A0A077YZR1_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YZR1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 392 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	35.3	Very low	35.5	Very low	240 Å²	240	124.7 Å²	124.7	100%	1.182	84%	0.843	S	S	*	*				0	106.8	0	-72.1	166.9	168	0	0	107.3
2	N	36.1	Very low	36.8	Very low	173 Å²	173	125.5 Å²	125.5	93%	0.925	84%	0.841	S	S	*	*			trans	-131.3	115	169.7	-108.3	-4.2	0	0	0	108	G4	N2-G4 PolarHBondContact O-N 3.46Å
3	N	36.2	Very low	38.7	Very low	163 Å²	163	134.2 Å²	134.2	87%	0.872	85%	0.846	S	S	*	*			trans	-67.8	116.8	-178.7	-79.8	-22.5	0	0	0	110	S5	N3-S5 PolarHBondContact O-N 3.37Å
4	G	33.8	Very low	41.4	Very low	78 Å²	78	133 Å²	133	80%	0.804	83%	0.825	S	S	*	*			trans	-69.5	110.6	164.6	0	0	0	0	0	109.4	N2 S6	N2-G4 PolarHBondContact O-N 3.46Å; G4-S6 PolarHBondContact O-N 2.94Å
5	S	36.4	Very low	44.7	Very low	119 Å²	119	129.6 Å²	129.6	83%	0.832	80%	0.803	S	S	*	*			trans	-74.3	111.9	169.7	25.9	0	0	0	0	108.6	N3 S7	N3-S5 PolarHBondContact O-N 3.37Å; S5-S7 PolarHBondContact O-N 3.46Å
6	S	33.5	Very low	47.7	Very low	117 Å²	117	124.9 Å²	124.9	82%	0.818	77%	0.771	S	S	*	*			trans	-68.6	104.7	171.9	38.4	0	0	0	0	109.9	G4 S8	G4-S6 PolarHBondContact O-N 2.94Å; S6-S8 PolarHBondContact O-N 3.17Å
7	S	33.9	Very low	50.3	Low	107 Å²	107	117.8 Å²	117.8	75%	0.748	73%	0.727	S	S	*	*			trans	-67.8	107.4	165.7	53.7	0	0	0	0	109.1	S5 S9	S5-S7 PolarHBondContact O-N 3.46Å; S7-S9 PolarHBondContact O-N 2.86Å; S7-S9 VanDerWaalsContact O-N 3.14Å
8	S	33.6	Very low	52.7	Low	119 Å²	119	112.2 Å²	112.2	83%	0.832	70%	0.696	S	S	*	*			trans	-71.1	99.7	171.1	41.1	0	0	0	0	109.5	S6 G10	S6-S8 PolarHBondContact O-N 3.17Å; S8-G10 PolarHBondContact O-N 3.42Å
9	S	39.2	Very low	54.7	Low	114 Å²	114	114.4 Å²	114.4	80%	0.797	70%	0.703	S	S	*	*			trans	-62.5	102	169.5	-54.6	0	0	0	0	109	S7 G11	S7-S9 PolarHBondContact O-N 2.86Å; S7-S9 VanDerWaalsContact O-N 3.14Å; S9-G11 VanDerWaalsContact C-N 3.27Å; S9-G11 PolarHBondContact O-N 3.19Å
10	G	33.5	Very low	56.8	Low	75 Å²	75	112.9 Å²	112.9	77%	0.773	69%	0.686	S	S	*	*			trans	-64.3	85.4	173	0	0	0	0	0	110.5	S8 T12	S8-G10 PolarHBondContact O-N 3.42Å; G10-T12 PolarHBondContact O-N 3.03Å
11	G	38.8	Very low	58.7	Low	67 Å²	67	107.8 Å²	107.8	69%	0.691	65%	0.654	S	S	*	*			trans	-62.9	105.4	173.9	0	0	0	0	0	109.7	S9 R13	S9-G11 VanDerWaalsContact C-N 3.27Å; S9-G11 PolarHBondContact O-N 3.19Å; G11-R13 PolarHBondContact O-N 2.89Å
12	T	50.9	Low	61.7	Low	134 Å²	134	100.5 Å²	100.5	82%	0.822	61%	0.614	S	S	*	*			trans	-56.3	109	165.1	37.7	0	0	0	0	107.8	G10 E14	G10-T12 PolarHBondContact O-N 3.03Å; T12-E14 PolarHBondContact O-N 2.78Å
13	R	61.8	Low	64.5	Low	239 Å²	239	93.6 Å²	93.6	90%	0.902	58%	0.577	S	S	*	*			trans	-51	113.3	177.8	-78.1	-179.7	173.3	175.4	-2.3	109.2	G11 T15	G11-R13 PolarHBondContact O-N 2.89Å; R13-T15 PolarHBondContact O-N 2.87Å; R13-T15 VanDerWaalsContact O-N 3.16Å
14	E	77.1	Confident	67.3	Low	117 Å²	117	89.4 Å²	89.4	55%	0.547	55%	0.553	S	S	.	*			trans	-59.9	118.7	174	-70.6	-165.1	141.4	0	0	108.8	T12 R22	T12-E14 PolarHBondContact O-N 2.78Å; E14-R22 VanDerWaalsContact OE1-CD 3.31Å; E14-R22 WeakPolarHBondContact OE1-CD 3.4Å; E14-R22 IonicContact OE1-NH1 3.91Å; E14-R22 PolarHBondContact OE1-NH1 3.12Å; E14-R22 VanDerWaalsContact OE1-NH1 3.08Å
15	T	89.9	Confident	70.2	Confident	82 Å²	82	92 Å²	92	50%	0.503	54%	0.539	S	S	.	.			trans	-87.7	113.9	175.6	-55.3	0	0	0	0	108.4	R13 I23	R13-T15 PolarHBondContact O-N 2.87Å; R13-T15 VanDerWaalsContact O-N 3.16Å; T15-I23 HydrophobicContact CG2-CD1 3.9Å; T15-I23 PolarHBondContact O-N 3.38Å
16	I	92.7	Very high	72.9	Confident	55 Å²	55	93 Å²	93	28%	0.282	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.2	-179.6	-61.3	171.3	0	0	0	108.3	Y21 K41	I16-Y21 CarbonylContact C-O 3.51Å; I16-Y21 WeakPolarHBondContact CA-O 3.35Å; I16-K41 HydrophobicContact CD1-CD 4.08Å; I16-K41 HydrophobicContact CG1-CD 4.5Å; I16-K41 HydrophobicContact CG2-CD 4.42Å
17	V	93.4	Very high	75.7	Confident	4 Å²	4	90 Å²	90	2%	0.024	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.1	177.8	-57.7	0	0	0	0	111.1	N19 K20 Y21 I23 V49 E86 I91 V93	V17-N19 PolarHBondContact O-N 3.42Å; V17-N19 VanDerWaalsContact O-N 3.16Å; V17-K20 PolarHBondContact O-N 3.43Å; V17-K20 VanDerWaalsContact O-N 3.16Å; V17-Y21 PolarHBondContact N-O 2.89Å; V17-Y21 PolarHBondContact O-N 2.8Å; V17-I23 HydrophobicContact CG1-CD1 3.71Å; V17-I23 HydrophobicContact CG1-CG1 4.24Å; V17-I23 HydrophobicContact CG2-CG1 4.47Å; V17-V49 HydrophobicContact CG2-CG1 4.15Å; V17-E86 WeakPolarHBondContact CA-OE2 3.41Å; V17-I91 HydrophobicContact CB-CD1 4.12Å; V17-I91 HydrophobicContact CB-CG2 4.42Å; V17-I91 HydrophobicContact CG1-CD1 3.77Å; V17-I91 HydrophobicContact CG2-CG2 4.29Å; V17-V93 HydrophobicContact CG2-CG2 4.42Å
18	G	91.9	Very high	78.2	Confident	17 Å²	17	85.7 Å²	85.7	18%	0.175	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	24.8	-177.2	0	0	0	0	0	113.6	K20 W82 E86	G18-K20 WeakPolarHBondContact O-CB 3.45Å; G18-K20 PolarHBondContact O-N 3.03Å; G18-W82 VanDerWaalsContact CA-CZ2 3.45Å; G18-E86 WeakPolarHBondContact CA-OE1 3.12Å; G18-E86 PolarHBondContact N-OE1 3.33Å
19	N	92.3	Very high	80.5	Confident	154 Å²	154	82.4 Å²	82.4	82%	0.824	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	15	-171.9	-65.7	-35.1	0	0	0	115.3	V17	V17-N19 PolarHBondContact O-N 3.42Å; V17-N19 VanDerWaalsContact O-N 3.16Å
20	K	95.5	Very high	81.8	Confident	83 Å²	83	79.1 Å²	79.1	36%	0.361	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-32.2	-168.4	-172.6	176.2	-179.5	-167.9	0	113.9	V17 G18 N40 K41	V17-K20 PolarHBondContact O-N 3.43Å; V17-K20 VanDerWaalsContact O-N 3.16Å; G18-K20 WeakPolarHBondContact O-CB 3.45Å; G18-K20 PolarHBondContact O-N 3.03Å; K20-N40 VanDerWaalsContact CE-ND2 3.25Å; K20-N40 WeakPolarHBondContact CE-ND2 3.25Å; K20-N40 WeakPolarHBondContact CE-OD1 3.19Å; K20-K41 WeakPolarHBondContact O-CB 3.4Å; K20-K41 WeakPolarHBondContact O-CG 3.2Å; K20-K41 PolarHBondContact O-N 2.7Å
21	Y	97.4	Very high	83.3	Confident	7 Å²	7	79.2 Å²	79.2	3%	0.027	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.5	-172.4	-53.7	-82.4	0	0	0	110.4	I16 V17 I39 N40 V47 W82 V93	I16-Y21 CarbonylContact C-O 3.51Å; I16-Y21 WeakPolarHBondContact CA-O 3.35Å; V17-Y21 PolarHBondContact N-O 2.89Å; V17-Y21 PolarHBondContact O-N 2.8Å; Y21-I39 CarbonylContact C-O 3.47Å; Y21-I39 WeakPolarHBondContact CA-O 3.31Å; Y21-N40 HydrophobicContact CD1-CB 3.88Å; Y21-N40 HydrophobicContact CE1-CB 3.84Å; Y21-V47 HydrophobicContact CD1-CG1 4.26Å; Y21-V47 HydrophobicContact CD1-CG2 3.79Å; Y21-V47 HydrophobicContact CE1-CG1 4.16Å; Y21-V47 HydrophobicContact CE1-CG2 4.43Å; Y21-V47 HydrophobicContact CG-CG2 4.47Å; Y21-W82 HydrophobicContact CE2-CB 3.72Å; Y21-W82 HydrophobicContact CE2-CG 4.25Å; Y21-V93 HydrophobicContact CD1-CG1 3.91Å; Y21-V93 HydrophobicContact CD2-CB 4.46Å; Y21-V93 HydrophobicContact CD2-CG1 4.19Å; Y21-V93 HydrophobicContact CD2-CG2 3.96Å; Y21-V93 HydrophobicContact CE1-CG1 3.86Å; Y21-V93 HydrophobicContact CE2-CB 4.38Å; Y21-V93 HydrophobicContact CE2-CG1 4.14Å; Y21-V93 HydrophobicContact CE2-CG2 4.29Å; Y21-V93 HydrophobicContact CG-CG1 4.07Å; Y21-V93 HydrophobicContact CG-CG2 4.3Å
22	R	97.1	Very high	84.8	Confident	86 Å²	86	78.5 Å²	78.5	33%	0.325	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.4	174.2	-179.5	178.8	61.1	171.9	0	109.2	E14 I24 G38 I39 K41	E14-R22 VanDerWaalsContact OE1-CD 3.31Å; E14-R22 WeakPolarHBondContact OE1-CD 3.4Å; E14-R22 IonicContact OE1-NH1 3.91Å; E14-R22 PolarHBondContact OE1-NH1 3.12Å; E14-R22 VanDerWaalsContact OE1-NH1 3.08Å; R22-I24 HydrophobicContact CG-CD1 4.1Å; R22-G38 CarbonylContact O-C 3.18Å; R22-G38 WeakPolarHBondContact O-CA 3.2Å; R22-I39 PolarHBondContact N-O 3.42Å; R22-I39 PolarHBondContact O-N 3.08Å; R22-K41 HydrophobicContact CB-CG 4.3Å
23	I	95.9	Very high	86.3	Confident	29 Å²	29	73 Å²	73	15%	0.149	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130	174.3	-62.3	-178	0	0	0	109.1	T15 V17 Y36 I51	T15-I23 HydrophobicContact CG2-CD1 3.9Å; T15-I23 PolarHBondContact O-N 3.38Å; V17-I23 HydrophobicContact CG1-CD1 3.71Å; V17-I23 HydrophobicContact CG1-CG1 4.24Å; V17-I23 HydrophobicContact CG2-CG1 4.47Å; I23-Y36 HydrophobicContact CG2-CD1 3.64Å; I23-Y36 HydrophobicContact CG2-CE1 4.44Å; I23-Y36 HydrophobicContact CG2-CG 3.88Å; I23-I51 HydrophobicContact CD1-CD1 3.69Å
24	I	94.9	Very high	87.8	Confident	74 Å²	74	65.2 Å²	65.2	38%	0.379	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-65.3	-177.2	-54.2	-58.4	0	0	0	111.1	R22 L37 I39	R22-I24 HydrophobicContact CG-CD1 4.1Å; I24-L37 HydrophobicContact CB-CG 4.39Å; I24-L37 WeakPolarHBondContact CB-O 3.49Å; I24-L37 PolarHBondContact N-O 3.34Å; I24-I39 HydrophobicContact CD1-CD1 3.79Å; I24-I39 HydrophobicContact CD1-CG1 4.12Å; I24-I39 HydrophobicContact CG1-CB 4.49Å; I24-I39 HydrophobicContact CG1-CD1 3.77Å; I24-I39 HydrophobicContact CG1-CG1 3.77Å
25	R	93.8	Very high	88.6	Confident	133 Å²	133	61.4 Å²	61.4	50%	0.502	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.4	-175.3	65.7	179.3	178.9	-173.2	-2.6	111.9	I27 Y36 L37	R25-I27 HydrophobicContact CG-CG2 4.28Å; R25-I27 PolarHBondContact O-N 3.31Å; R25-Y36 CarbonylContact O-C 3.58Å; R25-Y36 VanDerWaalsContact O-CA 3.31Å; R25-Y36 WeakPolarHBondContact O-CA 3.27Å; R25-L37 HydrophobicContact CG-CB 4.17Å; R25-L37 HydrophobicContact CG-CD2 4.35Å; R25-L37 PolarHBondContact N-O 3.41Å; R25-L37 PolarHBondContact O-N 3.4Å
26	R	94.1	Very high	88.9	Confident	141 Å²	141	59.9 Å²	59.9	53%	0.532	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.2	171.8	-171.2	176	179.4	-87.5	0	109.8	E34 Y36	R26-E34 IonicContact CZ-OE1 2.82Å; R26-E34 IonicContact NE-OE1 3.66Å; R26-E34 PolarHBondContact NE-OE1 2.76Å; R26-E34 IonicContact NH2-OE1 3.72Å; R26-Y36 HydrophobicContact CB-CD1 3.93Å; R26-Y36 HydrophobicContact CB-CE1 3.74Å; R26-Y36 HydrophobicContact CG-CE1 4.23Å
27	I	92.1	Very high	89.1	Confident	52 Å²	52	57.8 Å²	57.8	27%	0.267	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-15.3	178.5	60.7	175.1	0	0	0	113.2	R25 I35 L37 L96 K383	R25-I27 HydrophobicContact CG-CG2 4.28Å; R25-I27 PolarHBondContact O-N 3.31Å; I27-I35 HydrophobicContact CD1-CG2 3.91Å; I27-I35 HydrophobicContact CG1-CB 4.23Å; I27-I35 HydrophobicContact CG1-CG2 3.75Å; I27-I35 PolarHBondContact N-O 2.85Å; I27-L37 HydrophobicContact CG2-CB 3.7Å; I27-L96 HydrophobicContact CD1-CD1 3.78Å; I27-K383 WeakPolarHBondContact O-CE 3.32Å; I27-K383 PolarHBondContact O-NZ 2.95Å
28	G	86.9	Confident	89.3	Confident	18 Å²	18	57.6 Å²	57.6	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	174.7	177.5	0	0	0	0	0	113.5	I35	G28-I35 PolarHBondContact N-O 3.24Å; G28-I35 VanDerWaalsContact N-O 3.12Å; G28-I35 PolarHBondContact O-N 3.11Å
29	G	81.5	Confident	89.6	Confident	50 Å²	50	58.6 Å²	58.6	52%	0.515	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131	167.9	0	0	0	0	0	108.8
30	G	65.7	Low	89.8	Confident	45 Å²	45	51.3 Å²	51.3	46%	0.464	27%	0.269	S	S	.	.			trans	-93.2	-175.5	172.8	0	0	0	0	0	111.6	F32 G33	G30-F32 PolarHBondContact O-N 3.49Å; G30-G33 PolarHBondContact N-O 3.11Å
31	S	65.9	Low	89.9	Confident	77 Å²	77	53.3 Å²	53.3	54%	0.538	28%	0.278	S	S	.	.	S	Bend	trans	-67.6	-20.1	173.3	38.7	0	0	0	0	113.8
32	F	70.5	Confident	89.8	Confident	52 Å²	52	57.4 Å²	57.4	23%	0.228	31%	0.308	C	S	.	.	S	Bend	trans	-124.7	2.4	-170.5	-50.5	-67.5	0	0	0	113.8	G30 E52 Q60 L164	G30-F32 PolarHBondContact O-N 3.49Å; F32-E52 WeakPolarHBondContact O-CB 3.27Å; F32-E52 VanDerWaalsContact O-CD 3.29Å; F32-E52 WeakPolarHBondContact O-CG 3.36Å; F32-Q60 VanDerWaalsContact CZ-OE1 3.27Å; F32-L164 HydrophobicContact CE2-CG 4.36Å; F32-L164 HydrophobicContact CZ-CD2 4.14Å; F32-L164 HydrophobicContact CZ-CG 4.3Å
33	G	82.8	Confident	89.8	Confident	18 Å²	18	57.9 Å²	57.9	19%	0.186	32%	0.317	C	S	.	.			trans	173.5	-175.3	-177.4	0	0	0	0	0	114.2	G30 I51	G30-G33 PolarHBondContact N-O 3.11Å; G33-I51 CarbonylContact C-O 3.49Å; G33-I51 VanDerWaalsContact CA-O 3.27Å; G33-I51 WeakPolarHBondContact CA-O 3.16Å
34	E	91.8	Very high	89.8	Confident	76 Å²	76	58.8 Å²	58.8	36%	0.355	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	146.3	-179.6	-61.9	-159.7	115.4	0	0	111.2	R26 Y36 K50 I51	R26-E34 IonicContact CZ-OE1 2.82Å; R26-E34 IonicContact NE-OE1 3.66Å; R26-E34 PolarHBondContact NE-OE1 2.76Å; R26-E34 IonicContact NH2-OE1 3.72Å; E34-Y36 HydrophobicContact CB-CD2 4.29Å; E34-Y36 HydrophobicContact CB-CE2 3.5Å; E34-Y36 PolarHBondContact OE2-OH 3.22Å; E34-K50 WeakPolarHBondContact O-CA 3.41Å; E34-I51 PolarHBondContact N-O 3.42Å; E34-I51 PolarHBondContact O-N 2.59Å
35	I	94.4	Very high	89.9	Confident	37 Å²	37	58.8 Å²	58.8	19%	0.19	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.1	179.4	-46.4	-62.7	0	0	0	109.1	I27 G28 V49 K50	I27-I35 HydrophobicContact CD1-CG2 3.91Å; I27-I35 HydrophobicContact CG1-CB 4.23Å; I27-I35 HydrophobicContact CG1-CG2 3.75Å; I27-I35 PolarHBondContact N-O 2.85Å; G28-I35 PolarHBondContact N-O 3.24Å; G28-I35 VanDerWaalsContact N-O 3.12Å; G28-I35 PolarHBondContact O-N 3.11Å; I35-V49 WeakPolarHBondContact CA-O 3.33Å; I35-K50 HydrophobicContact CD1-CB 3.53Å; I35-K50 HydrophobicContact CD1-CD 3.65Å; I35-K50 HydrophobicContact CD1-CG 3.38Å
36	Y	96.4	Very high	90.1	Very high	49 Å²	49	56.9 Å²	56.9	19%	0.192	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.7	179.1	-63.8	-98.1	0	0	0	111.3	I23 R25 R26 E34 V49 I51	I23-Y36 HydrophobicContact CG2-CD1 3.64Å; I23-Y36 HydrophobicContact CG2-CE1 4.44Å; I23-Y36 HydrophobicContact CG2-CG 3.88Å; R25-Y36 CarbonylContact O-C 3.58Å; R25-Y36 VanDerWaalsContact O-CA 3.31Å; R25-Y36 WeakPolarHBondContact O-CA 3.27Å; R26-Y36 HydrophobicContact CB-CD1 3.93Å; R26-Y36 HydrophobicContact CB-CE1 3.74Å; R26-Y36 HydrophobicContact CG-CE1 4.23Å; E34-Y36 HydrophobicContact CB-CD2 4.29Å; E34-Y36 HydrophobicContact CB-CE2 3.5Å; E34-Y36 PolarHBondContact OE2-OH 3.22Å; Y36-V49 PolarHBondContact N-O 3.48Å; Y36-V49 PolarHBondContact O-N 3.42Å; Y36-I51 HydrophobicContact CD2-CD1 3.91Å; Y36-I51 HydrophobicContact CD2-CG1 4.3Å; Y36-I51 HydrophobicContact CE2-CD1 4.03Å
37	L	96.8	Very high	90.2	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.063	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.1	159.3	175.5	63.3	0	0	0	107.9	I24 R25 I27 E46 L96	I24-L37 HydrophobicContact CB-CG 4.39Å; I24-L37 WeakPolarHBondContact CB-O 3.49Å; I24-L37 PolarHBondContact N-O 3.34Å; R25-L37 HydrophobicContact CG-CB 4.17Å; R25-L37 HydrophobicContact CG-CD2 4.35Å; R25-L37 PolarHBondContact N-O 3.41Å; R25-L37 PolarHBondContact O-N 3.4Å; I27-L37 HydrophobicContact CG2-CB 3.7Å; L37-E46 HydrophobicContact CD1-CB 4.1Å; L37-E46 HydrophobicContact CD1-CG 4.44Å; L37-L96 HydrophobicContact CD1-CD1 4.29Å; L37-L96 HydrophobicContact CD1-CD2 3.67Å
38	G	97.6	Very high	90.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	163.2	169.6	0	0	0	0	0	111.4	R22 V47	R22-G38 CarbonylContact O-C 3.18Å; R22-G38 WeakPolarHBondContact O-CA 3.2Å; G38-V47 PolarHBondContact N-O 2.83Å; G38-V47 WeakPolarHBondContact O-CG2 3.44Å; G38-V47 PolarHBondContact O-N 3.01Å
39	I	97.9	Very high	90.9	Very high	37 Å²	37	47.4 Å²	47.4	19%	0.19	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.9	173.8	-63.6	175.3	0	0	0	108.4	Y21 R22 I24 K41 E45	Y21-I39 CarbonylContact C-O 3.47Å; Y21-I39 WeakPolarHBondContact CA-O 3.31Å; R22-I39 PolarHBondContact N-O 3.42Å; R22-I39 PolarHBondContact O-N 3.08Å; I24-I39 HydrophobicContact CD1-CD1 3.79Å; I24-I39 HydrophobicContact CD1-CG1 4.12Å; I24-I39 HydrophobicContact CG1-CB 4.49Å; I24-I39 HydrophobicContact CG1-CD1 3.77Å; I24-I39 HydrophobicContact CG1-CG1 3.77Å; I39-K41 PolarHBondContact O-N 3.05Å; I39-E45 WeakPolarHBondContact CA-O 3.08Å
40	N	97.7	Very high	91.6	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	117	170.5	177.7	-7.8	0	0	0	109.8	K20 Y21 S42 N43 G44 E45	K20-N40 VanDerWaalsContact CE-ND2 3.25Å; K20-N40 WeakPolarHBondContact CE-ND2 3.25Å; K20-N40 WeakPolarHBondContact CE-OD1 3.19Å; Y21-N40 HydrophobicContact CD1-CB 3.88Å; Y21-N40 HydrophobicContact CE1-CB 3.84Å; N40-S42 PolarHBondContact O-N 3.46Å; N40-S42 PolarHBondContact OD1-N 2.93Å; N40-S42 VanDerWaalsContact OD1-N 3.09Å; N40-S42 PolarHBondContact OD1-OG 3.3Å; N40-N43 WeakPolarHBondContact CB-OD1 3.25Å; N40-N43 PolarHBondContact ND2-ND2 3.5Å; N40-N43 PolarHBondContact ND2-OD1 3.25Å; N40-N43 PolarHBondContact O-N 2.92Å; N40-G44 WeakPolarHBondContact O-CA 3.48Å; N40-G44 PolarHBondContact O-N 2.92Å; N40-E45 HydrophobicContact CB-CB 4.13Å; N40-E45 PolarHBondContact N-O 3.15Å
41	K	95.9	Very high	93	Very high	124 Å²	124	45.2 Å²	45.2	54%	0.539	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.7	-174.5	-68.3	179.9	65.4	-179.6	0	114	I16 K20 R22 I39	I16-K41 HydrophobicContact CD1-CD 4.08Å; I16-K41 HydrophobicContact CG1-CD 4.5Å; I16-K41 HydrophobicContact CG2-CD 4.42Å; K20-K41 WeakPolarHBondContact O-CB 3.4Å; K20-K41 WeakPolarHBondContact O-CG 3.2Å; K20-K41 PolarHBondContact O-N 2.7Å; R22-K41 HydrophobicContact CB-CG 4.3Å; I39-K41 PolarHBondContact O-N 3.05Å
42	S	96.1	Very high	94.3	Very high	93 Å²	93	41.8 Å²	41.8	65%	0.65	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-28.9	-174.4	68.2	0	0	0	0	113.7	N40	N40-S42 PolarHBondContact O-N 3.46Å; N40-S42 PolarHBondContact OD1-N 2.93Å; N40-S42 VanDerWaalsContact OD1-N 3.09Å; N40-S42 PolarHBondContact OD1-OG 3.3Å
43	N	96.5	Very high	95.3	Very high	96 Å²	96	41.6 Å²	41.6	51%	0.513	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	1.3	-172.1	67.4	-4.8	0	0	0	114.1	N40 E45	N40-N43 WeakPolarHBondContact CB-OD1 3.25Å; N40-N43 PolarHBondContact ND2-ND2 3.5Å; N40-N43 PolarHBondContact ND2-OD1 3.25Å; N40-N43 PolarHBondContact O-N 2.92Å; N43-E45 PolarHBondContact O-N 3.45Å; N43-E45 WeakPolarHBondContact OD1-CB 3.44Å; N43-E45 PolarHBondContact OD1-N 3.37Å
44	G	96	Very high	95.6	Very high	49 Å²	49	43.5 Å²	43.5	51%	0.505	24%	0.238	S	C	.	.			trans	74.1	2.9	-179.5	0	0	0	0	0	115	N40 E46	N40-G44 WeakPolarHBondContact O-CA 3.48Å; N40-G44 PolarHBondContact O-N 2.92Å; G44-E46 PolarHBondContact O-N 3.46Å
45	E	97.1	Very high	95.4	Very high	73 Å²	73	47.4 Å²	47.4	34%	0.341	25%	0.253	S	S	.	.			trans	-63.9	128.3	-176.8	-179.7	-176.1	-156.8	0	0	111.7	I39 N40 N43 V47 K81	I39-E45 WeakPolarHBondContact CA-O 3.08Å; N40-E45 HydrophobicContact CB-CB 4.13Å; N40-E45 PolarHBondContact N-O 3.15Å; N43-E45 PolarHBondContact O-N 3.45Å; N43-E45 WeakPolarHBondContact OD1-CB 3.44Å; N43-E45 PolarHBondContact OD1-N 3.37Å; E45-V47 HydrophobicContact CG-CG1 4.41Å; E45-K81 WeakPolarHBondContact OE1-CE 3.27Å; E45-K81 IonicContact OE1-NZ 3.08Å; E45-K81 PolarHBondContact OE1-NZ 3Å; E45-K81 IonicContact OE2-NZ 2.81Å
46	E	97.5	Very high	95	Very high	93 Å²	93	47.5 Å²	47.5	44%	0.435	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.8	173.6	-61.6	-162.3	136.3	0	0	112.1	L37 G44 L96	L37-E46 HydrophobicContact CD1-CB 4.1Å; L37-E46 HydrophobicContact CD1-CG 4.44Å; G44-E46 PolarHBondContact O-N 3.46Å; E46-L96 HydrophobicContact CB-CD2 3.88Å; E46-L96 WeakPolarHBondContact OE2-CD2 3.47Å
47	V	98	Very high	94.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.3	-175.1	-57.5	0	0	0	0	111.6	Y21 G38 E45 V49 K81 V93	Y21-V47 HydrophobicContact CD1-CG1 4.26Å; Y21-V47 HydrophobicContact CD1-CG2 3.79Å; Y21-V47 HydrophobicContact CE1-CG1 4.16Å; Y21-V47 HydrophobicContact CE1-CG2 4.43Å; Y21-V47 HydrophobicContact CG-CG2 4.47Å; G38-V47 PolarHBondContact N-O 2.83Å; G38-V47 WeakPolarHBondContact O-CG2 3.44Å; G38-V47 PolarHBondContact O-N 3.01Å; E45-V47 HydrophobicContact CG-CG1 4.41Å; V47-V49 HydrophobicContact CG2-CG2 3.98Å; V47-K81 HydrophobicContact CB-CD 4.48Å; V47-K81 HydrophobicContact CG1-CD 3.52Å; V47-V93 HydrophobicContact CB-CG1 3.77Å; V47-V93 HydrophobicContact CG1-CG1 4.22Å; V47-V93 HydrophobicContact CG2-CG1 3.65Å
48	A	97.2	Very high	93.6	Very high	13 Å²	13	57.3 Å²	57.3	11%	0.107	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.6	166.5	0	0	0	0	0	109.9	V93 M94 L96	A48-V93 WeakPolarHBondContact O-CA 3.22Å; A48-M94 HydrophobicContact CB-CG 4.12Å; A48-M94 PolarHBondContact N-O 2.92Å; A48-M94 PolarHBondContact O-N 3.31Å; A48-L96 HydrophobicContact CB-CD1 4.19Å
49	V	96.6	Very high	93.1	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.1	178.4	-172.7	0	0	0	0	108.8	V17 I35 Y36 V47 I51 I91 V93	V17-V49 HydrophobicContact CG2-CG1 4.15Å; I35-V49 WeakPolarHBondContact CA-O 3.33Å; Y36-V49 PolarHBondContact N-O 3.48Å; Y36-V49 PolarHBondContact O-N 3.42Å; V47-V49 HydrophobicContact CG2-CG2 3.98Å; V49-I51 HydrophobicContact CG1-CD1 4.19Å; V49-I51 HydrophobicContact CG1-CG1 3.97Å; V49-I91 HydrophobicContact CG1-CG2 3.71Å; V49-V93 HydrophobicContact CG1-CG2 4.23Å; V49-V93 HydrophobicContact CG2-CG2 4.22Å
50	K	95.5	Very high	92.8	Very high	17 Å²	17	60.4 Å²	60.4	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.6	174.2	-176.8	164.9	-172.9	-171.6	0	109.1	E34 I35 L61 E64 I91 L92 D161	E34-K50 WeakPolarHBondContact O-CA 3.41Å; I35-K50 HydrophobicContact CD1-CB 3.53Å; I35-K50 HydrophobicContact CD1-CD 3.65Å; I35-K50 HydrophobicContact CD1-CG 3.38Å; K50-L61 HydrophobicContact CB-CD1 4.31Å; K50-L61 HydrophobicContact CD-CD1 3.57Å; K50-L61 HydrophobicContact CG-CD1 3.7Å; K50-L61 HydrophobicContact CG-CD2 4.22Å; K50-L61 WeakPolarHBondContact O-CD2 3.44Å; K50-E64 IonicContact NZ-OE1 2.71Å; K50-E64 PolarHBondContact NZ-OE1 3.18Å; K50-E64 IonicContact NZ-OE2 3.28Å; K50-E64 PolarHBondContact NZ-OE2 3.43Å; K50-I91 WeakPolarHBondContact O-CA 3.4Å; K50-L92 HydrophobicContact CB-CB 4.39Å; K50-L92 PolarHBondContact N-O 2.94Å; K50-L92 PolarHBondContact O-N 3.27Å; K50-D161 IonicContact NZ-OD1 2.73Å; K50-D161 PolarHBondContact NZ-OD1 3.31Å
51	I	94.7	Very high	92.6	Very high	31 Å²	31	60.4 Å²	60.4	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.2	-178.1	-53.8	-178.4	0	0	0	108.8	I23 G33 E34 Y36 V49 N89 I91	I23-I51 HydrophobicContact CD1-CD1 3.69Å; G33-I51 CarbonylContact C-O 3.49Å; G33-I51 VanDerWaalsContact CA-O 3.27Å; G33-I51 WeakPolarHBondContact CA-O 3.16Å; E34-I51 PolarHBondContact N-O 3.42Å; E34-I51 PolarHBondContact O-N 2.59Å; Y36-I51 HydrophobicContact CD2-CD1 3.91Å; Y36-I51 HydrophobicContact CD2-CG1 4.3Å; Y36-I51 HydrophobicContact CE2-CD1 4.03Å; V49-I51 HydrophobicContact CG1-CD1 4.19Å; V49-I51 HydrophobicContact CG1-CG1 3.97Å; I51-N89 HydrophobicContact CG2-CB 3.77Å; I51-I91 HydrophobicContact CG1-CG1 4.3Å; I51-I91 HydrophobicContact CG1-CG2 4.33Å; I51-I91 HydrophobicContact CG2-CG1 4.31Å
52	E	93.8	Very high	92.6	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.028	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	175.1	172.7	173.5	-145.5	0	0	109.7	F32 N54 S56 P59 Q60 L61 N89 S90	F32-E52 WeakPolarHBondContact O-CB 3.27Å; F32-E52 VanDerWaalsContact O-CD 3.29Å; F32-E52 WeakPolarHBondContact O-CG 3.36Å; E52-N54 PolarHBondContact O-N 2.81Å; E52-S56 PolarHBondContact OE1-OG 3.05Å; E52-P59 WeakPolarHBondContact OE1-CA 3.46Å; E52-Q60 PolarHBondContact OE1-N 2.84Å; E52-Q60 PolarHBondContact OE2-N 2.87Å; E52-L61 HydrophobicContact CB-CB 4.12Å; E52-L61 HydrophobicContact CB-CD2 4.09Å; E52-L61 VanDerWaalsContact OE2-CB 3.32Å; E52-L61 WeakPolarHBondContact OE2-CB 3.4Å; E52-L61 PolarHBondContact OE2-N 3.3Å; E52-N89 CarbonylContact O-C 3.6Å; E52-N89 VanDerWaalsContact O-CA 3.3Å; E52-N89 WeakPolarHBondContact O-CA 3.25Å; E52-S90 PolarHBondContact N-O 2.76Å; E52-S90 PolarHBondContact O-N 3.17Å
53	S	91.9	Very high	92.5	Very high	47 Å²	47	58.3 Å²	58.3	33%	0.329	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131.3	172.3	-175.9	0	0	0	0	110.9	K55 S56 N89	S53-K55 PolarHBondContact O-N 3.16Å; S53-K55 VanDerWaalsContact O-N 3.13Å; S53-K55 PolarHBondContact OG-N 3.23Å; S53-S56 WeakPolarHBondContact O-CB 3.39Å; S53-S56 PolarHBondContact O-N 3.39Å; S53-S56 PolarHBondContact O-OG 3.35Å; S53-N89 VanDerWaalsContact CA-OD1 3.3Å; S53-N89 WeakPolarHBondContact CA-OD1 3.26Å
54	N	88.6	Confident	92.5	Very high	58 Å²	58	54 Å²	54	31%	0.31	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13	173.5	-66.1	-23.7	0	0	0	112.8	E52 S56 V85 D88 S90	E52-N54 PolarHBondContact O-N 2.81Å; N54-S56 VanDerWaalsContact C-N 3.27Å; N54-V85 VanDerWaalsContact ND2-CG1 3.29Å; N54-V85 WeakPolarHBondContact ND2-CG1 3.22Å; N54-D88 VanDerWaalsContact CB-O 3.26Å; N54-D88 WeakPolarHBondContact CB-O 3.44Å; N54-D88 PolarHBondContact N-O 2.7Å; N54-D88 PolarHBondContact ND2-O 3.22Å; N54-S90 WeakPolarHBondContact OD1-CB 3.35Å; N54-S90 PolarHBondContact OD1-N 3.38Å; N54-S90 PolarHBondContact OD1-OG 2.95Å
55	K	87.7	Confident	92.5	Very high	158 Å²	158	52.1 Å²	52.1	69%	0.687	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.6	172	-62.3	175	-176.3	158.9	0	112.4	S53 D88	S53-K55 PolarHBondContact O-N 3.16Å; S53-K55 VanDerWaalsContact O-N 3.13Å; S53-K55 PolarHBondContact OG-N 3.23Å; K55-D88 WeakPolarHBondContact CE-OD2 3.39Å; K55-D88 IonicContact NZ-OD2 2.61Å; K55-D88 PolarHBondContact NZ-OD2 3.49Å
56	S	85	Confident	92.6	Very high	40 Å²	40	54.6 Å²	54.6	28%	0.28	27%	0.265	S	S	.	.	S	Bend	trans	-59.7	153.5	174.2	85.1	0	0	0	0	110	E52 S53 N54 H58 P59	E52-S56 PolarHBondContact OE1-OG 3.05Å; S53-S56 WeakPolarHBondContact O-CB 3.39Å; S53-S56 PolarHBondContact O-N 3.39Å; S53-S56 PolarHBondContact O-OG 3.35Å; N54-S56 VanDerWaalsContact C-N 3.27Å; S56-H58 PolarHBondContact O-N 3.43Å; S56-P59 WeakPolarHBondContact O-CD 3.49Å; S56-P59 WeakPolarHBondContact OG-CA 3.18Å
57	R	81.2	Confident	92.6	Very high	152 Å²	152	50.2 Å²	50.2	57%	0.574	25%	0.245	S	C	*	.	S	Bend	trans	-62.7	-28.2	-176.4	-171	179.3	175.7	166.8	2.8	112.6
58	H	82.6	Confident	92.5	Very high	115 Å²	115	50.3 Å²	50.3	53%	0.532	25%	0.245	S	C	.	.	S	Bend	trans	-144.8	78.7	-177.7	-61.2	-59.7	0	0	0	109.1	S56 Q60	S56-H58 PolarHBondContact O-N 3.43Å; H58-Q60 WeakPolarHBondContact O-CG 3.24Å; H58-Q60 PolarHBondContact O-N 3.25Å
59	P	88.4	Confident	92.5	Very high	76 Å²	76	59.6 Å²	59.6	49%	0.494	28%	0.277	S	S	.	.			trans	-63.9	125.8	180	26.4	-33.4	0	0	0	110.2	E52 S56	E52-P59 WeakPolarHBondContact OE1-CA 3.46Å; S56-P59 WeakPolarHBondContact O-CD 3.49Å; S56-P59 WeakPolarHBondContact OG-CA 3.18Å
60	Q	91.1	Very high	92.6	Very high	26 Å²	26	63.5 Å²	63.5	12%	0.121	30%	0.297	C	S	.	.			trans	-119.9	-20.2	-173.4	-75.9	173.8	23.5	0	0	113.3	F32 E52 H58 L62 Y63 E64 G163	F32-Q60 VanDerWaalsContact CZ-OE1 3.27Å; E52-Q60 PolarHBondContact OE1-N 2.84Å; E52-Q60 PolarHBondContact OE2-N 2.87Å; H58-Q60 WeakPolarHBondContact O-CG 3.24Å; H58-Q60 PolarHBondContact O-N 3.25Å; Q60-L62 VanDerWaalsContact C-N 3.33Å; Q60-L62 PolarHBondContact O-N 2.99Å; Q60-Y63 WeakPolarHBondContact O-CA 3.48Å; Q60-Y63 WeakPolarHBondContact O-CB 3.47Å; Q60-Y63 PolarHBondContact O-N 3.28Å; Q60-E64 PolarHBondContact O-N 3.12Å; Q60-G163 VanDerWaalsContact OE1-C 3.24Å; Q60-G163 PolarHBondContact OE1-O 2.98Å
61	L	93.8	Very high	92.7	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-33	-168	-164.3	60.8	0	0	0	113.9	K50 E52 E64 S65 F83 S90 L92	K50-L61 HydrophobicContact CB-CD1 4.31Å; K50-L61 HydrophobicContact CD-CD1 3.57Å; K50-L61 HydrophobicContact CG-CD1 3.7Å; K50-L61 HydrophobicContact CG-CD2 4.22Å; K50-L61 WeakPolarHBondContact O-CD2 3.44Å; E52-L61 HydrophobicContact CB-CB 4.12Å; E52-L61 HydrophobicContact CB-CD2 4.09Å; E52-L61 VanDerWaalsContact OE2-CB 3.32Å; E52-L61 WeakPolarHBondContact OE2-CB 3.4Å; E52-L61 PolarHBondContact OE2-N 3.3Å; L61-E64 WeakPolarHBondContact CD1-OE2 3.46Å; L61-S65 WeakPolarHBondContact O-CB 3.42Å; L61-S65 PolarHBondContact O-N 3.22Å; L61-F83 HydrophobicContact CG-CE2 4.43Å; L61-S90 VanDerWaalsContact CD2-O 3.25Å; L61-S90 WeakPolarHBondContact CD2-O 3.17Å; L61-L92 HydrophobicContact CD1-CB 3.73Å; L61-L92 HydrophobicContact CD1-CD2 3.68Å; L61-L92 HydrophobicContact CD1-CG 4.37Å; L61-L92 HydrophobicContact CD2-CB 3.92Å; L61-L92 HydrophobicContact CG-CB 3.86Å; L61-L92 HydrophobicContact CG-CD2 4.44Å
62	L	94.6	Very high	92.8	Very high	84 Å²	84	63.8 Å²	63.8	44%	0.44	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-38.2	172	174.7	62.6	0	0	0	112.3	Q60 S65 K66 F83	Q60-L62 VanDerWaalsContact C-N 3.33Å; Q60-L62 PolarHBondContact O-N 2.99Å; L62-S65 PolarHBondContact O-OG 2.97Å; L62-K66 WeakPolarHBondContact O-CG 3.29Å; L62-K66 PolarHBondContact O-N 2.87Å; L62-F83 HydrophobicContact CB-CZ 3.88Å; L62-F83 HydrophobicContact CD1-CE1 3.46Å; L62-F83 VanDerWaalsContact CD1-CE1 3.46Å; L62-F83 HydrophobicContact CD1-CZ 3.48Å; L62-F83 VanDerWaalsContact CD1-CZ 3.48Å; L62-F83 HydrophobicContact CG-CZ 4.28Å
63	Y	95.7	Very high	92.8	Very high	90 Å²	90	66.9 Å²	66.9	35%	0.353	33%	0.332	S	S	.	.	H	α-helix	trans	-70.4	-46.6	176.5	177.1	-98.9	0	0	0	110.3	Q60 S65 K66 V67 A165	Q60-Y63 WeakPolarHBondContact O-CA 3.48Å; Q60-Y63 WeakPolarHBondContact O-CB 3.47Å; Q60-Y63 PolarHBondContact O-N 3.28Å; Y63-S65 VanDerWaalsContact C-N 3.3Å; Y63-S65 PolarHBondContact O-N 3.3Å; Y63-K66 WeakPolarHBondContact O-CB 3.49Å; Y63-K66 PolarHBondContact O-N 3.49Å; Y63-K66 VanDerWaalsContact O-N 3.11Å; Y63-V67 HydrophobicContact CD1-CG2 4.06Å; Y63-V67 HydrophobicContact CE1-CG2 3.58Å; Y63-V67 HydrophobicContact CE2-CG2 4.32Å; Y63-V67 WeakPolarHBondContact O-CG2 3.42Å; Y63-V67 PolarHBondContact O-N 2.68Å; Y63-A165 VanDerWaalsContact CE1-O 3.27Å; Y63-A165 WeakPolarHBondContact CE1-O 3.36Å; Y63-A165 PolarHBondContact OH-O 3.15Å
64	E	96	Very high	93	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.019	32%	0.321	C	S	.	.	H	α-helix	trans	-55.2	-44	176.6	-175	178.2	179.2	0	0	111.8	K50 Q60 L61 K66 V67 Y68 D161 F162	K50-E64 IonicContact NZ-OE1 2.71Å; K50-E64 PolarHBondContact NZ-OE1 3.18Å; K50-E64 IonicContact NZ-OE2 3.28Å; K50-E64 PolarHBondContact NZ-OE2 3.43Å; Q60-E64 PolarHBondContact O-N 3.12Å; L61-E64 WeakPolarHBondContact CD1-OE2 3.46Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 2.71Å; E64-V67 PolarHBondContact O-N 3.34Å; E64-Y68 HydrophobicContact CG-CD2 3.97Å; E64-Y68 HydrophobicContact CG-CE2 4.1Å; E64-Y68 PolarHBondContact O-N 3.1Å; E64-D161 WeakPolarHBondContact OE1-CA 2.86Å; E64-F162 HydrophobicContact CG-CB 4.09Å
65	S	96.4	Very high	93.4	Very high	10 Å²	10	68.1 Å²	68.1	7%	0.07	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-36.9	178.5	74.3	0	0	0	0	112.7	L61 L62 Y63 R69 I80 F83	L61-S65 WeakPolarHBondContact O-CB 3.42Å; L61-S65 PolarHBondContact O-N 3.22Å; L62-S65 PolarHBondContact O-OG 2.97Å; Y63-S65 VanDerWaalsContact C-N 3.3Å; Y63-S65 PolarHBondContact O-N 3.3Å; S65-R69 WeakPolarHBondContact O-CB 3.29Å; S65-R69 PolarHBondContact O-N 3.25Å; S65-I80 WeakPolarHBondContact O-CD1 3.28Å; S65-F83 VanDerWaalsContact CB-CD2 3.46Å; S65-F83 WeakPolarHBondContact OG-CD2 3.28Å
66	K	97.3	Very high	93.9	Very high	125 Å²	125	60.8 Å²	60.8	54%	0.543	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-42.6	173.8	-69.2	176.1	-177.9	-179.7	0	111.9	L62 Y63 E64 R69 I70	L62-K66 WeakPolarHBondContact O-CG 3.29Å; L62-K66 PolarHBondContact O-N 2.87Å; Y63-K66 WeakPolarHBondContact O-CB 3.49Å; Y63-K66 PolarHBondContact O-N 3.49Å; Y63-K66 VanDerWaalsContact O-N 3.11Å; E64-K66 VanDerWaalsContact C-N 3.33Å; E64-K66 PolarHBondContact O-N 2.71Å; K66-R69 PolarHBondContact O-N 3.14Å; K66-I70 WeakPolarHBondContact O-CG1 3.2Å; K66-I70 PolarHBondContact O-N 3.42Å
67	V	97.8	Very high	94.5	Very high	2 Å²	2	59 Å²	59	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-49.8	177.5	177.4	0	0	0	0	110.2	Y63 E64 R69 I70 L71 F136 F162 A165	Y63-V67 HydrophobicContact CD1-CG2 4.06Å; Y63-V67 HydrophobicContact CE1-CG2 3.58Å; Y63-V67 HydrophobicContact CE2-CG2 4.32Å; Y63-V67 WeakPolarHBondContact O-CG2 3.42Å; Y63-V67 PolarHBondContact O-N 2.68Å; E64-V67 PolarHBondContact O-N 3.34Å; V67-R69 PolarHBondContact O-N 3.14Å; V67-I70 WeakPolarHBondContact O-CB 3.38Å; V67-I70 PolarHBondContact O-N 3.09Å; V67-L71 HydrophobicContact CG1-CD1 3.83Å; V67-L71 HydrophobicContact CG1-CG 4.26Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 3.4Å; V67-F136 HydrophobicContact CG1-CD1 4.26Å; V67-F136 HydrophobicContact CG1-CE1 4.45Å; V67-F136 HydrophobicContact CG1-CG 4.44Å; V67-F136 HydrophobicContact CG2-CD1 4.28Å; V67-F136 HydrophobicContact CG2-CE1 3.86Å; V67-F136 HydrophobicContact CG2-CZ 4.4Å; V67-F162 HydrophobicContact CB-CB 4.1Å; V67-F162 HydrophobicContact CG1-CB 3.8Å; V67-F162 HydrophobicContact CG1-CD1 4.07Å; V67-F162 HydrophobicContact CG1-CG 3.95Å; V67-A165 HydrophobicContact CG1-CB 4.24Å
