.03Å; F91-M94 HydrophobicContact CE2-CE 4.2Å; M94-L98 HydrophobicContact CG-CD1 3.76Å; M94-L98 WeakPolarHBondContact O-CB 3.46Å; M94-L98 WeakPolarHBondContact O-CD1 3.32Å; M94-L98 WeakPolarHBondContact O-CG 3.16Å; M94-L98 PolarHBondContact O-N 2.88Å
95	F	92.8	Very high	90.8	Very high	3 Å²	3	41 Å²	41	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-72.1	-31.7	-179.9	-80.7	-65.2	0	0	0	113	F22 L30 M62 E64 F91 V92 D93 L98 C99 I185 I187	F22-F95 HydrophobicContact CE2-CB 3.9Å; F22-F95 VanDerWaalsContact CZ-C 3.43Å; F22-F95 HydrophobicContact CZ-CB 3.89Å; F22-F95 VanDerWaalsContact CZ-O 3.3Å; F22-F95 WeakPolarHBondContact CZ-O 3.29Å; L30-F95 HydrophobicContact CD1-CB 4.48Å; L30-F95 HydrophobicContact CD2-CB 3.96Å; L30-F95 HydrophobicContact CD2-CD2 3.54Å; L30-F95 HydrophobicContact CD2-CE2 4.25Å; L30-F95 HydrophobicContact CD2-CG 3.84Å; M62-F95 HydrophobicContact CE-CE2 4.01Å; M62-F95 HydrophobicContact CE-CZ 3.68Å; M62-F95 HydrophobicContact SD-CZ 4.42Å; E64-F95 HydrophobicContact CB-CE1 4.49Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD1-CE2 4.19Å; F91-F95 HydrophobicContact CD2-CE2 4.11Å; F91-F95 AromaticContact CE1-CD2 3.92Å; F91-F95 HydrophobicContact CE1-CD2 3.92Å; F91-F95 AromaticContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE1-CE2 3.7Å; F91-F95 HydrophobicContact CE2-CD2 4.39Å; F91-F95 AromaticContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CE2-CE2 3.63Å; F91-F95 HydrophobicContact CG-CD2 4.39Å; F91-F95 HydrophobicContact CG-CE2 4.4Å; F91-F95 HydrophobicContact CZ-CD2 4.12Å; F91-F95 AromaticContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CE2 3.42Å; F91-F95 VanDerWaalsContact CZ-CE2 3.42Å; F91-F95 HydrophobicContact CZ-CZ 4.38Å; F91-F95 VanDerWaalsContact O-CD2 3.27Å; F91-F95 WeakPolarHBondContact O-CD2 3.23Å; F91-F95 PolarHBondContact O-N 2.96Å; V92-F95 PolarHBondContact O-N 2.73Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-F95 PolarHBondContact O-N 2.85Å; F95-L98 PolarHBondContact O-N 3.04Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 2.8Å; F95-I185 HydrophobicContact CD1-CG2 4.41Å; F95-I185 HydrophobicContact CE1-CG2 3.84Å; F95-I187 HydrophobicContact CB-CD1 3.61Å; F95-I187 HydrophobicContact CD1-CD1 3.13Å; F95-I187 HydrophobicContact CD1-CG1 3.45Å; F95-I187 VanDerWaalsContact CD1-CG1 3.45Å; F95-I187 HydrophobicContact CD2-CD1 4.15Å; F95-I187 HydrophobicContact CE1-CD1 3.76Å; F95-I187 HydrophobicContact CE1-CG1 3.64Å; F95-I187 HydrophobicContact CG-CD1 3.35Å; F95-I187 HydrophobicContact CG-CG1 4.18Å
96	S	91.7	Very high	90.7	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.035	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-46.5	177	-174.8	0	0	0	0	110	T20 F21 F22 V92 D93 C99 A102	T20-S96 WeakPolarHBondContact CB-OG 3.26Å; F21-S96 WeakPolarHBondContact CD2-O 3.33Å; F21-S96 VanDerWaalsContact CD2-OG 3.31Å; F21-S96 WeakPolarHBondContact CD2-OG 3.06Å; F21-S96 PolarHBondContact N-OG 3.31Å; F22-S96 VanDerWaalsContact CE2-CA 3.47Å; F22-S96 VanDerWaalsContact CE2-N 3.31Å; V92-S96 WeakPolarHBondContact O-CB 3.49Å; V92-S96 PolarHBondContact O-N 3.28Å; D93-S96 WeakPolarHBondContact O-CB 3.05Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 VanDerWaalsContact O-N 3.16Å; S96-C99 PolarHBondContact O-SG 3.29Å; S96-A102 WeakPolarHBondContact O-CB 3.36Å
97	V	90.4	Very high	90.3	Very high	6 Å²	6	43 Å²	43	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-68.6	-40.4	176.9	173	0	0	0	0	112.1	F78 D93 C99 A102 L106 K107 Y110	F78-V97 HydrophobicContact CE1-CB 3.94Å; F78-V97 HydrophobicContact CE1-CG2 3.77Å; F78-V97 HydrophobicContact CZ-CB 3.73Å; F78-V97 HydrophobicContact CZ-CG1 3.95Å; F78-V97 HydrophobicContact CZ-CG2 4.06Å; D93-V97 WeakPolarHBondContact O-CG2 3.4Å; D93-V97 PolarHBondContact O-N 3.01Å; V97-C99 VanDerWaalsContact C-N 3.26Å; V97-C99 PolarHBondContact O-N 2.97Å; V97-A102 VanDerWaalsContact O-CB 3.23Å; V97-A102 WeakPolarHBondContact O-CB 3.41Å; V97-L106 HydrophobicContact CG1-CG 4.3Å; V97-L106 HydrophobicContact CG2-CD1 4.32Å; V97-L106 HydrophobicContact CG2-CD2 3.86Å; V97-L106 HydrophobicContact CG2-CG 3.94Å; V97-K107 WeakPolarHBondContact O-CE 3.49Å; V97-Y110 HydrophobicContact CB-CD2 4.29Å; V97-Y110 HydrophobicContact CB-CE2 4.49Å; V97-Y110 HydrophobicContact CG1-CD2 3.57Å; V97-Y110 HydrophobicContact CG1-CE2 4.23Å; V97-Y110 HydrophobicContact CG1-CG 3.85Å; V97-Y110 HydrophobicContact CG2-CD2 3.83Å; V97-Y110 HydrophobicContact CG2-CE2 3.59Å
98	L	88.2	Confident	90.1	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-80.5	-3.7	-177	-63.1	172.2	0	0	0	113.3	I74 M94 F95 F183 H184 I185	I74-L98 HydrophobicContact CG2-CD1 3.79Å; M94-L98 HydrophobicContact CG-CD1 3.76Å; M94-L98 WeakPolarHBondContact O-CB 3.46Å; M94-L98 WeakPolarHBondContact O-CD1 3.32Å; M94-L98 WeakPolarHBondContact O-CG 3.16Å; M94-L98 PolarHBondContact O-N 2.88Å; F95-L98 PolarHBondContact O-N 3.04Å; L98-F183 HydrophobicContact CD2-CD1 4.17Å; L98-F183 HydrophobicContact CD2-CE1 3.78Å; L98-H184 CarbonylContact O-C 3.51Å; L98-H184 WeakPolarHBondContact O-CA 3.26Å; L98-H184 VanDerWaalsContact O-CB 3.31Å; L98-H184 WeakPolarHBondContact O-CB 3.38Å; L98-I185 HydrophobicContact CB-CB 4.12Å; L98-I185 HydrophobicContact CB-CG1 4.18Å; L98-I185 HydrophobicContact CD1-CD1 3.56Å; L98-I185 HydrophobicContact CD1-CG1 4.05Å; L98-I185 PolarHBondContact O-N 3.41Å
99	C	87.6	Confident	89.9	Confident	14 Å²	14	44.8 Å²	44.8	10%	0.095	23%	0.23	C	C	.	.	S	Bend	trans	-71.9	159.1	176.4	84.8	0	0	0	0	112	F22 F95 S96 V97 S101 A102 K107	F22-C99 HydrophobicContact CE1-CB 4.07Å; F22-C99 HydrophobicContact CZ-CB 4.18Å; F95-C99 WeakPolarHBondContact O-CB 3.44Å; F95-C99 PolarHBondContact O-N 2.8Å; S96-C99 PolarHBondContact O-SG 3.29Å; V97-C99 VanDerWaalsContact C-N 3.26Å; V97-C99 PolarHBondContact O-N 2.97Å; C99-S101 VanDerWaalsContact C-N 3.28Å; C99-S101 PolarHBondContact O-N 2.93Å; C99-A102 PolarHBondContact O-N 3.19Å; C99-A102 PolarHBondContact SG-N 3.15Å; C99-K107 WeakPolarHBondContact O-CE 3.25Å; C99-K107 PolarHBondContact O-NZ 3.36Å
100	E	84	Confident	89.8	Confident	144 Å²	144	43 Å²	43	67%	0.673	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-35.3	-179.7	-170.4	172.5	173	0	0	112.7	A102	E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 2.87Å
101	S	83	Confident	89.6	Confident	95 Å²	95	42.6 Å²	42.6	66%	0.664	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.9	-176.5	-53.9	0	0	0	0	114.6	C99	C99-S101 VanDerWaalsContact C-N 3.28Å; C99-S101 PolarHBondContact O-N 2.93Å
102	A	86.8	Confident	89.5	Confident	7 Å²	7	43.1 Å²	43.1	6%	0.058	22%	0.217	C	C	.	.	S	Bend	trans	-68	140.6	-177	0	0	0	0	0	111.7	F21 S96 V97 C99 E100 K107	F21-A102 HydrophobicContact CD2-CB 3.98Å; F21-A102 HydrophobicContact CE2-CB 3.82Å; S96-A102 WeakPolarHBondContact O-CB 3.36Å; V97-A102 VanDerWaalsContact O-CB 3.23Å; V97-A102 WeakPolarHBondContact O-CB 3.41Å; C99-A102 PolarHBondContact O-N 3.19Å; C99-A102 PolarHBondContact SG-N 3.15Å; E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 2.87Å; A102-K107 HydrophobicContact CB-CG 4.36Å
103	P	88	Confident	89.4	Confident	62 Å²	62	47.6 Å²	47.6	40%	0.403	24%	0.237	S	C	.	.			trans	-54.9	145.2	177.4	-26	33	0	0	0	112.6	F21 E105 L106 K107	F21-P103 HydrophobicContact CE1-CG 4.36Å; F21-P103 HydrophobicContact CZ-CG 3.95Å; P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 PolarHBondContact O-N 3.47Å; P103-L106 HydrophobicContact CB-CB 4.31Å; P103-L106 PolarHBondContact O-N 3.17Å; P103-K107 PolarHBondContact O-N 2.85Å; P103-K107 VanDerWaalsContact O-N 3.11Å
104	R	85.2	Confident	89.4	Confident	183 Å²	183	44.7 Å²	44.7	69%	0.691	22%	0.221	S	C	*	.	H	α-helix	trans	-58.4	-42.3	178.4	-70.7	-175.6	180	-173.5	-2.2	112.6	L106 K107 A108 L180	R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 3.4Å; R104-K107 PolarHBondContact O-N 3.08Å; R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 2.63Å; R104-L180 HydrophobicContact CB-CD1 3.86Å; R104-L180 HydrophobicContact CG-CD1 3.97Å
105	E	87.6	Confident	89.3	Confident	136 Å²	136	45.8 Å²	45.8	64%	0.636	23%	0.225	S	C	*	.	H	α-helix	trans	-60.7	-41.2	178.1	-174.4	-177.6	173.3	0	0	112	P103 A108 N109	P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 PolarHBondContact O-N 3.47Å; E105-A108 WeakPolarHBondContact O-CB 3.34Å; E105-A108 PolarHBondContact O-N 3.22Å; E105-N109 PolarHBondContact O-N 2.93Å
