A0A087XKC0_POEFO Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A087XKC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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	33.2	Very low	37.7	Very low	246 Å²	246	124.2 Å²	124.2	100%	1.212	81%	0.814	S	S	*	*				0	104.3	0	-86.9	174.4	178.5	0	0	107.5
2	A	30.2	Very low	39.5	Very low	106 Å²	106	116.9 Å²	116.9	88%	0.876	78%	0.778	S	S	*	*			trans	-79.8	122.5	176.5	0	0	0	0	0	108.6	A4	A2-A4 PolarHBondContact O-N 3.09Å
3	T	30.6	Very low	41.5	Very low	133 Å²	133	119.2 Å²	119.2	82%	0.816	79%	0.791	S	S	*	*			trans	-76	110.9	170.9	33.8	0	0	0	0	108.6
4	A	31.4	Very low	44	Very low	99 Å²	99	113.2 Å²	113.2	82%	0.818	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-69.4	129.6	172.3	0	0	0	0	0	109.8	A2	A2-A4 PolarHBondContact O-N 3.09Å
5	F	32.1	Very low	47	Very low	193 Å²	193	107.5 Å²	107.5	85%	0.846	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-68.1	145.2	166.8	-74.8	-88.4	0	0	0	109.7	A7	F5-A7 PolarHBondContact O-N 3.25Å
6	P	38.8	Very low	50	Low	120 Å²	120	104.6 Å²	104.6	78%	0.779	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-66.2	132.3	173.8	8.5	1.3	0	0	0	109.4	G8	P6-G8 PolarHBondContact O-N 3.27Å
7	A	38.7	Very low	52.6	Low	106 Å²	106	105.1 Å²	105.1	88%	0.876	69%	0.688	S	S	*	*			trans	-59.9	106.4	172.5	0	0	0	0	0	109.2	F5	F5-A7 PolarHBondContact O-N 3.25Å
8	G	40.5	Very low	55	Low	69 Å²	69	100.1 Å²	100.1	71%	0.711	66%	0.655	S	S	*	*			trans	-64.5	141.8	172.6	0	0	0	0	0	110.6	P6	P6-G8 PolarHBondContact O-N 3.27Å
9	S	40.5	Very low	57	Low	113 Å²	113	104.1 Å²	104.1	79%	0.79	66%	0.656	S	S	*	*			trans	-36.4	135.4	170.9	47.8	0	0	0	0	112.9
10	S	44.1	Very low	58.7	Low	107 Å²	107	102.5 Å²	102.5	75%	0.748	66%	0.66	S	S	*	*			trans	-43.8	131	170.1	-35.6	0	0	0	0	110.2	G12	S10-G12 PolarHBondContact O-N 3.27Å
11	P	55.2	Low	60.2	Low	74 Å²	74	100.8 Å²	100.8	48%	0.481	64%	0.643	S	S	.	*			trans	-56	137.6	176	-13.9	23.1	0	0	0	109.7	T15 L17	P11-T15 HydrophobicContact CB-CG2 3.75Å; P11-L17 HydrophobicContact CG-CD1 4.48Å
12	G	59	Low	63.1	Low	37 Å²	37	90.7 Å²	90.7	38%	0.381	60%	0.599	S	S	.	*			trans	-61.1	161.6	175	0	0	0	0	0	111.3	S10 G14 T15	S10-G12 PolarHBondContact O-N 3.27Å; G12-G14 PolarHBondContact O-N 2.89Å; G12-T15 PolarHBondContact N-OG1 3.02Å; G12-T15 PolarHBondContact O-N 3.07Å; G12-T15 PolarHBondContact O-OG1 3.08Å
13	P	65.2	Low	66.2	Low	146 Å²	146	85.7 Å²	85.7	95%	0.948	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	112.3	174.6	23.1	-30.7	0	0	0	109.8
14	G	76.2	Confident	69.3	Low	36 Å²	36	82.9 Å²	82.9	37%	0.371	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.9	-0.3	-177.8	0	0	0	0	0	115.9	G12 G26	G12-G14 PolarHBondContact O-N 2.89Å; G14-G26 WeakPolarHBondContact O-CA 3.44Å; G14-G26 PolarHBondContact O-N 3.5Å; G14-G26 VanDerWaalsContact O-N 3.17Å
15	T	89.9	Confident	72.4	Confident	27 Å²	27	78.3 Å²	78.3	17%	0.166	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.6	172.9	-53.6	0	0	0	0	111	P11 G12 A22 F23 D24	P11-T15 HydrophobicContact CB-CG2 3.75Å; G12-T15 PolarHBondContact N-OG1 3.02Å; G12-T15 PolarHBondContact O-N 3.07Å; G12-T15 PolarHBondContact O-OG1 3.08Å; T15-A22 HydrophobicContact CG2-CB 3.9Å; T15-F23 WeakPolarHBondContact CA-O 3.16Å; T15-D24 VanDerWaalsContact CB-OD1 3.31Å; T15-D24 WeakPolarHBondContact CB-OD1 3.18Å; T15-D24 WeakPolarHBondContact CG2-OD1 3.48Å; T15-D24 PolarHBondContact OG1-OD1 3.27Å
16	E	94	Very high	75.4	Confident	61 Å²	61	70.5 Å²	70.5	29%	0.285	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.4	170.4	-68.4	-175.5	-144.7	0	0	110.6	F23 S30 N31 L32	E16-F23 PolarHBondContact N-O 2.64Å; E16-F23 PolarHBondContact O-N 3.02Å; E16-S30 WeakPolarHBondContact OE1-CA 3.35Å; E16-N31 PolarHBondContact OE1-N 3.38Å; E16-N31 PolarHBondContact OE2-N 3.41Å; E16-L32 HydrophobicContact CB-CD1 4.11Å; E16-L32 VanDerWaalsContact CD-CD1 3.43Å; E16-L32 HydrophobicContact CG-CD1 4.16Å; E16-L32 WeakPolarHBondContact OE2-CD1 3.45Å; E16-L32 PolarHBondContact OE2-N 2.67Å
17	L	94.9	Very high	78	Confident	114 Å²	114	69.8 Å²	69.8	60%	0.597	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.9	175.3	-74.9	169	0	0	0	110.2	P11 Q21 A22	P11-L17 HydrophobicContact CG-CD1 4.48Å; L17-Q21 WeakPolarHBondContact CA-O 3.4Å; L17-A22 HydrophobicContact CD2-CB 4.16Å
18	V	94.9	Very high	80.8	Confident	14 Å²	14	67.4 Å²	67.4	9%	0.085	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.8	175.1	-175	0	0	0	0	108.9	G20 Q21 F23 L32 Y34 M42	V18-G20 PolarHBondContact O-N 3.35Å; V18-G20 VanDerWaalsContact O-N 3.08Å; V18-Q21 PolarHBondContact N-O 3.33Å; V18-Q21 PolarHBondContact O-N 3Å; V18-F23 HydrophobicContact CB-CD2 4.39Å; V18-F23 HydrophobicContact CB-CE2 4.44Å; V18-F23 HydrophobicContact CG2-CD2 4.42Å; V18-L32 HydrophobicContact CG2-CB 3.66Å; V18-L32 HydrophobicContact CG2-CD2 4.02Å; V18-Y34 HydrophobicContact CG1-CD2 4.49Å; V18-M42 HydrophobicContact CB-SD 4.3Å; V18-M42 HydrophobicContact CG1-SD 4.12Å
19	R	93	Very high	83.5	Confident	177 Å²	177	64.3 Å²	64.3	67%	0.668	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	36	-177	-63.6	-169.2	169.9	-164.7	-1.7	113.9	Q21 Y34 M42	R19-Q21 VanDerWaalsContact C-N 3.35Å; R19-Y34 HydrophobicContact CG-CD2 4.35Å; R19-Y34 VanDerWaalsContact CZ-CD1 3.44Å; R19-M42 HydrophobicContact CB-CE 4.21Å
20	G	90.9	Very high	86.2	Confident	72 Å²	72	59.1 Å²	59.1	74%	0.742	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	0.9	179.2	0	0	0	0	0	115.5	V18	V18-G20 PolarHBondContact O-N 3.35Å; V18-G20 VanDerWaalsContact O-N 3.08Å
21	Q	91.9	Very high	88.7	Confident	66 Å²	66	59 Å²	59	31%	0.308	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.3	172.2	-63.6	-172.3	15.4	0	0	111	L17 V18 R19 M42	L17-Q21 WeakPolarHBondContact CA-O 3.4Å; V18-Q21 PolarHBondContact N-O 3.33Å; V18-Q21 PolarHBondContact O-N 3Å; R19-Q21 VanDerWaalsContact C-N 3.35Å; Q21-M42 HydrophobicContact CB-CE 4.26Å; Q21-M42 VanDerWaalsContact CD-CE 3.46Å; Q21-M42 HydrophobicContact CG-CE 3.95Å
22	A	93.6	Very high	90.7	Very high	35 Å²	35	56.6 Å²	56.6	29%	0.289	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.4	175.5	0	0	0	0	0	111.4	T15 L17 K59	T15-A22 HydrophobicContact CG2-CB 3.9Å; L17-A22 HydrophobicContact CD2-CB 4.16Å; A22-K59 PolarHBondContact O-NZ 3.07Å
23	F	95.9	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	105.9	172.4	-88.7	-109.1	0	0	0	109.5	T15 E16 V18 V25 L32 M42 C44 K59 Y106	T15-F23 WeakPolarHBondContact CA-O 3.16Å; E16-F23 PolarHBondContact N-O 2.64Å; E16-F23 PolarHBondContact O-N 3.02Å; V18-F23 HydrophobicContact CB-CD2 4.39Å; V18-F23 HydrophobicContact CB-CE2 4.44Å; V18-F23 HydrophobicContact CG2-CD2 4.42Å; F23-V25 HydrophobicContact CB-CG2 4.48Å; F23-V25 HydrophobicContact CD1-CG1 4.35Å; F23-V25 PolarHBondContact O-N 3.2Å; F23-L32 HydrophobicContact CB-CD2 3.38Å; F23-L32 HydrophobicContact CD1-CD2 3.43Å; F23-L32 VanDerWaalsContact CD1-CD2 3.43Å; F23-L32 HydrophobicContact CD2-CD2 4.29Å; F23-L32 HydrophobicContact CE1-CD2 4.25Å; F23-L32 HydrophobicContact CG-CD2 3.45Å; F23-L32 VanDerWaalsContact CG-CD2 3.45Å; F23-M42 HydrophobicContact CE2-CB 4.28Å; F23-M42 HydrophobicContact CE2-CG 4.15Å; F23-M42 HydrophobicContact CE2-SD 3.65Å; F23-M42 HydrophobicContact CZ-CB 3.97Å; F23-M42 HydrophobicContact CZ-CG 3.94Å; F23-M42 HydrophobicContact CZ-SD 4.04Å; F23-C44 HydrophobicContact CE1-CB 4.12Å; F23-C44 HydrophobicContact CZ-CB 4.34Å; F23-C44 VanDerWaalsContact CZ-SG 3.51Å; F23-K59 HydrophobicContact CD1-CB 4.26Å; F23-K59 HydrophobicContact CD2-CD 4.24Å; F23-K59 HydrophobicContact CE1-CB 3.52Å; F23-K59 HydrophobicContact CE2-CB 4.22Å; F23-K59 HydrophobicContact CE2-CD 4.01Å; F23-K59 HydrophobicContact CZ-CB 3.49Å; F23-K59 VanDerWaalsContact CZ-CB 3.49Å; F23-K59 HydrophobicContact CZ-CD 4.16Å; F23-K59 HydrophobicContact CZ-CG 4.41Å; F23-Y106 HydrophobicContact CB-CE1 4.38Å; F23-Y106 HydrophobicContact CD1-CD1 4.01Å; F23-Y106 AromaticContact CD1-CE1 3.85Å; F23-Y106 HydrophobicContact CD1-CE1 3.85Å; F23-Y106 HydrophobicContact CE1-CD1 4.37Å; F23-Y106 HydrophobicContact CE1-CE1 4.42Å; F23-Y106 HydrophobicContact CG-CE1 4.18Å
24	D	95.2	Very high	94	Very high	75 Å²	75	54 Å²	54	40%	0.401	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	67.6	-178.1	-55.9	-54.9	0	0	0	110.6	T15 Y106	T15-D24 VanDerWaalsContact CB-OD1 3.31Å; T15-D24 WeakPolarHBondContact CB-OD1 3.18Å; T15-D24 WeakPolarHBondContact CG2-OD1 3.48Å; T15-D24 PolarHBondContact OG1-OD1 3.27Å; D24-Y106 HydrophobicContact CB-CE2 4.39Å; D24-Y106 PolarHBondContact N-OH 2.97Å; D24-Y106 VanDerWaalsContact N-OH 3.1Å; D24-Y106 PolarHBondContact OD2-OH 3.14Å
25	V	96.3	Very high	94.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	31%	0.309	C	S	.	.			trans	-119.7	-5.2	-171.6	-57.2	0	0	0	0	113.8	F23 Y29 L32 I57 I94 Y106	F23-V25 HydrophobicContact CB-CG2 4.48Å; F23-V25 HydrophobicContact CD1-CG1 4.35Å; F23-V25 PolarHBondContact O-N 3.2Å; V25-Y29 HydrophobicContact CB-CD2 4.44Å; V25-Y29 WeakPolarHBondContact O-CD2 3.18Å; V25-Y29 PolarHBondContact O-N 3.39Å; V25-L32 HydrophobicContact CG2-CD1 3.83Å; V25-L32 HydrophobicContact CG2-CD2 4.16Å; V25-I57 HydrophobicContact CB-CD1 4.32Å; V25-I57 HydrophobicContact CG1-CD1 4.45Å; V25-I57 HydrophobicContact CG1-CG2 4.24Å; V25-I57 HydrophobicContact CG2-CD1 4.28Å; V25-I94 HydrophobicContact CB-CD1 3.73Å; V25-I94 HydrophobicContact CG1-CD1 3.86Å; V25-Y106 HydrophobicContact CG1-CD1 3.43Å; V25-Y106 VanDerWaalsContact CG1-CD1 3.43Å; V25-Y106 HydrophobicContact CG1-CD2 4.31Å; V25-Y106 HydrophobicContact CG1-CE1 3.81Å; V25-Y106 HydrophobicContact CG1-CG 3.71Å
26	G	94.8	Very high	94.7	Very high	29 Å²	29	54.9 Å²	54.9	30%	0.299	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	166.1	173.8	0	0	0	0	0	113.2	G14	G14-G26 WeakPolarHBondContact O-CA 3.44Å; G14-G26 PolarHBondContact O-N 3.5Å; G14-G26 VanDerWaalsContact O-N 3.17Å
27	P	94.5	Very high	94.2	Very high	105 Å²	105	57.4 Å²	57.4	68%	0.682	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.8	-9	1.7	34.1	-36	0	0	0	114.1	R49	P27-R49 VanDerWaalsContact O-CD 3.28Å; P27-R49 WeakPolarHBondContact O-CD 3.25Å; P27-R49 PolarHBondContact O-NE 2.84Å
28	R	96.5	Very high	93	Very high	55 Å²	55	54.3 Å²	54.3	21%	0.208	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-47.2	-174.8	179.2	174.6	173.6	-166.7	-8.1	112.6	D48 R49 D50 N51 D92	R28-D48 WeakPolarHBondContact CG-OD1 3.34Å; R28-D48 IonicContact CZ-OD1 3.33Å; R28-D48 IonicContact CZ-OD2 3.72Å; R28-D48 IonicContact NE-OD1 3.72Å; R28-D48 PolarHBondContact NE-OD1 3.4Å; R28-D48 IonicContact NE-OD2 3.75Å; R28-D48 PolarHBondContact NE-OD2 2.96Å; R28-D48 IonicContact NH2-OD1 3.75Å; R28-D48 IonicContact NH2-OD2 2.72Å; R28-D48 PolarHBondContact NH2-OD2 3.47Å; R28-R49 WeakPolarHBondContact O-CB 3.3Å; R28-R49 VanDerWaalsContact O-CG 3.28Å; R28-R49 WeakPolarHBondContact O-CG 3.43Å; R28-R49 PolarHBondContact O-N 2.93Å; R28-D50 WeakPolarHBondContact CD-OD2 3.49Å; R28-D50 IonicContact CZ-OD2 3.82Å; R28-D50 IonicContact NE-OD2 2.74Å; R28-D50 PolarHBondContact NE-OD2 2.93Å; R28-N51 PolarHBondContact NH2-ND2 3.49Å; R28-N51 VanDerWaalsContact NH2-ND2 3.16Å; R28-D92 IonicContact CZ-OD2 3.05Å; R28-D92 IonicContact NH1-OD2 3.96Å; R28-D92 PolarHBondContact NH1-OD2 2.94Å
29	Y	97.9	Very high	91.6	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.016	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	179.7	-53.5	-80	0	0	0	110	V25 Y47 D48 V55 I57 D92 I94 V108	V25-Y29 HydrophobicContact CB-CD2 4.44Å; V25-Y29 WeakPolarHBondContact O-CD2 3.18Å; V25-Y29 PolarHBondContact O-N 3.39Å; Y29-Y47 WeakPolarHBondContact CA-O 3.42Å; Y29-D48 HydrophobicContact CD1-CB 3.94Å; Y29-D48 HydrophobicContact CE1-CB 3.8Å; Y29-V55 HydrophobicContact CD1-CG2 3.75Å; Y29-V55 HydrophobicContact CE1-CG2 3.88Å; Y29-I57 HydrophobicContact CD1-CD1 3.88Å; Y29-I57 HydrophobicContact CD2-CD1 4.19Å; Y29-I57 HydrophobicContact CG-CD1 3.6Å; Y29-D92 VanDerWaalsContact OH-CB 3.22Å; Y29-D92 WeakPolarHBondContact OH-CB 3.2Å; Y29-D92 PolarHBondContact OH-OD2 3.47Å; Y29-I94 HydrophobicContact CD2-CD1 3.38Å; Y29-I94 HydrophobicContact CD2-CG1 4.47Å; Y29-I94 HydrophobicContact CE2-CD1 3.45Å; Y29-I94 VanDerWaalsContact CE2-CD1 3.45Å; Y29-I94 HydrophobicContact CE2-CG1 4.1Å; Y29-I94 HydrophobicContact CG-CD1 4.5Å; Y29-V108 HydrophobicContact CE1-CG1 3.83Å; Y29-V108 HydrophobicContact CE1-CG2 4.25Å; Y29-V108 HydrophobicContact CE2-CG2 4.01Å
30	S	97	Very high	90.6	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	175.3	-177.9	59.8	0	0	0	0	112.7	E16 Y47 R49	E16-S30 WeakPolarHBondContact OE1-CA 3.35Å; S30-Y47 PolarHBondContact N-O 3.16Å; S30-Y47 PolarHBondContact O-N 2.99Å; S30-R49 PolarHBondContact OG-NE 3.01Å; S30-R49 PolarHBondContact OG-NH2 3.11Å
31	N	96.4	Very high	90.3	Very high	106 Å²	106	47.8 Å²	47.8	57%	0.567	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60	53.5	-180	-61	-23	0	0	0	111.7	E16	E16-N31 PolarHBondContact OE1-N 3.38Å; E16-N31 PolarHBondContact OE2-N 3.41Å
32	L	97.4	Very high	90.3	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.12	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.9	-174.7	-80.8	76.9	0	0	0	111.5	E16 V18 F23 V25 C44 S45 A46	E16-L32 HydrophobicContact CB-CD1 4.11Å; E16-L32 VanDerWaalsContact CD-CD1 3.43Å; E16-L32 HydrophobicContact CG-CD1 4.16Å; E16-L32 WeakPolarHBondContact OE2-CD1 3.45Å; E16-L32 PolarHBondContact OE2-N 2.67Å; V18-L32 HydrophobicContact CG2-CB 3.66Å; V18-L32 HydrophobicContact CG2-CD2 4.02Å; F23-L32 HydrophobicContact CB-CD2 3.38Å; F23-L32 HydrophobicContact CD1-CD2 3.43Å; F23-L32 VanDerWaalsContact CD1-CD2 3.43Å; F23-L32 HydrophobicContact CD2-CD2 4.29Å; F23-L32 HydrophobicContact CE1-CD2 4.25Å; F23-L32 HydrophobicContact CG-CD2 3.45Å; F23-L32 VanDerWaalsContact CG-CD2 3.45Å; V25-L32 HydrophobicContact CG2-CD1 3.83Å; V25-L32 HydrophobicContact CG2-CD2 4.16Å; L32-C44 HydrophobicContact CB-CB 4.47Å; L32-C44 HydrophobicContact CD2-CB 4.18Å; L32-C44 HydrophobicContact CG-CB 4.45Å; L32-S45 CarbonylContact C-O 3.54Å; L32-S45 VanDerWaalsContact CA-O 3.28Å; L32-S45 WeakPolarHBondContact CA-O 3.33Å; L32-A46 HydrophobicContact CD1-CB 4.32Å; L32-A46 HydrophobicContact CG-CB 4.22Å
33	S	96.8	Very high	90.4	Very high	63 Å²	63	44.8 Å²	44.8	44%	0.441	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.8	172.7	-173.3	0	0	0	0	111.2	C44 S45	S33-C44 CarbonylContact O-C 3.56Å; S33-C44 VanDerWaalsContact O-CA 3.26Å; S33-C44 WeakPolarHBondContact O-CA 3.5Å; S33-S45 PolarHBondContact N-O 3.38Å; S33-S45 PolarHBondContact O-N 2.91Å; S33-S45 PolarHBondContact O-OG 2.73Å
34	Y	95.8	Very high	90.5	Very high	65 Å²	65	44.8 Å²	44.8	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	132.9	-177	176.4	-93.7	0	0	0	112.3	V18 R19 G36 E37 M42	V18-Y34 HydrophobicContact CG1-CD2 4.49Å; R19-Y34 HydrophobicContact CG-CD2 4.35Å; R19-Y34 VanDerWaalsContact CZ-CD1 3.44Å; Y34-G36 WeakPolarHBondContact CE2-O 3.2Å; Y34-G36 VanDerWaalsContact CZ-CA 3.49Å; Y34-E37 HydrophobicContact CE2-CB 4.36Å; Y34-E37 PolarHBondContact OH-N 3.4Å; Y34-M42 HydrophobicContact CD2-CE 4.41Å; Y34-M42 HydrophobicContact CD2-CG 3.99Å; Y34-M42 HydrophobicContact CD2-SD 3.91Å; Y34-M42 HydrophobicContact CE2-CE 4.28Å; Y34-M42 HydrophobicContact CE2-CG 4Å; Y34-M42 HydrophobicContact CE2-SD 4.24Å
35	I	92.4	Very high	90.6	Very high	62 Å²	62	41.7 Å²	41.7	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-48.6	172.9	-63.1	173.7	0	0	0	110.8	V43 L111	I35-V43 HydrophobicContact CB-CG1 4.41Å; I35-V43 HydrophobicContact CD1-CG1 4.21Å; I35-V43 PolarHBondContact N-O 3.18Å; I35-L111 HydrophobicContact CD1-CD1 3.52Å
36	G	88	Confident	90.7	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	174.6	-171.6	0	0	0	0	0	112.9	Y34 V43	Y34-G36 WeakPolarHBondContact CE2-O 3.2Å; Y34-G36 VanDerWaalsContact CZ-CA 3.49Å; G36-V43 PolarHBondContact N-O 2.97Å; G36-V43 PolarHBondContact O-N 2.92Å
37	E	83.6	Confident	90.9	Very high	115 Å²	115	43.8 Å²	43.8	54%	0.537	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.4	178.8	-170.1	168.1	-167.3	0	0	108.5	Y34	Y34-E37 HydrophobicContact CE2-CB 4.36Å; Y34-E37 PolarHBondContact OH-N 3.4Å
38	G	71.1	Confident	91	Very high	48 Å²	48	38.9 Å²	38.9	50%	0.495	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-172.4	175.6	0	0	0	0	0	111.4	Y40 G41	G38-Y40 PolarHBondContact O-N 2.63Å; G38-Y40 VanDerWaalsContact O-N 3.08Å; G38-G41 PolarHBondContact N-O 3.29Å
39	A	64.9	Low	91	Very high	81 Å²	81	41.9 Å²	41.9	67%	0.669	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	-174.9	0	0	0	0	0	115.1
40	Y	72.4	Confident	90.9	Very high	31 Å²	31	46.8 Å²	46.8	12%	0.122	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.3	24.6	-176.7	62.5	-78	0	0	0	113.4	G38 I60 Y68	G38-Y40 PolarHBondContact O-N 2.63Å; G38-Y40 VanDerWaalsContact O-N 3.08Å; Y40-I60 HydrophobicContact CD2-CG2 3.35Å; Y40-I60 HydrophobicContact CE2-CD1 4.41Å; Y40-I60 HydrophobicContact CE2-CG2 3.44Å; Y40-I60 VanDerWaalsContact CE2-CG2 3.44Å; Y40-Y68 HydrophobicContact CG-CD1 4.38Å; Y40-Y68 HydrophobicContact CG-CG 4.3Å
41	G	83.1	Confident	90.9	Very high	14 Å²	14	51.2 Å²	51.2	14%	0.144	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	157.2	-179.9	0	0	0	0	0	115.5	G38 K59	G38-G41 PolarHBondContact N-O 3.29Å; G41-K59 CarbonylContact C-O 3.59Å; G41-K59 WeakPolarHBondContact CA-O 3.27Å
42	M	93.8	Very high	90.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139	177.7	-178.1	179.9	-65.4	0	0	110.2	V18 R19 Q21 F23 Y34 K59	V18-M42 HydrophobicContact CB-SD 4.3Å; V18-M42 HydrophobicContact CG1-SD 4.12Å; R19-M42 HydrophobicContact CB-CE 4.21Å; Q21-M42 HydrophobicContact CB-CE 4.26Å; Q21-M42 VanDerWaalsContact CD-CE 3.46Å; Q21-M42 HydrophobicContact CG-CE 3.95Å; F23-M42 HydrophobicContact CE2-CB 4.28Å; F23-M42 HydrophobicContact CE2-CG 4.15Å; F23-M42 HydrophobicContact CE2-SD 3.65Å; F23-M42 HydrophobicContact CZ-CB 3.97Å; F23-M42 HydrophobicContact CZ-CG 3.94Å; F23-M42 HydrophobicContact CZ-SD 4.04Å; Y34-M42 HydrophobicContact CD2-CE 4.41Å; Y34-M42 HydrophobicContact CD2-CG 3.99Å; Y34-M42 HydrophobicContact CD2-SD 3.91Å; Y34-M42 HydrophobicContact CE2-CE 4.28Å; Y34-M42 HydrophobicContact CE2-CG 4Å; Y34-M42 HydrophobicContact CE2-SD 4.24Å; M42-K59 PolarHBondContact N-O 3.48Å; M42-K59 PolarHBondContact O-N 2.99Å
43	V	95.2	Very high	90.9	Very high	36 Å²	36	55.8 Å²	55.8	22%	0.218	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.9	176.6	-170.1	0	0	0	0	109.8	I35 G36 A56 I57 K58	I35-V43 HydrophobicContact CB-CG1 4.41Å; I35-V43 HydrophobicContact CD1-CG1 4.21Å; I35-V43 PolarHBondContact N-O 3.18Å; G36-V43 PolarHBondContact N-O 2.97Å; G36-V43 PolarHBondContact O-N 2.92Å; V43-A56 HydrophobicContact CG1-CB 4.38Å; V43-I57 WeakPolarHBondContact CA-O 3.42Å; V43-K58 HydrophobicContact CG2-CB 4.16Å; V43-K58 HydrophobicContact CG2-CG 4.04Å
44	C	97.3	Very high	90.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.6	175.8	-67.5	0	0	0	0	109.9	F23 L32 S33 A56 I57	F23-C44 HydrophobicContact CE1-CB 4.12Å; F23-C44 HydrophobicContact CZ-CB 4.34Å; F23-C44 VanDerWaalsContact CZ-SG 3.51Å; L32-C44 HydrophobicContact CB-CB 4.47Å; L32-C44 HydrophobicContact CD2-CB 4.18Å; L32-C44 HydrophobicContact CG-CB 4.45Å; S33-C44 CarbonylContact O-C 3.56Å; S33-C44 VanDerWaalsContact O-CA 3.26Å; S33-C44 WeakPolarHBondContact O-CA 3.5Å; C44-A56 CarbonylContact O-C 3.43Å; C44-I57 PolarHBondContact N-O 3.25Å; C44-I57 PolarHBondContact O-N 2.71Å
45	S	97.6	Very high	91	Very high	11 Å²	11	55.2 Å²	55.2	8%	0.077	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	146	159.3	56.5	0	0	0	0	109.3	L32 S33 R54 V55	L32-S45 CarbonylContact C-O 3.54Å; L32-S45 VanDerWaalsContact CA-O 3.28Å; L32-S45 WeakPolarHBondContact CA-O 3.33Å; S33-S45 PolarHBondContact N-O 3.38Å; S33-S45 PolarHBondContact O-N 2.91Å; S33-S45 PolarHBondContact O-OG 2.73Å; S45-R54 PolarHBondContact OG-NH2 3.22Å; S45-V55 CarbonylContact C-O 3.48Å; S45-V55 WeakPolarHBondContact CA-O 3.45Å
46	A	98.3	Very high	91.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.7	174.3	0	0	0	0	0	110.2	L32 R54 V55 I57	L32-A46 HydrophobicContact CD1-CB 4.32Å; L32-A46 HydrophobicContact CG-CB 4.22Å; A46-R54 CarbonylContact O-C 3.53Å; A46-R54 VanDerWaalsContact O-CA 3.25Å; A46-R54 WeakPolarHBondContact O-CA 3.22Å; A46-V55 HydrophobicContact CB-CG2 4.32Å; A46-V55 PolarHBondContact N-O 3.31Å; A46-V55 PolarHBondContact O-N 2.87Å; A46-I57 HydrophobicContact CB-CD1 3.55Å; A46-I57 HydrophobicContact CB-CG1 4.07Å
47	Y	98.3	Very high	91.8	Very high	75 Å²	75	51.9 Å²	51.9	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	117.8	170.6	-175	-106.4	0	0	0	109.8	Y29 S30 R49 K52 R54	Y29-Y47 WeakPolarHBondContact CA-O 3.42Å; S30-Y47 PolarHBondContact N-O 3.16Å; S30-Y47 PolarHBondContact O-N 2.99Å; Y47-R49 HydrophobicContact CD1-CG 4.14Å; Y47-R49 HydrophobicContact CE1-CG 4.38Å; Y47-R49 PolarHBondContact O-N 3.49Å; Y47-K52 WeakPolarHBondContact OH-CA 3.28Å; Y47-K52 WeakPolarHBondContact OH-CD 3.33Å; Y47-R54 HydrophobicContact CD2-CG 4.44Å
48	D	98.1	Very high	92.4	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.4	171.7	-175.6	-12.7	0	0	0	109	R28 Y29 D50 N51 K52 L53 V55	R28-D48 WeakPolarHBondContact CG-OD1 3.34Å; R28-D48 IonicContact CZ-OD1 3.33Å; R28-D48 IonicContact CZ-OD2 3.72Å; R28-D48 IonicContact NE-OD1 3.72Å; R28-D48 PolarHBondContact NE-OD1 3.4Å; R28-D48 IonicContact NE-OD2 3.75Å; R28-D48 PolarHBondContact NE-OD2 2.96Å; R28-D48 IonicContact NH2-OD1 3.75Å; R28-D48 IonicContact NH2-OD2 2.72Å; R28-D48 PolarHBondContact NH2-OD2 3.47Å; Y29-D48 HydrophobicContact CD1-CB 3.94Å; Y29-D48 HydrophobicContact CE1-CB 3.8Å; D48-D50 VanDerWaalsContact C-N 3.25Å; D48-D50 PolarHBondContact O-N 2.76Å; D48-D50 PolarHBondContact OD1-N 3.43Å; D48-N51 HydrophobicContact CB-CB 4.49Å; D48-N51 PolarHBondContact OD1-N 2.92Å; D48-N51 PolarHBondContact OD2-ND2 2.81Å; D48-K52 VanDerWaalsContact O-CA 3.3Å; D48-K52 WeakPolarHBondContact O-CA 3.28Å; D48-K52 PolarHBondContact O-N 3.49Å; D48-L53 PolarHBondContact N-O 3.3Å; D48-V55 HydrophobicContact CB-CG1 4.21Å; D48-V55 HydrophobicContact CB-CG2 4.48Å