68	Y	97.5	Very high	95.3	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-53.7	-41.9	174.5	-100.4	-68.4	0	0	0	112.4	E64 I70 L71 Q72 I77 A78 I80 L92 M94 F162	E64-Y68 HydrophobicContact CG-CD2 3.97Å; E64-Y68 HydrophobicContact CG-CE2 4.1Å; E64-Y68 PolarHBondContact O-N 3.1Å; Y68-I70 VanDerWaalsContact C-N 3.27Å; Y68-I70 PolarHBondContact O-N 2.96Å; Y68-L71 CarbonylContact O-C 3.55Å; Y68-L71 PolarHBondContact O-N 2.89Å; Y68-L71 VanDerWaalsContact O-N 3.08Å; Y68-Q72 WeakPolarHBondContact O-CG 3.21Å; Y68-Q72 PolarHBondContact O-N 2.94Å; Y68-I77 HydrophobicContact CD1-CG2 3.8Å; Y68-I77 HydrophobicContact CE1-CG2 4.02Å; Y68-A78 HydrophobicContact CE1-CB 4.17Å; Y68-I80 HydrophobicContact CD2-CD1 4.34Å; Y68-I80 HydrophobicContact CG-CD1 3.93Å; Y68-I80 HydrophobicContact CG-CG1 4.13Å; Y68-L92 HydrophobicContact CD2-CD2 4.41Å; Y68-M94 HydrophobicContact CE2-CE 3.96Å; Y68-M94 HydrophobicContact CE2-SD 4.42Å; Y68-F162 HydrophobicContact CD1-CD2 4.24Å; Y68-F162 HydrophobicContact CD1-CE2 4.09Å; Y68-F162 AromaticContact CD2-CD2 3.87Å; Y68-F162 HydrophobicContact CD2-CD2 3.87Å; Y68-F162 HydrophobicContact CE1-CD2 4.06Å; Y68-F162 AromaticContact CE1-CE2 3.74Å; Y68-F162 HydrophobicContact CE1-CE2 3.74Å; Y68-F162 AromaticContact CE2-CD2 3.7Å; Y68-F162 HydrophobicContact CE2-CD2 3.7Å; Y68-F162 HydrophobicContact CE2-CE2 4.21Å; Y68-F162 HydrophobicContact CG-CD2 4.13Å; Y68-F162 HydrophobicContact CG-CE2 4.45Å; Y68-F162 AromaticContact CZ-CD2 3.79Å; Y68-F162 AromaticContact CZ-CE2 3.81Å
69	R	97.2	Very high	95.9	Very high	208 Å²	208	51 Å²	51	79%	0.785	26%	0.262	S	S	*	.	H	α-helix	trans	-61.8	-34.3	179	-155.3	172.2	-169.9	179.3	2	112.6	S65 K66 V67	S65-R69 WeakPolarHBondContact O-CB 3.29Å; S65-R69 PolarHBondContact O-N 3.25Å; K66-R69 PolarHBondContact O-N 3.14Å; V67-R69 PolarHBondContact O-N 3.14Å
70	I	97.2	Very high	96.3	Very high	82 Å²	82	49.5 Å²	49.5	42%	0.421	25%	0.249	S	C	.	.	H	α-helix	trans	-72.4	-33.7	174.5	-64.7	164.9	0	0	0	111.6	K66 V67 Y68 K134 F136	K66-I70 WeakPolarHBondContact O-CG1 3.2Å; K66-I70 PolarHBondContact O-N 3.42Å; V67-I70 WeakPolarHBondContact O-CB 3.38Å; V67-I70 PolarHBondContact O-N 3.09Å; Y68-I70 VanDerWaalsContact C-N 3.27Å; Y68-I70 PolarHBondContact O-N 2.96Å; I70-K134 PolarHBondContact O-NZ 3.42Å; I70-F136 HydrophobicContact CD1-CE2 3.91Å; I70-F136 HydrophobicContact CD1-CZ 3.85Å; I70-F136 HydrophobicContact CG2-CE2 4.1Å
71	L	98	Very high	96.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-84.4	-8.4	-178.7	-62.2	-179.7	0	0	0	113.9	V67 Y68 G74 I77 F130 V131 K134 F162	V67-L71 HydrophobicContact CG1-CD1 3.83Å; V67-L71 HydrophobicContact CG1-CG 4.26Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 3.4Å; Y68-L71 CarbonylContact O-C 3.55Å; Y68-L71 PolarHBondContact O-N 2.89Å; Y68-L71 VanDerWaalsContact O-N 3.08Å; L71-G74 PolarHBondContact O-N 2.85Å; L71-I77 HydrophobicContact CB-CD1 4.35Å; L71-I77 HydrophobicContact CB-CG1 4.3Å; L71-I77 HydrophobicContact CB-CG2 4Å; L71-I77 HydrophobicContact CD1-CD1 4.39Å; L71-F130 HydrophobicContact CB-CE1 4.23Å; L71-F130 HydrophobicContact CD2-CE1 4.13Å; L71-F130 WeakPolarHBondContact O-CE1 3.24Å; L71-F130 WeakPolarHBondContact O-CZ 3.37Å; L71-V131 HydrophobicContact CD1-CG2 4.25Å; L71-K134 HydrophobicContact CD2-CB 3.46Å; L71-K134 VanDerWaalsContact CD2-CB 3.46Å; L71-K134 HydrophobicContact CD2-CG 3.67Å; L71-F162 HydrophobicContact CD1-CD1 3.84Å; L71-F162 HydrophobicContact CD1-CD2 4.25Å; L71-F162 HydrophobicContact CD1-CE1 3.37Å; L71-F162 HydrophobicContact CD1-CE2 3.83Å; L71-F162 HydrophobicContact CD1-CG 4.26Å; L71-F162 HydrophobicContact CD1-CZ 3.35Å
72	Q	96.8	Very high	96.8	Very high	54 Å²	54	54.1 Å²	54.1	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	144.6	178.3	-76.2	-58.6	-39.5	0	0	112.4	Y68 G74 A78 H79 I80	Y68-Q72 WeakPolarHBondContact O-CG 3.21Å; Y68-Q72 PolarHBondContact O-N 2.94Å; Q72-G74 VanDerWaalsContact C-N 3.27Å; Q72-A78 PolarHBondContact NE2-O 3.38Å; Q72-H79 PolarHBondContact OE1-CD2 3.37Å; Q72-I80 VanDerWaalsContact NE2-N 3.17Å
73	G	94.1	Very high	96.9	Very high	72 Å²	72	52.9 Å²	52.9	74%	0.742	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-3.6	-174.5	0	0	0	0	0	114.8
74	G	96.5	Very high	96.9	Very high	10 Å²	10	49.2 Å²	49.2	10%	0.103	25%	0.248	C	C	.	.			trans	-74.8	140.5	172.5	0	0	0	0	0	113.2	L71 Q72 G76 I77 F130	L71-G74 PolarHBondContact O-N 2.85Å; Q72-G74 VanDerWaalsContact C-N 3.27Å; G74-G76 PolarHBondContact O-N 2.8Å; G74-I77 PolarHBondContact O-N 3.18Å; G74-F130 VanDerWaalsContact CA-CE1 3.47Å
75	I	96.5	Very high	96.9	Very high	120 Å²	120	53.1 Å²	53.1	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	126.6	171.5	-57.7	175.2	0	0	0	108.6	R127	I75-R127 WeakPolarHBondContact O-CD 3.35Å; I75-R127 PolarHBondContact O-NE 3.01Å
76	G	97.6	Very high	96.8	Very high	5 Å²	5	55.3 Å²	55.3	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	24.6	-178.9	0	0	0	0	0	114.7	G74 L157 F158 V159	G74-G76 PolarHBondContact O-N 2.8Å; G76-L157 WeakPolarHBondContact CA-O 3.47Å; G76-F158 CarbonylContact O-C 3.57Å; G76-F158 WeakPolarHBondContact O-CA 3.47Å; G76-V159 PolarHBondContact O-N 3.05Å
77	I	98.2	Very high	96.4	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.015	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-108.1	125.6	167	-55.7	-60.9	0	0	0	107.9	Y68 L71 G74 F130 V159 F162	Y68-I77 HydrophobicContact CD1-CG2 3.8Å; Y68-I77 HydrophobicContact CE1-CG2 4.02Å; L71-I77 HydrophobicContact CB-CD1 4.35Å; L71-I77 HydrophobicContact CB-CG1 4.3Å; L71-I77 HydrophobicContact CB-CG2 4Å; L71-I77 HydrophobicContact CD1-CD1 4.39Å; G74-I77 PolarHBondContact O-N 3.18Å; I77-F130 HydrophobicContact CD1-CD1 4.34Å; I77-F130 HydrophobicContact CD1-CE1 4.4Å; I77-F130 HydrophobicContact CG1-CD1 4.11Å; I77-F130 HydrophobicContact CG1-CE1 3.84Å; I77-V159 HydrophobicContact CD1-CG1 3.58Å; I77-F162 HydrophobicContact CD1-CE2 4.47Å; I77-F162 HydrophobicContact CD1-CZ 3.97Å
78	A	96.9	Very high	96	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.7	176.2	0	0	0	0	0	111.2	Y68 Q72 D95 L97	Y68-A78 HydrophobicContact CE1-CB 4.17Å; Q72-A78 PolarHBondContact NE2-O 3.38Å; A78-D95 HydrophobicContact CB-CB 4.3Å; A78-L97 HydrophobicContact CB-CD1 4.33Å
79	H	96.9	Very high	95.9	Very high	98 Å²	98	61 Å²	61	45%	0.454	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-76.9	130	175.7	-59.2	86.2	0	0	0	110.1	Q72 K81 M94 D95	Q72-H79 PolarHBondContact OE1-CD2 3.37Å; H79-K81 PolarHBondContact O-N 3.41Å; H79-M94 WeakPolarHBondContact O-CA 3.01Å; H79-M94 WeakPolarHBondContact O-CB 3.44Å; H79-D95 WeakPolarHBondContact CB-OD2 3.3Å; H79-D95 IonicContact CG-OD2 2.99Å; H79-D95 PolarHBondContact N-OD2 3.07Å; H79-D95 IonicContact ND1-OD2 3.69Å; H79-D95 PolarHBondContact ND1-OD2 2.94Å; H79-D95 PolarHBondContact O-N 3.08Å; H79-D95 VanDerWaalsContact O-N 3.11Å
80	I	96.8	Very high	95.8	Very high	44 Å²	44	51.4 Å²	51.4	23%	0.226	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.3	166.1	-66.8	-175.9	0	0	0	107.7	S65 Y68 Q72 L92	S65-I80 WeakPolarHBondContact O-CD1 3.28Å; Y68-I80 HydrophobicContact CD2-CD1 4.34Å; Y68-I80 HydrophobicContact CG-CD1 3.93Å; Y68-I80 HydrophobicContact CG-CG1 4.13Å; Q72-I80 VanDerWaalsContact NE2-N 3.17Å; I80-L92 HydrophobicContact CB-CD1 4.48Å; I80-L92 HydrophobicContact CD1-CD1 3.68Å; I80-L92 HydrophobicContact CG1-CD1 3.93Å; I80-L92 HydrophobicContact CG2-CD1 3.81Å
81	K	96.7	Very high	95.8	Very high	56 Å²	56	47.7 Å²	47.7	24%	0.243	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-34.2	174.3	-57.5	-173.1	-172.5	-61.3	0	111.7	E45 V47 H79 V93 D95	E45-K81 WeakPolarHBondContact OE1-CE 3.27Å; E45-K81 IonicContact OE1-NZ 3.08Å; E45-K81 PolarHBondContact OE1-NZ 3Å; E45-K81 IonicContact OE2-NZ 2.81Å; V47-K81 HydrophobicContact CB-CD 4.48Å; V47-K81 HydrophobicContact CG1-CD 3.52Å; H79-K81 PolarHBondContact O-N 3.41Å; K81-V93 HydrophobicContact CB-CG1 4.2Å; K81-V93 PolarHBondContact N-O 3.06Å; K81-D95 WeakPolarHBondContact CE-OD1 3.37Å; K81-D95 IonicContact NZ-OD1 3.98Å; K81-D95 PolarHBondContact NZ-OD1 3.5Å
82	W	97.1	Very high	95.7	Very high	68 Å²	68	47.7 Å²	47.7	26%	0.258	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	150.8	177.7	-176.9	83.4	0	0	0	111.8	G18 Y21 E86 I91 V93	G18-W82 VanDerWaalsContact CA-CZ2 3.45Å; Y21-W82 HydrophobicContact CE2-CB 3.72Å; Y21-W82 HydrophobicContact CE2-CG 4.25Å; W82-E86 HydrophobicContact CH2-CG 4.35Å; W82-I91 HydrophobicContact CE3-CG2 4.39Å; W82-I91 HydrophobicContact CZ3-CB 3.81Å; W82-I91 HydrophobicContact CZ3-CG2 3.77Å; W82-V93 HydrophobicContact CB-CB 4.14Å; W82-V93 HydrophobicContact CB-CG2 4.42Å; W82-V93 HydrophobicContact CE3-CG2 3.87Å; W82-V93 PolarHBondContact N-O 2.91Å; W82-V93 VanDerWaalsContact N-O 3.16Å; W82-V93 PolarHBondContact O-N 3.3Å
83	F	97.2	Very high	95.7	Very high	58 Å²	58	45.1 Å²	45.1	25%	0.254	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.2	168.4	171.2	-91.4	0	0	0	108.7	L61 L62 S65 I91 L92	L61-F83 HydrophobicContact CG-CE2 4.43Å; L62-F83 HydrophobicContact CB-CZ 3.88Å; L62-F83 HydrophobicContact CD1-CE1 3.46Å; L62-F83 VanDerWaalsContact CD1-CE1 3.46Å; L62-F83 HydrophobicContact CD1-CZ 3.48Å; L62-F83 VanDerWaalsContact CD1-CZ 3.48Å; L62-F83 HydrophobicContact CG-CZ 4.28Å; S65-F83 VanDerWaalsContact CB-CD2 3.46Å; S65-F83 WeakPolarHBondContact OG-CD2 3.28Å; F83-I91 WeakPolarHBondContact CA-O 3.38Å; F83-I91 VanDerWaalsContact CD2-O 3.3Å; F83-I91 WeakPolarHBondContact CD2-O 3.43Å; F83-L92 HydrophobicContact CB-CD1 4.05Å; F83-L92 HydrophobicContact CD2-CB 4.23Å; F83-L92 HydrophobicContact CD2-CD1 4.09Å
84	G	96.4	Very high	95.9	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	177.8	176.3	0	0	0	0	0	112.6	I91	G84-I91 PolarHBondContact N-O 3.4Å; G84-I91 PolarHBondContact O-N 3.2Å
85	V	95.5	Very high	95.9	Very high	86 Å²	86	43.6 Å²	43.6	52%	0.521	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.8	176.5	177	0	0	0	0	108.3	N54 N89	N54-V85 VanDerWaalsContact ND2-CG1 3.29Å; N54-V85 WeakPolarHBondContact ND2-CG1 3.22Å; V85-N89 CarbonylContact C-O 3.51Å; V85-N89 VanDerWaalsContact CA-O 3.27Å; V85-N89 WeakPolarHBondContact CA-O 3.47Å
86	E	94.1	Very high	95.9	Very high	56 Å²	56	38.6 Å²	38.6	26%	0.262	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	131.7	179	-65	-178.3	177.7	0	0	109.8	V17 G18 W82 D88 N89 I91	V17-E86 WeakPolarHBondContact CA-OE2 3.41Å; G18-E86 WeakPolarHBondContact CA-OE1 3.12Å; G18-E86 PolarHBondContact N-OE1 3.33Å; W82-E86 HydrophobicContact CH2-CG 4.35Å; E86-D88 PolarHBondContact O-N 3.3Å; E86-N89 PolarHBondContact N-O 3.47Å; E86-N89 WeakPolarHBondContact O-CB 3.25Å; E86-N89 PolarHBondContact O-N 3.05Å; E86-I91 HydrophobicContact CB-CD1 3.92Å; E86-I91 HydrophobicContact CG-CD1 4.32Å
87	S	89	Confident	95.9	Very high	114 Å²	114	39.3 Å²	39.3	80%	0.797	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	51.4	175.2	-56.7	0	0	0	0	114.2	N89	S87-N89 PolarHBondContact O-N 3.44Å; S87-N89 PolarHBondContact O-ND2 3Å; S87-N89 VanDerWaalsContact O-ND2 3.12Å
88	D	90.4	Very high	95.8	Very high	86 Å²	86	39.5 Å²	39.5	46%	0.46	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	11.9	-175.6	-65.7	-21.2	0	0	0	116.2	N54 K55 E86	N54-D88 VanDerWaalsContact CB-O 3.26Å; N54-D88 WeakPolarHBondContact CB-O 3.44Å; N54-D88 PolarHBondContact N-O 2.7Å; N54-D88 PolarHBondContact ND2-O 3.22Å; K55-D88 WeakPolarHBondContact CE-OD2 3.39Å; K55-D88 IonicContact NZ-OD2 2.61Å; K55-D88 PolarHBondContact NZ-OD2 3.49Å; E86-D88 PolarHBondContact O-N 3.3Å
89	N	93.9	Very high	95.7	Very high	49 Å²	49	40.8 Å²	40.8	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.4	176.4	-57.7	-66.1	0	0	0	111.1	I51 E52 S53 V85 E86 S87 I91	I51-N89 HydrophobicContact CG2-CB 3.77Å; E52-N89 CarbonylContact O-C 3.6Å; E52-N89 VanDerWaalsContact O-CA 3.3Å; E52-N89 WeakPolarHBondContact O-CA 3.25Å; S53-N89 VanDerWaalsContact CA-OD1 3.3Å; S53-N89 WeakPolarHBondContact CA-OD1 3.26Å; V85-N89 CarbonylContact C-O 3.51Å; V85-N89 VanDerWaalsContact CA-O 3.27Å; V85-N89 WeakPolarHBondContact CA-O 3.47Å; E86-N89 PolarHBondContact N-O 3.47Å; E86-N89 WeakPolarHBondContact O-CB 3.25Å; E86-N89 PolarHBondContact O-N 3.05Å; S87-N89 PolarHBondContact O-N 3.44Å; S87-N89 PolarHBondContact O-ND2 3Å; S87-N89 VanDerWaalsContact O-ND2 3.12Å; N89-I91 HydrophobicContact CB-CG1 4.4Å
90	S	95.5	Very high	95.7	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136	161.3	-71.6	0	0	0	0	108.7	E52 N54 L61	E52-S90 PolarHBondContact N-O 2.76Å; E52-S90 PolarHBondContact O-N 3.17Å; N54-S90 WeakPolarHBondContact OD1-CB 3.35Å; N54-S90 PolarHBondContact OD1-N 3.38Å; N54-S90 PolarHBondContact OD1-OG 2.95Å; L61-S90 VanDerWaalsContact CD2-O 3.25Å; L61-S90 WeakPolarHBondContact CD2-O 3.17Å
91	I	96.6	Very high	95.8	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.5	-176.7	-55.7	174.2	0	0	0	108.8	V17 V49 K50 I51 W82 F83 G84 E86 N89 V93	V17-I91 HydrophobicContact CB-CD1 4.12Å; V17-I91 HydrophobicContact CB-CG2 4.42Å; V17-I91 HydrophobicContact CG1-CD1 3.77Å; V17-I91 HydrophobicContact CG2-CG2 4.29Å; V49-I91 HydrophobicContact CG1-CG2 3.71Å; K50-I91 WeakPolarHBondContact O-CA 3.4Å; I51-I91 HydrophobicContact CG1-CG1 4.3Å; I51-I91 HydrophobicContact CG1-CG2 4.33Å; I51-I91 HydrophobicContact CG2-CG1 4.31Å; W82-I91 HydrophobicContact CE3-CG2 4.39Å; W82-I91 HydrophobicContact CZ3-CB 3.81Å; W82-I91 HydrophobicContact CZ3-CG2 3.77Å; F83-I91 WeakPolarHBondContact CA-O 3.38Å; F83-I91 VanDerWaalsContact CD2-O 3.3Å; F83-I91 WeakPolarHBondContact CD2-O 3.43Å; G84-I91 PolarHBondContact N-O 3.4Å; G84-I91 PolarHBondContact O-N 3.2Å; E86-I91 HydrophobicContact CB-CD1 3.92Å; E86-I91 HydrophobicContact CG-CD1 4.32Å; N89-I91 HydrophobicContact CB-CG1 4.4Å; I91-V93 HydrophobicContact CG2-CG2 4.37Å
92	L	96.6	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.9	178.3	179.6	60.6	0	0	0	109.3	K50 L61 Y68 I80 F83 M94	K50-L92 HydrophobicContact CB-CB 4.39Å; K50-L92 PolarHBondContact N-O 2.94Å; K50-L92 PolarHBondContact O-N 3.27Å; L61-L92 HydrophobicContact CD1-CB 3.73Å; L61-L92 HydrophobicContact CD1-CD2 3.68Å; L61-L92 HydrophobicContact CD1-CG 4.37Å; L61-L92 HydrophobicContact CD2-CB 3.92Å; L61-L92 HydrophobicContact CG-CB 3.86Å; L61-L92 HydrophobicContact CG-CD2 4.44Å; Y68-L92 HydrophobicContact CD2-CD2 4.41Å; I80-L92 HydrophobicContact CB-CD1 4.48Å; I80-L92 HydrophobicContact CD1-CD1 3.68Å; I80-L92 HydrophobicContact CG1-CD1 3.93Å; I80-L92 HydrophobicContact CG2-CD1 3.81Å; F83-L92 HydrophobicContact CB-CD1 4.05Å; F83-L92 HydrophobicContact CD2-CB 4.23Å; F83-L92 HydrophobicContact CD2-CD1 4.09Å; L92-M94 HydrophobicContact CB-CE 4.43Å; L92-M94 HydrophobicContact CD1-CE 4.45Å; L92-M94 HydrophobicContact CD2-CE 3.19Å; L92-M94 HydrophobicContact CG-CE 3.42Å; L92-M94 VanDerWaalsContact CG-CE 3.42Å
93	V	97.4	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	177.5	-176	0	0	0	0	108.9	V17 Y21 V47 A48 V49 K81 W82 I91	V17-V93 HydrophobicContact CG2-CG2 4.42Å; Y21-V93 HydrophobicContact CD1-CG1 3.91Å; Y21-V93 HydrophobicContact CD2-CB 4.46Å; Y21-V93 HydrophobicContact CD2-CG1 4.19Å; Y21-V93 HydrophobicContact CD2-CG2 3.96Å; Y21-V93 HydrophobicContact CE1-CG1 3.86Å; Y21-V93 HydrophobicContact CE2-CB 4.38Å; Y21-V93 HydrophobicContact CE2-CG1 4.14Å; Y21-V93 HydrophobicContact CE2-CG2 4.29Å; Y21-V93 HydrophobicContact CG-CG1 4.07Å; Y21-V93 HydrophobicContact CG-CG2 4.3Å; V47-V93 HydrophobicContact CB-CG1 3.77Å; V47-V93 HydrophobicContact CG1-CG1 4.22Å; V47-V93 HydrophobicContact CG2-CG1 3.65Å; A48-V93 WeakPolarHBondContact O-CA 3.22Å; V49-V93 HydrophobicContact CG1-CG2 4.23Å; V49-V93 HydrophobicContact CG2-CG2 4.22Å; K81-V93 HydrophobicContact CB-CG1 4.2Å; K81-V93 PolarHBondContact N-O 3.06Å; W82-V93 HydrophobicContact CB-CB 4.14Å; W82-V93 HydrophobicContact CB-CG2 4.42Å; W82-V93 HydrophobicContact CE3-CG2 3.87Å; W82-V93 PolarHBondContact N-O 2.91Å; W82-V93 VanDerWaalsContact N-O 3.16Å; W82-V93 PolarHBondContact O-N 3.3Å; I91-V93 HydrophobicContact CG2-CG2 4.37Å
94	M	97.1	Very high	95.8	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.089	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	172.8	-177.4	64.2	-176.3	71.3	0	0	111.6	A48 Y68 H79 L92 L96	A48-M94 HydrophobicContact CB-CG 4.12Å; A48-M94 PolarHBondContact N-O 2.92Å; A48-M94 PolarHBondContact O-N 3.31Å; Y68-M94 HydrophobicContact CE2-CE 3.96Å; Y68-M94 HydrophobicContact CE2-SD 4.42Å; H79-M94 WeakPolarHBondContact O-CA 3.01Å; H79-M94 WeakPolarHBondContact O-CB 3.44Å; L92-M94 HydrophobicContact CB-CE 4.43Å; L92-M94 HydrophobicContact CD1-CE 4.45Å; L92-M94 HydrophobicContact CD2-CE 3.19Å; L92-M94 HydrophobicContact CG-CE 3.42Å; L92-M94 VanDerWaalsContact CG-CE 3.42Å; M94-L96 PolarHBondContact O-N 2.97Å
95	D	96.6	Very high	95.9	Very high	31 Å²	31	27.8 Å²	27.8	17%	0.166	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	133.5	173.1	-64.4	-21.4	0	0	0	111.2	A78 H79 K81 L97	A78-D95 HydrophobicContact CB-CB 4.3Å; H79-D95 WeakPolarHBondContact CB-OD2 3.3Å; H79-D95 IonicContact CG-OD2 2.99Å; H79-D95 PolarHBondContact N-OD2 3.07Å; H79-D95 IonicContact ND1-OD2 3.69Å; H79-D95 PolarHBondContact ND1-OD2 2.94Å; H79-D95 PolarHBondContact O-N 3.08Å; H79-D95 VanDerWaalsContact O-N 3.11Å; K81-D95 WeakPolarHBondContact CE-OD1 3.37Å; K81-D95 IonicContact NZ-OD1 3.98Å; K81-D95 PolarHBondContact NZ-OD1 3.5Å; D95-L97 PolarHBondContact O-N 3.35Å
96	L	97.6	Very high	95.9	Very high	16 Å²	16	26.7 Å²	26.7	8%	0.084	15%	0.153	C	C	.	.			trans	-70.8	128	168.2	-176	67	0	0	0	108.8	I27 L37 E46 A48 M94 I150	I27-L96 HydrophobicContact CD1-CD1 3.78Å; L37-L96 HydrophobicContact CD1-CD1 4.29Å; L37-L96 HydrophobicContact CD1-CD2 3.67Å; E46-L96 HydrophobicContact CB-CD2 3.88Å; E46-L96 WeakPolarHBondContact OE2-CD2 3.47Å; A48-L96 HydrophobicContact CB-CD1 4.19Å; M94-L96 PolarHBondContact O-N 2.97Å; L96-I150 WeakPolarHBondContact O-CD1 3.48Å
97	L	96.8	Very high	96	Very high	20 Å²	20	26.5 Å²	26.5	11%	0.105	15%	0.151	C	C	.	.			trans	-110.2	167.8	177.2	-62.8	178.3	0	0	0	110.7	A78 D95 L147 F158 I160	A78-L97 HydrophobicContact CB-CD1 4.33Å; D95-L97 PolarHBondContact O-N 3.35Å; L97-L147 HydrophobicContact CB-CB 4.08Å; L97-L147 HydrophobicContact CB-CD2 3.8Å; L97-L147 HydrophobicContact CD1-CB 4.07Å; L97-L147 HydrophobicContact CD1-CD2 4.22Å; L97-F158 HydrophobicContact CD1-CB 3.71Å; L97-F158 HydrophobicContact CD1-CD1 4.37Å; L97-F158 HydrophobicContact CD1-CG 4.05Å; L97-F158 HydrophobicContact CD2-CB 4.34Å; L97-F158 HydrophobicContact CD2-CD1 3.89Å; L97-F158 HydrophobicContact CD2-CD2 3.89Å; L97-F158 HydrophobicContact CD2-CE1 4.13Å; L97-F158 HydrophobicContact CD2-CE2 4.13Å; L97-F158 HydrophobicContact CD2-CG 3.77Å; L97-F158 HydrophobicContact CD2-CZ 4.25Å; L97-I160 HydrophobicContact CD1-CG2 3.7Å
98	G	95.9	Very high	96.3	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	12%	0.117	C	C	.	.			trans	-81	-161.9	177.9	0	0	0	0	0	112.7	L147 M148	G98-L147 WeakPolarHBondContact O-CD2 3.13Å; G98-M148 VanDerWaalsContact CA-O 3.28Å; G98-M148 WeakPolarHBondContact CA-O 3.23Å; G98-M148 PolarHBondContact N-O 2.99Å
99	P	95.7	Very high	96.5	Very high	26 Å²	26	22.6 Å²	22.6	17%	0.169	13%	0.131	C	C	.	.			trans	-65.8	150.7	-178.3	27.5	-34.5	0	0	0	112.2	D103 L104 L147 M148	P99-D103 HydrophobicContact CB-CB 3.89Å; P99-L104 HydrophobicContact CB-CD2 4.27Å; P99-L104 HydrophobicContact CB-CG 4.06Å; P99-L104 HydrophobicContact CG-CD1 4.11Å; P99-L104 HydrophobicContact CG-CD2 3.67Å; P99-L104 HydrophobicContact CG-CG 3.84Å; P99-L147 WeakPolarHBondContact O-CA 3.15Å; P99-M148 PolarHBondContact O-N 3.18Å
100	S	97.1	Very high	96.6	Very high	9 Å²	9	24 Å²	24	6%	0.063	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-70.3	162.1	171.2	68.2	0	0	0	0	111.3	E102 D103 L104 F146	S100-E102 PolarHBondContact O-N 2.85Å; S100-E102 PolarHBondContact OG-N 3.48Å; S100-D103 WeakPolarHBondContact CB-OD2 3.42Å; S100-D103 PolarHBondContact N-OD2 3.21Å; S100-D103 WeakPolarHBondContact O-CB 3.27Å; S100-D103 PolarHBondContact O-N 3.27Å; S100-D103 VanDerWaalsContact O-N 3.15Å; S100-D103 PolarHBondContact OG-N 3.06Å; S100-D103 VanDerWaalsContact OG-N 3.09Å; S100-D103 PolarHBondContact OG-OD2 3.25Å; S100-L104 WeakPolarHBondContact O-CG 3.32Å; S100-L104 PolarHBondContact O-N 3.1Å; S100-F146 CarbonylContact C-O 3.53Å; S100-F146 VanDerWaalsContact CA-O 3.3Å; S100-F146 WeakPolarHBondContact CA-O 3.43Å
101	L	98.3	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-28.5	172.3	-65.1	-174.6	0	0	0	111.8	L104 F105 L120 M124 P143 F146 M148 L157 F218 W361	L101-L104 HydrophobicContact CD2-CD1 4.15Å; L101-F105 WeakPolarHBondContact O-CB 3.24Å; L101-F105 PolarHBondContact O-N 3.33Å; L101-L120 HydrophobicContact CD1-CD1 4.22Å; L101-L120 HydrophobicContact CD1-CD2 4.18Å; L101-L120 HydrophobicContact CD2-CD1 3.96Å; L101-L120 HydrophobicContact CD2-CD2 3.68Å; L101-L120 HydrophobicContact CD2-CG 4.49Å; L101-M124 HydrophobicContact CD1-SD 4.18Å; L101-P143 HydrophobicContact CB-CB 4.08Å; L101-P143 PolarHBondContact N-O 3.38Å; L101-F146 HydrophobicContact CD1-CB 3.65Å; L101-F146 HydrophobicContact CD1-CG 4.35Å; L101-F146 HydrophobicContact CG-CB 3.83Å; L101-F146 PolarHBondContact N-O 2.87Å; L101-M148 HydrophobicContact CD2-SD 4.27Å; L101-L157 HydrophobicContact CD1-CD1 3.99Å; L101-L157 HydrophobicContact CD1-CD2 4.37Å; L101-L157 HydrophobicContact CD2-CD1 3.74Å; L101-L157 HydrophobicContact CG-CD1 3.91Å; L101-F218 HydrophobicContact CB-CE1 4.34Å; L101-F218 HydrophobicContact CB-CZ 3.82Å; L101-F218 HydrophobicContact CD1-CE2 4.07Å; L101-F218 HydrophobicContact CD1-CZ 3.86Å; L101-F218 HydrophobicContact CG-CZ 4.49Å; L101-W361 HydrophobicContact CD2-CH2 4.18Å
102	E	97.4	Very high	96.5	Very high	21 Å²	21	32.3 Å²	32.3	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-68.7	-41.5	172.6	-170.5	62.3	-149.8	0	0	111.5	S100 L104 F105 N106 R110 P143 Y217	S100-E102 PolarHBondContact O-N 2.85Å; S100-E102 PolarHBondContact OG-N 3.48Å; E102-L104 VanDerWaalsContact C-N 3.35Å; E102-F105 PolarHBondContact O-N 3.2Å; E102-N106 PolarHBondContact O-N 3.07Å; E102-N106 PolarHBondContact O-ND2 3.04Å; E102-N106 PolarHBondContact OE1-ND2 2.93Å; E102-R110 IonicContact OE1-NH1 3.78Å; E102-R110 PolarHBondContact OE1-NH1 3.49Å; E102-R110 VanDerWaalsContact OE1-NH1 3.14Å; E102-P143 HydrophobicContact CB-CB 3.94Å; E102-Y217 VanDerWaalsContact CD-OH 3.3Å; E102-Y217 PolarHBondContact OE1-OH 3.5Å; E102-Y217 VanDerWaalsContact OE2-CE1 3.27Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.43Å; E102-Y217 PolarHBondContact OE2-OH 2.87Å
103	D	96.2	Very high	96.5	Very high	32 Å²	32	34.5 Å²	34.5	17%	0.171	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-47	175.3	-66.1	-54.9	0	0	0	110.6	P99 S100 F105 N106 F107 T380	P99-D103 HydrophobicContact CB-CB 3.89Å; S100-D103 WeakPolarHBondContact CB-OD2 3.42Å; S100-D103 PolarHBondContact N-OD2 3.21Å; S100-D103 WeakPolarHBondContact O-CB 3.27Å; S100-D103 PolarHBondContact O-N 3.27Å; S100-D103 VanDerWaalsContact O-N 3.15Å; S100-D103 PolarHBondContact OG-N 3.06Å; S100-D103 VanDerWaalsContact OG-N 3.09Å; S100-D103 PolarHBondContact OG-OD2 3.25Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 3.19Å; D103-N106 PolarHBondContact O-N 3.11Å; D103-F107 WeakPolarHBondContact O-CB 3.14Å; D103-F107 PolarHBondContact O-N 3.18Å; D103-T380 HydrophobicContact CB-CG2 4.19Å
104	L	97.7	Very high	96.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-37.4	177.8	-69.4	164.8	0	0	0	112.1	P99 S100 L101 E102 F107 C108 F112 M148 W361 M384	P99-L104 HydrophobicContact CB-CD2 4.27Å; P99-L104 HydrophobicContact CB-CG 4.06Å; P99-L104 HydrophobicContact CG-CD1 4.11Å; P99-L104 HydrophobicContact CG-CD2 3.67Å; P99-L104 HydrophobicContact CG-CG 3.84Å; S100-L104 WeakPolarHBondContact O-CG 3.32Å; S100-L104 PolarHBondContact O-N 3.1Å; L101-L104 HydrophobicContact CD2-CD1 4.15Å; E102-L104 VanDerWaalsContact C-N 3.35Å; L104-F107 PolarHBondContact O-N 3.02Å; L104-C108 WeakPolarHBondContact O-CB 3.19Å; L104-C108 PolarHBondContact O-N 3.01Å; L104-C108 PolarHBondContact O-SG 3.21Å; L104-F112 HydrophobicContact CB-CE1 4.45Å; L104-F112 HydrophobicContact CB-CZ 4.05Å; L104-M148 HydrophobicContact CD1-CG 3.52Å; L104-W361 HydrophobicContact CB-CD2 4.16Å; L104-W361 HydrophobicContact CB-CE3 3.74Å; L104-W361 HydrophobicContact CB-CZ3 4Å; L104-W361 HydrophobicContact CD1-CD2 3.96Å; L104-W361 HydrophobicContact CD1-CE3 4.12Å; L104-W361 HydrophobicContact CD1-CH2 3.87Å; L104-W361 HydrophobicContact CD1-CZ2 3.71Å; L104-W361 HydrophobicContact CD1-CZ3 4.08Å; L104-W361 HydrophobicContact CD2-CB 3.83Å; L104-W361 HydrophobicContact CD2-CD2 3.53Å; L104-W361 HydrophobicContact CD2-CE3 4.03Å; L104-W361 HydrophobicContact CD2-CG 3.44Å; L104-W361 VanDerWaalsContact CD2-CG 3.44Å; L104-W361 HydrophobicContact CG-CD2 4.07Å; L104-W361 HydrophobicContact CG-CE3 4.16Å; L104-W361 HydrophobicContact CG-CG 4.48Å; L104-W361 HydrophobicContact CG-CZ3 4.5Å; L104-M384 HydrophobicContact CD2-CE 3.57Å; L104-M384 HydrophobicContact CG-CE 4.3Å
105	F	97.7	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-44.7	176.9	-171.6	-128.6	0	0	0	111	L101 E102 D103 C108 R110 F112 Y217 F218	L101-F105 WeakPolarHBondContact O-CB 3.24Å; L101-F105 PolarHBondContact O-N 3.33Å; E102-F105 PolarHBondContact O-N 3.2Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 3.19Å; F105-C108 CarbonylContact O-C 3.52Å; F105-C108 PolarHBondContact O-N 2.75Å; F105-R110 HydrophobicContact CD1-CB 4.22Å; F105-R110 HydrophobicContact CD1-CG 4.39Å; F105-R110 HydrophobicContact CE1-CB 3.9Å; F105-R110 HydrophobicContact CE1-CG 4.44Å; F105-R110 WeakPolarHBondContact CE2-O 3.28Å; F105-R110 VanDerWaalsContact CZ-C 3.42Å; F105-R110 HydrophobicContact CZ-CB 4.13Å; F105-R110 WeakPolarHBondContact CZ-O 3.43Å; F105-R110 WeakPolarHBondContact O-CA 3.29Å; F105-R110 PolarHBondContact O-N 2.9Å; F105-F112 VanDerWaalsContact CA-CE1 3.49Å; F105-F112 HydrophobicContact CB-CE1 4.18Å; F105-F112 HydrophobicContact CB-CE2 4.07Å; F105-F112 HydrophobicContact CB-CZ 3.67Å; F105-F112 HydrophobicContact CD2-CD1 4.01Å; F105-F112 AromaticContact CD2-CD2 3.89Å; F105-F112 HydrophobicContact CD2-CD2 3.89Å; F105-F112 AromaticContact CD2-CE1 4Å; F105-F112 HydrophobicContact CD2-CE1 4Å; F105-F112 AromaticContact CD2-CE2 3.86Å; F105-F112 HydrophobicContact CD2-CE2 3.86Å; F105-F112 AromaticContact CD2-CG 3.95Å; F105-F112 HydrophobicContact CD2-CG 3.95Å; F105-F112 AromaticContact CD2-CZ 3.92Å; F105-F112 HydrophobicContact CD2-CZ 3.92Å; F105-F112 HydrophobicContact CE2-CD2 4.41Å; F105-F112 HydrophobicContact CE2-CG 4.37Å; F105-F112 HydrophobicContact CG-CE2 4.4Å; F105-F112 HydrophobicContact CG-CZ 4.31Å; F105-Y217 HydrophobicContact CD1-CD1 4.48Å; F105-Y217 AromaticContact CD1-CE1 3.63Å; F105-Y217 HydrophobicContact CD1-CE1 3.63Å; F105-Y217 AromaticContact CD1-CZ 3.88Å; F105-Y217 HydrophobicContact CE1-CD1 4.07Å; F105-Y217 AromaticContact CE1-CE1 3.47Å; F105-Y217 HydrophobicContact CE1-CE1 3.47Å; F105-Y217 VanDerWaalsContact CE1-CE1 3.47Å; F105-Y217 HydrophobicContact CE1-CE2 4.12Å; F105-Y217 AromaticContact CE1-CZ 3.53Å; F105-Y217 HydrophobicContact CZ-CE1 4.34Å; F105-Y217 WeakPolarHBondContact CZ-O 3.09Å; F105-F218 HydrophobicContact CB-CE1 4.44Å; F105-F218 HydrophobicContact CD1-CD1 4.5Å; F105-F218 AromaticContact CD2-CD1 3.88Å; F105-F218 HydrophobicContact CD2-CD1 3.88Å; F105-F218 HydrophobicContact CE2-CB 4.37Å; F105-F218 HydrophobicContact CE2-CD1 4.03Å; F105-F218 WeakPolarHBondContact CE2-O 3.42Å; F105-F218 HydrophobicContact CG-CD1 4.1Å; F105-F218 HydrophobicContact CG-CE1 4.41Å; F105-F218 HydrophobicContact CZ-CD1 4.36Å
106	N	96.3	Very high	96.6	Very high	63 Å²	63	35.3 Å²	35.3	34%	0.337	18%	0.18	S	C	.	.	H	α-helix	trans	-65.4	-39.1	175.4	-69.7	-50.1	0	0	0	112	E102 D103 C108 S109 R110	E102-N106 PolarHBondContact O-N 3.07Å; E102-N106 PolarHBondContact O-ND2 3.04Å; E102-N106 PolarHBondContact OE1-ND2 2.93Å; D103-N106 PolarHBondContact O-N 3.11Å; N106-C108 VanDerWaalsContact C-N 3.32Å; N106-C108 PolarHBondContact O-N 3.43Å; N106-S109 PolarHBondContact O-N 3.26Å; N106-S109 VanDerWaalsContact O-N 3.07Å; N106-R110 WeakPolarHBondContact OD1-CG 3.5Å; N106-R110 PolarHBondContact OD1-NH1 3.35Å
107	F	95.5	Very high	96.7	Very high	52 Å²	52	34.5 Å²	34.5	23%	0.228	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-38.4	173.7	178.4	-107.3	0	0	0	113	D103 L104 S109 W361 L364 M384	D103-F107 WeakPolarHBondContact O-CB 3.14Å; D103-F107 PolarHBondContact O-N 3.18Å; L104-F107 PolarHBondContact O-N 3.02Å; F107-S109 PolarHBondContact O-N 3.35Å; F107-S109 VanDerWaalsContact O-N 3.11Å; F107-W361 HydrophobicContact CD1-CB 3.87Å; F107-W361 HydrophobicContact CE1-CB 3.97Å; F107-L364 HydrophobicContact CD1-CD1 4.11Å; F107-L364 HydrophobicContact CE1-CB 3.63Å; F107-L364 HydrophobicContact CE1-CD1 3.93Å; F107-L364 HydrophobicContact CE1-CG 4.45Å; F107-L364 HydrophobicContact CZ-CB 4.02Å; F107-M384 HydrophobicContact CB-CE 3.25Å; F107-M384 HydrophobicContact CB-SD 3.78Å; F107-M384 HydrophobicContact CD1-CE 3.88Å; F107-M384 HydrophobicContact CD1-SD 3.6Å; F107-M384 HydrophobicContact CD2-CE 3.99Å; F107-M384 HydrophobicContact CD2-SD 3.26Å; F107-M384 WeakPolarHBondContact CD2-SD 3.36Å; F107-M384 HydrophobicContact CE1-SD 3.89Å; F107-M384 HydrophobicContact CE2-SD 3.59Å; F107-M384 VanDerWaalsContact CE2-SD 3.59Å; F107-M384 HydrophobicContact CG-CE 3.46Å; F107-M384 VanDerWaalsContact CG-CE 3.46Å; F107-M384 HydrophobicContact CG-SD 3.26Å; F107-M384 WeakPolarHBondContact CG-SD 3.5Å; F107-M384 HydrophobicContact CZ-SD 3.9Å
108	C	96	Very high	96.8	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.074	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	26	174	-57.5	0	0	0	0	112.7	L104 F105 N106 R110 R111 F112 L364	L104-C108 WeakPolarHBondContact O-CB 3.19Å; L104-C108 PolarHBondContact O-N 3.01Å; L104-C108 PolarHBondContact O-SG 3.21Å; F105-C108 CarbonylContact O-C 3.52Å; F105-C108 PolarHBondContact O-N 2.75Å; N106-C108 VanDerWaalsContact C-N 3.32Å; N106-C108 PolarHBondContact O-N 3.43Å; C108-R110 PolarHBondContact O-N 3.5Å; C108-R111 PolarHBondContact O-N 3.01Å; C108-F112 HydrophobicContact CB-CD1 3.9Å; C108-F112 HydrophobicContact CB-CE1 3.85Å; C108-L364 HydrophobicContact CB-CD1 4.29Å
109	S	95.1	Very high	96.9	Very high	107 Å²	107	33.4 Å²	33.4	75%	0.748	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.4	179.4	-59.2	0	0	0	0	113.7	N106 F107 R111	N106-S109 PolarHBondContact O-N 3.26Å; N106-S109 VanDerWaalsContact O-N 3.07Å; F107-S109 PolarHBondContact O-N 3.35Å; F107-S109 VanDerWaalsContact O-N 3.11Å; S109-R111 VanDerWaalsContact C-N 3.27Å; S109-R111 PolarHBondContact O-N 3.11Å
110	R	95.4	Very high	97	Very high	79 Å²	79	32.2 Å²	32.2	30%	0.298	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.6	179.8	-54.8	-178.4	56.6	70.3	9.7	113.9	E102 F105 N106 C108 Y217 G221	E102-R110 IonicContact OE1-NH1 3.78Å; E102-R110 PolarHBondContact OE1-NH1 3.49Å; E102-R110 VanDerWaalsContact OE1-NH1 3.14Å; F105-R110 HydrophobicContact CD1-CB 4.22Å; F105-R110 HydrophobicContact CD1-CG 4.39Å; F105-R110 HydrophobicContact CE1-CB 3.9Å; F105-R110 HydrophobicContact CE1-CG 4.44Å; F105-R110 WeakPolarHBondContact CE2-O 3.28Å; F105-R110 VanDerWaalsContact CZ-C 3.42Å; F105-R110 HydrophobicContact CZ-CB 4.13Å; F105-R110 WeakPolarHBondContact CZ-O 3.43Å; F105-R110 WeakPolarHBondContact O-CA 3.29Å; F105-R110 PolarHBondContact O-N 2.9Å; N106-R110 WeakPolarHBondContact OD1-CG 3.5Å; N106-R110 PolarHBondContact OD1-NH1 3.35Å; C108-R110 PolarHBondContact O-N 3.5Å; R110-Y217 PolarHBondContact NH1-OH 3.06Å; R110-Y217 VanDerWaalsContact NH2-CE2 3.3Å; R110-Y217 VanDerWaalsContact NH2-CZ 3.33Å; R110-Y217 PolarHBondContact NH2-OH 3.38Å; R110-G221 PolarHBondContact NH2-O 3.2Å; R110-G221 VanDerWaalsContact O-CA 3.24Å; R110-G221 WeakPolarHBondContact O-CA 3.5Å
111	R	91.9	Very high	97.1	Very high	178 Å²	178	31.8 Å²	31.8	67%	0.672	16%	0.158	S	C	*	.			trans	-144.3	120.2	174.2	-173.6	176.7	174.4	86.4	-1.5	109.1	C108 S109	C108-R111 PolarHBondContact O-N 3.01Å; S109-R111 VanDerWaalsContact C-N 3.27Å; S109-R111 PolarHBondContact O-N 3.11Å