106	L	89	Confident	89.3	Confident	58 Å²	58	46 Å²	46	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-44.3	176.5	-174.8	61.2	0	0	0	111	F21 V97 P103 R104 A108 N109 Y110	F21-L106 HydrophobicContact CE2-CD2 3.93Å; F21-L106 HydrophobicContact CZ-CD2 4.34Å; V97-L106 HydrophobicContact CG1-CG 4.3Å; V97-L106 HydrophobicContact CG2-CD1 4.32Å; V97-L106 HydrophobicContact CG2-CD2 3.86Å; V97-L106 HydrophobicContact CG2-CG 3.94Å; P103-L106 HydrophobicContact CB-CB 4.31Å; P103-L106 PolarHBondContact O-N 3.17Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 3.4Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.3Å; L106-N109 PolarHBondContact O-N 3.39Å; L106-Y110 HydrophobicContact CD1-CD2 4.14Å; L106-Y110 HydrophobicContact CD1-CE2 3.87Å; L106-Y110 WeakPolarHBondContact O-CD2 3.47Å; L106-Y110 PolarHBondContact O-N 3.25Å
107	K	88.9	Confident	89.2	Confident	11 Å²	11	47.4 Å²	47.4	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-40.3	174.9	-68.2	-175.7	-179.3	-167.5	0	112.2	V97 C99 A102 P103 R104 N109 Y110 A111 L180 F183	V97-K107 WeakPolarHBondContact O-CE 3.49Å; C99-K107 WeakPolarHBondContact O-CE 3.25Å; C99-K107 PolarHBondContact O-NZ 3.36Å; A102-K107 HydrophobicContact CB-CG 4.36Å; P103-K107 PolarHBondContact O-N 2.85Å; P103-K107 VanDerWaalsContact O-N 3.11Å; R104-K107 PolarHBondContact O-N 3.08Å; K107-N109 VanDerWaalsContact C-N 3.33Å; K107-N109 PolarHBondContact O-N 3.16Å; K107-Y110 PolarHBondContact O-N 3.24Å; K107-A111 VanDerWaalsContact O-CB 3.22Å; K107-A111 WeakPolarHBondContact O-CB 3.43Å; K107-A111 PolarHBondContact O-N 2.86Å; K107-L180 HydrophobicContact CB-CD2 4.07Å; K107-F183 HydrophobicContact CB-CD1 4.44Å
108	A	89.9	Confident	89.2	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-46.4	176.1	0	0	0	0	0	111.4	R104 E105 L106 Y110 A111 F112 F166 I173	R104-A108 WeakPolarHBondContact O-CB 3.46Å; R104-A108 PolarHBondContact O-N 2.63Å; E105-A108 WeakPolarHBondContact O-CB 3.34Å; E105-A108 PolarHBondContact O-N 3.22Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.3Å; A108-Y110 PolarHBondContact O-N 3.04Å; A108-A111 PolarHBondContact O-N 2.88Å; A108-F112 WeakPolarHBondContact O-CB 3.47Å; A108-F112 PolarHBondContact O-N 3.04Å; A108-F166 HydrophobicContact CB-CE2 4.48Å; A108-F166 HydrophobicContact CB-CZ 4.49Å; A108-I173 HydrophobicContact CB-CD1 3.19Å
109	N	91.4	Very high	89.2	Confident	59 Å²	59	55.5 Å²	55.5	32%	0.316	28%	0.279	S	S	.	.	H	α-helix	trans	-59.2	-46.9	178.5	-167.2	-76.7	0	0	0	112.3	E105 L106 K107 F112 K113 F166	E105-N109 PolarHBondContact O-N 2.93Å; L106-N109 PolarHBondContact O-N 3.39Å; K107-N109 VanDerWaalsContact C-N 3.33Å; K107-N109 PolarHBondContact O-N 3.16Å; N109-F112 WeakPolarHBondContact O-CB 3.37Å; N109-F112 PolarHBondContact O-N 2.79Å; N109-K113 WeakPolarHBondContact O-CG 3.25Å; N109-K113 PolarHBondContact O-N 3.26Å; N109-K113 WeakPolarHBondContact OD1-CE 3.37Å; N109-F166 HydrophobicContact CB-CE2 4.25Å; N109-F166 HydrophobicContact CB-CZ 4.39Å
110	Y	91.7	Very high	89.4	Confident	43 Å²	43	58 Å²	58	17%	0.169	29%	0.292	C	S	.	.	H	α-helix	trans	-73.6	-34.9	178.6	-81.5	-86.5	0	0	0	113	F78 V97 L106 K107 A108 F112 K113 I114	F78-Y110 HydrophobicContact CD1-CD1 4.11Å; F78-Y110 AromaticContact CD1-CE1 3.44Å; F78-Y110 HydrophobicContact CD1-CE1 3.44Å; F78-Y110 VanDerWaalsContact CD1-CE1 3.44Å; F78-Y110 AromaticContact CD1-CZ 3.94Å; F78-Y110 HydrophobicContact CD2-CD1 4.29Å; F78-Y110 HydrophobicContact CD2-CE1 4.33Å; F78-Y110 AromaticContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD1 3.46Å; F78-Y110 VanDerWaalsContact CE1-CD1 3.46Å; F78-Y110 HydrophobicContact CE1-CD2 4.4Å; F78-Y110 AromaticContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE1 3.05Å; F78-Y110 HydrophobicContact CE1-CE2 4.09Å; F78-Y110 HydrophobicContact CE1-CG 4.1Å; F78-Y110 AromaticContact CE1-CZ 3.38Å; F78-Y110 AromaticContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CD1 3.67Å; F78-Y110 HydrophobicContact CE2-CE1 4.03Å; F78-Y110 HydrophobicContact CE2-CG 4.37Å; F78-Y110 HydrophobicContact CG-CD1 4.47Å; F78-Y110 HydrophobicContact CG-CE1 4.07Å; F78-Y110 AromaticContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD1 3.19Å; F78-Y110 HydrophobicContact CZ-CD2 4.28Å; F78-Y110 AromaticContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE1 3.38Å; F78-Y110 HydrophobicContact CZ-CE2 4.43Å; F78-Y110 AromaticContact CZ-CG 3.66Å; F78-Y110 HydrophobicContact CZ-CG 3.66Å; F78-Y110 AromaticContact CZ-CZ 3.99Å; V97-Y110 HydrophobicContact CB-CD2 4.29Å; V97-Y110 HydrophobicContact CB-CE2 4.49Å; V97-Y110 HydrophobicContact CG1-CD2 3.57Å; V97-Y110 HydrophobicContact CG1-CE2 4.23Å; V97-Y110 HydrophobicContact CG1-CG 3.85Å; V97-Y110 HydrophobicContact CG2-CD2 3.83Å; V97-Y110 HydrophobicContact CG2-CE2 3.59Å; L106-Y110 HydrophobicContact CD1-CD2 4.14Å; L106-Y110 HydrophobicContact CD1-CE2 3.87Å; L106-Y110 WeakPolarHBondContact O-CD2 3.47Å; L106-Y110 PolarHBondContact O-N 3.25Å; K107-Y110 PolarHBondContact O-N 3.24Å; A108-Y110 PolarHBondContact O-N 3.04Å; Y110-F112 VanDerWaalsContact C-N 3.31Å; Y110-F112 PolarHBondContact O-N 3.35Å; Y110-K113 PolarHBondContact O-N 3.41Å; Y110-I114 WeakPolarHBondContact O-CB 3.47Å; Y110-I114 WeakPolarHBondContact O-CD1 3.3Å; Y110-I114 VanDerWaalsContact O-CG1 3.29Å; Y110-I114 WeakPolarHBondContact O-CG1 3.26Å; Y110-I114 PolarHBondContact O-N 2.91Å
111	A	90.5	Very high	89.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-44.8	172.4	0	0	0	0	0	110.8	K107 A108 K113 I114 Y115 F169 F179 F183	K107-A111 VanDerWaalsContact O-CB 3.22Å; K107-A111 WeakPolarHBondContact O-CB 3.43Å; K107-A111 PolarHBondContact O-N 2.86Å; A108-A111 PolarHBondContact O-N 2.88Å; A111-K113 PolarHBondContact O-N 3.36Å; A111-I114 WeakPolarHBondContact O-CB 3.19Å; A111-I114 PolarHBondContact O-N 3.36Å; A111-I114 VanDerWaalsContact O-N 3.1Å; A111-Y115 HydrophobicContact CB-CE2 4.33Å; A111-Y115 WeakPolarHBondContact O-CD2 3.33Å; A111-Y115 PolarHBondContact O-N 3.22Å; A111-F169 HydrophobicContact CB-CE1 4.11Å; A111-F169 HydrophobicContact CB-CZ 4.07Å; A111-F179 HydrophobicContact CB-CE1 4.1Å; A111-F179 HydrophobicContact CB-CZ 4.4Å; A111-F183 HydrophobicContact CB-CD1 4.44Å; A111-F183 HydrophobicContact CB-CD2 4.41Å; A111-F183 HydrophobicContact CB-CE1 3.94Å; A111-F183 HydrophobicContact CB-CE2 3.91Å; A111-F183 HydrophobicContact CB-CZ 3.64Å
112	F	93	Very high	90.4	Very high	11 Å²	11	54.9 Å²	54.9	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-51	175	-173.9	-97.4	0	0	0	111.6	A108 N109 Y110 I114 Y115 D116 N121 I123 F166 F169	A108-F112 WeakPolarHBondContact O-CB 3.47Å; A108-F112 PolarHBondContact O-N 3.04Å; N109-F112 WeakPolarHBondContact O-CB 3.37Å; N109-F112 PolarHBondContact O-N 2.79Å; Y110-F112 VanDerWaalsContact C-N 3.31Å; Y110-F112 PolarHBondContact O-N 3.35Å; F112-I114 PolarHBondContact O-N 3.2Å; F112-Y115 PolarHBondContact O-N 2.82Å; F112-Y115 VanDerWaalsContact O-N 3.15Å; F112-D116 WeakPolarHBondContact O-CB 3.27Å; F112-D116 PolarHBondContact O-N 3.07Å; F112-N121 VanDerWaalsContact CZ-O 3.23Å; F112-N121 WeakPolarHBondContact CZ-O 3.36Å; F112-I123 HydrophobicContact CD2-CD1 3.54Å; F112-I123 HydrophobicContact CD2-CG1 4.03Å; F112-I123 HydrophobicContact CE2-CD1 3.7Å; F112-I123 HydrophobicContact CE2-CG1 3.75Å; F112-I123 HydrophobicContact CG-CD1 4.44Å; F112-I123 HydrophobicContact CZ-CG1 4.34Å; F112-F166 HydrophobicContact CB-CD2 4.06Å; F112-F166 HydrophobicContact CB-CE2 4.34Å; F112-F166 HydrophobicContact CD1-CD2 4.31Å; F112-F166 HydrophobicContact CD2-CD2 4.27Å; F112-F166 AromaticContact CG-CD2 3.96Å; F112-F166 HydrophobicContact CG-CD2 3.96Å; F112-F169 HydrophobicContact CB-CD1 3.91Å; F112-F169 HydrophobicContact CB-CE1 3.99Å; F112-F169 HydrophobicContact CD2-CB 3.61Å; F112-F169 AromaticContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD2 4.24Å; F112-F169 HydrophobicContact CD2-CE1 4.48Å; F112-F169 AromaticContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CE2-CB 3.92Å; F112-F169 HydrophobicContact CE2-CG 4.34Å; F112-F169 HydrophobicContact CG-CD1 4.33Å