49	R	96.4	Very high	93.6	Very high	118 Å²	118	46.1 Å²	46.1	45%	0.445	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.7	-177.6	-68.3	-179	-174.3	-168.7	-1.9	113.5	P27 R28 S30 Y47 K52	P27-R49 VanDerWaalsContact O-CD 3.28Å; P27-R49 WeakPolarHBondContact O-CD 3.25Å; P27-R49 PolarHBondContact O-NE 2.84Å; R28-R49 WeakPolarHBondContact O-CB 3.3Å; R28-R49 VanDerWaalsContact O-CG 3.28Å; R28-R49 WeakPolarHBondContact O-CG 3.43Å; R28-R49 PolarHBondContact O-N 2.93Å; S30-R49 PolarHBondContact OG-NE 3.01Å; S30-R49 PolarHBondContact OG-NH2 3.11Å; Y47-R49 HydrophobicContact CD1-CG 4.14Å; Y47-R49 HydrophobicContact CE1-CG 4.38Å; Y47-R49 PolarHBondContact O-N 3.49Å; R49-K52 WeakPolarHBondContact O-CD 3.44Å; R49-K52 WeakPolarHBondContact O-CE 3.45Å; R49-K52 PolarHBondContact O-NZ 2.65Å
50	D	95.6	Very high	95	Very high	108 Å²	108	42.3 Å²	42.3	58%	0.578	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-50	-178	-64.7	-9.7	0	0	0	109.5	R28 D48	R28-D50 WeakPolarHBondContact CD-OD2 3.49Å; R28-D50 IonicContact CZ-OD2 3.82Å; R28-D50 IonicContact NE-OD2 2.74Å; R28-D50 PolarHBondContact NE-OD2 2.93Å; D48-D50 VanDerWaalsContact C-N 3.25Å; D48-D50 PolarHBondContact O-N 2.76Å; D48-D50 PolarHBondContact OD1-N 3.43Å
51	N	96.4	Very high	96.1	Very high	96 Å²	96	43.5 Å²	43.5	51%	0.513	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.7	-179.5	-64.7	-47.9	0	0	0	114.5	R28 D48 L53	R28-N51 PolarHBondContact NH2-ND2 3.49Å; R28-N51 VanDerWaalsContact NH2-ND2 3.16Å; D48-N51 HydrophobicContact CB-CB 4.49Å; D48-N51 PolarHBondContact OD1-N 2.92Å; D48-N51 PolarHBondContact OD2-ND2 2.81Å; N51-L53 VanDerWaalsContact C-N 3.25Å; N51-L53 HydrophobicContact CB-CD2 3.78Å; N51-L53 HydrophobicContact CB-CG 3.94Å; N51-L53 PolarHBondContact O-N 3.33Å
52	K	96.9	Very high	96.6	Very high	140 Å²	140	42.8 Å²	42.8	61%	0.609	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	30.9	179	-52.5	-59.4	-177.8	-165	0	114.6	Y47 D48 R49	Y47-K52 WeakPolarHBondContact OH-CA 3.28Å; Y47-K52 WeakPolarHBondContact OH-CD 3.33Å; D48-K52 VanDerWaalsContact O-CA 3.3Å; D48-K52 WeakPolarHBondContact O-CA 3.28Å; D48-K52 PolarHBondContact O-N 3.49Å; R49-K52 WeakPolarHBondContact O-CD 3.44Å; R49-K52 WeakPolarHBondContact O-CE 3.45Å; R49-K52 PolarHBondContact O-NZ 2.65Å
53	L	96.7	Very high	96.6	Very high	85 Å²	85	43.8 Å²	43.8	45%	0.445	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	162.5	-178.8	65.3	89.4	0	0	0	111.8	D48 N51 V55	D48-L53 PolarHBondContact N-O 3.3Å; N51-L53 VanDerWaalsContact C-N 3.25Å; N51-L53 HydrophobicContact CB-CD2 3.78Å; N51-L53 HydrophobicContact CB-CG 3.94Å; N51-L53 PolarHBondContact O-N 3.33Å; L53-V55 HydrophobicContact CD1-CG1 3.47Å; L53-V55 VanDerWaalsContact CD1-CG1 3.47Å
54	R	97.5	Very high	96.4	Very high	114 Å²	114	48.7 Å²	48.7	43%	0.43	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	137.7	173.8	-65.2	-172.4	73.9	88.5	4.1	110.6	S45 A46 Y47 L111	S45-R54 PolarHBondContact OG-NH2 3.22Å; A46-R54 CarbonylContact O-C 3.53Å; A46-R54 VanDerWaalsContact O-CA 3.25Å; A46-R54 WeakPolarHBondContact O-CA 3.22Å; Y47-R54 HydrophobicContact CD2-CG 4.44Å; R54-L111 HydrophobicContact CB-CD2 3.58Å
55	V	98.3	Very high	96.1	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	162.8	179	-64.6	0	0	0	0	110.4	Y29 S45 A46 D48 L53 I57 V108	Y29-V55 HydrophobicContact CD1-CG2 3.75Å; Y29-V55 HydrophobicContact CE1-CG2 3.88Å; S45-V55 CarbonylContact C-O 3.48Å; S45-V55 WeakPolarHBondContact CA-O 3.45Å; A46-V55 HydrophobicContact CB-CG2 4.32Å; A46-V55 PolarHBondContact N-O 3.31Å; A46-V55 PolarHBondContact O-N 2.87Å; D48-V55 HydrophobicContact CB-CG1 4.21Å; D48-V55 HydrophobicContact CB-CG2 4.48Å; L53-V55 HydrophobicContact CD1-CG1 3.47Å; L53-V55 VanDerWaalsContact CD1-CG1 3.47Å; V55-I57 HydrophobicContact CG2-CD1 4.36Å; V55-I57 HydrophobicContact CG2-CG1 4.05Å; V55-V108 HydrophobicContact CB-CG1 3.78Å; V55-V108 HydrophobicContact CG1-CG1 4.08Å; V55-V108 HydrophobicContact CG2-CG1 3.75Å
56	A	97.9	Very high	95.8	Very high	10 Å²	10	56.8 Å²	56.8	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.2	164.2	0	0	0	0	0	109.7	V43 C44 V108 Q109 L111	V43-A56 HydrophobicContact CG1-CB 4.38Å; C44-A56 CarbonylContact O-C 3.43Å; A56-V108 CarbonylContact O-C 3.59Å; A56-V108 WeakPolarHBondContact O-CA 3.37Å; A56-Q109 PolarHBondContact N-O 3.22Å; A56-Q109 PolarHBondContact O-N 3.21Å; A56-L111 HydrophobicContact CB-CD1 4.13Å
57	I	97.9	Very high	95.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.1	175.5	-52.7	-173.2	0	0	0	108.7	V25 Y29 V43 C44 A46 V55 Y106 I107 V108	V25-I57 HydrophobicContact CB-CD1 4.32Å; V25-I57 HydrophobicContact CG1-CD1 4.45Å; V25-I57 HydrophobicContact CG1-CG2 4.24Å; V25-I57 HydrophobicContact CG2-CD1 4.28Å; Y29-I57 HydrophobicContact CD1-CD1 3.88Å; Y29-I57 HydrophobicContact CD2-CD1 4.19Å; Y29-I57 HydrophobicContact CG-CD1 3.6Å; V43-I57 WeakPolarHBondContact CA-O 3.42Å; C44-I57 PolarHBondContact N-O 3.25Å; C44-I57 PolarHBondContact O-N 2.71Å; A46-I57 HydrophobicContact CB-CD1 3.55Å; A46-I57 HydrophobicContact CB-CG1 4.07Å; V55-I57 HydrophobicContact CG2-CD1 4.36Å; V55-I57 HydrophobicContact CG2-CG1 4.05Å; I57-Y106 HydrophobicContact CG2-CD1 4.26Å; I57-I107 WeakPolarHBondContact CA-O 3.42Å; I57-V108 HydrophobicContact CD1-CG2 4.39Å; I57-V108 HydrophobicContact CG1-CG1 4.46Å; I57-V108 HydrophobicContact CG1-CG2 4.18Å
58	K	96.2	Very high	95	Very high	27 Å²	27	59.9 Å²	59.9	12%	0.117	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.2	175.2	-178	-178.1	-176.5	-172	0	109	V43 I60 E75 Y106 I107	V43-K58 HydrophobicContact CG2-CB 4.16Å; V43-K58 HydrophobicContact CG2-CG 4.04Å; K58-I60 HydrophobicContact CD-CD1 4.02Å; K58-I60 HydrophobicContact CD-CG1 4.28Å; K58-I60 HydrophobicContact CG-CD1 4.19Å; K58-I60 HydrophobicContact CG-CG1 3.91Å; K58-E75 IonicContact NZ-OE1 2.89Å; K58-E75 PolarHBondContact NZ-OE1 3.42Å; K58-E75 IonicContact NZ-OE2 3.46Å; K58-E75 PolarHBondContact NZ-OE2 3.49Å; K58-Y106 WeakPolarHBondContact O-CA 3.28Å; K58-I107 HydrophobicContact CB-CB 4.48Å; K58-I107 PolarHBondContact N-O 3.47Å; K58-I107 PolarHBondContact O-N 3.45Å
59	K	96.7	Very high	94.8	Very high	16 Å²	16	59.8 Å²	59.8	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.6	170.2	179.8	-179.1	-173.3	173.8	0	109.7	A22 F23 G41 M42 D104 Y106	A22-K59 PolarHBondContact O-NZ 3.07Å; F23-K59 HydrophobicContact CD1-CB 4.26Å; F23-K59 HydrophobicContact CD2-CD 4.24Å; F23-K59 HydrophobicContact CE1-CB 3.52Å; F23-K59 HydrophobicContact CE2-CB 4.22Å; F23-K59 HydrophobicContact CE2-CD 4.01Å; F23-K59 HydrophobicContact CZ-CB 3.49Å; F23-K59 VanDerWaalsContact CZ-CB 3.49Å; F23-K59 HydrophobicContact CZ-CD 4.16Å; F23-K59 HydrophobicContact CZ-CG 4.41Å; G41-K59 CarbonylContact C-O 3.59Å; G41-K59 WeakPolarHBondContact CA-O 3.27Å; M42-K59 PolarHBondContact N-O 3.48Å; M42-K59 PolarHBondContact O-N 2.99Å; K59-D104 VanDerWaalsContact CE-OD1 3.26Å; K59-D104 WeakPolarHBondContact CE-OD1 3.38Å; K59-D104 WeakPolarHBondContact CE-OD2 3.29Å; K59-D104 IonicContact NZ-OD1 3.83Å; K59-D104 IonicContact NZ-OD2 3.33Å; K59-D104 PolarHBondContact NZ-OD2 2.85Å; K59-Y106 HydrophobicContact CB-CD1 3.77Å; K59-Y106 HydrophobicContact CB-CE1 3.83Å; K59-Y106 HydrophobicContact CD-CD1 4.47Å; K59-Y106 HydrophobicContact CD-CE1 3.65Å; K59-Y106 HydrophobicContact CG-CD1 3.9Å; K59-Y106 HydrophobicContact CG-CE1 3.53Å
60	I	94.8	Very high	94.5	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133	179.9	-47.7	-177.5	0	0	0	109.4	Y40 K58 P62 T72 D104 V105 I107	Y40-I60 HydrophobicContact CD2-CG2 3.35Å; Y40-I60 HydrophobicContact CE2-CD1 4.41Å; Y40-I60 HydrophobicContact CE2-CG2 3.44Å; Y40-I60 VanDerWaalsContact CE2-CG2 3.44Å; K58-I60 HydrophobicContact CD-CD1 4.02Å; K58-I60 HydrophobicContact CD-CG1 4.28Å; K58-I60 HydrophobicContact CG-CD1 4.19Å; K58-I60 HydrophobicContact CG-CG1 3.91Å; I60-P62 VanDerWaalsContact C-CD 3.48Å; I60-P62 HydrophobicContact CG2-CB 4.11Å; I60-P62 HydrophobicContact CG2-CG 4.13Å; I60-P62 WeakPolarHBondContact O-CD 3.36Å; I60-T72 HydrophobicContact CD1-CG2 4.35Å; I60-D104 CarbonylContact O-C 3.56Å; I60-D104 WeakPolarHBondContact O-CA 3.42Å; I60-V105 PolarHBondContact N-O 3.37Å; I60-V105 PolarHBondContact O-N 3.38Å; I60-I107 HydrophobicContact CD1-CD1 3.64Å; I60-I107 HydrophobicContact CD1-CG1 4.24Å
61	S	94.4	Very high	94.3	Very high	56 Å²	56	52.2 Å²	52.2	39%	0.392	25%	0.25	S	C	.	.			trans	-119.7	68.7	177.1	-48.1	0	0	0	0	110.6	D104	S61-D104 WeakPolarHBondContact CB-OD1 3.48Å; S61-D104 PolarHBondContact OG-OD1 3.17Å
62	P	93.6	Very high	94.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.			trans	-86.9	-16	-163.2	34.8	-34.7	0	0	0	114.3	I60 E64 H65 C69 T72	I60-P62 VanDerWaalsContact C-CD 3.48Å; I60-P62 HydrophobicContact CG2-CB 4.11Å; I60-P62 HydrophobicContact CG2-CG 4.13Å; I60-P62 WeakPolarHBondContact O-CD 3.36Å; P62-E64 PolarHBondContact O-N 2.96Å; P62-H65 PolarHBondContact O-N 3.37Å; P62-H65 VanDerWaalsContact O-N 3.12Å; P62-C69 PolarHBondContact O-SG 2.96Å; P62-C69 VanDerWaalsContact O-SG 3.39Å; P62-T72 WeakPolarHBondContact CB-OG1 3.42Å; P62-T72 HydrophobicContact CG-CG2 4.34Å
63	F	95	Very high	94.1	Very high	22 Å²	22	41 Å²	41	10%	0.096	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.5	-159.6	-53.4	-59.5	0	0	0	116	M102 K103 V105 K348 I351	F63-M102 HydrophobicContact CE1-CE 3.96Å; F63-M102 HydrophobicContact CE2-CE 4.2Å; F63-M102 HydrophobicContact CE2-CG 3.78Å; F63-M102 HydrophobicContact CE2-SD 4.38Å; F63-M102 HydrophobicContact CZ-CE 3.53Å; F63-M102 HydrophobicContact CZ-CG 3.95Å; F63-M102 HydrophobicContact CZ-SD 3.93Å; F63-K103 VanDerWaalsContact CD2-O 3.25Å; F63-K103 WeakPolarHBondContact CD2-O 3.44Å; F63-V105 HydrophobicContact CE2-CG2 4.18Å; F63-V105 HydrophobicContact CZ-CG2 3.74Å; F63-K348 HydrophobicContact CB-CD 4.33Å; F63-K348 HydrophobicContact CD1-CB 3.78Å; F63-K348 HydrophobicContact CD1-CD 3.85Å; F63-K348 HydrophobicContact CD1-CG 3.53Å; F63-K348 HydrophobicContact CE1-CB 4.04Å; F63-K348 HydrophobicContact CE1-CD 4.31Å; F63-K348 HydrophobicContact CE1-CG 3.61Å; F63-K348 HydrophobicContact CG-CD 3.98Å; F63-K348 HydrophobicContact CG-CG 4.17Å; F63-K348 HydrophobicContact CZ-CG 4.31Å; F63-I351 HydrophobicContact CE1-CB 4.49Å; F63-I351 HydrophobicContact CE1-CD1 3.89Å; F63-I351 HydrophobicContact CE1-CG2 4.36Å; F63-I351 HydrophobicContact CZ-CG2 4.32Å
64	E	91.4	Very high	93.9	Very high	139 Å²	139	37.2 Å²	37.2	65%	0.65	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-21.5	173.1	-65.2	-55.8	148.9	0	0	113	P62 K344	P62-E64 PolarHBondContact O-N 2.96Å; E64-K344 PolarHBondContact O-NZ 2.89Å
65	H	91	Very high	93.8	Very high	105 Å²	105	31.9 Å²	31.9	49%	0.486	16%	0.156	S	C	.	.			trans	-132.6	125.8	-172.6	-58.6	-69.9	0	0	0	112.2	P62 T67 Y68 C69	P62-H65 PolarHBondContact O-N 3.37Å; P62-H65 VanDerWaalsContact O-N 3.12Å; H65-T67 VanDerWaalsContact C-N 3.31Å; H65-T67 PolarHBondContact O-N 2.86Å; H65-Y68 HydrophobicContact CB-CD2 3.75Å; H65-Y68 HydrophobicContact CB-CE2 4.24Å; H65-Y68 HydrophobicContact CB-CG 3.96Å; H65-Y68 AromaticContact CD2-CD2 3.54Å; H65-Y68 AromaticContact CD2-CE2 3.43Å; H65-Y68 VanDerWaalsContact CD2-CE2 3.43Å; H65-Y68 WeakPolarHBondContact CD2-CE2 3.49Å; H65-Y68 AromaticContact CG-CD2 3.98Å; H65-Y68 PolarHBondContact O-N 2.89Å; H65-C69 PolarHBondContact O-N 3.23Å
66	Q	90.4	Very high	93.7	Very high	77 Å²	77	31.7 Å²	31.7	36%	0.36	16%	0.155	S	C	.	.	H	α-helix	trans	-52	-47.3	177.6	-172.4	-170.6	1.6	0	0	112.2	Y68 C69 Q70 L342 K344 L347	Q66-Y68 PolarHBondContact O-N 3.28Å; Q66-C69 PolarHBondContact O-N 3.45Å; Q66-Q70 WeakPolarHBondContact O-CB 3.38Å; Q66-Q70 WeakPolarHBondContact O-CG 3.21Å; Q66-Q70 PolarHBondContact O-N 3.35Å; Q66-L342 WeakPolarHBondContact CG-O 3.45Å; Q66-L342 PolarHBondContact NE2-O 3.4Å; Q66-K344 HydrophobicContact CB-CB 4.28Å; Q66-L347 HydrophobicContact CG-CD1 3.95Å
67	T	88.6	Confident	93.5	Very high	71 Å²	71	33 Å²	33	44%	0.436	16%	0.159	S	C	.	.	H	α-helix	trans	-59.1	-34.9	179.1	-44.6	0	0	0	0	112.6	H65 R71	H65-T67 VanDerWaalsContact C-N 3.31Å; H65-T67 PolarHBondContact O-N 2.86Å; T67-R71 VanDerWaalsContact O-CG 3.23Å; T67-R71 WeakPolarHBondContact O-CG 3.16Å; T67-R71 PolarHBondContact O-N 3.48Å; T67-R71 VanDerWaalsContact O-N 3.13Å
68	Y	91.1	Very high	93.4	Very high	69 Å²	69	33 Å²	33	27%	0.271	16%	0.159	S	C	.	.	H	α-helix	trans	-76.2	-42.9	178.6	-63.2	-13	0	0	0	111	Y40 H65 Q66 Q70 R71 T72	Y40-Y68 HydrophobicContact CG-CD1 4.38Å; Y40-Y68 HydrophobicContact CG-CG 4.3Å; H65-Y68 HydrophobicContact CB-CD2 3.75Å; H65-Y68 HydrophobicContact CB-CE2 4.24Å; H65-Y68 HydrophobicContact CB-CG 3.96Å; H65-Y68 AromaticContact CD2-CD2 3.54Å; H65-Y68 AromaticContact CD2-CE2 3.43Å; H65-Y68 VanDerWaalsContact CD2-CE2 3.43Å; H65-Y68 WeakPolarHBondContact CD2-CE2 3.49Å; H65-Y68 AromaticContact CG-CD2 3.98Å; H65-Y68 PolarHBondContact O-N 2.89Å; Q66-Y68 PolarHBondContact O-N 3.28Å; Y68-Q70 VanDerWaalsContact C-N 3.28Å; Y68-Q70 PolarHBondContact O-N 2.75Å; Y68-R71 PolarHBondContact O-N 2.78Å; Y68-R71 VanDerWaalsContact O-N 3.16Å; Y68-T72 PolarHBondContact O-N 3Å; Y68-T72 PolarHBondContact O-OG1 3.04Å
69	C	94.1	Very high	93.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.7	-45.6	172.6	-65.2	0	0	0	0	111.6	P62 H65 Q66 R71 T72 L73 L347 I351	P62-C69 PolarHBondContact O-SG 2.96Å; P62-C69 VanDerWaalsContact O-SG 3.39Å; H65-C69 PolarHBondContact O-N 3.23Å; Q66-C69 PolarHBondContact O-N 3.45Å; C69-R71 PolarHBondContact O-N 2.9Å; C69-T72 PolarHBondContact O-N 2.96Å; C69-L73 WeakPolarHBondContact O-CB 3.47Å; C69-L73 PolarHBondContact O-N 3.39Å; C69-L347 HydrophobicContact CB-CB 3.6Å; C69-L347 HydrophobicContact CB-CD1 3.83Å; C69-L347 HydrophobicContact CB-CG 4.35Å; C69-I351 HydrophobicContact CB-CD1 4.34Å
70	Q	90.6	Very high	93.4	Very high	16 Å²	16	33.6 Å²	33.6	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-45	176.4	-77.6	-178.7	-3	0	0	112.9	Q66 Y68 R74 L339 D340 L347	Q66-Q70 WeakPolarHBondContact O-CB 3.38Å; Q66-Q70 WeakPolarHBondContact O-CG 3.21Å; Q66-Q70 PolarHBondContact O-N 3.35Å; Y68-Q70 VanDerWaalsContact C-N 3.28Å; Y68-Q70 PolarHBondContact O-N 2.75Å; Q70-R74 WeakPolarHBondContact O-CB 3.29Å; Q70-R74 VanDerWaalsContact O-CG 3.26Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 3.26Å; Q70-R74 VanDerWaalsContact O-N 3.09Å; Q70-R74 PolarHBondContact O-NH1 3.29Å; Q70-L339 PolarHBondContact NE2-O 3.4Å; Q70-D340 VanDerWaalsContact NE2-C 3.33Å; Q70-D340 PolarHBondContact NE2-O 3.4Å; Q70-L347 HydrophobicContact CB-CD1 4.48Å; Q70-L347 HydrophobicContact CG-CD1 3.52Å; Q70-L347 HydrophobicContact CG-CD2 4.22Å
71	R	90.9	Very high	93.4	Very high	51 Å²	51	39.2 Å²	39.2	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-45.9	177.9	-71.9	175.4	-178.1	-164.7	2.2	111.1	T67 Y68 C69 R74 E75 G173	T67-R71 VanDerWaalsContact O-CG 3.23Å; T67-R71 WeakPolarHBondContact O-CG 3.16Å; T67-R71 PolarHBondContact O-N 3.48Å; T67-R71 VanDerWaalsContact O-N 3.13Å; Y68-R71 PolarHBondContact O-N 2.78Å; Y68-R71 VanDerWaalsContact O-N 3.16Å; C69-R71 PolarHBondContact O-N 2.9Å; R71-R74 PolarHBondContact O-N 3.39Å; R71-E75 WeakPolarHBondContact O-CB 3.49Å; R71-E75 PolarHBondContact O-N 2.98Å; R71-G173 WeakPolarHBondContact CA-O 3.26Å; R71-G173 WeakPolarHBondContact CG-O 3.42Å
72	T	94.4	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-48.5	178	-57.6	0	0	0	0	111.8	I60 P62 Y68 C69 R74 E75 I76 I351	I60-T72 HydrophobicContact CD1-CG2 4.35Å; P62-T72 WeakPolarHBondContact CB-OG1 3.42Å; P62-T72 HydrophobicContact CG-CG2 4.34Å; Y68-T72 PolarHBondContact O-N 3Å; Y68-T72 PolarHBondContact O-OG1 3.04Å; C69-T72 PolarHBondContact O-N 2.96Å; T72-R74 PolarHBondContact O-N 3.42Å; T72-E75 PolarHBondContact O-N 3.35Å; T72-I76 HydrophobicContact CG2-CD1 3.81Å; T72-I76 WeakPolarHBondContact O-CG1 3.46Å; T72-I76 PolarHBondContact O-N 3.02Å; T72-I351 HydrophobicContact CG2-CD1 4.05Å
73	L	95.1	Very high	93.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-42.2	-179.8	-177.7	60.2	0	0	0	111.8	C69 I76 K77 L339 L347 L350 I351 E354	C69-L73 WeakPolarHBondContact O-CB 3.47Å; C69-L73 PolarHBondContact O-N 3.39Å; L73-I76 PolarHBondContact O-N 3.06Å; L73-K77 HydrophobicContact CD1-CD 4.08Å; L73-K77 HydrophobicContact CD1-CG 4.1Å; L73-K77 HydrophobicContact CG-CD 4.27Å; L73-K77 WeakPolarHBondContact O-CG 3.43Å; L73-K77 PolarHBondContact O-N 3.44Å; L73-L339 HydrophobicContact CD2-CD1 4.16Å; L73-L339 HydrophobicContact CD2-CD2 3.79Å; L73-L339 HydrophobicContact CG-CD1 4.43Å; L73-L347 HydrophobicContact CD2-CD2 3.83Å; L73-L350 HydrophobicContact CD1-CB 4.08Å; L73-L350 HydrophobicContact CD2-CB 3.71Å; L73-L350 HydrophobicContact CD2-CD1 3.82Å; L73-L350 HydrophobicContact CD2-CG 4.44Å; L73-I351 HydrophobicContact CB-CD1 4.31Å; L73-I351 HydrophobicContact CB-CG1 3.86Å; L73-I351 HydrophobicContact CD1-CG1 3.95Å; L73-I351 HydrophobicContact CG-CG1 4.42Å; L73-E354 HydrophobicContact CD1-CG 3.9Å
74	R	92.1	Very high	93.9	Very high	4 Å²	4	46 Å²	46	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-47.6	176	-71.5	-177.2	-147.9	109.1	0.3	111.9	Q70 R71 T72 I76 K77 I78 A175 R176 F335 L339 D340	Q70-R74 WeakPolarHBondContact O-CB 3.29Å; Q70-R74 VanDerWaalsContact O-CG 3.26Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 3.26Å; Q70-R74 VanDerWaalsContact O-N 3.09Å; Q70-R74 PolarHBondContact O-NH1 3.29Å; R71-R74 PolarHBondContact O-N 3.39Å; T72-R74 PolarHBondContact O-N 3.42Å; R74-I76 VanDerWaalsContact C-N 3.33Å; R74-I76 PolarHBondContact O-N 3.24Å; R74-K77 PolarHBondContact O-N 3.24Å; R74-I78 WeakPolarHBondContact O-CB 3.42Å; R74-I78 VanDerWaalsContact O-CG1 3.23Å; R74-I78 WeakPolarHBondContact O-CG1 3.33Å; R74-I78 PolarHBondContact O-N 3.1Å; R74-A175 WeakPolarHBondContact CD-O 3.5Å; R74-R176 VanDerWaalsContact NH2-CZ 3.31Å; R74-F335 HydrophobicContact CB-CZ 4.32Å; R74-F335 HydrophobicContact CG-CE1 4.11Å; R74-F335 HydrophobicContact CG-CZ 3.79Å; R74-L339 HydrophobicContact CG-CD1 3.63Å; R74-D340 IonicContact CZ-OD1 2.67Å; R74-D340 IonicContact NH2-OD1 2.68Å; R74-D340 PolarHBondContact NH2-OD1 2.92Å
75	E	94.6	Very high	94.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-47	178.1	-176.2	172.8	-145.5	0	0	110.9	K58 R71 T72 L79 F172	K58-E75 IonicContact NZ-OE1 2.89Å; K58-E75 PolarHBondContact NZ-OE1 3.42Å; K58-E75 IonicContact NZ-OE2 3.46Å; K58-E75 PolarHBondContact NZ-OE2 3.49Å; R71-E75 WeakPolarHBondContact O-CB 3.49Å; R71-E75 PolarHBondContact O-N 2.98Å; T72-E75 PolarHBondContact O-N 3.35Å; E75-L79 HydrophobicContact CG-CD1 3.85Å; E75-L79 HydrophobicContact CG-CG 4.45Å; E75-L79 VanDerWaalsContact O-CB 3.3Å; E75-L79 WeakPolarHBondContact O-CB 3.47Å; E75-L79 VanDerWaalsContact O-CG 3.28Å; E75-L79 WeakPolarHBondContact O-CG 3.2Å; E75-L79 PolarHBondContact O-N 3.25Å; E75-F172 HydrophobicContact CG-CB 4.43Å
76	I	96.2	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-56.1	178	-68.8	170.9	0	0	0	111.1	T72 L73 R74 I78 L79 L80 I93 V105 I107 I351 E354 T355	T72-I76 HydrophobicContact CG2-CD1 3.81Å; T72-I76 WeakPolarHBondContact O-CG1 3.46Å; T72-I76 PolarHBondContact O-N 3.02Å; L73-I76 PolarHBondContact O-N 3.06Å; R74-I76 VanDerWaalsContact C-N 3.33Å; R74-I76 PolarHBondContact O-N 3.24Å; I76-I78 VanDerWaalsContact C-N 3.3Å; I76-I78 PolarHBondContact O-N 3.22Å; I76-L79 PolarHBondContact O-N 2.85Å; I76-L80 HydrophobicContact CG2-CD1 3.53Å; I76-L80 HydrophobicContact CG2-CG 4.19Å; I76-L80 WeakPolarHBondContact O-CB 3.43Å; I76-L80 WeakPolarHBondContact O-CG 3.46Å; I76-L80 PolarHBondContact O-N 2.88Å; I76-I93 HydrophobicContact CD1-CD1 4.49Å; I76-I93 HydrophobicContact CG1-CD1 4.39Å; I76-I93 HydrophobicContact CG2-CD1 4.04Å; I76-V105 HydrophobicContact CD1-CG1 4.48Å; I76-I107 HydrophobicContact CD1-CD1 4.42Å; I76-I107 HydrophobicContact CG1-CD1 3.95Å; I76-I351 HydrophobicContact CD1-CG2 4.31Å; I76-E354 HydrophobicContact CG2-CB 4.18Å; I76-T355 HydrophobicContact CD1-CG2 4.1Å
77	K	95.3	Very high	95	Very high	38 Å²	38	37.4 Å²	37.4	17%	0.165	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-39.1	-175.7	-71.9	-173.2	72.6	98.2	0	112.4	L73 R74 R81 F333 F335 D336 E354	L73-K77 HydrophobicContact CD1-CD 4.08Å; L73-K77 HydrophobicContact CD1-CG 4.1Å; L73-K77 HydrophobicContact CG-CD 4.27Å; L73-K77 WeakPolarHBondContact O-CG 3.43Å; L73-K77 PolarHBondContact O-N 3.44Å; R74-K77 PolarHBondContact O-N 3.24Å; K77-R81 PolarHBondContact O-N 3.17Å; K77-F333 HydrophobicContact CB-CZ 4.03Å; K77-F333 WeakPolarHBondContact O-CE2 3.4Å; K77-F335 HydrophobicContact CB-CE1 4.48Å; K77-F335 HydrophobicContact CD-CD1 4.4Å; K77-F335 HydrophobicContact CD-CE1 4.3Å; K77-D336 IonicContact NZ-OD2 3.27Å; K77-E354 HydrophobicContact CD-CG 4.34Å; K77-E354 HydrophobicContact CG-CG 3.93Å; K77-E354 IonicContact NZ-OE1 3.6Å; K77-E354 PolarHBondContact NZ-OE1 2.8Å
78	I	95.2	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-51.7	179.2	-67.1	170	0	0	0	110.6	R74 I76 L80 R81 F82 V149 F172 A175 F333 F335	R74-I78 WeakPolarHBondContact O-CB 3.42Å; R74-I78 VanDerWaalsContact O-CG1 3.23Å; R74-I78 WeakPolarHBondContact O-CG1 3.33Å; R74-I78 PolarHBondContact O-N 3.1Å; I76-I78 VanDerWaalsContact C-N 3.3Å; I76-I78 PolarHBondContact O-N 3.22Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 2.85Å; I78-R81 PolarHBondContact O-N 2.77Å; I78-F82 HydrophobicContact CG2-CD1 4.37Å; I78-F82 HydrophobicContact CG2-CD2 3.65Å; I78-F82 HydrophobicContact CG2-CE1 4.23Å; I78-F82 HydrophobicContact CG2-CE2 3.47Å; I78-F82 VanDerWaalsContact CG2-CE2 3.47Å; I78-F82 HydrophobicContact CG2-CG 4.13Å; I78-F82 HydrophobicContact CG2-CZ 3.81Å; I78-F82 WeakPolarHBondContact O-CG 3.25Å; I78-F82 PolarHBondContact O-N 2.72Å; I78-V149 HydrophobicContact CD1-CG1 4.23Å; I78-F172 HydrophobicContact CG2-CB 4.48Å; I78-F172 HydrophobicContact CG2-CD1 3.69Å; I78-F172 HydrophobicContact CG2-CE1 4.19Å; I78-F172 HydrophobicContact CG2-CG 4.22Å; I78-A175 HydrophobicContact CD1-CB 3.55Å; I78-F333 HydrophobicContact CG1-CE1 4.15Å; I78-F333 HydrophobicContact CG1-CE2 4.15Å; I78-F333 HydrophobicContact CG1-CZ 3.88Å; I78-F335 HydrophobicContact CD1-CZ 4.38Å; I78-F335 HydrophobicContact CG1-CZ 4.41Å