112	F	97.9	Very high	97.1	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.026	16%	0.162	C	C	.	.			trans	-97.5	148.7	165.9	-69.4	-27.9	0	0	0	110.4	L104 F105 C108 T116 V117 L120 F218 D360 W361	L104-F112 HydrophobicContact CB-CE1 4.45Å; L104-F112 HydrophobicContact CB-CZ 4.05Å; F105-F112 VanDerWaalsContact CA-CE1 3.49Å; F105-F112 HydrophobicContact CB-CE1 4.18Å; F105-F112 HydrophobicContact CB-CE2 4.07Å; F105-F112 HydrophobicContact CB-CZ 3.67Å; F105-F112 HydrophobicContact CD2-CD1 4.01Å; F105-F112 AromaticContact CD2-CD2 3.89Å; F105-F112 HydrophobicContact CD2-CD2 3.89Å; F105-F112 AromaticContact CD2-CE1 4Å; F105-F112 HydrophobicContact CD2-CE1 4Å; F105-F112 AromaticContact CD2-CE2 3.86Å; F105-F112 HydrophobicContact CD2-CE2 3.86Å; F105-F112 AromaticContact CD2-CG 3.95Å; F105-F112 HydrophobicContact CD2-CG 3.95Å; F105-F112 AromaticContact CD2-CZ 3.92Å; F105-F112 HydrophobicContact CD2-CZ 3.92Å; F105-F112 HydrophobicContact CE2-CD2 4.41Å; F105-F112 HydrophobicContact CE2-CG 4.37Å; F105-F112 HydrophobicContact CG-CE2 4.4Å; F105-F112 HydrophobicContact CG-CZ 4.31Å; C108-F112 HydrophobicContact CB-CD1 3.9Å; C108-F112 HydrophobicContact CB-CE1 3.85Å; F112-T116 HydrophobicContact CB-CG2 3.88Å; F112-T116 HydrophobicContact CD1-CG2 4.07Å; F112-T116 HydrophobicContact CD2-CG2 4.02Å; F112-T116 HydrophobicContact CG-CG2 3.75Å; F112-V117 HydrophobicContact CB-CG2 3.69Å; F112-L120 HydrophobicContact CD2-CD1 4.12Å; F112-L120 HydrophobicContact CE2-CD1 3.96Å; F112-F218 HydrophobicContact CB-CB 4.49Å; F112-F218 HydrophobicContact CD2-CB 3.83Å; F112-F218 AromaticContact CD2-CD1 3.69Å; F112-F218 HydrophobicContact CD2-CD1 3.69Å; F112-F218 HydrophobicContact CD2-CD2 4.25Å; F112-F218 HydrophobicContact CD2-CE1 4.28Å; F112-F218 AromaticContact CD2-CG 3.68Å; F112-F218 HydrophobicContact CD2-CG 3.68Å; F112-F218 AromaticContact CE2-CD1 3.64Å; F112-F218 HydrophobicContact CE2-CD1 3.64Å; F112-F218 HydrophobicContact CE2-CD2 4.47Å; F112-F218 AromaticContact CE2-CE1 3.77Å; F112-F218 HydrophobicContact CE2-CE1 3.77Å; F112-F218 HydrophobicContact CE2-CG 4.02Å; F112-F218 HydrophobicContact CE2-CZ 4.26Å; F112-D360 WeakPolarHBondContact CA-OD2 3.37Å; F112-W361 HydrophobicContact CD1-CZ3 4.4Å; F112-W361 AromaticContact CE1-CE3 3.85Å; F112-W361 HydrophobicContact CE1-CE3 3.85Å; F112-W361 AromaticContact CE1-CZ3 3.71Å; F112-W361 HydrophobicContact CE1-CZ3 3.71Å; F112-W361 HydrophobicContact CE2-CZ3 4.26Å; F112-W361 HydrophobicContact CZ-CE3 4.15Å; F112-W361 AromaticContact CZ-CZ3 3.63Å; F112-W361 HydrophobicContact CZ-CZ3 3.63Å
113	S	97.2	Very high	97.1	Very high	45 Å²	45	32.3 Å²	32.3	32%	0.315	16%	0.161	S	C	.	.			trans	-68.6	154.8	167.9	72.7	0	0	0	0	110.3	K115 T116 V117 D360	S113-K115 PolarHBondContact O-N 3.29Å; S113-T116 PolarHBondContact O-N 3.22Å; S113-T116 VanDerWaalsContact O-N 3.12Å; S113-T116 PolarHBondContact OG-N 3.44Å; S113-T116 PolarHBondContact OG-OG1 3.35Å; S113-V117 WeakPolarHBondContact O-CG2 3.26Å; S113-V117 PolarHBondContact O-N 2.92Å; S113-D360 VanDerWaalsContact CB-OD1 3.27Å; S113-D360 WeakPolarHBondContact CB-OD1 3.49Å; S113-D360 PolarHBondContact N-OD2 3.29Å; S113-D360 PolarHBondContact OG-OD1 3.01Å; S113-D360 PolarHBondContact OG-OD2 3.1Å
114	M	97.9	Very high	97.2	Very high	29 Å²	29	30.8 Å²	30.8	14%	0.143	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-38.9	176.5	-172.1	58.3	66.7	0	0	111.4	T116 V117 L118 Y315 P316 F319 M351 Y353	M114-T116 PolarHBondContact O-N 2.88Å; M114-V117 PolarHBondContact O-N 3.31Å; M114-L118 HydrophobicContact CG-CD1 3.86Å; M114-L118 HydrophobicContact CG-CG 4.21Å; M114-L118 WeakPolarHBondContact O-CB 3.48Å; M114-L118 WeakPolarHBondContact O-CG 3.36Å; M114-L118 PolarHBondContact O-N 3.42Å; M114-L118 HydrophobicContact SD-CD1 4.24Å; M114-L118 HydrophobicContact SD-CD2 4.33Å; M114-L118 HydrophobicContact SD-CG 4.07Å; M114-Y315 HydrophobicContact CE-CD1 3.99Å; M114-P316 HydrophobicContact CE-CG 4.22Å; M114-F319 HydrophobicContact CE-CE2 3.86Å; M114-F319 HydrophobicContact CE-CZ 4.27Å; M114-F319 HydrophobicContact SD-CE2 3.55Å; M114-F319 VanDerWaalsContact SD-CE2 3.55Å; M114-F319 HydrophobicContact SD-CZ 3.62Å; M114-M351 HydrophobicContact CB-CE 4.36Å; M114-M351 HydrophobicContact CG-CE 4Å; M114-M351 HydrophobicContact CG-SD 3.62Å; M114-Y353 HydrophobicContact CB-CE2 4.15Å; M114-Y353 HydrophobicContact CG-CE2 4.14Å
115	K	98	Very high	97.3	Very high	37 Å²	37	30.6 Å²	30.6	16%	0.161	15%	0.152	C	C	.	.	H	α-helix	trans	-55.7	-51.2	174.4	-176.1	-174.9	172.3	-172.8	0	111.5	S113 L118 M119 F348 Y353 Q354 D356	S113-K115 PolarHBondContact O-N 3.29Å; K115-L118 PolarHBondContact O-N 3.02Å; K115-M119 HydrophobicContact CG-CE 4.25Å; K115-M119 WeakPolarHBondContact O-CG 3.26Å; K115-M119 PolarHBondContact O-N 3.43Å; K115-F348 HydrophobicContact CG-CE2 3.83Å; K115-F348 HydrophobicContact CG-CZ 4.2Å; K115-Y353 HydrophobicContact CB-CD1 4.07Å; K115-Y353 HydrophobicContact CB-CD2 3.93Å; K115-Y353 HydrophobicContact CB-CE1 4.16Å; K115-Y353 HydrophobicContact CB-CE2 4Å; K115-Y353 HydrophobicContact CB-CG 3.97Å; K115-Y353 HydrophobicContact CD-CD1 4.37Å; K115-Y353 HydrophobicContact CD-CG 4.47Å; K115-Y353 HydrophobicContact CG-CD1 4.26Å; K115-Y353 HydrophobicContact CG-CD2 4.28Å; K115-Y353 HydrophobicContact CG-CG 3.99Å; K115-Q354 WeakPolarHBondContact CE-O 3.35Å; K115-D356 WeakPolarHBondContact CE-OD1 3.33Å; K115-D356 IonicContact NZ-OD1 2.8Å; K115-D356 PolarHBondContact NZ-OD1 3.26Å; K115-D356 IonicContact NZ-OD2 2.7Å; K115-D356 PolarHBondContact NZ-OD2 3.35Å
116	T	98.1	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-46.5	177.7	-74.2	0	0	0	0	111.6	F112 S113 M114 L118 M119 L120 F359 D360 W361	F112-T116 HydrophobicContact CB-CG2 3.88Å; F112-T116 HydrophobicContact CD1-CG2 4.07Å; F112-T116 HydrophobicContact CD2-CG2 4.02Å; F112-T116 HydrophobicContact CG-CG2 3.75Å; S113-T116 PolarHBondContact O-N 3.22Å; S113-T116 VanDerWaalsContact O-N 3.12Å; S113-T116 PolarHBondContact OG-N 3.44Å; S113-T116 PolarHBondContact OG-OG1 3.35Å; M114-T116 PolarHBondContact O-N 2.88Å; T116-L118 PolarHBondContact O-N 3.23Å; T116-M119 PolarHBondContact O-N 2.93Å; T116-L120 HydrophobicContact CG2-CD1 3.87Å; T116-L120 HydrophobicContact CG2-CG 4.44Å; T116-L120 WeakPolarHBondContact O-CB 3.45Å; T116-L120 VanDerWaalsContact O-CG 3.29Å; T116-L120 WeakPolarHBondContact O-CG 3.28Å; T116-L120 PolarHBondContact O-N 3.49Å; T116-F359 HydrophobicContact CG2-CD1 4.13Å; T116-D360 WeakPolarHBondContact CB-OD2 3.29Å; T116-D360 PolarHBondContact OG1-N 3.05Å; T116-D360 VanDerWaalsContact OG1-N 3.09Å; T116-D360 PolarHBondContact OG1-OD1 3.23Å; T116-D360 PolarHBondContact OG1-OD2 3.14Å; T116-W361 HydrophobicContact CG2-CH2 4.29Å; T116-W361 HydrophobicContact CG2-CZ3 3.84Å
117	V	98.5	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-44.1	179.4	175.8	0	0	0	0	111.7	F112 S113 M114 L120 A121 L215 F218 F319	F112-V117 HydrophobicContact CB-CG2 3.69Å; S113-V117 WeakPolarHBondContact O-CG2 3.26Å; S113-V117 PolarHBondContact O-N 2.92Å; M114-V117 PolarHBondContact O-N 3.31Å; V117-L120 PolarHBondContact O-N 3.11Å; V117-A121 WeakPolarHBondContact O-CB 3.46Å; V117-A121 PolarHBondContact O-N 2.99Å; V117-L215 HydrophobicContact CG1-CB 4.47Å; V117-L215 HydrophobicContact CG1-CD2 4.18Å; V117-F218 HydrophobicContact CG2-CB 3.75Å; V117-F319 HydrophobicContact CG1-CE1 4.16Å; V117-F319 HydrophobicContact CG1-CZ 4.15Å
118	L	98.6	Very high	97.6	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-70.4	-38.4	-179.1	-66.1	175	0	0	0	113	M114 K115 T116 A121 D122 F319 F344 L347 F348 M351 Y353	M114-L118 HydrophobicContact CG-CD1 3.86Å; M114-L118 HydrophobicContact CG-CG 4.21Å; M114-L118 WeakPolarHBondContact O-CB 3.48Å; M114-L118 WeakPolarHBondContact O-CG 3.36Å; M114-L118 PolarHBondContact O-N 3.42Å; M114-L118 HydrophobicContact SD-CD1 4.24Å; M114-L118 HydrophobicContact SD-CD2 4.33Å; M114-L118 HydrophobicContact SD-CG 4.07Å; K115-L118 PolarHBondContact O-N 3.02Å; T116-L118 PolarHBondContact O-N 3.23Å; L118-A121 PolarHBondContact O-N 3.5Å; L118-D122 PolarHBondContact O-N 3.31Å; L118-D122 VanDerWaalsContact O-N 3.15Å; L118-F319 HydrophobicContact CD2-CZ 4.01Å; L118-F344 HydrophobicContact CD2-CB 3.79Å; L118-F344 HydrophobicContact CD2-CD1 3.52Å; L118-F344 HydrophobicContact CD2-CE1 4.45Å; L118-F344 HydrophobicContact CD2-CG 3.95Å; L118-L347 HydrophobicContact CD1-CD2 4.07Å; L118-L347 HydrophobicContact CD1-CG 3.96Å; L118-L347 HydrophobicContact CD2-CD2 3.78Å; L118-L347 HydrophobicContact CD2-CG 4.42Å; L118-F348 HydrophobicContact CB-CD2 3.74Å; L118-F348 HydrophobicContact CB-CE2 4.49Å; L118-F348 HydrophobicContact CD1-CB 4.18Å; L118-F348 HydrophobicContact CD1-CD2 4.09Å; L118-M351 HydrophobicContact CD1-SD 4.49Å; L118-Y353 HydrophobicContact CD1-CD2 4.3Å; L118-Y353 HydrophobicContact CD1-CE2 4.3Å
119	M	98	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-40.6	173	-70	-166.9	-61.1	0	0	111.8	K115 T116 Q123 F348 Y355 T358 F359	K115-M119 HydrophobicContact CG-CE 4.25Å; K115-M119 WeakPolarHBondContact O-CG 3.26Å; K115-M119 PolarHBondContact O-N 3.43Å; T116-M119 PolarHBondContact O-N 2.93Å; M119-Q123 PolarHBondContact O-N 2.84Å; M119-F348 HydrophobicContact CG-CE2 3.58Å; M119-F348 HydrophobicContact CG-CZ 3.94Å; M119-F348 HydrophobicContact SD-CE2 4.46Å; M119-F348 HydrophobicContact SD-CZ 4.35Å; M119-Y355 HydrophobicContact CB-CE2 4.21Å; M119-Y355 HydrophobicContact CG-CD2 4.03Å; M119-Y355 HydrophobicContact CG-CE2 3.79Å; M119-Y355 HydrophobicContact SD-CD2 4.47Å; M119-Y355 HydrophobicContact SD-CE2 4.49Å; M119-T358 VanDerWaalsContact CE-O 3.27Å; M119-T358 WeakPolarHBondContact CE-O 3.46Å; M119-F359 HydrophobicContact CB-CE1 3.87Å; M119-F359 HydrophobicContact CE-CD1 3.65Å; M119-F359 HydrophobicContact CE-CE1 3.79Å; M119-F359 HydrophobicContact CE-CG 4.18Å; M119-F359 HydrophobicContact CE-CZ 4.41Å
120	L	98.5	Very high	97.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-43.3	174.5	-72.4	174.7	0	0	0	111.1	L101 F112 T116 V117 D122 Q123 M124 L157 F359 W361	L101-L120 HydrophobicContact CD1-CD1 4.22Å; L101-L120 HydrophobicContact CD1-CD2 4.18Å; L101-L120 HydrophobicContact CD2-CD1 3.96Å; L101-L120 HydrophobicContact CD2-CD2 3.68Å; L101-L120 HydrophobicContact CD2-CG 4.49Å; F112-L120 HydrophobicContact CD2-CD1 4.12Å; F112-L120 HydrophobicContact CE2-CD1 3.96Å; T116-L120 HydrophobicContact CG2-CD1 3.87Å; T116-L120 HydrophobicContact CG2-CG 4.44Å; T116-L120 WeakPolarHBondContact O-CB 3.45Å; T116-L120 VanDerWaalsContact O-CG 3.29Å; T116-L120 WeakPolarHBondContact O-CG 3.28Å; T116-L120 PolarHBondContact O-N 3.49Å; V117-L120 PolarHBondContact O-N 3.11Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3.04Å; L120-Q123 PolarHBondContact O-N 3.44Å; L120-M124 HydrophobicContact CB-SD 4.44Å; L120-M124 WeakPolarHBondContact O-CB 3.34Å; L120-M124 WeakPolarHBondContact O-CG 3.41Å; L120-M124 PolarHBondContact O-N 3.41Å; L120-L157 HydrophobicContact CD2-CD1 4.14Å; L120-L157 HydrophobicContact CD2-CD2 4.43Å; L120-F359 HydrophobicContact CD2-CD1 4.47Å; L120-F359 HydrophobicContact CD2-CE1 3.91Å; L120-F359 HydrophobicContact CG-CD1 4.42Å; L120-F359 HydrophobicContact CG-CE1 4.07Å; L120-W361 HydrophobicContact CD1-CH2 4.14Å; L120-W361 HydrophobicContact CD1-CZ3 4.44Å; L120-W361 HydrophobicContact CD2-CH2 4.22Å
121	A	98.7	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.9	-46.3	178	0	0	0	0	0	112.2	V117 L118 Q123 M124 I125 L215 F344	V117-A121 WeakPolarHBondContact O-CB 3.46Å; V117-A121 PolarHBondContact O-N 2.99Å; L118-A121 PolarHBondContact O-N 3.5Å; A121-Q123 VanDerWaalsContact C-N 3.34Å; A121-Q123 PolarHBondContact O-N 3.09Å; A121-M124 PolarHBondContact O-N 3.31Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.39Å; A121-I125 PolarHBondContact O-N 3.16Å; A121-L215 HydrophobicContact CB-CD1 3.79Å; A121-L215 HydrophobicContact CB-CD2 3.72Å; A121-L215 HydrophobicContact CB-CG 4.43Å; A121-F344 HydrophobicContact CB-CD2 3.66Å; A121-F344 HydrophobicContact CB-CE2 4.06Å; A121-F344 HydrophobicContact CB-CG 4.12Å
122	D	98.2	Very high	98.4	Very high	19 Å²	19	14.3 Å²	14.3	10%	0.102	8%	0.075	C	C	.	.	H	α-helix	trans	-59.5	-43.9	178	-173.8	74.4	0	0	0	112.2	L118 L120 G126 R341 R345	L118-D122 PolarHBondContact O-N 3.31Å; L118-D122 VanDerWaalsContact O-N 3.15Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3.04Å; D122-G126 PolarHBondContact O-N 3.32Å; D122-R341 VanDerWaalsContact CG-NH2 3.29Å; D122-R341 IonicContact OD1-CZ 3.35Å; D122-R341 IonicContact OD1-NE 3.48Å; D122-R341 PolarHBondContact OD1-NE 3Å; D122-R341 IonicContact OD1-NH2 2.87Å; D122-R341 PolarHBondContact OD1-NH2 3.13Å; D122-R341 IonicContact OD2-CZ 3.49Å; D122-R341 IonicContact OD2-NE 2.87Å; D122-R341 IonicContact OD2-NH2 3.91Å; D122-R341 PolarHBondContact OD2-NH2 3.06Å; D122-R345 IonicContact OD1-CZ 3.34Å; D122-R345 IonicContact OD1-NE 2.76Å; D122-R345 PolarHBondContact OD1-NE 3.22Å; D122-R345 IonicContact OD1-NH2 3.47Å; D122-R345 PolarHBondContact OD1-NH2 3.49Å; D122-R345 IonicContact OD2-NH2 3.01Å
123	Q	98.4	Very high	98.3	Very high	13 Å²	13	17.9 Å²	17.9	6%	0.061	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-47.5	177.8	-66	-161.9	61.5	0	0	111.9	M119 L120 A121 I125 G126 R127 N155 L157	M119-Q123 PolarHBondContact O-N 2.84Å; L120-Q123 PolarHBondContact O-N 3.44Å; A121-Q123 VanDerWaalsContact C-N 3.34Å; A121-Q123 PolarHBondContact O-N 3.09Å; Q123-I125 PolarHBondContact O-N 3.43Å; Q123-G126 PolarHBondContact O-N 3.38Å; Q123-R127 WeakPolarHBondContact O-CG 3.2Å; Q123-R127 PolarHBondContact O-N 3.05Å; Q123-R127 VanDerWaalsContact OE1-NH2 3.15Å; Q123-N155 PolarHBondContact NE2-O 3.06Å; Q123-L157 HydrophobicContact CB-CB 3.97Å; Q123-L157 HydrophobicContact CB-CD2 4.15Å
124	M	98.8	Very high	98.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58	-48.5	-178.2	-72.8	175.6	77.2	0	0	111.5	L101 L120 A121 G126 R127 I128 F146 L157 M211 V214 L215 F218	L101-M124 HydrophobicContact CD1-SD 4.18Å; L120-M124 HydrophobicContact CB-SD 4.44Å; L120-M124 WeakPolarHBondContact O-CB 3.34Å; L120-M124 WeakPolarHBondContact O-CG 3.41Å; L120-M124 PolarHBondContact O-N 3.41Å; A121-M124 PolarHBondContact O-N 3.31Å; M124-G126 VanDerWaalsContact C-N 3.32Å; M124-G126 PolarHBondContact O-N 3.33Å; M124-R127 PolarHBondContact O-N 2.77Å; M124-R127 VanDerWaalsContact O-N 3.16Å; M124-I128 PolarHBondContact O-N 3.07Å; M124-F146 HydrophobicContact CB-CE1 4.28Å; M124-F146 HydrophobicContact CE-CD2 3.81Å; M124-F146 HydrophobicContact CE-CE1 4.38Å; M124-F146 HydrophobicContact CE-CE2 3.56Å; M124-F146 HydrophobicContact CE-CG 4.33Å; M124-F146 HydrophobicContact CE-CZ 3.87Å; M124-F146 HydrophobicContact CG-CD1 4.11Å; M124-F146 HydrophobicContact CG-CE1 4.01Å; M124-F146 HydrophobicContact CG-CZ 4.36Å; M124-L157 HydrophobicContact CB-CD2 4.35Å; M124-L157 HydrophobicContact CG-CD2 3.34Å; M124-M211 HydrophobicContact CB-CE 3.91Å; M124-M211 HydrophobicContact CB-CG 4.46Å; M124-M211 HydrophobicContact CB-SD 3.73Å; M124-M211 HydrophobicContact CE-CG 4.06Å; M124-M211 WeakPolarHBondContact O-CE 3.5Å; M124-V214 HydrophobicContact CE-CB 4.38Å; M124-V214 HydrophobicContact CE-CG1 3.75Å; M124-L215 HydrophobicContact SD-CD2 4.2Å; M124-F218 HydrophobicContact SD-CE2 4.37Å
125	I	98.8	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.8	-46.2	178	-63.5	165.1	0	0	0	109.8	A121 Q123 R127 I128 E129 M208 M211 Y322 Y337 L340 R341 F344	A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.39Å; A121-I125 PolarHBondContact O-N 3.16Å; Q123-I125 PolarHBondContact O-N 3.43Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 2.92Å; I125-I128 PolarHBondContact O-N 3.05Å; I125-E129 VanDerWaalsContact O-CB 3.27Å; I125-E129 WeakPolarHBondContact O-CB 3.46Å; I125-E129 PolarHBondContact O-N 3.37Å; I125-M208 HydrophobicContact CB-CE 4.47Å; I125-M208 HydrophobicContact CG1-CE 4.15Å; I125-M208 HydrophobicContact CG2-CE 3.88Å; I125-M211 HydrophobicContact CB-SD 4.27Å; I125-M211 HydrophobicContact CG1-SD 3.47Å; I125-M211 WeakPolarHBondContact CG1-SD 3.41Å; I125-Y322 HydrophobicContact CD1-CE2 3.94Å; I125-Y322 HydrophobicContact CG1-CE2 4.37Å; I125-Y337 HydrophobicContact CG2-CD1 4.21Å; I125-L340 HydrophobicContact CD1-CB 4.3Å; I125-R341 HydrophobicContact CB-CG 3.83Å; I125-R341 HydrophobicContact CD1-CG 3.94Å; I125-R341 HydrophobicContact CG2-CG 3.56Å; I125-F344 HydrophobicContact CD1-CD2 3.94Å; I125-F344 HydrophobicContact CD1-CE2 4.07Å
126	G	98.5	Very high	98.4	Very high	15 Å²	15	16.9 Å²	16.9	16%	0.155	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-33.5	177.7	0	0	0	0	0	113.9	D122 Q123 M124 F130	D122-G126 PolarHBondContact O-N 3.32Å; Q123-G126 PolarHBondContact O-N 3.38Å; M124-G126 VanDerWaalsContact C-N 3.32Å; M124-G126 PolarHBondContact O-N 3.33Å; G126-F130 PolarHBondContact O-N 2.76Å
127	R	98.6	Very high	98.4	Very high	23 Å²	23	16.9 Å²	16.9	9%	0.087	9%	0.086	C	C	.	.	H	α-helix	trans	-68.2	-47	174.7	-62.3	-46.9	172.9	-100.9	-4.7	112	I75 Q123 M124 I125 F130 V131 F146 L157 V159	I75-R127 WeakPolarHBondContact O-CD 3.35Å; I75-R127 PolarHBondContact O-NE 3.01Å; Q123-R127 WeakPolarHBondContact O-CG 3.2Å; Q123-R127 PolarHBondContact O-N 3.05Å; Q123-R127 VanDerWaalsContact OE1-NH2 3.15Å; M124-R127 PolarHBondContact O-N 2.77Å; M124-R127 VanDerWaalsContact O-N 3.16Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 2.92Å; R127-F130 WeakPolarHBondContact O-CB 3.5Å; R127-F130 PolarHBondContact O-N 2.74Å; R127-V131 WeakPolarHBondContact O-CG2 3.28Å; R127-V131 PolarHBondContact O-N 2.78Å; R127-V131 VanDerWaalsContact O-N 3.14Å; R127-F146 HydrophobicContact CB-CE1 4.48Å; R127-L157 PolarHBondContact NE-O 2.85Å; R127-L157 PolarHBondContact NH2-O 2.57Å; R127-V159 HydrophobicContact CB-CB 4.35Å; R127-V159 HydrophobicContact CB-CG1 4.05Å
128	I	98.8	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71.8	-36.1	-178	-64.1	-47.6	0	0	0	111.4	M124 I125 F130 V131 H132 H138 I141 F146 V159 D207 M208 M211	M124-I128 PolarHBondContact O-N 3.07Å; I125-I128 PolarHBondContact O-N 3.05Å; I128-F130 VanDerWaalsContact C-N 3.31Å; I128-F130 PolarHBondContact O-N 2.88Å; I128-V131 PolarHBondContact O-N 2.87Å; I128-H132 WeakPolarHBondContact CG2-CE1 3.41Å; I128-H132 WeakPolarHBondContact CG2-NE2 3.47Å; I128-H132 WeakPolarHBondContact O-CB 3.43Å; I128-H132 PolarHBondContact O-CD2 2.83Å; I128-H132 PolarHBondContact O-N 3.35Å; I128-H138 HydrophobicContact CD1-CB 4.45Å; I128-I141 HydrophobicContact CD1-CD1 3.38Å; I128-I141 HydrophobicContact CG1-CD1 3.83Å; I128-F146 HydrophobicContact CD1-CZ 4.11Å; I128-F146 HydrophobicContact CG1-CZ 4.17Å; I128-V159 HydrophobicContact CD1-CG2 4.24Å; I128-D207 HydrophobicContact CG2-CB 4.03Å; I128-M208 HydrophobicContact CG2-SD 3.87Å; I128-M211 HydrophobicContact CB-CE 3.73Å; I128-M211 HydrophobicContact CG1-CE 3.27Å; I128-M211 HydrophobicContact CG2-CE 4.39Å
129	E	98.7	Very high	98.4	Very high	58 Å²	58	18.7 Å²	18.7	27%	0.271	9%	0.093	S	C	.	.	H	α-helix	trans	-53.4	-48.7	168.6	178	176.1	-158.8	0	0	111.2	I125 V131 H132 V133 Y337	I125-E129 VanDerWaalsContact O-CB 3.27Å; I125-E129 WeakPolarHBondContact O-CB 3.46Å; I125-E129 PolarHBondContact O-N 3.37Å; E129-V131 PolarHBondContact O-N 2.88Å; E129-H132 CarbonylContact O-C 3.5Å; E129-H132 WeakPolarHBondContact O-CB 3.19Å; E129-H132 PolarHBondContact O-N 3.2Å; E129-V133 HydrophobicContact CG-CG2 4.43Å; E129-V133 VanDerWaalsContact O-CG2 3.31Å; E129-V133 WeakPolarHBondContact O-CG2 3.44Å; E129-V133 PolarHBondContact O-N 2.81Å; E129-Y337 HydrophobicContact CB-CD1 3.7Å; E129-Y337 HydrophobicContact CB-CD2 4.24Å; E129-Y337 HydrophobicContact CB-CE1 4.09Å; E129-Y337 HydrophobicContact CB-CG 3.79Å; E129-Y337 HydrophobicContact CG-CD1 4.08Å; E129-Y337 HydrophobicContact CG-CD2 3.67Å; E129-Y337 HydrophobicContact CG-CE1 4.5Å; E129-Y337 HydrophobicContact CG-CE2 4.14Å; E129-Y337 HydrophobicContact CG-CG 3.66Å
130	F	98.6	Very high	98.4	Very high	49 Å²	49	19 Å²	19	22%	0.215	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-43.8	177.8	175.4	-97.3	0	0	0	112.6	L71 G74 I77 G126 R127 I128 H132 V133 K134	L71-F130 HydrophobicContact CB-CE1 4.23Å; L71-F130 HydrophobicContact CD2-CE1 4.13Å; L71-F130 WeakPolarHBondContact O-CE1 3.24Å; L71-F130 WeakPolarHBondContact O-CZ 3.37Å; G74-F130 VanDerWaalsContact CA-CE1 3.47Å; I77-F130 HydrophobicContact CD1-CD1 4.34Å; I77-F130 HydrophobicContact CD1-CE1 4.4Å; I77-F130 HydrophobicContact CG1-CD1 4.11Å; I77-F130 HydrophobicContact CG1-CE1 3.84Å; G126-F130 PolarHBondContact O-N 2.76Å; R127-F130 WeakPolarHBondContact O-CB 3.5Å; R127-F130 PolarHBondContact O-N 2.74Å; I128-F130 VanDerWaalsContact C-N 3.31Å; I128-F130 PolarHBondContact O-N 2.88Å; F130-H132 VanDerWaalsContact C-N 3.31Å; F130-H132 PolarHBondContact O-N 3.4Å; F130-V133 WeakPolarHBondContact O-CB 3.39Å; F130-V133 PolarHBondContact O-N 3.28Å; F130-K134 HydrophobicContact CE1-CG 4.15Å; F130-K134 HydrophobicContact CE2-CG 4.34Å; F130-K134 HydrophobicContact CZ-CD 4.41Å; F130-K134 HydrophobicContact CZ-CG 4.01Å; F130-K134 WeakPolarHBondContact O-CG 3.49Å; F130-K134 PolarHBondContact O-N 3.27Å; F130-K134 VanDerWaalsContact O-N 3.1Å
131	V	98.7	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-43.3	175.7	176.3	0	0	0	0	110.7	L71 R127 I128 E129 K134 N135 F136 V159 F162	L71-V131 HydrophobicContact CD1-CG2 4.25Å; R127-V131 WeakPolarHBondContact O-CG2 3.28Å; R127-V131 PolarHBondContact O-N 2.78Å; R127-V131 VanDerWaalsContact O-N 3.14Å; I128-V131 PolarHBondContact O-N 2.87Å; E129-V131 PolarHBondContact O-N 2.88Å; V131-K134 CarbonylContact O-C 3.59Å; V131-K134 PolarHBondContact O-N 3.33Å; V131-N135 PolarHBondContact O-N 3.14Å; V131-F136 CarbonylContact C-O 3.55Å; V131-F136 HydrophobicContact CG1-CB 3.92Å; V131-F136 PolarHBondContact O-N 3.1Å; V131-F136 VanDerWaalsContact O-O 3.12Å; V131-V159 HydrophobicContact CG2-CG1 4.45Å; V131-F162 HydrophobicContact CG1-CE1 4.31Å; V131-F162 HydrophobicContact CG2-CE1 3.9Å; V131-F162 HydrophobicContact CG2-CZ 4.28Å
132	H	98.6	Very high	98.3	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-65.9	-39	176.9	-68	-179.8	0	0	0	112.7	I128 E129 F130 K134 N135 F136 F168 R204 D207 Y337	I128-H132 WeakPolarHBondContact CG2-CE1 3.41Å; I128-H132 WeakPolarHBondContact CG2-NE2 3.47Å; I128-H132 WeakPolarHBondContact O-CB 3.43Å; I128-H132 PolarHBondContact O-CD2 2.83Å; I128-H132 PolarHBondContact O-N 3.35Å; E129-H132 CarbonylContact O-C 3.5Å; E129-H132 WeakPolarHBondContact O-CB 3.19Å; E129-H132 PolarHBondContact O-N 3.2Å; F130-H132 VanDerWaalsContact C-N 3.31Å; F130-H132 PolarHBondContact O-N 3.4Å; H132-K134 PolarHBondContact O-N 3.28Å; H132-N135 WeakPolarHBondContact O-CA 3.45Å; H132-N135 PolarHBondContact O-N 2.95Å; H132-F136 VanDerWaalsContact CA-O 3.29Å; H132-F136 WeakPolarHBondContact CA-O 3.48Å; H132-F136 PolarHBondContact CD2-O 3.27Å; H132-F136 PolarHBondContact N-O 2.87Å; H132-F168 WeakPolarHBondContact O-CE1 3.19Å; H132-R204 HydrophobicContact CB-CG 4.24Å; H132-D207 IonicContact CD2-OD2 2.69Å; H132-D207 IonicContact NE2-OD2 3.27Å; H132-D207 PolarHBondContact NE2-OD2 3.03Å; H132-Y337 WeakPolarHBondContact CB-OH 3.49Å; H132-Y337 AromaticContact ND1-CE1 3.58Å; H132-Y337 AromaticContact ND1-CZ 3.52Å; H132-Y337 PolarHBondContact ND1-OH 3.18Å
133	V	97.2	Very high	98.3	Very high	80 Å²	80	19.4 Å²	19.4	49%	0.485	10%	0.096	S	C	.	.	H	α-helix	trans	-58.5	-39.5	173.7	165.6	0	0	0	0	110.4	E129 F130 N135 R169	E129-V133 HydrophobicContact CG-CG2 4.43Å; E129-V133 VanDerWaalsContact O-CG2 3.31Å; E129-V133 WeakPolarHBondContact O-CG2 3.44Å; E129-V133 PolarHBondContact O-N 2.81Å; F130-V133 WeakPolarHBondContact O-CB 3.39Å; F130-V133 PolarHBondContact O-N 3.28Å; V133-N135 PolarHBondContact O-N 3.18Å; V133-N135 VanDerWaalsContact O-N 3.17Å; V133-R169 PolarHBondContact O-NH2 2.95Å
134	K	97.9	Very high	98.3	Very high	72 Å²	72	22.1 Å²	22.1	31%	0.313	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	9.2	175.4	-65.7	-75.4	-173.1	162.9	0	114.4	I70 L71 F130 V131 H132 F136	I70-K134 PolarHBondContact O-NZ 3.42Å; L71-K134 HydrophobicContact CD2-CB 3.46Å; L71-K134 VanDerWaalsContact CD2-CB 3.46Å; L71-K134 HydrophobicContact CD2-CG 3.67Å; F130-K134 HydrophobicContact CE1-CG 4.15Å; F130-K134 HydrophobicContact CE2-CG 4.34Å; F130-K134 HydrophobicContact CZ-CD 4.41Å; F130-K134 HydrophobicContact CZ-CG 4.01Å; F130-K134 WeakPolarHBondContact O-CG 3.49Å; F130-K134 PolarHBondContact O-N 3.27Å; F130-K134 VanDerWaalsContact O-N 3.1Å; V131-K134 CarbonylContact O-C 3.59Å; V131-K134 PolarHBondContact O-N 3.33Å; H132-K134 PolarHBondContact O-N 3.28Å; K134-F136 VanDerWaalsContact O-CD2 3.25Å; K134-F136 WeakPolarHBondContact O-CD2 3.43Å
135	N	98.2	Very high	98.2	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.032	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	15.6	175.9	-42.7	-63.9	0	0	0	115.5	V131 H132 V133 K167 F168 R169 N171 R174	V131-N135 PolarHBondContact O-N 3.14Å; H132-N135 WeakPolarHBondContact O-CA 3.45Å; H132-N135 PolarHBondContact O-N 2.95Å; V133-N135 PolarHBondContact O-N 3.18Å; V133-N135 VanDerWaalsContact O-N 3.17Å; N135-K167 HydrophobicContact CB-CG 4.43Å; N135-K167 CarbonylContact O-C 3.55Å; N135-K167 VanDerWaalsContact O-CA 3.29Å; N135-K167 WeakPolarHBondContact O-CA 3.44Å; N135-F168 WeakPolarHBondContact O-CD1 3.18Å; N135-F168 PolarHBondContact O-N 3.3Å; N135-R169 HydrophobicContact CB-CG 3.78Å; N135-R169 WeakPolarHBondContact OD1-CG 3.47Å; N135-R169 PolarHBondContact OD1-NE 3.14Å; N135-R169 PolarHBondContact OD1-NH2 3.41Å; N135-N171 PolarHBondContact ND2-OD1 3.37Å; N135-R174 PolarHBondContact OD1-NH1 3.45Å
136	F	98.6	Very high	98.2	Very high	12 Å²	12	22.4 Å²	22.4	5%	0.053	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.2	176	-72.1	-94.4	0	0	0	111	V67 I70 V131 H132 K134 A165 K166 K167	V67-F136 HydrophobicContact CG1-CD1 4.26Å; V67-F136 HydrophobicContact CG1-CE1 4.45Å; V67-F136 HydrophobicContact CG1-CG 4.44Å; V67-F136 HydrophobicContact CG2-CD1 4.28Å; V67-F136 HydrophobicContact CG2-CE1 3.86Å; V67-F136 HydrophobicContact CG2-CZ 4.4Å; I70-F136 HydrophobicContact CD1-CE2 3.91Å; I70-F136 HydrophobicContact CD1-CZ 3.85Å; I70-F136 HydrophobicContact CG2-CE2 4.1Å; V131-F136 CarbonylContact C-O 3.55Å; V131-F136 HydrophobicContact CG1-CB 3.92Å; V131-F136 PolarHBondContact O-N 3.1Å; V131-F136 VanDerWaalsContact O-O 3.12Å; H132-F136 VanDerWaalsContact CA-O 3.29Å; H132-F136 WeakPolarHBondContact CA-O 3.48Å; H132-F136 PolarHBondContact CD2-O 3.27Å; H132-F136 PolarHBondContact N-O 2.87Å; K134-F136 VanDerWaalsContact O-CD2 3.25Å; K134-F136 WeakPolarHBondContact O-CD2 3.43Å; F136-A165 HydrophobicContact CD1-CB 4.48Å; F136-K166 CarbonylContact C-O 3.55Å; F136-K166 VanDerWaalsContact CA-O 3.3Å; F136-K166 WeakPolarHBondContact CA-O 3.3Å; F136-K167 HydrophobicContact CD1-CB 4.2Å; F136-K167 HydrophobicContact CE1-CB 3.86Å; F136-K167 HydrophobicContact CZ-CB 4.17Å; F136-K167 HydrophobicContact CZ-CG 4.44Å
137	I	98.7	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.7	160.3	52.7	172.9	0	0	0	107.9	R139 A165 K166 F168 Q202 R204 D207	I137-R139 HydrophobicContact CB-CG 4.36Å; I137-R139 HydrophobicContact CD1-CG 3.6Å; I137-R139 HydrophobicContact CG1-CG 3.75Å; I137-A165 CarbonylContact O-C 3.38Å; I137-A165 WeakPolarHBondContact O-CA 2.99Å; I137-A165 WeakPolarHBondContact O-CB 3.35Å; I137-K166 HydrophobicContact CG1-CB 4.13Å; I137-K166 WeakPolarHBondContact CG1-O 3.31Å; I137-K166 PolarHBondContact N-O 3.18Å; I137-K166 PolarHBondContact O-N 3.09Å; I137-F168 HydrophobicContact CG1-CB 4.35Å; I137-F168 HydrophobicContact CG2-CB 4.11Å; I137-F168 HydrophobicContact CG2-CD1 3.76Å; I137-F168 HydrophobicContact CG2-CG 4.09Å; I137-Q202 VanDerWaalsContact CD1-C 3.5Å; I137-Q202 HydrophobicContact CD1-CB 4.05Å; I137-Q202 WeakPolarHBondContact CD1-O 3.42Å; I137-R204 HydrophobicContact CG2-CB 4.45Å; I137-R204 HydrophobicContact CG2-CG 3.82Å; I137-D207 WeakPolarHBondContact CA-OD2 3.28Å; I137-D207 WeakPolarHBondContact CB-OD2 3.43Å
138	H	98.6	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.			trans	-81.2	-44.2	-177.2	-169.7	-51.1	0	0	0	112.6	I128 D140 I141 V159 I160 D161 L164 D207	I128-H138 HydrophobicContact CD1-CB 4.45Å; H138-D140 PolarHBondContact ND1-N 3.17Å; H138-D140 PolarHBondContact O-N 3.42Å; H138-I141 HydrophobicContact CB-CD1 3.66Å; H138-I141 HydrophobicContact CB-CG1 4.5Å; H138-V159 VanDerWaalsContact CD2-CG2 3.46Å; H138-V159 WeakPolarHBondContact CD2-CG2 3.31Å; H138-I160 PolarHBondContact NE2-O 2.64Å; H138-D161 PolarHBondContact CE1-O 2.87Å; H138-L164 CarbonylContact O-C 3.53Å; H138-D207 PolarHBondContact N-OD2 3.22Å
139	R	98.1	Very high	98	Very high	42 Å²	42	22.3 Å²	22.3	16%	0.158	11%	0.111	C	C	.	.	S	Bend	trans	64.8	7.6	-180	-54	-165.7	-64.8	161.7	2.7	117.1	I137 L164 T186 G187 Q202 D207	I137-R139 HydrophobicContact CB-CG 4.36Å; I137-R139 HydrophobicContact CD1-CG 3.6Å; I137-R139 HydrophobicContact CG1-CG 3.75Å; R139-L164 PolarHBondContact NE-O 3.26Å; R139-L164 PolarHBondContact NH2-O 3.47Å; R139-T186 HydrophobicContact CB-CG2 4.45Å; R139-G187 WeakPolarHBondContact O-CA 3.4Å; R139-Q202 VanDerWaalsContact CB-OE1 3.27Å; R139-Q202 HydrophobicContact CG-CB 4.18Å; R139-D207 WeakPolarHBondContact CA-OD1 3.09Å; R139-D207 PolarHBondContact N-OD1 3.35Å
140	D	97	Very high	97.8	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.043	11%	0.114	C	C	.	.			trans	-147.1	48.5	176.3	-161.4	32.7	0	0	0	112	H138 K142 N145 L164 G187 T188	H138-D140 PolarHBondContact ND1-N 3.17Å; H138-D140 PolarHBondContact O-N 3.42Å; D140-K142 PolarHBondContact O-N 3.19Å; D140-K142 VanDerWaalsContact O-N 3.16Å; D140-K142 IonicContact OD1-NZ 3.32Å; D140-K142 WeakPolarHBondContact OD2-CE 3.5Å; D140-K142 IonicContact OD2-NZ 3.17Å; D140-K142 PolarHBondContact OD2-NZ 3.44Å; D140-N145 PolarHBondContact O-ND2 3.49Å; D140-N145 PolarHBondContact OD2-ND2 2.89Å; D140-L164 HydrophobicContact CB-CD1 3.97Å; D140-G187 WeakPolarHBondContact OD1-CA 3.34Å; D140-T188 WeakPolarHBondContact OD1-CB 3.47Å; D140-T188 PolarHBondContact OD1-N 3.27Å; D140-T188 PolarHBondContact OD1-OG1 3.37Å
141	I	98.6	Very high	97.6	Very high	3 Å²	3	23 Å²	23	2%	0.015	13%	0.131	C	C	.	.			trans	-65.2	112.4	175.7	-56.4	-56.1	0	0	0	109.4	I128 H138 F146 Y191 D207 M211 V214	I128-I141 HydrophobicContact CD1-CD1 3.38Å; I128-I141 HydrophobicContact CG1-CD1 3.83Å; H138-I141 HydrophobicContact CB-CD1 3.66Å; H138-I141 HydrophobicContact CB-CG1 4.5Å; I141-F146 HydrophobicContact CD1-CZ 4.35Å; I141-F146 HydrophobicContact CG2-CE2 4.03Å; I141-F146 HydrophobicContact CG2-CZ 4.46Å; I141-Y191 WeakPolarHBondContact O-CB 3.18Å; I141-D207 HydrophobicContact CD1-CB 4.49Å; I141-D207 HydrophobicContact CG1-CB 3.98Å; I141-M211 HydrophobicContact CG2-CB 4.03Å; I141-V214 HydrophobicContact CG2-CG2 4.31Å
142	K	97.9	Very high	97.2	Very high	24 Å²	24	34.2 Å²	34.2	10%	0.104	17%	0.173	C	C	.	.			trans	-157.3	157	179	70.1	-165.2	-171.3	-153.4	0	110.3	D140 D144 N145 F146 T188 Y191	D140-K142 PolarHBondContact O-N 3.19Å; D140-K142 VanDerWaalsContact O-N 3.16Å; D140-K142 IonicContact OD1-NZ 3.32Å; D140-K142 WeakPolarHBondContact OD2-CE 3.5Å; D140-K142 IonicContact OD2-NZ 3.17Å; D140-K142 PolarHBondContact OD2-NZ 3.44Å; K142-D144 HydrophobicContact CD-CB 4.39Å; K142-D144 HydrophobicContact CG-CB 4.11Å; K142-D144 PolarHBondContact O-N 3.14Å; K142-D144 VanDerWaalsContact O-N 3.15Å; K142-N145 WeakPolarHBondContact CE-ND2 3.34Å; K142-N145 VanDerWaalsContact CE-OD1 3.29Å; K142-N145 WeakPolarHBondContact CE-OD1 3.32Å; K142-N145 HydrophobicContact CG-CB 4.14Å; K142-N145 PolarHBondContact O-N 2.99Å; K142-F146 WeakPolarHBondContact O-CD2 3.48Å; K142-T188 HydrophobicContact CD-CG2 4.48Å; K142-T188 WeakPolarHBondContact CD-OG1 3.42Å; K142-Y191 HydrophobicContact CB-CD2 3.44Å; K142-Y191 VanDerWaalsContact CB-CD2 3.44Å; K142-Y191 HydrophobicContact CB-CE2 3.61Å; K142-Y191 HydrophobicContact CB-CG 4.43Å
143	P	98.3	Very high	96.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-55.2	-33.1	-179	-26.5	36	0	0	0	114.4	L101 E102 N145 F146 Y191 V214 Y217 F218	L101-P143 HydrophobicContact CB-CB 4.08Å; L101-P143 PolarHBondContact N-O 3.38Å; E102-P143 HydrophobicContact CB-CB 3.94Å; P143-N145 PolarHBondContact O-N 2.79Å; P143-F146 PolarHBondContact O-N 2.85Å; P143-Y191 VanDerWaalsContact CD-CE2 3.47Å; P143-Y191 VanDerWaalsContact CD-CZ 3.42Å; P143-Y191 HydrophobicContact CG-CE2 4.48Å; P143-V214 HydrophobicContact CG-CG1 3.93Å; P143-Y217 HydrophobicContact CG-CD1 3.91Å; P143-Y217 HydrophobicContact CG-CE1 3.84Å; P143-F218 HydrophobicContact CB-CE1 3.83Å; P143-F218 HydrophobicContact CB-CZ 3.8Å; P143-F218 HydrophobicContact CG-CE1 3.7Å; P143-F218 HydrophobicContact CG-CZ 3.75Å
144	D	96.7	Very high	96.8	Very high	70 Å²	70	38 Å²	38	37%	0.374	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-65	-25.3	178.8	-46.3	-105.4	0	0	0	113.5	K142 F146 L147	K142-D144 HydrophobicContact CD-CB 4.39Å; K142-D144 HydrophobicContact CG-CB 4.11Å; K142-D144 PolarHBondContact O-N 3.14Å; K142-D144 VanDerWaalsContact O-N 3.15Å; D144-F146 VanDerWaalsContact C-N 3.34Å; D144-L147 VanDerWaalsContact O-CD1 3.28Å; D144-L147 WeakPolarHBondContact O-CD1 3.22Å
145	N	97.6	Very high	96.6	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.032	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-93.7	7.1	-178.4	-72.2	-7	0	0	0	113	D140 K142 P143 V159 I160	D140-N145 PolarHBondContact O-ND2 3.49Å; D140-N145 PolarHBondContact OD2-ND2 2.89Å; K142-N145 WeakPolarHBondContact CE-ND2 3.34Å; K142-N145 VanDerWaalsContact CE-OD1 3.29Å; K142-N145 WeakPolarHBondContact CE-OD1 3.32Å; K142-N145 HydrophobicContact CG-CB 4.14Å; K142-N145 PolarHBondContact O-N 2.99Å; P143-N145 PolarHBondContact O-N 2.79Å; N145-V159 WeakPolarHBondContact O-CA 3.47Å; N145-I160 HydrophobicContact CB-CG1 4.39Å; N145-I160 WeakPolarHBondContact O-CG1 3.19Å; N145-I160 PolarHBondContact O-N 3.46Å