113	K	91.9	Very high	90.7	Very high	94 Å²	94	54.7 Å²	54.7	41%	0.409	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-32.1	176.2	-69.5	177.9	179.1	178.7	0	113.9	R73 A77 N109 Y110 A111	R73-K113 PolarHBondContact NH2-O 2.9Å; A77-K113 HydrophobicContact CB-CB 4.31Å; N109-K113 WeakPolarHBondContact O-CG 3.25Å; N109-K113 PolarHBondContact O-N 3.26Å; N109-K113 WeakPolarHBondContact OD1-CE 3.37Å; Y110-K113 PolarHBondContact O-N 3.41Å; A111-K113 PolarHBondContact O-N 3.36Å
114	I	91.7	Very high	90.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-38.3	178.9	-76.6	161.1	0	0	0	110.7	F70 R73 I74 A77 Y110 A111 F112 F183	F70-I114 HydrophobicContact CB-CG2 4.19Å; F70-I114 HydrophobicContact CD1-CG2 4.34Å; F70-I114 HydrophobicContact CG-CG2 4.45Å; R73-I114 HydrophobicContact CB-CG2 3.98Å; R73-I114 PolarHBondContact NE-O 3.39Å; I74-I114 HydrophobicContact CB-CD1 4.31Å; I74-I114 HydrophobicContact CG1-CD1 3.74Å; I74-I114 HydrophobicContact CG1-CG1 4.36Å; A77-I114 HydrophobicContact CB-CD1 4.41Å; A77-I114 HydrophobicContact CB-CG1 3.73Å; Y110-I114 WeakPolarHBondContact O-CB 3.47Å; Y110-I114 WeakPolarHBondContact O-CD1 3.3Å; Y110-I114 VanDerWaalsContact O-CG1 3.29Å; Y110-I114 WeakPolarHBondContact O-CG1 3.26Å; Y110-I114 PolarHBondContact O-N 2.91Å; A111-I114 WeakPolarHBondContact O-CB 3.19Å; A111-I114 PolarHBondContact O-N 3.36Å; A111-I114 VanDerWaalsContact O-N 3.1Å; F112-I114 PolarHBondContact O-N 3.2Å; I114-F183 HydrophobicContact CD1-CE1 4.44Å; I114-F183 HydrophobicContact CD1-CZ 3.63Å
115	Y	91.7	Very high	91.2	Very high	23 Å²	23	46.3 Å²	46.3	9%	0.09	23%	0.231	C	C	.	.	H	α-helix	trans	-83.5	-27.8	179.6	-68.1	-57.1	0	0	0	114.7	F70 A111 F112 F117 D127 T131 F169 F179	F70-Y115 HydrophobicContact CD1-CE1 4.45Å; F70-Y115 HydrophobicContact CE1-CD1 4.22Å; F70-Y115 AromaticContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE1-CE1 3.83Å; F70-Y115 HydrophobicContact CE2-CE1 4.46Å; F70-Y115 AromaticContact CZ-CE1 3.84Å; F70-Y115 HydrophobicContact CZ-CE1 3.84Å; A111-Y115 HydrophobicContact CB-CE2 4.33Å; A111-Y115 WeakPolarHBondContact O-CD2 3.33Å; A111-Y115 PolarHBondContact O-N 3.22Å; F112-Y115 PolarHBondContact O-N 2.82Å; F112-Y115 VanDerWaalsContact O-N 3.15Å; Y115-F117 WeakPolarHBondContact O-CD2 3.32Å; Y115-F117 PolarHBondContact O-N 2.86Å; Y115-D127 WeakPolarHBondContact O-CB 3.23Å; Y115-T131 HydrophobicContact CD1-CG2 3.6Å; Y115-T131 WeakPolarHBondContact CD1-OG1 3.27Å; Y115-T131 HydrophobicContact CE1-CG2 3.5Å; Y115-F169 AromaticContact CD2-CE2 3.95Å; Y115-F169 HydrophobicContact CD2-CE2 3.95Å; Y115-F169 AromaticContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CE2-CE2 4.44Å; Y115-F169 HydrophobicContact CE2-CZ 4.16Å; Y115-F179 HydrophobicContact CE2-CE1 4.4Å; Y115-F179 HydrophobicContact CE2-CE2 4Å; Y115-F179 AromaticContact CE2-CZ 3.48Å; Y115-F179 HydrophobicContact CE2-CZ 3.48Å; Y115-F179 VanDerWaalsContact CE2-CZ 3.48Å; Y115-F179 AromaticContact CZ-CE2 3.97Å; Y115-F179 AromaticContact CZ-CZ 3.83Å; Y115-F179 WeakPolarHBondContact OH-CE2 3.32Å; Y115-F179 VanDerWaalsContact OH-CZ 3.31Å; Y115-F179 WeakPolarHBondContact OH-CZ 3.4Å
116	D	93.5	Very high	91.5	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	23%	0.227	C	C	.	.			trans	-71.4	90	173	172.8	2.5	0	0	0	109.7	R73 F112 N118 T119 D120 N121 I123	R73-D116 PolarHBondContact NH2-O 2.72Å; F112-D116 WeakPolarHBondContact O-CB 3.27Å; F112-D116 PolarHBondContact O-N 3.07Å; D116-N118 PolarHBondContact OD1-OD1 3.19Å; D116-T119 WeakPolarHBondContact OD1-CA 3.23Å; D116-T119 PolarHBondContact OD1-N 2.87Å; D116-T119 WeakPolarHBondContact OD2-CA 3.4Å; D116-D120 PolarHBondContact OD1-N 2.95Å; D116-D120 PolarHBondContact OD2-N 3.39Å; D116-N121 VanDerWaalsContact OD2-CA 3.24Å; D116-N121 WeakPolarHBondContact OD2-CA 3.28Å; D116-N121 PolarHBondContact OD2-N 3.34Å; D116-I123 HydrophobicContact CB-CG1 4.49Å
117	F	89.7	Confident	91.7	Very high	36 Å²	36	42.7 Å²	42.7	16%	0.158	21%	0.213	C	C	.	.	S	Bend	trans	-70.7	-37.5	-173.6	-75.7	-98.9	0	0	0	112.3	F70 R73 Y115 T119 D127 L130	F70-F117 HydrophobicContact CE1-CZ 4.47Å; R73-F117 HydrophobicContact CG-CD1 4.45Å; R73-F117 HydrophobicContact CG-CE1 3.83Å; R73-F117 HydrophobicContact CG-CZ 4.33Å; R73-F117 PolarHBondContact NH1-O 3.05Å; Y115-F117 WeakPolarHBondContact O-CD2 3.32Å; Y115-F117 PolarHBondContact O-N 2.86Å; F117-T119 VanDerWaalsContact C-N 3.35Å; F117-D127 WeakPolarHBondContact CA-OD1 3.5Å; F117-D127 WeakPolarHBondContact CB-OD1 3.38Å; F117-D127 HydrophobicContact CD2-CB 4.18Å; F117-D127 PolarHBondContact N-OD1 3.14Å; F117-L130 HydrophobicContact CB-CD1 3.78Å; F117-L130 HydrophobicContact CD1-CB 4.32Å; F117-L130 HydrophobicContact CD1-CD1 3.87Å; F117-L130 HydrophobicContact CD2-CB 3.84Å; F117-L130 HydrophobicContact CD2-CD1 4.03Å; F117-L130 HydrophobicContact CE1-CB 4.18Å; F117-L130 HydrophobicContact CE1-CD1 4.48Å; F117-L130 HydrophobicContact CE2-CB 3.7Å; F117-L130 HydrophobicContact CG-CB 4.17Å; F117-L130 HydrophobicContact CG-CD1 3.63Å; F117-L130 HydrophobicContact CZ-CB 3.88Å
118	N	89.9	Confident	91.9	Very high	74 Å²	74	43.1 Å²	43.1	40%	0.396	22%	0.216	S	C	.	.	S	Bend	trans	-85	-9.1	-174.8	76.8	16.7	0	0	0	113	D116 D120 D127	D116-N118 PolarHBondContact OD1-OD1 3.19Å; N118-D120 VanDerWaalsContact C-N 3.34Å; N118-D120 PolarHBondContact ND2-OD2 2.87Å; N118-D120 WeakPolarHBondContact OD1-CB 3.41Å; N118-D120 PolarHBondContact OD1-N 3.45Å; N118-D120 PolarHBondContact OD1-OD1 3.01Å; N118-D120 VanDerWaalsContact OD1-OD1 3.12Å; N118-D120 PolarHBondContact OD1-OD2 3.48Å; N118-D127 PolarHBondContact N-OD1 2.79Å
119	T	88	Confident	92	Very high	106 Å²	106	46.3 Å²	46.3	65%	0.65	23%	0.23	S	C	*	.			trans	62.6	31.2	179.6	62.9	0	0	0	0	114.6	D116 F117 N121	D116-T119 WeakPolarHBondContact OD1-CA 3.23Å; D116-T119 PolarHBondContact OD1-N 2.87Å; D116-T119 WeakPolarHBondContact OD2-CA 3.4Å; F117-T119 VanDerWaalsContact C-N 3.35Å; T119-N121 VanDerWaalsContact C-N 3.33Å
120	D	91.8	Very high	92	Very high	66 Å²	66	47.4 Å²	47.4	35%	0.353	24%	0.235	S	C	.	.	S	Bend	trans	-88.9	0.4	179.3	75.8	8.3	0	0	0	113.8	D116 N118 F122	D116-D120 PolarHBondContact OD1-N 2.95Å; D116-D120 PolarHBondContact OD2-N 3.39Å; N118-D120 VanDerWaalsContact C-N 3.34Å; N118-D120 PolarHBondContact ND2-OD2 2.87Å; N118-D120 WeakPolarHBondContact OD1-CB 3.41Å; N118-D120 PolarHBondContact OD1-N 3.45Å; N118-D120 PolarHBondContact OD1-OD1 3.01Å; N118-D120 VanDerWaalsContact OD1-OD1 3.12Å; N118-D120 PolarHBondContact OD1-OD2 3.48Å; D120-F122 VanDerWaalsContact C-N 3.31Å; D120-F122 VanDerWaalsContact O-CD2 3.3Å; D120-F122 WeakPolarHBondContact O-CD2 3.19Å; D120-F122 WeakPolarHBondContact OD1-CA 3.46Å; D120-F122 VanDerWaalsContact OD1-CB 3.29Å; D120-F122 WeakPolarHBondContact OD1-CB 3.31Å; D120-F122 PolarHBondContact OD1-N 3.08Å
121	N	92.5	Very high	91.9	Very high	115 Å²	115	45.9 Å²	45.9	62%	0.615	23%	0.231	S	C	*	.	S	Bend	trans	68.7	24	-173.2	-49.5	-85.4	0	0	0	114.4	F112 D116 T119	F112-N121 VanDerWaalsContact CZ-O 3.23Å; F112-N121 WeakPolarHBondContact CZ-O 3.36Å; D116-N121 VanDerWaalsContact OD2-CA 3.24Å; D116-N121 WeakPolarHBondContact OD2-CA 3.28Å; D116-N121 PolarHBondContact OD2-N 3.34Å; T119-N121 VanDerWaalsContact C-N 3.33Å
122	F	95	Very high	91.9	Very high	59 Å²	59	47.1 Å²	47.1	26%	0.259	24%	0.237	S	C	.	.	S	Bend	trans	-131.7	154.4	168.9	-57.5	-90.6	0	0	0	109	D120 K163 L164	D120-F122 VanDerWaalsContact C-N 3.31Å; D120-F122 VanDerWaalsContact O-CD2 3.3Å; D120-F122 WeakPolarHBondContact O-CD2 3.19Å; D120-F122 WeakPolarHBondContact OD1-CA 3.46Å; D120-F122 VanDerWaalsContact OD1-CB 3.29Å; D120-F122 WeakPolarHBondContact OD1-CB 3.31Å; D120-F122 PolarHBondContact OD1-N 3.08Å; F122-K163 HydrophobicContact CB-CB 4.15Å; F122-K163 HydrophobicContact CB-CD 3.74Å; F122-K163 HydrophobicContact CB-CG 4.15Å; F122-K163 HydrophobicContact CD1-CD 3.56Å; F122-K163 HydrophobicContact CD1-CG 3.85Å; F122-K163 HydrophobicContact CD2-CD 4.11Å; F122-K163 VanDerWaalsContact CD2-NZ 3.33Å; F122-K163 HydrophobicContact CE1-CD 4.19Å; F122-K163 VanDerWaalsContact CE1-CE 3.47Å; F122-K163 VanDerWaalsContact CE1-NZ 3.34Å; F122-K163 HydrophobicContact CG-CD 3.52Å; F122-K163 HydrophobicContact CG-CG 4.16Å; F122-L164 CarbonylContact C-O 3.56Å; F122-L164 WeakPolarHBondContact CA-O 3.29Å