79	L	96.8	Very high	95.7	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-26.6	-175	-68.3	-175.7	0	0	0	113.5	E75 I76 R81 I87 I88 I90 F172	E75-L79 HydrophobicContact CG-CD1 3.85Å; E75-L79 HydrophobicContact CG-CG 4.45Å; E75-L79 VanDerWaalsContact O-CB 3.3Å; E75-L79 WeakPolarHBondContact O-CB 3.47Å; E75-L79 VanDerWaalsContact O-CG 3.28Å; E75-L79 WeakPolarHBondContact O-CG 3.2Å; E75-L79 PolarHBondContact O-N 3.25Å; I76-L79 PolarHBondContact O-N 2.85Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-I87 HydrophobicContact CD2-CG2 4.01Å; L79-I88 HydrophobicContact CD1-CG2 4.09Å; L79-I88 HydrophobicContact CD2-CG2 4.3Å; L79-I88 VanDerWaalsContact CD2-O 3.28Å; L79-I88 WeakPolarHBondContact CD2-O 3.12Å; L79-I90 HydrophobicContact CB-CD1 3.66Å; L79-I90 HydrophobicContact CB-CG1 3.78Å; L79-I90 HydrophobicContact CD1-CD1 4.2Å; L79-I90 HydrophobicContact CD1-CG1 4.09Å; L79-F172 HydrophobicContact CD2-CD2 3.47Å; L79-F172 VanDerWaalsContact CD2-CD2 3.47Å; L79-F172 HydrophobicContact CD2-CE2 3.64Å; L79-F172 HydrophobicContact CD2-CG 4.08Å; L79-F172 HydrophobicContact CD2-CZ 4.36Å; L79-F172 HydrophobicContact CG-CD2 4.16Å
80	L	95.8	Very high	95.9	Very high	51 Å²	51	32.8 Å²	32.8	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-69.9	-27.1	171.4	-70.2	176.4	0	0	0	112.9	I76 I78 I90 F358	I76-L80 HydrophobicContact CG2-CD1 3.53Å; I76-L80 HydrophobicContact CG2-CG 4.19Å; I76-L80 WeakPolarHBondContact O-CB 3.43Å; I76-L80 WeakPolarHBondContact O-CG 3.46Å; I76-L80 PolarHBondContact O-N 2.88Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 2.85Å; L80-I90 HydrophobicContact CD2-CB 4.14Å; L80-I90 HydrophobicContact CD2-CD1 4.45Å; L80-I90 HydrophobicContact CD2-CG2 4.15Å; L80-I90 HydrophobicContact CG-CD1 4.4Å; L80-F358 HydrophobicContact CD1-CE2 4.25Å; L80-F358 HydrophobicContact CD2-CE2 3.6Å; L80-F358 HydrophobicContact CD2-CZ 3.42Å; L80-F358 VanDerWaalsContact CD2-CZ 3.42Å
81	R	95.4	Very high	96.2	Very high	117 Å²	117	35.5 Å²	35.5	44%	0.442	16%	0.164	S	C	.	.	H	α-helix	trans	-88	-26.7	177.5	-173.6	57.3	178.5	129.8	0.4	112.6	K77 I78 L79 E330 F333	K77-R81 PolarHBondContact O-N 3.17Å; I78-R81 PolarHBondContact O-N 2.77Å; L79-R81 VanDerWaalsContact C-N 3.3Å; R81-E330 IonicContact CZ-OE2 2.85Å; R81-E330 IonicContact NH1-OE2 3.72Å; R81-E330 PolarHBondContact NH1-OE2 3.47Å; R81-E330 IonicContact NH2-OE2 2.84Å; R81-E330 PolarHBondContact NH2-OE2 2.97Å; R81-F333 HydrophobicContact CB-CD2 4.21Å; R81-F333 HydrophobicContact CB-CE2 3.99Å; R81-F333 HydrophobicContact CG-CD2 4.15Å; R81-F333 HydrophobicContact CG-CE2 4.35Å
82	F	97.1	Very high	96.5	Very high	16 Å²	16	33.6 Å²	33.6	7%	0.07	16%	0.158	C	C	.	.			trans	-84.6	135	-175.9	-75.4	6	0	0	0	112.1	I78 I87 Y143 I144 A147 V149 F172	I78-F82 HydrophobicContact CG2-CD1 4.37Å; I78-F82 HydrophobicContact CG2-CD2 3.65Å; I78-F82 HydrophobicContact CG2-CE1 4.23Å; I78-F82 HydrophobicContact CG2-CE2 3.47Å; I78-F82 VanDerWaalsContact CG2-CE2 3.47Å; I78-F82 HydrophobicContact CG2-CG 4.13Å; I78-F82 HydrophobicContact CG2-CZ 3.81Å; I78-F82 WeakPolarHBondContact O-CG 3.25Å; I78-F82 PolarHBondContact O-N 2.72Å; F82-I87 HydrophobicContact CD2-CD1 3.9Å; F82-I87 HydrophobicContact CD2-CG2 4.36Å; F82-I87 HydrophobicContact CE2-CD1 4.47Å; F82-Y143 HydrophobicContact CB-CE1 4.01Å; F82-Y143 AromaticContact CD1-CE1 3.8Å; F82-Y143 HydrophobicContact CD1-CE1 3.8Å; F82-Y143 HydrophobicContact CD2-CD1 4.49Å; F82-Y143 HydrophobicContact CD2-CE1 4.31Å; F82-Y143 HydrophobicContact CE1-CE1 4.29Å; F82-Y143 HydrophobicContact CG-CD1 4.4Å; F82-Y143 AromaticContact CG-CE1 3.79Å; F82-Y143 HydrophobicContact CG-CE1 3.79Å; F82-I144 HydrophobicContact CE2-CB 4.35Å; F82-I144 HydrophobicContact CE2-CG1 3.93Å; F82-I144 HydrophobicContact CE2-CG2 4.31Å; F82-A147 HydrophobicContact CE1-CB 3.58Å; F82-A147 HydrophobicContact CZ-CB 3.73Å; F82-V149 HydrophobicContact CE1-CG2 4.44Å; F82-V149 HydrophobicContact CZ-CB 4Å; F82-V149 HydrophobicContact CZ-CG1 4.35Å; F82-V149 HydrophobicContact CZ-CG2 3.81Å; F82-F172 HydrophobicContact CD2-CE1 4.18Å; F82-F172 HydrophobicContact CD2-CZ 4.43Å; F82-F172 AromaticContact CE2-CE1 3.89Å; F82-F172 HydrophobicContact CE2-CE1 3.89Å
83	K	97.2	Very high	96.7	Very high	188 Å²	188	33.7 Å²	33.7	82%	0.817	16%	0.159	S	C	*	.			trans	-139	95.6	174.3	-171.4	179.9	-178.6	-177.4	0	108.9	Y143	K83-Y143 PolarHBondContact N-OH 3.14Å
84	H	98.5	Very high	96.8	Very high	18 Å²	18	35.2 Å²	35.2	8%	0.083	17%	0.167	C	C	.	.			trans	-150.6	143	-176.6	-171.4	-89.1	0	0	0	110	N86 I87 Y143	H84-N86 VanDerWaalsContact C-N 3.3Å; H84-N86 PolarHBondContact CE1-OD1 3Å; H84-N86 VanDerWaalsContact CE1-OD1 3.28Å; H84-N86 PolarHBondContact ND1-N 3.35Å; H84-N86 PolarHBondContact O-N 3.28Å; H84-I87 HydrophobicContact CB-CB 4.17Å; H84-I87 HydrophobicContact CB-CD1 3.8Å; H84-I87 HydrophobicContact CB-CG1 3.95Å; H84-I87 PolarHBondContact O-N 3.45Å; H84-I87 VanDerWaalsContact O-O 3.06Å; H84-Y143 HydrophobicContact CB-CD1 4.06Å; H84-Y143 HydrophobicContact CB-CD2 4.11Å; H84-Y143 HydrophobicContact CB-CE1 4.37Å; H84-Y143 HydrophobicContact CB-CE2 4.39Å; H84-Y143 HydrophobicContact CB-CG 3.93Å; H84-Y143 AromaticContact CD2-CD2 3.54Å; H84-Y143 AromaticContact CD2-CG 3.66Å; H84-Y143 AromaticContact CG-CG 3.93Å
85	E	98.3	Very high	97	Very high	126 Å²	126	36 Å²	36	59%	0.589	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.8	-175.7	-65.4	171.6	148.7	0	0	112.3	I87 R139 K168	E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.02Å; E85-R139 IonicContact OE2-CZ 2.89Å; E85-R139 IonicContact OE2-NH1 3.54Å; E85-R139 PolarHBondContact OE2-NH1 3.4Å; E85-R139 IonicContact OE2-NH2 3.07Å; E85-R139 PolarHBondContact OE2-NH2 3.02Å; E85-R139 VanDerWaalsContact OE2-NH2 3.14Å; E85-K168 WeakPolarHBondContact O-CG 3.31Å; E85-K168 PolarHBondContact O-NZ 2.83Å
86	N	98.8	Very high	97.1	Very high	8 Å²	8	37 Å²	37	4%	0.043	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	16.4	178.9	-50.5	108.7	0	0	0	114.9	H84 Q136 R139 L167 I169	H84-N86 VanDerWaalsContact C-N 3.3Å; H84-N86 PolarHBondContact CE1-OD1 3Å; H84-N86 VanDerWaalsContact CE1-OD1 3.28Å; H84-N86 PolarHBondContact ND1-N 3.35Å; H84-N86 PolarHBondContact O-N 3.28Å; N86-Q136 WeakPolarHBondContact CB-O 3.39Å; N86-Q136 PolarHBondContact ND2-OE1 3.45Å; N86-Q136 VanDerWaalsContact ND2-OE1 3.15Å; N86-R139 WeakPolarHBondContact OD1-CD 3.45Å; N86-R139 PolarHBondContact OD1-NH1 2.89Å; N86-L167 WeakPolarHBondContact CA-O 2.96Å; N86-L167 WeakPolarHBondContact CB-O 3.33Å; N86-L167 PolarHBondContact ND2-O 3.35Å; N86-I169 PolarHBondContact O-N 3.31Å
87	I	98.7	Very high	96.9	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-125.5	138.5	173.5	-57.4	176	0	0	0	108.1	L79 F82 H84 E85 Y143 I144 F172	L79-I87 HydrophobicContact CD2-CG2 4.01Å; F82-I87 HydrophobicContact CD2-CD1 3.9Å; F82-I87 HydrophobicContact CD2-CG2 4.36Å; F82-I87 HydrophobicContact CE2-CD1 4.47Å; H84-I87 HydrophobicContact CB-CB 4.17Å; H84-I87 HydrophobicContact CB-CD1 3.8Å; H84-I87 HydrophobicContact CB-CG1 3.95Å; H84-I87 PolarHBondContact O-N 3.45Å; H84-I87 VanDerWaalsContact O-O 3.06Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.02Å; I87-Y143 HydrophobicContact CD1-CD1 3.59Å; I87-Y143 HydrophobicContact CD1-CE1 4.34Å; I87-Y143 HydrophobicContact CD1-CG 4.28Å; I87-I144 HydrophobicContact CD1-CD1 4.11Å; I87-I144 HydrophobicContact CD1-CG1 3.55Å; I87-I144 HydrophobicContact CG1-CD1 4.43Å; I87-I144 HydrophobicContact CG1-CG1 4.39Å; I87-F172 HydrophobicContact CG2-CE2 3.78Å; I87-F172 HydrophobicContact CG2-CZ 3.71Å
88	I	98	Very high	97	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.212	C	C	.	.			trans	-67.2	134.7	176.2	-164	64.5	0	0	0	110.7	L79 Q109 D110 L160 K168 I169 C170	L79-I88 HydrophobicContact CD1-CG2 4.09Å; L79-I88 HydrophobicContact CD2-CG2 4.3Å; L79-I88 VanDerWaalsContact CD2-O 3.28Å; L79-I88 WeakPolarHBondContact CD2-O 3.12Å; I88-Q109 HydrophobicContact CD1-CB 4.22Å; I88-Q109 HydrophobicContact CG1-CB 3.99Å; I88-Q109 HydrophobicContact CG1-CG 4.44Å; I88-D110 HydrophobicContact CD1-CB 3.96Å; I88-L160 HydrophobicContact CD1-CD1 4.31Å; I88-K168 HydrophobicContact CB-CB 4.49Å; I88-K168 HydrophobicContact CD1-CD 3.81Å; I88-I169 WeakPolarHBondContact CG2-O 3.05Å; I88-I169 PolarHBondContact N-O 2.78Å; I88-C170 HydrophobicContact CB-CB 4.16Å; I88-C170 HydrophobicContact CG2-CB 3.63Å
89	G	97.1	Very high	97	Very high	19 Å²	19	43.4 Å²	43.4	20%	0.196	22%	0.222	C	C	.	.			trans	-89.9	173.5	175.9	0	0	0	0	0	113.5	Q109	G89-Q109 WeakPolarHBondContact O-CG 3.46Å; G89-Q109 PolarHBondContact O-NE2 2.86Å; G89-Q109 VanDerWaalsContact O-NE2 3.15Å
90	I	98.1	Very high	97	Very high	22 Å²	22	50 Å²	50	11%	0.113	25%	0.253	C	S	.	.			trans	-112.4	117.2	161.8	-64.9	178.1	0	0	0	107.8	L79 L80 I93 I107 F358	L79-I90 HydrophobicContact CB-CD1 3.66Å; L79-I90 HydrophobicContact CB-CG1 3.78Å; L79-I90 HydrophobicContact CD1-CD1 4.2Å; L79-I90 HydrophobicContact CD1-CG1 4.09Å; L80-I90 HydrophobicContact CD2-CB 4.14Å; L80-I90 HydrophobicContact CD2-CD1 4.45Å; L80-I90 HydrophobicContact CD2-CG2 4.15Å; L80-I90 HydrophobicContact CG-CD1 4.4Å; I90-I93 HydrophobicContact CD1-CD1 4.48Å; I90-I93 HydrophobicContact CG2-CD1 3.96Å; I90-I93 HydrophobicContact CG2-CG1 3.58Å; I90-I107 HydrophobicContact CB-CG2 4.38Å; I90-I107 HydrophobicContact CD1-CG2 3.89Å; I90-I107 HydrophobicContact CG1-CG2 3.67Å; I90-I107 HydrophobicContact CG2-CG2 4.01Å; I90-F358 HydrophobicContact CG2-CZ 4.36Å
91	N	97	Very high	97	Very high	73 Å²	73	53.3 Å²	53.3	39%	0.39	27%	0.267	S	S	.	.			trans	-91.3	-31.7	-178.7	-63.6	-18.8	0	0	0	111.5	V108 D110	N91-V108 PolarHBondContact N-O 2.86Å; N91-D110 PolarHBondContact ND2-N 3.06Å; N91-D110 PolarHBondContact ND2-OD1 2.88Å
92	D	97.8	Very high	97	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.064	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	158.6	179.8	-159.8	7.4	0	0	0	111.1	R28 Y29 V108 F358	R28-D92 IonicContact CZ-OD2 3.05Å; R28-D92 IonicContact NH1-OD2 3.96Å; R28-D92 PolarHBondContact NH1-OD2 2.94Å; Y29-D92 VanDerWaalsContact OH-CB 3.22Å; Y29-D92 WeakPolarHBondContact OH-CB 3.2Å; Y29-D92 PolarHBondContact OH-OD2 3.47Å; D92-V108 HydrophobicContact CB-CB 3.78Å; D92-V108 HydrophobicContact CB-CG1 4.45Å; D92-V108 HydrophobicContact CB-CG2 3.84Å; D92-V108 PolarHBondContact N-O 2.78Å; D92-V108 PolarHBondContact O-N 3.23Å; D92-F358 WeakPolarHBondContact OD1-CD1 3.5Å
93	I	98.1	Very high	96.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	120.9	172.3	-53.7	178.8	0	0	0	110.4	I76 I90 V105 Y106 T355 F358	I76-I93 HydrophobicContact CD1-CD1 4.49Å; I76-I93 HydrophobicContact CG1-CD1 4.39Å; I76-I93 HydrophobicContact CG2-CD1 4.04Å; I90-I93 HydrophobicContact CD1-CD1 4.48Å; I90-I93 HydrophobicContact CG2-CD1 3.96Å; I90-I93 HydrophobicContact CG2-CG1 3.58Å; I93-V105 HydrophobicContact CG2-CG1 3.57Å; I93-Y106 WeakPolarHBondContact CA-O 3.49Å; I93-T355 HydrophobicContact CB-CG2 4.33Å; I93-T355 HydrophobicContact CD1-CG2 3.82Å; I93-T355 HydrophobicContact CG2-CG2 3.66Å; I93-F358 HydrophobicContact CB-CB 4.24Å; I93-F358 HydrophobicContact CB-CD2 3.9Å; I93-F358 HydrophobicContact CB-CE2 4.5Å; I93-F358 HydrophobicContact CB-CG 4.02Å; I93-F358 HydrophobicContact CD1-CD2 3.9Å; I93-F358 HydrophobicContact CD1-CE2 3.74Å; I93-F358 HydrophobicContact CD1-CZ 4.48Å; I93-F358 HydrophobicContact CG1-CD2 3.88Å; I93-F358 HydrophobicContact CG1-CE2 3.96Å; I93-F358 HydrophobicContact CG1-CG 4.26Å; I93-F358 HydrophobicContact CG1-CZ 4.41Å; I93-F358 WeakPolarHBondContact O-CB 3.49Å
94	I	97.6	Very high	96.8	Very high	34 Å²	34	46.9 Å²	46.9	17%	0.174	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.3	178.6	-40.5	162.9	0	0	0	108.9	V25 Y29 Y106 V108	V25-I94 HydrophobicContact CB-CD1 3.73Å; V25-I94 HydrophobicContact CG1-CD1 3.86Å; Y29-I94 HydrophobicContact CD2-CD1 3.38Å; Y29-I94 HydrophobicContact CD2-CG1 4.47Å; Y29-I94 HydrophobicContact CE2-CD1 3.45Å; Y29-I94 VanDerWaalsContact CE2-CD1 3.45Å; Y29-I94 HydrophobicContact CE2-CG1 4.1Å; Y29-I94 HydrophobicContact CG-CD1 4.5Å; I94-Y106 HydrophobicContact CB-CD2 4.23Å; I94-Y106 HydrophobicContact CB-CG 4.5Å; I94-Y106 PolarHBondContact N-O 3.3Å; I94-Y106 WeakPolarHBondContact O-CD2 3.38Å; I94-Y106 PolarHBondContact O-N 2.81Å; I94-V108 HydrophobicContact CD1-CG2 4.27Å; I94-V108 HydrophobicContact CG1-CG2 4.46Å
95	R	96.4	Very high	96.8	Very high	19 Å²	19	46 Å²	46	7%	0.072	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	170.5	176.2	51.5	130	179.2	100.8	-12.9	109.2	M102 F352 T355 Q359	R95-M102 HydrophobicContact CB-CG 4.21Å; R95-M102 HydrophobicContact CB-SD 4.09Å; R95-M102 VanDerWaalsContact CD-SD 3.52Å; R95-M102 HydrophobicContact CG-SD 4.38Å; R95-F352 VanDerWaalsContact CZ-CE2 3.48Å; R95-F352 PolarHBondContact NH2-O 2.89Å; R95-T355 WeakPolarHBondContact CD-OG1 3.45Å; R95-T355 PolarHBondContact NE-OG1 3.41Å; R95-Q359 VanDerWaalsContact NH1-CG 3.26Å
96	A	95.5	Very high	96.8	Very high	24 Å²	24	40.3 Å²	40.3	20%	0.198	21%	0.212	C	C	.	.			trans	-62.8	154.8	175.8	0	0	0	0	0	112	S98 Q101 M102	A96-S98 VanDerWaalsContact C-N 3.32Å; A96-S98 PolarHBondContact O-N 3.31Å; A96-Q101 VanDerWaalsContact CB-C 3.43Å; A96-Q101 HydrophobicContact CB-CB 3.63Å; A96-Q101 WeakPolarHBondContact CB-O 3.38Å; A96-M102 HydrophobicContact CB-CB 4.27Å
97	P	93.4	Very high	96.7	Very high	100 Å²	100	39.9 Å²	39.9	65%	0.649	21%	0.21	S	C	*	.	S	Bend	trans	-70.7	-24.4	-176.7	27.2	-35.1	0	0	0	113.7	F352	P97-F352 WeakPolarHBondContact O-CZ 3.42Å
98	S	95.7	Very high	96.7	Very high	32 Å²	32	39.7 Å²	39.7	22%	0.224	21%	0.209	C	C	.	.	S	Bend	trans	-118.9	154.1	176.9	95.4	0	0	0	0	111.9	A96 E100 Q101 M102	A96-S98 VanDerWaalsContact C-N 3.32Å; A96-S98 PolarHBondContact O-N 3.31Å; S98-E100 VanDerWaalsContact C-N 3.28Å; S98-E100 WeakPolarHBondContact CB-OE2 3.19Å; S98-E100 PolarHBondContact O-N 3.09Å; S98-E100 PolarHBondContact OG-OE2 2.92Å; S98-Q101 PolarHBondContact O-N 3.47Å; S98-Q101 WeakPolarHBondContact OG-CG 3.47Å; S98-Q101 PolarHBondContact OG-N 3.41Å; S98-M102 PolarHBondContact O-N 3.15Å
99	I	96.2	Very high	96.7	Very high	41 Å²	41	40.5 Å²	40.5	21%	0.21	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.3	-178.8	-170.6	172.6	0	0	0	112.3	Q101 M102 K348 E349 F352	I99-Q101 VanDerWaalsContact C-N 3.34Å; I99-M102 HydrophobicContact CG1-CE 4.43Å; I99-M102 PolarHBondContact O-N 2.95Å; I99-K348 HydrophobicContact CD1-CG 4.31Å; I99-K348 HydrophobicContact CG1-CD 4.23Å; I99-K348 HydrophobicContact CG1-CG 4.1Å; I99-K348 WeakPolarHBondContact O-CE 3.43Å; I99-K348 PolarHBondContact O-NZ 3.2Å; I99-E349 HydrophobicContact CD1-CB 4.16Å; I99-E349 HydrophobicContact CD1-CG 3.45Å; I99-E349 VanDerWaalsContact CD1-CG 3.45Å; I99-F352 HydrophobicContact CB-CD2 4.11Å; I99-F352 HydrophobicContact CB-CE2 4.39Å; I99-F352 HydrophobicContact CB-CG 4.2Å; I99-F352 HydrophobicContact CD1-CB 4.43Å; I99-F352 HydrophobicContact CG1-CB 4.43Å; I99-F352 HydrophobicContact CG1-CG 4.48Å
100	E	95.9	Very high	96.6	Very high	142 Å²	142	42.3 Å²	42.3	66%	0.664	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-37.2	178.5	-54.4	74.4	-161.9	0	0	111	S98	S98-E100 VanDerWaalsContact C-N 3.28Å; S98-E100 WeakPolarHBondContact CB-OE2 3.19Å; S98-E100 PolarHBondContact O-N 3.09Å; S98-E100 PolarHBondContact OG-OE2 2.92Å
101	Q	95.8	Very high	96.6	Very high	120 Å²	120	43.7 Å²	43.7	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.4	178.8	-64.9	178	-2.9	0	0	112.8	A96 S98 I99 K103	A96-Q101 VanDerWaalsContact CB-C 3.43Å; A96-Q101 HydrophobicContact CB-CB 3.63Å; A96-Q101 WeakPolarHBondContact CB-O 3.38Å; S98-Q101 PolarHBondContact O-N 3.47Å; S98-Q101 WeakPolarHBondContact OG-CG 3.47Å; S98-Q101 PolarHBondContact OG-N 3.41Å; I99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-K103 PolarHBondContact O-N 2.83Å
102	M	96.5	Very high	96.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-70.4	98.4	-178.9	-175	175.5	66.1	0	0	110.7	F63 R95 A96 S98 I99 V105 K348 F352	F63-M102 HydrophobicContact CE1-CE 3.96Å; F63-M102 HydrophobicContact CE2-CE 4.2Å; F63-M102 HydrophobicContact CE2-CG 3.78Å; F63-M102 HydrophobicContact CE2-SD 4.38Å; F63-M102 HydrophobicContact CZ-CE 3.53Å; F63-M102 HydrophobicContact CZ-CG 3.95Å; F63-M102 HydrophobicContact CZ-SD 3.93Å; R95-M102 HydrophobicContact CB-CG 4.21Å; R95-M102 HydrophobicContact CB-SD 4.09Å; R95-M102 VanDerWaalsContact CD-SD 3.52Å; R95-M102 HydrophobicContact CG-SD 4.38Å; A96-M102 HydrophobicContact CB-CB 4.27Å; S98-M102 PolarHBondContact O-N 3.15Å; I99-M102 HydrophobicContact CG1-CE 4.43Å; I99-M102 PolarHBondContact O-N 2.95Å; M102-V105 HydrophobicContact SD-CG2 4.19Å; M102-K348 HydrophobicContact CE-CD 4.43Å; M102-K348 HydrophobicContact CE-CG 3.62Å; M102-K348 WeakPolarHBondContact O-CE 3.37Å; M102-K348 PolarHBondContact O-NZ 3.48Å; M102-F352 HydrophobicContact CE-CB 3.79Å; M102-F352 HydrophobicContact CE-CD2 4.01Å; M102-F352 HydrophobicContact CE-CG 4.4Å; M102-F352 HydrophobicContact SD-CB 4.48Å; M102-F352 HydrophobicContact SD-CD2 3.94Å
103	K	94.7	Very high	96.4	Very high	157 Å²	157	45.6 Å²	45.6	68%	0.683	23%	0.232	S	C	*	.			trans	-100.6	-33	172.8	-63.9	-177.9	-178.1	-180	0	112.6	F63 Q101	F63-K103 VanDerWaalsContact CD2-O 3.25Å; F63-K103 WeakPolarHBondContact CD2-O 3.44Å; Q101-K103 PolarHBondContact O-N 2.83Å
104	D	95.9	Very high	96.3	Very high	29 Å²	29	47.5 Å²	47.5	16%	0.155	24%	0.244	C	C	.	.			trans	-129.3	149.7	-175	-60.5	-51.1	0	0	0	110.1	K59 I60 S61 Y106	K59-D104 VanDerWaalsContact CE-OD1 3.26Å; K59-D104 WeakPolarHBondContact CE-OD1 3.38Å; K59-D104 WeakPolarHBondContact CE-OD2 3.29Å; K59-D104 IonicContact NZ-OD1 3.83Å; K59-D104 IonicContact NZ-OD2 3.33Å; K59-D104 PolarHBondContact NZ-OD2 2.85Å; I60-D104 CarbonylContact O-C 3.56Å; I60-D104 WeakPolarHBondContact O-CA 3.42Å; S61-D104 WeakPolarHBondContact CB-OD1 3.48Å; S61-D104 PolarHBondContact OG-OD1 3.17Å; D104-Y106 HydrophobicContact CB-CE2 3.84Å
105	V	97.3	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.7	169.1	179.7	0	0	0	0	107.9	I60 F63 I76 I93 M102 I107 I351	I60-V105 PolarHBondContact N-O 3.37Å; I60-V105 PolarHBondContact O-N 3.38Å; F63-V105 HydrophobicContact CE2-CG2 4.18Å; F63-V105 HydrophobicContact CZ-CG2 3.74Å; I76-V105 HydrophobicContact CD1-CG1 4.48Å; I93-V105 HydrophobicContact CG2-CG1 3.57Å; M102-V105 HydrophobicContact SD-CG2 4.19Å; V105-I107 HydrophobicContact CG1-CG1 4.25Å; V105-I351 HydrophobicContact CG2-CG2 4.05Å
106	Y	97.7	Very high	96.3	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.1	178.7	-53.3	-97.4	0	0	0	109	F23 D24 V25 I57 K58 K59 I93 I94 D104	F23-Y106 HydrophobicContact CB-CE1 4.38Å; F23-Y106 HydrophobicContact CD1-CD1 4.01Å; F23-Y106 AromaticContact CD1-CE1 3.85Å; F23-Y106 HydrophobicContact CD1-CE1 3.85Å; F23-Y106 HydrophobicContact CE1-CD1 4.37Å; F23-Y106 HydrophobicContact CE1-CE1 4.42Å; F23-Y106 HydrophobicContact CG-CE1 4.18Å; D24-Y106 HydrophobicContact CB-CE2 4.39Å; D24-Y106 PolarHBondContact N-OH 2.97Å; D24-Y106 VanDerWaalsContact N-OH 3.1Å; D24-Y106 PolarHBondContact OD2-OH 3.14Å; V25-Y106 HydrophobicContact CG1-CD1 3.43Å; V25-Y106 VanDerWaalsContact CG1-CD1 3.43Å; V25-Y106 HydrophobicContact CG1-CD2 4.31Å; V25-Y106 HydrophobicContact CG1-CE1 3.81Å; V25-Y106 HydrophobicContact CG1-CG 3.71Å; I57-Y106 HydrophobicContact CG2-CD1 4.26Å; K58-Y106 WeakPolarHBondContact O-CA 3.28Å; K59-Y106 HydrophobicContact CB-CD1 3.77Å; K59-Y106 HydrophobicContact CB-CE1 3.83Å; K59-Y106 HydrophobicContact CD-CD1 4.47Å; K59-Y106 HydrophobicContact CD-CE1 3.65Å; K59-Y106 HydrophobicContact CG-CD1 3.9Å; K59-Y106 HydrophobicContact CG-CE1 3.53Å; I93-Y106 WeakPolarHBondContact CA-O 3.49Å; I94-Y106 HydrophobicContact CB-CD2 4.23Å; I94-Y106 HydrophobicContact CB-CG 4.5Å; I94-Y106 PolarHBondContact N-O 3.3Å; I94-Y106 WeakPolarHBondContact O-CD2 3.38Å; I94-Y106 PolarHBondContact O-N 2.81Å; D104-Y106 HydrophobicContact CB-CE2 3.84Å
107	I	97.6	Very high	96.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.6	179.2	-55.3	-178.9	0	0	0	108.3	I57 K58 I60 I76 I90 V105 Q109	I57-I107 WeakPolarHBondContact CA-O 3.42Å; K58-I107 HydrophobicContact CB-CB 4.48Å; K58-I107 PolarHBondContact N-O 3.47Å; K58-I107 PolarHBondContact O-N 3.45Å; I60-I107 HydrophobicContact CD1-CD1 3.64Å; I60-I107 HydrophobicContact CD1-CG1 4.24Å; I76-I107 HydrophobicContact CD1-CD1 4.42Å; I76-I107 HydrophobicContact CG1-CD1 3.95Å; I90-I107 HydrophobicContact CB-CG2 4.38Å; I90-I107 HydrophobicContact CD1-CG2 3.89Å; I90-I107 HydrophobicContact CG1-CG2 3.67Å; I90-I107 HydrophobicContact CG2-CG2 4.01Å; V105-I107 HydrophobicContact CG1-CG1 4.25Å; I107-Q109 HydrophobicContact CG2-CG 3.87Å
108	V	98.1	Very high	96.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.4	178.5	-173.5	0	0	0	0	109.5	Y29 V55 A56 I57 N91 D92 I94	Y29-V108 HydrophobicContact CE1-CG1 3.83Å; Y29-V108 HydrophobicContact CE1-CG2 4.25Å; Y29-V108 HydrophobicContact CE2-CG2 4.01Å; V55-V108 HydrophobicContact CB-CG1 3.78Å; V55-V108 HydrophobicContact CG1-CG1 4.08Å; V55-V108 HydrophobicContact CG2-CG1 3.75Å; A56-V108 CarbonylContact O-C 3.59Å; A56-V108 WeakPolarHBondContact O-CA 3.37Å; I57-V108 HydrophobicContact CD1-CG2 4.39Å; I57-V108 HydrophobicContact CG1-CG1 4.46Å; I57-V108 HydrophobicContact CG1-CG2 4.18Å; N91-V108 PolarHBondContact N-O 2.86Å; D92-V108 HydrophobicContact CB-CB 3.78Å; D92-V108 HydrophobicContact CB-CG1 4.45Å; D92-V108 HydrophobicContact CB-CG2 3.84Å; D92-V108 PolarHBondContact N-O 2.78Å; D92-V108 PolarHBondContact O-N 3.23Å; I94-V108 HydrophobicContact CD1-CG2 4.27Å; I94-V108 HydrophobicContact CG1-CG2 4.46Å