146	F	98.5	Very high	96.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.6	170.7	-69.2	-87.1	0	0	0	109.6	S100 L101 M124 R127 I128 I141 K142 P143 D144 L157 F158 V159	S100-F146 CarbonylContact C-O 3.53Å; S100-F146 VanDerWaalsContact CA-O 3.3Å; S100-F146 WeakPolarHBondContact CA-O 3.43Å; L101-F146 HydrophobicContact CD1-CB 3.65Å; L101-F146 HydrophobicContact CD1-CG 4.35Å; L101-F146 HydrophobicContact CG-CB 3.83Å; L101-F146 PolarHBondContact N-O 2.87Å; M124-F146 HydrophobicContact CB-CE1 4.28Å; M124-F146 HydrophobicContact CE-CD2 3.81Å; M124-F146 HydrophobicContact CE-CE1 4.38Å; M124-F146 HydrophobicContact CE-CE2 3.56Å; M124-F146 HydrophobicContact CE-CG 4.33Å; M124-F146 HydrophobicContact CE-CZ 3.87Å; M124-F146 HydrophobicContact CG-CD1 4.11Å; M124-F146 HydrophobicContact CG-CE1 4.01Å; M124-F146 HydrophobicContact CG-CZ 4.36Å; R127-F146 HydrophobicContact CB-CE1 4.48Å; I128-F146 HydrophobicContact CD1-CZ 4.11Å; I128-F146 HydrophobicContact CG1-CZ 4.17Å; I141-F146 HydrophobicContact CD1-CZ 4.35Å; I141-F146 HydrophobicContact CG2-CE2 4.03Å; I141-F146 HydrophobicContact CG2-CZ 4.46Å; K142-F146 WeakPolarHBondContact O-CD2 3.48Å; P143-F146 PolarHBondContact O-N 2.85Å; D144-F146 VanDerWaalsContact C-N 3.34Å; F146-L157 HydrophobicContact CB-CD1 4.02Å; F146-L157 HydrophobicContact CB-CD2 4.24Å; F146-L157 HydrophobicContact CB-CG 4.21Å; F146-L157 HydrophobicContact CD1-CD2 3.63Å; F146-L157 HydrophobicContact CD1-CG 4.04Å; F146-L157 HydrophobicContact CE1-CD2 4.38Å; F146-L157 HydrophobicContact CG-CD2 4.23Å; F146-F158 CarbonylContact C-O 3.6Å; F146-F158 VanDerWaalsContact CA-O 3.24Å; F146-F158 WeakPolarHBondContact CA-O 3.46Å; F146-V159 HydrophobicContact CD1-CB 4.28Å; F146-V159 HydrophobicContact CE1-CB 4.08Å; F146-V159 HydrophobicContact CE1-CG2 4.23Å; F146-V159 HydrophobicContact CZ-CG2 4.49Å
147	L	98.1	Very high	96.5	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.6	-178.9	-82.1	63.2	0	0	0	110.1	L97 G98 P99 D144 F158 I160	L97-L147 HydrophobicContact CB-CB 4.08Å; L97-L147 HydrophobicContact CB-CD2 3.8Å; L97-L147 HydrophobicContact CD1-CB 4.07Å; L97-L147 HydrophobicContact CD1-CD2 4.22Å; G98-L147 WeakPolarHBondContact O-CD2 3.13Å; P99-L147 WeakPolarHBondContact O-CA 3.15Å; D144-L147 VanDerWaalsContact O-CD1 3.28Å; D144-L147 WeakPolarHBondContact O-CD1 3.22Å; L147-F158 PolarHBondContact N-O 3.06Å; L147-F158 PolarHBondContact O-N 2.86Å; L147-I160 HydrophobicContact CD1-CD1 3.38Å; L147-I160 HydrophobicContact CD1-CG1 3.81Å; L147-I160 HydrophobicContact CD2-CD1 4.08Å; L147-I160 HydrophobicContact CG-CD1 4.38Å
148	M	97.8	Very high	96.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	152.2	167.7	-61.7	-54.5	-62.6	0	0	109.9	G98 P99 L101 L104 C154 N155 L157 F359 W361	G98-M148 VanDerWaalsContact CA-O 3.28Å; G98-M148 WeakPolarHBondContact CA-O 3.23Å; G98-M148 PolarHBondContact N-O 2.99Å; P99-M148 PolarHBondContact O-N 3.18Å; L101-M148 HydrophobicContact CD2-SD 4.27Å; L104-M148 HydrophobicContact CD1-CG 3.52Å; M148-C154 WeakPolarHBondContact CE-O 3.39Å; M148-N155 VanDerWaalsContact CE-C 3.45Å; M148-L157 HydrophobicContact SD-CB 4.44Å; M148-L157 HydrophobicContact SD-CD1 3.44Å; M148-L157 WeakPolarHBondContact SD-CD1 3.17Å; M148-F359 HydrophobicContact CE-CE2 3.92Å; M148-F359 HydrophobicContact CE-CZ 4.23Å; M148-W361 HydrophobicContact CE-CZ2 4.35Å; M148-W361 HydrophobicContact CG-CZ2 4.02Å; M148-W361 HydrophobicContact SD-CZ2 4.05Å
149	G	96.5	Very high	96.5	Very high	6 Å²	6	40.5 Å²	40.5	6%	0.062	21%	0.206	C	C	.	.			trans	-67.7	-179.1	166.8	0	0	0	0	0	112.3	H153 C154 K156	G149-H153 VanDerWaalsContact CA-O 3.3Å; G149-H153 WeakPolarHBondContact CA-O 3.11Å; G149-C154 WeakPolarHBondContact O-CA 3.49Å; G149-K156 PolarHBondContact N-O 3.34Å
150	I	94.5	Very high	96.4	Very high	64 Å²	64	40.1 Å²	40.1	33%	0.328	21%	0.206	S	C	.	.			trans	-117.9	166.5	173.6	56.6	174.1	0	0	0	110.5	L96 R152 H153 C154 F387	L96-I150 WeakPolarHBondContact O-CD1 3.48Å; I150-R152 PolarHBondContact O-N 3.14Å; I150-H153 CarbonylContact O-C 3.49Å; I150-H153 WeakPolarHBondContact O-CA 3.45Å; I150-H153 PolarHBondContact O-N 2.96Å; I150-C154 PolarHBondContact O-N 3.27Å; I150-F387 HydrophobicContact CG2-CD1 3.98Å; I150-F387 HydrophobicContact CG2-CE1 4.05Å
151	G	93.1	Very high	96.3	Very high	56 Å²	56	40.4 Å²	40.4	58%	0.577	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	51	-128.7	178.6	0	0	0	0	0	112.8	H153 C154	G151-H153 PolarHBondContact O-N 2.89Å; G151-C154 VanDerWaalsContact O-CB 3.28Å; G151-C154 WeakPolarHBondContact O-CB 3.26Å; G151-C154 PolarHBondContact O-N 3.37Å; G151-C154 PolarHBondContact O-SG 2.96Å
152	R	91.2	Very high	96.2	Very high	237 Å²	237	40.2 Å²	40.2	89%	0.894	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-64.9	-2.6	178.5	-58.3	-178.3	-175.7	176.2	1.3	114.6	I150	I150-R152 PolarHBondContact O-N 3.14Å
153	H	92.8	Very high	96	Very high	90 Å²	90	39.4 Å²	39.4	42%	0.417	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-115.8	12.1	177.7	-62	-26.5	0	0	0	112.5	G149 I150 G151 N155 K156	G149-H153 VanDerWaalsContact CA-O 3.3Å; G149-H153 WeakPolarHBondContact CA-O 3.11Å; I150-H153 CarbonylContact O-C 3.49Å; I150-H153 WeakPolarHBondContact O-CA 3.45Å; I150-H153 PolarHBondContact O-N 2.96Å; G151-H153 PolarHBondContact O-N 2.89Å; H153-N155 PolarHBondContact O-N 3.44Å; H153-N155 VanDerWaalsContact O-N 3.08Å; H153-K156 HydrophobicContact CB-CD 4.15Å; H153-K156 PolarHBondContact CE1-NZ 3.04Å; H153-K156 PolarHBondContact ND1-NZ 2.97Å; H153-K156 WeakPolarHBondContact O-CB 3.27Å; H153-K156 PolarHBondContact O-N 3Å
154	C	93.9	Very high	95.9	Very high	73 Å²	73	40.8 Å²	40.8	49%	0.493	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.1	-177.5	66.7	0	0	0	0	115.2	M148 G149 I150 G151	M148-C154 WeakPolarHBondContact CE-O 3.39Å; G149-C154 WeakPolarHBondContact O-CA 3.49Å; I150-C154 PolarHBondContact O-N 3.27Å; G151-C154 VanDerWaalsContact O-CB 3.28Å; G151-C154 WeakPolarHBondContact O-CB 3.26Å; G151-C154 PolarHBondContact O-N 3.37Å; G151-C154 PolarHBondContact O-SG 2.96Å
155	N	94	Very high	95.9	Very high	44 Å²	44	37.6 Å²	37.6	24%	0.235	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.8	175.3	64.7	-28.5	0	0	0	114.1	Q123 M148 H153 Y357 F359	Q123-N155 PolarHBondContact NE2-O 3.06Å; M148-N155 VanDerWaalsContact CE-C 3.45Å; H153-N155 PolarHBondContact O-N 3.44Å; H153-N155 VanDerWaalsContact O-N 3.08Å; N155-Y357 HydrophobicContact CB-CD1 3.9Å; N155-Y357 HydrophobicContact CB-CG 4.18Å; N155-Y357 WeakPolarHBondContact ND2-CD1 3.22Å; N155-F359 HydrophobicContact CB-CE2 4.41Å
156	K	97.1	Very high	95.9	Very high	80 Å²	80	39.6 Å²	39.6	35%	0.348	20%	0.204	S	C	.	.			trans	-93.4	127.1	178.3	-63.6	-178.7	-176.2	173.5	0	110.1	G149 H153 F158	G149-K156 PolarHBondContact N-O 3.34Å; H153-K156 HydrophobicContact CB-CD 4.15Å; H153-K156 PolarHBondContact CE1-NZ 3.04Å; H153-K156 PolarHBondContact ND1-NZ 2.97Å; H153-K156 WeakPolarHBondContact O-CB 3.27Å; H153-K156 PolarHBondContact O-N 3Å; K156-F158 HydrophobicContact CB-CE2 3.87Å; K156-F158 WeakPolarHBondContact O-CD2 3.27Å
157	L	98.3	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.5	170.9	-162.7	70.4	0	0	0	110.6	G76 L101 L120 Q123 M124 R127 F146 M148	G76-L157 WeakPolarHBondContact CA-O 3.47Å; L101-L157 HydrophobicContact CD1-CD1 3.99Å; L101-L157 HydrophobicContact CD1-CD2 4.37Å; L101-L157 HydrophobicContact CD2-CD1 3.74Å; L101-L157 HydrophobicContact CG-CD1 3.91Å; L120-L157 HydrophobicContact CD2-CD1 4.14Å; L120-L157 HydrophobicContact CD2-CD2 4.43Å; Q123-L157 HydrophobicContact CB-CB 3.97Å; Q123-L157 HydrophobicContact CB-CD2 4.15Å; M124-L157 HydrophobicContact CB-CD2 4.35Å; M124-L157 HydrophobicContact CG-CD2 3.34Å; R127-L157 PolarHBondContact NE-O 2.85Å; R127-L157 PolarHBondContact NH2-O 2.57Å; F146-L157 HydrophobicContact CB-CD1 4.02Å; F146-L157 HydrophobicContact CB-CD2 4.24Å; F146-L157 HydrophobicContact CB-CG 4.21Å; F146-L157 HydrophobicContact CD1-CD2 3.63Å; F146-L157 HydrophobicContact CD1-CG 4.04Å; F146-L157 HydrophobicContact CE1-CD2 4.38Å; F146-L157 HydrophobicContact CG-CD2 4.23Å; M148-L157 HydrophobicContact SD-CB 4.44Å; M148-L157 HydrophobicContact SD-CD1 3.44Å; M148-L157 WeakPolarHBondContact SD-CD1 3.17Å
158	F	98.6	Very high	95.9	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.1	175.3	-70.9	-104	0	0	0	109.9	G76 L97 F146 L147 K156	G76-F158 CarbonylContact O-C 3.57Å; G76-F158 WeakPolarHBondContact O-CA 3.47Å; L97-F158 HydrophobicContact CD1-CB 3.71Å; L97-F158 HydrophobicContact CD1-CD1 4.37Å; L97-F158 HydrophobicContact CD1-CG 4.05Å; L97-F158 HydrophobicContact CD2-CB 4.34Å; L97-F158 HydrophobicContact CD2-CD1 3.89Å; L97-F158 HydrophobicContact CD2-CD2 3.89Å; L97-F158 HydrophobicContact CD2-CE1 4.13Å; L97-F158 HydrophobicContact CD2-CE2 4.13Å; L97-F158 HydrophobicContact CD2-CG 3.77Å; L97-F158 HydrophobicContact CD2-CZ 4.25Å; F146-F158 CarbonylContact C-O 3.6Å; F146-F158 VanDerWaalsContact CA-O 3.24Å; F146-F158 WeakPolarHBondContact CA-O 3.46Å; L147-F158 PolarHBondContact N-O 3.06Å; L147-F158 PolarHBondContact O-N 2.86Å; K156-F158 HydrophobicContact CB-CE2 3.87Å; K156-F158 WeakPolarHBondContact O-CD2 3.27Å
159	V	98.5	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.5	170.9	56.7	0	0	0	0	109.2	G76 I77 R127 I128 V131 H138 N145 F146 F162	G76-V159 PolarHBondContact O-N 3.05Å; I77-V159 HydrophobicContact CD1-CG1 3.58Å; R127-V159 HydrophobicContact CB-CB 4.35Å; R127-V159 HydrophobicContact CB-CG1 4.05Å; I128-V159 HydrophobicContact CD1-CG2 4.24Å; V131-V159 HydrophobicContact CG2-CG1 4.45Å; H138-V159 VanDerWaalsContact CD2-CG2 3.46Å; H138-V159 WeakPolarHBondContact CD2-CG2 3.31Å; N145-V159 WeakPolarHBondContact O-CA 3.47Å; F146-V159 HydrophobicContact CD1-CB 4.28Å; F146-V159 HydrophobicContact CE1-CB 4.08Å; F146-V159 HydrophobicContact CE1-CG2 4.23Å; F146-V159 HydrophobicContact CZ-CG2 4.49Å; V159-F162 HydrophobicContact CG1-CZ 3.91Å; V159-F162 HydrophobicContact CG2-CE1 4.5Å; V159-F162 HydrophobicContact CG2-CZ 4.27Å
160	I	96.3	Very high	95.9	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	23%	0.233	C	C	.	.			trans	-132.4	177.2	-176.7	67.6	159.5	0	0	0	111.6	L97 H138 N145 L147	L97-I160 HydrophobicContact CD1-CG2 3.7Å; H138-I160 PolarHBondContact NE2-O 2.64Å; N145-I160 HydrophobicContact CB-CG1 4.39Å; N145-I160 WeakPolarHBondContact O-CG1 3.19Å; N145-I160 PolarHBondContact O-N 3.46Å; L147-I160 HydrophobicContact CD1-CD1 3.38Å; L147-I160 HydrophobicContact CD1-CG1 3.81Å; L147-I160 HydrophobicContact CD2-CD1 4.08Å; L147-I160 HydrophobicContact CG-CD1 4.38Å
161	D	94.3	Very high	95.9	Very high	14 Å²	14	48.3 Å²	48.3	8%	0.075	24%	0.242	C	C	.	.			trans	63.4	67.5	173.6	-158.3	16.4	0	0	0	114.3	K50 E64 H138 G163	K50-D161 IonicContact NZ-OD1 2.73Å; K50-D161 PolarHBondContact NZ-OD1 3.31Å; E64-D161 WeakPolarHBondContact OE1-CA 2.86Å; H138-D161 PolarHBondContact CE1-O 2.87Å; D161-G163 PolarHBondContact O-N 3.5Å
162	F	96.4	Very high	96	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-84.3	14.7	176.4	-61.7	-78.5	0	0	0	113.7	E64 V67 Y68 L71 I77 V131 V159 L164 A165	E64-F162 HydrophobicContact CG-CB 4.09Å; V67-F162 HydrophobicContact CB-CB 4.1Å; V67-F162 HydrophobicContact CG1-CB 3.8Å; V67-F162 HydrophobicContact CG1-CD1 4.07Å; V67-F162 HydrophobicContact CG1-CG 3.95Å; Y68-F162 HydrophobicContact CD1-CD2 4.24Å; Y68-F162 HydrophobicContact CD1-CE2 4.09Å; Y68-F162 AromaticContact CD2-CD2 3.87Å; Y68-F162 HydrophobicContact CD2-CD2 3.87Å; Y68-F162 HydrophobicContact CE1-CD2 4.06Å; Y68-F162 AromaticContact CE1-CE2 3.74Å; Y68-F162 HydrophobicContact CE1-CE2 3.74Å; Y68-F162 AromaticContact CE2-CD2 3.7Å; Y68-F162 HydrophobicContact CE2-CD2 3.7Å; Y68-F162 HydrophobicContact CE2-CE2 4.21Å; Y68-F162 HydrophobicContact CG-CD2 4.13Å; Y68-F162 HydrophobicContact CG-CE2 4.45Å; Y68-F162 AromaticContact CZ-CD2 3.79Å; Y68-F162 AromaticContact CZ-CE2 3.81Å; L71-F162 HydrophobicContact CD1-CD1 3.84Å; L71-F162 HydrophobicContact CD1-CD2 4.25Å; L71-F162 HydrophobicContact CD1-CE1 3.37Å; L71-F162 HydrophobicContact CD1-CE2 3.83Å; L71-F162 HydrophobicContact CD1-CG 4.26Å; L71-F162 HydrophobicContact CD1-CZ 3.35Å; I77-F162 HydrophobicContact CD1-CE2 4.47Å; I77-F162 HydrophobicContact CD1-CZ 3.97Å; V131-F162 HydrophobicContact CG1-CE1 4.31Å; V131-F162 HydrophobicContact CG2-CE1 3.9Å; V131-F162 HydrophobicContact CG2-CZ 4.28Å; V159-F162 HydrophobicContact CG1-CZ 3.91Å; V159-F162 HydrophobicContact CG2-CE1 4.5Å; V159-F162 HydrophobicContact CG2-CZ 4.27Å; F162-L164 PolarHBondContact O-N 2.69Å; F162-A165 HydrophobicContact CB-CB 3.95Å; F162-A165 HydrophobicContact CD1-CB 4.12Å; F162-A165 VanDerWaalsContact O-CB 3.25Å; F162-A165 WeakPolarHBondContact O-CB 2.91Å; F162-A165 PolarHBondContact O-N 3.06Å
163	G	94	Very high	96.3	Very high	7 Å²	7	48.1 Å²	48.1	7%	0.072	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-59.8	-31.4	179.9	0	0	0	0	0	113.4	Q60 D161	Q60-G163 VanDerWaalsContact OE1-C 3.24Å; Q60-G163 PolarHBondContact OE1-O 2.98Å; D161-G163 PolarHBondContact O-N 3.5Å
164	L	95.4	Very high	96.4	Very high	29 Å²	29	50 Å²	50	15%	0.152	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-96.6	1.3	174.6	-63.7	-177.9	0	0	0	113.8	F32 H138 R139 D140 F162 T186	F32-L164 HydrophobicContact CE2-CG 4.36Å; F32-L164 HydrophobicContact CZ-CD2 4.14Å; F32-L164 HydrophobicContact CZ-CG 4.3Å; H138-L164 CarbonylContact O-C 3.53Å; R139-L164 PolarHBondContact NE-O 3.26Å; R139-L164 PolarHBondContact NH2-O 3.47Å; D140-L164 HydrophobicContact CB-CD1 3.97Å; F162-L164 PolarHBondContact O-N 2.69Å; L164-T186 HydrophobicContact CD1-CG2 4.28Å; L164-T186 HydrophobicContact CD2-CG2 4.32Å
165	A	97.8	Very high	96.6	Very high	2 Å²	2	52.7 Å²	52.7	2%	0.017	25%	0.245	C	C	.	.			trans	-60.3	155.2	-179.6	0	0	0	0	0	111.5	Y63 V67 F136 I137 F162	Y63-A165 VanDerWaalsContact CE1-O 3.27Å; Y63-A165 WeakPolarHBondContact CE1-O 3.36Å; Y63-A165 PolarHBondContact OH-O 3.15Å; V67-A165 HydrophobicContact CG1-CB 4.24Å; F136-A165 HydrophobicContact CD1-CB 4.48Å; I137-A165 CarbonylContact O-C 3.38Å; I137-A165 WeakPolarHBondContact O-CA 2.99Å; I137-A165 WeakPolarHBondContact O-CB 3.35Å; F162-A165 HydrophobicContact CB-CB 3.95Å; F162-A165 HydrophobicContact CD1-CB 4.12Å; F162-A165 VanDerWaalsContact O-CB 3.25Å; F162-A165 WeakPolarHBondContact O-CB 2.91Å; F162-A165 PolarHBondContact O-N 3.06Å
166	K	97.8	Very high	96.8	Very high	48 Å²	48	52.2 Å²	52.2	21%	0.209	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	137	178.4	179.9	172.2	174.1	176.6	0	111	F136 I137 F168 E201	F136-K166 CarbonylContact C-O 3.55Å; F136-K166 VanDerWaalsContact CA-O 3.3Å; F136-K166 WeakPolarHBondContact CA-O 3.3Å; I137-K166 HydrophobicContact CG1-CB 4.13Å; I137-K166 WeakPolarHBondContact CG1-O 3.31Å; I137-K166 PolarHBondContact N-O 3.18Å; I137-K166 PolarHBondContact O-N 3.09Å; K166-F168 PolarHBondContact O-N 3.17Å; K166-E201 IonicContact NZ-OE1 2.71Å; K166-E201 PolarHBondContact NZ-OE1 3.47Å; K166-E201 IonicContact NZ-OE2 3.61Å; K166-E201 PolarHBondContact NZ-OE2 3.07Å
167	K	98	Very high	96.8	Very high	83 Å²	83	50.3 Å²	50.3	36%	0.361	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	115.4	171.5	-167.7	179.6	179.7	-166.6	0	108.8	N135 F136 R169 D170	N135-K167 HydrophobicContact CB-CG 4.43Å; N135-K167 CarbonylContact O-C 3.55Å; N135-K167 VanDerWaalsContact O-CA 3.29Å; N135-K167 WeakPolarHBondContact O-CA 3.44Å; F136-K167 HydrophobicContact CD1-CB 4.2Å; F136-K167 HydrophobicContact CE1-CB 3.86Å; F136-K167 HydrophobicContact CZ-CB 4.17Å; F136-K167 HydrophobicContact CZ-CG 4.44Å; K167-R169 WeakPolarHBondContact CE-O 3.44Å; K167-R169 WeakPolarHBondContact CG-O 3.3Å; K167-D170 IonicContact NZ-OD2 3.18Å; K167-D170 PolarHBondContact NZ-OD2 3.13Å
168	F	98.2	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.			trans	-97.1	-13.9	-176	77.4	-91	0	0	0	113.2	H132 N135 I137 K166 H176 I177 R204	H132-F168 WeakPolarHBondContact O-CE1 3.19Å; N135-F168 WeakPolarHBondContact O-CD1 3.18Å; N135-F168 PolarHBondContact O-N 3.3Å; I137-F168 HydrophobicContact CG1-CB 4.35Å; I137-F168 HydrophobicContact CG2-CB 4.11Å; I137-F168 HydrophobicContact CG2-CD1 3.76Å; I137-F168 HydrophobicContact CG2-CG 4.09Å; K166-F168 PolarHBondContact O-N 3.17Å; F168-H176 AromaticContact CD2-CD2 3.53Å; F168-H176 AromaticContact CD2-NE2 3.47Å; F168-H176 WeakPolarHBondContact CD2-NE2 3.27Å; F168-H176 CarbonylContact O-C 3.58Å; F168-H176 WeakPolarHBondContact O-CA 3.36Å; F168-I177 HydrophobicContact CB-CD1 4.29Å; F168-I177 HydrophobicContact CB-CG1 4.42Å; F168-I177 WeakPolarHBondContact O-CG1 3.38Å; F168-I177 WeakPolarHBondContact O-CG2 3.46Å; F168-I177 PolarHBondContact O-N 3.28Å; F168-R204 HydrophobicContact CD1-CG 4.27Å; F168-R204 HydrophobicContact CD2-CG 4.31Å; F168-R204 HydrophobicContact CE1-CG 3.98Å; F168-R204 HydrophobicContact CE2-CG 4.05Å; F168-R204 HydrophobicContact CG-CG 4.43Å; F168-R204 HydrophobicContact CZ-CG 3.89Å
169	R	97.7	Very high	96.8	Very high	51 Å²	51	57.6 Å²	57.6	19%	0.192	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-147.6	154.4	174.5	66.5	178.2	176.8	-174	-1	111.6	V133 N135 K167 L175	V133-R169 PolarHBondContact O-NH2 2.95Å; N135-R169 HydrophobicContact CB-CG 3.78Å; N135-R169 WeakPolarHBondContact OD1-CG 3.47Å; N135-R169 PolarHBondContact OD1-NE 3.14Å; N135-R169 PolarHBondContact OD1-NH2 3.41Å; K167-R169 WeakPolarHBondContact CE-O 3.44Å; K167-R169 WeakPolarHBondContact CG-O 3.3Å; R169-L175 CarbonylContact C-O 3.54Å; R169-L175 WeakPolarHBondContact CA-O 3.38Å; R169-L175 WeakPolarHBondContact CB-O 3.34Å
170	D	96.8	Very high	96.7	Very high	52 Å²	52	64.6 Å²	64.6	28%	0.278	30%	0.302	S	S	.	.			trans	-68.3	147.1	173.2	-173.3	-108.6	0	0	0	111.9	K167 R172 T173 R174 L175	K167-D170 IonicContact NZ-OD2 3.18Å; K167-D170 PolarHBondContact NZ-OD2 3.13Å; D170-R172 WeakPolarHBondContact OD1-CA 3.48Å; D170-R172 WeakPolarHBondContact OD1-CB 3.43Å; D170-R172 PolarHBondContact OD1-N 3.26Å; D170-T173 WeakPolarHBondContact CB-OG1 3.22Å; D170-T173 PolarHBondContact OD1-N 2.95Å; D170-T173 PolarHBondContact OD1-OG1 3.31Å; D170-R174 VanDerWaalsContact O-CA 3.23Å; D170-R174 WeakPolarHBondContact O-CA 3.47Å; D170-R174 PolarHBondContact O-N 3.02Å; D170-L175 PolarHBondContact N-O 2.81Å
171	N	93.9	Very high	96.6	Very high	97 Å²	97	68.2 Å²	68.2	52%	0.519	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-34	-177.6	-173.3	57.6	0	0	0	112.2	N135	N135-N171 PolarHBondContact ND2-OD1 3.37Å
172	R	95.6	Very high	96.4	Very high	213 Å²	213	75.3 Å²	75.3	80%	0.804	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-52.1	-175.9	-178.1	174.7	60.7	84.7	-0.2	111.1	D170 R174	D170-R172 WeakPolarHBondContact OD1-CA 3.48Å; D170-R172 WeakPolarHBondContact OD1-CB 3.43Å; D170-R172 PolarHBondContact OD1-N 3.26Å; R172-R174 VanDerWaalsContact C-N 3.34Å
173	T	96.9	Very high	96.1	Very high	76 Å²	76	79 Å²	79	47%	0.466	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.5	-176.4	68.8	0	0	0	0	113.1	D170 L175	D170-T173 WeakPolarHBondContact CB-OG1 3.22Å; D170-T173 PolarHBondContact OD1-N 2.95Å; D170-T173 PolarHBondContact OD1-OG1 3.31Å; T173-L175 PolarHBondContact O-N 3.15Å; T173-L175 VanDerWaalsContact OG1-CB 3.28Å; T173-L175 WeakPolarHBondContact OG1-CB 3.4Å; T173-L175 PolarHBondContact OG1-N 3.16Å
174	R	95.8	Very high	95.9	Very high	131 Å²	131	83.1 Å²	83.1	49%	0.494	40%	0.4	S	S	.	.			trans	56.6	11.2	-171.3	-57.6	-60.1	-169.9	172.6	2.1	114.4	N135 D170 R172 H176	N135-R174 PolarHBondContact OD1-NH1 3.45Å; D170-R174 VanDerWaalsContact O-CA 3.23Å; D170-R174 WeakPolarHBondContact O-CA 3.47Å; D170-R174 PolarHBondContact O-N 3.02Å; R172-R174 VanDerWaalsContact C-N 3.34Å; R174-H176 PolarHBondContact O-N 3.31Å
175	L	97.2	Very high	95.7	Very high	128 Å²	128	84.1 Å²	84.1	67%	0.67	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-63.9	124.4	178.5	-176.6	64.7	0	0	0	109.9	R169 D170 T173	R169-L175 CarbonylContact C-O 3.54Å; R169-L175 WeakPolarHBondContact CA-O 3.38Å; R169-L175 WeakPolarHBondContact CB-O 3.34Å; D170-L175 PolarHBondContact N-O 2.81Å; T173-L175 PolarHBondContact O-N 3.15Å; T173-L175 VanDerWaalsContact OG1-CB 3.28Å; T173-L175 WeakPolarHBondContact OG1-CB 3.4Å; T173-L175 PolarHBondContact OG1-N 3.16Å
176	H	98.3	Very high	95.4	Very high	34 Å²	34	85.5 Å²	85.5	16%	0.157	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-70.7	150.4	176.7	-162.1	-84.4	0	0	0	110.8	F168 R174 F331 D332	F168-H176 AromaticContact CD2-CD2 3.53Å; F168-H176 AromaticContact CD2-NE2 3.47Å; F168-H176 WeakPolarHBondContact CD2-NE2 3.27Å; F168-H176 CarbonylContact O-C 3.58Å; F168-H176 WeakPolarHBondContact O-CA 3.36Å; R174-H176 PolarHBondContact O-N 3.31Å; H176-F331 AromaticContact CE1-CD1 3.94Å; H176-F331 AromaticContact CE1-CE1 3.53Å; H176-F331 AromaticContact CE1-CZ 3.69Å; H176-F331 PolarHBondContact CE1-O 3.28Å; H176-F331 AromaticContact ND1-CE1 3.53Å; H176-D332 HydrophobicContact CB-CB 4.17Å
177	I	97.9	Very high	95	Very high	41 Å²	41	84.4 Å²	84.4	21%	0.21	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-58.6	149.5	169.5	56.8	172.8	0	0	0	110.1	F168 E201 F331	F168-I177 HydrophobicContact CB-CD1 4.29Å; F168-I177 HydrophobicContact CB-CG1 4.42Å; F168-I177 WeakPolarHBondContact O-CG1 3.38Å; F168-I177 WeakPolarHBondContact O-CG2 3.46Å; F168-I177 PolarHBondContact O-N 3.28Å; I177-E201 HydrophobicContact CD1-CG 3.84Å; I177-F331 HydrophobicContact CD1-CZ 4.32Å; I177-F331 HydrophobicContact CG1-CZ 4.03Å; I177-F331 VanDerWaalsContact O-CE1 3.25Å; I177-F331 WeakPolarHBondContact O-CE1 3.49Å
178	A	97.5	Very high	94.7	Very high	61 Å²	61	82.4 Å²	82.4	50%	0.504	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-68.5	145.7	178.5	0	0	0	0	0	111.7
179	Y	97.8	Very high	94.4	Very high	110 Å²	110	82.9 Å²	82.9	43%	0.431	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-62.4	134.7	167.7	-179.5	-89.4	0	0	0	109.4	E181 I200 F331	Y179-E181 HydrophobicContact CD1-CG 4.48Å; Y179-E181 HydrophobicContact CE1-CG 3.52Å; Y179-E181 WeakPolarHBondContact CE1-OE1 3.37Å; Y179-E181 PolarHBondContact OH-OE1 3.29Å; Y179-I200 HydrophobicContact CD2-CG2 4.21Å; Y179-I200 HydrophobicContact CE2-CG2 3.48Å; Y179-I200 VanDerWaalsContact CE2-CG2 3.48Å; Y179-F331 VanDerWaalsContact CA-CE1 3.48Å; Y179-F331 HydrophobicContact CD2-CB 4.1Å; Y179-F331 HydrophobicContact CD2-CD1 4.09Å; Y179-F331 HydrophobicContact CD2-CD2 4.16Å; Y179-F331 AromaticContact CD2-CG 3.85Å; Y179-F331 HydrophobicContact CD2-CG 3.85Å; Y179-F331 VanDerWaalsContact N-CE1 3.35Å
180	R	97	Very high	94.3	Very high	146 Å²	146	84.4 Å²	84.4	55%	0.551	42%	0.42	S	S	*	.			trans	-146.5	147.9	178.2	-61.4	-177.9	-177.5	-178.2	1.8	109.3	E201	R180-E201 HydrophobicContact CB-CB 4.2Å; R180-E201 WeakPolarHBondContact O-CB 3.25Å; R180-E201 PolarHBondContact O-N 2.72Å
181	E	93.3	Very high	94.2	Very high	110 Å²	110	82 Å²	82	51%	0.514	41%	0.407	S	S	.	.			trans	-109.1	-169.1	174	-58.5	-174.5	173	0	0	109.6	Y179 K183 G199	Y179-E181 HydrophobicContact CD1-CG 4.48Å; Y179-E181 HydrophobicContact CE1-CG 3.52Å; Y179-E181 WeakPolarHBondContact CE1-OE1 3.37Å; Y179-E181 PolarHBondContact OH-OE1 3.29Å; E181-K183 PolarHBondContact O-N 3.46Å; E181-K183 VanDerWaalsContact O-N 3.11Å; E181-G199 CarbonylContact C-O 3.53Å; E181-G199 WeakPolarHBondContact CA-O 3.36Å
182	D	91.1	Very high	94.3	Very high	163 Å²	163	77.7 Å²	77.7	87%	0.872	39%	0.385	S	S	*	.			trans	56.4	27	178.2	-55.9	-46.9	0	0	0	115.3	G199	D182-G199 PolarHBondContact N-O 2.97Å; D182-G199 VanDerWaalsContact N-O 3.11Å
183	K	91.1	Very high	94.3	Very high	76 Å²	76	67.5 Å²	67.5	33%	0.33	35%	0.347	S	S	.	.			trans	-77	146.7	171.1	-60.2	-54.8	-150.2	177.3	0	111.1	E181 G199 E201	E181-K183 PolarHBondContact O-N 3.46Å; E181-K183 VanDerWaalsContact O-N 3.11Å; K183-G199 WeakPolarHBondContact CA-O 3.21Å; K183-G199 VanDerWaalsContact CB-O 3.22Å; K183-G199 WeakPolarHBondContact CB-O 3.2Å; K183-G199 WeakPolarHBondContact CG-O 3.18Å; K183-G199 PolarHBondContact N-O 3.36Å; K183-G199 WeakPolarHBondContact O-CA 3.2Å; K183-E201 VanDerWaalsContact CE-CD 3.47Å; K183-E201 WeakPolarHBondContact CE-OE2 3.46Å; K183-E201 IonicContact NZ-OE2 3.56Å; K183-E201 PolarHBondContact NZ-OE2 2.95Å
184	S	89.8	Confident	94.1	Very high	95 Å²	95	65 Å²	65	66%	0.664	33%	0.331	S	S	*	.			trans	-72.5	146	163.4	56.6	0	0	0	0	110.4	T186	S184-T186 PolarHBondContact O-N 2.87Å; S184-T186 PolarHBondContact O-OG1 3.39Å
185	L	90	Very high	94	Very high	49 Å²	49	60 Å²	60	26%	0.257	31%	0.314	S	S	.	.			trans	-53.7	115.1	173	177.1	64.3	0	0	0	109.9	A189 A192 A196 Y296	L185-A189 HydrophobicContact CD2-CB 3.76Å; L185-A192 HydrophobicContact CD1-CB 3.87Å; L185-A196 HydrophobicContact CD1-CB 4.03Å; L185-A196 WeakPolarHBondContact CD1-O 3.47Å; L185-Y296 HydrophobicContact CD2-CD1 4.05Å; L185-Y296 HydrophobicContact CD2-CD2 4.35Å; L185-Y296 HydrophobicContact CD2-CE1 4.39Å; L185-Y296 HydrophobicContact CD2-CG 4.05Å
186	T	91.4	Very high	93.8	Very high	31 Å²	31	54 Å²	54	19%	0.19	28%	0.283	C	S	.	.			trans	-106.8	135.4	175.7	-60.8	0	0	0	0	109.2	R139 L164 S184 Q202	R139-T186 HydrophobicContact CB-CG2 4.45Å; L164-T186 HydrophobicContact CD1-CG2 4.28Å; L164-T186 HydrophobicContact CD2-CG2 4.32Å; S184-T186 PolarHBondContact O-N 2.87Å; S184-T186 PolarHBondContact O-OG1 3.39Å; T186-Q202 PolarHBondContact O-NE2 3.48Å
187	G	90.2	Very high	93.5	Very high	25 Å²	25	53.6 Å²	53.6	26%	0.258	28%	0.281	S	S	.	.	S	Bend	trans	92.8	-173	-178.6	0	0	0	0	0	114.2	R139 D140 A189	R139-G187 WeakPolarHBondContact O-CA 3.4Å; D140-G187 WeakPolarHBondContact OD1-CA 3.34Å; G187-A189 PolarHBondContact O-N 2.67Å
188	T	92.2	Very high	93.1	Very high	41 Å²	41	56.1 Å²	56.1	25%	0.252	30%	0.295	S	S	.	.			trans	-80	105.1	-175.3	-61.5	0	0	0	0	111.3	D140 K142 R190 Y191 A192	D140-T188 WeakPolarHBondContact OD1-CB 3.47Å; D140-T188 PolarHBondContact OD1-N 3.27Å; D140-T188 PolarHBondContact OD1-OG1 3.37Å; K142-T188 HydrophobicContact CD-CG2 4.48Å; K142-T188 WeakPolarHBondContact CD-OG1 3.42Å; T188-R190 HydrophobicContact CG2-CB 4.18Å; T188-R190 PolarHBondContact O-N 3.26Å; T188-Y191 HydrophobicContact CG2-CD2 3.74Å; T188-Y191 HydrophobicContact CG2-CE2 4.15Å; T188-Y191 PolarHBondContact O-N 2.95Å; T188-A192 PolarHBondContact O-N 3.26Å
189	A	91.9	Very high	92.9	Very high	11 Å²	11	53.5 Å²	53.5	9%	0.091	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-35.9	-177.4	0	0	0	0	0	115.6	L185 G187 Y191 H197 Y296 I299 K303	L185-A189 HydrophobicContact CD2-CB 3.76Å; G187-A189 PolarHBondContact O-N 2.67Å; A189-Y191 VanDerWaalsContact C-N 3.32Å; A189-Y191 PolarHBondContact O-N 3.49Å; A189-H197 PolarHBondContact O-NE2 3.1Å; A189-Y296 HydrophobicContact CB-CD1 3.69Å; A189-Y296 HydrophobicContact CB-CE1 3.61Å; A189-I299 HydrophobicContact CB-CD1 4.34Å; A189-K303 PolarHBondContact O-NZ 3.07Å
190	R	93.6	Very high	92.7	Very high	82 Å²	82	49.2 Å²	49.2	31%	0.309	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.4	177.7	-168.3	-167.3	-58.1	168.7	3.6	111.9	T188 Y217 L223 W225 Q226 K303	T188-R190 HydrophobicContact CG2-CB 4.18Å; T188-R190 PolarHBondContact O-N 3.26Å; R190-Y217 PolarHBondContact NH1-OH 3.17Å; R190-L223 HydrophobicContact CG-CD1 4.09Å; R190-W225 PolarHBondContact O-NE1 3.29Å; R190-Q226 HydrophobicContact CG-CG 3.86Å; R190-K303 WeakPolarHBondContact O-CE 3.43Å; R190-K303 PolarHBondContact O-NZ 3.33Å
191	Y	96.5	Very high	92.7	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-14.1	-175.7	-49	-67.2	0	0	0	112.9	I141 K142 P143 T188 A189 S210 Y213 V214 Y217 L223	I141-Y191 WeakPolarHBondContact O-CB 3.18Å; K142-Y191 HydrophobicContact CB-CD2 3.44Å; K142-Y191 VanDerWaalsContact CB-CD2 3.44Å; K142-Y191 HydrophobicContact CB-CE2 3.61Å; K142-Y191 HydrophobicContact CB-CG 4.43Å; P143-Y191 VanDerWaalsContact CD-CE2 3.47Å; P143-Y191 VanDerWaalsContact CD-CZ 3.42Å; P143-Y191 HydrophobicContact CG-CE2 4.48Å; T188-Y191 HydrophobicContact CG2-CD2 3.74Å; T188-Y191 HydrophobicContact CG2-CE2 4.15Å; T188-Y191 PolarHBondContact O-N 2.95Å; A189-Y191 VanDerWaalsContact C-N 3.32Å; A189-Y191 PolarHBondContact O-N 3.49Å; Y191-S210 WeakPolarHBondContact O-CA 3.1Å; Y191-S210 WeakPolarHBondContact O-CB 3.35Å; Y191-S210 PolarHBondContact O-OG 2.89Å; Y191-S210 VanDerWaalsContact O-OG 3.06Å; Y191-Y213 VanDerWaalsContact O-CD2 3.31Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.31Å; Y191-V214 HydrophobicContact CD1-CG2 3.64Å; Y191-V214 HydrophobicContact CD2-CG2 4.5Å; Y191-V214 HydrophobicContact CE1-CG2 4.08Å; Y191-V214 HydrophobicContact CG-CG2 3.87Å; Y191-Y217 HydrophobicContact CE1-CD1 4.1Å; Y191-Y217 HydrophobicContact CE1-CD2 4.32Å; Y191-Y217 AromaticContact CE1-CG 3.89Å; Y191-Y217 HydrophobicContact CE1-CG 3.89Å; Y191-Y217 VanDerWaalsContact OH-CE1 3.27Å; Y191-Y217 WeakPolarHBondContact OH-CE1 3.13Å; Y191-L223 HydrophobicContact CD1-CD1 3.94Å; Y191-L223 HydrophobicContact CE1-CD1 3.94Å
192	A	95.4	Very high	92.9	Very high	7 Å²	7	37.9 Å²	37.9	6%	0.058	21%	0.211	C	C	.	.			trans	-54.9	143.2	178.7	0	0	0	0	0	112.9	L185 T188 A196 K303	L185-A192 HydrophobicContact CD1-CB 3.87Å; T188-A192 PolarHBondContact O-N 3.26Å; A192-A196 HydrophobicContact CB-CB 4.12Å; A192-K303 PolarHBondContact O-NZ 3.35Å
193	S	95.8	Very high	93.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.			trans	-59.1	161.2	176.4	67.5	0	0	0	0	112.7	N195 A196 H197 D206 E209 S210	S193-N195 VanDerWaalsContact C-N 3.25Å; S193-N195 PolarHBondContact O-N 3.39Å; S193-A196 PolarHBondContact O-N 3.25Å; S193-A196 WeakPolarHBondContact OG-CB 3.29Å; S193-A196 PolarHBondContact OG-N 2.73Å; S193-A196 VanDerWaalsContact OG-N 3.1Å; S193-H197 PolarHBondContact O-CD2 2.7Å; S193-H197 VanDerWaalsContact O-CD2 3.3Å; S193-H197 PolarHBondContact O-N 3.03Å; S193-D206 VanDerWaalsContact CB-OD1 3.31Å; S193-D206 WeakPolarHBondContact CB-OD1 3.23Å; S193-D206 WeakPolarHBondContact OG-CB 3.45Å; S193-D206 PolarHBondContact OG-OD1 2.82Å; S193-E209 WeakPolarHBondContact CB-OE2 3.36Å; S193-S210 PolarHBondContact N-OG 3.3Å
194	V	92.3	Very high	93.6	Very high	22 Å²	22	27.4 Å²	27.4	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-39.5	172.9	175.6	0	0	0	0	110.9	A196 H197 L198 E209 M304	V194-A196 VanDerWaalsContact C-N 3.35Å; V194-A196 PolarHBondContact O-N 3.19Å; V194-H197 WeakPolarHBondContact O-CB 3.47Å; V194-H197 PolarHBondContact O-N 3.11Å; V194-H197 VanDerWaalsContact O-N 3.15Å; V194-L198 HydrophobicContact CG1-CD1 4.04Å; V194-L198 HydrophobicContact CG1-CG 4.44Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.45Å; V194-E209 PolarHBondContact N-OE1 2.83Å; V194-M304 HydrophobicContact CG1-CE 3.68Å; V194-M304 HydrophobicContact CG1-CG 4.12Å
195	N	93.5	Very high	94	Very high	26 Å²	26	24.2 Å²	24.2	14%	0.139	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-40.4	177.4	-60.2	-45.5	0	0	0	112.5	S193 H197 L198 G199 I200 R205 D206	S193-N195 VanDerWaalsContact C-N 3.25Å; S193-N195 PolarHBondContact O-N 3.39Å; N195-H197 PolarHBondContact O-N 3.12Å; N195-L198 CarbonylContact O-C 3.55Å; N195-L198 PolarHBondContact O-N 3.17Å; N195-L198 VanDerWaalsContact O-N 3.11Å; N195-G199 PolarHBondContact O-N 2.92Å; N195-I200 HydrophobicContact CB-CB 4.06Å; N195-I200 HydrophobicContact CB-CD1 4.26Å; N195-I200 HydrophobicContact CB-CG2 4.41Å; N195-I200 WeakPolarHBondContact O-CB 3.18Å; N195-I200 PolarHBondContact O-N 3.45Å; N195-R205 PolarHBondContact ND2-NE 2.86Å; N195-R205 PolarHBondContact ND2-NH2 3.38Å; N195-D206 WeakPolarHBondContact CB-OD1 3.46Å; N195-D206 PolarHBondContact ND2-OD1 2.97Å
196	A	94.3	Very high	94.5	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-33.7	177	0	0	0	0	0	112.2	L185 A192 S193 V194 G199 Q202	L185-A196 HydrophobicContact CD1-CB 4.03Å; L185-A196 WeakPolarHBondContact CD1-O 3.47Å; A192-A196 HydrophobicContact CB-CB 4.12Å; S193-A196 PolarHBondContact O-N 3.25Å; S193-A196 WeakPolarHBondContact OG-CB 3.29Å; S193-A196 PolarHBondContact OG-N 2.73Å; S193-A196 VanDerWaalsContact OG-N 3.1Å; V194-A196 VanDerWaalsContact C-N 3.35Å; V194-A196 PolarHBondContact O-N 3.19Å; A196-G199 PolarHBondContact O-N 2.84Å; A196-Q202 HydrophobicContact CB-CG 4.02Å