123	I	94.2	Very high	91.7	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-101.2	102.9	166.5	-63.9	167.1	0	0	0	106	F112 D116 D127 L128 L164 F169	F112-I123 HydrophobicContact CD2-CD1 3.54Å; F112-I123 HydrophobicContact CD2-CG1 4.03Å; F112-I123 HydrophobicContact CE2-CD1 3.7Å; F112-I123 HydrophobicContact CE2-CG1 3.75Å; F112-I123 HydrophobicContact CG-CD1 4.44Å; F112-I123 HydrophobicContact CZ-CG1 4.34Å; D116-I123 HydrophobicContact CB-CG1 4.49Å; I123-D127 HydrophobicContact CG2-CB 3.94Å; I123-L128 HydrophobicContact CG2-CD2 3.69Å; I123-L128 HydrophobicContact CG2-CG 3.86Å; I123-L164 HydrophobicContact CB-CB 4.2Å; I123-L164 PolarHBondContact N-O 3.47Å; I123-L164 PolarHBondContact O-N 2.95Å; I123-F169 HydrophobicContact CD1-CD2 3.38Å; I123-F169 HydrophobicContact CD1-CE2 3.69Å; I123-F169 HydrophobicContact CD1-CG 4.04Å
124	C	92.7	Very high	91.6	Very high	15 Å²	15	49.8 Å²	49.8	10%	0.101	25%	0.25	C	S	.	.			trans	-88.7	178	178.5	71	0	0	0	0	111.4	E126 D127 L128 K163	C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 2.83Å; C124-E126 PolarHBondContact SG-OE2 3.38Å; C124-D127 PolarHBondContact N-OD2 3.46Å; C124-D127 WeakPolarHBondContact O-CB 3.5Å; C124-D127 PolarHBondContact O-N 3.04Å; C124-D127 VanDerWaalsContact O-N 3.16Å; C124-D127 PolarHBondContact SG-OD2 2.92Å; C124-L128 PolarHBondContact O-N 3.48Å; C124-L128 VanDerWaalsContact O-N 3.12Å; C124-K163 HydrophobicContact CB-CB 4.5Å
125	K	91.5	Very high	91.3	Very high	55 Å²	55	54.5 Å²	54.5	24%	0.239	28%	0.275	C	S	.	.	H	α-helix	trans	-57.2	-43.5	178.4	-178.3	166.2	179.5	163.8	0	111.6	D127 L128 E129 C149 D150 I153	K125-D127 VanDerWaalsContact C-N 3.29Å; K125-D127 PolarHBondContact O-N 3.03Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3Å; K125-L128 VanDerWaalsContact O-N 3.14Å; K125-E129 WeakPolarHBondContact CE-OE1 3.38Å; K125-E129 HydrophobicContact CG-CG 4.43Å; K125-E129 VanDerWaalsContact O-CG 3.3Å; K125-E129 WeakPolarHBondContact O-CG 3.48Å; K125-E129 PolarHBondContact O-N 3.47Å; K125-C149 HydrophobicContact CG-CB 4.02Å; K125-D150 WeakPolarHBondContact CE-OD1 3.37Å; K125-D150 IonicContact NZ-OD1 2.65Å; K125-D150 PolarHBondContact NZ-OD1 3.39Å; K125-D150 IonicContact NZ-OD2 2.87Å; K125-I153 HydrophobicContact CB-CD1 4Å
126	E	92.5	Very high	91.1	Very high	116 Å²	116	55 Å²	55	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-37.1	179.1	-63.1	77.8	-176.4	0	0	112	C124 E129 L130	C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 2.83Å; C124-E126 PolarHBondContact SG-OE2 3.38Å; E126-E129 PolarHBondContact O-N 3.02Å; E126-L130 VanDerWaalsContact O-CG 3.32Å; E126-L130 WeakPolarHBondContact O-CG 3.36Å; E126-L130 PolarHBondContact O-N 3.41Å
127	D	94.2	Very high	90.7	Very high	2 Å²	2	63 Å²	63	1%	0.011	32%	0.315	C	S	.	.	H	α-helix	trans	-66.1	-40.2	175.4	-64.5	-43	0	0	0	111.9	Y115 F117 N118 I123 C124 K125 L130 T131	Y115-D127 WeakPolarHBondContact O-CB 3.23Å; F117-D127 WeakPolarHBondContact CA-OD1 3.5Å; F117-D127 WeakPolarHBondContact CB-OD1 3.38Å; F117-D127 HydrophobicContact CD2-CB 4.18Å; F117-D127 PolarHBondContact N-OD1 3.14Å; N118-D127 PolarHBondContact N-OD1 2.79Å; I123-D127 HydrophobicContact CG2-CB 3.94Å; C124-D127 PolarHBondContact N-OD2 3.46Å; C124-D127 WeakPolarHBondContact O-CB 3.5Å; C124-D127 PolarHBondContact O-N 3.04Å; C124-D127 VanDerWaalsContact O-N 3.16Å; C124-D127 PolarHBondContact SG-OD2 2.92Å; K125-D127 VanDerWaalsContact C-N 3.29Å; K125-D127 PolarHBondContact O-N 3.03Å; D127-L130 PolarHBondContact O-N 3.24Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.2Å; D127-T131 PolarHBondContact O-OG1 3.49Å
128	L	92.2	Very high	90.5	Very high	20 Å²	20	65.4 Å²	65.4	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-40.9	175.3	-67	174.7	0	0	0	111.5	I123 C124 K125 L130 T131 L132 C149 V152 I153	I123-L128 HydrophobicContact CG2-CD2 3.69Å; I123-L128 HydrophobicContact CG2-CG 3.86Å; C124-L128 PolarHBondContact O-N 3.48Å; C124-L128 VanDerWaalsContact O-N 3.12Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 3Å; K125-L128 VanDerWaalsContact O-N 3.14Å; L128-L130 PolarHBondContact O-N 3.14Å; L128-T131 WeakPolarHBondContact O-CB 3.25Å; L128-T131 PolarHBondContact O-N 2.96Å; L128-L132 WeakPolarHBondContact O-CB 3.27Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 2.95Å; L128-C149 HydrophobicContact CB-CB 4.26Å; L128-C149 VanDerWaalsContact CB-SG 3.53Å; L128-C149 HydrophobicContact CD1-CB 4.39Å; L128-V152 HydrophobicContact CD1-CB 4.1Å; L128-V152 HydrophobicContact CD1-CG1 3.81Å; L128-V152 HydrophobicContact CD2-CG1 4.02Å; L128-I153 HydrophobicContact CD1-CD1 4.15Å; L128-I153 HydrophobicContact CD1-CG1 3.79Å
129	E	92.1	Very high	90.3	Very high	68 Å²	68	69.8 Å²	69.8	32%	0.318	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-46.6	175.8	-69.1	178.5	177	0	0	111.2	K125 E126 T131 L132 A133 V145	K125-E129 WeakPolarHBondContact CE-OE1 3.38Å; K125-E129 HydrophobicContact CG-CG 4.43Å; K125-E129 VanDerWaalsContact O-CG 3.3Å; K125-E129 WeakPolarHBondContact O-CG 3.48Å; K125-E129 PolarHBondContact O-N 3.47Å; E126-E129 PolarHBondContact O-N 3.02Å; E129-T131 VanDerWaalsContact C-N 3.34Å; E129-T131 PolarHBondContact O-N 3.13Å; E129-L132 PolarHBondContact O-N 3.16Å; E129-A133 WeakPolarHBondContact O-CB 3.27Å; E129-A133 PolarHBondContact O-N 3.25Å; E129-V145 HydrophobicContact CB-CG1 4.06Å; E129-V145 HydrophobicContact CG-CG1 3.71Å
130	L	91.7	Very high	90.3	Very high	82 Å²	82	67.4 Å²	67.4	43%	0.429	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-40.9	175.4	-70.3	174	0	0	0	111.7	F117 E126 D127 L128 A133 R134	F117-L130 HydrophobicContact CB-CD1 3.78Å; F117-L130 HydrophobicContact CD1-CB 4.32Å; F117-L130 HydrophobicContact CD1-CD1 3.87Å; F117-L130 HydrophobicContact CD2-CB 3.84Å; F117-L130 HydrophobicContact CD2-CD1 4.03Å; F117-L130 HydrophobicContact CE1-CB 4.18Å; F117-L130 HydrophobicContact CE1-CD1 4.48Å; F117-L130 HydrophobicContact CE2-CB 3.7Å; F117-L130 HydrophobicContact CG-CB 4.17Å; F117-L130 HydrophobicContact CG-CD1 3.63Å; F117-L130 HydrophobicContact CZ-CB 3.88Å; E126-L130 VanDerWaalsContact O-CG 3.32Å; E126-L130 WeakPolarHBondContact O-CG 3.36Å; E126-L130 PolarHBondContact O-N 3.41Å; D127-L130 PolarHBondContact O-N 3.24Å; L128-L130 PolarHBondContact O-N 3.14Å; L130-A133 PolarHBondContact O-N 2.95Å; L130-R134 VanDerWaalsContact O-CG 3.31Å; L130-R134 WeakPolarHBondContact O-CG 3.27Å; L130-R134 PolarHBondContact O-N 3.36Å
131	T	90.4	Very high	90.3	Very high	11 Å²	11	68.2 Å²	68.2	7%	0.067	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-49.9	175.1	-63.5	0	0	0	0	111.4	F70 Y115 D127 L128 E129 R134 L135	F70-T131 HydrophobicContact CE1-CG2 4.28Å; F70-T131 HydrophobicContact CZ-CG2 4.05Å; Y115-T131 HydrophobicContact CD1-CG2 3.6Å; Y115-T131 WeakPolarHBondContact CD1-OG1 3.27Å; Y115-T131 HydrophobicContact CE1-CG2 3.5Å; D127-T131 VanDerWaalsContact O-CB 3.31Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.2Å; D127-T131 PolarHBondContact O-OG1 3.49Å; L128-T131 WeakPolarHBondContact O-CB 3.25Å; L128-T131 PolarHBondContact O-N 2.96Å; E129-T131 VanDerWaalsContact C-N 3.34Å; E129-T131 PolarHBondContact O-N 3.13Å; T131-R134 WeakPolarHBondContact O-CB 3.24Å; T131-R134 PolarHBondContact O-N 3.33Å; T131-L135 HydrophobicContact CG2-CD1 3.93Å; T131-L135 WeakPolarHBondContact O-CG 3.41Å; T131-L135 PolarHBondContact O-N 2.88Å
132	L	89.3	Confident	90.2	Very high	26 Å²	26	70.6 Å²	70.6	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-45.4	178.6	-72.3	173.1	0	0	0	111.2	L128 E129 R134 L135 T136 V145 V148	L128-L132 WeakPolarHBondContact O-CB 3.27Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 2.95Å; E129-L132 PolarHBondContact O-N 3.16Å; L132-R134 PolarHBondContact O-N 3.4Å; L132-L135 PolarHBondContact O-N 2.96Å; L132-L135 VanDerWaalsContact O-N 3.09Å; L132-T136 WeakPolarHBondContact O-CG2 3.49Å; L132-T136 PolarHBondContact O-N 3.11Å; L132-T136 PolarHBondContact O-OG1 2.84Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; L132-V148 HydrophobicContact CD1-CB 3.8Å; L132-V148 HydrophobicContact CD1-CG1 3.67Å; L132-V148 HydrophobicContact CD2-CG1 3.89Å; L132-V148 HydrophobicContact CG-CG1 4.41Å