109	Q	97.9	Very high	96.6	Very high	18 Å²	18	48.8 Å²	48.8	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	169.9	-173.5	-50.8	-171.2	-83.9	0	0	110.6	A56 I88 G89 I107 L111	A56-Q109 PolarHBondContact N-O 3.22Å; A56-Q109 PolarHBondContact O-N 3.21Å; I88-Q109 HydrophobicContact CD1-CB 4.22Å; I88-Q109 HydrophobicContact CG1-CB 3.99Å; I88-Q109 HydrophobicContact CG1-CG 4.44Å; G89-Q109 WeakPolarHBondContact O-CG 3.46Å; G89-Q109 PolarHBondContact O-NE2 2.86Å; G89-Q109 VanDerWaalsContact O-NE2 3.15Å; I107-Q109 HydrophobicContact CG2-CG 3.87Å; Q109-L111 PolarHBondContact O-N 2.9Å
110	D	96.6	Very high	96.6	Very high	57 Å²	57	47.2 Å²	47.2	31%	0.305	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	136.4	171.2	-60	-25.2	0	0	0	110.2	I88 N91 K168	I88-D110 HydrophobicContact CD1-CB 3.96Å; N91-D110 PolarHBondContact ND2-N 3.06Å; N91-D110 PolarHBondContact ND2-OD1 2.88Å; D110-K168 WeakPolarHBondContact OD2-CE 3.36Å; D110-K168 IonicContact OD2-NZ 3.02Å
111	L	97.3	Very high	96.7	Very high	51 Å²	51	47 Å²	47	27%	0.267	22%	0.219	S	C	.	.			trans	-79.7	122.9	173.7	-178.5	61.8	0	0	0	109.4	I35 R54 A56 Q109	I35-L111 HydrophobicContact CD1-CD1 3.52Å; R54-L111 HydrophobicContact CB-CD2 3.58Å; A56-L111 HydrophobicContact CB-CD1 4.13Å; Q109-L111 PolarHBondContact O-N 2.9Å
112	M	96.9	Very high	96.6	Very high	21 Å²	21	46.1 Å²	46.1	10%	0.103	22%	0.222	C	C	.	.			trans	-111.3	143.8	172.9	-55.1	-67	-74.8	0	0	109.4	L160 N162 D166 K168	M112-L160 HydrophobicContact CB-CB 3.72Å; M112-L160 HydrophobicContact CB-CD1 4.28Å; M112-L160 HydrophobicContact CE-CB 4.19Å; M112-L160 HydrophobicContact CG-CB 3.63Å; M112-L160 HydrophobicContact CG-CD1 3.9Å; M112-L160 HydrophobicContact CG-CG 4.41Å; M112-N162 HydrophobicContact CE-CB 4.07Å; M112-N162 HydrophobicContact SD-CB 4.4Å; M112-D166 WeakPolarHBondContact CE-O 3.23Å; M112-K168 HydrophobicContact CE-CB 4.19Å; M112-K168 HydrophobicContact CE-CD 4.15Å; M112-K168 HydrophobicContact CE-CG 4.04Å; M112-K168 HydrophobicContact SD-CD 3.88Å; M112-K168 HydrophobicContact SD-CG 4.43Å
113	E	93.5	Very high	96.6	Very high	104 Å²	104	51.1 Å²	51.1	49%	0.486	25%	0.245	S	C	.	.	S	Bend	trans	-76.5	-36.3	-170.5	-71	91.7	129.6	0	0	112.9	L161 N162 T163	E113-L161 PolarHBondContact N-O 3.23Å; E113-L161 VanDerWaalsContact N-O 3.15Å; E113-N162 WeakPolarHBondContact OE2-CA 3.28Å; E113-N162 WeakPolarHBondContact OE2-CB 3.36Å; E113-T163 HydrophobicContact CG-CG2 4.05Å; E113-T163 WeakPolarHBondContact OE1-CB 3.41Å; E113-T163 VanDerWaalsContact OE1-CG2 3.31Å; E113-T163 WeakPolarHBondContact OE1-CG2 3.05Å; E113-T163 PolarHBondContact OE1-N 2.84Å; E113-T163 PolarHBondContact OE1-OG1 3.06Å
114	T	95.4	Very high	96.6	Very high	41 Å²	41	51.4 Å²	51.4	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	-176.9	-179.8	-163.6	0	0	0	0	111.5	K118 L161	T114-K118 WeakPolarHBondContact OG1-CB 3.3Å; T114-L161 HydrophobicContact CG2-CB 3.85Å; T114-L161 PolarHBondContact N-O 3.08Å; T114-L161 PolarHBondContact O-N 3.39Å
115	D	96.9	Very high	96.7	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.7	170.7	53.8	70.4	0	0	0	109.1	Y117 K118 L119 L159 L160	D115-Y117 PolarHBondContact O-N 3.24Å; D115-Y117 WeakPolarHBondContact OD1-CB 3.31Å; D115-Y117 PolarHBondContact OD1-N 3.01Å; D115-K118 PolarHBondContact O-N 3.1Å; D115-K118 WeakPolarHBondContact OD1-CG 3.48Å; D115-K118 PolarHBondContact OD1-N 3.42Å; D115-K118 VanDerWaalsContact OD2-CD 3.26Å; D115-K118 WeakPolarHBondContact OD2-CD 3.43Å; D115-K118 WeakPolarHBondContact OD2-CE 3.23Å; D115-K118 IonicContact OD2-NZ 3.82Å; D115-K118 PolarHBondContact OD2-NZ 2.93Å; D115-L119 PolarHBondContact O-N 2.56Å; D115-L159 CarbonylContact C-O 3.44Å; D115-L159 VanDerWaalsContact CA-O 3.3Å; D115-L159 WeakPolarHBondContact CA-O 3.37Å; D115-L160 HydrophobicContact CB-CD2 4.19Å
116	L	98.2	Very high	96.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-31.5	-177.9	-174.9	67	0	0	0	111.4	L119 L120 L125 F133 P156 L159 L161 I221 M225	L116-L119 HydrophobicContact CD1-CD2 4.29Å; L116-L119 PolarHBondContact O-N 2.98Å; L116-L120 HydrophobicContact CD1-CD1 4.27Å; L116-L120 HydrophobicContact CD1-CG 4.14Å; L116-L120 HydrophobicContact CD2-CD1 4.32Å; L116-L120 HydrophobicContact CG-CD1 3.83Å; L116-L120 HydrophobicContact CG-CG 4.14Å; L116-L120 WeakPolarHBondContact O-CB 3.35Å; L116-L120 WeakPolarHBondContact O-CG 3.33Å; L116-L120 PolarHBondContact O-N 3.14Å; L116-L125 HydrophobicContact CD1-CD1 4.28Å; L116-F133 HydrophobicContact CD1-CD2 4.23Å; L116-F133 HydrophobicContact CD1-CE2 4.45Å; L116-P156 HydrophobicContact CB-CB 4.04Å; L116-P156 WeakPolarHBondContact CB-O 3.43Å; L116-P156 HydrophobicContact CD2-CB 4.19Å; L116-P156 HydrophobicContact CG-CB 4.11Å; L116-P156 PolarHBondContact N-O 3.34Å; L116-L159 HydrophobicContact CB-CB 4.03Å; L116-L159 HydrophobicContact CD2-CD1 3.7Å; L116-L159 PolarHBondContact N-O 3.32Å; L116-L161 HydrophobicContact CB-CD1 4.16Å; L116-L161 HydrophobicContact CD1-CD1 4.06Å; L116-I221 HydrophobicContact CD2-CG2 3.74Å; L116-M225 HydrophobicContact CD1-CG 4.4Å; L116-M225 HydrophobicContact CD1-SD 4.29Å; L116-M225 HydrophobicContact CD2-CG 4.06Å; L116-M225 HydrophobicContact CD2-SD 3.98Å
117	Y	96.6	Very high	96.8	Very high	92 Å²	92	56.3 Å²	56.3	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-47.5	175.7	175.5	-104.3	0	0	0	112.8	D115 L119 K121 P156	D115-Y117 PolarHBondContact O-N 3.24Å; D115-Y117 WeakPolarHBondContact OD1-CB 3.31Å; D115-Y117 PolarHBondContact OD1-N 3.01Å; Y117-L119 VanDerWaalsContact C-N 3.35Å; Y117-K121 HydrophobicContact CE1-CD 4.28Å; Y117-K121 VanDerWaalsContact CZ-NZ 3.25Å; Y117-K121 PolarHBondContact O-N 3.01Å; Y117-K121 WeakPolarHBondContact OH-CE 3.11Å; Y117-K121 PolarHBondContact OH-NZ 2.98Å; Y117-P156 PolarHBondContact N-O 3.33Å; Y117-P156 VanDerWaalsContact N-O 3.12Å
118	K	96	Very high	96.9	Very high	92 Å²	92	61 Å²	61	40%	0.4	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-38.3	175	-73.6	171.7	-168.5	145.1	0	111.8	T114 D115 K121 T122	T114-K118 WeakPolarHBondContact OG1-CB 3.3Å; D115-K118 PolarHBondContact O-N 3.1Å; D115-K118 WeakPolarHBondContact OD1-CG 3.48Å; D115-K118 PolarHBondContact OD1-N 3.42Å; D115-K118 VanDerWaalsContact OD2-CD 3.26Å; D115-K118 WeakPolarHBondContact OD2-CD 3.43Å; D115-K118 WeakPolarHBondContact OD2-CE 3.23Å; D115-K118 IonicContact OD2-NZ 3.82Å; D115-K118 PolarHBondContact OD2-NZ 2.93Å; K118-K121 PolarHBondContact O-N 3Å; K118-T122 PolarHBondContact O-OG1 2.96Å
119	L	97.1	Very high	96.9	Very high	36 Å²	36	64.7 Å²	64.7	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-61.3	-49.4	177.9	-172.3	65.1	0	0	0	110.8	D115 L116 Y117 K121 T122 Q123 L125 F133 L161	D115-L119 PolarHBondContact O-N 2.56Å; L116-L119 HydrophobicContact CD1-CD2 4.29Å; L116-L119 PolarHBondContact O-N 2.98Å; Y117-L119 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 3.43Å; L119-K121 VanDerWaalsContact O-N 3.16Å; L119-T122 PolarHBondContact O-N 3.22Å; L119-T122 PolarHBondContact O-OG1 3.35Å; L119-Q123 HydrophobicContact CD1-CB 3.91Å; L119-Q123 HydrophobicContact CD1-CG 3.6Å; L119-Q123 HydrophobicContact CG-CB 4.31Å; L119-Q123 HydrophobicContact CG-CG 4.48Å; L119-Q123 PolarHBondContact O-N 3.43Å; L119-L125 HydrophobicContact CD2-CD2 3.77Å; L119-L125 HydrophobicContact CG-CD2 4.14Å; L119-F133 HydrophobicContact CD2-CE2 3.94Å; L119-F133 HydrophobicContact CD2-CZ 4.11Å; L119-L161 HydrophobicContact CB-CD1 4.42Å; L119-L161 HydrophobicContact CD2-CD1 3.59Å
120	L	97.7	Very high	96.9	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-17.7	-178.8	-68.1	173.9	0	0	0	114	L116 L125 P156 E224 M225 N228	L116-L120 HydrophobicContact CD1-CD1 4.27Å; L116-L120 HydrophobicContact CD1-CG 4.14Å; L116-L120 HydrophobicContact CD2-CD1 4.32Å; L116-L120 HydrophobicContact CG-CD1 3.83Å; L116-L120 HydrophobicContact CG-CG 4.14Å; L116-L120 WeakPolarHBondContact O-CB 3.35Å; L116-L120 WeakPolarHBondContact O-CG 3.33Å; L116-L120 PolarHBondContact O-N 3.14Å; L120-L125 HydrophobicContact CD2-CD1 3.69Å; L120-L125 HydrophobicContact CD2-CG 4.07Å; L120-P156 HydrophobicContact CD1-CB 4.34Å; L120-P156 HydrophobicContact CD1-CG 4.39Å; L120-E224 HydrophobicContact CD1-CB 4.47Å; L120-E224 HydrophobicContact CD1-CG 3.98Å; L120-M225 HydrophobicContact CD1-CG 4.34Å; L120-M225 HydrophobicContact CD2-CG 4.36Å; L120-N228 PolarHBondContact O-ND2 2.84Å
121	K	96.4	Very high	97	Very high	137 Å²	137	61.5 Å²	61.5	60%	0.596	31%	0.305	S	S	*	.	H	α-helix	trans	-74.7	-23.8	172	-77.5	-176.2	175.9	-180	0	114.1	Y117 K118 L119	Y117-K121 HydrophobicContact CE1-CD 4.28Å; Y117-K121 VanDerWaalsContact CZ-NZ 3.25Å; Y117-K121 PolarHBondContact O-N 3.01Å; Y117-K121 WeakPolarHBondContact OH-CE 3.11Å; Y117-K121 PolarHBondContact OH-NZ 2.98Å; K118-K121 PolarHBondContact O-N 3Å; L119-K121 PolarHBondContact O-N 3.43Å; L119-K121 VanDerWaalsContact O-N 3.16Å
122	T	94.6	Very high	97.1	Very high	102 Å²	102	62 Å²	62	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-125.5	-21.5	-167.2	59.5	0	0	0	0	113.7	K118 L119	K118-T122 PolarHBondContact O-OG1 2.96Å; L119-T122 PolarHBondContact O-N 3.22Å; L119-T122 PolarHBondContact O-OG1 3.35Å
123	Q	95.6	Very high	97.2	Very high	105 Å²	105	61.2 Å²	61.2	49%	0.491	30%	0.3	S	S	.	.			trans	-125.2	139	-174.3	-57.4	-56.6	-37.2	0	0	111.4	L119 N228	L119-Q123 HydrophobicContact CD1-CB 3.91Å; L119-Q123 HydrophobicContact CD1-CG 3.6Å; L119-Q123 HydrophobicContact CG-CB 4.31Å; L119-Q123 HydrophobicContact CG-CG 4.48Å; L119-Q123 PolarHBondContact O-N 3.43Å; Q123-N228 PolarHBondContact O-ND2 2.97Å
124	H	95.9	Very high	97.4	Very high	163 Å²	163	56.2 Å²	56.2	76%	0.755	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-88.8	126.9	163.6	-70.8	-65.4	0	0	0	108.9	N228	H124-N228 PolarHBondContact ND1-OD1 3.42Å
125	L	97.9	Very high	97.6	Very high	28 Å²	28	55 Å²	55	15%	0.147	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-82.9	138.1	-178	-57.4	-177.6	0	0	0	110.4	L116 L119 L120 H129 I130 F133 M225	L116-L125 HydrophobicContact CD1-CD1 4.28Å; L119-L125 HydrophobicContact CD2-CD2 3.77Å; L119-L125 HydrophobicContact CG-CD2 4.14Å; L120-L125 HydrophobicContact CD2-CD1 3.69Å; L120-L125 HydrophobicContact CD2-CG 4.07Å; L125-H129 HydrophobicContact CB-CB 4.31Å; L125-I130 HydrophobicContact CB-CD1 4.1Å; L125-I130 HydrophobicContact CB-CG1 3.6Å; L125-I130 HydrophobicContact CD1-CG1 4.15Å; L125-F133 HydrophobicContact CD1-CD2 3.99Å; L125-F133 HydrophobicContact CD1-CE2 4.06Å; L125-F133 HydrophobicContact CD2-CE2 4.06Å; L125-M225 HydrophobicContact CD1-CB 4.13Å; L125-M225 HydrophobicContact CD1-CG 4.01Å; L125-M225 HydrophobicContact CD1-SD 4.23Å
126	S	98.4	Very high	97.7	Very high	54 Å²	54	54.4 Å²	54.4	38%	0.378	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-71	158.4	166.1	65.8	0	0	0	0	110	D128 H129 I130	S126-D128 PolarHBondContact O-N 2.82Å; S126-H129 PolarHBondContact O-N 2.9Å; S126-H129 VanDerWaalsContact O-N 3.1Å; S126-H129 PolarHBondContact OG-N 3.37Å; S126-H129 PolarHBondContact OG-ND1 3.48Å; S126-I130 WeakPolarHBondContact O-CG1 3.3Å; S126-I130 PolarHBondContact O-N 3.25Å
127	N	98.5	Very high	97.7	Very high	56 Å²	56	54.4 Å²	54.4	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-53.5	-39.2	175.8	178.7	68.6	0	0	0	112.4	I130 C131 Y316	N127-I130 PolarHBondContact O-N 2.83Å; N127-C131 WeakPolarHBondContact O-CB 3.48Å; N127-C131 PolarHBondContact O-N 2.86Å; N127-Y316 WeakPolarHBondContact OD1-CE2 3.5Å; N127-Y316 PolarHBondContact OD1-OH 3.35Å
128	D	98.4	Very high	97.8	Very high	98 Å²	98	50 Å²	50	52%	0.524	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-41.7	179.5	-56.1	-23.4	0	0	0	111.8	S126 C131 Y132	S126-D128 PolarHBondContact O-N 2.82Å; D128-C131 PolarHBondContact O-N 3.41Å; D128-Y132 VanDerWaalsContact O-CB 3.32Å; D128-Y132 WeakPolarHBondContact O-CB 3.39Å; D128-Y132 PolarHBondContact O-N 2.89Å
129	H	98.5	Very high	98	Very high	79 Å²	79	46.1 Å²	46.1	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-42.1	173.3	-73.4	112.6	0	0	0	111.6	L125 S126 Y132 F133	L125-H129 HydrophobicContact CB-CB 4.31Å; S126-H129 PolarHBondContact O-N 2.9Å; S126-H129 VanDerWaalsContact O-N 3.1Å; S126-H129 PolarHBondContact OG-N 3.37Å; S126-H129 PolarHBondContact OG-ND1 3.48Å; H129-Y132 PolarHBondContact O-N 2.98Å; H129-F133 HydrophobicContact CB-CD2 4.41Å; H129-F133 HydrophobicContact CB-CE2 4.06Å; H129-F133 WeakPolarHBondContact O-CB 3.47Å; H129-F133 WeakPolarHBondContact O-CD2 3.35Å; H129-F133 VanDerWaalsContact O-CG 3.23Å; H129-F133 WeakPolarHBondContact O-CG 3.44Å; H129-F133 PolarHBondContact O-N 2.94Å
130	I	98.8	Very high	98.1	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-46.4	178	-62.6	177.3	0	0	0	110.5	L125 S126 N127 L134 L222 M225 L226	L125-I130 HydrophobicContact CB-CD1 4.1Å; L125-I130 HydrophobicContact CB-CG1 3.6Å; L125-I130 HydrophobicContact CD1-CG1 4.15Å; S126-I130 WeakPolarHBondContact O-CG1 3.3Å; S126-I130 PolarHBondContact O-N 3.25Å; N127-I130 PolarHBondContact O-N 2.83Å; I130-L134 VanDerWaalsContact O-CB 3.25Å; I130-L134 WeakPolarHBondContact O-CB 3.43Å; I130-L134 PolarHBondContact O-N 3.09Å; I130-L222 HydrophobicContact CG2-CD1 3.64Å; I130-M225 HydrophobicContact CD1-CB 4.4Å; I130-M225 WeakPolarHBondContact CD1-O 3.26Å; I130-M225 HydrophobicContact CG1-CB 4.13Å; I130-M225 HydrophobicContact CG2-CB 4.12Å; I130-M225 HydrophobicContact CG2-CE 4.1Å; I130-L226 HydrophobicContact CD1-CD2 3.92Å; I130-L226 HydrophobicContact CG2-CD2 4.4Å
131	C	98.8	Very high	98.1	Very high	1 Å²	1	44 Å²	44	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-47	177.1	-175.8	0	0	0	0	111.1	N127 D128 L134 Y135 Y316 Q319 Y320	N127-C131 WeakPolarHBondContact O-CB 3.48Å; N127-C131 PolarHBondContact O-N 2.86Å; D128-C131 PolarHBondContact O-N 3.41Å; C131-L134 PolarHBondContact O-N 3.09Å; C131-Y135 WeakPolarHBondContact O-CB 3.25Å; C131-Y135 PolarHBondContact O-N 3.45Å; C131-Y316 HydrophobicContact CB-CE1 4.14Å; C131-Y316 HydrophobicContact CB-CE2 4.37Å; C131-Y316 PolarHBondContact N-OH 2.97Å; C131-Y316 PolarHBondContact SG-O 2.8Å; C131-Q319 PolarHBondContact SG-NE2 3.23Å; C131-Y320 HydrophobicContact CB-CE2 4.33Å
132	Y	98.8	Very high	98.2	Very high	63 Å²	63	38.5 Å²	38.5	25%	0.247	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-42.7	-179.4	-172.8	-129.8	0	0	0	113	D128 H129 Y135 Q136 C165 Y320	D128-Y132 VanDerWaalsContact O-CB 3.32Å; D128-Y132 WeakPolarHBondContact O-CB 3.39Å; D128-Y132 PolarHBondContact O-N 2.89Å; H129-Y132 PolarHBondContact O-N 2.98Å; Y132-Y135 PolarHBondContact O-N 3.39Å; Y132-Q136 VanDerWaalsContact CD1-NE2 3.32Å; Y132-Q136 HydrophobicContact CE2-CG 4.19Å; Y132-Q136 WeakPolarHBondContact O-CG 3.44Å; Y132-Q136 PolarHBondContact O-N 2.89Å; Y132-Q136 VanDerWaalsContact O-N 3.08Å; Y132-C165 HydrophobicContact CD1-CB 4.32Å; Y132-C165 HydrophobicContact CE1-CB 4.21Å; Y132-C165 WeakPolarHBondContact CE1-O 3.31Å; Y132-Y320 HydrophobicContact CD2-CD1 4.18Å; Y132-Y320 HydrophobicContact CD2-CD2 4.48Å; Y132-Y320 AromaticContact CD2-CE1 3.7Å; Y132-Y320 HydrophobicContact CD2-CE1 3.7Å; Y132-Y320 HydrophobicContact CD2-CE2 4.02Å; Y132-Y320 AromaticContact CD2-CZ 3.63Å; Y132-Y320 HydrophobicContact CE2-CE1 4.24Å; Y132-Y320 HydrophobicContact CG-CE2 4.46Å
133	F	98.9	Very high	98.4	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-42.5	174.5	-66	-36.1	0	0	0	111.6	L116 L119 L125 H129 Y135 Q136 I137 L161 C165 L167 M225	L116-F133 HydrophobicContact CD1-CD2 4.23Å; L116-F133 HydrophobicContact CD1-CE2 4.45Å; L119-F133 HydrophobicContact CD2-CE2 3.94Å; L119-F133 HydrophobicContact CD2-CZ 4.11Å; L125-F133 HydrophobicContact CD1-CD2 3.99Å; L125-F133 HydrophobicContact CD1-CE2 4.06Å; L125-F133 HydrophobicContact CD2-CE2 4.06Å; H129-F133 HydrophobicContact CB-CD2 4.41Å; H129-F133 HydrophobicContact CB-CE2 4.06Å; H129-F133 WeakPolarHBondContact O-CB 3.47Å; H129-F133 WeakPolarHBondContact O-CD2 3.35Å; H129-F133 VanDerWaalsContact O-CG 3.23Å; H129-F133 WeakPolarHBondContact O-CG 3.44Å; H129-F133 PolarHBondContact O-N 2.94Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-Y135 PolarHBondContact O-N 2.83Å; F133-Q136 PolarHBondContact O-N 3.25Å; F133-I137 WeakPolarHBondContact O-CD1 3.49Å; F133-I137 WeakPolarHBondContact O-CG1 3.03Å; F133-I137 PolarHBondContact O-N 2.71Å; F133-L161 HydrophobicContact CD1-CD2 3.81Å; F133-L161 HydrophobicContact CE1-CD1 4.29Å; F133-L161 HydrophobicContact CE1-CD2 3.46Å; F133-L161 VanDerWaalsContact CE1-CD2 3.46Å; F133-L161 HydrophobicContact CZ-CD1 4.12Å; F133-L161 HydrophobicContact CZ-CD2 4.11Å; F133-C165 HydrophobicContact CE1-CB 3.73Å; F133-C165 HydrophobicContact CZ-CB 4.13Å; F133-L167 HydrophobicContact CB-CD1 4.2Å; F133-L167 HydrophobicContact CD1-CD1 4.24Å; F133-M225 HydrophobicContact CB-SD 3.89Å; F133-M225 HydrophobicContact CD2-SD 4.26Å
134	L	98.9	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-43.8	177.3	-174.9	65.2	0	0	0	111.7	I130 C131 I137 L138 V218 L222 M225 L293 M297 Y316 L317	I130-L134 VanDerWaalsContact O-CB 3.25Å; I130-L134 WeakPolarHBondContact O-CB 3.43Å; I130-L134 PolarHBondContact O-N 3.09Å; C131-L134 PolarHBondContact O-N 3.09Å; L134-I137 PolarHBondContact O-N 3.36Å; L134-L138 HydrophobicContact CD1-CD1 4.25Å; L134-L138 HydrophobicContact CD1-CG 4.43Å; L134-L138 HydrophobicContact CG-CD1 3.98Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.8Å; L134-V218 HydrophobicContact CD1-CG1 3.56Å; L134-L222 HydrophobicContact CD1-CB 4.37Å; L134-L222 HydrophobicContact CD2-CD1 4.02Å; L134-L222 HydrophobicContact CD2-CD2 3.88Å; L134-L222 HydrophobicContact CD2-CG 4.47Å; L134-M225 HydrophobicContact CB-CE 4.25Å; L134-L293 HydrophobicContact CD2-CD2 3.68Å; L134-M297 HydrophobicContact CD1-CE 4.27Å; L134-Y316 HydrophobicContact CD2-CD1 3.91Å; L134-Y316 HydrophobicContact CD2-CE1 3.89Å; L134-L317 HydrophobicContact CB-CD2 4.39Å; L134-L317 HydrophobicContact CD2-CD2 4.21Å; L134-L317 HydrophobicContact CG-CD2 4.42Å
135	Y	98.9	Very high	98.7	Very high	15 Å²	15	21.8 Å²	21.8	6%	0.059	11%	0.109	C	C	.	.	H	α-helix	trans	-55.9	-52.7	174.3	170.6	-108.1	0	0	0	111.5	C131 Y132 F133 I137 L138 R139 L312 Y320 E326	C131-Y135 WeakPolarHBondContact O-CB 3.25Å; C131-Y135 PolarHBondContact O-N 3.45Å; Y132-Y135 PolarHBondContact O-N 3.39Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-Y135 PolarHBondContact O-N 2.83Å; Y135-I137 VanDerWaalsContact C-N 3.33Å; Y135-I137 PolarHBondContact O-N 3.44Å; Y135-L138 PolarHBondContact O-N 3.38Å; Y135-R139 WeakPolarHBondContact O-CB 3.44Å; Y135-R139 PolarHBondContact O-N 2.92Å; Y135-L312 HydrophobicContact CD2-CD2 3.82Å; Y135-L312 HydrophobicContact CE2-CD2 3.98Å; Y135-Y320 HydrophobicContact CD1-CG 4.05Å; Y135-Y320 VanDerWaalsContact CE2-O 3.31Å; Y135-Y320 WeakPolarHBondContact CE2-O 3.41Å; Y135-Y320 VanDerWaalsContact CG-CB 3.48Å; Y135-Y320 HydrophobicContact CG-CD2 4.22Å; Y135-Y320 HydrophobicContact CG-CG 4.03Å; Y135-Y320 VanDerWaalsContact CZ-O 3.3Å; Y135-Y320 PolarHBondContact OH-O 3.01Å; Y135-E326 HydrophobicContact CE2-CG 4.5Å
136	Q	98.9	Very high	98.7	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-36.9	-179.3	-71.1	-177.2	81.8	0	0	113.2	N86 Y132 F133 G140 C165 L167	N86-Q136 WeakPolarHBondContact CB-O 3.39Å; N86-Q136 PolarHBondContact ND2-OE1 3.45Å; N86-Q136 VanDerWaalsContact ND2-OE1 3.15Å; Y132-Q136 VanDerWaalsContact CD1-NE2 3.32Å; Y132-Q136 HydrophobicContact CE2-CG 4.19Å; Y132-Q136 WeakPolarHBondContact O-CG 3.44Å; Y132-Q136 PolarHBondContact O-N 2.89Å; Y132-Q136 VanDerWaalsContact O-N 3.08Å; F133-Q136 PolarHBondContact O-N 3.25Å; Q136-G140 PolarHBondContact O-N 3.26Å; Q136-C165 PolarHBondContact NE2-O 2.79Å; Q136-L167 HydrophobicContact CB-CB 3.94Å; Q136-L167 HydrophobicContact CB-CD2 4.33Å
137	I	98.9	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.5	-49.6	173.8	-67.5	160.2	0	0	0	110	F133 L134 Y135 G140 L141 L159 L167 V218 I221 M225	F133-I137 WeakPolarHBondContact O-CD1 3.49Å; F133-I137 WeakPolarHBondContact O-CG1 3.03Å; F133-I137 PolarHBondContact O-N 2.71Å; L134-I137 PolarHBondContact O-N 3.36Å; Y135-I137 VanDerWaalsContact C-N 3.33Å; Y135-I137 PolarHBondContact O-N 3.44Å; I137-G140 PolarHBondContact O-N 2.8Å; I137-L141 VanDerWaalsContact O-CB 3.29Å; I137-L141 WeakPolarHBondContact O-CB 3.31Å; I137-L141 PolarHBondContact O-N 3.39Å; I137-L159 HydrophobicContact CD1-CD1 3.53Å; I137-L159 HydrophobicContact CG1-CD1 3.86Å; I137-L159 HydrophobicContact CG1-CD2 4.15Å; I137-L167 HydrophobicContact CD1-CD1 4.06Å; I137-L167 HydrophobicContact CG1-CD1 3.61Å; I137-L167 HydrophobicContact CG1-CD2 3.87Å; I137-L167 HydrophobicContact CG1-CG 4.44Å; I137-V218 HydrophobicContact CG2-CG1 4.13Å; I137-V218 HydrophobicContact CG2-CG2 3.71Å; I137-I221 HydrophobicContact CD1-CG2 4.16Å; I137-M225 HydrophobicContact CD1-CE 4.48Å