197	H	91.3	Very high	94.8	Very high	26 Å²	26	20.4 Å²	20.4	12%	0.12	11%	0.11	C	C	.	.	H	α-helix	trans	-72	-33.3	173	-81.4	-66.6	0	0	0	113.2	A189 S193 V194 N195 G199 T300	A189-H197 PolarHBondContact O-NE2 3.1Å; S193-H197 PolarHBondContact O-CD2 2.7Å; S193-H197 VanDerWaalsContact O-CD2 3.3Å; S193-H197 PolarHBondContact O-N 3.03Å; V194-H197 WeakPolarHBondContact O-CB 3.47Å; V194-H197 PolarHBondContact O-N 3.11Å; V194-H197 VanDerWaalsContact O-N 3.15Å; N195-H197 PolarHBondContact O-N 3.12Å; H197-G199 PolarHBondContact O-N 2.83Å; H197-T300 HydrophobicContact CB-CG2 3.69Å; H197-T300 VanDerWaalsContact CB-OG1 3.31Å; H197-T300 WeakPolarHBondContact CB-OG1 3.41Å; H197-T300 VanDerWaalsContact CG-OG1 3.29Å; H197-T300 PolarHBondContact ND1-OG1 3.16Å; H197-T300 VanDerWaalsContact ND1-OG1 3.11Å
198	L	89.9	Confident	95.2	Very high	94 Å²	94	19.2 Å²	19.2	49%	0.492	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.5	174.9	-73.7	173.6	0	0	0	113.8	V194 N195 I200 M304	V194-L198 HydrophobicContact CG1-CD1 4.04Å; V194-L198 HydrophobicContact CG1-CG 4.44Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.45Å; N195-L198 CarbonylContact O-C 3.55Å; N195-L198 PolarHBondContact O-N 3.17Å; N195-L198 VanDerWaalsContact O-N 3.11Å; L198-I200 VanDerWaalsContact C-N 3.26Å; L198-I200 HydrophobicContact CB-CD1 4.08Å; L198-I200 HydrophobicContact CB-CG1 4.15Å; L198-I200 HydrophobicContact CD1-CD1 4.29Å; L198-I200 PolarHBondContact O-N 3.21Å; L198-M304 HydrophobicContact CD1-CE 3.87Å; L198-M304 HydrophobicContact CD2-CE 3.32Å; L198-M304 HydrophobicContact CG-CE 3.51Å
199	G	91.8	Very high	95.5	Very high	7 Å²	7	17.4 Å²	17.4	7%	0.072	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	22.3	-177.9	0	0	0	0	0	113.7	E181 D182 K183 N195 A196 H197	E181-G199 CarbonylContact C-O 3.53Å; E181-G199 WeakPolarHBondContact CA-O 3.36Å; D182-G199 PolarHBondContact N-O 2.97Å; D182-G199 VanDerWaalsContact N-O 3.11Å; K183-G199 WeakPolarHBondContact CA-O 3.21Å; K183-G199 VanDerWaalsContact CB-O 3.22Å; K183-G199 WeakPolarHBondContact CB-O 3.2Å; K183-G199 WeakPolarHBondContact CG-O 3.18Å; K183-G199 PolarHBondContact N-O 3.36Å; K183-G199 WeakPolarHBondContact O-CA 3.2Å; N195-G199 PolarHBondContact O-N 2.92Å; A196-G199 PolarHBondContact O-N 2.84Å; H197-G199 PolarHBondContact O-N 2.83Å
200	I	94.5	Very high	95.8	Very high	19 Å²	19	17 Å²	17	10%	0.097	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-82.4	142.3	173.3	-60.9	169.5	0	0	0	108.9	Y179 N195 L198 Q202	Y179-I200 HydrophobicContact CD2-CG2 4.21Å; Y179-I200 HydrophobicContact CE2-CG2 3.48Å; Y179-I200 VanDerWaalsContact CE2-CG2 3.48Å; N195-I200 HydrophobicContact CB-CB 4.06Å; N195-I200 HydrophobicContact CB-CD1 4.26Å; N195-I200 HydrophobicContact CB-CG2 4.41Å; N195-I200 WeakPolarHBondContact O-CB 3.18Å; N195-I200 PolarHBondContact O-N 3.45Å; L198-I200 VanDerWaalsContact C-N 3.26Å; L198-I200 HydrophobicContact CB-CD1 4.08Å; L198-I200 HydrophobicContact CB-CG1 4.15Å; L198-I200 HydrophobicContact CD1-CD1 4.29Å; L198-I200 PolarHBondContact O-N 3.21Å; I200-Q202 PolarHBondContact O-N 3.02Å
201	E	97.2	Very high	96.1	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.037	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-53.4	131.7	172.4	-173.4	68.1	-98.1	0	0	110.5	K166 I177 R180 K183 F331	K166-E201 IonicContact NZ-OE1 2.71Å; K166-E201 PolarHBondContact NZ-OE1 3.47Å; K166-E201 IonicContact NZ-OE2 3.61Å; K166-E201 PolarHBondContact NZ-OE2 3.07Å; I177-E201 HydrophobicContact CD1-CG 3.84Å; R180-E201 HydrophobicContact CB-CB 4.2Å; R180-E201 WeakPolarHBondContact O-CB 3.25Å; R180-E201 PolarHBondContact O-N 2.72Å; K183-E201 VanDerWaalsContact CE-CD 3.47Å; K183-E201 WeakPolarHBondContact CE-OE2 3.46Å; K183-E201 IonicContact NZ-OE2 3.56Å; K183-E201 PolarHBondContact NZ-OE2 2.95Å; E201-F331 HydrophobicContact CB-CE2 4.08Å; E201-F331 HydrophobicContact CB-CZ 4.18Å; E201-F331 HydrophobicContact CG-CE2 4.23Å; E201-F331 HydrophobicContact CG-CZ 4.06Å; E201-F331 WeakPolarHBondContact O-CE2 3.27Å
202	Q	98.3	Very high	96.1	Very high	10 Å²	10	13.2 Å²	13.2	5%	0.047	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-80	147.4	-178.2	-69.8	178.5	38.7	0	0	111	I137 R139 T186 A196 I200 D206	I137-Q202 VanDerWaalsContact CD1-C 3.5Å; I137-Q202 HydrophobicContact CD1-CB 4.05Å; I137-Q202 WeakPolarHBondContact CD1-O 3.42Å; R139-Q202 VanDerWaalsContact CB-OE1 3.27Å; R139-Q202 HydrophobicContact CG-CB 4.18Å; T186-Q202 PolarHBondContact O-NE2 3.48Å; A196-Q202 HydrophobicContact CB-CG 4.02Å; I200-Q202 PolarHBondContact O-N 3.02Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.43Å; Q202-D206 HydrophobicContact CB-CB 4.24Å; Q202-D206 HydrophobicContact CG-CB 4.24Å
203	S	98.3	Very high	96.3	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	7%	0.067	C	C	.	.			trans	-140.6	-173.3	179.7	64.9	0	0	0	0	109.8	R205 D206 F331	S203-R205 VanDerWaalsContact C-N 3.25Å; S203-R205 PolarHBondContact O-N 2.88Å; S203-R205 WeakPolarHBondContact OG-CG 3.25Å; S203-D206 PolarHBondContact N-OD2 3.08Å; S203-D206 WeakPolarHBondContact O-CB 3.43Å; S203-D206 PolarHBondContact O-N 3.44Å; S203-D206 VanDerWaalsContact O-N 3.1Å; S203-D206 PolarHBondContact OG-OD2 2.95Å; S203-D206 VanDerWaalsContact OG-OD2 3.04Å; S203-F331 WeakPolarHBondContact CB-O 3.39Å; S203-F331 PolarHBondContact OG-O 3.09Å
204	R	98.6	Very high	96.4	Very high	18 Å²	18	12.9 Å²	12.9	7%	0.068	7%	0.067	C	C	.	.	H	α-helix	trans	-59.5	-34.3	-177.2	-66.8	176.4	-75.1	-171.8	-1.3	113.2	H132 I137 F168 D206 D207 M208 D332 E333 P335	H132-R204 HydrophobicContact CB-CG 4.24Å; I137-R204 HydrophobicContact CG2-CB 4.45Å; I137-R204 HydrophobicContact CG2-CG 3.82Å; F168-R204 HydrophobicContact CD1-CG 4.27Å; F168-R204 HydrophobicContact CD2-CG 4.31Å; F168-R204 HydrophobicContact CE1-CG 3.98Å; F168-R204 HydrophobicContact CE2-CG 4.05Å; F168-R204 HydrophobicContact CG-CG 4.43Å; F168-R204 HydrophobicContact CZ-CG 3.89Å; R204-D206 PolarHBondContact O-N 3.17Å; R204-D207 PolarHBondContact O-N 3.06Å; R204-M208 WeakPolarHBondContact O-CG 3.36Å; R204-M208 PolarHBondContact O-N 3.01Å; R204-D332 PolarHBondContact NH2-O 2.87Å; R204-E333 VanDerWaalsContact NH2-C 3.31Å; R204-E333 PolarHBondContact NH2-O 3.47Å; R204-E333 VanDerWaalsContact NH2-O 3.12Å; R204-P335 HydrophobicContact CB-CG 3.97Å
205	R	98.2	Very high	96.7	Very high	28 Å²	28	11.9 Å²	11.9	11%	0.106	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-31.2	178.8	75.8	-167.5	175.3	164.4	0.8	112.3	N195 S203 M208 E209 L329	N195-R205 PolarHBondContact ND2-NE 2.86Å; N195-R205 PolarHBondContact ND2-NH2 3.38Å; S203-R205 VanDerWaalsContact C-N 3.25Å; S203-R205 PolarHBondContact O-N 2.88Å; S203-R205 WeakPolarHBondContact OG-CG 3.25Å; R205-M208 PolarHBondContact O-N 3.31Å; R205-E209 WeakPolarHBondContact O-CB 3.43Å; R205-E209 PolarHBondContact O-N 3.22Å; R205-L329 HydrophobicContact CB-CB 3.7Å; R205-L329 HydrophobicContact CB-CD1 3.8Å; R205-L329 HydrophobicContact CB-CG 4.42Å; R205-L329 VanDerWaalsContact CD-O 3.22Å; R205-L329 WeakPolarHBondContact CD-O 3.14Å; R205-L329 PolarHBondContact NH1-O 3.49Å
206	D	98.4	Very high	96.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-74.8	-38	-176.1	-58.4	-71.9	0	0	0	111.9	S193 N195 Q202 S203 R204 M208 S210	S193-D206 VanDerWaalsContact CB-OD1 3.31Å; S193-D206 WeakPolarHBondContact CB-OD1 3.23Å; S193-D206 WeakPolarHBondContact OG-CB 3.45Å; S193-D206 PolarHBondContact OG-OD1 2.82Å; N195-D206 WeakPolarHBondContact CB-OD1 3.46Å; N195-D206 PolarHBondContact ND2-OD1 2.97Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.43Å; Q202-D206 HydrophobicContact CB-CB 4.24Å; Q202-D206 HydrophobicContact CG-CB 4.24Å; S203-D206 PolarHBondContact N-OD2 3.08Å; S203-D206 WeakPolarHBondContact O-CB 3.43Å; S203-D206 PolarHBondContact O-N 3.44Å; S203-D206 VanDerWaalsContact O-N 3.1Å; S203-D206 PolarHBondContact OG-OD2 2.95Å; S203-D206 VanDerWaalsContact OG-OD2 3.04Å; R204-D206 PolarHBondContact O-N 3.17Å; D206-M208 VanDerWaalsContact C-N 3.33Å; D206-S210 VanDerWaalsContact O-CB 3.27Å; D206-S210 WeakPolarHBondContact O-CB 3.2Å; D206-S210 PolarHBondContact O-N 2.7Å; D206-S210 PolarHBondContact O-OG 2.74Å
207	D	98.8	Very high	97.1	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-63.5	-41.8	171.3	-79.8	-17.2	0	0	0	110.8	I128 H132 I137 H138 R139 I141 R204 S210 M211	I128-D207 HydrophobicContact CG2-CB 4.03Å; H132-D207 IonicContact CD2-OD2 2.69Å; H132-D207 IonicContact NE2-OD2 3.27Å; H132-D207 PolarHBondContact NE2-OD2 3.03Å; I137-D207 WeakPolarHBondContact CA-OD2 3.28Å; I137-D207 WeakPolarHBondContact CB-OD2 3.43Å; H138-D207 PolarHBondContact N-OD2 3.22Å; R139-D207 WeakPolarHBondContact CA-OD1 3.09Å; R139-D207 PolarHBondContact N-OD1 3.35Å; I141-D207 HydrophobicContact CD1-CB 4.49Å; I141-D207 HydrophobicContact CG1-CB 3.98Å; R204-D207 PolarHBondContact O-N 3.06Å; D207-S210 PolarHBondContact O-N 2.87Å; D207-M211 WeakPolarHBondContact O-CB 3.29Å; D207-M211 PolarHBondContact O-N 2.84Å
208	M	98.8	Very high	97.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.6	-41.4	179.4	-59.5	-48.6	-69.1	0	0	112.3	I125 I128 R204 R205 D206 S210 M211 G212 Y322 C326 P335 Y337 L340	I125-M208 HydrophobicContact CB-CE 4.47Å; I125-M208 HydrophobicContact CG1-CE 4.15Å; I125-M208 HydrophobicContact CG2-CE 3.88Å; I128-M208 HydrophobicContact CG2-SD 3.87Å; R204-M208 WeakPolarHBondContact O-CG 3.36Å; R204-M208 PolarHBondContact O-N 3.01Å; R205-M208 PolarHBondContact O-N 3.31Å; D206-M208 VanDerWaalsContact C-N 3.33Å; M208-S210 VanDerWaalsContact C-N 3.34Å; M208-M211 HydrophobicContact CE-SD 4.49Å; M208-M211 WeakPolarHBondContact O-CB 3.47Å; M208-M211 PolarHBondContact O-N 3.01Å; M208-G212 PolarHBondContact O-N 3.09Å; M208-G212 VanDerWaalsContact O-N 3.09Å; M208-Y322 HydrophobicContact CE-CE2 4.43Å; M208-Y322 WeakPolarHBondContact CE-OH 3.32Å; M208-Y322 WeakPolarHBondContact O-CE1 3.47Å; M208-Y322 PolarHBondContact O-OH 2.99Å; M208-C326 HydrophobicContact CB-CB 4.45Å; M208-P335 HydrophobicContact CG-CB 4.12Å; M208-P335 HydrophobicContact CG-CG 3.86Å; M208-Y337 HydrophobicContact CE-CD1 4.02Å; M208-Y337 HydrophobicContact CE-CE1 4.29Å; M208-Y337 HydrophobicContact CG-CE1 4.39Å; M208-Y337 HydrophobicContact SD-CD1 4.17Å; M208-Y337 HydrophobicContact SD-CE1 3.85Å; M208-L340 HydrophobicContact CE-CD1 3.58Å
209	E	98.3	Very high	97.8	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.009	3%	0.026	C	C	.	.	H	α-helix	trans	-61.7	-44.1	173	-171.3	-173.1	149	0	0	111	S193 V194 R205 M211 G212 Y213 C326 R327	S193-E209 WeakPolarHBondContact CB-OE2 3.36Å; V194-E209 PolarHBondContact N-OE1 2.83Å; R205-E209 WeakPolarHBondContact O-CB 3.43Å; R205-E209 PolarHBondContact O-N 3.22Å; E209-M211 VanDerWaalsContact C-N 3.29Å; E209-M211 PolarHBondContact O-N 2.86Å; E209-G212 PolarHBondContact O-N 2.89Å; E209-Y213 HydrophobicContact CG-CD2 4.47Å; E209-Y213 HydrophobicContact CG-CE2 3.75Å; E209-Y213 PolarHBondContact O-N 2.87Å; E209-Y213 VanDerWaalsContact O-N 3.13Å; E209-Y213 VanDerWaalsContact OE1-CE2 3.3Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.45Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.29Å; E209-Y213 PolarHBondContact OE1-OH 2.87Å; E209-C326 HydrophobicContact CB-CB 4.18Å; E209-R327 HydrophobicContact CG-CG 4.42Å; E209-R327 IonicContact OE1-NE 3.78Å
210	S	98.6	Very high	98	Very high	4 Å²	4	7.7 Å²	7.7	3%	0.028	4%	0.037	C	C	.	.	H	α-helix	trans	-60.6	-39.9	177.7	-58	0	0	0	0	111.9	Y191 S193 D206 D207 M208 G212 Y213 V214	Y191-S210 WeakPolarHBondContact O-CA 3.1Å; Y191-S210 WeakPolarHBondContact O-CB 3.35Å; Y191-S210 PolarHBondContact O-OG 2.89Å; Y191-S210 VanDerWaalsContact O-OG 3.06Å; S193-S210 PolarHBondContact N-OG 3.3Å; D206-S210 VanDerWaalsContact O-CB 3.27Å; D206-S210 WeakPolarHBondContact O-CB 3.2Å; D206-S210 PolarHBondContact O-N 2.7Å; D206-S210 PolarHBondContact O-OG 2.74Å; D207-S210 PolarHBondContact O-N 2.87Å; M208-S210 VanDerWaalsContact C-N 3.34Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-G212 PolarHBondContact O-N 3.13Å; S210-Y213 PolarHBondContact O-N 2.98Å; S210-V214 WeakPolarHBondContact O-CG2 3.28Å; S210-V214 PolarHBondContact O-N 2.68Å
211	M	98.6	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.6	-41	173.4	-173.7	176.8	-59.5	0	0	112	M124 I125 I128 I141 D207 M208 E209 Y213 V214 L215	M124-M211 HydrophobicContact CB-CE 3.91Å; M124-M211 HydrophobicContact CB-CG 4.46Å; M124-M211 HydrophobicContact CB-SD 3.73Å; M124-M211 HydrophobicContact CE-CG 4.06Å; M124-M211 WeakPolarHBondContact O-CE 3.5Å; I125-M211 HydrophobicContact CB-SD 4.27Å; I125-M211 HydrophobicContact CG1-SD 3.47Å; I125-M211 WeakPolarHBondContact CG1-SD 3.41Å; I128-M211 HydrophobicContact CB-CE 3.73Å; I128-M211 HydrophobicContact CG1-CE 3.27Å; I128-M211 HydrophobicContact CG2-CE 4.39Å; I141-M211 HydrophobicContact CG2-CB 4.03Å; D207-M211 WeakPolarHBondContact O-CB 3.29Å; D207-M211 PolarHBondContact O-N 2.84Å; M208-M211 HydrophobicContact CE-SD 4.49Å; M208-M211 WeakPolarHBondContact O-CB 3.47Å; M208-M211 PolarHBondContact O-N 3.01Å; E209-M211 VanDerWaalsContact C-N 3.29Å; E209-M211 PolarHBondContact O-N 2.86Å; M211-Y213 VanDerWaalsContact C-N 3.31Å; M211-Y213 PolarHBondContact O-N 3.49Å; M211-V214 WeakPolarHBondContact O-CA 3.4Å; M211-V214 WeakPolarHBondContact O-CB 3.41Å; M211-V214 PolarHBondContact O-N 2.92Å; M211-L215 WeakPolarHBondContact O-CG 3.48Å; M211-L215 PolarHBondContact O-N 2.81Å
212	G	98.4	Very high	97.9	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-59.1	-41	175.1	0	0	0	0	0	112.6	M208 E209 S210 V214 L215 M216 Y322	M208-G212 PolarHBondContact O-N 3.09Å; M208-G212 VanDerWaalsContact O-N 3.09Å; E209-G212 PolarHBondContact O-N 2.89Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-G212 PolarHBondContact O-N 3.13Å; G212-V214 VanDerWaalsContact C-N 3.34Å; G212-V214 PolarHBondContact O-N 3.03Å; G212-L215 PolarHBondContact O-N 3.43Å; G212-M216 WeakPolarHBondContact O-CG 3.18Å; G212-M216 PolarHBondContact O-N 3.41Å; G212-Y322 VanDerWaalsContact CA-CE1 3.47Å
213	Y	98.2	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.5	-35.4	172.9	-63	-45.2	0	0	0	113	Y191 E209 S210 M211 Y217 W225 L311 L323 R327	Y191-Y213 VanDerWaalsContact O-CD2 3.31Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.31Å; E209-Y213 HydrophobicContact CG-CD2 4.47Å; E209-Y213 HydrophobicContact CG-CE2 3.75Å; E209-Y213 PolarHBondContact O-N 2.87Å; E209-Y213 VanDerWaalsContact O-N 3.13Å; E209-Y213 VanDerWaalsContact OE1-CE2 3.3Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.45Å; E209-Y213 VanDerWaalsContact OE1-CZ 3.29Å; E209-Y213 PolarHBondContact OE1-OH 2.87Å; S210-Y213 PolarHBondContact O-N 2.98Å; M211-Y213 VanDerWaalsContact C-N 3.31Å; M211-Y213 PolarHBondContact O-N 3.49Å; Y213-Y217 VanDerWaalsContact O-CB 3.26Å; Y213-Y217 WeakPolarHBondContact O-CB 3.33Å; Y213-Y217 PolarHBondContact O-N 3.28Å; Y213-W225 AromaticContact CD1-CH2 3.53Å; Y213-W225 HydrophobicContact CD1-CH2 3.53Å; Y213-W225 AromaticContact CD1-CZ2 3.57Å; Y213-W225 HydrophobicContact CD1-CZ2 3.57Å; Y213-W225 AromaticContact CE1-CH2 3.57Å; Y213-W225 HydrophobicContact CE1-CH2 3.57Å; Y213-W225 AromaticContact CE1-CZ2 3.92Å; Y213-W225 HydrophobicContact CE1-CZ2 3.92Å; Y213-W225 HydrophobicContact CG-CH2 4.36Å; Y213-W225 AromaticContact CG-CZ2 3.96Å; Y213-W225 HydrophobicContact CG-CZ2 3.96Å; Y213-L311 HydrophobicContact CD1-CD2 3.92Å; Y213-L311 HydrophobicContact CE1-CD2 4.01Å; Y213-L323 HydrophobicContact CD1-CD2 4.29Å; Y213-L323 HydrophobicContact CE1-CD2 4.23Å; Y213-R327 PolarHBondContact OH-NH2 3.13Å
214	V	98.6	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65	-42.3	174.5	171	0	0	0	0	111.4	M124 I141 P143 Y191 S210 M211 G212 Y217 F218	M124-V214 HydrophobicContact CE-CB 4.38Å; M124-V214 HydrophobicContact CE-CG1 3.75Å; I141-V214 HydrophobicContact CG2-CG2 4.31Å; P143-V214 HydrophobicContact CG-CG1 3.93Å; Y191-V214 HydrophobicContact CD1-CG2 3.64Å; Y191-V214 HydrophobicContact CD2-CG2 4.5Å; Y191-V214 HydrophobicContact CE1-CG2 4.08Å; Y191-V214 HydrophobicContact CG-CG2 3.87Å; S210-V214 WeakPolarHBondContact O-CG2 3.28Å; S210-V214 PolarHBondContact O-N 2.68Å; M211-V214 WeakPolarHBondContact O-CA 3.4Å; M211-V214 WeakPolarHBondContact O-CB 3.41Å; M211-V214 PolarHBondContact O-N 2.92Å; G212-V214 VanDerWaalsContact C-N 3.34Å; G212-V214 PolarHBondContact O-N 3.03Å; V214-Y217 WeakPolarHBondContact O-CB 3.43Å; V214-Y217 PolarHBondContact O-N 2.95Å; V214-F218 HydrophobicContact CG1-CD2 4.07Å; V214-F218 HydrophobicContact CG1-CE1 4.46Å; V214-F218 HydrophobicContact CG1-CE2 3.4Å; V214-F218 VanDerWaalsContact CG1-CE2 3.4Å; V214-F218 HydrophobicContact CG1-CZ 3.63Å; V214-F218 WeakPolarHBondContact O-CD2 3.39Å; V214-F218 WeakPolarHBondContact O-CG 3.49Å; V214-F218 PolarHBondContact O-N 2.62Å
215	L	98.7	Very high	97.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-44.5	176.3	-63.2	179.3	0	0	0	111.6	V117 A121 M124 M211 G212 Y217 F218 N219 F319 F344	V117-L215 HydrophobicContact CG1-CB 4.47Å; V117-L215 HydrophobicContact CG1-CD2 4.18Å; A121-L215 HydrophobicContact CB-CD1 3.79Å; A121-L215 HydrophobicContact CB-CD2 3.72Å; A121-L215 HydrophobicContact CB-CG 4.43Å; M124-L215 HydrophobicContact SD-CD2 4.2Å; M211-L215 WeakPolarHBondContact O-CG 3.48Å; M211-L215 PolarHBondContact O-N 2.81Å; G212-L215 PolarHBondContact O-N 3.43Å; L215-Y217 VanDerWaalsContact C-N 3.3Å; L215-Y217 PolarHBondContact O-N 2.83Å; L215-F218 PolarHBondContact O-N 3.03Å; L215-N219 PolarHBondContact O-N 3.43Å; L215-N219 VanDerWaalsContact O-N 3.11Å; L215-F319 HydrophobicContact CB-CD1 4.4Å; L215-F319 HydrophobicContact CB-CE1 4.1Å; L215-F344 HydrophobicContact CD1-CE2 3.59Å; L215-F344 HydrophobicContact CD1-CZ 3.62Å
216	M	97.9	Very high	96.6	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-64.9	-34.7	174.6	-69.3	-50.9	-55.9	0	0	112.5	G212 F218 N219 M220 L223 L311 C312 Y315 F319 L323	G212-M216 WeakPolarHBondContact O-CG 3.18Å; G212-M216 PolarHBondContact O-N 3.41Å; M216-F218 PolarHBondContact O-N 3.3Å; M216-N219 PolarHBondContact O-N 3.3Å; M216-M220 HydrophobicContact CB-SD 4.36Å; M216-M220 HydrophobicContact CE-CG 4.06Å; M216-M220 HydrophobicContact CE-SD 3.87Å; M216-M220 VanDerWaalsContact O-CB 3.29Å; M216-M220 WeakPolarHBondContact O-CB 3.16Å; M216-M220 WeakPolarHBondContact O-CG 3.42Å; M216-M220 PolarHBondContact O-N 3.3Å; M216-L223 HydrophobicContact CB-CD2 4.13Å; M216-L311 HydrophobicContact CB-CD2 4.4Å; M216-L311 HydrophobicContact CB-CG 4.44Å; M216-L311 WeakPolarHBondContact CE-O 3.27Å; M216-L311 HydrophobicContact CG-CD2 4.16Å; M216-L311 HydrophobicContact CG-CG 4.25Å; M216-C312 HydrophobicContact CE-CB 4.5Å; M216-C312 VanDerWaalsContact SD-SG 3.67Å; M216-Y315 HydrophobicContact CE-CD2 3.62Å; M216-Y315 HydrophobicContact CE-CE2 4.02Å; M216-Y315 HydrophobicContact CE-CG 4.07Å; M216-F319 HydrophobicContact SD-CB 3.77Å; M216-F319 HydrophobicContact SD-CD1 3.82Å; M216-F319 HydrophobicContact SD-CG 3.89Å; M216-L323 HydrophobicContact CG-CD1 4.16Å
217	Y	97.9	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-43.6	173.7	170.5	-106.5	0	0	0	112.2	E102 F105 R110 P143 R190 Y191 Y213 V214 L215 M220 G221 L223 Q226	E102-Y217 VanDerWaalsContact CD-OH 3.3Å; E102-Y217 PolarHBondContact OE1-OH 3.5Å; E102-Y217 VanDerWaalsContact OE2-CE1 3.27Å; E102-Y217 WeakPolarHBondContact OE2-CE1 3.43Å; E102-Y217 PolarHBondContact OE2-OH 2.87Å; F105-Y217 HydrophobicContact CD1-CD1 4.48Å; F105-Y217 AromaticContact CD1-CE1 3.63Å; F105-Y217 HydrophobicContact CD1-CE1 3.63Å; F105-Y217 AromaticContact CD1-CZ 3.88Å; F105-Y217 HydrophobicContact CE1-CD1 4.07Å; F105-Y217 AromaticContact CE1-CE1 3.47Å; F105-Y217 HydrophobicContact CE1-CE1 3.47Å; F105-Y217 VanDerWaalsContact CE1-CE1 3.47Å; F105-Y217 HydrophobicContact CE1-CE2 4.12Å; F105-Y217 AromaticContact CE1-CZ 3.53Å; F105-Y217 HydrophobicContact CZ-CE1 4.34Å; F105-Y217 WeakPolarHBondContact CZ-O 3.09Å; R110-Y217 PolarHBondContact NH1-OH 3.06Å; R110-Y217 VanDerWaalsContact NH2-CE2 3.3Å; R110-Y217 VanDerWaalsContact NH2-CZ 3.33Å; R110-Y217 PolarHBondContact NH2-OH 3.38Å; P143-Y217 HydrophobicContact CG-CD1 3.91Å; P143-Y217 HydrophobicContact CG-CE1 3.84Å; R190-Y217 PolarHBondContact NH1-OH 3.17Å; Y191-Y217 HydrophobicContact CE1-CD1 4.1Å; Y191-Y217 HydrophobicContact CE1-CD2 4.32Å; Y191-Y217 AromaticContact CE1-CG 3.89Å; Y191-Y217 HydrophobicContact CE1-CG 3.89Å; Y191-Y217 VanDerWaalsContact OH-CE1 3.27Å; Y191-Y217 WeakPolarHBondContact OH-CE1 3.13Å; Y213-Y217 VanDerWaalsContact O-CB 3.26Å; Y213-Y217 WeakPolarHBondContact O-CB 3.33Å; Y213-Y217 PolarHBondContact O-N 3.28Å; V214-Y217 WeakPolarHBondContact O-CB 3.43Å; V214-Y217 PolarHBondContact O-N 2.95Å; L215-Y217 VanDerWaalsContact C-N 3.3Å; L215-Y217 PolarHBondContact O-N 2.83Å; Y217-M220 PolarHBondContact O-N 3.1Å; Y217-G221 PolarHBondContact O-N 3.3Å; Y217-L223 HydrophobicContact CD2-CD1 4.49Å; Y217-L223 HydrophobicContact CD2-CG 4.23Å; Y217-Q226 VanDerWaalsContact CE2-OE1 3.31Å
218	F	98.5	Very high	94	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-40.7	176.3	-64.9	-39	0	0	0	113.1	L101 F105 F112 V117 M124 P143 V214 L215 M216	L101-F218 HydrophobicContact CB-CE1 4.34Å; L101-F218 HydrophobicContact CB-CZ 3.82Å; L101-F218 HydrophobicContact CD1-CE2 4.07Å; L101-F218 HydrophobicContact CD1-CZ 3.86Å; L101-F218 HydrophobicContact CG-CZ 4.49Å; F105-F218 HydrophobicContact CB-CE1 4.44Å; F105-F218 HydrophobicContact CD1-CD1 4.5Å; F105-F218 AromaticContact CD2-CD1 3.88Å; F105-F218 HydrophobicContact CD2-CD1 3.88Å; F105-F218 HydrophobicContact CE2-CB 4.37Å; F105-F218 HydrophobicContact CE2-CD1 4.03Å; F105-F218 WeakPolarHBondContact CE2-O 3.42Å; F105-F218 HydrophobicContact CG-CD1 4.1Å; F105-F218 HydrophobicContact CG-CE1 4.41Å; F105-F218 HydrophobicContact CZ-CD1 4.36Å; F112-F218 HydrophobicContact CB-CB 4.49Å; F112-F218 HydrophobicContact CD2-CB 3.83Å; F112-F218 AromaticContact CD2-CD1 3.69Å; F112-F218 HydrophobicContact CD2-CD1 3.69Å; F112-F218 HydrophobicContact CD2-CD2 4.25Å; F112-F218 HydrophobicContact CD2-CE1 4.28Å; F112-F218 AromaticContact CD2-CG 3.68Å; F112-F218 HydrophobicContact CD2-CG 3.68Å; F112-F218 AromaticContact CE2-CD1 3.64Å; F112-F218 HydrophobicContact CE2-CD1 3.64Å; F112-F218 HydrophobicContact CE2-CD2 4.47Å; F112-F218 AromaticContact CE2-CE1 3.77Å; F112-F218 HydrophobicContact CE2-CE1 3.77Å; F112-F218 HydrophobicContact CE2-CG 4.02Å; F112-F218 HydrophobicContact CE2-CZ 4.26Å; V117-F218 HydrophobicContact CG2-CB 3.75Å; M124-F218 HydrophobicContact SD-CE2 4.37Å; P143-F218 HydrophobicContact CB-CE1 3.83Å; P143-F218 HydrophobicContact CB-CZ 3.8Å; P143-F218 HydrophobicContact CG-CE1 3.7Å; P143-F218 HydrophobicContact CG-CZ 3.75Å; V214-F218 HydrophobicContact CG1-CD2 4.07Å; V214-F218 HydrophobicContact CG1-CE1 4.46Å; V214-F218 HydrophobicContact CG1-CE2 3.4Å; V214-F218 VanDerWaalsContact CG1-CE2 3.4Å; V214-F218 HydrophobicContact CG1-CZ 3.63Å; V214-F218 WeakPolarHBondContact O-CD2 3.39Å; V214-F218 WeakPolarHBondContact O-CG 3.49Å; V214-F218 PolarHBondContact O-N 2.62Å; L215-F218 PolarHBondContact O-N 3.03Å; M216-F218 PolarHBondContact O-N 3.3Å
219	N	97.5	Very high	92.2	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-45.4	176.4	-83.4	-27.2	0	0	0	112.6	L215 M216 Y315 F319	L215-N219 PolarHBondContact O-N 3.43Å; L215-N219 VanDerWaalsContact O-N 3.11Å; M216-N219 PolarHBondContact O-N 3.3Å; N219-Y315 HydrophobicContact CB-CD1 3.94Å; N219-Y315 HydrophobicContact CB-CE1 3.52Å; N219-Y315 PolarHBondContact O-OH 3.26Å; N219-Y315 VanDerWaalsContact O-OH 3.1Å; N219-F319 WeakPolarHBondContact ND2-CE1 3.44Å; N219-F319 WeakPolarHBondContact ND2-CZ 3.41Å
220	M	95.8	Very high	90.3	Very high	61 Å²	61	30.1 Å²	30.1	30%	0.3	17%	0.168	S	C	.	.	H	α-helix	trans	-91	-14.4	-169.7	-61.8	174.6	86	0	0	114.5	M216 Y217 K222 P224 L311 Y315	M216-M220 HydrophobicContact CB-SD 4.36Å; M216-M220 HydrophobicContact CE-CG 4.06Å; M216-M220 HydrophobicContact CE-SD 3.87Å; M216-M220 VanDerWaalsContact O-CB 3.29Å; M216-M220 WeakPolarHBondContact O-CB 3.16Å; M216-M220 WeakPolarHBondContact O-CG 3.42Å; M216-M220 PolarHBondContact O-N 3.3Å; Y217-M220 PolarHBondContact O-N 3.1Å; M220-K222 VanDerWaalsContact CB-O 3.28Å; M220-K222 WeakPolarHBondContact CB-O 3.25Å; M220-K222 PolarHBondContact O-N 2.84Å; M220-P224 HydrophobicContact CE-CG 4.25Å; M220-L311 HydrophobicContact CE-CD1 4.28Å; M220-L311 HydrophobicContact SD-CD1 3.79Å; M220-Y315 HydrophobicContact CG-CE2 3.77Å
221	G	95.6	Very high	88.2	Confident	16 Å²	16	32.2 Å²	32.2	17%	0.165	18%	0.183	C	C	.	.	S	Bend	trans	78.8	-30.9	-170.7	0	0	0	0	0	114	R110 Y217	R110-G221 PolarHBondContact NH2-O 3.2Å; R110-G221 VanDerWaalsContact O-CA 3.24Å; R110-G221 WeakPolarHBondContact O-CA 3.5Å; Y217-G221 PolarHBondContact O-N 3.3Å
222	K	94.7	Very high	86.1	Confident	149 Å²	149	35.2 Å²	35.2	65%	0.648	20%	0.201	S	C	*	.	S	Bend	trans	-155.2	148.6	173.8	65.9	-173.8	-179.8	-174.2	0	110.8	M220 Q226	M220-K222 VanDerWaalsContact CB-O 3.28Å; M220-K222 WeakPolarHBondContact CB-O 3.25Å; M220-K222 PolarHBondContact O-N 2.84Å; K222-Q226 VanDerWaalsContact CA-OE1 3.24Å
223	L	94.4	Very high	83.9	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	23%	0.233	C	C	.	.			trans	-82.8	148	170.2	-67.3	165.8	0	0	0	111	R190 Y191 M216 Y217 W225 Q226 L311	R190-L223 HydrophobicContact CG-CD1 4.09Å; Y191-L223 HydrophobicContact CD1-CD1 3.94Å; Y191-L223 HydrophobicContact CE1-CD1 3.94Å; M216-L223 HydrophobicContact CB-CD2 4.13Å; Y217-L223 HydrophobicContact CD2-CD1 4.49Å; Y217-L223 HydrophobicContact CD2-CG 4.23Å; L223-W225 HydrophobicContact CB-CD2 4.25Å; L223-W225 HydrophobicContact CB-CZ2 4.02Å; L223-W225 HydrophobicContact CD1-CZ2 3.77Å; L223-W225 HydrophobicContact CD2-CH2 4.15Å; L223-W225 HydrophobicContact CD2-CZ2 3.84Å; L223-W225 HydrophobicContact CG-CZ2 4.08Å; L223-W225 PolarHBondContact O-N 3.21Å; L223-W225 VanDerWaalsContact O-N 3.13Å; L223-Q226 HydrophobicContact CB-CG 4.23Å; L223-Q226 WeakPolarHBondContact O-CB 3.36Å; L223-Q226 PolarHBondContact O-N 2.8Å; L223-L311 HydrophobicContact CD2-CD1 4.21Å
224	P	92.3	Very high	81.6	Confident	23 Å²	23	50 Å²	50	15%	0.149	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.5	-177.3	-27.1	35	0	0	0	114.7	M220 K302 Y306 L311	M220-P224 HydrophobicContact CE-CG 4.25Å; P224-K302 WeakPolarHBondContact O-CE 3.44Å; P224-K302 PolarHBondContact O-NZ 3.01Å; P224-Y306 HydrophobicContact CB-CD1 4.27Å; P224-Y306 HydrophobicContact CB-CD2 4.06Å; P224-Y306 HydrophobicContact CB-CE1 3.88Å; P224-Y306 HydrophobicContact CB-CE2 3.67Å; P224-Y306 HydrophobicContact CB-CG 4.34Å; P224-Y306 HydrophobicContact CG-CD1 3.94Å; P224-Y306 HydrophobicContact CG-CE1 3.58Å; P224-Y306 HydrophobicContact CG-CE2 4.32Å; P224-Y306 HydrophobicContact CG-CG 4.43Å; P224-L311 HydrophobicContact CG-CD1 3.92Å
225	W	91.7	Very high	79.4	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.015	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	10.2	179.6	52.6	80.8	0	0	0	114.5	R190 Y213 L223 M228 I299 K302 K303 L311	R190-W225 PolarHBondContact O-NE1 3.29Å; Y213-W225 AromaticContact CD1-CH2 3.53Å; Y213-W225 HydrophobicContact CD1-CH2 3.53Å; Y213-W225 AromaticContact CD1-CZ2 3.57Å; Y213-W225 HydrophobicContact CD1-CZ2 3.57Å; Y213-W225 AromaticContact CE1-CH2 3.57Å; Y213-W225 HydrophobicContact CE1-CH2 3.57Å; Y213-W225 AromaticContact CE1-CZ2 3.92Å; Y213-W225 HydrophobicContact CE1-CZ2 3.92Å; Y213-W225 HydrophobicContact CG-CH2 4.36Å; Y213-W225 AromaticContact CG-CZ2 3.96Å; Y213-W225 HydrophobicContact CG-CZ2 3.96Å; L223-W225 HydrophobicContact CB-CD2 4.25Å; L223-W225 HydrophobicContact CB-CZ2 4.02Å; L223-W225 HydrophobicContact CD1-CZ2 3.77Å; L223-W225 HydrophobicContact CD2-CH2 4.15Å; L223-W225 HydrophobicContact CD2-CZ2 3.84Å; L223-W225 HydrophobicContact CG-CZ2 4.08Å; L223-W225 PolarHBondContact O-N 3.21Å; L223-W225 VanDerWaalsContact O-N 3.13Å; W225-M228 HydrophobicContact CB-SD 4.15Å; W225-M228 WeakPolarHBondContact O-CG 3.3Å; W225-I299 HydrophobicContact CB-CG2 4.38Å; W225-I299 HydrophobicContact CG-CG2 4.35Å; W225-K302 HydrophobicContact CB-CB 4.2Å; W225-K302 HydrophobicContact CB-CD 4.25Å; W225-K302 HydrophobicContact CB-CG 4.18Å; W225-K303 HydrophobicContact CD2-CD 4.36Å; W225-K303 HydrophobicContact CD2-CG 3.54Å; W225-K303 HydrophobicContact CE3-CG 3.7Å; W225-K303 HydrophobicContact CG-CG 3.92Å; W225-K303 HydrophobicContact CH2-CG 4.35Å; W225-K303 HydrophobicContact CZ2-CG 4.22Å; W225-K303 HydrophobicContact CZ3-CG 4.11Å; W225-L311 HydrophobicContact CH2-CD1 3.99Å; W225-L311 HydrophobicContact CH2-CD2 3.81Å; W225-L311 HydrophobicContact CZ3-CD1 4.04Å; W225-L311 HydrophobicContact CZ3-CD2 4.36Å
226	Q	86.7	Confident	76.9	Confident	50 Å²	50	61.8 Å²	61.8	23%	0.234	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	155.6	168.5	-72.8	-177.5	-104.8	0	0	112	R190 Y217 K222 L223 M228	R190-Q226 HydrophobicContact CG-CG 3.86Å; Y217-Q226 VanDerWaalsContact CE2-OE1 3.31Å; K222-Q226 VanDerWaalsContact CA-OE1 3.24Å; L223-Q226 HydrophobicContact CB-CG 4.23Å; L223-Q226 WeakPolarHBondContact O-CB 3.36Å; L223-Q226 PolarHBondContact O-N 2.8Å; Q226-M228 VanDerWaalsContact C-N 3.26Å; Q226-M228 PolarHBondContact O-N 3.49Å
227	G	76.9	Confident	74.7	Confident	75 Å²	75	68 Å²	68	77%	0.773	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	6.6	174.4	0	0	0	0	0	115.5	K229	G227-K229 PolarHBondContact O-N 2.82Å
228	M	66	Low	72.6	Confident	44 Å²	44	72.6 Å²	72.6	22%	0.217	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-65.2	120.1	177.5	-59	-169.9	85.9	0	0	110.4	W225 Q226 R298 I299 K302	W225-M228 HydrophobicContact CB-SD 4.15Å; W225-M228 WeakPolarHBondContact O-CG 3.3Å; Q226-M228 VanDerWaalsContact C-N 3.26Å; Q226-M228 PolarHBondContact O-N 3.49Å; M228-R298 HydrophobicContact CE-CB 3.7Å; M228-R298 HydrophobicContact CE-CG 4.47Å; M228-R298 VanDerWaalsContact CE-O 3.27Å; M228-R298 WeakPolarHBondContact CE-O 3.46Å; M228-R298 HydrophobicContact SD-CB 4.23Å; M228-R298 VanDerWaalsContact SD-O 3.35Å; M228-I299 HydrophobicContact CB-CG1 4.45Å; M228-I299 HydrophobicContact SD-CG1 4.05Å; M228-K302 HydrophobicContact CE-CB 3.9Å; M228-K302 HydrophobicContact CE-CD 3.71Å; M228-K302 HydrophobicContact CE-CG 4.45Å; M228-K302 HydrophobicContact SD-CB 3.86Å; M228-K302 HydrophobicContact SD-CD 3.74Å; M228-K302 HydrophobicContact SD-CG 4.41Å
229	K	60.9	Low	70.4	Confident	173 Å²	173	73.9 Å²	73.9	75%	0.752	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-88.8	145.8	174.6	-63.9	-178.1	-179	177.3	0	109.2	G227 R298	G227-K229 PolarHBondContact O-N 2.82Å; K229-R298 PolarHBondContact O-NH1 2.92Å
230	A	58.1	Low	68.6	Low	21 Å²	21	83.7 Å²	83.7	17%	0.174	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-60.5	145.4	165	0	0	0	0	0	109.4	V232 T291	A230-V232 PolarHBondContact O-N 2.83Å; A230-V232 VanDerWaalsContact O-N 3.09Å; A230-T291 HydrophobicContact CB-CG2 3.92Å; A230-T291 WeakPolarHBondContact CB-O 3.31Å
231	S	55.1	Low	66.7	Low	48 Å²	48	91.8 Å²	91.8	34%	0.336	44%	0.438	S	S	.	.			trans	-73.4	102.2	171.7	-160.7	0	0	0	0	108.7	F233 Q294	S231-F233 VanDerWaalsContact C-N 3.28Å; S231-Q294 PolarHBondContact O-OE1 3.15Å
232	V	53.9	Low	65	Low	62 Å²	62	94.8 Å²	94.8	38%	0.376	46%	0.456	S	S	.	.			trans	-87.8	-2.5	175.5	-168.5	0	0	0	0	111.4	A230 F234 L235 R236 F287	A230-V232 PolarHBondContact O-N 2.83Å; A230-V232 VanDerWaalsContact O-N 3.09Å; V232-F234 VanDerWaalsContact C-N 3.33Å; V232-F234 PolarHBondContact O-N 2.81Å; V232-L235 PolarHBondContact O-N 3.04Å; V232-R236 PolarHBondContact O-N 2.98Å; V232-F287 HydrophobicContact CG1-CE2 4.2Å; V232-F287 HydrophobicContact CG1-CZ 3.79Å; V232-F287 HydrophobicContact CG2-CZ 4.42Å
233	F	53.4	Low	63.4	Low	158 Å²	158	90.3 Å²	90.3	69%	0.693	44%	0.437	S	S	*	.	H	α-helix	trans	-60.6	-39.8	-169.8	-165.2	-98.4	0	0	0	113	S231 L235 L237	S231-F233 VanDerWaalsContact C-N 3.28Å; F233-L235 PolarHBondContact O-N 2.76Å; F233-L237 HydrophobicContact CD1-CD1 4.14Å; F233-L237 HydrophobicContact CE1-CD1 3.77Å; F233-L237 HydrophobicContact CZ-CD1 4.46Å
234	F	49.9	Very low	61.6	Low	155 Å²	155	94 Å²	94	68%	0.68	45%	0.451	S	S	*	.	H	α-helix	trans	-62.7	-26.8	-177.3	-158	-105.4	0	0	0	113.4	V232 I238	V232-F234 VanDerWaalsContact C-N 3.33Å; V232-F234 PolarHBondContact O-N 2.81Å; F234-I238 HydrophobicContact CD1-CD1 3.59Å; F234-I238 HydrophobicContact CE1-CD1 3.58Å; F234-I238 WeakPolarHBondContact O-CG1 3.18Å
235	L	51.2	Low	60.1	Low	33 Å²	33	95.7 Å²	95.7	17%	0.173	46%	0.463	C	S	.	.	H	α-helix	trans	-100	-19.4	-172.3	-73.5	162.6	0	0	0	114.6	V232 F233 L237 I238 F239 F287	V232-L235 PolarHBondContact O-N 3.04Å; F233-L235 PolarHBondContact O-N 2.76Å; L235-L237 PolarHBondContact O-N 3.33Å; L235-I238 HydrophobicContact CD2-CB 4.19Å; L235-I238 HydrophobicContact CD2-CD1 3.75Å; L235-I238 PolarHBondContact O-N 2.99Å; L235-F239 HydrophobicContact CB-CD2 4.46Å; L235-F239 HydrophobicContact CD2-CD2 4.09Å; L235-F239 HydrophobicContact CD2-CE2 3.8Å; L235-F239 PolarHBondContact O-N 2.94Å; L235-F287 HydrophobicContact CB-CE2 4.3Å; L235-F287 HydrophobicContact CD1-CD2 3.26Å; L235-F287 HydrophobicContact CD1-CE2 3.28Å; L235-F287 HydrophobicContact CG-CE2 4.43Å