133	A	89.7	Confident	90.1	Very high	28 Å²	28	75.6 Å²	75.6	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-56.5	-37.4	176	0	0	0	0	0	112.2	E129 L130 K137 S138	E129-A133 WeakPolarHBondContact O-CB 3.27Å; E129-A133 PolarHBondContact O-N 3.25Å; L130-A133 PolarHBondContact O-N 2.95Å; A133-K137 CarbonylContact O-C 3.51Å; A133-K137 VanDerWaalsContact O-CA 3.25Å; A133-K137 WeakPolarHBondContact O-CA 3.39Å; A133-K137 PolarHBondContact O-N 3.08Å; A133-S138 PolarHBondContact O-N 3.42Å
134	R	88.7	Confident	90	Very high	134 Å²	134	79.8 Å²	79.8	51%	0.506	39%	0.393	S	S	.	.	H	α-helix	trans	-71.5	-39.8	175.5	-71.4	-65.4	-174.9	-124.6	-1.6	113	P69 F70 L130 T131 L132	P69-R134 HydrophobicContact CB-CB 4.25Å; P69-R134 WeakPolarHBondContact CB-O 3.38Å; P69-R134 WeakPolarHBondContact O-CD 3.47Å; F70-R134 HydrophobicContact CE1-CB 3.89Å; F70-R134 HydrophobicContact CE1-CG 4.34Å; F70-R134 HydrophobicContact CZ-CB 3.89Å; L130-R134 VanDerWaalsContact O-CG 3.31Å; L130-R134 WeakPolarHBondContact O-CG 3.27Å; L130-R134 PolarHBondContact O-N 3.36Å; T131-R134 WeakPolarHBondContact O-CB 3.24Å; T131-R134 PolarHBondContact O-N 3.33Å; L132-R134 PolarHBondContact O-N 3.4Å
135	L	87	Confident	89.9	Confident	100 Å²	100	80.1 Å²	80.1	52%	0.524	40%	0.395	S	S	.	.	H	α-helix	trans	-72	-40.9	179.6	-72.3	170.6	0	0	0	112.9	F70 T131 L132	F70-L135 HydrophobicContact CE2-CD2 3.69Å; F70-L135 HydrophobicContact CE2-CG 4.07Å; F70-L135 HydrophobicContact CZ-CD2 4.05Å; F70-L135 HydrophobicContact CZ-CG 3.9Å; T131-L135 HydrophobicContact CG2-CD1 3.93Å; T131-L135 WeakPolarHBondContact O-CG 3.41Å; T131-L135 PolarHBondContact O-N 2.88Å; L132-L135 PolarHBondContact O-N 2.96Å; L132-L135 VanDerWaalsContact O-N 3.09Å
136	T	85.7	Confident	90	Very high	34 Å²	34	79.5 Å²	79.5	21%	0.209	40%	0.395	C	S	.	.	H	α-helix	trans	-97	1.7	-175.6	68.9	0	0	0	0	113	L132 S138 E139 L140	L132-T136 WeakPolarHBondContact O-CG2 3.49Å; L132-T136 PolarHBondContact O-N 3.11Å; L132-T136 PolarHBondContact O-OG1 2.84Å; T136-S138 PolarHBondContact O-N 2.99Å; T136-E139 VanDerWaalsContact O-CB 3.25Å; T136-E139 WeakPolarHBondContact O-CB 3.4Å; T136-E139 VanDerWaalsContact O-CG 3.23Å; T136-E139 WeakPolarHBondContact O-CG 3.49Å; T136-E139 PolarHBondContact O-N 3.09Å; T136-L140 HydrophobicContact CG2-CD1 3.72Å; T136-L140 HydrophobicContact CG2-CG 3.89Å
137	K	86.1	Confident	90	Very high	173 Å²	173	78.6 Å²	78.6	75%	0.752	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.9	-173.4	-57	176.3	-179.5	173.7	0	112.4	A133 E139	A133-K137 CarbonylContact O-C 3.51Å; A133-K137 VanDerWaalsContact O-CA 3.25Å; A133-K137 WeakPolarHBondContact O-CA 3.39Å; A133-K137 PolarHBondContact O-N 3.08Å; K137-E139 VanDerWaalsContact C-N 3.26Å; K137-E139 PolarHBondContact O-N 3.09Å
138	S	84.4	Confident	89.8	Confident	88 Å²	88	81.2 Å²	81.2	62%	0.615	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	33.5	-176.6	-52.8	0	0	0	0	113.7	A133 T136	A133-S138 PolarHBondContact O-N 3.42Å; T136-S138 PolarHBondContact O-N 2.99Å
139	E	87.4	Confident	89.8	Confident	165 Å²	165	80.2 Å²	80.2	77%	0.771	41%	0.405	S	S	*	.			trans	-80	-20.4	174.2	-72.1	-179.5	171.2	0	0	113.3	T136 K137	T136-E139 VanDerWaalsContact O-CB 3.25Å; T136-E139 WeakPolarHBondContact O-CB 3.4Å; T136-E139 VanDerWaalsContact O-CG 3.23Å; T136-E139 WeakPolarHBondContact O-CG 3.49Å; T136-E139 PolarHBondContact O-N 3.09Å; K137-E139 VanDerWaalsContact C-N 3.26Å; K137-E139 PolarHBondContact O-N 3.09Å
140	L	87.1	Confident	89.8	Confident	56 Å²	56	80.4 Å²	80.4	29%	0.293	41%	0.408	S	S	.	.	S	Bend	trans	-77.2	144.4	174.4	-63.3	179.9	0	0	0	110.8	T136 E144 V145	T136-L140 HydrophobicContact CG2-CD1 3.72Å; T136-L140 HydrophobicContact CG2-CG 3.89Å; L140-E144 WeakPolarHBondContact CA-OE2 3.16Å; L140-E144 HydrophobicContact CB-CB 4.16Å; L140-E144 HydrophobicContact CD2-CB 4.29Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.2Å; L140-V145 HydrophobicContact CB-CG2 3.7Å; L140-V145 HydrophobicContact CD1-CG2 4.25Å
141	D	91.4	Very high	89.8	Confident	84 Å²	84	81.7 Å²	81.7	45%	0.449	41%	0.41	S	S	.	.			trans	-76.9	169.5	169.3	71.6	39.8	0	0	0	112.3	E143 E144 V145	D141-E143 VanDerWaalsContact C-N 3.29Å; D141-E143 PolarHBondContact O-N 2.94Å; D141-E143 WeakPolarHBondContact OD1-CB 3.47Å; D141-E143 PolarHBondContact OD1-N 3.19Å; D141-E144 PolarHBondContact N-OE2 2.87Å; D141-E144 VanDerWaalsContact N-OE2 3.08Å; D141-E144 PolarHBondContact O-N 3.18Å; D141-E144 WeakPolarHBondContact OD1-CG 3.45Å; D141-E144 PolarHBondContact OD1-N 2.77Å; D141-V145 VanDerWaalsContact O-CG2 3.32Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.31Å
142	E	90.9	Very high	89.9	Confident	165 Å²	165	83.1 Å²	83.1	77%	0.771	42%	0.418	S	S	*	.	H	α-helix	trans	-62.2	-35.4	-176.8	-171.2	177.6	176.8	0	0	112.3	V146	E142-V146 WeakPolarHBondContact O-CB 3.41Å; E142-V146 VanDerWaalsContact O-CG2 3.29Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 2.91Å
143	E	92.2	Very high	90.1	Very high	164 Å²	164	82.9 Å²	82.9	77%	0.766	42%	0.417	S	S	*	.	H	α-helix	trans	-70.7	-41	179.8	-64	-175	176	0	0	111	D141 L147	D141-E143 VanDerWaalsContact C-N 3.29Å; D141-E143 PolarHBondContact O-N 2.94Å; D141-E143 WeakPolarHBondContact OD1-CB 3.47Å; D141-E143 PolarHBondContact OD1-N 3.19Å; E143-L147 VanDerWaalsContact O-CB 3.3Å; E143-L147 WeakPolarHBondContact O-CB 3.36Å; E143-L147 PolarHBondContact O-N 3.38Å
144	E	92	Very high	90.2	Very high	90 Å²	90	89.3 Å²	89.3	42%	0.421	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-45.3	174.9	-71.5	179	136.6	0	0	111.7	L140 D141 L147 V148	L140-E144 WeakPolarHBondContact CA-OE2 3.16Å; L140-E144 HydrophobicContact CB-CB 4.16Å; L140-E144 HydrophobicContact CD2-CB 4.29Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.2Å; D141-E144 PolarHBondContact N-OE2 2.87Å; D141-E144 VanDerWaalsContact N-OE2 3.08Å; D141-E144 PolarHBondContact O-N 3.18Å; D141-E144 WeakPolarHBondContact OD1-CG 3.45Å; D141-E144 PolarHBondContact OD1-N 2.77Å; E144-L147 PolarHBondContact O-N 2.84Å; E144-V148 WeakPolarHBondContact O-CG2 2.97Å; E144-V148 PolarHBondContact O-N 3.13Å
145	V	91.7	Very high	90.2	Very high	22 Å²	22	90.3 Å²	90.3	13%	0.133	45%	0.453	C	S	.	.	H	α-helix	trans	-60.2	-50.9	177.3	169.1	0	0	0	0	110.3	E129 L132 L140 D141 L147 V148 C149	E129-V145 HydrophobicContact CB-CG1 4.06Å; E129-V145 HydrophobicContact CG-CG1 3.71Å; L132-V145 HydrophobicContact CD1-CG1 4.24Å; L140-V145 HydrophobicContact CB-CG2 3.7Å; L140-V145 HydrophobicContact CD1-CG2 4.25Å; D141-V145 VanDerWaalsContact O-CG2 3.32Å; D141-V145 WeakPolarHBondContact O-CG2 3.42Å; D141-V145 PolarHBondContact O-N 3.31Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.65Å; V145-V148 PolarHBondContact O-N 3.13Å; V145-C149 PolarHBondContact O-N 3.4Å; V145-C149 PolarHBondContact O-SG 3.39Å
146	V	92.3	Very high	90.4	Very high	42 Å²	42	85.7 Å²	85.7	26%	0.255	43%	0.429	S	S	.	.	H	α-helix	trans	-58.5	-44.4	178.8	163.2	0	0	0	0	111.2	E142 V148 C149 D150	E142-V146 WeakPolarHBondContact O-CB 3.41Å; E142-V146 VanDerWaalsContact O-CG2 3.29Å; E142-V146 WeakPolarHBondContact O-CG2 3.48Å; E142-V146 PolarHBondContact O-N 2.91Å; V146-V148 VanDerWaalsContact C-N 3.34Å; V146-V148 PolarHBondContact O-N 2.99Å; V146-C149 PolarHBondContact O-N 2.62Å; V146-D150 WeakPolarHBondContact CG1-OD2 3.38Å; V146-D150 WeakPolarHBondContact O-CB 3.11Å; V146-D150 VanDerWaalsContact O-CG 3.23Å; V146-D150 PolarHBondContact O-N 3.21Å
147	L	92.7	Very high	90.8	Very high	96 Å²	96	85.5 Å²	85.5	50%	0.503	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-40.1	179.6	-177.5	67	0	0	0	112.5	E143 E144 V145 K151	E143-L147 VanDerWaalsContact O-CB 3.3Å; E143-L147 WeakPolarHBondContact O-CB 3.36Å; E143-L147 PolarHBondContact O-N 3.38Å; E144-L147 PolarHBondContact O-N 2.84Å; V145-L147 VanDerWaalsContact C-N 3.32Å; V145-L147 PolarHBondContact O-N 2.65Å; L147-K151 WeakPolarHBondContact O-CG 3.36Å; L147-K151 PolarHBondContact O-N 3.37Å
148	V	90.8	Very high	91.1	Very high	57 Å²	57	82.3 Å²	82.3	35%	0.345	42%	0.417	S	S	.	.	H	α-helix	trans	-68.6	-45.3	177.2	176.1	0	0	0	0	110.3	L132 E144 V145 V146 D150 K151 V152	L132-V148 HydrophobicContact CD1-CB 3.8Å; L132-V148 HydrophobicContact CD1-CG1 3.67Å; L132-V148 HydrophobicContact CD2-CG1 3.89Å; L132-V148 HydrophobicContact CG-CG1 4.41Å; E144-V148 WeakPolarHBondContact O-CG2 2.97Å; E144-V148 PolarHBondContact O-N 3.13Å; V145-V148 PolarHBondContact O-N 3.13Å; V146-V148 VanDerWaalsContact C-N 3.34Å; V146-V148 PolarHBondContact O-N 2.99Å; V148-D150 PolarHBondContact O-N 3.28Å; V148-K151 PolarHBondContact O-N 2.81Å; V148-V152 HydrophobicContact CG1-CG2 4.35Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.46Å; V148-V152 PolarHBondContact O-N 3.16Å