138	L	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.6	-36.6	-178.2	-70	168.5	0	0	0	112.4	L134 Y135 L141 K142 I215 V218 M297 V308 A311 L312 L317	L134-L138 HydrophobicContact CD1-CD1 4.25Å; L134-L138 HydrophobicContact CD1-CG 4.43Å; L134-L138 HydrophobicContact CG-CD1 3.98Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.8Å; Y135-L138 PolarHBondContact O-N 3.38Å; L138-L141 CarbonylContact O-C 3.57Å; L138-L141 PolarHBondContact O-N 2.94Å; L138-K142 WeakPolarHBondContact O-CB 3.01Å; L138-K142 PolarHBondContact O-N 2.81Å; L138-I215 HydrophobicContact CD2-CD1 4.49Å; L138-V218 HydrophobicContact CD2-CG1 4.08Å; L138-V218 HydrophobicContact CG-CG1 4.45Å; L138-M297 HydrophobicContact CD1-CE 3.86Å; L138-M297 HydrophobicContact CD2-CE 3.95Å; L138-M297 HydrophobicContact CG-CE 4.4Å; L138-V308 HydrophobicContact CB-CG2 4.39Å; L138-V308 HydrophobicContact CD2-CG2 4.06Å; L138-V308 WeakPolarHBondContact O-CG2 3.34Å; L138-A311 HydrophobicContact CD1-CB 3.94Å; L138-A311 HydrophobicContact CD2-CB 4.06Å; L138-L312 HydrophobicContact CB-CD1 4.49Å; L138-L312 HydrophobicContact CB-CD2 3.66Å; L138-L312 HydrophobicContact CB-CG 3.85Å; L138-L317 HydrophobicContact CD1-CD1 3.48Å; L138-L317 VanDerWaalsContact CD1-CD1 3.48Å
139	R	98.9	Very high	98.3	Very high	9 Å²	9	14.6 Å²	14.6	3%	0.034	7%	0.069	C	C	.	.	H	α-helix	trans	-61.1	-48	174.3	-174.2	179.8	177.9	-107.1	10.6	110.9	E85 N86 Y135 L141 K142 Y143 D325 E326	E85-R139 IonicContact OE2-CZ 2.89Å; E85-R139 IonicContact OE2-NH1 3.54Å; E85-R139 PolarHBondContact OE2-NH1 3.4Å; E85-R139 IonicContact OE2-NH2 3.07Å; E85-R139 PolarHBondContact OE2-NH2 3.02Å; E85-R139 VanDerWaalsContact OE2-NH2 3.14Å; N86-R139 WeakPolarHBondContact OD1-CD 3.45Å; N86-R139 PolarHBondContact OD1-NH1 2.89Å; Y135-R139 WeakPolarHBondContact O-CB 3.44Å; Y135-R139 PolarHBondContact O-N 2.92Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.13Å; R139-K142 PolarHBondContact O-N 2.95Å; R139-Y143 PolarHBondContact O-N 3.1Å; R139-D325 PolarHBondContact NE-O 3.25Å; R139-D325 PolarHBondContact NH2-O 2.95Å; R139-D325 IonicContact NH2-OD1 2.89Å; R139-D325 PolarHBondContact NH2-OD1 3.24Å; R139-D325 IonicContact NH2-OD2 3.88Å; R139-E326 HydrophobicContact CG-CG 4.2Å
140	G	98.9	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-41.9	172.2	0	0	0	0	0	112.5	Q136 I137 Y143 I144	Q136-G140 PolarHBondContact O-N 3.26Å; I137-G140 PolarHBondContact O-N 2.8Å; G140-Y143 WeakPolarHBondContact O-CB 3.07Å; G140-Y143 PolarHBondContact O-N 3.1Å; G140-I144 VanDerWaalsContact O-CG1 3.29Å; G140-I144 WeakPolarHBondContact O-CG1 3.39Å; G140-I144 PolarHBondContact O-N 3.15Å; G140-I144 VanDerWaalsContact O-N 3.09Å
141	L	98.8	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.2	-36.2	179.9	-169.1	60.6	0	0	0	112.9	I137 L138 R139 Y143 I144 H145 L154 D214 I215 V218 V308	I137-L141 VanDerWaalsContact O-CB 3.29Å; I137-L141 WeakPolarHBondContact O-CB 3.31Å; I137-L141 PolarHBondContact O-N 3.39Å; L138-L141 CarbonylContact O-C 3.57Å; L138-L141 PolarHBondContact O-N 2.94Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-L141 PolarHBondContact O-N 3.13Å; L141-Y143 VanDerWaalsContact C-N 3.33Å; L141-Y143 PolarHBondContact O-N 3.42Å; L141-I144 HydrophobicContact CD1-CB 4.45Å; L141-I144 HydrophobicContact CD1-CD1 4.37Å; L141-I144 PolarHBondContact O-N 2.8Å; L141-H145 WeakPolarHBondContact CD1-NE2 3.37Å; L141-H145 WeakPolarHBondContact O-CB 3.37Å; L141-H145 PolarHBondContact O-N 3.36Å; L141-L154 HydrophobicContact CD1-CD1 4.01Å; L141-L154 HydrophobicContact CD2-CD1 4.27Å; L141-D214 HydrophobicContact CD1-CB 3.92Å; L141-D214 HydrophobicContact CD2-CB 4Å; L141-I215 HydrophobicContact CD2-CD1 3.99Å; L141-V218 HydrophobicContact CD2-CG2 3.89Å; L141-V308 HydrophobicContact CB-CG2 4.04Å; L141-V308 HydrophobicContact CD2-CG2 4.35Å; L141-V308 HydrophobicContact CG-CG2 4.21Å
142	K	98.8	Very high	97.6	Very high	20 Å²	20	12.6 Å²	12.6	9%	0.087	6%	0.058	C	C	.	.	H	α-helix	trans	-57.7	-47.2	173	179.8	-170.8	-177.6	-175.7	0	110.4	L138 R139 I144 H145 S146 V308 E309 L312 E326 I328	L138-K142 WeakPolarHBondContact O-CB 3.01Å; L138-K142 PolarHBondContact O-N 2.81Å; R139-K142 PolarHBondContact O-N 2.95Å; K142-I144 PolarHBondContact O-N 3.19Å; K142-H145 PolarHBondContact O-N 3.17Å; K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.38Å; K142-S146 PolarHBondContact O-N 3.46Å; K142-S146 PolarHBondContact O-OG 2.87Å; K142-V308 HydrophobicContact CB-CG1 4.23Å; K142-V308 HydrophobicContact CB-CG2 4.04Å; K142-E309 HydrophobicContact CG-CG 4.45Å; K142-L312 HydrophobicContact CB-CD1 3.89Å; K142-L312 HydrophobicContact CD-CD1 3.66Å; K142-L312 HydrophobicContact CG-CD1 4.26Å; K142-E326 HydrophobicContact CD-CB 4.01Å; K142-E326 WeakPolarHBondContact CE-O 3.45Å; K142-E326 PolarHBondContact NZ-O 3.13Å; K142-E326 IonicContact NZ-OE2 2.82Å; K142-E326 PolarHBondContact NZ-OE2 3.02Å; K142-I328 HydrophobicContact CG-CG2 4.48Å
143	Y	98.8	Very high	97.4	Very high	18 Å²	18	10.4 Å²	10.4	7%	0.071	5%	0.051	C	C	.	.	H	α-helix	trans	-58.8	-48.6	175.2	-173.5	-83.3	0	0	0	111.4	F82 K83 H84 I87 R139 G140 L141 H145 S146 A147 A329	F82-Y143 HydrophobicContact CB-CE1 4.01Å; F82-Y143 AromaticContact CD1-CE1 3.8Å; F82-Y143 HydrophobicContact CD1-CE1 3.8Å; F82-Y143 HydrophobicContact CD2-CD1 4.49Å; F82-Y143 HydrophobicContact CD2-CE1 4.31Å; F82-Y143 HydrophobicContact CE1-CE1 4.29Å; F82-Y143 HydrophobicContact CG-CD1 4.4Å; F82-Y143 AromaticContact CG-CE1 3.79Å; F82-Y143 HydrophobicContact CG-CE1 3.79Å; K83-Y143 PolarHBondContact N-OH 3.14Å; H84-Y143 HydrophobicContact CB-CD1 4.06Å; H84-Y143 HydrophobicContact CB-CD2 4.11Å; H84-Y143 HydrophobicContact CB-CE1 4.37Å; H84-Y143 HydrophobicContact CB-CE2 4.39Å; H84-Y143 HydrophobicContact CB-CG 3.93Å; H84-Y143 AromaticContact CD2-CD2 3.54Å; H84-Y143 AromaticContact CD2-CG 3.66Å; H84-Y143 AromaticContact CG-CG 3.93Å; I87-Y143 HydrophobicContact CD1-CD1 3.59Å; I87-Y143 HydrophobicContact CD1-CE1 4.34Å; I87-Y143 HydrophobicContact CD1-CG 4.28Å; R139-Y143 PolarHBondContact O-N 3.1Å; G140-Y143 WeakPolarHBondContact O-CB 3.07Å; G140-Y143 PolarHBondContact O-N 3.1Å; L141-Y143 VanDerWaalsContact C-N 3.33Å; L141-Y143 PolarHBondContact O-N 3.42Å; Y143-H145 PolarHBondContact O-N 3.03Å; Y143-S146 PolarHBondContact O-N 2.89Å; Y143-S146 PolarHBondContact O-OG 2.93Å; Y143-A147 PolarHBondContact O-N 3.21Å; Y143-A329 HydrophobicContact CE1-CB 4.17Å; Y143-A329 HydrophobicContact CE2-CB 4.24Å
144	I	98.6	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.4	-48.2	178.2	-62.4	166.6	0	0	0	111.3	F82 I87 G140 L141 K142 A147 V149 I169 F172	F82-I144 HydrophobicContact CE2-CB 4.35Å; F82-I144 HydrophobicContact CE2-CG1 3.93Å; F82-I144 HydrophobicContact CE2-CG2 4.31Å; I87-I144 HydrophobicContact CD1-CD1 4.11Å; I87-I144 HydrophobicContact CD1-CG1 3.55Å; I87-I144 HydrophobicContact CG1-CD1 4.43Å; I87-I144 HydrophobicContact CG1-CG1 4.39Å; G140-I144 VanDerWaalsContact O-CG1 3.29Å; G140-I144 WeakPolarHBondContact O-CG1 3.39Å; G140-I144 PolarHBondContact O-N 3.15Å; G140-I144 VanDerWaalsContact O-N 3.09Å; L141-I144 HydrophobicContact CD1-CB 4.45Å; L141-I144 HydrophobicContact CD1-CD1 4.37Å; L141-I144 PolarHBondContact O-N 2.8Å; K142-I144 PolarHBondContact O-N 3.19Å; I144-A147 WeakPolarHBondContact O-CB 3.47Å; I144-A147 PolarHBondContact O-N 3.45Å; I144-V149 HydrophobicContact CG2-CB 3.92Å; I144-V149 HydrophobicContact CG2-CG1 3.92Å; I144-V149 WeakPolarHBondContact CG2-O 3.21Å; I144-V149 PolarHBondContact O-N 3.02Å; I144-V149 VanDerWaalsContact O-N 3.14Å; I144-I169 HydrophobicContact CD1-CD1 3.93Å; I144-I169 HydrophobicContact CD1-CG2 4.37Å; I144-F172 HydrophobicContact CD1-CE1 3.83Å; I144-F172 HydrophobicContact CD1-CZ 3.71Å; I144-F172 HydrophobicContact CG1-CE1 4.07Å; I144-F172 HydrophobicContact CG1-CZ 4.19Å; I144-F172 HydrophobicContact CG2-CE1 4.43Å
145	H	98.1	Very high	97.2	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.009	6%	0.055	C	C	.	.	H	α-helix	trans	-70.7	-32.7	-177.5	-77.5	-166.9	0	0	0	112.8	L141 K142 Y143 A147 N148 V149 K211 D214 V308	L141-H145 WeakPolarHBondContact CD1-NE2 3.37Å; L141-H145 WeakPolarHBondContact O-CB 3.37Å; L141-H145 PolarHBondContact O-N 3.36Å; K142-H145 PolarHBondContact O-N 3.17Å; Y143-H145 PolarHBondContact O-N 3.03Å; H145-A147 PolarHBondContact O-N 2.9Å; H145-N148 WeakPolarHBondContact O-CA 3.22Å; H145-N148 PolarHBondContact O-N 3.41Å; H145-V149 PolarHBondContact CD2-O 3.33Å; H145-K211 HydrophobicContact CB-CD 3.94Å; H145-K211 HydrophobicContact CB-CG 4.37Å; H145-K211 PolarHBondContact CE1-O 2.91Å; H145-K211 VanDerWaalsContact CE1-O 3.31Å; H145-K211 WeakPolarHBondContact O-CE 3.47Å; H145-K211 PolarHBondContact O-NZ 2.96Å; H145-D214 IonicContact CD2-OD2 2.84Å; H145-D214 IonicContact CE1-OD2 3.49Å; H145-D214 IonicContact NE2-OD2 3.59Å; H145-D214 PolarHBondContact NE2-OD2 3.03Å; H145-V308 HydrophobicContact CB-CG1 4.22Å
146	S	98.1	Very high	97.2	Very high	29 Å²	29	10.9 Å²	10.9	20%	0.203	5%	0.053	C	C	.	.	H	α-helix	trans	-65.7	-28.5	173.2	74.3	0	0	0	0	112.4	K142 Y143 N148 I328 A329	K142-S146 VanDerWaalsContact O-CB 3.27Å; K142-S146 WeakPolarHBondContact O-CB 3.38Å; K142-S146 PolarHBondContact O-N 3.46Å; K142-S146 PolarHBondContact O-OG 2.87Å; Y143-S146 PolarHBondContact O-N 2.89Å; Y143-S146 PolarHBondContact O-OG 2.93Å; S146-N148 PolarHBondContact O-N 2.8Å; S146-I328 WeakPolarHBondContact OG-CA 3.12Å; S146-I328 WeakPolarHBondContact OG-CB 3.49Å; S146-A329 PolarHBondContact OG-N 3.12Å
147	A	96.9	Very high	97	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.008	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	7	170.4	0	0	0	0	0	113	F82 Y143 I144 H145 V149 A329 F333	F82-A147 HydrophobicContact CE1-CB 3.58Å; F82-A147 HydrophobicContact CZ-CB 3.73Å; Y143-A147 PolarHBondContact O-N 3.21Å; I144-A147 WeakPolarHBondContact O-CB 3.47Å; I144-A147 PolarHBondContact O-N 3.45Å; H145-A147 PolarHBondContact O-N 2.9Å; A147-V149 HydrophobicContact CB-CG2 4.2Å; A147-V149 PolarHBondContact O-N 3.35Å; A147-A329 HydrophobicContact CB-CB 3.62Å; A147-F333 HydrophobicContact CB-CB 4.44Å; A147-F333 WeakPolarHBondContact O-CB 3.33Å; A147-F333 PolarHBondContact O-N 3.32Å
148	N	95.3	Very high	96.9	Very high	55 Å²	55	13.2 Å²	13.2	29%	0.294	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	31	-172.8	-159	49.3	0	0	0	113.6	H145 S146 V177 A178 P332	H145-N148 WeakPolarHBondContact O-CA 3.22Å; H145-N148 PolarHBondContact O-N 3.41Å; S146-N148 PolarHBondContact O-N 2.8Å; N148-V177 WeakPolarHBondContact ND2-CG1 3.27Å; N148-V177 CarbonylContact O-C 3.46Å; N148-V177 VanDerWaalsContact O-CA 3.3Å; N148-V177 WeakPolarHBondContact O-CA 3.44Å; N148-A178 PolarHBondContact ND2-O 2.93Å; N148-A178 PolarHBondContact O-N 3.33Å; N148-A178 WeakPolarHBondContact OD1-CB 3.22Å; N148-P332 HydrophobicContact CB-CB 4.13Å
149	V	94.8	Very high	96.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.7	175.7	177	0	0	0	0	109.6	I78 F82 I144 H145 A147 A175 R176 F333	I78-V149 HydrophobicContact CD1-CG1 4.23Å; F82-V149 HydrophobicContact CE1-CG2 4.44Å; F82-V149 HydrophobicContact CZ-CB 4Å; F82-V149 HydrophobicContact CZ-CG1 4.35Å; F82-V149 HydrophobicContact CZ-CG2 3.81Å; I144-V149 HydrophobicContact CG2-CB 3.92Å; I144-V149 HydrophobicContact CG2-CG1 3.92Å; I144-V149 WeakPolarHBondContact CG2-O 3.21Å; I144-V149 PolarHBondContact O-N 3.02Å; I144-V149 VanDerWaalsContact O-N 3.14Å; H145-V149 PolarHBondContact CD2-O 3.33Å; A147-V149 HydrophobicContact CB-CG2 4.2Å; A147-V149 PolarHBondContact O-N 3.35Å; V149-A175 HydrophobicContact CG1-CB 4.15Å; V149-R176 CarbonylContact C-O 3.56Å; V149-R176 WeakPolarHBondContact CA-O 3.28Å; V149-F333 HydrophobicContact CG2-CB 3.51Å; V149-F333 HydrophobicContact CG2-CD1 4.34Å; V149-F333 HydrophobicContact CG2-CG 3.97Å
150	L	94.1	Very high	96.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135	171.4	-53.5	178.3	0	0	0	108.6	R152 A175 R176 A178 Y209 K211 D214	L150-R152 HydrophobicContact CB-CG 3.63Å; L150-A175 WeakPolarHBondContact O-CA 3.35Å; L150-A175 VanDerWaalsContact O-CB 3.23Å; L150-A175 WeakPolarHBondContact O-CB 3.29Å; L150-R176 PolarHBondContact N-O 3.48Å; L150-R176 PolarHBondContact O-N 3.35Å; L150-R176 VanDerWaalsContact O-N 3.15Å; L150-A178 HydrophobicContact CD1-CB 4.01Å; L150-A178 HydrophobicContact CD2-CB 3.89Å; L150-A178 HydrophobicContact CG-CB 3.84Å; L150-Y209 VanDerWaalsContact CD1-CA 3.48Å; L150-K211 HydrophobicContact CD2-CB 4.24Å; L150-K211 HydrophobicContact CD2-CG 3.77Å; L150-D214 WeakPolarHBondContact CA-OD2 3.32Å
151	H	95.7	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.			trans	-76.9	-44.5	178.1	-172.6	-80	0	0	0	111.6	D153 L154 C170 D171 F172 D214	H151-D153 PolarHBondContact CE1-O 2.75Å; H151-D153 VanDerWaalsContact ND1-C 3.31Å; H151-D153 PolarHBondContact ND1-N 2.86Å; H151-D153 PolarHBondContact O-N 2.87Å; H151-L154 HydrophobicContact CB-CD1 4.4Å; H151-L154 HydrophobicContact CB-CD2 4.13Å; H151-L154 HydrophobicContact CB-CG 3.9Å; H151-L154 PolarHBondContact ND1-N 2.8Å; H151-C170 PolarHBondContact NE2-O 2.87Å; H151-C170 VanDerWaalsContact NE2-O 3.07Å; H151-D171 PolarHBondContact CE1-O 3.21Å; H151-D171 PolarHBondContact NE2-O 3.47Å; H151-F172 AromaticContact CD2-CE1 3.85Å; H151-F172 AromaticContact CD2-CZ 3.9Å; H151-D214 PolarHBondContact N-OD1 2.78Å; H151-D214 PolarHBondContact N-OD2 3.41Å
152	R	92.8	Very high	96.6	Very high	44 Å²	44	16.3 Å²	16.3	17%	0.166	9%	0.086	C	C	.	.			trans	67.7	-6.3	173.4	-49.3	-176.4	62.6	-143.4	9	117	L150 L174 K207 G208 I213 D214	L150-R152 HydrophobicContact CB-CG 3.63Å; R152-L174 WeakPolarHBondContact CD-O 3.49Å; R152-L174 PolarHBondContact NH1-O 2.89Å; R152-K207 PolarHBondContact NH2-O 2.98Å; R152-G208 PolarHBondContact NE-O 3.27Å; R152-I213 HydrophobicContact CB-CD1 4.28Å; R152-I213 HydrophobicContact CG-CD1 3.79Å; R152-D214 PolarHBondContact N-OD1 3.45Å
153	D	93	Very high	96.3	Very high	18 Å²	18	20.9 Å²	20.9	10%	0.096	12%	0.116	C	C	.	.			trans	-140.7	41.9	175.6	-163.8	26.8	0	0	0	112.6	H151 K155 N158 L174	H151-D153 PolarHBondContact CE1-O 2.75Å; H151-D153 VanDerWaalsContact ND1-C 3.31Å; H151-D153 PolarHBondContact ND1-N 2.86Å; H151-D153 PolarHBondContact O-N 2.87Å; D153-K155 PolarHBondContact O-N 2.76Å; D153-K155 IonicContact OD1-NZ 3.84Å; D153-K155 PolarHBondContact OD1-NZ 3.07Å; D153-K155 IonicContact OD2-NZ 3.93Å; D153-K155 PolarHBondContact OD2-NZ 3.31Å; D153-N158 PolarHBondContact O-ND2 2.81Å; D153-L174 HydrophobicContact CB-CB 4.3Å; D153-L174 HydrophobicContact CB-CD1 3.83Å
154	L	97.4	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.			trans	-69.2	126	173.5	-72	174.9	0	0	0	110	L141 H151 I169 Y197 D214 V218 I221	L141-L154 HydrophobicContact CD1-CD1 4.01Å; L141-L154 HydrophobicContact CD2-CD1 4.27Å; H151-L154 HydrophobicContact CB-CD1 4.4Å; H151-L154 HydrophobicContact CB-CD2 4.13Å; H151-L154 HydrophobicContact CB-CG 3.9Å; H151-L154 PolarHBondContact ND1-N 2.8Å; L154-I169 HydrophobicContact CD2-CG2 3.83Å; L154-Y197 WeakPolarHBondContact O-CB 3.42Å; L154-D214 HydrophobicContact CD1-CB 3.91Å; L154-V218 HydrophobicContact CD1-CG2 3.89Å; L154-I221 HydrophobicContact CB-CD1 4.19Å
155	K	97.1	Very high	96	Very high	26 Å²	26	25.9 Å²	25.9	11%	0.113	15%	0.15	C	C	.	.			trans	-162.3	161.2	178.7	61.6	-166.8	178	-145.5	0	109.5	D153 S157 N158 Y197	D153-K155 PolarHBondContact O-N 2.76Å; D153-K155 IonicContact OD1-NZ 3.84Å; D153-K155 PolarHBondContact OD1-NZ 3.07Å; D153-K155 IonicContact OD2-NZ 3.93Å; D153-K155 PolarHBondContact OD2-NZ 3.31Å; K155-S157 VanDerWaalsContact CE-OG 3.26Å; K155-S157 WeakPolarHBondContact CE-OG 3.39Å; K155-S157 PolarHBondContact O-N 3.47Å; K155-S157 VanDerWaalsContact O-N 3.08Å; K155-N158 WeakPolarHBondContact CE-ND2 3.35Å; K155-N158 WeakPolarHBondContact CE-OD1 3.44Å; K155-N158 HydrophobicContact CG-CB 4.18Å; K155-N158 PolarHBondContact O-N 2.93Å; K155-Y197 HydrophobicContact CB-CD1 4.38Å; K155-Y197 HydrophobicContact CB-CD2 3.51Å; K155-Y197 HydrophobicContact CB-CE1 4.34Å; K155-Y197 HydrophobicContact CB-CE2 3.46Å; K155-Y197 VanDerWaalsContact CB-CE2 3.46Å; K155-Y197 HydrophobicContact CB-CG 4Å
156	P	98.1	Very high	96	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.7	-29.1	-175.8	-27.3	36.9	0	0	0	114.9	L116 Y117 L120 N158 L159 Y197 I221	L116-P156 HydrophobicContact CB-CB 4.04Å; L116-P156 WeakPolarHBondContact CB-O 3.43Å; L116-P156 HydrophobicContact CD2-CB 4.19Å; L116-P156 HydrophobicContact CG-CB 4.11Å; L116-P156 PolarHBondContact N-O 3.34Å; Y117-P156 PolarHBondContact N-O 3.33Å; Y117-P156 VanDerWaalsContact N-O 3.12Å; L120-P156 HydrophobicContact CD1-CB 4.34Å; L120-P156 HydrophobicContact CD1-CG 4.39Å; P156-N158 PolarHBondContact O-N 2.89Å; P156-L159 PolarHBondContact O-N 2.78Å; P156-Y197 VanDerWaalsContact CD-CE1 3.45Å; P156-Y197 WeakPolarHBondContact CD-OH 3.4Å; P156-Y197 HydrophobicContact CG-CE1 4.16Å; P156-I221 HydrophobicContact CG-CG1 4.28Å
157	S	95.6	Very high	96	Very high	44 Å²	44	27.5 Å²	27.5	31%	0.308	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-73.6	-16.4	177.1	66.3	0	0	0	0	113.8	K155	K155-S157 VanDerWaalsContact CE-OG 3.26Å; K155-S157 WeakPolarHBondContact CE-OG 3.39Å; K155-S157 PolarHBondContact O-N 3.47Å; K155-S157 VanDerWaalsContact O-N 3.08Å
158	N	97	Very high	96.1	Very high	11 Å²	11	29 Å²	29	6%	0.059	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-100.5	12.7	179.3	-69.4	8.2	0	0	0	111.7	D153 K155 P156 C170	D153-N158 PolarHBondContact O-ND2 2.81Å; K155-N158 WeakPolarHBondContact CE-ND2 3.35Å; K155-N158 WeakPolarHBondContact CE-OD1 3.44Å; K155-N158 HydrophobicContact CG-CB 4.18Å; K155-N158 PolarHBondContact O-N 2.93Å; P156-N158 PolarHBondContact O-N 2.89Å; N158-C170 PolarHBondContact O-N 3.15Å
159	L	98.5	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	96.6	176.2	-59.7	179.3	0	0	0	107.8	D115 L116 I137 P156 L167 I169 I221	D115-L159 CarbonylContact C-O 3.44Å; D115-L159 VanDerWaalsContact CA-O 3.3Å; D115-L159 WeakPolarHBondContact CA-O 3.37Å; L116-L159 HydrophobicContact CB-CB 4.03Å; L116-L159 HydrophobicContact CD2-CD1 3.7Å; L116-L159 PolarHBondContact N-O 3.32Å; I137-L159 HydrophobicContact CD1-CD1 3.53Å; I137-L159 HydrophobicContact CG1-CD1 3.86Å; I137-L159 HydrophobicContact CG1-CD2 4.15Å; P156-L159 PolarHBondContact O-N 2.78Å; L159-L167 HydrophobicContact CB-CD1 4.31Å; L159-L167 HydrophobicContact CB-CG 4.49Å; L159-L167 HydrophobicContact CD2-CD2 4.23Å; L159-I169 HydrophobicContact CD2-CB 4.5Å; L159-I169 HydrophobicContact CD2-CG1 3.82Å; L159-I221 HydrophobicContact CD1-CD1 4.01Å; L159-I221 HydrophobicContact CD1-CG2 3.98Å
160	L	98.4	Very high	96.3	Very high	35 Å²	35	27.2 Å²	27.2	18%	0.183	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	145.7	-178.2	-54.1	179.7	0	0	0	110.2	I88 M112 D115 L167 K168 C170	I88-L160 HydrophobicContact CD1-CD1 4.31Å; M112-L160 HydrophobicContact CB-CB 3.72Å; M112-L160 HydrophobicContact CB-CD1 4.28Å; M112-L160 HydrophobicContact CE-CB 4.19Å; M112-L160 HydrophobicContact CG-CB 3.63Å; M112-L160 HydrophobicContact CG-CD1 3.9Å; M112-L160 HydrophobicContact CG-CG 4.41Å; D115-L160 HydrophobicContact CB-CD2 4.19Å; L160-L167 CarbonylContact O-C 3.55Å; L160-L167 VanDerWaalsContact O-CA 3.27Å; L160-L167 WeakPolarHBondContact O-CA 3.42Å; L160-K168 PolarHBondContact N-O 3.28Å; L160-K168 PolarHBondContact O-N 2.53Å; L160-C170 HydrophobicContact CD1-CB 3.88Å; L160-C170 HydrophobicContact CG-CB 4.14Å
161	L	97.9	Very high	96.3	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141	-175.8	-66.7	172.7	0	0	0	110.7	E113 T114 L116 L119 F133 D166 L167	E113-L161 PolarHBondContact N-O 3.23Å; E113-L161 VanDerWaalsContact N-O 3.15Å; T114-L161 HydrophobicContact CG2-CB 3.85Å; T114-L161 PolarHBondContact N-O 3.08Å; T114-L161 PolarHBondContact O-N 3.39Å; L116-L161 HydrophobicContact CB-CD1 4.16Å; L116-L161 HydrophobicContact CD1-CD1 4.06Å; L119-L161 HydrophobicContact CB-CD1 4.42Å; L119-L161 HydrophobicContact CD2-CD1 3.59Å; F133-L161 HydrophobicContact CD1-CD2 3.81Å; F133-L161 HydrophobicContact CE1-CD1 4.29Å; F133-L161 HydrophobicContact CE1-CD2 3.46Å; F133-L161 VanDerWaalsContact CE1-CD2 3.46Å; F133-L161 HydrophobicContact CZ-CD1 4.12Å; F133-L161 HydrophobicContact CZ-CD2 4.11Å; L161-D166 WeakPolarHBondContact CA-O 3.21Å; L161-L167 HydrophobicContact CD2-CB 3.72Å; L161-L167 HydrophobicContact CD2-CD1 3.97Å; L161-L167 HydrophobicContact CD2-CG 3.99Å
162	N	94.4	Very high	96.2	Very high	34 Å²	34	29.2 Å²	29.2	18%	0.182	16%	0.164	C	C	.	.			trans	-103.5	179.2	170	72.8	6.2	0	0	0	112.6	M112 E113 T164 C165 D166	M112-N162 HydrophobicContact CE-CB 4.07Å; M112-N162 HydrophobicContact SD-CB 4.4Å; E113-N162 WeakPolarHBondContact OE2-CA 3.28Å; E113-N162 WeakPolarHBondContact OE2-CB 3.36Å; N162-T164 VanDerWaalsContact CG-OG1 3.28Å; N162-T164 PolarHBondContact ND2-OG1 3.42Å; N162-T164 VanDerWaalsContact ND2-OG1 3.13Å; N162-T164 PolarHBondContact O-N 2.85Å; N162-T164 PolarHBondContact OD1-N 2.72Å; N162-T164 VanDerWaalsContact OD1-N 3.09Å; N162-T164 PolarHBondContact OD1-OG1 3.47Å; N162-C165 PolarHBondContact O-N 2.91Å; N162-C165 VanDerWaalsContact O-N 3.13Å; N162-C165 PolarHBondContact OD1-N 2.74Å; N162-C165 VanDerWaalsContact OD1-N 3.1Å; N162-D166 PolarHBondContact N-O 3.16Å; N162-D166 WeakPolarHBondContact ND2-CB 3.44Å; N162-D166 PolarHBondContact ND2-OD2 3.13Å; N162-D166 WeakPolarHBondContact OD1-CB 3.11Å; N162-D166 PolarHBondContact OD1-N 3.36Å; N162-D166 PolarHBondContact OD1-OD2 3.46Å
163	T	91.5	Very high	95.9	Very high	116 Å²	116	27.1 Å²	27.1	71%	0.712	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.7	179.4	42.1	0	0	0	0	114.5	E113 C165	E113-T163 HydrophobicContact CG-CG2 4.05Å; E113-T163 WeakPolarHBondContact OE1-CB 3.41Å; E113-T163 VanDerWaalsContact OE1-CG2 3.31Å; E113-T163 WeakPolarHBondContact OE1-CG2 3.05Å; E113-T163 PolarHBondContact OE1-N 2.84Å; E113-T163 PolarHBondContact OE1-OG1 3.06Å; T163-C165 VanDerWaalsContact C-N 3.34Å
164	T	94.3	Very high	95.7	Very high	91 Å²	91	26.9 Å²	26.9	56%	0.558	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	7.8	176.3	44.3	0	0	0	0	113.4	N162 D166	N162-T164 VanDerWaalsContact CG-OG1 3.28Å; N162-T164 PolarHBondContact ND2-OG1 3.42Å; N162-T164 VanDerWaalsContact ND2-OG1 3.13Å; N162-T164 PolarHBondContact O-N 2.85Å; N162-T164 PolarHBondContact OD1-N 2.72Å; N162-T164 VanDerWaalsContact OD1-N 3.09Å; N162-T164 PolarHBondContact OD1-OG1 3.47Å; T164-D166 VanDerWaalsContact C-N 3.26Å; T164-D166 PolarHBondContact O-N 3.07Å; T164-D166 PolarHBondContact OG1-OD2 3.02Å