236	R	47.7	Very low	58.6	Low	215 Å²	215	99 Å²	99	81%	0.811	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-25.4	163.2	-101.4	-174.6	176	178.9	-0.9	112	V232	V232-R236 PolarHBondContact O-N 2.98Å
237	L	50.8	Low	57.1	Low	133 Å²	133	96.9 Å²	96.9	70%	0.696	47%	0.474	S	S	*	.	H	α-helix	trans	-78.1	-40.4	174.4	-97.5	139.7	0	0	0	112.3	F233 L235	F233-L237 HydrophobicContact CD1-CD1 4.14Å; F233-L237 HydrophobicContact CE1-CD1 3.77Å; F233-L237 HydrophobicContact CZ-CD1 4.46Å; L235-L237 PolarHBondContact O-N 3.33Å
238	I	53.3	Low	56.2	Low	96 Å²	96	95.9 Å²	95.9	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-76.5	-38.4	-178.1	-66.1	167	0	0	0	111.9	F234 L235	F234-I238 HydrophobicContact CD1-CD1 3.59Å; F234-I238 HydrophobicContact CE1-CD1 3.58Å; F234-I238 WeakPolarHBondContact O-CG1 3.18Å; L235-I238 HydrophobicContact CD2-CB 4.19Å; L235-I238 HydrophobicContact CD2-CD1 3.75Å; L235-I238 PolarHBondContact O-N 2.99Å
239	F	53.7	Low	55.9	Low	26 Å²	26	100.9 Å²	100.9	11%	0.114	47%	0.473	C	S	.	.	S	Bend	trans	-102.9	121.8	-176.9	-69	-61.4	0	0	0	112.2	L235 R241 F243 L271 V283	L235-F239 HydrophobicContact CB-CD2 4.46Å; L235-F239 HydrophobicContact CD2-CD2 4.09Å; L235-F239 HydrophobicContact CD2-CE2 3.8Å; L235-F239 PolarHBondContact O-N 2.94Å; F239-R241 PolarHBondContact O-N 2.88Å; F239-F243 HydrophobicContact CB-CD1 4.09Å; F239-F243 AromaticContact CD1-CD1 3.21Å; F239-F243 HydrophobicContact CD1-CD1 3.21Å; F239-F243 AromaticContact CD1-CE1 3.3Å; F239-F243 HydrophobicContact CD1-CE1 3.3Å; F239-F243 HydrophobicContact CD1-CG 4.19Å; F239-F243 HydrophobicContact CD1-CZ 4.33Å; F239-F243 AromaticContact CE1-CD1 3.82Å; F239-F243 HydrophobicContact CE1-CD1 3.82Å; F239-F243 AromaticContact CE1-CE1 3.36Å; F239-F243 HydrophobicContact CE1-CE1 3.36Å; F239-F243 HydrophobicContact CE1-CZ 4.14Å; F239-F243 AromaticContact CG-CD1 3.82Å; F239-F243 HydrophobicContact CG-CD1 3.82Å; F239-F243 HydrophobicContact CG-CE1 4.13Å; F239-F243 HydrophobicContact CZ-CE1 4.18Å; F239-L271 HydrophobicContact CE1-CD1 3.36Å; F239-L271 HydrophobicContact CZ-CD1 3.55Å; F239-V283 HydrophobicContact CZ-CG1 4.03Å
240	R	58.1	Low	55.7	Low	212 Å²	212	93.9 Å²	93.9	80%	0.8	45%	0.445	S	S	*	.			trans	-49.8	137.1	167.5	-84.3	-175.3	155.7	-168.9	-5.5	109.7	S242 F243 W244	R240-S242 PolarHBondContact O-N 2.85Å; R240-F243 WeakPolarHBondContact O-CB 3.25Å; R240-F243 PolarHBondContact O-N 2.87Å; R240-W244 PolarHBondContact O-N 3.34Å
241	R	56.7	Low	55.5	Low	232 Å²	232	96 Å²	96	88%	0.875	45%	0.453	S	S	*	.	H	α-helix	trans	-52.2	-31.5	-177.9	-164.7	176.3	171.4	168.9	-3.8	113.3	F239 S245	F239-R241 PolarHBondContact O-N 2.88Å; R241-S245 PolarHBondContact O-N 3.21Å
242	S	59.9	Low	55.4	Low	79 Å²	79	98.4 Å²	98.4	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-67.8	-44.2	174.4	53.1	0	0	0	0	113	R240 W244 S245 T246	R240-S242 PolarHBondContact O-N 2.85Å; S242-W244 VanDerWaalsContact C-N 3.32Å; S242-W244 PolarHBondContact O-N 3.08Å; S242-S245 WeakPolarHBondContact O-CB 3.49Å; S242-S245 PolarHBondContact O-N 2.84Å; S242-T246 PolarHBondContact O-N 3.46Å; S242-T246 PolarHBondContact O-OG1 2.86Å
243	F	61.3	Low	55.3	Low	55 Å²	55	99.9 Å²	99.9	24%	0.241	48%	0.475	C	S	.	.	H	α-helix	trans	-61	-42.1	177.4	-175.3	-96	0	0	0	111.3	F239 R240 S245 T246 V247 L271 L280	F239-F243 HydrophobicContact CB-CD1 4.09Å; F239-F243 AromaticContact CD1-CD1 3.21Å; F239-F243 HydrophobicContact CD1-CD1 3.21Å; F239-F243 AromaticContact CD1-CE1 3.3Å; F239-F243 HydrophobicContact CD1-CE1 3.3Å; F239-F243 HydrophobicContact CD1-CG 4.19Å; F239-F243 HydrophobicContact CD1-CZ 4.33Å; F239-F243 AromaticContact CE1-CD1 3.82Å; F239-F243 HydrophobicContact CE1-CD1 3.82Å; F239-F243 AromaticContact CE1-CE1 3.36Å; F239-F243 HydrophobicContact CE1-CE1 3.36Å; F239-F243 HydrophobicContact CE1-CZ 4.14Å; F239-F243 AromaticContact CG-CD1 3.82Å; F239-F243 HydrophobicContact CG-CD1 3.82Å; F239-F243 HydrophobicContact CG-CE1 4.13Å; F239-F243 HydrophobicContact CZ-CE1 4.18Å; R240-F243 WeakPolarHBondContact O-CB 3.25Å; R240-F243 PolarHBondContact O-N 2.87Å; F243-S245 VanDerWaalsContact C-N 3.34Å; F243-S245 PolarHBondContact O-N 3.16Å; F243-T246 PolarHBondContact O-N 3.28Å; F243-V247 HydrophobicContact CD1-CG2 3.91Å; F243-V247 HydrophobicContact CE1-CG2 3.6Å; F243-V247 HydrophobicContact CZ-CG2 4.02Å; F243-V247 WeakPolarHBondContact O-CG2 3.5Å; F243-V247 PolarHBondContact O-N 2.92Å; F243-L271 HydrophobicContact CE1-CD1 4.33Å; F243-L271 HydrophobicContact CZ-CD1 4.08Å; F243-L271 HydrophobicContact CZ-CD2 4.16Å; F243-L280 HydrophobicContact CE1-CD2 4.45Å; F243-L280 HydrophobicContact CE2-CD2 3.59Å; F243-L280 HydrophobicContact CZ-CD2 3.45Å; F243-L280 VanDerWaalsContact CZ-CD2 3.45Å
244	W	56.6	Low	55	Low	81 Å²	81	94.6 Å²	94.6	31%	0.307	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177.3	-169.1	-107	0	0	0	112.9	R240 S242 T246 V247 V248 F284 F287	R240-W244 PolarHBondContact O-N 3.34Å; S242-W244 VanDerWaalsContact C-N 3.32Å; S242-W244 PolarHBondContact O-N 3.08Å; W244-T246 VanDerWaalsContact C-N 3.33Å; W244-T246 PolarHBondContact O-N 2.92Å; W244-V247 PolarHBondContact O-N 3.39Å; W244-V248 HydrophobicContact CZ2-CG2 4.37Å; W244-V248 WeakPolarHBondContact O-CG2 3.15Å; W244-V248 PolarHBondContact O-N 2.9Å; W244-F284 HydrophobicContact CH2-CD2 4.49Å; W244-F284 HydrophobicContact CH2-CE2 4.4Å; W244-F287 AromaticContact CH2-CD1 3.69Å; W244-F287 HydrophobicContact CH2-CD1 3.69Å; W244-F287 HydrophobicContact CH2-CD2 4.46Å; W244-F287 AromaticContact CH2-CE1 3.42Å; W244-F287 HydrophobicContact CH2-CE1 3.42Å; W244-F287 VanDerWaalsContact CH2-CE1 3.42Å; W244-F287 HydrophobicContact CH2-CE2 4.2Å; W244-F287 HydrophobicContact CH2-CG 4.19Å; W244-F287 AromaticContact CH2-CZ 3.66Å; W244-F287 HydrophobicContact CH2-CZ 3.66Å; W244-F287 HydrophobicContact CZ2-CE1 4.02Å; W244-F287 HydrophobicContact CZ2-CZ 4.22Å; W244-F287 HydrophobicContact CZ3-CD1 4.47Å; W244-F287 HydrophobicContact CZ3-CE1 4.47Å
245	S	60	Low	54.5	Low	58 Å²	58	95.6 Å²	95.6	41%	0.406	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-41.5	177	-169.2	0	0	0	0	111.7	R241 S242 F243 K249	R241-S245 PolarHBondContact O-N 3.21Å; S242-S245 WeakPolarHBondContact O-CB 3.49Å; S242-S245 PolarHBondContact O-N 2.84Å; F243-S245 VanDerWaalsContact C-N 3.34Å; F243-S245 PolarHBondContact O-N 3.16Å; S245-K249 WeakPolarHBondContact O-CG 3.36Å; S245-K249 PolarHBondContact O-N 3.24Å; S245-K249 VanDerWaalsContact O-N 3.14Å
246	T	59.7	Low	54.1	Low	74 Å²	74	97.8 Å²	97.8	45%	0.454	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-45.9	176.2	-53.4	0	0	0	0	111.8	S242 F243 W244 V248 K249 V250	S242-T246 PolarHBondContact O-N 3.46Å; S242-T246 PolarHBondContact O-OG1 2.86Å; F243-T246 PolarHBondContact O-N 3.28Å; W244-T246 VanDerWaalsContact C-N 3.33Å; W244-T246 PolarHBondContact O-N 2.92Å; T246-V248 VanDerWaalsContact C-N 3.35Å; T246-V248 PolarHBondContact O-N 2.8Å; T246-K249 PolarHBondContact O-N 3.28Å; T246-V250 HydrophobicContact CG2-CG2 4.45Å; T246-V250 VanDerWaalsContact O-CG2 3.29Å; T246-V250 WeakPolarHBondContact O-CG2 3.44Å; T246-V250 PolarHBondContact O-N 2.82Å
247	V	55.3	Low	53.7	Low	4 Å²	4	96.3 Å²	96.3	2%	0.024	48%	0.483	C	S	.	.	H	α-helix	trans	-60.5	-42.6	179.1	173.1	0	0	0	0	111.8	F243 W244 V250 N251 L280 F284	F243-V247 HydrophobicContact CD1-CG2 3.91Å; F243-V247 HydrophobicContact CE1-CG2 3.6Å; F243-V247 HydrophobicContact CZ-CG2 4.02Å; F243-V247 WeakPolarHBondContact O-CG2 3.5Å; F243-V247 PolarHBondContact O-N 2.92Å; W244-V247 PolarHBondContact O-N 3.39Å; V247-V250 PolarHBondContact O-N 3.06Å; V247-N251 PolarHBondContact O-N 3.47Å; V247-L280 HydrophobicContact CG2-CD2 4.1Å; V247-F284 HydrophobicContact CG1-CB 3.74Å; V247-F284 HydrophobicContact CG1-CD2 3.49Å; V247-F284 VanDerWaalsContact CG1-CD2 3.49Å; V247-F284 HydrophobicContact CG1-CE2 4.44Å; V247-F284 HydrophobicContact CG1-CG 3.96Å
248	V	58.2	Low	53	Low	55 Å²	55	93.7 Å²	93.7	33%	0.333	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-44.4	177.6	173	0	0	0	0	111.5	W244 T246 V250 N251 D252	W244-V248 HydrophobicContact CZ2-CG2 4.37Å; W244-V248 WeakPolarHBondContact O-CG2 3.15Å; W244-V248 PolarHBondContact O-N 2.9Å; T246-V248 VanDerWaalsContact C-N 3.35Å; T246-V248 PolarHBondContact O-N 2.8Å; V248-V250 VanDerWaalsContact C-N 3.34Å; V248-V250 PolarHBondContact O-N 3.32Å; V248-N251 PolarHBondContact O-N 2.91Å; V248-D252 PolarHBondContact O-N 2.94Å
249	K	59.8	Low	52.5	Low	149 Å²	149	95.1 Å²	95.1	65%	0.648	49%	0.488	S	S	*	.	H	α-helix	trans	-62.4	-37.4	178.4	-74.9	179	-178.9	-175.4	0	113.4	S245 T246 N251 S253	S245-K249 WeakPolarHBondContact O-CG 3.36Å; S245-K249 PolarHBondContact O-N 3.24Å; S245-K249 VanDerWaalsContact O-N 3.14Å; T246-K249 PolarHBondContact O-N 3.28Å; K249-N251 VanDerWaalsContact C-N 3.27Å; K249-N251 PolarHBondContact O-N 3.27Å; K249-S253 PolarHBondContact O-OG 3.31Å; K249-S253 VanDerWaalsContact O-OG 3.11Å
250	V	56.8	Low	51.4	Low	25 Å²	25	99.1 Å²	99.1	15%	0.152	52%	0.517	C	S	.	.	H	α-helix	trans	-68.8	-25.3	179.3	170.1	0	0	0	0	112.3	T246 V247 V248 S253 I277 K281	T246-V250 HydrophobicContact CG2-CG2 4.45Å; T246-V250 VanDerWaalsContact O-CG2 3.29Å; T246-V250 WeakPolarHBondContact O-CG2 3.44Å; T246-V250 PolarHBondContact O-N 2.82Å; V247-V250 PolarHBondContact O-N 3.06Å; V248-V250 VanDerWaalsContact C-N 3.34Å; V248-V250 PolarHBondContact O-N 3.32Å; V250-S253 PolarHBondContact O-OG 3.02Å; V250-I277 HydrophobicContact CG1-CG2 3.81Å; V250-K281 HydrophobicContact CG1-CD 4.46Å; V250-K281 HydrophobicContact CG1-CG 3.97Å
251	N	53.2	Low	50.1	Low	66 Å²	66	94.3 Å²	94.3	35%	0.353	51%	0.505	S	S	.	.	H	α-helix	trans	-86.2	-35.8	178.4	-172.9	65.1	0	0	0	113.1	V247 V248 K249 S253 D254 F284	V247-N251 PolarHBondContact O-N 3.47Å; V248-N251 PolarHBondContact O-N 2.91Å; K249-N251 VanDerWaalsContact C-N 3.27Å; K249-N251 PolarHBondContact O-N 3.27Å; N251-S253 PolarHBondContact O-N 3.02Å; N251-D254 PolarHBondContact O-N 3.3Å; N251-F284 HydrophobicContact CB-CD1 4.02Å; N251-F284 HydrophobicContact CB-CE1 3.91Å; N251-F284 HydrophobicContact CB-CZ 4.37Å; N251-F284 WeakPolarHBondContact ND2-CE1 3.45Å
252	D	53.3	Low	48.8	Very low	99 Å²	99	88.4 Å²	88.4	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-24.9	179.2	-102.1	-28.9	0	0	0	113	V248 D254 K255	V248-D252 PolarHBondContact O-N 2.94Å; D252-D254 VanDerWaalsContact C-N 3.34Å; D252-D254 PolarHBondContact O-N 3.23Å; D252-K255 WeakPolarHBondContact OD1-CE 3.15Å; D252-K255 IonicContact OD1-NZ 3.05Å
253	S	52.5	Low	47.3	Very low	93 Å²	93	91.7 Å²	91.7	65%	0.65	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-6	180	34	0	0	0	0	115	K249 V250 N251	K249-S253 PolarHBondContact O-OG 3.31Å; K249-S253 VanDerWaalsContact O-OG 3.11Å; V250-S253 PolarHBondContact O-OG 3.02Å; N251-S253 PolarHBondContact O-N 3.02Å
254	D	46.8	Very low	45.8	Very low	46 Å²	46	92.6 Å²	92.6	25%	0.246	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	36.6	-171.6	-134.9	6.9	0	0	0	113.4	N251 D252 G256 R257 K281	N251-D254 PolarHBondContact O-N 3.3Å; D252-D254 VanDerWaalsContact C-N 3.34Å; D252-D254 PolarHBondContact O-N 3.23Å; D254-G256 PolarHBondContact O-N 3.43Å; D254-R257 IonicContact OD1-CZ 3.7Å; D254-R257 IonicContact OD1-NE 3.69Å; D254-R257 IonicContact OD1-NH2 2.88Å; D254-R257 PolarHBondContact OD1-NH2 3.32Å; D254-K281 IonicContact OD2-NZ 2.84Å; D254-K281 PolarHBondContact OD2-NZ 3.42Å
255	K	40.4	Very low	44.7	Very low	177 Å²	177	92.5 Å²	92.5	77%	0.77	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	98.1	171.4	-70	-178.5	-176.6	169.5	0	110.1	D252	D252-K255 WeakPolarHBondContact OD1-CE 3.15Å; D252-K255 IonicContact OD1-NZ 3.05Å
256	G	41.6	Very low	43.8	Very low	79 Å²	79	96.6 Å²	96.6	81%	0.814	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	147.7	-12.8	166.9	0	0	0	0	0	118.2	D254	D254-G256 PolarHBondContact O-N 3.43Å
257	R	38.8	Very low	42.9	Very low	183 Å²	183	100.4 Å²	100.4	69%	0.691	58%	0.576	S	S	*	*			trans	-102.7	109.7	178.1	-80	-171.1	-76.3	-125.1	-5.6	112	D254	D254-R257 IonicContact OD1-CZ 3.7Å; D254-R257 IonicContact OD1-NE 3.69Å; D254-R257 IonicContact OD1-NH2 2.88Å; D254-R257 PolarHBondContact OD1-NH2 3.32Å
258	G	37.9	Very low	42.4	Very low	79 Å²	79	104.9 Å²	104.9	81%	0.814	60%	0.599	S	S	*	*			trans	-72.3	143.5	172.8	0	0	0	0	0	112.2
259	W	41.3	Very low	41.6	Very low	126 Å²	126	104.9 Å²	104.9	48%	0.477	60%	0.6	S	S	.	*			trans	-112.1	144.3	179.7	-76.6	66.8	0	0	0	111.7	H278	W259-H278 AromaticContact CH2-CE1 3.6Å; W259-H278 AromaticContact CH2-ND1 3.12Å; W259-H278 WeakPolarHBondContact CH2-ND1 3.35Å; W259-H278 AromaticContact CZ2-CE1 3.89Å; W259-H278 AromaticContact CZ2-ND1 3.55Å
260	P	31.3	Very low	41.1	Very low	110 Å²	110	102 Å²	102	71%	0.714	60%	0.604	S	S	*	*			trans	-70	146.1	175.3	25.8	-29.5	0	0	0	112.1	V262	P260-V262 PolarHBondContact O-N 3.18Å
261	M	30.2	Very low	40.7	Very low	111 Å²	111	103.1 Å²	103.1	55%	0.547	61%	0.609	S	S	.	*			trans	-74.3	114.7	-176.8	-176.4	-174.9	-75.2	0	0	110	I263	M261-I263 HydrophobicContact CG-CD1 4.44Å; M261-I263 HydrophobicContact CG-CG1 3.71Å; M261-I263 HydrophobicContact SD-CD1 3.88Å; M261-I263 HydrophobicContact SD-CG1 3.71Å
262	V	30.4	Very low	40.4	Very low	108 Å²	108	107.5 Å²	107.5	66%	0.655	63%	0.627	S	S	*	*			trans	-90.4	105.9	165	-176.8	0	0	0	0	107.5	P260	P260-V262 PolarHBondContact O-N 3.18Å
263	I	27.2	Very low	39.8	Very low	148 Å²	148	111.9 Å²	111.9	76%	0.759	65%	0.65	S	S	*	*			trans	-87.9	117.3	173	-47.7	173.1	0	0	0	105.6	M261	M261-I263 HydrophobicContact CG-CD1 4.44Å; M261-I263 HydrophobicContact CG-CG1 3.71Å; M261-I263 HydrophobicContact SD-CD1 3.88Å; M261-I263 HydrophobicContact SD-CG1 3.71Å
264	G	30.5	Very low	40	Very low	74 Å²	74	111.3 Å²	111.3	76%	0.763	66%	0.659	S	S	*	*			trans	177.1	-21.9	176	0	0	0	0	0	120.7
265	S	34.1	Very low	40.8	Very low	78 Å²	78	111.6 Å²	111.6	55%	0.545	66%	0.658	S	S	.	*			trans	-148.1	132	178.2	59.7	0	0	0	0	113.3	H267	S265-H267 VanDerWaalsContact C-N 3.25Å
266	T	40.9	Very low	42.1	Very low	144 Å²	144	106.2 Å²	106.2	88%	0.883	64%	0.643	S	S	*	*	S	Bend	trans	-79.6	-7.3	172.4	44.8	0	0	0	0	112.8
267	H	39.7	Very low	43.3	Very low	155 Å²	155	107.2 Å²	107.2	72%	0.718	63%	0.629	S	S	*	*	S	Bend	trans	-92.6	119.8	177.8	-74.5	-82.6	0	0	0	110.7	S265	S265-H267 VanDerWaalsContact C-N 3.25Å
268	L	44.8	Very low	44.4	Very low	97 Å²	97	103.8 Å²	103.8	51%	0.508	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-53.9	124.7	160.7	-88.8	141.1	0	0	0	107.8	A270 V283	L268-A270 PolarHBondContact O-N 3Å; L268-V283 HydrophobicContact CD2-CG1 4.03Å; L268-V283 HydrophobicContact CD2-CG2 4.46Å
269	P	42.8	Very low	45.8	Very low	55 Å²	55	103.9 Å²	103.9	36%	0.357	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-59.4	137.5	171	22.1	-29.1	0	0	0	109.1	L271	P269-L271 PolarHBondContact O-N 2.82Å
270	A	47.6	Very low	47	Very low	90 Å²	90	99 Å²	99	74%	0.744	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-57.2	128.8	174.8	0	0	0	0	0	109.5	L268 Q275	L268-A270 PolarHBondContact O-N 3Å; A270-Q275 PolarHBondContact O-NE2 3.41Å
271	L	48.6	Very low	48.4	Very low	47 Å²	47	95.7 Å²	95.7	25%	0.246	56%	0.557	C	S	.	*	P	Polyproline II helix	trans	-97.7	122.6	-175.8	-75.6	150.9	0	0	0	109.8	F239 F243 P269 V283	F239-L271 HydrophobicContact CE1-CD1 3.36Å; F239-L271 HydrophobicContact CZ-CD1 3.55Å; F243-L271 HydrophobicContact CE1-CD1 4.33Å; F243-L271 HydrophobicContact CZ-CD1 4.08Å; F243-L271 HydrophobicContact CZ-CD2 4.16Å; P269-L271 PolarHBondContact O-N 2.82Å; L271-V283 HydrophobicContact CD1-CB 4.48Å; L271-V283 HydrophobicContact CD1-CG1 3.93Å; L271-V283 HydrophobicContact CD1-CG2 3.86Å; L271-V283 HydrophobicContact CD2-CG2 3.78Å; L271-V283 HydrophobicContact CG-CG2 4.21Å
272	E	47.6	Very low	50.1	Low	158 Å²	158	93.7 Å²	93.7	74%	0.738	55%	0.548	S	S	*	.			trans	-109.3	155.1	169.8	-69.9	-175.1	173.1	0	0	111.3	G274	E272-G274 PolarHBondContact O-N 2.98Å; E272-G274 VanDerWaalsContact O-N 3.15Å
273	L	41.6	Very low	51.8	Low	191 Å²	191	88.9 Å²	88.9	100%	1	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	110	173.4	-97.1	134.1	0	0	0	109.5
274	G	56.3	Low	53.6	Low	82 Å²	82	83 Å²	83	85%	0.845	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.7	-1.2	178.5	0	0	0	0	0	115.7	E272	E272-G274 PolarHBondContact O-N 2.98Å; E272-G274 VanDerWaalsContact O-N 3.15Å
275	Q	63.1	Low	54.8	Low	51 Å²	51	84.4 Å²	84.4	24%	0.238	47%	0.47	C	S	.	.			trans	-69.3	148.4	-178.8	-69.5	-171.6	-1.7	0	0	114	A270 Q279	A270-Q275 PolarHBondContact O-NE2 3.41Å; Q275-Q279 HydrophobicContact CB-CB 4.1Å
276	S	68.3	Low	56.1	Low	64 Å²	64	83.7 Å²	83.7	45%	0.448	46%	0.458	S	S	.	.			trans	-63	155.7	-177.9	73.4	0	0	0	0	112.6	H278 Q279 L280	S276-H278 PolarHBondContact O-N 3.11Å; S276-Q279 PolarHBondContact O-N 2.9Å; S276-L280 PolarHBondContact O-N 3.15Å
277	I	66.3	Low	57.1	Low	101 Å²	101	77.8 Å²	77.8	52%	0.518	42%	0.42	S	S	.	.	H	α-helix	trans	-49.7	-32.6	174.2	-72.5	171	0	0	0	111.9	V250 K281	V250-I277 HydrophobicContact CG1-CG2 3.81Å; I277-K281 HydrophobicContact CG2-CD 4.02Å; I277-K281 HydrophobicContact CG2-CG 4.48Å; I277-K281 WeakPolarHBondContact O-CB 3.44Å; I277-K281 VanDerWaalsContact O-CG 3.32Å; I277-K281 WeakPolarHBondContact O-CG 3.29Å; I277-K281 PolarHBondContact O-N 2.99Å
278	H	62.2	Low	58.3	Low	111 Å²	111	74.6 Å²	74.6	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-41.2	177.5	-70.1	-72.1	0	0	0	113.2	W259 S276 K281 L282	W259-H278 AromaticContact CH2-CE1 3.6Å; W259-H278 AromaticContact CH2-ND1 3.12Å; W259-H278 WeakPolarHBondContact CH2-ND1 3.35Å; W259-H278 AromaticContact CZ2-CE1 3.89Å; W259-H278 AromaticContact CZ2-ND1 3.55Å; S276-H278 PolarHBondContact O-N 3.11Å; H278-K281 PolarHBondContact O-N 3Å; H278-L282 WeakPolarHBondContact O-CB 3.46Å; H278-L282 PolarHBondContact O-N 3.15Å
279	Q	66.7	Low	58.8	Low	81 Å²	81	71.9 Å²	71.9	38%	0.379	40%	0.397	S	S	.	.	H	α-helix	trans	-71.1	-38.8	178.2	-73	-164.2	-42.7	0	0	112	Q275 S276 K281 L282 V283	Q275-Q279 HydrophobicContact CB-CB 4.1Å; S276-Q279 PolarHBondContact O-N 2.9Å; Q279-K281 VanDerWaalsContact C-N 3.31Å; Q279-K281 PolarHBondContact O-N 3.11Å; Q279-L282 WeakPolarHBondContact O-CB 3.37Å; Q279-L282 PolarHBondContact O-N 3.35Å; Q279-V283 WeakPolarHBondContact O-CG2 3.47Å; Q279-V283 PolarHBondContact O-N 2.82Å
280	L	65.9	Low	59.7	Low	23 Å²	23	71.2 Å²	71.2	12%	0.12	40%	0.396	C	S	.	.	H	α-helix	trans	-60.3	-40.7	172.8	-66.7	175.8	0	0	0	111.9	F243 V247 S276 F284	F243-L280 HydrophobicContact CE1-CD2 4.45Å; F243-L280 HydrophobicContact CE2-CD2 3.59Å; F243-L280 HydrophobicContact CZ-CD2 3.45Å; F243-L280 VanDerWaalsContact CZ-CD2 3.45Å; V247-L280 HydrophobicContact CG2-CD2 4.1Å; S276-L280 PolarHBondContact O-N 3.15Å; L280-F284 PolarHBondContact O-N 2.88Å
281	K	62.4	Low	60.6	Low	41 Å²	41	67.7 Å²	67.7	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-66.3	-40.9	175	-75.9	176.8	179	173.4	0	112.4	V250 D254 I277 H278 Q279 F284 W285	V250-K281 HydrophobicContact CG1-CD 4.46Å; V250-K281 HydrophobicContact CG1-CG 3.97Å; D254-K281 IonicContact OD2-NZ 2.84Å; D254-K281 PolarHBondContact OD2-NZ 3.42Å; I277-K281 HydrophobicContact CG2-CD 4.02Å; I277-K281 HydrophobicContact CG2-CG 4.48Å; I277-K281 WeakPolarHBondContact O-CB 3.44Å; I277-K281 VanDerWaalsContact O-CG 3.32Å; I277-K281 WeakPolarHBondContact O-CG 3.29Å; I277-K281 PolarHBondContact O-N 2.99Å; H278-K281 PolarHBondContact O-N 3Å; Q279-K281 VanDerWaalsContact C-N 3.31Å; Q279-K281 PolarHBondContact O-N 3.11Å; K281-F284 PolarHBondContact O-N 2.69Å; K281-W285 WeakPolarHBondContact O-CB 3.28Å; K281-W285 PolarHBondContact O-N 2.85Å
282	L	65.8	Low	61.6	Low	68 Å²	68	71 Å²	71	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-47.4	176.5	-164.5	93.3	0	0	0	110.9	H278 Q279 F284 W285 F286	H278-L282 WeakPolarHBondContact O-CB 3.46Å; H278-L282 PolarHBondContact O-N 3.15Å; Q279-L282 WeakPolarHBondContact O-CB 3.37Å; Q279-L282 PolarHBondContact O-N 3.35Å; L282-F284 PolarHBondContact O-N 3.27Å; L282-W285 PolarHBondContact O-N 2.91Å; L282-F286 HydrophobicContact CD1-CE2 4.28Å; L282-F286 HydrophobicContact CD2-CD2 4.12Å; L282-F286 HydrophobicContact CD2-CE2 3.78Å; L282-F286 HydrophobicContact CG-CD2 3.86Å; L282-F286 HydrophobicContact CG-CE2 3.74Å; L282-F286 VanDerWaalsContact O-CD2 3.3Å; L282-F286 WeakPolarHBondContact O-CD2 3.34Å; L282-F286 PolarHBondContact O-N 3.12Å
283	V	65.4	Low	62.8	Low	7 Å²	7	70 Å²	70	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-43.5	177.6	171.5	0	0	0	0	111.3	F239 L268 L271 Q279 W285 F286 F287	F239-V283 HydrophobicContact CZ-CG1 4.03Å; L268-V283 HydrophobicContact CD2-CG1 4.03Å; L268-V283 HydrophobicContact CD2-CG2 4.46Å; L271-V283 HydrophobicContact CD1-CB 4.48Å; L271-V283 HydrophobicContact CD1-CG1 3.93Å; L271-V283 HydrophobicContact CD1-CG2 3.86Å; L271-V283 HydrophobicContact CD2-CG2 3.78Å; L271-V283 HydrophobicContact CG-CG2 4.21Å; Q279-V283 WeakPolarHBondContact O-CG2 3.47Å; Q279-V283 PolarHBondContact O-N 2.82Å; V283-W285 VanDerWaalsContact C-N 3.32Å; V283-W285 PolarHBondContact O-N 2.71Å; V283-F286 PolarHBondContact O-N 2.84Å; V283-F287 VanDerWaalsContact O-CB 3.31Å; V283-F287 WeakPolarHBondContact O-CB 3.27Å; V283-F287 PolarHBondContact O-N 3.48Å
284	F	64.9	Low	64.3	Low	25 Å²	25	64.2 Å²	64.2	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-39.5	174.9	-172.7	-103	0	0	0	112.3	W244 V247 N251 L280 K281 L282 F287 Q288	W244-F284 HydrophobicContact CH2-CD2 4.49Å; W244-F284 HydrophobicContact CH2-CE2 4.4Å; V247-F284 HydrophobicContact CG1-CB 3.74Å; V247-F284 HydrophobicContact CG1-CD2 3.49Å; V247-F284 VanDerWaalsContact CG1-CD2 3.49Å; V247-F284 HydrophobicContact CG1-CE2 4.44Å; V247-F284 HydrophobicContact CG1-CG 3.96Å; N251-F284 HydrophobicContact CB-CD1 4.02Å; N251-F284 HydrophobicContact CB-CE1 3.91Å; N251-F284 HydrophobicContact CB-CZ 4.37Å; N251-F284 WeakPolarHBondContact ND2-CE1 3.45Å; L280-F284 PolarHBondContact O-N 2.88Å; K281-F284 PolarHBondContact O-N 2.69Å; L282-F284 PolarHBondContact O-N 3.27Å; F284-F287 WeakPolarHBondContact O-CB 3.35Å; F284-F287 PolarHBondContact O-N 2.98Å; F284-Q288 HydrophobicContact CD1-CG 4.06Å; F284-Q288 HydrophobicContact CE1-CG 3.65Å; F284-Q288 HydrophobicContact CZ-CG 3.95Å; F284-Q288 VanDerWaalsContact CZ-NE2 3.34Å; F284-Q288 WeakPolarHBondContact O-CG 3.34Å; F284-Q288 PolarHBondContact O-N 3.49Å
285	W	56	Low	65.2	Low	103 Å²	103	64.9 Å²	64.9	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-46.9	177.4	-172.1	86.6	0	0	0	112.2	K281 L282 V283 F287 Q288 A289	K281-W285 WeakPolarHBondContact O-CB 3.28Å; K281-W285 PolarHBondContact O-N 2.85Å; L282-W285 PolarHBondContact O-N 2.91Å; V283-W285 VanDerWaalsContact C-N 3.32Å; V283-W285 PolarHBondContact O-N 2.71Å; W285-F287 PolarHBondContact O-N 3.43Å; W285-Q288 PolarHBondContact O-N 2.87Å; W285-A289 WeakPolarHBondContact O-CB 3.49Å; W285-A289 PolarHBondContact O-N 2.85Å
286	F	61.1	Low	65.9	Low	64 Å²	64	66.1 Å²	66.1	28%	0.281	32%	0.321	S	S	.	.	H	α-helix	trans	-56.1	-39.9	171.7	-88.5	-72.7	0	0	0	111.3	L282 V283 A289 A290	L282-F286 HydrophobicContact CD1-CE2 4.28Å; L282-F286 HydrophobicContact CD2-CD2 4.12Å; L282-F286 HydrophobicContact CD2-CE2 3.78Å; L282-F286 HydrophobicContact CG-CD2 3.86Å; L282-F286 HydrophobicContact CG-CE2 3.74Å; L282-F286 VanDerWaalsContact O-CD2 3.3Å; L282-F286 WeakPolarHBondContact O-CD2 3.34Å; L282-F286 PolarHBondContact O-N 3.12Å; V283-F286 PolarHBondContact O-N 2.84Å; F286-A289 PolarHBondContact O-N 2.66Å; F286-A290 VanDerWaalsContact O-CB 3.31Å; F286-A290 WeakPolarHBondContact O-CB 3.44Å; F286-A290 PolarHBondContact O-N 2.81Å
287	F	63	Low	66.4	Low	19 Å²	19	66.9 Å²	66.9	8%	0.083	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-47.8	174.4	172.3	-97.8	0	0	0	113.2	V232 L235 W244 V283 F284 W285 A289 A290 T291	V232-F287 HydrophobicContact CG1-CE2 4.2Å; V232-F287 HydrophobicContact CG1-CZ 3.79Å; V232-F287 HydrophobicContact CG2-CZ 4.42Å; L235-F287 HydrophobicContact CB-CE2 4.3Å; L235-F287 HydrophobicContact CD1-CD2 3.26Å; L235-F287 HydrophobicContact CD1-CE2 3.28Å; L235-F287 HydrophobicContact CG-CE2 4.43Å; W244-F287 AromaticContact CH2-CD1 3.69Å; W244-F287 HydrophobicContact CH2-CD1 3.69Å; W244-F287 HydrophobicContact CH2-CD2 4.46Å; W244-F287 AromaticContact CH2-CE1 3.42Å; W244-F287 HydrophobicContact CH2-CE1 3.42Å; W244-F287 VanDerWaalsContact CH2-CE1 3.42Å; W244-F287 HydrophobicContact CH2-CE2 4.2Å; W244-F287 HydrophobicContact CH2-CG 4.19Å; W244-F287 AromaticContact CH2-CZ 3.66Å; W244-F287 HydrophobicContact CH2-CZ 3.66Å; W244-F287 HydrophobicContact CZ2-CE1 4.02Å; W244-F287 HydrophobicContact CZ2-CZ 4.22Å; W244-F287 HydrophobicContact CZ3-CD1 4.47Å; W244-F287 HydrophobicContact CZ3-CE1 4.47Å; V283-F287 VanDerWaalsContact O-CB 3.31Å; V283-F287 WeakPolarHBondContact O-CB 3.27Å; V283-F287 PolarHBondContact O-N 3.48Å; F284-F287 WeakPolarHBondContact O-CB 3.35Å; F284-F287 PolarHBondContact O-N 2.98Å; W285-F287 PolarHBondContact O-N 3.43Å; F287-A289 VanDerWaalsContact C-N 3.28Å; F287-A289 PolarHBondContact O-N 3.23Å; F287-A290 PolarHBondContact O-N 2.92Å; F287-T291 HydrophobicContact CD1-CG2 4.33Å; F287-T291 HydrophobicContact CD2-CG2 4.06Å; F287-T291 HydrophobicContact CE1-CG2 3.82Å; F287-T291 HydrophobicContact CE2-CG2 3.59Å; F287-T291 HydrophobicContact CG-CG2 4.46Å; F287-T291 HydrophobicContact CZ-CG2 3.47Å; F287-T291 VanDerWaalsContact CZ-CG2 3.47Å; F287-T291 WeakPolarHBondContact O-CB 3.37Å; F287-T291 WeakPolarHBondContact O-CG2 3.31Å; F287-T291 PolarHBondContact O-N 3.37Å; F287-T291 PolarHBondContact O-OG1 2.71Å
288	Q	63.2	Low	67	Low	88 Å²	88	66.3 Å²	66.3	41%	0.411	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-38.7	176.4	-71.1	-62.7	-42.9	0	0	111.1	F284 W285 T291 K292	F284-Q288 HydrophobicContact CD1-CG 4.06Å; F284-Q288 HydrophobicContact CE1-CG 3.65Å; F284-Q288 HydrophobicContact CZ-CG 3.95Å; F284-Q288 VanDerWaalsContact CZ-NE2 3.34Å; F284-Q288 WeakPolarHBondContact O-CG 3.34Å; F284-Q288 PolarHBondContact O-N 3.49Å; W285-Q288 PolarHBondContact O-N 2.87Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.45Å; Q288-T291 PolarHBondContact O-OG1 2.75Å; Q288-K292 WeakPolarHBondContact O-CB 3.47Å; Q288-K292 PolarHBondContact O-N 2.74Å
289	A	55.5	Low	67.9	Low	40 Å²	40	61.6 Å²	61.6	33%	0.331	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-46.2	174.7	0	0	0	0	0	111.8	W285 F286 F287 K292 K293	W285-A289 WeakPolarHBondContact O-CB 3.49Å; W285-A289 PolarHBondContact O-N 2.85Å; F286-A289 PolarHBondContact O-N 2.66Å; F287-A289 VanDerWaalsContact C-N 3.28Å; F287-A289 PolarHBondContact O-N 3.23Å; A289-K292 PolarHBondContact O-N 3Å; A289-K293 WeakPolarHBondContact O-CB 3.4Å; A289-K293 PolarHBondContact O-N 3.28Å
290	A	62.3	Low	68.6	Low	42 Å²	42	58.6 Å²	58.6	35%	0.347	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-45.3	177.3	0	0	0	0	0	111.8	F286 F287 K292 K293 Q294	F286-A290 VanDerWaalsContact O-CB 3.31Å; F286-A290 WeakPolarHBondContact O-CB 3.44Å; F286-A290 PolarHBondContact O-N 2.81Å; F287-A290 PolarHBondContact O-N 2.92Å; A290-K292 PolarHBondContact O-N 3.25Å; A290-K293 PolarHBondContact O-N 3.18Å; A290-Q294 WeakPolarHBondContact O-CB 3.35Å; A290-Q294 VanDerWaalsContact O-CG 3.24Å; A290-Q294 WeakPolarHBondContact O-CG 3.5Å; A290-Q294 PolarHBondContact O-N 2.71Å
291	T	67.2	Low	69.4	Low	15 Å²	15	63.4 Å²	63.4	9%	0.092	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-36.1	176.9	52.3	0	0	0	0	112.4	A230 F287 Q288 K295	A230-T291 HydrophobicContact CB-CG2 3.92Å; A230-T291 WeakPolarHBondContact CB-O 3.31Å; F287-T291 HydrophobicContact CD1-CG2 4.33Å; F287-T291 HydrophobicContact CD2-CG2 4.06Å; F287-T291 HydrophobicContact CE1-CG2 3.82Å; F287-T291 HydrophobicContact CE2-CG2 3.59Å; F287-T291 HydrophobicContact CG-CG2 4.46Å; F287-T291 HydrophobicContact CZ-CG2 3.47Å; F287-T291 VanDerWaalsContact CZ-CG2 3.47Å; F287-T291 WeakPolarHBondContact O-CB 3.37Å; F287-T291 WeakPolarHBondContact O-CG2 3.31Å; F287-T291 PolarHBondContact O-N 3.37Å; F287-T291 PolarHBondContact O-OG1 2.71Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.45Å; Q288-T291 PolarHBondContact O-OG1 2.75Å; T291-K295 VanDerWaalsContact O-CB 3.22Å; T291-K295 WeakPolarHBondContact O-CB 3.38Å; T291-K295 PolarHBondContact O-N 2.87Å
292	K	68.5	Low	70.5	Confident	118 Å²	118	64.9 Å²	64.9	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-45.3	173.2	-174.2	179.3	-174.7	-172.9	0	111.4	Q288 A289 A290 K295 Y296	Q288-K292 WeakPolarHBondContact O-CB 3.47Å; Q288-K292 PolarHBondContact O-N 2.74Å; A289-K292 PolarHBondContact O-N 3Å; A290-K292 PolarHBondContact O-N 3.25Å; K292-K295 PolarHBondContact O-N 2.84Å; K292-Y296 HydrophobicContact CD-CE2 3.97Å; K292-Y296 WeakPolarHBondContact CE-OH 3.44Å; K292-Y296 HydrophobicContact CG-CD2 4.06Å; K292-Y296 HydrophobicContact CG-CE2 3.37Å; K292-Y296 WeakPolarHBondContact O-CD2 3.44Å; K292-Y296 PolarHBondContact O-N 2.73Å
293	K	73.1	Confident	71.6	Confident	136 Å²	136	61.7 Å²	61.7	59%	0.591	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-52.4	175.1	-170.9	-175.5	-177.3	-163.4	0	111.1	A289 A290 K295 Y296 E297	A289-K293 WeakPolarHBondContact O-CB 3.4Å; A289-K293 PolarHBondContact O-N 3.28Å; A290-K293 PolarHBondContact O-N 3.18Å; K293-K295 VanDerWaalsContact C-N 3.28Å; K293-K295 PolarHBondContact O-N 2.89Å; K293-Y296 PolarHBondContact O-N 3.28Å; K293-E297 WeakPolarHBondContact CE-OE1 3.19Å; K293-E297 HydrophobicContact CG-CG 4.46Å; K293-E297 WeakPolarHBondContact CG-OE1 3.31Å; K293-E297 IonicContact NZ-OE1 2.75Å; K293-E297 WeakPolarHBondContact O-CG 3.44Å; K293-E297 PolarHBondContact O-N 3.18Å
294	Q	73.9	Confident	72.4	Confident	70 Å²	70	65.7 Å²	65.7	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-57.2	-39.2	176.1	-74.5	174.6	-5.6	0	0	112.9	S231 A290 Y296 E297 R298	S231-Q294 PolarHBondContact O-OE1 3.15Å; A290-Q294 WeakPolarHBondContact O-CB 3.35Å; A290-Q294 VanDerWaalsContact O-CG 3.24Å; A290-Q294 WeakPolarHBondContact O-CG 3.5Å; A290-Q294 PolarHBondContact O-N 2.71Å; Q294-Y296 VanDerWaalsContact C-N 3.33Å; Q294-E297 WeakPolarHBondContact CA-OE2 3.39Å; Q294-R298 WeakPolarHBondContact O-CB 3.47Å; Q294-R298 VanDerWaalsContact O-CG 3.27Å; Q294-R298 WeakPolarHBondContact O-CG 3.42Å; Q294-R298 PolarHBondContact O-N 2.86Å
295	K	74.3	Confident	73.3	Confident	95 Å²	95	68 Å²	68	41%	0.413	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-41	175.7	-179.8	-178.7	178.5	-176.7	0	111.2	T291 K292 K293 I299	T291-K295 VanDerWaalsContact O-CB 3.22Å; T291-K295 WeakPolarHBondContact O-CB 3.38Å; T291-K295 PolarHBondContact O-N 2.87Å; K292-K295 PolarHBondContact O-N 2.84Å; K293-K295 VanDerWaalsContact C-N 3.28Å; K293-K295 PolarHBondContact O-N 2.89Å; K295-I299 HydrophobicContact CG-CD1 4.39Å; K295-I299 WeakPolarHBondContact O-CG1 3.31Å; K295-I299 PolarHBondContact O-N 3.35Å
296	Y	77.4	Confident	74.6	Confident	77 Å²	77	67 Å²	67	30%	0.302	33%	0.326	S	S	.	.	H	α-helix	trans	-71.3	-44.6	177.5	-62.5	-40.8	0	0	0	112.2	L185 A189 K292 K293 Q294 R298 I299 T300	L185-Y296 HydrophobicContact CD2-CD1 4.05Å; L185-Y296 HydrophobicContact CD2-CD2 4.35Å; L185-Y296 HydrophobicContact CD2-CE1 4.39Å; L185-Y296 HydrophobicContact CD2-CG 4.05Å; A189-Y296 HydrophobicContact CB-CD1 3.69Å; A189-Y296 HydrophobicContact CB-CE1 3.61Å; K292-Y296 HydrophobicContact CD-CE2 3.97Å; K292-Y296 WeakPolarHBondContact CE-OH 3.44Å; K292-Y296 HydrophobicContact CG-CD2 4.06Å; K292-Y296 HydrophobicContact CG-CE2 3.37Å; K292-Y296 WeakPolarHBondContact O-CD2 3.44Å; K292-Y296 PolarHBondContact O-N 2.73Å; K293-Y296 PolarHBondContact O-N 3.28Å; Q294-Y296 VanDerWaalsContact C-N 3.33Å; Y296-R298 VanDerWaalsContact C-N 3.27Å; Y296-R298 PolarHBondContact O-N 2.96Å; Y296-I299 HydrophobicContact CD1-CD1 4.38Å; Y296-I299 WeakPolarHBondContact O-CA 3.37Å; Y296-I299 WeakPolarHBondContact O-CB 3.47Å; Y296-I299 PolarHBondContact O-N 3.02Å; Y296-T300 PolarHBondContact O-N 2.98Å; Y296-T300 PolarHBondContact O-OG1 3.11Å
297	E	80.2	Confident	75.8	Confident	81 Å²	81	66.1 Å²	66.1	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-52.6	-46.1	173.3	-71.7	166.5	170.4	0	0	111.1	K293 Q294 I299 T300 E301	K293-E297 WeakPolarHBondContact CE-OE1 3.19Å; K293-E297 HydrophobicContact CG-CG 4.46Å; K293-E297 WeakPolarHBondContact CG-OE1 3.31Å; K293-E297 IonicContact NZ-OE1 2.75Å; K293-E297 WeakPolarHBondContact O-CG 3.44Å; K293-E297 PolarHBondContact O-N 3.18Å; Q294-E297 WeakPolarHBondContact CA-OE2 3.39Å; E297-I299 PolarHBondContact O-N 2.86Å; E297-T300 VanDerWaalsContact O-CB 3.31Å; E297-T300 WeakPolarHBondContact O-CB 3.27Å; E297-T300 PolarHBondContact O-N 3.16Å; E297-T300 VanDerWaalsContact O-N 3.15Å; E297-E301 WeakPolarHBondContact O-CG 3.47Å; E297-E301 PolarHBondContact O-N 3.42Å