149	C	92.3	Very high	91.5	Very high	0 Å²	0	83.4 Å²	83.4	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-59.4	-47.2	177.5	-66.1	0	0	0	0	112	K125 L128 V145 V146 K151 V152 I153	K125-C149 HydrophobicContact CG-CB 4.02Å; L128-C149 HydrophobicContact CB-CB 4.26Å; L128-C149 VanDerWaalsContact CB-SG 3.53Å; L128-C149 HydrophobicContact CD1-CB 4.39Å; V145-C149 PolarHBondContact O-N 3.4Å; V145-C149 PolarHBondContact O-SG 3.39Å; V146-C149 PolarHBondContact O-N 2.62Å; C149-K151 VanDerWaalsContact C-N 3.31Å; C149-K151 PolarHBondContact O-N 2.77Å; C149-V152 PolarHBondContact O-N 2.81Å; C149-I153 WeakPolarHBondContact O-CG1 3.45Å; C149-I153 PolarHBondContact O-N 2.78Å
150	D	93.1	Very high	91.6	Very high	72 Å²	72	78.5 Å²	78.5	39%	0.385	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-40	-179.1	-70.5	-12.2	0	0	0	111.3	K125 V146 V148 I153 E154	K125-D150 WeakPolarHBondContact CE-OD1 3.37Å; K125-D150 IonicContact NZ-OD1 2.65Å; K125-D150 PolarHBondContact NZ-OD1 3.39Å; K125-D150 IonicContact NZ-OD2 2.87Å; V146-D150 WeakPolarHBondContact CG1-OD2 3.38Å; V146-D150 WeakPolarHBondContact O-CB 3.11Å; V146-D150 VanDerWaalsContact O-CG 3.23Å; V146-D150 PolarHBondContact O-N 3.21Å; V148-D150 PolarHBondContact O-N 3.28Å; D150-I153 PolarHBondContact O-N 3.34Å; D150-E154 VanDerWaalsContact O-CB 3.29Å; D150-E154 WeakPolarHBondContact O-CB 3.24Å; D150-E154 PolarHBondContact O-N 3.28Å
151	K	91.7	Very high	91.8	Very high	108 Å²	108	79.2 Å²	79.2	47%	0.47	41%	0.414	S	S	.	.	H	α-helix	trans	-66.9	-41.4	175.5	-76.9	-179.1	178.4	-177.2	0	113.2	L147 V148 C149 I153 E154 E155	L147-K151 WeakPolarHBondContact O-CG 3.36Å; L147-K151 PolarHBondContact O-N 3.37Å; V148-K151 PolarHBondContact O-N 2.81Å; C149-K151 VanDerWaalsContact C-N 3.31Å; C149-K151 PolarHBondContact O-N 2.77Å; K151-I153 VanDerWaalsContact C-N 3.31Å; K151-E154 PolarHBondContact O-N 2.81Å; K151-E155 WeakPolarHBondContact O-CB 3.47Å; K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 3.12Å
152	V	91	Very high	91.8	Very high	41 Å²	41	77.2 Å²	77.2	25%	0.248	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-44.7	178	168.8	0	0	0	0	109.9	L128 V148 C149 A156 L164 M172	L128-V152 HydrophobicContact CD1-CB 4.1Å; L128-V152 HydrophobicContact CD1-CG1 3.81Å; L128-V152 HydrophobicContact CD2-CG1 4.02Å; V148-V152 HydrophobicContact CG1-CG2 4.35Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.46Å; V148-V152 PolarHBondContact O-N 3.16Å; C149-V152 PolarHBondContact O-N 2.81Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 2.82Å; V152-L164 HydrophobicContact CG1-CD1 4.13Å; V152-M172 HydrophobicContact CG1-SD 4.1Å
153	I	93	Very high	91.9	Very high	22 Å²	22	72.1 Å²	72.1	11%	0.113	39%	0.388	C	S	.	.	H	α-helix	trans	-65.1	-49.2	176.8	-64.7	170.6	0	0	0	110.2	K125 L128 C149 D150 K151 E155 A156 D157	K125-I153 HydrophobicContact CB-CD1 4Å; L128-I153 HydrophobicContact CD1-CD1 4.15Å; L128-I153 HydrophobicContact CD1-CG1 3.79Å; C149-I153 WeakPolarHBondContact O-CG1 3.45Å; C149-I153 PolarHBondContact O-N 2.78Å; D150-I153 PolarHBondContact O-N 3.34Å; K151-I153 VanDerWaalsContact C-N 3.31Å; I153-E155 PolarHBondContact O-N 3.14Å; I153-A156 PolarHBondContact O-N 2.73Å; I153-D157 HydrophobicContact CG2-CB 4.06Å; I153-D157 WeakPolarHBondContact O-CB 3.4Å; I153-D157 PolarHBondContact O-N 3.38Å
154	E	92	Very high	92	Very high	163 Å²	163	64.4 Å²	64.4	76%	0.762	35%	0.352	S	S	*	.	H	α-helix	trans	-56.8	-35	179.9	-175.3	-178.9	-171.2	0	0	113.3	D150 K151	D150-E154 VanDerWaalsContact O-CB 3.29Å; D150-E154 WeakPolarHBondContact O-CB 3.24Å; D150-E154 PolarHBondContact O-N 3.28Å; K151-E154 PolarHBondContact O-N 2.81Å
155	E	90.1	Very high	92.1	Very high	154 Å²	154	60.6 Å²	60.6	72%	0.72	34%	0.337	S	S	*	.	H	α-helix	trans	-87.2	-29.7	-178.8	-70.9	-172.6	172.3	0	0	114.4	K151 I153	K151-E155 WeakPolarHBondContact O-CB 3.47Å; K151-E155 WeakPolarHBondContact O-CG 3.42Å; K151-E155 PolarHBondContact O-N 3.12Å; I153-E155 PolarHBondContact O-N 3.14Å
156	A	91.3	Very high	92.2	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.025	35%	0.345	C	S	.	.	H	α-helix	trans	-104	-26.6	-171.6	0	0	0	0	0	114.1	V152 I153 L158 L164 D168 M172	V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 2.82Å; I153-A156 PolarHBondContact O-N 2.73Å; A156-L158 PolarHBondContact O-N 3.11Å; A156-L158 VanDerWaalsContact O-N 3.11Å; A156-L164 HydrophobicContact CB-CD1 3.99Å; A156-L164 HydrophobicContact CB-CD2 3.66Å; A156-L164 HydrophobicContact CB-CG 4.49Å; A156-D168 WeakPolarHBondContact O-CB 3.35Å; A156-M172 HydrophobicContact CB-CB 4.04Å; A156-M172 HydrophobicContact CB-CG 4.08Å; A156-M172 HydrophobicContact CB-SD 4Å
157	D	93.8	Very high	92.2	Very high	30 Å²	30	63.8 Å²	63.8	16%	0.16	36%	0.358	C	S	.	.			trans	-71.3	100.5	-179.1	-179.9	3.8	0	0	0	110.8	I153 D159 G160 D161 G162 L164	I153-D157 HydrophobicContact CG2-CB 4.06Å; I153-D157 WeakPolarHBondContact O-CB 3.4Å; I153-D157 PolarHBondContact O-N 3.38Å; D157-D159 PolarHBondContact OD1-N 3.01Å; D157-G160 WeakPolarHBondContact OD1-CA 3.43Å; D157-G160 PolarHBondContact OD1-N 3.19Å; D157-G160 VanDerWaalsContact OD2-C 3.32Å; D157-G160 VanDerWaalsContact OD2-CA 3.26Å; D157-G160 WeakPolarHBondContact OD2-CA 3.28Å; D157-D161 PolarHBondContact OD1-N 2.88Å; D157-D161 PolarHBondContact OD2-N 2.83Å; D157-G162 WeakPolarHBondContact OD2-CA 3.33Å; D157-G162 PolarHBondContact OD2-N 3.44Å; D157-L164 HydrophobicContact CB-CD2 3.94Å
158	L	91.7	Very high	92.3	Very high	107 Å²	107	59.7 Å²	59.7	56%	0.56	34%	0.337	S	S	*	.	S	Bend	trans	-82.9	-23.4	-175.3	-57.2	175.5	0	0	0	112.8	A156 D168 D171	A156-L158 PolarHBondContact O-N 3.11Å; A156-L158 VanDerWaalsContact O-N 3.11Å; L158-D168 WeakPolarHBondContact CB-OD1 3.49Å; L158-D168 WeakPolarHBondContact CG-OD1 3.5Å; L158-D168 PolarHBondContact N-OD1 3.28Å; L158-D171 HydrophobicContact CD1-CB 4.04Å
159	D	92.5	Very high	92.3	Very high	111 Å²	111	57.2 Å²	57.2	59%	0.594	32%	0.321	S	S	*	.	S	Bend	trans	-102.5	-13.4	-177	77.5	11.1	0	0	0	114	D157 D161	D157-D159 PolarHBondContact OD1-N 3.01Å; D159-D161 VanDerWaalsContact OD1-CB 3.32Å; D159-D161 WeakPolarHBondContact OD1-CB 3.37Å; D159-D161 PolarHBondContact OD1-N 3.48Å
160	G	90	Very high	92.2	Very high	61 Å²	61	60.8 Å²	60.8	63%	0.629	34%	0.338	S	S	*	.			trans	78.7	24.6	173.6	0	0	0	0	0	113.7	D157 G162	D157-G160 WeakPolarHBondContact OD1-CA 3.43Å; D157-G160 PolarHBondContact OD1-N 3.19Å; D157-G160 VanDerWaalsContact OD2-C 3.32Å; D157-G160 VanDerWaalsContact OD2-CA 3.26Å; D157-G160 WeakPolarHBondContact OD2-CA 3.28Å; G160-G162 VanDerWaalsContact C-N 3.32Å
161	D	92.2	Very high	92.1	Very high	71 Å²	71	60 Å²	60	38%	0.38	33%	0.334	S	S	.	.	S	Bend	trans	-85.3	-3.7	178.8	82.4	-3.5	0	0	0	114.1	D157 D159 K163	D157-D161 PolarHBondContact OD1-N 2.88Å; D157-D161 PolarHBondContact OD2-N 2.83Å; D159-D161 VanDerWaalsContact OD1-CB 3.32Å; D159-D161 WeakPolarHBondContact OD1-CB 3.37Å; D159-D161 PolarHBondContact OD1-N 3.48Å; D161-K163 VanDerWaalsContact CG-CG 3.49Å; D161-K163 WeakPolarHBondContact OD1-CG 3.43Å; D161-K163 PolarHBondContact OD1-N 3.33Å; D161-K163 WeakPolarHBondContact OD2-CE 3.5Å; D161-K163 WeakPolarHBondContact OD2-CG 3.46Å; D161-K163 IonicContact OD2-NZ 3.64Å
162	G	91	Very high	92	Very high	42 Å²	42	57.5 Å²	57.5	43%	0.433	32%	0.324	S	S	.	.	S	Bend	trans	84.3	11.8	176.1	0	0	0	0	0	114.4	D157 G160	D157-G162 WeakPolarHBondContact OD2-CA 3.33Å; D157-G162 PolarHBondContact OD2-N 3.44Å; G160-G162 VanDerWaalsContact C-N 3.32Å
163	K	93.5	Very high	91.8	Very high	59 Å²	59	55.9 Å²	55.9	26%	0.257	31%	0.314	S	S	.	.	S	Bend	trans	-145	164.5	178.1	53.7	-178.1	-173.5	163.7	0	108.9	F122 C124 D161	F122-K163 HydrophobicContact CB-CB 4.15Å; F122-K163 HydrophobicContact CB-CD 3.74Å; F122-K163 HydrophobicContact CB-CG 4.15Å; F122-K163 HydrophobicContact CD1-CD 3.56Å; F122-K163 HydrophobicContact CD1-CG 3.85Å; F122-K163 HydrophobicContact CD2-CD 4.11Å; F122-K163 VanDerWaalsContact CD2-NZ 3.33Å; F122-K163 HydrophobicContact CE1-CD 4.19Å; F122-K163 VanDerWaalsContact CE1-CE 3.47Å; F122-K163 VanDerWaalsContact CE1-NZ 3.34Å; F122-K163 HydrophobicContact CG-CD 3.52Å; F122-K163 HydrophobicContact CG-CG 4.16Å; C124-K163 HydrophobicContact CB-CB 4.5Å; D161-K163 VanDerWaalsContact CG-CG 3.49Å; D161-K163 WeakPolarHBondContact OD1-CG 3.43Å; D161-K163 PolarHBondContact OD1-N 3.33Å; D161-K163 WeakPolarHBondContact OD2-CE 3.5Å; D161-K163 WeakPolarHBondContact OD2-CG 3.46Å; D161-K163 IonicContact OD2-NZ 3.64Å