165	C	96.3	Very high	95.3	Very high	33 Å²	33	26.9 Å²	26.9	22%	0.223	16%	0.155	C	C	.	.			trans	66.2	21.8	-178	-61.6	0	0	0	0	114.5	Y132 F133 Q136 N162 T163	Y132-C165 HydrophobicContact CD1-CB 4.32Å; Y132-C165 HydrophobicContact CE1-CB 4.21Å; Y132-C165 WeakPolarHBondContact CE1-O 3.31Å; F133-C165 HydrophobicContact CE1-CB 3.73Å; F133-C165 HydrophobicContact CZ-CB 4.13Å; Q136-C165 PolarHBondContact NE2-O 2.79Å; N162-C165 PolarHBondContact O-N 2.91Å; N162-C165 VanDerWaalsContact O-N 3.13Å; N162-C165 PolarHBondContact OD1-N 2.74Å; N162-C165 VanDerWaalsContact OD1-N 3.1Å; T163-C165 VanDerWaalsContact C-N 3.34Å
166	D	97.9	Very high	94.8	Very high	64 Å²	64	27.4 Å²	27.4	34%	0.342	16%	0.157	S	C	.	.			trans	-73.3	132.4	167.9	-51.2	-51.7	0	0	0	109.4	M112 L161 N162 T164	M112-D166 WeakPolarHBondContact CE-O 3.23Å; L161-D166 WeakPolarHBondContact CA-O 3.21Å; N162-D166 PolarHBondContact N-O 3.16Å; N162-D166 WeakPolarHBondContact ND2-CB 3.44Å; N162-D166 PolarHBondContact ND2-OD2 3.13Å; N162-D166 WeakPolarHBondContact OD1-CB 3.11Å; N162-D166 PolarHBondContact OD1-N 3.36Å; N162-D166 PolarHBondContact OD1-OD2 3.46Å; T164-D166 VanDerWaalsContact C-N 3.26Å; T164-D166 PolarHBondContact O-N 3.07Å; T164-D166 PolarHBondContact OG1-OD2 3.02Å
167	L	98.8	Very high	94.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.4	-174.2	-178.6	153.9	0	0	0	110.8	N86 F133 Q136 I137 L159 L160 L161 I169	N86-L167 WeakPolarHBondContact CA-O 2.96Å; N86-L167 WeakPolarHBondContact CB-O 3.33Å; N86-L167 PolarHBondContact ND2-O 3.35Å; F133-L167 HydrophobicContact CB-CD1 4.2Å; F133-L167 HydrophobicContact CD1-CD1 4.24Å; Q136-L167 HydrophobicContact CB-CB 3.94Å; Q136-L167 HydrophobicContact CB-CD2 4.33Å; I137-L167 HydrophobicContact CD1-CD1 4.06Å; I137-L167 HydrophobicContact CG1-CD1 3.61Å; I137-L167 HydrophobicContact CG1-CD2 3.87Å; I137-L167 HydrophobicContact CG1-CG 4.44Å; L159-L167 HydrophobicContact CB-CD1 4.31Å; L159-L167 HydrophobicContact CB-CG 4.49Å; L159-L167 HydrophobicContact CD2-CD2 4.23Å; L160-L167 CarbonylContact O-C 3.55Å; L160-L167 VanDerWaalsContact O-CA 3.27Å; L160-L167 WeakPolarHBondContact O-CA 3.42Å; L161-L167 HydrophobicContact CD2-CB 3.72Å; L161-L167 HydrophobicContact CD2-CD1 3.97Å; L161-L167 HydrophobicContact CD2-CG 3.99Å; L167-I169 HydrophobicContact CD2-CG1 4.32Å
168	K	98.8	Very high	93.5	Very high	34 Å²	34	27.6 Å²	27.6	15%	0.148	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.7	172.8	-69.3	-177.5	-178.4	-70.7	0	111.7	E85 I88 D110 M112 L160	E85-K168 WeakPolarHBondContact O-CG 3.31Å; E85-K168 PolarHBondContact O-NZ 2.83Å; I88-K168 HydrophobicContact CB-CB 4.49Å; I88-K168 HydrophobicContact CD1-CD 3.81Å; D110-K168 WeakPolarHBondContact OD2-CE 3.36Å; D110-K168 IonicContact OD2-NZ 3.02Å; M112-K168 HydrophobicContact CE-CB 4.19Å; M112-K168 HydrophobicContact CE-CD 4.15Å; M112-K168 HydrophobicContact CE-CG 4.04Å; M112-K168 HydrophobicContact SD-CD 3.88Å; M112-K168 HydrophobicContact SD-CG 4.43Å; L160-K168 PolarHBondContact N-O 3.28Å; L160-K168 PolarHBondContact O-N 2.53Å
169	I	98.8	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	134	170.6	-58.6	169.8	0	0	0	109.1	N86 I88 I144 L154 L159 L167 F172	N86-I169 PolarHBondContact O-N 3.31Å; I88-I169 WeakPolarHBondContact CG2-O 3.05Å; I88-I169 PolarHBondContact N-O 2.78Å; I144-I169 HydrophobicContact CD1-CD1 3.93Å; I144-I169 HydrophobicContact CD1-CG2 4.37Å; L154-I169 HydrophobicContact CD2-CG2 3.83Å; L159-I169 HydrophobicContact CD2-CB 4.5Å; L159-I169 HydrophobicContact CD2-CG1 3.82Å; L167-I169 HydrophobicContact CD2-CG1 4.32Å; I169-F172 HydrophobicContact CG2-CE2 4.2Å; I169-F172 HydrophobicContact CG2-CZ 4.16Å
170	C	96.6	Very high	91.5	Very high	16 Å²	16	33.4 Å²	33.4	11%	0.108	19%	0.192	C	C	.	.			trans	-133.9	173.5	178.2	74.2	0	0	0	0	113.2	I88 H151 N158 L160	I88-C170 HydrophobicContact CB-CB 4.16Å; I88-C170 HydrophobicContact CG2-CB 3.63Å; H151-C170 PolarHBondContact NE2-O 2.87Å; H151-C170 VanDerWaalsContact NE2-O 3.07Å; N158-C170 PolarHBondContact O-N 3.15Å; L160-C170 HydrophobicContact CD1-CB 3.88Å; L160-C170 HydrophobicContact CG-CB 4.14Å
171	D	92.8	Very high	90.3	Very high	42 Å²	42	38.6 Å²	38.6	23%	0.225	22%	0.22	C	C	.	.			trans	66.5	74.4	178.4	-165.7	8.5	0	0	0	115	H151 G173	H151-D171 PolarHBondContact CE1-O 3.21Å; H151-D171 PolarHBondContact NE2-O 3.47Å; D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.26Å
172	F	93.6	Very high	89	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.			trans	-87.8	15.3	178.2	-73.7	-103.5	0	0	0	113.3	E75 I78 L79 F82 I87 I144 H151 I169 L174 A175	E75-F172 HydrophobicContact CG-CB 4.43Å; I78-F172 HydrophobicContact CG2-CB 4.48Å; I78-F172 HydrophobicContact CG2-CD1 3.69Å; I78-F172 HydrophobicContact CG2-CE1 4.19Å; I78-F172 HydrophobicContact CG2-CG 4.22Å; L79-F172 HydrophobicContact CD2-CD2 3.47Å; L79-F172 VanDerWaalsContact CD2-CD2 3.47Å; L79-F172 HydrophobicContact CD2-CE2 3.64Å; L79-F172 HydrophobicContact CD2-CG 4.08Å; L79-F172 HydrophobicContact CD2-CZ 4.36Å; L79-F172 HydrophobicContact CG-CD2 4.16Å; F82-F172 HydrophobicContact CD2-CE1 4.18Å; F82-F172 HydrophobicContact CD2-CZ 4.43Å; F82-F172 AromaticContact CE2-CE1 3.89Å; F82-F172 HydrophobicContact CE2-CE1 3.89Å; I87-F172 HydrophobicContact CG2-CE2 3.78Å; I87-F172 HydrophobicContact CG2-CZ 3.71Å; I144-F172 HydrophobicContact CD1-CE1 3.83Å; I144-F172 HydrophobicContact CD1-CZ 3.71Å; I144-F172 HydrophobicContact CG1-CE1 4.07Å; I144-F172 HydrophobicContact CG1-CZ 4.19Å; I144-F172 HydrophobicContact CG2-CE1 4.43Å; H151-F172 AromaticContact CD2-CE1 3.85Å; H151-F172 AromaticContact CD2-CZ 3.9Å; I169-F172 HydrophobicContact CG2-CE2 4.2Å; I169-F172 HydrophobicContact CG2-CZ 4.16Å; F172-L174 PolarHBondContact O-N 3.32Å; F172-A175 HydrophobicContact CB-CB 4.13Å; F172-A175 HydrophobicContact CD1-CB 4.06Å; F172-A175 WeakPolarHBondContact O-CB 3.34Å; F172-A175 PolarHBondContact O-N 3.43Å; F172-A175 VanDerWaalsContact O-N 3.08Å
173	G	87.8	Confident	87.6	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-30.8	-176.1	0	0	0	0	0	113.8	R71 D171	R71-G173 WeakPolarHBondContact CA-O 3.26Å; R71-G173 WeakPolarHBondContact CG-O 3.42Å; D171-G173 VanDerWaalsContact C-N 3.27Å; D171-G173 PolarHBondContact O-N 3.26Å
174	L	87.8	Confident	86.1	Confident	12 Å²	12	42.8 Å²	42.8	6%	0.063	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.1	177.7	-65.8	-175.8	0	0	0	114.1	R152 D153 F172 Y191	R152-L174 WeakPolarHBondContact CD-O 3.49Å; R152-L174 PolarHBondContact NH1-O 2.89Å; D153-L174 HydrophobicContact CB-CB 4.3Å; D153-L174 HydrophobicContact CB-CD1 3.83Å; F172-L174 PolarHBondContact O-N 3.32Å; L174-Y191 HydrophobicContact CD1-CE1 4.07Å
175	A	89.3	Confident	84.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.			trans	-62.1	152.7	-177.9	0	0	0	0	0	112.2	R74 I78 V149 L150 F172	R74-A175 WeakPolarHBondContact CD-O 3.5Å; I78-A175 HydrophobicContact CD1-CB 3.55Å; V149-A175 HydrophobicContact CG1-CB 4.15Å; L150-A175 WeakPolarHBondContact O-CA 3.35Å; L150-A175 VanDerWaalsContact O-CB 3.23Å; L150-A175 WeakPolarHBondContact O-CB 3.29Å; F172-A175 HydrophobicContact CB-CB 4.13Å; F172-A175 HydrophobicContact CD1-CB 4.06Å; F172-A175 WeakPolarHBondContact O-CB 3.34Å; F172-A175 PolarHBondContact O-N 3.43Å; F172-A175 VanDerWaalsContact O-N 3.08Å
176	R	86.3	Confident	82.3	Confident	38 Å²	38	41.4 Å²	41.4	14%	0.143	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.2	178.7	-76.7	-62.3	-171	-71.2	-2.3	110.7	R74 V149 L150 D340	R74-R176 VanDerWaalsContact NH2-CZ 3.31Å; V149-R176 CarbonylContact C-O 3.56Å; V149-R176 WeakPolarHBondContact CA-O 3.28Å; L150-R176 PolarHBondContact N-O 3.48Å; L150-R176 PolarHBondContact O-N 3.35Å; L150-R176 VanDerWaalsContact O-N 3.15Å; R176-D340 IonicContact CZ-OD1 3.71Å; R176-D340 IonicContact NE-OD1 3.05Å; R176-D340 IonicContact NE-OD2 3.75Å; R176-D340 IonicContact NH2-OD1 2.69Å; R176-D340 PolarHBondContact NH2-OD1 3.45Å; R176-D340 IonicContact NH2-OD2 3.01Å; R176-D340 PolarHBondContact NH2-OD2 2.72Å
177	V	86.1	Confident	79.5	Confident	38 Å²	38	40.8 Å²	40.8	23%	0.23	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.4	162.7	178.6	0	0	0	0	107.8	N148 F333 F335	N148-V177 WeakPolarHBondContact ND2-CG1 3.27Å; N148-V177 CarbonylContact O-C 3.46Å; N148-V177 VanDerWaalsContact O-CA 3.3Å; N148-V177 WeakPolarHBondContact O-CA 3.44Å; V177-F333 HydrophobicContact CG2-CD1 3.96Å; V177-F335 HydrophobicContact CG2-CD2 3.69Å; V177-F335 HydrophobicContact CG2-CE2 3.92Å
178	A	79.8	Confident	77.1	Confident	10 Å²	10	45.3 Å²	45.3	8%	0.083	25%	0.249	C	C	.	.			trans	-67.2	135.1	176.4	0	0	0	0	0	109.9	N148 L150	N148-A178 PolarHBondContact ND2-O 2.93Å; N148-A178 PolarHBondContact O-N 3.33Å; N148-A178 WeakPolarHBondContact OD1-CB 3.22Å; L150-A178 HydrophobicContact CD1-CB 4.01Å; L150-A178 HydrophobicContact CD2-CB 3.89Å; L150-A178 HydrophobicContact CG-CB 3.84Å
179	D	80.3	Confident	74.6	Confident	56 Å²	56	48 Å²	48	30%	0.299	27%	0.269	S	S	.	.			trans	-143.5	77.2	-177.1	-174.9	-2.8	0	0	0	109.2	D181 H182 D183 Y209	D179-D181 PolarHBondContact O-N 3.12Å; D179-H182 PolarHBondContact O-N 3.22Å; D179-H182 IonicContact OD1-CE1 3.17Å; D179-H182 IonicContact OD1-CG 3.45Å; D179-H182 PolarHBondContact OD1-N 3.25Å; D179-H182 IonicContact OD1-ND1 2.8Å; D179-H182 PolarHBondContact OD1-ND1 3Å; D179-H182 WeakPolarHBondContact OD2-CB 3.32Å; D179-H182 IonicContact OD2-CE1 2.64Å; D179-H182 IonicContact OD2-CG 3.77Å; D179-H182 IonicContact OD2-ND1 3.18Å; D179-H182 PolarHBondContact OD2-ND1 2.87Å; D179-D183 PolarHBondContact O-N 3.07Å; D179-Y209 HydrophobicContact CB-CD2 4.32Å; D179-Y209 PolarHBondContact N-O 3.4Å; D179-Y209 VanDerWaalsContact O-CB 3.24Å; D179-Y209 WeakPolarHBondContact O-CB 3.31Å
180	P	73.6	Confident	72.1	Confident	78 Å²	78	56.3 Å²	56.3	51%	0.506	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-60.8	-31.1	-177	-23.4	35.1	0	0	0	112.9	H182 D183 T210	P180-H182 PolarHBondContact O-N 3.27Å; P180-D183 WeakPolarHBondContact O-CB 3.25Å; P180-D183 PolarHBondContact O-N 3.39Å; P180-T210 HydrophobicContact CB-CG2 4.45Å
181	D	73.2	Confident	70	Confident	143 Å²	143	59.2 Å²	59.2	77%	0.765	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-66.8	-27	-177.3	-65.7	-30.8	0	0	0	112.1	D179	D179-D181 PolarHBondContact O-N 3.12Å
182	H	71.6	Confident	68	Low	110 Å²	110	63.8 Å²	63.8	51%	0.509	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-109.2	15.6	179.1	-58.3	93.7	0	0	0	114.1	D179 P180 H184 K207	D179-H182 PolarHBondContact O-N 3.22Å; D179-H182 IonicContact OD1-CE1 3.17Å; D179-H182 IonicContact OD1-CG 3.45Å; D179-H182 PolarHBondContact OD1-N 3.25Å; D179-H182 IonicContact OD1-ND1 2.8Å; D179-H182 PolarHBondContact OD1-ND1 3Å; D179-H182 WeakPolarHBondContact OD2-CB 3.32Å; D179-H182 IonicContact OD2-CE1 2.64Å; D179-H182 IonicContact OD2-CG 3.77Å; D179-H182 IonicContact OD2-ND1 3.18Å; D179-H182 PolarHBondContact OD2-ND1 2.87Å; P180-H182 PolarHBondContact O-N 3.27Å; H182-H184 PolarHBondContact O-N 3.28Å; H182-K207 VanDerWaalsContact O-CD 3.26Å; H182-K207 WeakPolarHBondContact O-CD 3.49Å; H182-K207 VanDerWaalsContact O-CE 3.31Å; H182-K207 WeakPolarHBondContact O-CE 3.24Å; H182-K207 PolarHBondContact O-NZ 3.02Å; H182-K207 VanDerWaalsContact O-NZ 3.08Å
183	D	65.2	Low	66.3	Low	17 Å²	17	65 Å²	65	9%	0.091	36%	0.356	C	S	.	.			trans	-67.1	-19.3	-177.4	-170.8	54	0	0	0	113.7	D179 P180 S206 K207 G208 Y209 T210	D179-D183 PolarHBondContact O-N 3.07Å; P180-D183 WeakPolarHBondContact O-CB 3.25Å; P180-D183 PolarHBondContact O-N 3.39Å; D183-S206 CarbonylContact O-C 3.54Å; D183-S206 WeakPolarHBondContact O-CA 3.35Å; D183-S206 PolarHBondContact OD1-OG 3.45Å; D183-S206 WeakPolarHBondContact OD2-CB 3.48Å; D183-S206 PolarHBondContact OD2-OG 3.18Å; D183-K207 PolarHBondContact O-N 2.96Å; D183-K207 PolarHBondContact OD1-N 2.92Å; D183-G208 PolarHBondContact OD1-N 3.15Å; D183-Y209 PolarHBondContact OD1-N 2.92Å; D183-T210 HydrophobicContact CB-CG2 4.44Å
184	H	59.3	Low	65.4	Low	115 Å²	115	68.1 Å²	68.1	53%	0.532	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-79	128.7	-175.3	-61.1	-46.2	0	0	0	113.5	H182	H182-H184 PolarHBondContact O-N 3.28Å
185	T	61.4	Low	65.3	Low	42 Å²	42	70.6 Å²	70.6	26%	0.258	38%	0.384	S	S	.	.			trans	-130.8	166	168.3	41.6	0	0	0	0	114.2	N205 K207	T185-N205 PolarHBondContact N-O 2.98Å; T185-K207 HydrophobicContact CG2-CD 3.65Å; T185-K207 HydrophobicContact CG2-CG 3.2Å
186	G	48.9	Very low	65.6	Low	53 Å²	53	74.7 Å²	74.7	55%	0.546	40%	0.399	S	S	.	.			trans	-59.8	158.6	161.5	0	0	0	0	0	112.9
187	F	39.8	Very low	66	Low	51 Å²	51	73.7 Å²	73.7	22%	0.224	40%	0.395	C	S	.	.	S	Bend	trans	-67.3	136.1	-178.5	-174.2	-121.6	0	0	0	110.9	L204 N261 K263 A264	F187-L204 WeakPolarHBondContact CD2-O 3.26Å; F187-N261 PolarHBondContact N-ND2 3.11Å; F187-K263 HydrophobicContact CD1-CB 4.3Å; F187-K263 HydrophobicContact CG-CB 4.47Å; F187-A264 HydrophobicContact CD2-CB 3.82Å; F187-A264 HydrophobicContact CE2-CB 3.94Å
188	L	47.3	Very low	66.3	Low	95 Å²	95	73.3 Å²	73.3	50%	0.497	39%	0.39	S	S	.	.			trans	74.9	57.6	172.1	-56.2	160	0	0	0	117.2	Y237	L188-Y237 HydrophobicContact CD2-CD1 3.61Å; L188-Y237 HydrophobicContact CD2-CE1 3.42Å; L188-Y237 VanDerWaalsContact CD2-CE1 3.42Å; L188-Y237 HydrophobicContact CD2-CG 4.36Å; L188-Y237 HydrophobicContact CG-CE1 4.46Å
189	T	46.2	Very low	67	Low	90 Å²	90	72.9 Å²	72.9	55%	0.552	39%	0.386	S	S	*	.			trans	-80	125.5	165.9	-43.2	0	0	0	0	110.7
190	E	46.6	Very low	67.6	Low	175 Å²	175	70.2 Å²	70.2	82%	0.818	37%	0.372	S	S	*	.			trans	-74.4	130.2	-176.3	-155.3	171.6	-161.7	0	0	111.1
191	Y	53.8	Low	68.3	Low	78 Å²	78	67 Å²	67	31%	0.306	35%	0.35	S	S	.	.			trans	-138.3	123.9	-177.4	-147.4	-81.3	0	0	0	111.2	L174 A193 R195 R198	L174-Y191 HydrophobicContact CD1-CE1 4.07Å; Y191-A193 HydrophobicContact CD1-CB 4.47Å; Y191-A193 PolarHBondContact O-N 3.09Å; Y191-R195 PolarHBondContact O-NH2 3.19Å; Y191-R198 PolarHBondContact O-NH2 2.89Å; Y191-R198 VanDerWaalsContact O-NH2 3.16Å
192	V	49.3	Very low	68.8	Low	138 Å²	138	62 Å²	62	84%	0.836	32%	0.323	S	S	*	.			trans	-92	50.3	-162.1	-165.6	0	0	0	0	113.4
193	A	58	Low	69.2	Low	26 Å²	26	56.8 Å²	56.8	22%	0.215	30%	0.299	C	S	.	.	S	Bend	trans	-143.9	172.3	-179.5	0	0	0	0	0	112.6	Y191 R195 R198	Y191-A193 HydrophobicContact CD1-CB 4.47Å; Y191-A193 PolarHBondContact O-N 3.09Å; A193-R195 WeakPolarHBondContact O-CG 3.46Å; A193-R195 PolarHBondContact O-N 3.08Å; A193-R195 PolarHBondContact O-NH1 2.83Å; A193-R198 PolarHBondContact O-NH2 2.88Å; A193-R198 VanDerWaalsContact O-NH2 3.16Å
194	T	69.5	Low	69.7	Low	65 Å²	65	56.1 Å²	56.1	40%	0.399	30%	0.295	S	S	.	.			trans	-51.1	125.4	174	-54.1	0	0	0	0	110.2	W196 Y197	T194-W196 HydrophobicContact CG2-CB 4.36Å; T194-W196 HydrophobicContact CG2-CD2 4.07Å; T194-W196 HydrophobicContact CG2-CE3 4.29Å; T194-W196 HydrophobicContact CG2-CG 4.1Å; T194-Y197 HydrophobicContact CG2-CD2 4.3Å; T194-Y197 HydrophobicContact CG2-CE2 4.06Å
195	R	85.4	Confident	70.1	Confident	65 Å²	65	51.7 Å²	51.7	25%	0.245	28%	0.276	C	S	.	.			trans	-94.6	-14.6	-170.7	-68.5	175.6	176.3	74.9	-3.5	113.6	Y191 A193 Y197 R198 Q240	Y191-R195 PolarHBondContact O-NH2 3.19Å; A193-R195 WeakPolarHBondContact O-CG 3.46Å; A193-R195 PolarHBondContact O-N 3.08Å; A193-R195 PolarHBondContact O-NH1 2.83Å; R195-Y197 PolarHBondContact O-N 2.92Å; R195-Y197 VanDerWaalsContact O-N 3.11Å; R195-R198 WeakPolarHBondContact O-CB 3.31Å; R195-R198 PolarHBondContact O-N 3.38Å; R195-Q240 HydrophobicContact CB-CG 4.39Å; R195-Q240 PolarHBondContact O-NE2 2.87Å; R195-Q240 PolarHBondContact O-OE1 3.14Å
196	W	95.5	Very high	70.4	Confident	86 Å²	86	50.1 Å²	50.1	33%	0.326	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.9	-165.8	-55.5	-16.7	0	0	0	114.4	T194 P230 F232 G234 Q240	T194-W196 HydrophobicContact CG2-CB 4.36Å; T194-W196 HydrophobicContact CG2-CD2 4.07Å; T194-W196 HydrophobicContact CG2-CE3 4.29Å; T194-W196 HydrophobicContact CG2-CG 4.1Å; W196-P230 HydrophobicContact CD2-CB 4.26Å; W196-P230 HydrophobicContact CE3-CB 3.66Å; W196-P230 HydrophobicContact CE3-CG 3.89Å; W196-P230 HydrophobicContact CH2-CG 4.44Å; W196-P230 HydrophobicContact CZ3-CB 4.11Å; W196-P230 HydrophobicContact CZ3-CG 3.83Å; W196-F232 WeakPolarHBondContact CA-O 3.38Å; W196-F232 WeakPolarHBondContact CB-O 3.44Å; W196-G234 PolarHBondContact NE1-O 3.05Å; W196-Q240 PolarHBondContact O-NE2 2.86Å
197	Y	96.1	Very high	71.3	Confident	16 Å²	16	51 Å²	51	6%	0.063	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.5	-178.8	-48.9	-83.5	0	0	0	112.7	L154 K155 P156 T194 R195 W216 S217 C220 I221 E224	L154-Y197 WeakPolarHBondContact O-CB 3.42Å; K155-Y197 HydrophobicContact CB-CD1 4.38Å; K155-Y197 HydrophobicContact CB-CD2 3.51Å; K155-Y197 HydrophobicContact CB-CE1 4.34Å; K155-Y197 HydrophobicContact CB-CE2 3.46Å; K155-Y197 VanDerWaalsContact CB-CE2 3.46Å; K155-Y197 HydrophobicContact CB-CG 4Å; P156-Y197 VanDerWaalsContact CD-CE1 3.45Å; P156-Y197 WeakPolarHBondContact CD-OH 3.4Å; P156-Y197 HydrophobicContact CG-CE1 4.16Å; T194-Y197 HydrophobicContact CG2-CD2 4.3Å; T194-Y197 HydrophobicContact CG2-CE2 4.06Å; R195-Y197 PolarHBondContact O-N 2.92Å; R195-Y197 VanDerWaalsContact O-N 3.11Å; Y197-W216 VanDerWaalsContact O-CD1 3.31Å; Y197-S217 PolarHBondContact O-OG 3.4Å; Y197-C220 HydrophobicContact CD1-CB 3.65Å; Y197-C220 HydrophobicContact CE1-CB 4.33Å; Y197-I221 HydrophobicContact CD1-CG1 4.06Å; Y197-I221 HydrophobicContact CE1-CG1 4.08Å; Y197-E224 PolarHBondContact OH-OE2 2.8Å
198	R	92.1	Very high	72.5	Confident	30 Å²	30	48.6 Å²	48.6	11%	0.113	24%	0.244	C	C	.	.			trans	-82.1	137	-178.2	-64.3	-176.7	-174	171.1	4.6	111.8	Y191 A193 R195 M203 W216	Y191-R198 PolarHBondContact O-NH2 2.89Å; Y191-R198 VanDerWaalsContact O-NH2 3.16Å; A193-R198 PolarHBondContact O-NH2 2.88Å; A193-R198 VanDerWaalsContact O-NH2 3.16Å; R195-R198 WeakPolarHBondContact O-CB 3.31Å; R195-R198 PolarHBondContact O-N 3.38Å; R198-M203 HydrophobicContact CB-SD 4.14Å; R198-W216 VanDerWaalsContact C-CD1 3.48Å; R198-W216 PolarHBondContact O-NE1 2.94Å
199	A	93.3	Very high	74	Confident	1 Å²	1	46 Å²	46	1%	0.008	23%	0.228	C	C	.	.			trans	-70.1	151.1	178.4	0	0	0	0	0	112.5	E201 I202 M203 I213 W216	A199-E201 VanDerWaalsContact C-N 3.25Å; A199-E201 HydrophobicContact CB-CG 4.35Å; A199-E201 WeakPolarHBondContact CB-OE1 3.45Å; A199-E201 VanDerWaalsContact CB-OE2 3.26Å; A199-E201 WeakPolarHBondContact CB-OE2 3.4Å; A199-E201 PolarHBondContact O-N 3.39Å; A199-I202 HydrophobicContact CB-CG1 4.3Å; A199-I202 WeakPolarHBondContact O-CB 3.25Å; A199-I202 PolarHBondContact O-N 3.32Å; A199-I202 VanDerWaalsContact O-N 3.11Å; A199-M203 VanDerWaalsContact O-CE 3.31Å; A199-M203 WeakPolarHBondContact O-CE 3.39Å; A199-I213 HydrophobicContact CB-CG2 4.49Å; A199-W216 VanDerWaalsContact CA-CG 3.49Å; A199-W216 HydrophobicContact CB-CB 3.67Å; A199-W216 HydrophobicContact CB-CD2 3.98Å; A199-W216 HydrophobicContact CB-CG 3.5Å; A199-W216 VanDerWaalsContact CB-CG 3.5Å
200	P	92.6	Very high	76.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-57	-36.2	-177.1	21.5	-32.2	0	0	0	113.4	I202 M203 L204 W216 L241 I244 F300	P200-I202 VanDerWaalsContact C-N 3.29Å; P200-I202 PolarHBondContact O-N 3.21Å; P200-M203 WeakPolarHBondContact O-CA 3.32Å; P200-M203 WeakPolarHBondContact O-CB 3.13Å; P200-M203 PolarHBondContact O-N 3.08Å; P200-L204 WeakPolarHBondContact O-CD1 3.39Å; P200-L204 WeakPolarHBondContact O-CG 3.45Å; P200-L204 PolarHBondContact O-N 3.47Å; P200-W216 HydrophobicContact CG-CE3 4.33Å; P200-W216 HydrophobicContact CG-CH2 4.01Å; P200-W216 HydrophobicContact CG-CZ3 3.91Å; P200-L241 HydrophobicContact CB-CD1 4.27Å; P200-I244 HydrophobicContact CB-CD1 4.42Å; P200-I244 HydrophobicContact CB-CG2 4.42Å; P200-F300 HydrophobicContact CB-CD2 3.81Å; P200-F300 HydrophobicContact CB-CE2 3.62Å; P200-F300 HydrophobicContact CB-CZ 4.4Å; P200-F300 HydrophobicContact CG-CD2 3.84Å; P200-F300 HydrophobicContact CG-CE2 4.15Å; P200-F300 HydrophobicContact CG-CG 4.39Å
201	E	88.6	Confident	78.3	Confident	11 Å²	11	38.7 Å²	38.7	5%	0.051	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.4	-30.4	179.3	64	-86.4	-159.9	0	0	113.4	A199 M203 L204 N205 S206 P302 R305	A199-E201 VanDerWaalsContact C-N 3.25Å; A199-E201 HydrophobicContact CB-CG 4.35Å; A199-E201 WeakPolarHBondContact CB-OE1 3.45Å; A199-E201 VanDerWaalsContact CB-OE2 3.26Å; A199-E201 WeakPolarHBondContact CB-OE2 3.4Å; A199-E201 PolarHBondContact O-N 3.39Å; E201-M203 PolarHBondContact O-N 2.89Å; E201-L204 PolarHBondContact O-N 3.13Å; E201-N205 PolarHBondContact O-N 3.02Å; E201-S206 WeakPolarHBondContact O-CB 3.41Å; E201-S206 PolarHBondContact O-N 3.37Å; E201-P302 HydrophobicContact CB-CG 4.3Å; E201-P302 HydrophobicContact CG-CB 4.43Å; E201-P302 HydrophobicContact CG-CG 4.21Å; E201-R305 IonicContact OE1-CZ 3.41Å; E201-R305 IonicContact OE1-NH1 3.72Å; E201-R305 PolarHBondContact OE1-NH1 3.33Å; E201-R305 IonicContact OE1-NH2 2.83Å; E201-R305 PolarHBondContact OE1-NH2 3.45Å; E201-R305 IonicContact OE2-CZ 2.85Å; E201-R305 IonicContact OE2-NH1 3.75Å; E201-R305 IonicContact OE2-NH2 3.14Å; E201-R305 PolarHBondContact OE2-NH2 3.13Å
202	I	84.1	Confident	80.4	Confident	37 Å²	37	35.7 Å²	35.7	19%	0.19	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.1	-29.8	172.7	-57.9	-61.5	0	0	0	110.1	A199 P200 I213 Y237	A199-I202 HydrophobicContact CB-CG1 4.3Å; A199-I202 WeakPolarHBondContact O-CB 3.25Å; A199-I202 PolarHBondContact O-N 3.32Å; A199-I202 VanDerWaalsContact O-N 3.11Å; P200-I202 VanDerWaalsContact C-N 3.29Å; P200-I202 PolarHBondContact O-N 3.21Å; I202-I213 HydrophobicContact CD1-CG2 4.07Å; I202-Y237 PolarHBondContact O-OH 3.11Å