298	R	77.9	Confident	77.2	Confident	88 Å²	88	65.7 Å²	65.7	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-40.2	175.1	-79.6	177.8	172.3	-151.1	-17.6	114	M228 K229 Q294 Y296 T300 K302	M228-R298 HydrophobicContact CE-CB 3.7Å; M228-R298 HydrophobicContact CE-CG 4.47Å; M228-R298 VanDerWaalsContact CE-O 3.27Å; M228-R298 WeakPolarHBondContact CE-O 3.46Å; M228-R298 HydrophobicContact SD-CB 4.23Å; M228-R298 VanDerWaalsContact SD-O 3.35Å; K229-R298 PolarHBondContact O-NH1 2.92Å; Q294-R298 WeakPolarHBondContact O-CB 3.47Å; Q294-R298 VanDerWaalsContact O-CG 3.27Å; Q294-R298 WeakPolarHBondContact O-CG 3.42Å; Q294-R298 PolarHBondContact O-N 2.86Å; Y296-R298 VanDerWaalsContact C-N 3.27Å; Y296-R298 PolarHBondContact O-N 2.96Å; R298-T300 VanDerWaalsContact C-N 3.32Å; R298-K302 WeakPolarHBondContact O-CB 3.25Å; R298-K302 PolarHBondContact O-N 2.95Å
299	I	80.6	Confident	78.5	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-43.4	175.6	-70.7	166.1	0	0	0	109.4	A189 W225 M228 K295 Y296 E297 K302 K303	A189-I299 HydrophobicContact CB-CD1 4.34Å; W225-I299 HydrophobicContact CB-CG2 4.38Å; W225-I299 HydrophobicContact CG-CG2 4.35Å; M228-I299 HydrophobicContact CB-CG1 4.45Å; M228-I299 HydrophobicContact SD-CG1 4.05Å; K295-I299 HydrophobicContact CG-CD1 4.39Å; K295-I299 WeakPolarHBondContact O-CG1 3.31Å; K295-I299 PolarHBondContact O-N 3.35Å; Y296-I299 HydrophobicContact CD1-CD1 4.38Å; Y296-I299 WeakPolarHBondContact O-CA 3.37Å; Y296-I299 WeakPolarHBondContact O-CB 3.47Å; Y296-I299 PolarHBondContact O-N 3.02Å; E297-I299 PolarHBondContact O-N 2.86Å; I299-K302 PolarHBondContact O-N 2.75Å; I299-K303 HydrophobicContact CG2-CD 4.12Å; I299-K303 HydrophobicContact CG2-CG 4.45Å; I299-K303 WeakPolarHBondContact O-CB 3.3Å; I299-K303 WeakPolarHBondContact O-CG 3.36Å; I299-K303 PolarHBondContact O-N 3.3Å
300	T	83.2	Confident	80.4	Confident	19 Å²	19	68.8 Å²	68.8	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-53.9	176.6	-51.9	0	0	0	0	111.5	H197 Y296 E297 R298 K302 K303 M304	H197-T300 HydrophobicContact CB-CG2 3.69Å; H197-T300 VanDerWaalsContact CB-OG1 3.31Å; H197-T300 WeakPolarHBondContact CB-OG1 3.41Å; H197-T300 VanDerWaalsContact CG-OG1 3.29Å; H197-T300 PolarHBondContact ND1-OG1 3.16Å; H197-T300 VanDerWaalsContact ND1-OG1 3.11Å; Y296-T300 PolarHBondContact O-N 2.98Å; Y296-T300 PolarHBondContact O-OG1 3.11Å; E297-T300 VanDerWaalsContact O-CB 3.31Å; E297-T300 WeakPolarHBondContact O-CB 3.27Å; E297-T300 PolarHBondContact O-N 3.16Å; E297-T300 VanDerWaalsContact O-N 3.15Å; R298-T300 VanDerWaalsContact C-N 3.32Å; T300-K302 VanDerWaalsContact C-N 3.29Å; T300-K302 PolarHBondContact O-N 2.77Å; T300-K303 WeakPolarHBondContact O-CB 3.36Å; T300-K303 PolarHBondContact O-N 2.87Å; T300-K303 VanDerWaalsContact O-N 3.09Å; T300-M304 HydrophobicContact CG2-CE 3.36Å; T300-M304 HydrophobicContact CG2-CG 4.5Å; T300-M304 HydrophobicContact CG2-SD 3.94Å; T300-M304 WeakPolarHBondContact O-CG 3.43Å; T300-M304 PolarHBondContact O-N 2.82Å
301	E	82.6	Confident	81.9	Confident	124 Å²	124	67 Å²	67	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-53.7	-47.2	177.2	-73.4	167.1	-174.1	0	0	111	E297 K303 M304 A305	E297-E301 WeakPolarHBondContact O-CG 3.47Å; E297-E301 PolarHBondContact O-N 3.42Å; E301-K303 PolarHBondContact O-N 3Å; E301-M304 PolarHBondContact O-N 3.01Å; E301-A305 VanDerWaalsContact O-CB 3.28Å; E301-A305 WeakPolarHBondContact O-CB 3.45Å; E301-A305 PolarHBondContact O-N 2.79Å
302	K	84.6	Confident	83.3	Confident	71 Å²	71	66.5 Å²	66.5	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-33.2	-179.9	-167.5	161.8	-176.1	-175.1	0	113	P224 W225 M228 R298 I299 T300 Y306	P224-K302 WeakPolarHBondContact O-CE 3.44Å; P224-K302 PolarHBondContact O-NZ 3.01Å; W225-K302 HydrophobicContact CB-CB 4.2Å; W225-K302 HydrophobicContact CB-CD 4.25Å; W225-K302 HydrophobicContact CB-CG 4.18Å; M228-K302 HydrophobicContact CE-CB 3.9Å; M228-K302 HydrophobicContact CE-CD 3.71Å; M228-K302 HydrophobicContact CE-CG 4.45Å; M228-K302 HydrophobicContact SD-CB 3.86Å; M228-K302 HydrophobicContact SD-CD 3.74Å; M228-K302 HydrophobicContact SD-CG 4.41Å; R298-K302 WeakPolarHBondContact O-CB 3.25Å; R298-K302 PolarHBondContact O-N 2.95Å; I299-K302 PolarHBondContact O-N 2.75Å; T300-K302 VanDerWaalsContact C-N 3.29Å; T300-K302 PolarHBondContact O-N 2.77Å; K302-Y306 HydrophobicContact CG-CD2 4.28Å; K302-Y306 WeakPolarHBondContact O-CB 3.47Å; K302-Y306 PolarHBondContact O-N 3.11Å
303	K	88.1	Confident	84.6	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-68.3	-36.9	173.1	-83.8	-177.4	168.5	-174.8	0	112.5	A189 R190 A192 W225 I299 T300 E301 Y306	A189-K303 PolarHBondContact O-NZ 3.07Å; R190-K303 WeakPolarHBondContact O-CE 3.43Å; R190-K303 PolarHBondContact O-NZ 3.33Å; A192-K303 PolarHBondContact O-NZ 3.35Å; W225-K303 HydrophobicContact CD2-CD 4.36Å; W225-K303 HydrophobicContact CD2-CG 3.54Å; W225-K303 HydrophobicContact CE3-CG 3.7Å; W225-K303 HydrophobicContact CG-CG 3.92Å; W225-K303 HydrophobicContact CH2-CG 4.35Å; W225-K303 HydrophobicContact CZ2-CG 4.22Å; W225-K303 HydrophobicContact CZ3-CG 4.11Å; I299-K303 HydrophobicContact CG2-CD 4.12Å; I299-K303 HydrophobicContact CG2-CG 4.45Å; I299-K303 WeakPolarHBondContact O-CB 3.3Å; I299-K303 WeakPolarHBondContact O-CG 3.36Å; I299-K303 PolarHBondContact O-N 3.3Å; T300-K303 WeakPolarHBondContact O-CB 3.36Å; T300-K303 PolarHBondContact O-N 2.87Å; T300-K303 VanDerWaalsContact O-N 3.09Å; E301-K303 PolarHBondContact O-N 3Å; K303-Y306 VanDerWaalsContact O-O 3.11Å
304	M	83.8	Confident	85.6	Confident	91 Å²	91	69 Å²	69	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-73.6	-35.6	175.7	-69.8	175.5	180	0	0	111.6	V194 L198 T300 E301	V194-M304 HydrophobicContact CG1-CE 3.68Å; V194-M304 HydrophobicContact CG1-CG 4.12Å; L198-M304 HydrophobicContact CD1-CE 3.87Å; L198-M304 HydrophobicContact CD2-CE 3.32Å; L198-M304 HydrophobicContact CG-CE 3.51Å; T300-M304 HydrophobicContact CG2-CE 3.36Å; T300-M304 HydrophobicContact CG2-CG 4.5Å; T300-M304 HydrophobicContact CG2-SD 3.94Å; T300-M304 WeakPolarHBondContact O-CG 3.43Å; T300-M304 PolarHBondContact O-N 2.82Å; E301-M304 PolarHBondContact O-N 3.01Å
305	A	82.3	Confident	86.7	Confident	74 Å²	74	69 Å²	69	61%	0.612	33%	0.331	S	S	*	.	H	α-helix	trans	-72.5	-32.6	176.7	0	0	0	0	0	113.3	E301 S307	E301-A305 VanDerWaalsContact O-CB 3.28Å; E301-A305 WeakPolarHBondContact O-CB 3.45Å; E301-A305 PolarHBondContact O-N 2.79Å; A305-S307 PolarHBondContact O-N 3.31Å
306	Y	83.5	Confident	87.9	Confident	81 Å²	81	66 Å²	66	32%	0.318	32%	0.321	S	S	.	.	S	Bend	trans	-78.4	110.5	172.5	-102	-99	0	0	0	110.5	P224 K302 K303 Q310	P224-Y306 HydrophobicContact CB-CD1 4.27Å; P224-Y306 HydrophobicContact CB-CD2 4.06Å; P224-Y306 HydrophobicContact CB-CE1 3.88Å; P224-Y306 HydrophobicContact CB-CE2 3.67Å; P224-Y306 HydrophobicContact CB-CG 4.34Å; P224-Y306 HydrophobicContact CG-CD1 3.94Å; P224-Y306 HydrophobicContact CG-CE1 3.58Å; P224-Y306 HydrophobicContact CG-CE2 4.32Å; P224-Y306 HydrophobicContact CG-CG 4.43Å; K302-Y306 HydrophobicContact CG-CD2 4.28Å; K302-Y306 WeakPolarHBondContact O-CB 3.47Å; K302-Y306 PolarHBondContact O-N 3.11Å; K303-Y306 VanDerWaalsContact O-O 3.11Å; Y306-Q310 HydrophobicContact CD1-CB 3.99Å; Y306-Q310 HydrophobicContact CE1-CB 4.29Å
307	S	88	Confident	88.9	Confident	46 Å²	46	65 Å²	65	32%	0.322	33%	0.329	S	S	.	.			trans	-66.4	157	168.8	58.2	0	0	0	0	111.2	A305 D309 Q310 L311	A305-S307 PolarHBondContact O-N 3.31Å; S307-D309 PolarHBondContact O-N 3.02Å; S307-Q310 PolarHBondContact O-N 2.93Å; S307-Q310 WeakPolarHBondContact OG-CB 3.34Å; S307-Q310 WeakPolarHBondContact OG-CG 3.33Å; S307-Q310 PolarHBondContact OG-N 2.61Å; S307-Q310 PolarHBondContact OG-OE1 3.01Å; S307-L311 PolarHBondContact O-N 3.11Å
308	V	90.9	Very high	89.7	Confident	11 Å²	11	63 Å²	63	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-55.7	-43	174.1	173.7	0	0	0	0	110.4	Q310 L311 C312 S320 L323	V308-Q310 PolarHBondContact O-N 3Å; V308-L311 PolarHBondContact O-N 2.83Å; V308-C312 WeakPolarHBondContact O-CB 3.36Å; V308-C312 PolarHBondContact O-N 2.83Å; V308-S320 WeakPolarHBondContact CG1-O 3.5Å; V308-L323 HydrophobicContact CB-CB 4.48Å; V308-L323 HydrophobicContact CG1-CB 3.57Å; V308-L323 HydrophobicContact CG1-CD1 4.24Å; V308-L323 HydrophobicContact CG2-CB 4.06Å
309	D	91.9	Very high	90.7	Very high	110 Å²	110	59 Å²	59	59%	0.588	31%	0.305	S	S	*	.	H	α-helix	trans	-65.1	-37.2	-179.9	-55.5	-40.3	0	0	0	112.6	S307 R313	S307-D309 PolarHBondContact O-N 3.02Å; D309-R313 PolarHBondContact O-N 3Å
310	Q	93.9	Very high	91.5	Very high	83 Å²	83	59.4 Å²	59.4	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-39.2	173.9	-77.9	170.2	-8.2	0	0	112.1	Y306 S307 V308 R313	Y306-Q310 HydrophobicContact CD1-CB 3.99Å; Y306-Q310 HydrophobicContact CE1-CB 4.29Å; S307-Q310 PolarHBondContact O-N 2.93Å; S307-Q310 WeakPolarHBondContact OG-CB 3.34Å; S307-Q310 WeakPolarHBondContact OG-CG 3.33Å; S307-Q310 PolarHBondContact OG-N 2.61Å; S307-Q310 PolarHBondContact OG-OE1 3.01Å; V308-Q310 PolarHBondContact O-N 3Å; Q310-R313 WeakPolarHBondContact O-CB 3.22Å
311	L	94.5	Very high	92.2	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-43.9	178.5	-179.6	65.7	0	0	0	111.3	Y213 M216 M220 L223 P224 W225 S307 V308 R313 L323	Y213-L311 HydrophobicContact CD1-CD2 3.92Å; Y213-L311 HydrophobicContact CE1-CD2 4.01Å; M216-L311 HydrophobicContact CB-CD2 4.4Å; M216-L311 HydrophobicContact CB-CG 4.44Å; M216-L311 WeakPolarHBondContact CE-O 3.27Å; M216-L311 HydrophobicContact CG-CD2 4.16Å; M216-L311 HydrophobicContact CG-CG 4.25Å; M220-L311 HydrophobicContact CE-CD1 4.28Å; M220-L311 HydrophobicContact SD-CD1 3.79Å; L223-L311 HydrophobicContact CD2-CD1 4.21Å; P224-L311 HydrophobicContact CG-CD1 3.92Å; W225-L311 HydrophobicContact CH2-CD1 3.99Å; W225-L311 HydrophobicContact CH2-CD2 3.81Å; W225-L311 HydrophobicContact CZ3-CD1 4.04Å; W225-L311 HydrophobicContact CZ3-CD2 4.36Å; S307-L311 PolarHBondContact O-N 3.11Å; V308-L311 PolarHBondContact O-N 2.83Å; L311-R313 VanDerWaalsContact C-N 3.31Å; L311-L323 HydrophobicContact CD2-CD1 3.79Å
312	C	96.4	Very high	93	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.027	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	6.3	-177.7	-63.2	0	0	0	0	113.7	M216 V308 N314 Y315 F319	M216-C312 HydrophobicContact CE-CB 4.5Å; M216-C312 VanDerWaalsContact SD-SG 3.67Å; V308-C312 WeakPolarHBondContact O-CB 3.36Å; V308-C312 PolarHBondContact O-N 2.83Å; C312-N314 PolarHBondContact O-N 2.94Å; C312-Y315 WeakPolarHBondContact O-CB 2.91Å; C312-Y315 PolarHBondContact O-N 3.16Å; C312-F319 HydrophobicContact CB-CB 4.38Å
313	R	94.8	Very high	93.7	Very high	155 Å²	155	53.2 Å²	53.2	59%	0.585	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	133	178.3	-172.2	-178.6	-66.9	180	-3.6	110.5	D309 Q310 L311 Y315	D309-R313 PolarHBondContact O-N 3Å; Q310-R313 WeakPolarHBondContact O-CB 3.22Å; L311-R313 VanDerWaalsContact C-N 3.31Å; R313-Y315 WeakPolarHBondContact O-CD2 3.19Å; R313-Y315 PolarHBondContact O-N 3.46Å
314	N	95.6	Very high	94.1	Very high	153 Å²	153	56 Å²	56	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	11.1	-176.4	-45.8	-43	0	0	0	115.3	C312	C312-N314 PolarHBondContact O-N 2.94Å
315	Y	97.4	Very high	94.8	Very high	68 Å²	68	54.6 Å²	54.6	27%	0.267	29%	0.291	S	S	.	.	S	Bend	trans	-113.8	160.8	168.7	-64.4	-82.8	0	0	0	109.9	M114 M216 N219 M220 C312 R313	M114-Y315 HydrophobicContact CE-CD1 3.99Å; M216-Y315 HydrophobicContact CE-CD2 3.62Å; M216-Y315 HydrophobicContact CE-CE2 4.02Å; M216-Y315 HydrophobicContact CE-CG 4.07Å; N219-Y315 HydrophobicContact CB-CD1 3.94Å; N219-Y315 HydrophobicContact CB-CE1 3.52Å; N219-Y315 PolarHBondContact O-OH 3.26Å; N219-Y315 VanDerWaalsContact O-OH 3.1Å; M220-Y315 HydrophobicContact CG-CE2 3.77Å; C312-Y315 WeakPolarHBondContact O-CB 2.91Å; C312-Y315 PolarHBondContact O-N 3.16Å; R313-Y315 WeakPolarHBondContact O-CD2 3.19Å; R313-Y315 PolarHBondContact O-N 3.46Å
316	P	98.3	Very high	95.5	Very high	32 Å²	32	51.1 Å²	51.1	21%	0.208	26%	0.261	C	S	.	.			trans	-53.6	144.7	177.9	-28.2	36.7	0	0	0	113.3	M114 E318 F319 L347	M114-P316 HydrophobicContact CE-CG 4.22Å; P316-E318 WeakPolarHBondContact CB-OE2 3.35Å; P316-E318 PolarHBondContact O-N 2.83Å; P316-E318 VanDerWaalsContact O-N 3.08Å; P316-F319 HydrophobicContact CB-CD2 4.28Å; P316-F319 HydrophobicContact CB-CE2 4.44Å; P316-F319 HydrophobicContact CG-CE2 4.34Å; P316-F319 WeakPolarHBondContact O-CD2 3.22Å; P316-F319 PolarHBondContact O-N 3.3Å; P316-F319 VanDerWaalsContact O-N 3.14Å; P316-L347 HydrophobicContact CB-CD1 3.69Å; P316-L347 HydrophobicContact CB-CD2 3.51Å; P316-L347 HydrophobicContact CB-CG 4.26Å; P316-L347 HydrophobicContact CG-CD1 3.94Å; P316-L347 HydrophobicContact CG-CD2 3.83Å; P316-L347 HydrophobicContact CG-CG 4.49Å
317	A	97.8	Very high	96	Very high	56 Å²	56	51.2 Å²	51.2	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-23.3	-172.6	0	0	0	0	0	113.1	F319 S320 M321	A317-F319 PolarHBondContact O-N 2.66Å; A317-S320 PolarHBondContact O-N 3.09Å; A317-S320 VanDerWaalsContact O-N 3.1Å; A317-S320 PolarHBondContact O-OG 2.86Å; A317-M321 VanDerWaalsContact O-CG 3.28Å; A317-M321 WeakPolarHBondContact O-CG 3.46Å; A317-M321 PolarHBondContact O-N 3.34Å
318	E	98.4	Very high	96.4	Very high	39 Å²	39	51.9 Å²	51.9	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-32.7	177.4	-66.2	83.2	176.2	0	0	112.4	P316 M321 Y322 L343 F344 L347	P316-E318 WeakPolarHBondContact CB-OE2 3.35Å; P316-E318 PolarHBondContact O-N 2.83Å; P316-E318 VanDerWaalsContact O-N 3.08Å; E318-M321 PolarHBondContact O-N 2.87Å; E318-Y322 VanDerWaalsContact O-CB 3.29Å; E318-Y322 WeakPolarHBondContact O-CB 2.9Å; E318-Y322 PolarHBondContact O-N 2.91Å; E318-L343 HydrophobicContact CB-CB 4.14Å; E318-L343 HydrophobicContact CG-CB 4.31Å; E318-F344 HydrophobicContact CB-CD1 4.45Å; E318-F344 HydrophobicContact CB-CE1 4.45Å; E318-L347 HydrophobicContact CB-CD2 4.15Å; E318-L347 HydrophobicContact CG-CB 4.05Å; E318-L347 HydrophobicContact CG-CD2 4.32Å
319	F	98.4	Very high	96.8	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-68.4	-42.6	175.4	-70.6	-80.5	0	0	0	112	M114 V117 L118 L215 M216 N219 C312 P316 A317 L323 F344 L347	M114-F319 HydrophobicContact CE-CE2 3.86Å; M114-F319 HydrophobicContact CE-CZ 4.27Å; M114-F319 HydrophobicContact SD-CE2 3.55Å; M114-F319 VanDerWaalsContact SD-CE2 3.55Å; M114-F319 HydrophobicContact SD-CZ 3.62Å; V117-F319 HydrophobicContact CG1-CE1 4.16Å; V117-F319 HydrophobicContact CG1-CZ 4.15Å; L118-F319 HydrophobicContact CD2-CZ 4.01Å; L215-F319 HydrophobicContact CB-CD1 4.4Å; L215-F319 HydrophobicContact CB-CE1 4.1Å; M216-F319 HydrophobicContact SD-CB 3.77Å; M216-F319 HydrophobicContact SD-CD1 3.82Å; M216-F319 HydrophobicContact SD-CG 3.89Å; N219-F319 WeakPolarHBondContact ND2-CE1 3.44Å; N219-F319 WeakPolarHBondContact ND2-CZ 3.41Å; C312-F319 HydrophobicContact CB-CB 4.38Å; P316-F319 HydrophobicContact CB-CD2 4.28Å; P316-F319 HydrophobicContact CB-CE2 4.44Å; P316-F319 HydrophobicContact CG-CE2 4.34Å; P316-F319 WeakPolarHBondContact O-CD2 3.22Å; P316-F319 PolarHBondContact O-N 3.3Å; P316-F319 VanDerWaalsContact O-N 3.14Å; A317-F319 PolarHBondContact O-N 2.66Å; F319-L323 PolarHBondContact O-N 2.91Å; F319-L323 VanDerWaalsContact O-N 3.14Å; F319-F344 AromaticContact CD1-CE1 3.71Å; F319-F344 HydrophobicContact CD1-CE1 3.71Å; F319-F344 HydrophobicContact CD1-CZ 4.1Å; F319-F344 HydrophobicContact CE1-CD1 4.42Å; F319-F344 AromaticContact CE1-CE1 3.67Å; F319-F344 HydrophobicContact CE1-CE1 3.67Å; F319-F344 HydrophobicContact CE1-CZ 4.19Å; F319-F344 HydrophobicContact CE2-CE1 4.5Å; F319-F344 HydrophobicContact CG-CE1 4.15Å; F319-F344 HydrophobicContact CZ-CD1 4.47Å; F319-F344 HydrophobicContact CZ-CE1 4.08Å; F319-L347 HydrophobicContact CE2-CD2 4.11Å
320	S	98	Very high	97	Very high	21 Å²	21	53.3 Å²	53.3	15%	0.147	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-41.6	173.7	36.3	0	0	0	0	111.5	V308 A317 Y322 L323 S324	V308-S320 WeakPolarHBondContact CG1-O 3.5Å; A317-S320 PolarHBondContact O-N 3.09Å; A317-S320 VanDerWaalsContact O-N 3.1Å; A317-S320 PolarHBondContact O-OG 2.86Å; S320-Y322 VanDerWaalsContact C-N 3.33Å; S320-Y322 PolarHBondContact O-N 3.28Å; S320-L323 PolarHBondContact O-N 3.33Å; S320-S324 VanDerWaalsContact O-CB 3.28Å; S320-S324 WeakPolarHBondContact O-CB 3.07Å; S320-S324 PolarHBondContact O-N 2.9Å; S320-S324 PolarHBondContact O-OG 3.32Å; S320-S324 VanDerWaalsContact O-OG 3.1Å
321	M	98.3	Very high	97.2	Very high	81 Å²	81	50.4 Å²	50.4	40%	0.399	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-43.6	176.3	-68.2	168.5	74.1	0	0	111.5	A317 E318 Y325 L343	A317-M321 VanDerWaalsContact O-CG 3.28Å; A317-M321 WeakPolarHBondContact O-CG 3.46Å; A317-M321 PolarHBondContact O-N 3.34Å; E318-M321 PolarHBondContact O-N 2.87Å; M321-Y325 WeakPolarHBondContact O-CB 3.27Å; M321-Y325 PolarHBondContact O-N 3.33Å; M321-L343 HydrophobicContact CB-CD1 4.02Å; M321-L343 HydrophobicContact CB-CD2 4.31Å; M321-L343 HydrophobicContact CE-CD2 3.6Å; M321-L343 HydrophobicContact SD-CD2 4.15Å
322	Y	98.7	Very high	97.4	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-52.3	175.8	177.5	-76.4	0	0	0	111.4	I125 M208 G212 E318 S320 Y325 C326 L340 F344	I125-Y322 HydrophobicContact CD1-CE2 3.94Å; I125-Y322 HydrophobicContact CG1-CE2 4.37Å; M208-Y322 HydrophobicContact CE-CE2 4.43Å; M208-Y322 WeakPolarHBondContact CE-OH 3.32Å; M208-Y322 WeakPolarHBondContact O-CE1 3.47Å; M208-Y322 PolarHBondContact O-OH 2.99Å; G212-Y322 VanDerWaalsContact CA-CE1 3.47Å; E318-Y322 VanDerWaalsContact O-CB 3.29Å; E318-Y322 WeakPolarHBondContact O-CB 2.9Å; E318-Y322 PolarHBondContact O-N 2.91Å; S320-Y322 VanDerWaalsContact C-N 3.33Å; S320-Y322 PolarHBondContact O-N 3.28Å; Y322-Y325 PolarHBondContact O-N 3.2Å; Y322-C326 VanDerWaalsContact CE1-SG 3.54Å; Y322-C326 PolarHBondContact O-N 3.49Å; Y322-C326 PolarHBondContact O-SG 3.03Å; Y322-L340 HydrophobicContact CD2-CB 4.08Å; Y322-L340 HydrophobicContact CD2-CD2 3.58Å; Y322-L340 HydrophobicContact CD2-CG 4.26Å; Y322-L340 HydrophobicContact CE2-CB 3.96Å; Y322-L340 HydrophobicContact CE2-CD1 3.99Å; Y322-L340 HydrophobicContact CE2-CD2 3.92Å; Y322-L340 HydrophobicContact CE2-CG 4.18Å; Y322-L340 HydrophobicContact CG-CD2 4.14Å; Y322-F344 HydrophobicContact CD2-CD2 4.47Å; Y322-F344 AromaticContact CD2-CE2 3.39Å; Y322-F344 HydrophobicContact CD2-CE2 3.39Å; Y322-F344 AromaticContact CD2-CZ 3.67Å; Y322-F344 HydrophobicContact CD2-CZ 3.67Å; Y322-F344 AromaticContact CE2-CE2 3.88Å; Y322-F344 HydrophobicContact CE2-CE2 3.88Å; Y322-F344 HydrophobicContact CE2-CZ 4.46Å; Y322-F344 HydrophobicContact CG-CE2 4.06Å; Y322-F344 AromaticContact CG-CZ 3.85Å; Y322-F344 HydrophobicContact CG-CZ 3.85Å
323	L	97.9	Very high	97.4	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-41.8	-175.9	-82.2	171	0	0	0	112.2	Y213 M216 V308 L311 F319 S320 Y325 C326 R327	Y213-L323 HydrophobicContact CD1-CD2 4.29Å; Y213-L323 HydrophobicContact CE1-CD2 4.23Å; M216-L323 HydrophobicContact CG-CD1 4.16Å; V308-L323 HydrophobicContact CB-CB 4.48Å; V308-L323 HydrophobicContact CG1-CB 3.57Å; V308-L323 HydrophobicContact CG1-CD1 4.24Å; V308-L323 HydrophobicContact CG2-CB 4.06Å; L311-L323 HydrophobicContact CD2-CD1 3.79Å; F319-L323 PolarHBondContact O-N 2.91Å; F319-L323 VanDerWaalsContact O-N 3.14Å; S320-L323 PolarHBondContact O-N 3.33Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-C326 PolarHBondContact O-N 3.14Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 3.18Å
324	S	97.1	Very high	97.6	Very high	59 Å²	59	52 Å²	52	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-41.7	175.8	-67.5	0	0	0	0	111.4	S320 R327 G328	S320-S324 VanDerWaalsContact O-CB 3.28Å; S320-S324 WeakPolarHBondContact O-CB 3.07Å; S320-S324 PolarHBondContact O-N 2.9Å; S320-S324 PolarHBondContact O-OG 3.32Å; S320-S324 VanDerWaalsContact O-OG 3.1Å; S324-R327 PolarHBondContact O-N 3.2Å; S324-G328 PolarHBondContact O-N 2.82Å
325	Y	98.4	Very high	97.7	Very high	63 Å²	63	45 Å²	45	25%	0.247	25%	0.247	C	C	.	.	H	α-helix	trans	-58.7	-51.8	172.7	177.9	-88.6	0	0	0	111.4	M321 Y322 L323 R327 G328 L329 D336 Y339 L340	M321-Y325 WeakPolarHBondContact O-CB 3.27Å; M321-Y325 PolarHBondContact O-N 3.33Å; Y322-Y325 PolarHBondContact O-N 3.2Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; Y325-R327 VanDerWaalsContact C-N 3.3Å; Y325-R327 PolarHBondContact O-N 3.35Å; Y325-G328 PolarHBondContact O-N 3.28Å; Y325-L329 HydrophobicContact CD1-CD1 4.37Å; Y325-L329 HydrophobicContact CD1-CG 4.43Å; Y325-L329 HydrophobicContact CE1-CD1 3.98Å; Y325-L329 HydrophobicContact CE1-CD2 3.88Å; Y325-L329 HydrophobicContact CE1-CG 4.08Å; Y325-L329 PolarHBondContact O-N 2.93Å; Y325-D336 VanDerWaalsContact OH-CB 3.23Å; Y325-D336 WeakPolarHBondContact OH-CB 3.34Å; Y325-D336 PolarHBondContact OH-N 3.44Å; Y325-Y339 AromaticContact CD2-CD1 3.93Å; Y325-Y339 HydrophobicContact CD2-CD1 3.93Å; Y325-Y339 AromaticContact CD2-CE1 3.65Å; Y325-Y339 HydrophobicContact CD2-CE1 3.65Å; Y325-Y339 HydrophobicContact CE2-CD1 4.04Å; Y325-Y339 HydrophobicContact CE2-CE1 4.2Å; Y325-Y339 HydrophobicContact CG-CD1 4.23Å; Y325-Y339 AromaticContact CG-CE1 3.89Å; Y325-Y339 HydrophobicContact CG-CE1 3.89Å; Y325-L340 HydrophobicContact CD1-CD1 4.16Å; Y325-L340 HydrophobicContact CD1-CD2 3.53Å; Y325-L340 HydrophobicContact CD1-CG 4.05Å; Y325-L340 HydrophobicContact CE1-CD1 4.13Å; Y325-L340 HydrophobicContact CE1-CD2 4.11Å; Y325-L340 HydrophobicContact CE1-CG 4.13Å; Y325-L340 HydrophobicContact CG-CD2 4.06Å
326	C	98.1	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-39.5	-178.4	-63.8	0	0	0	0	112.5	M208 E209 Y322 L323 G328 L329	M208-C326 HydrophobicContact CB-CB 4.45Å; E209-C326 HydrophobicContact CB-CB 4.18Å; Y322-C326 VanDerWaalsContact CE1-SG 3.54Å; Y322-C326 PolarHBondContact O-N 3.49Å; Y322-C326 PolarHBondContact O-SG 3.03Å; L323-C326 PolarHBondContact O-N 3.14Å; C326-G328 VanDerWaalsContact C-N 3.32Å; C326-L329 PolarHBondContact O-N 2.8Å
327	R	94.2	Very high	97.8	Very high	83 Å²	83	45 Å²	45	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-69.6	-27.9	176.9	-75.7	-175.4	174.1	-174.4	0.9	113.2	E209 Y213 L323 S324 Y325 L329	E209-R327 HydrophobicContact CG-CG 4.42Å; E209-R327 IonicContact OE1-NE 3.78Å; Y213-R327 PolarHBondContact OH-NH2 3.13Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 3.18Å; S324-R327 PolarHBondContact O-N 3.2Å; Y325-R327 VanDerWaalsContact C-N 3.3Å; Y325-R327 PolarHBondContact O-N 3.35Å; R327-L329 VanDerWaalsContact C-N 3.34Å
328	G	95.7	Very high	97.8	Very high	61 Å²	61	47.1 Å²	47.1	63%	0.629	25%	0.25	S	S	*	.	H	α-helix	trans	-79.4	-11.8	178.1	0	0	0	0	0	114.8	S324 Y325 C326	S324-G328 PolarHBondContact O-N 2.82Å; Y325-G328 PolarHBondContact O-N 3.28Å; C326-G328 VanDerWaalsContact C-N 3.32Å
329	L	98.3	Very high	97.8	Very high	6 Å²	6	49 Å²	49	3%	0.031	26%	0.256	C	S	.	.			trans	-67.2	135.9	-179.6	-71.4	170.2	0	0	0	112.2	R205 Y325 C326 R327 E333 P335	R205-L329 HydrophobicContact CB-CB 3.7Å; R205-L329 HydrophobicContact CB-CD1 3.8Å; R205-L329 HydrophobicContact CB-CG 4.42Å; R205-L329 VanDerWaalsContact CD-O 3.22Å; R205-L329 WeakPolarHBondContact CD-O 3.14Å; R205-L329 PolarHBondContact NH1-O 3.49Å; Y325-L329 HydrophobicContact CD1-CD1 4.37Å; Y325-L329 HydrophobicContact CD1-CG 4.43Å; Y325-L329 HydrophobicContact CE1-CD1 3.98Å; Y325-L329 HydrophobicContact CE1-CD2 3.88Å; Y325-L329 HydrophobicContact CE1-CG 4.08Å; Y325-L329 PolarHBondContact O-N 2.93Å; C326-L329 PolarHBondContact O-N 2.8Å; R327-L329 VanDerWaalsContact C-N 3.34Å; L329-E333 HydrophobicContact CD2-CB 4.3Å; L329-E333 HydrophobicContact CD2-CG 3.76Å; L329-P335 HydrophobicContact CD1-CB 3.98Å; L329-P335 HydrophobicContact CD1-CG 3.89Å
330	R	98	Very high	97.9	Very high	145 Å²	145	48.7 Å²	48.7	55%	0.547	26%	0.255	S	S	.	.			trans	-66.8	160.3	168.1	-55.9	-177.7	-58.2	-68.6	-2.7	110.3	D332 E333	R330-D332 VanDerWaalsContact C-N 3.3Å; R330-D332 PolarHBondContact O-N 3.12Å; R330-E333 HydrophobicContact CB-CB 4Å; R330-E333 IonicContact CZ-OE1 3.97Å; R330-E333 IonicContact CZ-OE2 3.14Å; R330-E333 PolarHBondContact N-OE2 3.27Å; R330-E333 IonicContact NH1-OE1 3.03Å; R330-E333 PolarHBondContact NH1-OE1 3.25Å; R330-E333 IonicContact NH1-OE2 2.64Å; R330-E333 PolarHBondContact NH1-OE2 3.21Å; R330-E333 IonicContact NH2-OE1 2.72Å; R330-E333 PolarHBondContact NH2-OE1 3.18Å; R330-E333 IonicContact NH2-OE2 3.85Å; R330-E333 WeakPolarHBondContact O-CB 3.4Å; R330-E333 PolarHBondContact O-N 2.82Å
331	F	97.9	Very high	97.9	Very high	21 Å²	21	49.8 Å²	49.8	9%	0.092	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.5	-175.7	169.8	-108.1	0	0	0	113.8	H176 I177 Y179 E201 S203	H176-F331 AromaticContact CE1-CD1 3.94Å; H176-F331 AromaticContact CE1-CE1 3.53Å; H176-F331 AromaticContact CE1-CZ 3.69Å; H176-F331 PolarHBondContact CE1-O 3.28Å; H176-F331 AromaticContact ND1-CE1 3.53Å; I177-F331 HydrophobicContact CD1-CZ 4.32Å; I177-F331 HydrophobicContact CG1-CZ 4.03Å; I177-F331 VanDerWaalsContact O-CE1 3.25Å; I177-F331 WeakPolarHBondContact O-CE1 3.49Å; Y179-F331 VanDerWaalsContact CA-CE1 3.48Å; Y179-F331 HydrophobicContact CD2-CB 4.1Å; Y179-F331 HydrophobicContact CD2-CD1 4.09Å; Y179-F331 HydrophobicContact CD2-CD2 4.16Å; Y179-F331 AromaticContact CD2-CG 3.85Å; Y179-F331 HydrophobicContact CD2-CG 3.85Å; Y179-F331 VanDerWaalsContact N-CE1 3.35Å; E201-F331 HydrophobicContact CB-CE2 4.08Å; E201-F331 HydrophobicContact CB-CZ 4.18Å; E201-F331 HydrophobicContact CG-CE2 4.23Å; E201-F331 HydrophobicContact CG-CZ 4.06Å; E201-F331 WeakPolarHBondContact O-CE2 3.27Å; S203-F331 WeakPolarHBondContact CB-O 3.39Å; S203-F331 PolarHBondContact OG-O 3.09Å
332	D	97.2	Very high	97.9	Very high	91 Å²	91	49.3 Å²	49.3	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.2	-178.5	64.2	-29.8	0	0	0	113.6	H176 R204 R330	H176-D332 HydrophobicContact CB-CB 4.17Å; R204-D332 PolarHBondContact NH2-O 2.87Å; R330-D332 VanDerWaalsContact C-N 3.3Å; R330-D332 PolarHBondContact O-N 3.12Å
333	E	97.9	Very high	97.9	Very high	51 Å²	51	49.9 Å²	49.9	24%	0.238	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.3	-176.4	-171.8	161.6	-146.6	0	0	112.1	R204 L329 R330 P335	R204-E333 VanDerWaalsContact NH2-C 3.31Å; R204-E333 PolarHBondContact NH2-O 3.47Å; R204-E333 VanDerWaalsContact NH2-O 3.12Å; L329-E333 HydrophobicContact CD2-CB 4.3Å; L329-E333 HydrophobicContact CD2-CG 3.76Å; R330-E333 HydrophobicContact CB-CB 4Å; R330-E333 IonicContact CZ-OE1 3.97Å; R330-E333 IonicContact CZ-OE2 3.14Å; R330-E333 PolarHBondContact N-OE2 3.27Å; R330-E333 IonicContact NH1-OE1 3.03Å; R330-E333 PolarHBondContact NH1-OE1 3.25Å; R330-E333 IonicContact NH1-OE2 2.64Å; R330-E333 PolarHBondContact NH1-OE2 3.21Å; R330-E333 IonicContact NH2-OE1 2.72Å; R330-E333 PolarHBondContact NH2-OE1 3.18Å; R330-E333 IonicContact NH2-OE2 3.85Å; R330-E333 WeakPolarHBondContact O-CB 3.4Å; R330-E333 PolarHBondContact O-N 2.82Å; E333-P335 WeakPolarHBondContact O-CD 3.37Å
334	A	97.9	Very high	97.9	Very high	56 Å²	56	50 Å²	50	46%	0.463	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-85.8	122.3	172	0	0	0	0	0	108.8	D336	A334-D336 PolarHBondContact O-N 2.9Å
335	P	98.5	Very high	98	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.032	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-56.5	139	169.1	-19.3	27.4	0	0	0	110.9	R204 M208 L329 E333 Y337 L340	R204-P335 HydrophobicContact CB-CG 3.97Å; M208-P335 HydrophobicContact CG-CB 4.12Å; M208-P335 HydrophobicContact CG-CG 3.86Å; L329-P335 HydrophobicContact CD1-CB 3.98Å; L329-P335 HydrophobicContact CD1-CG 3.89Å; E333-P335 WeakPolarHBondContact O-CD 3.37Å; P335-Y337 VanDerWaalsContact C-N 3.31Å; P335-Y337 HydrophobicContact CB-CD1 4.29Å; P335-Y337 HydrophobicContact CB-CE1 3.91Å; P335-Y337 HydrophobicContact CB-CE2 4.31Å; P335-Y337 WeakPolarHBondContact CD-OH 3.47Å; P335-Y337 HydrophobicContact CG-CE1 4.04Å; P335-Y337 WeakPolarHBondContact O-CD2 3.09Å; P335-Y337 WeakPolarHBondContact O-CE2 3.24Å; P335-Y337 PolarHBondContact O-N 2.84Å; P335-L340 HydrophobicContact CB-CD1 4.45Å
336	D	98.5	Very high	97.9	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	26%	0.26	S	S	.	.			trans	-78.2	84.3	166.1	-173.1	-16.8	0	0	0	108.8	Y325 A334 M338 Y339 L340	Y325-D336 VanDerWaalsContact OH-CB 3.23Å; Y325-D336 WeakPolarHBondContact OH-CB 3.34Å; Y325-D336 PolarHBondContact OH-N 3.44Å; A334-D336 PolarHBondContact O-N 2.9Å; D336-M338 PolarHBondContact O-N 3.29Å; D336-M338 PolarHBondContact OD1-N 3Å; D336-M338 VanDerWaalsContact OD1-N 3.16Å; D336-Y339 PolarHBondContact O-N 3.42Å; D336-Y339 PolarHBondContact OD1-N 2.84Å; D336-Y339 WeakPolarHBondContact OD2-CB 3.45Å; D336-L340 WeakPolarHBondContact O-CG 3.44Å; D336-L340 PolarHBondContact O-N 3.41Å
337	Y	98.7	Very high	97.9	Very high	20 Å²	20	52.5 Å²	52.5	8%	0.078	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-31.2	179.8	-52.7	-83.4	0	0	0	112	I125 E129 H132 M208 P335 L340 R341	I125-Y337 HydrophobicContact CG2-CD1 4.21Å; E129-Y337 HydrophobicContact CB-CD1 3.7Å; E129-Y337 HydrophobicContact CB-CD2 4.24Å; E129-Y337 HydrophobicContact CB-CE1 4.09Å; E129-Y337 HydrophobicContact CB-CG 3.79Å; E129-Y337 HydrophobicContact CG-CD1 4.08Å; E129-Y337 HydrophobicContact CG-CD2 3.67Å; E129-Y337 HydrophobicContact CG-CE1 4.5Å; E129-Y337 HydrophobicContact CG-CE2 4.14Å; E129-Y337 HydrophobicContact CG-CG 3.66Å; H132-Y337 WeakPolarHBondContact CB-OH 3.49Å; H132-Y337 AromaticContact ND1-CE1 3.58Å; H132-Y337 AromaticContact ND1-CZ 3.52Å; H132-Y337 PolarHBondContact ND1-OH 3.18Å; M208-Y337 HydrophobicContact CE-CD1 4.02Å; M208-Y337 HydrophobicContact CE-CE1 4.29Å; M208-Y337 HydrophobicContact CG-CE1 4.39Å; M208-Y337 HydrophobicContact SD-CD1 4.17Å; M208-Y337 HydrophobicContact SD-CE1 3.85Å; P335-Y337 VanDerWaalsContact C-N 3.31Å; P335-Y337 HydrophobicContact CB-CD1 4.29Å; P335-Y337 HydrophobicContact CB-CE1 3.91Å; P335-Y337 HydrophobicContact CB-CE2 4.31Å; P335-Y337 WeakPolarHBondContact CD-OH 3.47Å; P335-Y337 HydrophobicContact CG-CE1 4.04Å; P335-Y337 WeakPolarHBondContact O-CD2 3.09Å; P335-Y337 WeakPolarHBondContact O-CE2 3.24Å; P335-Y337 PolarHBondContact O-N 2.84Å; Y337-L340 PolarHBondContact O-N 2.87Å; Y337-R341 WeakPolarHBondContact O-CB 3.16Å; Y337-R341 VanDerWaalsContact O-CG 3.25Å; Y337-R341 WeakPolarHBondContact O-CG 3.37Å; Y337-R341 PolarHBondContact O-N 2.87Å
338	M	98.4	Very high	98.1	Very high	101 Å²	101	49.2 Å²	49.2	50%	0.498	25%	0.251	S	S	.	.	H	α-helix	trans	-68.7	-48	179.3	-172.5	60.6	78.6	0	0	110	D336 L340 R341 Q342	D336-M338 PolarHBondContact O-N 3.29Å; D336-M338 PolarHBondContact OD1-N 3Å; D336-M338 VanDerWaalsContact OD1-N 3.16Å; M338-L340 VanDerWaalsContact C-N 3.35Å; M338-L340 PolarHBondContact O-N 3.18Å; M338-R341 PolarHBondContact O-N 3.28Å; M338-Q342 HydrophobicContact CG-CG 4.28Å; M338-Q342 WeakPolarHBondContact O-CB 3.2Å; M338-Q342 WeakPolarHBondContact O-CG 3.3Å; M338-Q342 PolarHBondContact O-N 3.37Å; M338-Q342 HydrophobicContact SD-CG 4.32Å
339	Y	98.6	Very high	98.2	Very high	77 Å²	77	55.2 Å²	55.2	30%	0.302	25%	0.254	S	S	.	.	H	α-helix	trans	-54.3	-50.7	172.5	167.6	-108.1	0	0	0	111.6	Y325 D336 R341 Q342 L343	Y325-Y339 AromaticContact CD2-CD1 3.93Å; Y325-Y339 HydrophobicContact CD2-CD1 3.93Å; Y325-Y339 AromaticContact CD2-CE1 3.65Å; Y325-Y339 HydrophobicContact CD2-CE1 3.65Å; Y325-Y339 HydrophobicContact CE2-CD1 4.04Å; Y325-Y339 HydrophobicContact CE2-CE1 4.2Å; Y325-Y339 HydrophobicContact CG-CD1 4.23Å; Y325-Y339 AromaticContact CG-CE1 3.89Å; Y325-Y339 HydrophobicContact CG-CE1 3.89Å; D336-Y339 PolarHBondContact O-N 3.42Å; D336-Y339 PolarHBondContact OD1-N 2.84Å; D336-Y339 WeakPolarHBondContact OD2-CB 3.45Å; Y339-R341 VanDerWaalsContact C-N 3.31Å; Y339-R341 PolarHBondContact O-N 3.39Å; Y339-Q342 PolarHBondContact O-N 2.75Å; Y339-L343 HydrophobicContact CE1-CD1 3.9Å; Y339-L343 HydrophobicContact CE1-CG 4.36Å; Y339-L343 HydrophobicContact CE2-CD2 3.82Å; Y339-L343 HydrophobicContact CE2-CG 4.15Å; Y339-L343 PolarHBondContact O-N 3.05Å
340	L	98.7	Very high	98.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-39.3	-179.6	-68.6	180	0	0	0	112.8	I125 M208 Y322 Y325 P335 D336 Y337 M338 L343	I125-L340 HydrophobicContact CD1-CB 4.3Å; M208-L340 HydrophobicContact CE-CD1 3.58Å; Y322-L340 HydrophobicContact CD2-CB 4.08Å; Y322-L340 HydrophobicContact CD2-CD2 3.58Å; Y322-L340 HydrophobicContact CD2-CG 4.26Å; Y322-L340 HydrophobicContact CE2-CB 3.96Å; Y322-L340 HydrophobicContact CE2-CD1 3.99Å; Y322-L340 HydrophobicContact CE2-CD2 3.92Å; Y322-L340 HydrophobicContact CE2-CG 4.18Å; Y322-L340 HydrophobicContact CG-CD2 4.14Å; Y325-L340 HydrophobicContact CD1-CD1 4.16Å; Y325-L340 HydrophobicContact CD1-CD2 3.53Å; Y325-L340 HydrophobicContact CD1-CG 4.05Å; Y325-L340 HydrophobicContact CE1-CD1 4.13Å; Y325-L340 HydrophobicContact CE1-CD2 4.11Å; Y325-L340 HydrophobicContact CE1-CG 4.13Å; Y325-L340 HydrophobicContact CG-CD2 4.06Å; P335-L340 HydrophobicContact CB-CD1 4.45Å; D336-L340 WeakPolarHBondContact O-CG 3.44Å; D336-L340 PolarHBondContact O-N 3.41Å; Y337-L340 PolarHBondContact O-N 2.87Å; M338-L340 VanDerWaalsContact C-N 3.35Å; M338-L340 PolarHBondContact O-N 3.18Å; L340-L343 HydrophobicContact CD2-CD1 4.36Å