164	L	93.8	Very high	91.4	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-104.2	111.8	-177.3	-51.2	-180	0	0	0	109.7	F122 I123 V152 A156 D157 D168 M172	F122-L164 CarbonylContact C-O 3.56Å; F122-L164 WeakPolarHBondContact CA-O 3.29Å; I123-L164 HydrophobicContact CB-CB 4.2Å; I123-L164 PolarHBondContact N-O 3.47Å; I123-L164 PolarHBondContact O-N 2.95Å; V152-L164 HydrophobicContact CG1-CD1 4.13Å; A156-L164 HydrophobicContact CB-CD1 3.99Å; A156-L164 HydrophobicContact CB-CD2 3.66Å; A156-L164 HydrophobicContact CB-CG 4.49Å; D157-L164 HydrophobicContact CB-CD2 3.94Å; L164-D168 HydrophobicContact CB-CB 4.11Å; L164-D168 HydrophobicContact CD2-CB 4.11Å; L164-M172 HydrophobicContact CD1-SD 4.35Å
165	G	94.6	Very high	91.1	Very high	10 Å²	10	57 Å²	57	10%	0.103	33%	0.329	C	S	.	.			trans	-71.9	175.7	166.6	0	0	0	0	0	111.5	A167 D168 F169	G165-A167 PolarHBondContact O-N 3.33Å; G165-D168 WeakPolarHBondContact CA-OD2 3.48Å; G165-D168 PolarHBondContact N-OD2 3.17Å; G165-D168 PolarHBondContact O-N 2.94Å; G165-F169 WeakPolarHBondContact O-CB 3.4Å; G165-F169 PolarHBondContact O-N 3.43Å
166	F	93.2	Very high	90.7	Very high	67 Å²	67	51.6 Å²	51.6	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-36.6	178.2	-177.4	-107.6	0	0	0	112.7	A108 N109 F112 E170	A108-F166 HydrophobicContact CB-CE2 4.48Å; A108-F166 HydrophobicContact CB-CZ 4.49Å; N109-F166 HydrophobicContact CB-CE2 4.25Å; N109-F166 HydrophobicContact CB-CZ 4.39Å; F112-F166 HydrophobicContact CB-CD2 4.06Å; F112-F166 HydrophobicContact CB-CE2 4.34Å; F112-F166 HydrophobicContact CD1-CD2 4.31Å; F112-F166 HydrophobicContact CD2-CD2 4.27Å; F112-F166 AromaticContact CG-CD2 3.96Å; F112-F166 HydrophobicContact CG-CD2 3.96Å; F166-E170 VanDerWaalsContact O-CB 3.24Å; F166-E170 WeakPolarHBondContact O-CB 3.46Å; F166-E170 PolarHBondContact O-N 3.06Å
167	A	92.6	Very high	89.8	Confident	65 Å²	65	55.2 Å²	55.2	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-42.2	178.5	0	0	0	0	0	112.3	G165 E170 D171	G165-A167 PolarHBondContact O-N 3.33Å; A167-E170 PolarHBondContact O-N 3.25Å; A167-D171 PolarHBondContact O-N 3.12Å
168	D	93.7	Very high	89	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.048	36%	0.36	C	S	.	.	H	α-helix	trans	-63.7	-46.3	176.1	-53.5	-59.6	0	0	0	110.8	A156 L158 L164 G165 E170 D171 M172	A156-D168 WeakPolarHBondContact O-CB 3.35Å; L158-D168 WeakPolarHBondContact CB-OD1 3.49Å; L158-D168 WeakPolarHBondContact CG-OD1 3.5Å; L158-D168 PolarHBondContact N-OD1 3.28Å; L164-D168 HydrophobicContact CB-CB 4.11Å; L164-D168 HydrophobicContact CD2-CB 4.11Å; G165-D168 WeakPolarHBondContact CA-OD2 3.48Å; G165-D168 PolarHBondContact N-OD2 3.17Å; G165-D168 PolarHBondContact O-N 2.94Å; D168-E170 PolarHBondContact O-N 3.09Å; D168-D171 PolarHBondContact O-N 3.3Å; D168-M172 WeakPolarHBondContact O-CB 3.46Å; D168-M172 PolarHBondContact O-N 3.49Å
169	F	91.6	Very high	88.3	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-42.3	176.6	-176.9	-100.4	0	0	0	112	A111 F112 Y115 I123 G165 M172 I173	A111-F169 HydrophobicContact CB-CE1 4.11Å; A111-F169 HydrophobicContact CB-CZ 4.07Å; F112-F169 HydrophobicContact CB-CD1 3.91Å; F112-F169 HydrophobicContact CB-CE1 3.99Å; F112-F169 HydrophobicContact CD2-CB 3.61Å; F112-F169 AromaticContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD1 3.75Å; F112-F169 HydrophobicContact CD2-CD2 4.24Å; F112-F169 HydrophobicContact CD2-CE1 4.48Å; F112-F169 AromaticContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CD2-CG 3.61Å; F112-F169 HydrophobicContact CE2-CB 3.92Å; F112-F169 HydrophobicContact CE2-CG 4.34Å; F112-F169 HydrophobicContact CG-CD1 4.33Å; Y115-F169 AromaticContact CD2-CE2 3.95Å; Y115-F169 HydrophobicContact CD2-CE2 3.95Å; Y115-F169 AromaticContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CD2-CZ 3.84Å; Y115-F169 HydrophobicContact CE2-CE2 4.44Å; Y115-F169 HydrophobicContact CE2-CZ 4.16Å; I123-F169 HydrophobicContact CD1-CD2 3.38Å; I123-F169 HydrophobicContact CD1-CE2 3.69Å; I123-F169 HydrophobicContact CD1-CG 4.04Å; G165-F169 WeakPolarHBondContact O-CB 3.4Å; G165-F169 PolarHBondContact O-N 3.43Å; F169-M172 HydrophobicContact CD2-CE 3.49Å; F169-M172 VanDerWaalsContact CD2-CE 3.49Å; F169-M172 HydrophobicContact CE2-CE 3.59Å; F169-M172 HydrophobicContact CG-CE 4.48Å; F169-M172 WeakPolarHBondContact O-CB 3.15Å; F169-M172 PolarHBondContact O-N 3.45Å; F169-I173 HydrophobicContact CD1-CD1 4.27Å; F169-I173 HydrophobicContact CD1-CG2 4.24Å; F169-I173 HydrophobicContact CD2-CG2 4.48Å; F169-I173 HydrophobicContact CE1-CD1 4.08Å; F169-I173 HydrophobicContact CE1-CG2 3.81Å; F169-I173 HydrophobicContact CE2-CG2 4.08Å; F169-I173 HydrophobicContact CZ-CG2 3.71Å; F169-I173 WeakPolarHBondContact O-CG1 3.18Å; F169-I173 WeakPolarHBondContact O-CG2 3.16Å; F169-I173 PolarHBondContact O-N 2.96Å
170	E	91	Very high	87.2	Confident	75 Å²	75	52.8 Å²	52.8	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-43	177.4	-174.6	174.2	-131.8	0	0	111.8	F166 A167 D168 I173 A174	F166-E170 VanDerWaalsContact O-CB 3.24Å; F166-E170 WeakPolarHBondContact O-CB 3.46Å; F166-E170 PolarHBondContact O-N 3.06Å; A167-E170 PolarHBondContact O-N 3.25Å; D168-E170 PolarHBondContact O-N 3.09Å; E170-I173 WeakPolarHBondContact O-CG1 3.28Å; E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.41Å; E170-A174 PolarHBondContact O-N 3.26Å
171	D	90.5	Very high	86.2	Confident	55 Å²	55	53 Å²	53	29%	0.294	31%	0.312	S	S	.	.	H	α-helix	trans	-64.9	-41.3	174.8	-173.8	61.4	0	0	0	111.5	L158 A167 D168 A174 K175	L158-D171 HydrophobicContact CD1-CB 4.04Å; A167-D171 PolarHBondContact O-N 3.12Å; D168-D171 PolarHBondContact O-N 3.3Å; D171-A174 PolarHBondContact O-N 2.95Å; D171-K175 WeakPolarHBondContact O-CG 3.06Å; D171-K175 PolarHBondContact O-N 3.12Å; D171-K175 VanDerWaalsContact O-N 3.14Å; D171-K175 WeakPolarHBondContact OD2-CE 3.23Å; D171-K175 IonicContact OD2-NZ 2.61Å; D171-K175 PolarHBondContact OD2-NZ 3.45Å
172	M	89	Confident	85.2	Confident	55 Å²	55	54.6 Å²	54.6	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-51	176.7	-175.6	-170.1	70.8	0	0	112	V152 A156 L164 D168 F169 A174 K175 A176	V152-M172 HydrophobicContact CG1-SD 4.1Å; A156-M172 HydrophobicContact CB-CB 4.04Å; A156-M172 HydrophobicContact CB-CG 4.08Å; A156-M172 HydrophobicContact CB-SD 4Å; L164-M172 HydrophobicContact CD1-SD 4.35Å; D168-M172 WeakPolarHBondContact O-CB 3.46Å; D168-M172 PolarHBondContact O-N 3.49Å; F169-M172 HydrophobicContact CD2-CE 3.49Å; F169-M172 VanDerWaalsContact CD2-CE 3.49Å; F169-M172 HydrophobicContact CE2-CE 3.59Å; F169-M172 HydrophobicContact CG-CE 4.48Å; F169-M172 WeakPolarHBondContact O-CB 3.15Å; F169-M172 PolarHBondContact O-N 3.45Å; M172-A174 VanDerWaalsContact C-N 3.29Å; M172-A174 PolarHBondContact O-N 2.79Å; M172-K175 PolarHBondContact O-N 3.49Å; M172-A176 PolarHBondContact O-N 3.43Å
173	I	87.5	Confident	84.3	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.036	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-27.6	179.2	66	-178.3	0	0	0	112.2	A108 F169 E170 K175 A176 F179 L180	A108-I173 HydrophobicContact CB-CD1 3.19Å; F169-I173 HydrophobicContact CD1-CD1 4.27Å; F169-I173 HydrophobicContact CD1-CG2 4.24Å; F169-I173 HydrophobicContact CD2-CG2 4.48Å; F169-I173 HydrophobicContact CE1-CD1 4.08Å; F169-I173 HydrophobicContact CE1-CG2 3.81Å; F169-I173 HydrophobicContact CE2-CG2 4.08Å; F169-I173 HydrophobicContact CZ-CG2 3.71Å; F169-I173 WeakPolarHBondContact O-CG1 3.18Å; F169-I173 WeakPolarHBondContact O-CG2 3.16Å; F169-I173 PolarHBondContact O-N 2.96Å; E170-I173 WeakPolarHBondContact O-CG1 3.28Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.84Å; I173-A176 CarbonylContact O-C 3.28Å; I173-A176 VanDerWaalsContact O-C 3.28Å; I173-A176 PolarHBondContact O-N 3.05Å; I173-A176 VanDerWaalsContact O-N 3.12Å; I173-F179 HydrophobicContact CB-CD1 4.25Å; I173-F179 HydrophobicContact CG2-CD1 3.75Å; I173-F179 HydrophobicContact CG2-CE1 4.17Å; I173-F179 HydrophobicContact CG2-CG 4.45Å; I173-L180 HydrophobicContact CD1-CD1 4.45Å; I173-L180 HydrophobicContact CD1-CD2 4.4Å