203	M	79.7	Confident	82.5	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-83.4	-10.4	177	-71.2	76.6	74	0	0	114	R198 A199 P200 E201 Y237 Q240 L241 I244	R198-M203 HydrophobicContact CB-SD 4.14Å; A199-M203 VanDerWaalsContact O-CE 3.31Å; A199-M203 WeakPolarHBondContact O-CE 3.39Å; P200-M203 WeakPolarHBondContact O-CA 3.32Å; P200-M203 WeakPolarHBondContact O-CB 3.13Å; P200-M203 PolarHBondContact O-N 3.08Å; E201-M203 PolarHBondContact O-N 2.89Å; M203-Y237 VanDerWaalsContact C-CZ 3.48Å; M203-Y237 WeakPolarHBondContact CA-OH 3.37Å; M203-Y237 HydrophobicContact CB-CD1 4.21Å; M203-Y237 HydrophobicContact CB-CE1 3.65Å; M203-Y237 HydrophobicContact CB-CE2 4.26Å; M203-Y237 HydrophobicContact CG-CD1 4.03Å; M203-Y237 HydrophobicContact CG-CD2 4.04Å; M203-Y237 HydrophobicContact CG-CE1 3.91Å; M203-Y237 HydrophobicContact CG-CE2 3.94Å; M203-Y237 HydrophobicContact CG-CG 4.14Å; M203-Y237 WeakPolarHBondContact O-CE1 3.17Å; M203-Y237 PolarHBondContact O-OH 3.47Å; M203-Q240 HydrophobicContact CE-CB 4.38Å; M203-Q240 HydrophobicContact CE-CG 3.79Å; M203-Q240 HydrophobicContact SD-CG 4.21Å; M203-L241 HydrophobicContact CB-CB 4.31Å; M203-L241 HydrophobicContact CB-CD2 4.45Å; M203-L241 HydrophobicContact CE-CB 4.44Å; M203-L241 HydrophobicContact CG-CB 4.48Å; M203-I244 HydrophobicContact CE-CD1 3.41Å; M203-I244 VanDerWaalsContact CE-CD1 3.41Å
204	L	75.4	Confident	84.4	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-48	-168.7	-64.4	166.5	0	0	0	112.2	F187 P200 E201 L241 I259 A264 L268 F300	F187-L204 WeakPolarHBondContact CD2-O 3.26Å; P200-L204 WeakPolarHBondContact O-CD1 3.39Å; P200-L204 WeakPolarHBondContact O-CG 3.45Å; P200-L204 PolarHBondContact O-N 3.47Å; E201-L204 PolarHBondContact O-N 3.13Å; L204-L241 HydrophobicContact CD2-CD2 3.77Å; L204-L241 HydrophobicContact CG-CD2 4.44Å; L204-I259 HydrophobicContact CD1-CD1 4Å; L204-A264 HydrophobicContact CB-CB 4Å; L204-A264 HydrophobicContact CD2-CB 3.85Å; L204-A264 WeakPolarHBondContact O-CB 3.49Å; L204-L268 HydrophobicContact CD1-CD1 3.99Å; L204-L268 HydrophobicContact CD2-CD1 3.91Å; L204-L268 HydrophobicContact CD2-CD2 4.3Å; L204-L268 HydrophobicContact CD2-CG 4.07Å; L204-F300 HydrophobicContact CD1-CE2 4.38Å; L204-F300 HydrophobicContact CD1-CZ 3.75Å
205	N	68.5	Low	85.8	Confident	22 Å²	22	25.3 Å²	25.3	12%	0.118	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-172.4	8.8	-170	61.1	-25.7	0	0	0	115.8	T185 E201 N261	T185-N205 PolarHBondContact N-O 2.98Å; E201-N205 PolarHBondContact O-N 3.02Å; N205-N261 HydrophobicContact CB-CB 3.78Å
206	S	67.8	Low	86.4	Confident	8 Å²	8	22.2 Å²	22.2	6%	0.056	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-108.8	137.7	-176.4	178.3	0	0	0	0	111.9	D183 E201 G208	D183-S206 CarbonylContact O-C 3.54Å; D183-S206 WeakPolarHBondContact O-CA 3.35Å; D183-S206 PolarHBondContact OD1-OG 3.45Å; D183-S206 WeakPolarHBondContact OD2-CB 3.48Å; D183-S206 PolarHBondContact OD2-OG 3.18Å; E201-S206 WeakPolarHBondContact O-CB 3.41Å; E201-S206 PolarHBondContact O-N 3.37Å; S206-G208 PolarHBondContact OG-N 2.83Å
207	K	67.6	Low	86.6	Confident	72 Å²	72	18.5 Å²	18.5	31%	0.313	9%	0.088	S	C	.	.			trans	-73.3	-15.2	165.5	-67.4	-172.4	-168.4	163.7	0	112	R152 H182 D183 T185 Y209	R152-K207 PolarHBondContact NH2-O 2.98Å; H182-K207 VanDerWaalsContact O-CD 3.26Å; H182-K207 WeakPolarHBondContact O-CD 3.49Å; H182-K207 VanDerWaalsContact O-CE 3.31Å; H182-K207 WeakPolarHBondContact O-CE 3.24Å; H182-K207 PolarHBondContact O-NZ 3.02Å; H182-K207 VanDerWaalsContact O-NZ 3.08Å; D183-K207 PolarHBondContact O-N 2.96Å; D183-K207 PolarHBondContact OD1-N 2.92Å; T185-K207 HydrophobicContact CG2-CD 3.65Å; T185-K207 HydrophobicContact CG2-CG 3.2Å; K207-Y209 HydrophobicContact CB-CD1 3.91Å; K207-Y209 HydrophobicContact CB-CD2 3.79Å; K207-Y209 HydrophobicContact CB-CE1 3.84Å; K207-Y209 HydrophobicContact CB-CE2 3.77Å; K207-Y209 HydrophobicContact CB-CG 3.86Å; K207-Y209 HydrophobicContact CD-CD2 3.81Å; K207-Y209 HydrophobicContact CD-CE2 3.22Å; K207-Y209 HydrophobicContact CG-CD2 4.42Å; K207-Y209 HydrophobicContact CG-CE2 4.13Å
208	G	66.1	Low	86.7	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	72.5	52.5	-173.5	0	0	0	0	0	111.4	R152 D183 S206 I213	R152-G208 PolarHBondContact NE-O 3.27Å; D183-G208 PolarHBondContact OD1-N 3.15Å; S206-G208 PolarHBondContact OG-N 2.83Å; G208-I213 WeakPolarHBondContact O-CD1 3.49Å
209	Y	78.6	Confident	87	Confident	40 Å²	40	16.3 Å²	16.3	16%	0.157	8%	0.08	C	C	.	.			trans	-106.6	14.9	177.2	-64.6	-14	0	0	0	112.6	L150 D179 D183 K207	L150-Y209 VanDerWaalsContact CD1-CA 3.48Å; D179-Y209 HydrophobicContact CB-CD2 4.32Å; D179-Y209 PolarHBondContact N-O 3.4Å; D179-Y209 VanDerWaalsContact O-CB 3.24Å; D179-Y209 WeakPolarHBondContact O-CB 3.31Å; D183-Y209 PolarHBondContact OD1-N 2.92Å; K207-Y209 HydrophobicContact CB-CD1 3.91Å; K207-Y209 HydrophobicContact CB-CD2 3.79Å; K207-Y209 HydrophobicContact CB-CE1 3.84Å; K207-Y209 HydrophobicContact CB-CE2 3.77Å; K207-Y209 HydrophobicContact CB-CG 3.86Å; K207-Y209 HydrophobicContact CD-CD2 3.81Å; K207-Y209 HydrophobicContact CD-CE2 3.22Å; K207-Y209 HydrophobicContact CG-CD2 4.42Å; K207-Y209 HydrophobicContact CG-CE2 4.13Å
210	T	89.1	Confident	87.3	Confident	34 Å²	34	16.3 Å²	16.3	21%	0.209	8%	0.08	C	C	.	.	S	Bend	trans	-112.1	154.7	171.6	64.4	0	0	0	0	111.4	P180 D183 S212 I213	P180-T210 HydrophobicContact CB-CG2 4.45Å; D183-T210 HydrophobicContact CB-CG2 4.44Å; T210-S212 PolarHBondContact O-N 2.94Å; T210-S212 PolarHBondContact OG1-OG 3.26Å; T210-I213 WeakPolarHBondContact O-CG1 3.41Å
211	K	94.3	Very high	87.6	Confident	79 Å²	79	16.3 Å²	16.3	34%	0.343	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26	178.2	-70.1	175.9	178.1	-176.5	0	113.7	H145 L150 I213 D214	H145-K211 HydrophobicContact CB-CD 3.94Å; H145-K211 HydrophobicContact CB-CG 4.37Å; H145-K211 PolarHBondContact CE1-O 2.91Å; H145-K211 VanDerWaalsContact CE1-O 3.31Å; H145-K211 WeakPolarHBondContact O-CE 3.47Å; H145-K211 PolarHBondContact O-NZ 2.96Å; L150-K211 HydrophobicContact CD2-CB 4.24Å; L150-K211 HydrophobicContact CD2-CG 3.77Å; K211-I213 PolarHBondContact O-N 2.94Å; K211-I213 VanDerWaalsContact O-N 3.14Å; K211-D214 PolarHBondContact O-N 3.4Å
212	S	96	Very high	88.1	Confident	14 Å²	14	15.8 Å²	15.8	10%	0.098	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-25	-176.1	61.9	0	0	0	0	113.9	T210 D214 I215 W216 P302 R305	T210-S212 PolarHBondContact O-N 2.94Å; T210-S212 PolarHBondContact OG1-OG 3.26Å; S212-D214 VanDerWaalsContact C-N 3.33Å; S212-I215 PolarHBondContact O-N 2.94Å; S212-W216 PolarHBondContact O-N 3.07Å; S212-P302 WeakPolarHBondContact OG-CB 3.42Å; S212-R305 VanDerWaalsContact C-NH1 3.32Å; S212-R305 VanDerWaalsContact O-CD 3.32Å; S212-R305 WeakPolarHBondContact O-CD 3.39Å; S212-R305 PolarHBondContact O-NH1 2.9Å
213	I	94.8	Very high	88.8	Confident	9 Å²	9	14 Å²	14	5%	0.046	7%	0.069	C	C	.	.	H	α-helix	trans	-69.8	-32.8	-179	71	176.5	0	0	0	112.4	R152 A199 I202 G208 T210 K211 S217	R152-I213 HydrophobicContact CB-CD1 4.28Å; R152-I213 HydrophobicContact CG-CD1 3.79Å; A199-I213 HydrophobicContact CB-CG2 4.49Å; I202-I213 HydrophobicContact CD1-CG2 4.07Å; G208-I213 WeakPolarHBondContact O-CD1 3.49Å; T210-I213 WeakPolarHBondContact O-CG1 3.41Å; K211-I213 PolarHBondContact O-N 2.94Å; K211-I213 VanDerWaalsContact O-N 3.14Å; I213-S217 PolarHBondContact O-N 2.95Å; I213-S217 VanDerWaalsContact O-N 3.16Å; I213-S217 PolarHBondContact O-OG 3.34Å
214	D	97.9	Very high	89.7	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-72.6	-40.2	177.4	-72.5	-28.6	0	0	0	109	L141 H145 L150 H151 R152 L154 K211 S212 W216 S217 V218	L141-D214 HydrophobicContact CD1-CB 3.92Å; L141-D214 HydrophobicContact CD2-CB 4Å; H145-D214 IonicContact CD2-OD2 2.84Å; H145-D214 IonicContact CE1-OD2 3.49Å; H145-D214 IonicContact NE2-OD2 3.59Å; H145-D214 PolarHBondContact NE2-OD2 3.03Å; L150-D214 WeakPolarHBondContact CA-OD2 3.32Å; H151-D214 PolarHBondContact N-OD1 2.78Å; H151-D214 PolarHBondContact N-OD2 3.41Å; R152-D214 PolarHBondContact N-OD1 3.45Å; L154-D214 HydrophobicContact CD1-CB 3.91Å; K211-D214 PolarHBondContact O-N 3.4Å; S212-D214 VanDerWaalsContact C-N 3.33Å; D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 3.06Å; D214-S217 WeakPolarHBondContact O-CA 3.45Å; D214-S217 VanDerWaalsContact O-CB 3.31Å; D214-S217 WeakPolarHBondContact O-CB 3.44Å; D214-S217 PolarHBondContact O-N 3.39Å; D214-V218 WeakPolarHBondContact O-CG2 3.4Å; D214-V218 PolarHBondContact O-N 2.9Å
215	I	98.8	Very high	90.8	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-58.9	-42.9	174.2	-60.3	-63.3	0	0	0	111.8	L138 L141 S212 S217 V218 G219 M297 R305 I306 V308	L138-I215 HydrophobicContact CD2-CD1 4.49Å; L141-I215 HydrophobicContact CD2-CD1 3.99Å; S212-I215 PolarHBondContact O-N 2.94Å; I215-S217 VanDerWaalsContact C-N 3.29Å; I215-S217 PolarHBondContact O-N 3.08Å; I215-V218 PolarHBondContact O-N 3.39Å; I215-G219 PolarHBondContact O-N 3.23Å; I215-M297 HydrophobicContact CG2-CB 4.09Å; I215-M297 HydrophobicContact CG2-CG 3.92Å; I215-R305 HydrophobicContact CB-CG 4.43Å; I215-R305 HydrophobicContact CG2-CG 3.88Å; I215-I306 HydrophobicContact CG2-CG2 3.97Å; I215-I306 WeakPolarHBondContact CG2-O 3.45Å; I215-V308 HydrophobicContact CD1-CB 3.96Å
216	W	98.6	Very high	92.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59	-44.4	174.5	177.4	-82.6	0	0	0	111.5	Y197 R198 A199 P200 S212 D214 V218 G219 C220 F232 I244 L248 L298	Y197-W216 VanDerWaalsContact O-CD1 3.31Å; R198-W216 VanDerWaalsContact C-CD1 3.48Å; R198-W216 PolarHBondContact O-NE1 2.94Å; A199-W216 VanDerWaalsContact CA-CG 3.49Å; A199-W216 HydrophobicContact CB-CB 3.67Å; A199-W216 HydrophobicContact CB-CD2 3.98Å; A199-W216 HydrophobicContact CB-CG 3.5Å; A199-W216 VanDerWaalsContact CB-CG 3.5Å; P200-W216 HydrophobicContact CG-CE3 4.33Å; P200-W216 HydrophobicContact CG-CH2 4.01Å; P200-W216 HydrophobicContact CG-CZ3 3.91Å; S212-W216 PolarHBondContact O-N 3.07Å; D214-W216 VanDerWaalsContact C-N 3.32Å; D214-W216 PolarHBondContact O-N 3.06Å; W216-V218 VanDerWaalsContact C-N 3.3Å; W216-V218 PolarHBondContact O-N 3.44Å; W216-G219 PolarHBondContact O-N 2.82Å; W216-G219 VanDerWaalsContact O-N 3.14Å; W216-C220 PolarHBondContact NE1-SG 3.37Å; W216-C220 VanDerWaalsContact NE1-SG 3.44Å; W216-C220 PolarHBondContact O-N 2.84Å; W216-F232 HydrophobicContact CH2-CE2 4.17Å; W216-F232 HydrophobicContact CH2-CZ 4.46Å; W216-F232 HydrophobicContact CZ2-CD2 4.02Å; W216-F232 AromaticContact CZ2-CE2 3.51Å; W216-F232 HydrophobicContact CZ2-CE2 3.51Å; W216-F232 HydrophobicContact CZ2-CZ 4.19Å; W216-I244 HydrophobicContact CH2-CD1 4.38Å; W216-I244 HydrophobicContact CH2-CG1 4.4Å; W216-I244 HydrophobicContact CH2-CG2 3.62Å; W216-I244 HydrophobicContact CZ2-CD1 3.67Å; W216-I244 HydrophobicContact CZ2-CG1 3.83Å; W216-I244 HydrophobicContact CZ2-CG2 3.94Å; W216-L248 HydrophobicContact CH2-CD1 3.73Å; W216-L248 HydrophobicContact CZ3-CD1 4.02Å; W216-L298 HydrophobicContact CD2-CD2 3.88Å; W216-L298 HydrophobicContact CE3-CD2 3.96Å; W216-L298 HydrophobicContact CG-CD2 4.42Å; W216-L298 HydrophobicContact CH2-CD2 4.24Å; W216-L298 HydrophobicContact CZ2-CD2 4.15Å; W216-L298 HydrophobicContact CZ3-CB 4.27Å; W216-L298 HydrophobicContact CZ3-CD2 4.16Å
217	S	98.6	Very high	93.7	Very high	8 Å²	8	16.4 Å²	16.4	6%	0.056	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-41.3	178.4	-55	0	0	0	0	111	Y197 I213 D214 I215 C220 I221	Y197-S217 PolarHBondContact O-OG 3.4Å; I213-S217 PolarHBondContact O-N 2.95Å; I213-S217 VanDerWaalsContact O-N 3.16Å; I213-S217 PolarHBondContact O-OG 3.34Å; D214-S217 WeakPolarHBondContact O-CA 3.45Å; D214-S217 VanDerWaalsContact O-CB 3.31Å; D214-S217 WeakPolarHBondContact O-CB 3.44Å; D214-S217 PolarHBondContact O-N 3.39Å; I215-S217 VanDerWaalsContact C-N 3.29Å; I215-S217 PolarHBondContact O-N 3.08Å; S217-C220 WeakPolarHBondContact O-CB 3.35Å; S217-C220 PolarHBondContact O-N 3.37Å; S217-I221 WeakPolarHBondContact O-CD1 3.39Å; S217-I221 VanDerWaalsContact O-CG1 3.26Å; S217-I221 WeakPolarHBondContact O-CG1 3.23Å; S217-I221 PolarHBondContact O-N 3.05Å
218	V	98.9	Very high	95.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.8	-41.3	173.4	177.4	0	0	0	0	111.7	L134 I137 L138 L141 L154 D214 I215 W216 C220 I221 L222 M297	L134-V218 HydrophobicContact CD1-CG1 3.56Å; I137-V218 HydrophobicContact CG2-CG1 4.13Å; I137-V218 HydrophobicContact CG2-CG2 3.71Å; L138-V218 HydrophobicContact CD2-CG1 4.08Å; L138-V218 HydrophobicContact CG-CG1 4.45Å; L141-V218 HydrophobicContact CD2-CG2 3.89Å; L154-V218 HydrophobicContact CD1-CG2 3.89Å; D214-V218 WeakPolarHBondContact O-CG2 3.4Å; D214-V218 PolarHBondContact O-N 2.9Å; I215-V218 PolarHBondContact O-N 3.39Å; W216-V218 VanDerWaalsContact C-N 3.3Å; W216-V218 PolarHBondContact O-N 3.44Å; V218-C220 VanDerWaalsContact C-N 3.34Å; V218-C220 PolarHBondContact O-N 3.21Å; V218-I221 WeakPolarHBondContact O-CB 3.03Å; V218-I221 PolarHBondContact O-N 3.14Å; V218-I221 VanDerWaalsContact O-N 3.14Å; V218-L222 PolarHBondContact O-N 2.8Å; V218-M297 HydrophobicContact CG1-CE 4.07Å; V218-M297 HydrophobicContact CG1-SD 4Å
219	G	98.9	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-42.2	173.2	0	0	0	0	0	112.7	I215 W216 I221 L222 A223 L294	I215-G219 PolarHBondContact O-N 3.23Å; W216-G219 PolarHBondContact O-N 2.82Å; W216-G219 VanDerWaalsContact O-N 3.14Å; G219-I221 VanDerWaalsContact C-N 3.33Å; G219-I221 PolarHBondContact O-N 3.27Å; G219-L222 PolarHBondContact O-N 3.08Å; G219-A223 PolarHBondContact O-N 2.73Å; G219-L294 WeakPolarHBondContact O-CD1 3.31Å
220	C	98.9	Very high	97.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-40.7	173.3	-71.7	0	0	0	0	112.1	Y197 W216 S217 V218 A223 E224 I231	Y197-C220 HydrophobicContact CD1-CB 3.65Å; Y197-C220 HydrophobicContact CE1-CB 4.33Å; W216-C220 PolarHBondContact NE1-SG 3.37Å; W216-C220 VanDerWaalsContact NE1-SG 3.44Å; W216-C220 PolarHBondContact O-N 2.84Å; S217-C220 WeakPolarHBondContact O-CB 3.35Å; S217-C220 PolarHBondContact O-N 3.37Å; V218-C220 VanDerWaalsContact C-N 3.34Å; V218-C220 PolarHBondContact O-N 3.21Å; C220-A223 PolarHBondContact O-N 3.17Å; C220-E224 PolarHBondContact O-N 3.41Å; C220-I231 HydrophobicContact CB-CG2 4.23Å
221	I	98.9	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-42.8	177.2	-66.7	162.4	0	0	0	110.7	L116 I137 L154 P156 L159 Y197 S217 V218 G219 A223 E224 M225	L116-I221 HydrophobicContact CD2-CG2 3.74Å; I137-I221 HydrophobicContact CD1-CG2 4.16Å; L154-I221 HydrophobicContact CB-CD1 4.19Å; P156-I221 HydrophobicContact CG-CG1 4.28Å; L159-I221 HydrophobicContact CD1-CD1 4.01Å; L159-I221 HydrophobicContact CD1-CG2 3.98Å; Y197-I221 HydrophobicContact CD1-CG1 4.06Å; Y197-I221 HydrophobicContact CE1-CG1 4.08Å; S217-I221 WeakPolarHBondContact O-CD1 3.39Å; S217-I221 VanDerWaalsContact O-CG1 3.26Å; S217-I221 WeakPolarHBondContact O-CG1 3.23Å; S217-I221 PolarHBondContact O-N 3.05Å; V218-I221 WeakPolarHBondContact O-CB 3.03Å; V218-I221 PolarHBondContact O-N 3.14Å; V218-I221 VanDerWaalsContact O-N 3.14Å; G219-I221 VanDerWaalsContact C-N 3.33Å; G219-I221 PolarHBondContact O-N 3.27Å; I221-A223 PolarHBondContact O-N 3.01Å; I221-E224 PolarHBondContact O-N 2.95Å; I221-E224 VanDerWaalsContact O-N 3.15Å; I221-M225 HydrophobicContact CG2-CE 4.32Å; I221-M225 HydrophobicContact CG2-CG 4.45Å; I221-M225 WeakPolarHBondContact O-CG 3.31Å; I221-M225 PolarHBondContact O-N 2.68Å
222	L	98.9	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.5	-48.1	175.1	176.1	56.2	0	0	0	111.3	I130 L134 V218 G219 E224 M225 L226 L294 M297	I130-L222 HydrophobicContact CG2-CD1 3.64Å; L134-L222 HydrophobicContact CD1-CB 4.37Å; L134-L222 HydrophobicContact CD2-CD1 4.02Å; L134-L222 HydrophobicContact CD2-CD2 3.88Å; L134-L222 HydrophobicContact CD2-CG 4.47Å; V218-L222 PolarHBondContact O-N 2.8Å; G219-L222 PolarHBondContact O-N 3.08Å; L222-E224 VanDerWaalsContact C-N 3.27Å; L222-E224 PolarHBondContact O-N 2.88Å; L222-M225 HydrophobicContact CD1-CE 4.19Å; L222-M225 PolarHBondContact O-N 2.92Å; L222-L226 HydrophobicContact CD1-CD1 4.41Å; L222-L226 HydrophobicContact CD1-CG 4.32Å; L222-L226 HydrophobicContact CG-CD1 4.33Å; L222-L226 VanDerWaalsContact O-CG 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.26Å; L222-L226 PolarHBondContact O-N 3.26Å; L222-L294 HydrophobicContact CB-CD1 4.19Å; L222-L294 HydrophobicContact CD2-CB 3.97Å; L222-L294 HydrophobicContact CD2-CD1 4.1Å; L222-L294 HydrophobicContact CG-CD1 4.16Å; L222-M297 HydrophobicContact CD2-SD 4.37Å
223	A	98.9	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-36.8	175.4	0	0	0	0	0	113.2	G219 C220 I221 L226 S227 I231 F283 L294	G219-A223 PolarHBondContact O-N 2.73Å; C220-A223 PolarHBondContact O-N 3.17Å; I221-A223 PolarHBondContact O-N 3.01Å; A223-L226 PolarHBondContact O-N 3.08Å; A223-S227 PolarHBondContact O-N 3.39Å; A223-S227 PolarHBondContact O-OG 2.83Å; A223-I231 HydrophobicContact CB-CB 3.81Å; A223-I231 HydrophobicContact CB-CD1 3.71Å; A223-I231 HydrophobicContact CB-CG1 4.31Å; A223-I231 HydrophobicContact CB-CG2 3.86Å; A223-F283 HydrophobicContact CB-CE1 4.49Å; A223-F283 HydrophobicContact CB-CE2 4.43Å; A223-F283 HydrophobicContact CB-CZ 3.79Å; A223-L294 HydrophobicContact CB-CD1 4.06Å; A223-L294 HydrophobicContact CB-CD2 4.3Å
224	E	98.8	Very high	98.1	Very high	9 Å²	9	20.6 Å²	20.6	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-71	-37.1	176.5	-164.2	166.3	150.1	0	0	111.8	L120 Y197 C220 I221 L222 L226 S227 N228 P230	L120-E224 HydrophobicContact CD1-CB 4.47Å; L120-E224 HydrophobicContact CD1-CG 3.98Å; Y197-E224 PolarHBondContact OH-OE2 2.8Å; C220-E224 PolarHBondContact O-N 3.41Å; I221-E224 PolarHBondContact O-N 2.95Å; I221-E224 VanDerWaalsContact O-N 3.15Å; L222-E224 VanDerWaalsContact C-N 3.27Å; L222-E224 PolarHBondContact O-N 2.88Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.2Å; E224-S227 PolarHBondContact O-N 2.95Å; E224-N228 WeakPolarHBondContact O-CA 3.46Å; E224-N228 PolarHBondContact O-N 3.39Å; E224-P230 WeakPolarHBondContact OE2-CA 3.43Å
225	M	98.8	Very high	97.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-36.5	172	-71.3	-166.7	-66.4	0	0	112.4	L116 L120 L125 I130 F133 L134 I137 I221 L222 S227	L116-M225 HydrophobicContact CD1-CG 4.4Å; L116-M225 HydrophobicContact CD1-SD 4.29Å; L116-M225 HydrophobicContact CD2-CG 4.06Å; L116-M225 HydrophobicContact CD2-SD 3.98Å; L120-M225 HydrophobicContact CD1-CG 4.34Å; L120-M225 HydrophobicContact CD2-CG 4.36Å; L125-M225 HydrophobicContact CD1-CB 4.13Å; L125-M225 HydrophobicContact CD1-CG 4.01Å; L125-M225 HydrophobicContact CD1-SD 4.23Å; I130-M225 HydrophobicContact CD1-CB 4.4Å; I130-M225 WeakPolarHBondContact CD1-O 3.26Å; I130-M225 HydrophobicContact CG1-CB 4.13Å; I130-M225 HydrophobicContact CG2-CB 4.12Å; I130-M225 HydrophobicContact CG2-CE 4.1Å; F133-M225 HydrophobicContact CB-SD 3.89Å; F133-M225 HydrophobicContact CD2-SD 4.26Å; L134-M225 HydrophobicContact CB-CE 4.25Å; I137-M225 HydrophobicContact CD1-CE 4.48Å; I221-M225 HydrophobicContact CG2-CE 4.32Å; I221-M225 HydrophobicContact CG2-CG 4.45Å; I221-M225 WeakPolarHBondContact O-CG 3.31Å; I221-M225 PolarHBondContact O-N 2.68Å; L222-M225 HydrophobicContact CD1-CE 4.19Å; L222-M225 PolarHBondContact O-N 2.92Å; M225-S227 VanDerWaalsContact C-N 3.31Å; M225-S227 PolarHBondContact O-N 2.85Å
226	L	98.7	Very high	97	Very high	34 Å²	34	34.2 Å²	34.2	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-71.3	-19.9	178.3	-69.8	172.4	0	0	0	114.1	I130 L222 A223 E224 F283 A286 L291 L294	I130-L226 HydrophobicContact CD1-CD2 3.92Å; I130-L226 HydrophobicContact CG2-CD2 4.4Å; L222-L226 HydrophobicContact CD1-CD1 4.41Å; L222-L226 HydrophobicContact CD1-CG 4.32Å; L222-L226 HydrophobicContact CG-CD1 4.33Å; L222-L226 VanDerWaalsContact O-CG 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.26Å; L222-L226 PolarHBondContact O-N 3.26Å; A223-L226 PolarHBondContact O-N 3.08Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-L226 PolarHBondContact O-N 3.2Å; L226-F283 HydrophobicContact CB-CD1 3.83Å; L226-F283 HydrophobicContact CB-CE1 4.21Å; L226-F283 HydrophobicContact CB-CG 4.3Å; L226-F283 HydrophobicContact CD1-CD2 4.39Å; L226-F283 HydrophobicContact CD1-CG 4.27Å; L226-A286 HydrophobicContact CD1-CB 4.32Å; L226-A286 HydrophobicContact CD2-CB 3.77Å; L226-L291 HydrophobicContact CD1-CD2 4Å; L226-L294 HydrophobicContact CD1-CD2 4.22Å
227	S	97.9	Very high	96.1	Very high	40 Å²	40	35.9 Å²	35.9	28%	0.28	17%	0.172	S	C	.	.	H	α-helix	trans	-137.7	-4.2	-170.1	65.3	0	0	0	0	116.3	A223 E224 M225 R229	A223-S227 PolarHBondContact O-N 3.39Å; A223-S227 PolarHBondContact O-OG 2.83Å; E224-S227 PolarHBondContact O-N 2.95Å; M225-S227 VanDerWaalsContact C-N 3.31Å; M225-S227 PolarHBondContact O-N 2.85Å; S227-R229 PolarHBondContact O-N 3.1Å; S227-R229 PolarHBondContact OG-N 3.48Å; S227-R229 PolarHBondContact OG-O 2.91Å
228	N	98.1	Very high	95.4	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	18%	0.184	C	C	.	.	S	Bend	trans	57.3	20	-172	-63	89	0	0	0	114	L120 Q123 H124 E224	L120-N228 PolarHBondContact O-ND2 2.84Å; Q123-N228 PolarHBondContact O-ND2 2.97Å; H124-N228 PolarHBondContact ND1-OD1 3.42Å; E224-N228 WeakPolarHBondContact O-CA 3.46Å; E224-N228 PolarHBondContact O-N 3.39Å
229	R	97.1	Very high	94.9	Very high	189 Å²	189	40 Å²	40	71%	0.713	19%	0.193	S	C	*	.	S	Bend	trans	-138.7	138.4	-177.4	-64.4	-178.9	-175.3	-178.4	2.1	111.2	S227 I231	S227-R229 PolarHBondContact O-N 3.1Å; S227-R229 PolarHBondContact OG-N 3.48Å; S227-R229 PolarHBondContact OG-O 2.91Å; R229-I231 PolarHBondContact O-N 3.22Å