341	R	98.5	Very high	98.2	Very high	44 Å²	44	55.6 Å²	55.6	17%	0.166	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-38.3	173.2	-71.1	176.7	74.1	-175	16.7	112	D122 I125 Y337 M338 Y339 L343 F344 R345	D122-R341 VanDerWaalsContact CG-NH2 3.29Å; D122-R341 IonicContact OD1-CZ 3.35Å; D122-R341 IonicContact OD1-NE 3.48Å; D122-R341 PolarHBondContact OD1-NE 3Å; D122-R341 IonicContact OD1-NH2 2.87Å; D122-R341 PolarHBondContact OD1-NH2 3.13Å; D122-R341 IonicContact OD2-CZ 3.49Å; D122-R341 IonicContact OD2-NE 2.87Å; D122-R341 IonicContact OD2-NH2 3.91Å; D122-R341 PolarHBondContact OD2-NH2 3.06Å; I125-R341 HydrophobicContact CB-CG 3.83Å; I125-R341 HydrophobicContact CD1-CG 3.94Å; I125-R341 HydrophobicContact CG2-CG 3.56Å; Y337-R341 WeakPolarHBondContact O-CB 3.16Å; Y337-R341 VanDerWaalsContact O-CG 3.25Å; Y337-R341 WeakPolarHBondContact O-CG 3.37Å; Y337-R341 PolarHBondContact O-N 2.87Å; M338-R341 PolarHBondContact O-N 3.28Å; Y339-R341 VanDerWaalsContact C-N 3.31Å; Y339-R341 PolarHBondContact O-N 3.39Å; R341-L343 VanDerWaalsContact C-N 3.32Å; R341-L343 PolarHBondContact O-N 3.24Å; R341-F344 PolarHBondContact O-N 3.42Å; R341-R345 WeakPolarHBondContact O-CB 3.3Å; R341-R345 VanDerWaalsContact O-CG 3.25Å; R341-R345 WeakPolarHBondContact O-CG 3.26Å; R341-R345 PolarHBondContact O-N 3.25Å
342	Q	98.3	Very high	98.1	Very high	70 Å²	70	62.6 Å²	62.6	33%	0.327	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-34.5	-178.7	-71.9	-69.1	36.1	0	0	112.4	M338 Y339 F344 R345 I346	M338-Q342 HydrophobicContact CG-CG 4.28Å; M338-Q342 WeakPolarHBondContact O-CB 3.2Å; M338-Q342 WeakPolarHBondContact O-CG 3.3Å; M338-Q342 PolarHBondContact O-N 3.37Å; M338-Q342 HydrophobicContact SD-CG 4.32Å; Y339-Q342 PolarHBondContact O-N 2.75Å; Q342-F344 VanDerWaalsContact C-N 3.33Å; Q342-F344 PolarHBondContact O-N 3.33Å; Q342-R345 PolarHBondContact O-N 3.49Å; Q342-I346 HydrophobicContact CB-CD1 4.41Å; Q342-I346 VanDerWaalsContact O-CB 3.31Å; Q342-I346 WeakPolarHBondContact O-CB 3.48Å; Q342-I346 WeakPolarHBondContact O-CD1 3.35Å; Q342-I346 WeakPolarHBondContact O-CG1 3.29Å; Q342-I346 PolarHBondContact O-N 3.42Å
343	L	98.6	Very high	98.2	Very high	13 Å²	13	61.7 Å²	61.7	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-49.3	-55.6	170	-67.7	178.2	0	0	0	110.9	E318 M321 Y339 L340 R341 L347	E318-L343 HydrophobicContact CB-CB 4.14Å; E318-L343 HydrophobicContact CG-CB 4.31Å; M321-L343 HydrophobicContact CB-CD1 4.02Å; M321-L343 HydrophobicContact CB-CD2 4.31Å; M321-L343 HydrophobicContact CE-CD2 3.6Å; M321-L343 HydrophobicContact SD-CD2 4.15Å; Y339-L343 HydrophobicContact CE1-CD1 3.9Å; Y339-L343 HydrophobicContact CE1-CG 4.36Å; Y339-L343 HydrophobicContact CE2-CD2 3.82Å; Y339-L343 HydrophobicContact CE2-CG 4.15Å; Y339-L343 PolarHBondContact O-N 3.05Å; L340-L343 HydrophobicContact CD2-CD1 4.36Å; R341-L343 VanDerWaalsContact C-N 3.32Å; R341-L343 PolarHBondContact O-N 3.24Å; L343-L347 WeakPolarHBondContact O-CB 3.37Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.12Å
344	F	98.6	Very high	98	Very high	3 Å²	3	66.2 Å²	66.2	1%	0.013	31%	0.313	C	S	.	.	H	α-helix	trans	-74	-31.4	-177.5	-60.7	-48.7	0	0	0	113.9	L118 A121 I125 L215 E318 F319 Y322 R341 Q342 F348	L118-F344 HydrophobicContact CD2-CB 3.79Å; L118-F344 HydrophobicContact CD2-CD1 3.52Å; L118-F344 HydrophobicContact CD2-CE1 4.45Å; L118-F344 HydrophobicContact CD2-CG 3.95Å; A121-F344 HydrophobicContact CB-CD2 3.66Å; A121-F344 HydrophobicContact CB-CE2 4.06Å; A121-F344 HydrophobicContact CB-CG 4.12Å; I125-F344 HydrophobicContact CD1-CD2 3.94Å; I125-F344 HydrophobicContact CD1-CE2 4.07Å; L215-F344 HydrophobicContact CD1-CE2 3.59Å; L215-F344 HydrophobicContact CD1-CZ 3.62Å; E318-F344 HydrophobicContact CB-CD1 4.45Å; E318-F344 HydrophobicContact CB-CE1 4.45Å; F319-F344 AromaticContact CD1-CE1 3.71Å; F319-F344 HydrophobicContact CD1-CE1 3.71Å; F319-F344 HydrophobicContact CD1-CZ 4.1Å; F319-F344 HydrophobicContact CE1-CD1 4.42Å; F319-F344 AromaticContact CE1-CE1 3.67Å; F319-F344 HydrophobicContact CE1-CE1 3.67Å; F319-F344 HydrophobicContact CE1-CZ 4.19Å; F319-F344 HydrophobicContact CE2-CE1 4.5Å; F319-F344 HydrophobicContact CG-CE1 4.15Å; F319-F344 HydrophobicContact CZ-CD1 4.47Å; F319-F344 HydrophobicContact CZ-CE1 4.08Å; Y322-F344 HydrophobicContact CD2-CD2 4.47Å; Y322-F344 AromaticContact CD2-CE2 3.39Å; Y322-F344 HydrophobicContact CD2-CE2 3.39Å; Y322-F344 AromaticContact CD2-CZ 3.67Å; Y322-F344 HydrophobicContact CD2-CZ 3.67Å; Y322-F344 AromaticContact CE2-CE2 3.88Å; Y322-F344 HydrophobicContact CE2-CE2 3.88Å; Y322-F344 HydrophobicContact CE2-CZ 4.46Å; Y322-F344 HydrophobicContact CG-CE2 4.06Å; Y322-F344 AromaticContact CG-CZ 3.85Å; Y322-F344 HydrophobicContact CG-CZ 3.85Å; R341-F344 PolarHBondContact O-N 3.42Å; Q342-F344 VanDerWaalsContact C-N 3.33Å; Q342-F344 PolarHBondContact O-N 3.33Å; F344-F348 VanDerWaalsContact O-CB 3.25Å; F344-F348 WeakPolarHBondContact O-CB 3.47Å; F344-F348 PolarHBondContact O-N 3.32Å
345	R	98.1	Very high	97.7	Very high	75 Å²	75	67.6 Å²	67.6	28%	0.283	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-40.7	175.9	-71.9	166.6	171.4	-160.2	-14.6	112.7	D122 R341 Q342 F348 R349	D122-R345 IonicContact OD1-CZ 3.34Å; D122-R345 IonicContact OD1-NE 2.76Å; D122-R345 PolarHBondContact OD1-NE 3.22Å; D122-R345 IonicContact OD1-NH2 3.47Å; D122-R345 PolarHBondContact OD1-NH2 3.49Å; D122-R345 IonicContact OD2-NH2 3.01Å; R341-R345 WeakPolarHBondContact O-CB 3.3Å; R341-R345 VanDerWaalsContact O-CG 3.25Å; R341-R345 WeakPolarHBondContact O-CG 3.26Å; R341-R345 PolarHBondContact O-N 3.25Å; Q342-R345 PolarHBondContact O-N 3.49Å; R345-F348 PolarHBondContact O-N 2.9Å; R345-R349 WeakPolarHBondContact O-CG 3.31Å; R345-R349 PolarHBondContact O-N 3.46Å; R345-R349 VanDerWaalsContact O-N 3.11Å
346	I	98	Very high	97.4	Very high	92 Å²	92	70.6 Å²	70.6	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-46.7	175.8	-69.3	166.8	0	0	0	109.2	Q342 F348 R349 T350	Q342-I346 HydrophobicContact CB-CD1 4.41Å; Q342-I346 VanDerWaalsContact O-CB 3.31Å; Q342-I346 WeakPolarHBondContact O-CB 3.48Å; Q342-I346 WeakPolarHBondContact O-CD1 3.35Å; Q342-I346 WeakPolarHBondContact O-CG1 3.29Å; Q342-I346 PolarHBondContact O-N 3.42Å; I346-F348 VanDerWaalsContact C-N 3.33Å; I346-F348 PolarHBondContact O-N 3.33Å; I346-R349 PolarHBondContact O-N 2.86Å; I346-T350 WeakPolarHBondContact O-CB 3.43Å; I346-T350 PolarHBondContact O-N 2.87Å; I346-T350 PolarHBondContact O-OG1 2.91Å
347	L	98.3	Very high	97	Very high	8 Å²	8	72.3 Å²	72.3	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-44.9	174.8	178.2	59.6	0	0	0	111.9	L118 P316 E318 F319 L343 R349 T350 M351	L118-L347 HydrophobicContact CD1-CD2 4.07Å; L118-L347 HydrophobicContact CD1-CG 3.96Å; L118-L347 HydrophobicContact CD2-CD2 3.78Å; L118-L347 HydrophobicContact CD2-CG 4.42Å; P316-L347 HydrophobicContact CB-CD1 3.69Å; P316-L347 HydrophobicContact CB-CD2 3.51Å; P316-L347 HydrophobicContact CB-CG 4.26Å; P316-L347 HydrophobicContact CG-CD1 3.94Å; P316-L347 HydrophobicContact CG-CD2 3.83Å; P316-L347 HydrophobicContact CG-CG 4.49Å; E318-L347 HydrophobicContact CB-CD2 4.15Å; E318-L347 HydrophobicContact CG-CB 4.05Å; E318-L347 HydrophobicContact CG-CD2 4.32Å; F319-L347 HydrophobicContact CE2-CD2 4.11Å; L343-L347 WeakPolarHBondContact O-CB 3.37Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.12Å; L347-R349 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 3.27Å; L347-T350 PolarHBondContact O-N 3.19Å; L347-M351 HydrophobicContact CD1-CG 3.91Å; L347-M351 HydrophobicContact CD1-SD 3.86Å; L347-M351 HydrophobicContact CG-CG 4.46Å; L347-M351 HydrophobicContact CG-SD 4.14Å; L347-M351 WeakPolarHBondContact O-CG 3.38Å; L347-M351 PolarHBondContact O-N 3.4Å
348	F	98.3	Very high	96.7	Very high	15 Å²	15	73.7 Å²	73.7	7%	0.066	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-42.8	178	-168.4	-91	0	0	0	112.4	K115 L118 M119 F344 R345 I346 H352 Y353 Q354 Y355	K115-F348 HydrophobicContact CG-CE2 3.83Å; K115-F348 HydrophobicContact CG-CZ 4.2Å; L118-F348 HydrophobicContact CB-CD2 3.74Å; L118-F348 HydrophobicContact CB-CE2 4.49Å; L118-F348 HydrophobicContact CD1-CB 4.18Å; L118-F348 HydrophobicContact CD1-CD2 4.09Å; M119-F348 HydrophobicContact CG-CE2 3.58Å; M119-F348 HydrophobicContact CG-CZ 3.94Å; M119-F348 HydrophobicContact SD-CE2 4.46Å; M119-F348 HydrophobicContact SD-CZ 4.35Å; F344-F348 VanDerWaalsContact O-CB 3.25Å; F344-F348 WeakPolarHBondContact O-CB 3.47Å; F344-F348 PolarHBondContact O-N 3.32Å; R345-F348 PolarHBondContact O-N 2.9Å; I346-F348 VanDerWaalsContact C-N 3.33Å; I346-F348 PolarHBondContact O-N 3.33Å; F348-H352 PolarHBondContact O-N 3.3Å; F348-Y353 WeakPolarHBondContact CD1-O 3.15Å; F348-Y353 AromaticContact CD2-CD2 3.88Å; F348-Y353 HydrophobicContact CD2-CD2 3.88Å; F348-Y353 HydrophobicContact CD2-CG 4.33Å; F348-Y353 VanDerWaalsContact CE1-C 3.41Å; F348-Y353 WeakPolarHBondContact CE1-O 3.48Å; F348-Y353 HydrophobicContact CE2-CD2 4.1Å; F348-Y353 HydrophobicContact CE2-CG 4.22Å; F348-Y353 HydrophobicContact CG-CD2 4.38Å; F348-Y353 HydrophobicContact CZ-CG 4.49Å; F348-Y353 PolarHBondContact O-N 3.02Å; F348-Q354 WeakPolarHBondContact CZ-O 3.31Å; F348-Y355 HydrophobicContact CE1-CD2 4.09Å; F348-Y355 HydrophobicContact CZ-CD2 4.04Å
349	R	97.5	Very high	96.6	Very high	186 Å²	186	69 Å²	69	70%	0.702	31%	0.312	S	S	*	.	H	α-helix	trans	-70.7	-40.4	176.1	-69.6	175.6	-178.1	178	-0.2	112.4	R345 I346 L347 M351 H352	R345-R349 WeakPolarHBondContact O-CG 3.31Å; R345-R349 PolarHBondContact O-N 3.46Å; R345-R349 VanDerWaalsContact O-N 3.11Å; I346-R349 PolarHBondContact O-N 2.86Å; L347-R349 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 3.27Å; R349-M351 VanDerWaalsContact C-N 3.26Å; R349-M351 PolarHBondContact O-N 3.45Å; R349-H352 WeakPolarHBondContact O-CA 3.42Å; R349-H352 PolarHBondContact O-N 3.39Å
350	T	97.7	Very high	96.4	Very high	90 Å²	90	67 Å²	67	55%	0.552	31%	0.306	S	S	*	.	H	α-helix	trans	-63.5	-35	178.5	-56.8	0	0	0	0	111.4	I346 L347 H352	I346-T350 WeakPolarHBondContact O-CB 3.43Å; I346-T350 PolarHBondContact O-N 2.87Å; I346-T350 PolarHBondContact O-OG1 2.91Å; L347-T350 PolarHBondContact O-N 3.19Å; T350-H352 PolarHBondContact O-CD2 2.89Å; T350-H352 PolarHBondContact O-N 3.23Å
351	M	97.6	Very high	96.2	Very high	70 Å²	70	67.7 Å²	67.7	35%	0.345	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	6.8	173	-62.5	-172.3	79.8	0	0	113.5	M114 L118 L347 R349 Y353	M114-M351 HydrophobicContact CB-CE 4.36Å; M114-M351 HydrophobicContact CG-CE 4Å; M114-M351 HydrophobicContact CG-SD 3.62Å; L118-M351 HydrophobicContact CD1-SD 4.49Å; L347-M351 HydrophobicContact CD1-CG 3.91Å; L347-M351 HydrophobicContact CD1-SD 3.86Å; L347-M351 HydrophobicContact CG-CG 4.46Å; L347-M351 HydrophobicContact CG-SD 4.14Å; L347-M351 WeakPolarHBondContact O-CG 3.38Å; L347-M351 PolarHBondContact O-N 3.4Å; R349-M351 VanDerWaalsContact C-N 3.26Å; R349-M351 PolarHBondContact O-N 3.45Å; M351-Y353 HydrophobicContact CB-CD2 3.77Å; M351-Y353 HydrophobicContact CB-CE1 4.43Å; M351-Y353 HydrophobicContact CB-CE2 3.58Å; M351-Y353 HydrophobicContact CB-CG 4.29Å; M351-Y353 HydrophobicContact CE-CE2 3.96Å; M351-Y353 WeakPolarHBondContact CE-OH 3.5Å; M351-Y353 HydrophobicContact CG-CE2 4.24Å; M351-Y353 PolarHBondContact O-N 2.95Å; M351-Y353 HydrophobicContact SD-CE2 3.67Å
352	H	97	Very high	95.8	Very high	168 Å²	168	68.2 Å²	68.2	78%	0.778	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	30.2	179.5	-53.2	-70.7	0	0	0	114.4	F348 R349 T350	F348-H352 PolarHBondContact O-N 3.3Å; R349-H352 WeakPolarHBondContact O-CA 3.42Å; R349-H352 PolarHBondContact O-N 3.39Å; T350-H352 PolarHBondContact O-CD2 2.89Å; T350-H352 PolarHBondContact O-N 3.23Å
353	Y	97.6	Very high	94.9	Very high	71 Å²	71	68.1 Å²	68.1	28%	0.278	32%	0.324	S	S	.	.			trans	-76.6	144.4	174.8	-63	-39.1	0	0	0	111.4	M114 K115 L118 F348 M351	M114-Y353 HydrophobicContact CB-CE2 4.15Å; M114-Y353 HydrophobicContact CG-CE2 4.14Å; K115-Y353 HydrophobicContact CB-CD1 4.07Å; K115-Y353 HydrophobicContact CB-CD2 3.93Å; K115-Y353 HydrophobicContact CB-CE1 4.16Å; K115-Y353 HydrophobicContact CB-CE2 4Å; K115-Y353 HydrophobicContact CB-CG 3.97Å; K115-Y353 HydrophobicContact CD-CD1 4.37Å; K115-Y353 HydrophobicContact CD-CG 4.47Å; K115-Y353 HydrophobicContact CG-CD1 4.26Å; K115-Y353 HydrophobicContact CG-CD2 4.28Å; K115-Y353 HydrophobicContact CG-CG 3.99Å; L118-Y353 HydrophobicContact CD1-CD2 4.3Å; L118-Y353 HydrophobicContact CD1-CE2 4.3Å; F348-Y353 WeakPolarHBondContact CD1-O 3.15Å; F348-Y353 AromaticContact CD2-CD2 3.88Å; F348-Y353 HydrophobicContact CD2-CD2 3.88Å; F348-Y353 HydrophobicContact CD2-CG 4.33Å; F348-Y353 VanDerWaalsContact CE1-C 3.41Å; F348-Y353 WeakPolarHBondContact CE1-O 3.48Å; F348-Y353 HydrophobicContact CE2-CD2 4.1Å; F348-Y353 HydrophobicContact CE2-CG 4.22Å; F348-Y353 HydrophobicContact CG-CD2 4.38Å; F348-Y353 HydrophobicContact CZ-CG 4.49Å; F348-Y353 PolarHBondContact O-N 3.02Å; M351-Y353 HydrophobicContact CB-CD2 3.77Å; M351-Y353 HydrophobicContact CB-CE1 4.43Å; M351-Y353 HydrophobicContact CB-CE2 3.58Å; M351-Y353 HydrophobicContact CB-CG 4.29Å; M351-Y353 HydrophobicContact CE-CE2 3.96Å; M351-Y353 WeakPolarHBondContact CE-OH 3.5Å; M351-Y353 HydrophobicContact CG-CE2 4.24Å; M351-Y353 PolarHBondContact O-N 2.95Å; M351-Y353 HydrophobicContact SD-CE2 3.67Å
354	Q	93.6	Very high	93.9	Very high	147 Å²	147	70.5 Å²	70.5	69%	0.687	34%	0.336	S	S	*	.			trans	-97.7	135.6	172.9	-64.1	-177.1	2	0	0	110.1	K115 F348 D356	K115-Q354 WeakPolarHBondContact CE-O 3.35Å; F348-Q354 WeakPolarHBondContact CZ-O 3.31Å; Q354-D356 VanDerWaalsContact C-N 3.25Å; Q354-D356 PolarHBondContact O-N 3.25Å
355	Y	91.6	Very high	92.6	Very high	85 Å²	85	75.1 Å²	75.1	33%	0.333	36%	0.356	S	S	.	.			trans	-85.1	71.5	178.8	-155.3	-77.9	0	0	0	109.7	M119 F348 Y357	M119-Y355 HydrophobicContact CB-CE2 4.21Å; M119-Y355 HydrophobicContact CG-CD2 4.03Å; M119-Y355 HydrophobicContact CG-CE2 3.79Å; M119-Y355 HydrophobicContact SD-CD2 4.47Å; M119-Y355 HydrophobicContact SD-CE2 4.49Å; F348-Y355 HydrophobicContact CE1-CD2 4.09Å; F348-Y355 HydrophobicContact CZ-CD2 4.04Å; Y355-Y357 HydrophobicContact CD1-CD1 4.46Å; Y355-Y357 HydrophobicContact CD1-CD2 4.45Å; Y355-Y357 HydrophobicContact CD1-CE1 4.15Å; Y355-Y357 HydrophobicContact CD1-CE2 4.09Å; Y355-Y357 AromaticContact CD1-CZ 3.92Å; Y355-Y357 AromaticContact CE1-CD1 3.88Å; Y355-Y357 HydrophobicContact CE1-CD1 3.88Å; Y355-Y357 AromaticContact CE1-CE1 3.46Å; Y355-Y357 HydrophobicContact CE1-CE1 3.46Å; Y355-Y357 VanDerWaalsContact CE1-CE1 3.46Å; Y355-Y357 HydrophobicContact CE1-CE2 4.22Å; Y355-Y357 HydrophobicContact CE1-CG 4.46Å; Y355-Y357 AromaticContact CE1-CZ 3.62Å
356	D	92.3	Very high	90.6	Very high	68 Å²	68	77.9 Å²	77.9	36%	0.364	38%	0.377	S	S	.	.			trans	-98	6.4	-174.7	60.2	6.4	0	0	0	113.3	K115 Q354 T358	K115-D356 WeakPolarHBondContact CE-OD1 3.33Å; K115-D356 IonicContact NZ-OD1 2.8Å; K115-D356 PolarHBondContact NZ-OD1 3.26Å; K115-D356 IonicContact NZ-OD2 2.7Å; K115-D356 PolarHBondContact NZ-OD2 3.35Å; Q354-D356 VanDerWaalsContact C-N 3.25Å; Q354-D356 PolarHBondContact O-N 3.25Å; D356-T358 PolarHBondContact O-N 3.37Å; D356-T358 VanDerWaalsContact O-N 3.11Å; D356-T358 VanDerWaalsContact OD1-CB 3.27Å; D356-T358 WeakPolarHBondContact OD1-CB 3.4Å; D356-T358 PolarHBondContact OD1-N 3.41Å
357	Y	91.4	Very high	88.2	Confident	115 Å²	115	80.4 Å²	80.4	45%	0.451	38%	0.384	S	S	.	.			trans	57.9	18.8	-174.5	-57.1	-88.1	0	0	0	114.4	N155 Y355 F359	N155-Y357 HydrophobicContact CB-CD1 3.9Å; N155-Y357 HydrophobicContact CB-CG 4.18Å; N155-Y357 WeakPolarHBondContact ND2-CD1 3.22Å; Y355-Y357 HydrophobicContact CD1-CD1 4.46Å; Y355-Y357 HydrophobicContact CD1-CD2 4.45Å; Y355-Y357 HydrophobicContact CD1-CE1 4.15Å; Y355-Y357 HydrophobicContact CD1-CE2 4.09Å; Y355-Y357 AromaticContact CD1-CZ 3.92Å; Y355-Y357 AromaticContact CE1-CD1 3.88Å; Y355-Y357 HydrophobicContact CE1-CD1 3.88Å; Y355-Y357 AromaticContact CE1-CE1 3.46Å; Y355-Y357 HydrophobicContact CE1-CE1 3.46Å; Y355-Y357 VanDerWaalsContact CE1-CE1 3.46Å; Y355-Y357 HydrophobicContact CE1-CE2 4.22Å; Y355-Y357 HydrophobicContact CE1-CG 4.46Å; Y355-Y357 AromaticContact CE1-CZ 3.62Å; Y357-F359 WeakPolarHBondContact O-CD2 3.37Å; Y357-F359 PolarHBondContact O-N 3.43Å
358	T	92.8	Very high	85.6	Confident	49 Å²	49	85.6 Å²	85.6	30%	0.301	42%	0.419	S	S	.	.			trans	-91.9	104	176.9	-59.8	0	0	0	0	110.1	M119 D356 T362	M119-T358 VanDerWaalsContact CE-O 3.27Å; M119-T358 WeakPolarHBondContact CE-O 3.46Å; D356-T358 PolarHBondContact O-N 3.37Å; D356-T358 VanDerWaalsContact O-N 3.11Å; D356-T358 VanDerWaalsContact OD1-CB 3.27Å; D356-T358 WeakPolarHBondContact OD1-CB 3.4Å; D356-T358 PolarHBondContact OD1-N 3.41Å; T358-T362 HydrophobicContact CG2-CG2 4.4Å
359	F	95.1	Very high	83.1	Confident	3 Å²	3	93.4 Å²	93.4	1%	0.013	46%	0.461	C	S	.	.			trans	-89.9	164.6	174.9	-57.6	-84.1	0	0	0	111.1	T116 M119 L120 M148 N155 Y357 W361 T362	T116-F359 HydrophobicContact CG2-CD1 4.13Å; M119-F359 HydrophobicContact CB-CE1 3.87Å; M119-F359 HydrophobicContact CE-CD1 3.65Å; M119-F359 HydrophobicContact CE-CE1 3.79Å; M119-F359 HydrophobicContact CE-CG 4.18Å; M119-F359 HydrophobicContact CE-CZ 4.41Å; L120-F359 HydrophobicContact CD2-CD1 4.47Å; L120-F359 HydrophobicContact CD2-CE1 3.91Å; L120-F359 HydrophobicContact CG-CD1 4.42Å; L120-F359 HydrophobicContact CG-CE1 4.07Å; M148-F359 HydrophobicContact CE-CE2 3.92Å; M148-F359 HydrophobicContact CE-CZ 4.23Å; N155-F359 HydrophobicContact CB-CE2 4.41Å; Y357-F359 WeakPolarHBondContact O-CD2 3.37Å; Y357-F359 PolarHBondContact O-N 3.43Å; F359-W361 HydrophobicContact CB-CD2 3.68Å; F359-W361 HydrophobicContact CB-CE3 3.98Å; F359-W361 HydrophobicContact CB-CG 4.36Å; F359-W361 HydrophobicContact CB-CH2 3.69Å; F359-W361 HydrophobicContact CB-CZ2 3.36Å; F359-W361 HydrophobicContact CB-CZ3 3.98Å; F359-W361 AromaticContact CD1-CH2 3.66Å; F359-W361 HydrophobicContact CD1-CH2 3.66Å; F359-W361 AromaticContact CD1-CZ2 3.73Å; F359-W361 HydrophobicContact CD1-CZ2 3.73Å; F359-W361 HydrophobicContact CD1-CZ3 4.45Å; F359-W361 HydrophobicContact CD2-CH2 4.44Å; F359-W361 AromaticContact CD2-CZ2 3.66Å; F359-W361 HydrophobicContact CD2-CZ2 3.66Å; F359-W361 HydrophobicContact CE1-CH2 4.39Å; F359-W361 HydrophobicContact CE1-CZ2 4.41Å; F359-W361 HydrophobicContact CE2-CZ2 4.37Å; F359-W361 AromaticContact CG-CE2 3.76Å; F359-W361 AromaticContact CG-CH2 3.68Å; F359-W361 HydrophobicContact CG-CH2 3.68Å; F359-W361 AromaticContact CG-CZ2 3.29Å; F359-W361 HydrophobicContact CG-CZ2 3.29Å; F359-W361 HydrophobicContact CG-CZ3 4.43Å; F359-W361 PolarHBondContact O-N 3.05Å; F359-T362 VanDerWaalsContact O-CB 3.25Å; F359-T362 WeakPolarHBondContact O-CB 3.35Å; F359-T362 PolarHBondContact O-N 3.32Å; F359-T362 PolarHBondContact O-OG1 3.25Å
360	D	95.4	Very high	80	Confident	34 Å²	34	87.5 Å²	87.5	18%	0.182	46%	0.458	C	S	.	.	H	α-helix	trans	-56.8	-37.8	-176	-58.2	-20.5	0	0	0	113.1	F112 S113 T116 T362 S363 L364	F112-D360 WeakPolarHBondContact CA-OD2 3.37Å; S113-D360 VanDerWaalsContact CB-OD1 3.27Å; S113-D360 WeakPolarHBondContact CB-OD1 3.49Å; S113-D360 PolarHBondContact N-OD2 3.29Å; S113-D360 PolarHBondContact OG-OD1 3.01Å; S113-D360 PolarHBondContact OG-OD2 3.1Å; T116-D360 WeakPolarHBondContact CB-OD2 3.29Å; T116-D360 PolarHBondContact OG1-N 3.05Å; T116-D360 VanDerWaalsContact OG1-N 3.09Å; T116-D360 PolarHBondContact OG1-OD1 3.23Å; T116-D360 PolarHBondContact OG1-OD2 3.14Å; D360-T362 VanDerWaalsContact C-N 3.29Å; D360-T362 PolarHBondContact O-N 3.36Å; D360-S363 PolarHBondContact O-N 3.03Å; D360-L364 WeakPolarHBondContact O-CG 3.3Å; D360-L364 PolarHBondContact O-N 3.47Å
361	W	94.5	Very high	76.9	Confident	16 Å²	16	88 Å²	88	6%	0.061	47%	0.471	C	S	.	.	H	α-helix	trans	-70.5	-23.4	177.9	55.5	81.4	0	0	0	113.3	L101 L104 F107 F112 T116 L120 M148 F359 S363 K365	L101-W361 HydrophobicContact CD2-CH2 4.18Å; L104-W361 HydrophobicContact CB-CD2 4.16Å; L104-W361 HydrophobicContact CB-CE3 3.74Å; L104-W361 HydrophobicContact CB-CZ3 4Å; L104-W361 HydrophobicContact CD1-CD2 3.96Å; L104-W361 HydrophobicContact CD1-CE3 4.12Å; L104-W361 HydrophobicContact CD1-CH2 3.87Å; L104-W361 HydrophobicContact CD1-CZ2 3.71Å; L104-W361 HydrophobicContact CD1-CZ3 4.08Å; L104-W361 HydrophobicContact CD2-CB 3.83Å; L104-W361 HydrophobicContact CD2-CD2 3.53Å; L104-W361 HydrophobicContact CD2-CE3 4.03Å; L104-W361 HydrophobicContact CD2-CG 3.44Å; L104-W361 VanDerWaalsContact CD2-CG 3.44Å; L104-W361 HydrophobicContact CG-CD2 4.07Å; L104-W361 HydrophobicContact CG-CE3 4.16Å; L104-W361 HydrophobicContact CG-CG 4.48Å; L104-W361 HydrophobicContact CG-CZ3 4.5Å; F107-W361 HydrophobicContact CD1-CB 3.87Å; F107-W361 HydrophobicContact CE1-CB 3.97Å; F112-W361 HydrophobicContact CD1-CZ3 4.4Å; F112-W361 AromaticContact CE1-CE3 3.85Å; F112-W361 HydrophobicContact CE1-CE3 3.85Å; F112-W361 AromaticContact CE1-CZ3 3.71Å; F112-W361 HydrophobicContact CE1-CZ3 3.71Å; F112-W361 HydrophobicContact CE2-CZ3 4.26Å; F112-W361 HydrophobicContact CZ-CE3 4.15Å; F112-W361 AromaticContact CZ-CZ3 3.63Å; F112-W361 HydrophobicContact CZ-CZ3 3.63Å; T116-W361 HydrophobicContact CG2-CH2 4.29Å; T116-W361 HydrophobicContact CG2-CZ3 3.84Å; L120-W361 HydrophobicContact CD1-CH2 4.14Å; L120-W361 HydrophobicContact CD1-CZ3 4.44Å; L120-W361 HydrophobicContact CD2-CH2 4.22Å; M148-W361 HydrophobicContact CE-CZ2 4.35Å; M148-W361 HydrophobicContact CG-CZ2 4.02Å; M148-W361 HydrophobicContact SD-CZ2 4.05Å; F359-W361 HydrophobicContact CB-CD2 3.68Å; F359-W361 HydrophobicContact CB-CE3 3.98Å; F359-W361 HydrophobicContact CB-CG 4.36Å; F359-W361 HydrophobicContact CB-CH2 3.69Å; F359-W361 HydrophobicContact CB-CZ2 3.36Å; F359-W361 HydrophobicContact CB-CZ3 3.98Å; F359-W361 AromaticContact CD1-CH2 3.66Å; F359-W361 HydrophobicContact CD1-CH2 3.66Å; F359-W361 AromaticContact CD1-CZ2 3.73Å; F359-W361 HydrophobicContact CD1-CZ2 3.73Å; F359-W361 HydrophobicContact CD1-CZ3 4.45Å; F359-W361 HydrophobicContact CD2-CH2 4.44Å; F359-W361 AromaticContact CD2-CZ2 3.66Å; F359-W361 HydrophobicContact CD2-CZ2 3.66Å; F359-W361 HydrophobicContact CE1-CH2 4.39Å; F359-W361 HydrophobicContact CE1-CZ2 4.41Å; F359-W361 HydrophobicContact CE2-CZ2 4.37Å; F359-W361 AromaticContact CG-CE2 3.76Å; F359-W361 AromaticContact CG-CH2 3.68Å; F359-W361 HydrophobicContact CG-CH2 3.68Å; F359-W361 AromaticContact CG-CZ2 3.29Å; F359-W361 HydrophobicContact CG-CZ2 3.29Å; F359-W361 HydrophobicContact CG-CZ3 4.43Å; F359-W361 PolarHBondContact O-N 3.05Å; W361-S363 VanDerWaalsContact C-N 3.35Å; W361-K365 WeakPolarHBondContact O-CG 3.35Å; W361-K365 PolarHBondContact O-N 3.42Å
362	T	89.2	Confident	73.7	Confident	54 Å²	54	90.8 Å²	90.8	33%	0.331	50%	0.498	S	S	.	.	H	α-helix	trans	-66.3	-40.8	174.5	-52.1	0	0	0	0	110.2	T358 F359 D360	T358-T362 HydrophobicContact CG2-CG2 4.4Å; F359-T362 VanDerWaalsContact O-CB 3.25Å; F359-T362 WeakPolarHBondContact O-CB 3.35Å; F359-T362 PolarHBondContact O-N 3.32Å; F359-T362 PolarHBondContact O-OG1 3.25Å; D360-T362 VanDerWaalsContact C-N 3.29Å; D360-T362 PolarHBondContact O-N 3.36Å
363	S	79.7	Confident	70.3	Confident	69 Å²	69	86.5 Å²	86.5	48%	0.483	50%	0.499	S	S	.	.	H	α-helix	trans	-74.6	-31.4	178.4	-54	0	0	0	0	113.3	D360 W361 N366	D360-S363 PolarHBondContact O-N 3.03Å; W361-S363 VanDerWaalsContact C-N 3.35Å; S363-N366 PolarHBondContact O-N 3.41Å
364	L	78	Confident	67	Low	62 Å²	62	88.7 Å²	88.7	33%	0.325	52%	0.524	S	S	.	.	H	α-helix	trans	-70	-31.8	178.4	-74.2	169.3	0	0	0	112.9	F107 C108 D360 N366 K367	F107-L364 HydrophobicContact CD1-CD1 4.11Å; F107-L364 HydrophobicContact CE1-CB 3.63Å; F107-L364 HydrophobicContact CE1-CD1 3.93Å; F107-L364 HydrophobicContact CE1-CG 4.45Å; F107-L364 HydrophobicContact CZ-CB 4.02Å; C108-L364 HydrophobicContact CB-CD1 4.29Å; D360-L364 WeakPolarHBondContact O-CG 3.3Å; D360-L364 PolarHBondContact O-N 3.47Å; L364-N366 VanDerWaalsContact C-N 3.27Å; L364-N366 PolarHBondContact O-N 3.17Å; L364-K367 PolarHBondContact O-N 3.47Å
365	K	70.6	Confident	63.9	Low	101 Å²	101	91.3 Å²	91.3	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-64.6	-29.6	174.6	-75	-176.4	176.1	-166.2	0	113.3	W361 K367	W361-K365 WeakPolarHBondContact O-CG 3.35Å; W361-K365 PolarHBondContact O-N 3.42Å; K365-K367 VanDerWaalsContact C-N 3.32Å; K365-K367 PolarHBondContact O-N 3.11Å
366	N	55.9	Low	60.9	Low	133 Å²	133	96 Å²	96	71%	0.711	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-2.9	-177.3	-68.2	-8.9	0	0	0	113.7	S363 L364 P368	S363-N366 PolarHBondContact O-N 3.41Å; L364-N366 VanDerWaalsContact C-N 3.27Å; L364-N366 PolarHBondContact O-N 3.17Å; N366-P368 WeakPolarHBondContact O-CD 3.38Å
367	K	49.2	Very low	57.8	Low	144 Å²	144	101.1 Å²	101.1	63%	0.626	58%	0.583	S	S	*	*	S	Bend	trans	-76.3	120.8	171.6	-74.7	-173.6	177.3	-179	0	108.2	L364 K365 N369	L364-K367 PolarHBondContact O-N 3.47Å; K365-K367 VanDerWaalsContact C-N 3.32Å; K365-K367 PolarHBondContact O-N 3.11Å; K367-N369 PolarHBondContact O-N 2.99Å
368	P	43.5	Very low	55	Low	118 Å²	118	98.3 Å²	98.3	77%	0.766	58%	0.581	S	S	*	*			trans	-56.9	131.8	171.9	23.1	-30.5	0	0	0	108	N366 G370	N366-P368 WeakPolarHBondContact O-CD 3.38Å; P368-G370 PolarHBondContact O-N 3.49Å
369	N	44.1	Very low	52.5	Low	179 Å²	179	101.5 Å²	101.5	96%	0.957	60%	0.6	S	S	*	*	S	Bend	trans	-56	88.2	176.8	-80.5	-26.8	0	0	0	109.6	K367	K367-N369 PolarHBondContact O-N 2.99Å
370	G	32.8	Very low	49.8	Very low	62 Å²	62	102.4 Å²	102.4	64%	0.639	61%	0.606	S	S	*	*			trans	-151	116.8	-177.2	0	0	0	0	0	108.6	P368	P368-G370 PolarHBondContact O-N 3.49Å
371	A	34	Very low	46.8	Very low	100 Å²	100	104.1 Å²	104.1	83%	0.826	62%	0.615	S	S	*	*	S	Bend	trans	68.7	83.8	172.4	0	0	0	0	0	116.8
372	S	29.8	Very low	44.3	Very low	129 Å²	129	110.3 Å²	110.3	90%	0.902	64%	0.642	S	S	*	*				-175.2	110.4	125.4	-78.6	0	0	0	0	109.8
373	G	26.2	Very low	42.1	Very low	78 Å²	78	111.5 Å²	111.5	80%	0.804	64%	0.643	S	S	*	*			trans	-76.4	144.1	176.3	0	0	0	0	0	112.9
374	S	28	Very low	40.3	Very low	116 Å²	116	108.9 Å²	108.9	81%	0.811	62%	0.624	S	S	*	*			trans	-176.7	123.4	135.1	54.5	0	0	0	0	107.4	Q376	S374-Q376 PolarHBondContact O-N 3.35Å
375	Q	27.9	Very low	38.2	Very low	203 Å²	203	111.4 Å²	111.4	95%	0.949	64%	0.636	S	S	*	*			trans	-60.8	99.6	179.8	-69.8	170.1	-13.1	0	0	110.8
376	Q	28.7	Very low	36.7	Very low	183 Å²	183	110.7 Å²	110.7	86%	0.855	64%	0.637	S	S	*	*			trans	-160.1	87.5	150	-106.9	178.7	7.5	0	0	106.4	S374 S378	S374-Q376 PolarHBondContact O-N 3.35Å; Q376-S378 VanDerWaalsContact C-N 3.34Å; Q376-S378 PolarHBondContact O-N 3.23Å
377	E	27.4	Very low	36.2	Very low	175 Å²	175	108 Å²	108	82%	0.818	62%	0.619	S	S	*	*			trans	-63.5	95.3	173.3	-77	-176.5	165.2	0	0	109.3
378	S	33.3	Very low	35.6	Very low	56 Å²	56	106.3 Å²	106.3	39%	0.392	62%	0.617	S	S	.	*			trans	-65.7	141.6	170.6	64.7	0	0	0	0	109.8	Q376 T380 N381	Q376-S378 VanDerWaalsContact C-N 3.34Å; Q376-S378 PolarHBondContact O-N 3.23Å; S378-T380 PolarHBondContact O-N 2.95Å; S378-N381 PolarHBondContact O-N 3.06Å
379	T	40.4	Very low	35.1	Very low	116 Å²	116	107.1 Å²	107.1	71%	0.712	62%	0.615	S	S	*	*	H	α-helix	trans	-53.7	-20.3	173	44.3	0	0	0	0	113	K382 K383	T379-K382 PolarHBondContact O-N 3.2Å; T379-K383 PolarHBondContact O-N 3.28Å
380	T	36.9	Very low	34.6	Very low	22 Å²	22	105.9 Å²	105.9	14%	0.135	61%	0.608	C	S	.	*	H	α-helix	trans	-62.3	-39.7	175.1	-35.7	0	0	0	0	112.6	D103 S378 K383 M384	D103-T380 HydrophobicContact CB-CG2 4.19Å; S378-T380 PolarHBondContact O-N 2.95Å; T380-K383 CarbonylContact O-C 3.49Å; T380-K383 WeakPolarHBondContact O-CB 3.49Å; T380-K383 PolarHBondContact O-N 3.41Å; T380-K383 VanDerWaalsContact O-N 3.17Å; T380-M384 PolarHBondContact O-N 3.4Å
381	N	32.5	Very low	34.4	Very low	71 Å²	71	110.4 Å²	110.4	38%	0.38	62%	0.618	S	S	.	*	H	α-helix	trans	-67.6	-37.5	178.3	-84.7	-4.6	0	0	0	112.1	S378 K383 M384 I385	S378-N381 PolarHBondContact O-N 3.06Å; N381-K383 PolarHBondContact O-N 2.61Å; N381-M384 PolarHBondContact O-N 2.88Å; N381-I385 HydrophobicContact CB-CD1 4.35Å; N381-I385 WeakPolarHBondContact O-CG1 3.12Å; N381-I385 PolarHBondContact O-N 3.32Å
382	K	41.6	Very low	34.3	Very low	145 Å²	145	114.6 Å²	114.6	63%	0.63	64%	0.641	S	S	*	*	H	α-helix	trans	-64.8	-28.1	173.1	-79.8	-177.3	178.8	173.8	0	113.1	T379 M384 N386	T379-K382 PolarHBondContact O-N 3.2Å; K382-M384 VanDerWaalsContact C-N 3.34Å; K382-N386 PolarHBondContact O-ND2 3.42Å; K382-N386 VanDerWaalsContact O-ND2 3.14Å
383	K	44.2	Very low	34.5	Very low	79 Å²	79	113.9 Å²	113.9	34%	0.343	63%	0.628	S	S	.	*	H	α-helix	trans	-81.2	-5.3	171.2	-77.6	-172	178.4	-176.1	0	113.8	I27 T379 T380 N381 F387	I27-K383 WeakPolarHBondContact O-CE 3.32Å; I27-K383 PolarHBondContact O-NZ 2.95Å; T379-K383 PolarHBondContact O-N 3.28Å; T380-K383 CarbonylContact O-C 3.49Å; T380-K383 WeakPolarHBondContact O-CB 3.49Å; T380-K383 PolarHBondContact O-N 3.41Å; T380-K383 VanDerWaalsContact O-N 3.17Å; N381-K383 PolarHBondContact O-N 2.61Å; K383-F387 WeakPolarHBondContact O-CD2 3.48Å; K383-F387 WeakPolarHBondContact O-CE2 3.48Å
384	M	40.3	Very low	34.9	Very low	15 Å²	15	115.7 Å²	115.7	7%	0.074	62%	0.619	C	S	.	*	H	α-helix	trans	-111.1	-35.8	177.6	-74.6	-156.7	-177.3	0	0	113.3	L104 F107 T380 N381 K382	L104-M384 HydrophobicContact CD2-CE 3.57Å; L104-M384 HydrophobicContact CG-CE 4.3Å; F107-M384 HydrophobicContact CB-CE 3.25Å; F107-M384 HydrophobicContact CB-SD 3.78Å; F107-M384 HydrophobicContact CD1-CE 3.88Å; F107-M384 HydrophobicContact CD1-SD 3.6Å; F107-M384 HydrophobicContact CD2-CE 3.99Å; F107-M384 HydrophobicContact CD2-SD 3.26Å; F107-M384 WeakPolarHBondContact CD2-SD 3.36Å; F107-M384 HydrophobicContact CE1-SD 3.89Å; F107-M384 HydrophobicContact CE2-SD 3.59Å; F107-M384 VanDerWaalsContact CE2-SD 3.59Å; F107-M384 HydrophobicContact CG-CE 3.46Å; F107-M384 VanDerWaalsContact CG-CE 3.46Å; F107-M384 HydrophobicContact CG-SD 3.26Å; F107-M384 WeakPolarHBondContact CG-SD 3.5Å; F107-M384 HydrophobicContact CZ-SD 3.9Å; T380-M384 PolarHBondContact O-N 3.4Å; N381-M384 PolarHBondContact O-N 2.88Å; K382-M384 VanDerWaalsContact C-N 3.34Å
385	I	34.9	Very low	35.3	Very low	114 Å²	114	115.7 Å²	115.7	59%	0.585	61%	0.608	S	S	*	*	H	α-helix	trans	-71	-37.9	-176.3	-63.9	168.2	0	0	0	111.3	N381 F387	N381-I385 HydrophobicContact CB-CD1 4.35Å; N381-I385 WeakPolarHBondContact O-CG1 3.12Å; N381-I385 PolarHBondContact O-N 3.32Å; I385-F387 VanDerWaalsContact C-N 3.25Å; I385-F387 PolarHBondContact O-N 3.02Å; I385-F387 VanDerWaalsContact O-N 3.11Å
386	N	39.7	Very low	35.8	Very low	86 Å²	86	110.6 Å²	110.6	46%	0.46	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	8.5	-175	-72.6	-37.4	0	0	0	116	K382	K382-N386 PolarHBondContact O-ND2 3.42Å; K382-N386 VanDerWaalsContact O-ND2 3.14Å
387	F	45.5	Very low	36.2	Very low	78 Å²	78	106.1 Å²	106.1	34%	0.342	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.5	-6.4	-168.3	-83.6	-84.7	0	0	0	115.9	I150 K383 I385	I150-F387 HydrophobicContact CG2-CD1 3.98Å; I150-F387 HydrophobicContact CG2-CE1 4.05Å; K383-F387 WeakPolarHBondContact O-CD2 3.48Å; K383-F387 WeakPolarHBondContact O-CE2 3.48Å; I385-F387 VanDerWaalsContact C-N 3.25Å; I385-F387 PolarHBondContact O-N 3.02Å; I385-F387 VanDerWaalsContact O-N 3.11Å
388	N	35.2	Very low	36.8	Very low	107 Å²	107	101.5 Å²	101.5	57%	0.572	56%	0.555	S	S	*	*	S	Bend	trans	-133.2	14.6	-176.5	-88.2	25.7	0	0	0	114.4	D390	N388-D390 PolarHBondContact O-N 3.15Å
389	D	34	Very low	37	Very low	135 Å²	135	104.7 Å²	104.7	72%	0.722	57%	0.566	S	S	*	*			trans	-75.5	4.4	173.3	-78.1	-14.7	0	0	0	113.3
390	D	32.6	Very low	36.8	Very low	153 Å²	153	103.8 Å²	103.8	82%	0.818	56%	0.555	S	S	*	*			trans	-102.5	65.8	171.6	-68.1	-25	0	0	0	111.1	N388	N388-D390 PolarHBondContact O-N 3.15Å
391	D	29.3	Very low	36.8	Very low	157 Å²	157	110.7 Å²	110.7	84%	0.84	59%	0.59	S	S	*	*			trans	-135.9	74.5	156.8	-90.7	-29.4	0	0	0	107.8
392	S	31.6	Very low	37.2	Very low	188 Å²	188	114.3 Å²	114.3	100%	1.315	61%	0.609	S	S	*	*			trans	-146.5	0	158.4	62.7	0	0	0	0	110.6

Retrieved 392 of 392 residues in 447.2 ms (Link to these results)

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