174	A	84.8	Confident	83.4	Confident	74 Å²	74	53.7 Å²	53.7	61%	0.612	31%	0.309	S	S	*	.	H	α-helix	trans	-66.4	-32.5	174.6	0	0	0	0	0	111.6	E170 D171 M172 A176	E170-A174 VanDerWaalsContact O-CB 3.27Å; E170-A174 WeakPolarHBondContact O-CB 3.41Å; E170-A174 PolarHBondContact O-N 3.26Å; D171-A174 PolarHBondContact O-N 2.95Å; M172-A174 VanDerWaalsContact C-N 3.29Å; M172-A174 PolarHBondContact O-N 2.79Å; A174-A176 VanDerWaalsContact C-N 3.34Å
175	K	84.3	Confident	82.5	Confident	134 Å²	134	54.6 Å²	54.6	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-76.1	-19.2	171.7	-65.8	169.8	-170.3	162.5	0	113.2	D171 M172 I173 P177	D171-K175 WeakPolarHBondContact O-CG 3.06Å; D171-K175 PolarHBondContact O-N 3.12Å; D171-K175 VanDerWaalsContact O-N 3.14Å; D171-K175 WeakPolarHBondContact OD2-CE 3.23Å; D171-K175 IonicContact OD2-NZ 2.61Å; D171-K175 PolarHBondContact OD2-NZ 3.45Å; M172-K175 PolarHBondContact O-N 3.49Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 2.84Å; K175-P177 VanDerWaalsContact C-CD 3.47Å; K175-P177 WeakPolarHBondContact O-CD 3.14Å
176	A	82.7	Confident	81.3	Confident	42 Å²	42	62.9 Å²	62.9	35%	0.347	34%	0.342	S	S	.	.			trans	-112.5	73	-179.4	0	0	0	0	0	112.4	M172 I173 A174 D178 F179	M172-A176 PolarHBondContact O-N 3.43Å; I173-A176 CarbonylContact O-C 3.28Å; I173-A176 VanDerWaalsContact O-C 3.28Å; I173-A176 PolarHBondContact O-N 3.05Å; I173-A176 VanDerWaalsContact O-N 3.12Å; A174-A176 VanDerWaalsContact C-N 3.34Å; A176-D178 PolarHBondContact O-N 2.91Å; A176-F179 HydrophobicContact CB-CB 4.25Å; A176-F179 VanDerWaalsContact O-CB 3.29Å; A176-F179 WeakPolarHBondContact O-CB 3.29Å; A176-F179 PolarHBondContact O-N 2.91Å
177	P	71.9	Confident	79.7	Confident	79 Å²	79	65 Å²	65	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-26.1	-174.4	23.6	-34	0	0	0	114	K175 F179	K175-P177 VanDerWaalsContact C-CD 3.47Å; K175-P177 WeakPolarHBondContact O-CD 3.14Å; P177-F179 VanDerWaalsContact C-N 3.3Å; P177-F179 PolarHBondContact O-N 2.8Å
178	D	78.1	Confident	79	Confident	128 Å²	128	65 Å²	65	68%	0.684	35%	0.346	S	S	*	.	H	α-helix	trans	-69.5	-27.7	178.4	-65.8	-23.8	0	0	0	112.3	A176 S181 T182	A176-D178 PolarHBondContact O-N 2.91Å; D178-S181 WeakPolarHBondContact O-CB 3.25Å; D178-S181 PolarHBondContact O-N 2.93Å; D178-S181 PolarHBondContact O-OG 2.84Å; D178-T182 PolarHBondContact O-N 3.03Å
179	F	76.6	Confident	78.3	Confident	50 Å²	50	67.9 Å²	67.9	22%	0.219	36%	0.361	C	S	.	.	H	α-helix	trans	-59.7	-56.4	-179.1	179.2	-96.7	0	0	0	111.4	A111 Y115 I173 A176 P177 S181 T182 F183	A111-F179 HydrophobicContact CB-CE1 4.1Å; A111-F179 HydrophobicContact CB-CZ 4.4Å; Y115-F179 HydrophobicContact CE2-CE1 4.4Å; Y115-F179 HydrophobicContact CE2-CE2 4Å; Y115-F179 AromaticContact CE2-CZ 3.48Å; Y115-F179 HydrophobicContact CE2-CZ 3.48Å; Y115-F179 VanDerWaalsContact CE2-CZ 3.48Å; Y115-F179 AromaticContact CZ-CE2 3.97Å; Y115-F179 AromaticContact CZ-CZ 3.83Å; Y115-F179 WeakPolarHBondContact OH-CE2 3.32Å; Y115-F179 VanDerWaalsContact OH-CZ 3.31Å; Y115-F179 WeakPolarHBondContact OH-CZ 3.4Å; I173-F179 HydrophobicContact CB-CD1 4.25Å; I173-F179 HydrophobicContact CG2-CD1 3.75Å; I173-F179 HydrophobicContact CG2-CE1 4.17Å; I173-F179 HydrophobicContact CG2-CG 4.45Å; A176-F179 HydrophobicContact CB-CB 4.25Å; A176-F179 VanDerWaalsContact O-CB 3.29Å; A176-F179 WeakPolarHBondContact O-CB 3.29Å; A176-F179 PolarHBondContact O-N 2.91Å; P177-F179 VanDerWaalsContact C-N 3.3Å; P177-F179 PolarHBondContact O-N 2.8Å; F179-S181 PolarHBondContact O-N 2.8Å; F179-T182 PolarHBondContact O-N 3.34Å; F179-T182 VanDerWaalsContact O-N 3.09Å; F179-T182 PolarHBondContact O-OG1 2.69Å; F179-F183 HydrophobicContact CE1-CD2 4.24Å; F179-F183 AromaticContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CE2 4.34Å; F179-F183 PolarHBondContact O-N 3.02Å; F179-F183 VanDerWaalsContact O-N 3.16Å
180	L	68.7	Low	77.5	Confident	19 Å²	19	71.3 Å²	71.3	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-66.8	-23.5	179.6	-68.6	176.5	0	0	0	112.8	R104 K107 I173 T182	R104-L180 HydrophobicContact CB-CD1 3.86Å; R104-L180 HydrophobicContact CG-CD1 3.97Å; K107-L180 HydrophobicContact CB-CD2 4.07Å; I173-L180 HydrophobicContact CD1-CD1 4.45Å; I173-L180 HydrophobicContact CD1-CD2 4.4Å; L180-T182 VanDerWaalsContact C-N 3.31Å
181	S	68.5	Low	76.7	Confident	65 Å²	65	71.1 Å²	71.1	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-70.3	-28.6	175.7	85.3	0	0	0	0	112.4	D178 F179 H184	D178-S181 WeakPolarHBondContact O-CB 3.25Å; D178-S181 PolarHBondContact O-N 2.93Å; D178-S181 PolarHBondContact O-OG 2.84Å; F179-S181 PolarHBondContact O-N 2.8Å; S181-H184 PolarHBondContact O-CE1 3.3Å; S181-H184 PolarHBondContact O-ND1 3.46Å
182	T	71.1	Confident	75.9	Confident	104 Å²	104	72.1 Å²	72.1	64%	0.638	39%	0.387	S	S	*	.	H	α-helix	trans	-91.8	-17.2	177	61.2	0	0	0	0	112.6	D178 F179 L180 H184	D178-T182 PolarHBondContact O-N 3.03Å; F179-T182 PolarHBondContact O-N 3.34Å; F179-T182 VanDerWaalsContact O-N 3.09Å; F179-T182 PolarHBondContact O-OG1 2.69Å; L180-T182 VanDerWaalsContact C-N 3.31Å; T182-H184 VanDerWaalsContact C-N 3.26Å; T182-H184 PolarHBondContact O-N 3.22Å
183	F	73.8	Confident	75	Confident	25 Å²	25	73.3 Å²	73.3	11%	0.11	40%	0.395	C	S	.	.			trans	-80.3	62.4	177.6	-152.7	-93.8	0	0	0	112.8	L98 K107 A111 I114 F179	L98-F183 HydrophobicContact CD2-CD1 4.17Å; L98-F183 HydrophobicContact CD2-CE1 3.78Å; K107-F183 HydrophobicContact CB-CD1 4.44Å; A111-F183 HydrophobicContact CB-CD1 4.44Å; A111-F183 HydrophobicContact CB-CD2 4.41Å; A111-F183 HydrophobicContact CB-CE1 3.94Å; A111-F183 HydrophobicContact CB-CE2 3.91Å; A111-F183 HydrophobicContact CB-CZ 3.64Å; I114-F183 HydrophobicContact CD1-CE1 4.44Å; I114-F183 HydrophobicContact CD1-CZ 3.63Å; F179-F183 HydrophobicContact CE1-CD2 4.24Å; F179-F183 AromaticContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CD2 3.84Å; F179-F183 HydrophobicContact CZ-CE2 4.34Å; F179-F183 PolarHBondContact O-N 3.02Å; F179-F183 VanDerWaalsContact O-N 3.16Å
184	H	74.7	Confident	74.1	Confident	57 Å²	57	78 Å²	78	26%	0.264	42%	0.421	S	S	.	.			trans	-147.1	152.7	172.8	68	-92.2	0	0	0	112.2	L98 S181 T182	L98-H184 CarbonylContact O-C 3.51Å; L98-H184 WeakPolarHBondContact O-CA 3.26Å; L98-H184 VanDerWaalsContact O-CB 3.31Å; L98-H184 WeakPolarHBondContact O-CB 3.38Å; S181-H184 PolarHBondContact O-CE1 3.3Å; S181-H184 PolarHBondContact O-ND1 3.46Å; T182-H184 VanDerWaalsContact C-N 3.26Å; T182-H184 PolarHBondContact O-N 3.22Å
185	I	73.2	Confident	73.3	Confident	20 Å²	20	78.3 Å²	78.3	10%	0.103	41%	0.406	C	S	.	.			trans	-118	133.3	174.9	-61.1	-170.7	0	0	0	108.9	E64 L65 F95 L98	E64-I185 HydrophobicContact CB-CG2 3.66Å; E64-I185 HydrophobicContact CG-CG2 4.13Å; L65-I185 HydrophobicContact CD2-CD1 3.39Å; L65-I185 HydrophobicContact CG-CD1 4.25Å; F95-I185 HydrophobicContact CD1-CG2 4.41Å; F95-I185 HydrophobicContact CE1-CG2 3.84Å; L98-I185 HydrophobicContact CB-CB 4.12Å; L98-I185 HydrophobicContact CB-CG1 4.18Å; L98-I185 HydrophobicContact CD1-CD1 3.56Å; L98-I185 HydrophobicContact CD1-CG1 4.05Å; L98-I185 PolarHBondContact O-N 3.41Å
186	R	70.5	Confident	72.4	Confident	185 Å²	185	73.7 Å²	73.7	70%	0.698	39%	0.391	S	S	*	.			trans	-98.2	131.4	176.3	-63.2	-176.6	-179	-171.6	-4.6	109.8
187	I	58.7	Low	71.4	Confident	110 Å²	110	76.5 Å²	76.5	56%	0.564	40%	0.395	S	S	*	.			trans	-104.7	0	174.2	-51.1	172.8	0	0	0	109.6	F22 L30 F95	F22-I187 HydrophobicContact CZ-CD1 4.39Å; L30-I187 HydrophobicContact CD2-CD1 3.58Å; L30-I187 HydrophobicContact CG-CD1 4.5Å; F95-I187 HydrophobicContact CB-CD1 3.61Å; F95-I187 HydrophobicContact CD1-CD1 3.13Å; F95-I187 HydrophobicContact CD1-CG1 3.45Å; F95-I187 VanDerWaalsContact CD1-CG1 3.45Å; F95-I187 HydrophobicContact CD2-CD1 4.15Å; F95-I187 HydrophobicContact CE1-CD1 3.76Å; F95-I187 HydrophobicContact CE1-CG1 3.64Å; F95-I187 HydrophobicContact CG-CD1 3.35Å; F95-I187 HydrophobicContact CG-CG1 4.18Å

Retrieved 187 of 187 residues in 39.2 ms (Link to these results)

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