230	P	97.9	Very high	94.6	Very high	36 Å²	36	40 Å²	40	23%	0.234	19%	0.193	C	C	.	.			trans	-61.6	129.9	176.3	25.8	-34.8	0	0	0	110	W196 E224 P233	W196-P230 HydrophobicContact CD2-CB 4.26Å; W196-P230 HydrophobicContact CE3-CB 3.66Å; W196-P230 HydrophobicContact CE3-CG 3.89Å; W196-P230 HydrophobicContact CH2-CG 4.44Å; W196-P230 HydrophobicContact CZ3-CB 4.11Å; W196-P230 HydrophobicContact CZ3-CG 3.83Å; E224-P230 WeakPolarHBondContact OE2-CA 3.43Å; P230-P233 HydrophobicContact CB-CB 4.48Å; P230-P233 HydrophobicContact CG-CB 4.09Å
231	I	98.4	Very high	94.3	Very high	20 Å²	20	40 Å²	40	10%	0.103	19%	0.192	C	C	.	.	S	Bend	trans	-71.1	-33	-176.5	-173.8	171.1	0	0	0	112.9	C220 A223 R229 P233 I247 W279 F283 L298	C220-I231 HydrophobicContact CB-CG2 4.23Å; A223-I231 HydrophobicContact CB-CB 3.81Å; A223-I231 HydrophobicContact CB-CD1 3.71Å; A223-I231 HydrophobicContact CB-CG1 4.31Å; A223-I231 HydrophobicContact CB-CG2 3.86Å; R229-I231 PolarHBondContact O-N 3.22Å; I231-P233 WeakPolarHBondContact O-CD 3.23Å; I231-I247 HydrophobicContact CD1-CD1 4.07Å; I231-I247 HydrophobicContact CG1-CD1 3.62Å; I231-W279 HydrophobicContact CD1-CH2 4.31Å; I231-W279 HydrophobicContact CD1-CZ3 3.69Å; I231-F283 HydrophobicContact CD1-CE2 4.44Å; I231-F283 HydrophobicContact CD1-CZ 4.11Å; I231-L298 HydrophobicContact CD1-CD1 3.99Å
232	F	98	Very high	93.9	Very high	1 Å²	1	42 Å²	42	0%	0.004	20%	0.203	C	C	.	.			trans	-126.9	74.7	-179.2	-51.7	-56.2	0	0	0	111.8	W196 W216 G234 Q240 H243 I244 I247 L298	W196-F232 WeakPolarHBondContact CA-O 3.38Å; W196-F232 WeakPolarHBondContact CB-O 3.44Å; W216-F232 HydrophobicContact CH2-CE2 4.17Å; W216-F232 HydrophobicContact CH2-CZ 4.46Å; W216-F232 HydrophobicContact CZ2-CD2 4.02Å; W216-F232 AromaticContact CZ2-CE2 3.51Å; W216-F232 HydrophobicContact CZ2-CE2 3.51Å; W216-F232 HydrophobicContact CZ2-CZ 4.19Å; F232-G234 PolarHBondContact O-N 3.02Å; F232-Q240 PolarHBondContact O-NE2 3.21Å; F232-Q240 VanDerWaalsContact O-NE2 3.12Å; F232-Q240 PolarHBondContact O-OE1 3.16Å; F232-H243 HydrophobicContact CB-CB 4.21Å; F232-H243 HydrophobicContact CD1-CB 4.28Å; F232-I244 HydrophobicContact CB-CG1 4.27Å; F232-I244 HydrophobicContact CD1-CB 4.43Å; F232-I244 HydrophobicContact CD1-CG1 3.89Å; F232-I244 HydrophobicContact CD2-CG1 3.89Å; F232-I244 HydrophobicContact CE1-CB 4.38Å; F232-I244 HydrophobicContact CE1-CG1 4.15Å; F232-I244 HydrophobicContact CE2-CG1 4.2Å; F232-I244 HydrophobicContact CG-CG1 3.75Å; F232-I244 HydrophobicContact CZ-CG1 4.32Å; F232-I247 HydrophobicContact CD1-CD1 4.16Å; F232-I247 HydrophobicContact CE1-CB 4.06Å; F232-I247 HydrophobicContact CE1-CD1 3.69Å; F232-I247 HydrophobicContact CE1-CG1 4.13Å; F232-L298 HydrophobicContact CE2-CD1 4.13Å; F232-L298 HydrophobicContact CE2-CD2 4.22Å; F232-L298 HydrophobicContact CZ-CD1 4.21Å
233	P	96.3	Very high	93.8	Very high	48 Å²	48	45.1 Å²	45.1	31%	0.312	22%	0.218	S	C	.	.			trans	-83	54.3	-174.9	35	-37	0	0	0	113.4	P230 I231	P230-P233 HydrophobicContact CB-CB 4.48Å; P230-P233 HydrophobicContact CG-CB 4.09Å; I231-P233 WeakPolarHBondContact O-CD 3.23Å
234	G	93.6	Very high	93.7	Very high	4 Å²	4	45.1 Å²	45.1	4%	0.041	22%	0.218	C	C	.	.			trans	-65	136.6	-178.1	0	0	0	0	0	113.6	W196 F232 Q240	W196-G234 PolarHBondContact NE1-O 3.05Å; F232-G234 PolarHBondContact O-N 3.02Å; G234-Q240 VanDerWaalsContact N-OE1 3.13Å
235	K	88.4	Confident	93.6	Very high	180 Å²	180	44.9 Å²	44.9	78%	0.783	22%	0.217	S	C	*	.	S	Bend	trans	-81.1	-29.7	-178.9	-62.8	177.8	-176.3	176.1	0	113.2	D239	K235-D239 WeakPolarHBondContact CB-OD2 3.41Å; K235-D239 PolarHBondContact N-OD2 3.46Å
236	H	84.9	Confident	93.5	Very high	108 Å²	108	46.3 Å²	46.3	50%	0.5	23%	0.232	S	C	.	.	S	Bend	trans	-148.7	177.4	177.3	52	77.3	0	0	0	110	L238 D239 Q240	H236-L238 PolarHBondContact O-N 3.22Å; H236-D239 PolarHBondContact ND1-N 3.45Å; H236-D239 WeakPolarHBondContact O-CB 3.46Å; H236-D239 PolarHBondContact O-N 2.82Å; H236-D239 VanDerWaalsContact O-N 3.1Å; H236-Q240 PolarHBondContact O-N 3.22Å
237	Y	78.8	Confident	93.5	Very high	34 Å²	34	45.8 Å²	45.8	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-55.5	-52	-169.9	-174.4	-85.5	0	0	0	114.1	L188 I202 M203 D239 Q240 L241	L188-Y237 HydrophobicContact CD2-CD1 3.61Å; L188-Y237 HydrophobicContact CD2-CE1 3.42Å; L188-Y237 VanDerWaalsContact CD2-CE1 3.42Å; L188-Y237 HydrophobicContact CD2-CG 4.36Å; L188-Y237 HydrophobicContact CG-CE1 4.46Å; I202-Y237 PolarHBondContact O-OH 3.11Å; M203-Y237 VanDerWaalsContact C-CZ 3.48Å; M203-Y237 WeakPolarHBondContact CA-OH 3.37Å; M203-Y237 HydrophobicContact CB-CD1 4.21Å; M203-Y237 HydrophobicContact CB-CE1 3.65Å; M203-Y237 HydrophobicContact CB-CE2 4.26Å; M203-Y237 HydrophobicContact CG-CD1 4.03Å; M203-Y237 HydrophobicContact CG-CD2 4.04Å; M203-Y237 HydrophobicContact CG-CE1 3.91Å; M203-Y237 HydrophobicContact CG-CE2 3.94Å; M203-Y237 HydrophobicContact CG-CG 4.14Å; M203-Y237 WeakPolarHBondContact O-CE1 3.17Å; M203-Y237 PolarHBondContact O-OH 3.47Å; Y237-D239 VanDerWaalsContact C-N 3.31Å; Y237-D239 PolarHBondContact O-N 3.17Å; Y237-Q240 WeakPolarHBondContact O-CB 3.34Å; Y237-Q240 PolarHBondContact O-N 2.89Å; Y237-L241 PolarHBondContact O-N 3.26Å
238	L	83.8	Confident	93.5	Very high	62 Å²	62	44.9 Å²	44.9	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-68.1	-31.5	177.6	-66.9	177	0	0	0	112.8	H236 L241 N242 Y267	H236-L238 PolarHBondContact O-N 3.22Å; L238-L241 PolarHBondContact O-N 3.19Å; L238-N242 PolarHBondContact O-N 3.44Å; L238-N242 PolarHBondContact O-ND2 3.44Å; L238-Y267 HydrophobicContact CD2-CE1 4.12Å; L238-Y267 HydrophobicContact CD2-CE2 4.28Å
239	D	89.9	Confident	93.5	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-39.8	177.9	-164.9	42	0	0	0	111	K235 H236 Y237 L241 N242 H243	K235-D239 WeakPolarHBondContact CB-OD2 3.41Å; K235-D239 PolarHBondContact N-OD2 3.46Å; H236-D239 PolarHBondContact ND1-N 3.45Å; H236-D239 WeakPolarHBondContact O-CB 3.46Å; H236-D239 PolarHBondContact O-N 2.82Å; H236-D239 VanDerWaalsContact O-N 3.1Å; Y237-D239 VanDerWaalsContact C-N 3.31Å; Y237-D239 PolarHBondContact O-N 3.17Å; D239-L241 VanDerWaalsContact C-N 3.33Å; D239-L241 PolarHBondContact O-N 3.4Å; D239-N242 WeakPolarHBondContact O-CB 3.41Å; D239-N242 PolarHBondContact O-N 2.96Å; D239-N242 VanDerWaalsContact O-N 3.12Å; D239-H243 PolarHBondContact O-CD2 3.37Å; D239-H243 VanDerWaalsContact O-CD2 3.26Å; D239-H243 PolarHBondContact O-N 3.14Å; D239-H243 IonicContact OD1-CD2 2.93Å; D239-H243 IonicContact OD2-CD2 3.95Å; D239-H243 IonicContact OD2-NE2 3.43Å
240	Q	92.5	Very high	93.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.1	-49	173.4	-173.1	64.5	29.4	0	0	111.3	R195 W196 M203 F232 G234 H236 Y237 N242 H243 I244	R195-Q240 HydrophobicContact CB-CG 4.39Å; R195-Q240 PolarHBondContact O-NE2 2.87Å; R195-Q240 PolarHBondContact O-OE1 3.14Å; W196-Q240 PolarHBondContact O-NE2 2.86Å; M203-Q240 HydrophobicContact CE-CB 4.38Å; M203-Q240 HydrophobicContact CE-CG 3.79Å; M203-Q240 HydrophobicContact SD-CG 4.21Å; F232-Q240 PolarHBondContact O-NE2 3.21Å; F232-Q240 VanDerWaalsContact O-NE2 3.12Å; F232-Q240 PolarHBondContact O-OE1 3.16Å; G234-Q240 VanDerWaalsContact N-OE1 3.13Å; H236-Q240 PolarHBondContact O-N 3.22Å; Y237-Q240 WeakPolarHBondContact O-CB 3.34Å; Y237-Q240 PolarHBondContact O-N 2.89Å; Q240-N242 VanDerWaalsContact C-N 3.34Å; Q240-N242 PolarHBondContact O-N 3.04Å; Q240-H243 PolarHBondContact O-N 3.17Å; Q240-I244 HydrophobicContact CG-CD1 4.37Å; Q240-I244 WeakPolarHBondContact O-CG1 3.13Å; Q240-I244 PolarHBondContact O-N 3.08Å; Q240-I244 VanDerWaalsContact O-N 3.13Å
241	L	91.1	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-40.3	177.1	-178.1	59.5	0	0	0	111.7	P200 M203 L204 Y237 L238 D239 H243 I244 L245 Y267 L268	P200-L241 HydrophobicContact CB-CD1 4.27Å; M203-L241 HydrophobicContact CB-CB 4.31Å; M203-L241 HydrophobicContact CB-CD2 4.45Å; M203-L241 HydrophobicContact CE-CB 4.44Å; M203-L241 HydrophobicContact CG-CB 4.48Å; L204-L241 HydrophobicContact CD2-CD2 3.77Å; L204-L241 HydrophobicContact CG-CD2 4.44Å; Y237-L241 PolarHBondContact O-N 3.26Å; L238-L241 PolarHBondContact O-N 3.19Å; D239-L241 VanDerWaalsContact C-N 3.33Å; D239-L241 PolarHBondContact O-N 3.4Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 2.83Å; L241-I244 PolarHBondContact O-N 3.12Å; L241-L245 HydrophobicContact CD1-CD1 4.19Å; L241-L245 HydrophobicContact CD1-CG 4.15Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 HydrophobicContact CG-CG 4.39Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.47Å; L241-L245 PolarHBondContact O-N 2.8Å; L241-Y267 HydrophobicContact CD2-CD1 4.17Å; L241-Y267 HydrophobicContact CD2-CE1 3.71Å; L241-L268 HydrophobicContact CD2-CD2 4.18Å
242	N	92.3	Very high	93	Very high	43 Å²	43	37.4 Å²	37.4	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-37.8	176.7	-77.4	-34.1	0	0	0	113.3	L238 D239 Q240 G246 R274	L238-N242 PolarHBondContact O-N 3.44Å; L238-N242 PolarHBondContact O-ND2 3.44Å; D239-N242 WeakPolarHBondContact O-CB 3.41Å; D239-N242 PolarHBondContact O-N 2.96Å; D239-N242 VanDerWaalsContact O-N 3.12Å; Q240-N242 VanDerWaalsContact C-N 3.34Å; Q240-N242 PolarHBondContact O-N 3.04Å; N242-G246 PolarHBondContact O-N 2.99Å; N242-R274 PolarHBondContact O-NH1 3.19Å
243	H	96.4	Very high	92.8	Very high	65 Å²	65	43.1 Å²	43.1	30%	0.301	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-45.2	173.6	-88.2	-81.4	0	0	0	111.1	F232 D239 Q240 L241 G246 I247	F232-H243 HydrophobicContact CB-CB 4.21Å; F232-H243 HydrophobicContact CD1-CB 4.28Å; D239-H243 PolarHBondContact O-CD2 3.37Å; D239-H243 VanDerWaalsContact O-CD2 3.26Å; D239-H243 PolarHBondContact O-N 3.14Å; D239-H243 IonicContact OD1-CD2 2.93Å; D239-H243 IonicContact OD2-CD2 3.95Å; D239-H243 IonicContact OD2-NE2 3.43Å; Q240-H243 PolarHBondContact O-N 3.17Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 2.83Å; H243-G246 PolarHBondContact O-N 3.26Å; H243-I247 PolarHBondContact O-N 3.27Å
244	I	97.1	Very high	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-53.5	178	-66.4	168.8	0	0	0	110.9	P200 M203 W216 F232 Q240 L241 G246 I247 L248	P200-I244 HydrophobicContact CB-CD1 4.42Å; P200-I244 HydrophobicContact CB-CG2 4.42Å; M203-I244 HydrophobicContact CE-CD1 3.41Å; M203-I244 VanDerWaalsContact CE-CD1 3.41Å; W216-I244 HydrophobicContact CH2-CD1 4.38Å; W216-I244 HydrophobicContact CH2-CG1 4.4Å; W216-I244 HydrophobicContact CH2-CG2 3.62Å; W216-I244 HydrophobicContact CZ2-CD1 3.67Å; W216-I244 HydrophobicContact CZ2-CG1 3.83Å; W216-I244 HydrophobicContact CZ2-CG2 3.94Å; F232-I244 HydrophobicContact CB-CG1 4.27Å; F232-I244 HydrophobicContact CD1-CB 4.43Å; F232-I244 HydrophobicContact CD1-CG1 3.89Å; F232-I244 HydrophobicContact CD2-CG1 3.89Å; F232-I244 HydrophobicContact CE1-CB 4.38Å; F232-I244 HydrophobicContact CE1-CG1 4.15Å; F232-I244 HydrophobicContact CE2-CG1 4.2Å; F232-I244 HydrophobicContact CG-CG1 3.75Å; F232-I244 HydrophobicContact CZ-CG1 4.32Å; Q240-I244 HydrophobicContact CG-CD1 4.37Å; Q240-I244 WeakPolarHBondContact O-CG1 3.13Å; Q240-I244 PolarHBondContact O-N 3.08Å; Q240-I244 VanDerWaalsContact O-N 3.13Å; L241-I244 PolarHBondContact O-N 3.12Å; I244-G246 PolarHBondContact O-N 3.39Å; I244-I247 PolarHBondContact O-N 3.36Å; I244-L248 HydrophobicContact CG2-CD1 3.81Å; I244-L248 HydrophobicContact CG2-CG 4.23Å; I244-L248 PolarHBondContact O-N 2.9Å
245	L	96.3	Very high	92.5	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-22.6	178.9	-62.4	177.5	0	0	0	112.9	L241 I247 G249 P251 L268 L271 R274 F300	L241-L245 HydrophobicContact CD1-CD1 4.19Å; L241-L245 HydrophobicContact CD1-CG 4.15Å; L241-L245 HydrophobicContact CG-CD1 4.04Å; L241-L245 HydrophobicContact CG-CG 4.39Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.47Å; L241-L245 PolarHBondContact O-N 2.8Å; L245-I247 PolarHBondContact O-N 3.5Å; L245-G249 WeakPolarHBondContact CD2-O 3.41Å; L245-G249 CarbonylContact O-C 3.59Å; L245-G249 VanDerWaalsContact O-CA 3.28Å; L245-G249 WeakPolarHBondContact O-CA 3.39Å; L245-G249 PolarHBondContact O-N 3.41Å; L245-P251 HydrophobicContact CD2-CG 3.92Å; L245-L268 HydrophobicContact CD1-CD2 3.65Å; L245-L271 HydrophobicContact CD1-CD1 3.51Å; L245-R274 WeakPolarHBondContact O-CD 3.23Å; L245-F300 HydrophobicContact CD2-CD2 4.29Å; L245-F300 HydrophobicContact CD2-CE2 3.9Å
246	G	97.1	Very high	92.6	Very high	31 Å²	31	39.2 Å²	39.2	32%	0.32	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-26.3	173	0	0	0	0	0	113.4	N242 H243 I244 V277	N242-G246 PolarHBondContact O-N 2.99Å; H243-G246 PolarHBondContact O-N 3.26Å; I244-G246 PolarHBondContact O-N 3.39Å; G246-V277 WeakPolarHBondContact O-CG2 3.26Å
247	I	98.1	Very high	92.8	Very high	24 Å²	24	38.3 Å²	38.3	12%	0.123	21%	0.209	C	C	.	.	H	α-helix	trans	-104.1	-48.8	178.8	-61	-174.1	0	0	0	111.1	I231 F232 H243 I244 L245 G249 K276 V277 W279 L282	I231-I247 HydrophobicContact CD1-CD1 4.07Å; I231-I247 HydrophobicContact CG1-CD1 3.62Å; F232-I247 HydrophobicContact CD1-CD1 4.16Å; F232-I247 HydrophobicContact CE1-CB 4.06Å; F232-I247 HydrophobicContact CE1-CD1 3.69Å; F232-I247 HydrophobicContact CE1-CG1 4.13Å; H243-I247 PolarHBondContact O-N 3.27Å; I244-I247 PolarHBondContact O-N 3.36Å; L245-I247 PolarHBondContact O-N 3.5Å; I247-G249 VanDerWaalsContact C-N 3.25Å; I247-G249 PolarHBondContact O-N 3.14Å; I247-K276 CarbonylContact O-C 3.59Å; I247-K276 WeakPolarHBondContact O-CA 3.44Å; I247-V277 HydrophobicContact CG2-CB 4.47Å; I247-V277 PolarHBondContact O-N 2.84Å; I247-W279 HydrophobicContact CG2-CE3 4.28Å; I247-W279 HydrophobicContact CG2-CH2 3.72Å; I247-W279 HydrophobicContact CG2-CZ3 3.47Å; I247-W279 VanDerWaalsContact CG2-CZ3 3.47Å; I247-L282 HydrophobicContact CD1-CD1 3.97Å; I247-L282 HydrophobicContact CG1-CD1 4.4Å; I247-L282 HydrophobicContact CG2-CD1 3.68Å
248	L	98	Very high	93.1	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.105	22%	0.221	C	C	.	.	H	α-helix	trans	-73.1	-19.2	-178.3	-62.7	-170.1	0	0	0	113.3	W216 I244 K276 W279 L298 F300	W216-L248 HydrophobicContact CH2-CD1 3.73Å; W216-L248 HydrophobicContact CZ3-CD1 4.02Å; I244-L248 HydrophobicContact CG2-CD1 3.81Å; I244-L248 HydrophobicContact CG2-CG 4.23Å; I244-L248 PolarHBondContact O-N 2.9Å; L248-K276 WeakPolarHBondContact O-CB 3.45Å; L248-W279 HydrophobicContact CD2-CH2 3.74Å; L248-W279 HydrophobicContact CD2-CZ2 3.67Å; L248-L298 VanDerWaalsContact CD1-O 3.28Å; L248-L298 WeakPolarHBondContact CD1-O 3.1Å; L248-L298 WeakPolarHBondContact CD2-O 3.41Å; L248-F300 HydrophobicContact CD1-CB 4.12Å
249	G	97.1	Very high	93.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.031	21%	0.208	C	C	.	.			trans	81.5	-174.3	-171.8	0	0	0	0	0	112.4	L245 I247 R274	L245-G249 WeakPolarHBondContact CD2-O 3.41Å; L245-G249 CarbonylContact O-C 3.59Å; L245-G249 VanDerWaalsContact O-CA 3.28Å; L245-G249 WeakPolarHBondContact O-CA 3.39Å; L245-G249 PolarHBondContact O-N 3.41Å; I247-G249 VanDerWaalsContact C-N 3.25Å; I247-G249 PolarHBondContact O-N 3.14Å; G249-R274 WeakPolarHBondContact CA-O 3.27Å
250	S	95.4	Very high	92.6	Very high	50 Å²	50	40.6 Å²	40.6	35%	0.35	23%	0.227	S	C	.	.	S	Bend	trans	-67.6	136.9	175.2	-65.7	0	0	0	0	110.7	V273 R274	S250-V273 WeakPolarHBondContact OG-CA 3.3Å; S250-R274 PolarHBondContact N-O 3.43Å; S250-R274 PolarHBondContact OG-N 3.16Å
251	P	94.9	Very high	92	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.143	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-61.4	148.7	177.1	-20.1	33.4	0	0	0	111.3	L245 D255 L256 L268 F300	L245-P251 HydrophobicContact CD2-CG 3.92Å; P251-D255 HydrophobicContact CB-CB 4.31Å; P251-L256 HydrophobicContact CB-CD2 4.09Å; P251-L256 HydrophobicContact CB-CG 4.15Å; P251-L256 HydrophobicContact CG-CD2 4.3Å; P251-L268 HydrophobicContact CG-CD1 4.47Å; P251-F300 HydrophobicContact CB-CD1 3.96Å; P251-F300 HydrophobicContact CB-CE1 3.73Å; P251-F300 HydrophobicContact CB-CG 4.49Å; P251-F300 HydrophobicContact CB-CZ 4.07Å; P251-F300 HydrophobicContact CG-CD1 4.18Å; P251-F300 HydrophobicContact CG-CD2 4.24Å; P251-F300 HydrophobicContact CG-CE1 3.73Å; P251-F300 HydrophobicContact CG-CE2 3.79Å; P251-F300 HydrophobicContact CG-CG 4.43Å; P251-F300 HydrophobicContact CG-CZ 3.51Å
252	S	94.2	Very high	91.6	Very high	51 Å²	51	47.7 Å²	47.7	36%	0.357	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-66.1	160.9	175.9	72.9	0	0	0	0	111.3	E254 D255 L256	S252-E254 PolarHBondContact O-N 3.06Å; S252-D255 PolarHBondContact O-N 2.89Å; S252-D255 VanDerWaalsContact O-N 3.15Å; S252-D255 PolarHBondContact OG-N 2.86Å; S252-D255 VanDerWaalsContact OG-N 3.14Å; S252-D255 PolarHBondContact OG-OD2 3.43Å; S252-L256 WeakPolarHBondContact O-CG 3.26Å; S252-L256 PolarHBondContact O-N 2.96Å
253	Q	91.8	Very high	91.1	Very high	121 Å²	121	52.9 Å²	52.9	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-59.2	-35.3	175.7	-173.3	59.5	53.4	0	0	111.9	N257	Q253-N257 PolarHBondContact NE2-OD1 2.69Å; Q253-N257 PolarHBondContact O-N 3.05Å; Q253-N257 VanDerWaalsContact O-N 3.08Å; Q253-N257 PolarHBondContact O-ND2 2.89Å; Q253-N257 PolarHBondContact O-OD1 3.33Å
254	E	92.7	Very high	90.5	Very high	115 Å²	115	49.8 Å²	49.8	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-63.1	-47.5	175.6	-166.5	-164.8	154.6	0	0	111.2	S252 L256 N257 C258 K304	S252-E254 PolarHBondContact O-N 3.06Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 3.23Å; E254-N257 WeakPolarHBondContact O-CB 3.45Å; E254-N257 PolarHBondContact O-N 3.17Å; E254-N257 VanDerWaalsContact O-N 3.13Å; E254-C258 PolarHBondContact O-N 3.27Å; E254-K304 WeakPolarHBondContact OE1-CE 3.36Å; E254-K304 IonicContact OE1-NZ 2.83Å; E254-K304 PolarHBondContact OE1-NZ 3.04Å; E254-K304 IonicContact OE2-NZ 3.85Å; E254-K304 PolarHBondContact OE2-NZ 3.26Å
255	D	92.5	Very high	90	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-68.6	-34.5	-179.7	-55.9	-37.2	0	0	0	112	P251 S252 N257 C258 F300 N301 K304	P251-D255 HydrophobicContact CB-CB 4.31Å; S252-D255 PolarHBondContact O-N 2.89Å; S252-D255 VanDerWaalsContact O-N 3.15Å; S252-D255 PolarHBondContact OG-N 2.86Å; S252-D255 VanDerWaalsContact OG-N 3.14Å; S252-D255 PolarHBondContact OG-OD2 3.43Å; D255-N257 VanDerWaalsContact C-N 3.28Å; D255-N257 PolarHBondContact O-N 3.09Å; D255-C258 WeakPolarHBondContact O-CB 3.41Å; D255-C258 PolarHBondContact O-N 3.07Å; D255-F300 HydrophobicContact CB-CD1 4.09Å; D255-F300 HydrophobicContact CB-CE1 4.44Å; D255-N301 HydrophobicContact CB-CB 4.24Å; D255-N301 VanDerWaalsContact OD1-CB 3.29Å; D255-N301 WeakPolarHBondContact OD1-CB 3.3Å; D255-N301 PolarHBondContact OD1-ND2 2.97Å; D255-K304 IonicContact OD1-NZ 2.89Å; D255-K304 PolarHBondContact OD1-NZ 3.13Å
256	L	90	Very high	89.6	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-36.1	172.2	-71.1	174.7	0	0	0	112	P251 S252 E254 C258 I259 R265 L268 L269	P251-L256 HydrophobicContact CB-CD2 4.09Å; P251-L256 HydrophobicContact CB-CG 4.15Å; P251-L256 HydrophobicContact CG-CD2 4.3Å; S252-L256 WeakPolarHBondContact O-CG 3.26Å; S252-L256 PolarHBondContact O-N 2.96Å; E254-L256 VanDerWaalsContact C-N 3.35Å; E254-L256 PolarHBondContact O-N 3.23Å; L256-C258 VanDerWaalsContact C-N 3.26Å; L256-C258 PolarHBondContact O-N 2.91Å; L256-I259 HydrophobicContact CD2-CD1 4.24Å; L256-I259 PolarHBondContact O-N 3.05Å; L256-I259 VanDerWaalsContact O-N 3.13Å; L256-R265 PolarHBondContact O-NE 3.4Å; L256-R265 VanDerWaalsContact O-NE 3.1Å; L256-R265 PolarHBondContact O-NH2 3.32Å; L256-L268 HydrophobicContact CD2-CB 3.84Å; L256-L268 HydrophobicContact CD2-CD1 3.72Å; L256-L268 HydrophobicContact CD2-CG 4.46Å; L256-L269 HydrophobicContact CD1-CD2 3.8Å
257	N	87.9	Confident	89.1	Confident	89 Å²	89	57.8 Å²	57.8	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-67.5	-26.9	178.6	-68.8	-17	0	0	0	112.4	Q253 E254 D255 I259 R265	Q253-N257 PolarHBondContact NE2-OD1 2.69Å; Q253-N257 PolarHBondContact O-N 3.05Å; Q253-N257 VanDerWaalsContact O-N 3.08Å; Q253-N257 PolarHBondContact O-ND2 2.89Å; Q253-N257 PolarHBondContact O-OD1 3.33Å; E254-N257 WeakPolarHBondContact O-CB 3.45Å; E254-N257 PolarHBondContact O-N 3.17Å; E254-N257 VanDerWaalsContact O-N 3.13Å; D255-N257 VanDerWaalsContact C-N 3.28Å; D255-N257 PolarHBondContact O-N 3.09Å; N257-I259 VanDerWaalsContact C-N 3.25Å; N257-I259 PolarHBondContact O-N 2.67Å; N257-R265 PolarHBondContact O-NH2 3.4Å
258	C	86.5	Confident	88.7	Confident	57 Å²	57	57.2 Å²	57.2	39%	0.385	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18	173.2	-61.8	0	0	0	0	113.4	E254 D255 L256 I260 N301	E254-C258 PolarHBondContact O-N 3.27Å; D255-C258 WeakPolarHBondContact O-CB 3.41Å; D255-C258 PolarHBondContact O-N 3.07Å; L256-C258 VanDerWaalsContact C-N 3.26Å; L256-C258 PolarHBondContact O-N 2.91Å; C258-I260 PolarHBondContact O-N 3Å; C258-N301 PolarHBondContact SG-ND2 3.16Å
259	I	84.4	Confident	88.4	Confident	9 Å²	9	61 Å²	61	5%	0.046	32%	0.315	C	S	.	.			trans	-84.4	99	-179.5	-57.4	169.4	0	0	0	109.5	L204 L256 N257 N261 A264 R265 L268 F300	L204-I259 HydrophobicContact CD1-CD1 4Å; L256-I259 HydrophobicContact CD2-CD1 4.24Å; L256-I259 PolarHBondContact O-N 3.05Å; L256-I259 VanDerWaalsContact O-N 3.13Å; N257-I259 VanDerWaalsContact C-N 3.25Å; N257-I259 PolarHBondContact O-N 2.67Å; I259-N261 VanDerWaalsContact C-N 3.3Å; I259-N261 PolarHBondContact O-N 2.97Å; I259-A264 HydrophobicContact CG2-CB 4Å; I259-R265 HydrophobicContact CG2-CB 4.38Å; I259-R265 VanDerWaalsContact O-CZ 3.23Å; I259-R265 PolarHBondContact O-NE 3.18Å; I259-R265 PolarHBondContact O-NH2 2.73Å; I259-L268 HydrophobicContact CD1-CD1 3.3Å; I259-F300 HydrophobicContact CD1-CE1 4.24Å; I259-F300 HydrophobicContact CD1-CZ 4.36Å
260	I	78.3	Confident	88.1	Confident	113 Å²	113	65 Å²	65	58%	0.579	34%	0.343	S	S	*	.			trans	-65.8	-33.2	-177.3	-53.9	172.6	0	0	0	111.9	C258 L262	C258-I260 PolarHBondContact O-N 3Å; I260-L262 PolarHBondContact O-N 3.22Å; I260-L262 VanDerWaalsContact O-N 3.13Å
261	N	80.1	Confident	87.9	Confident	32 Å²	32	64.3 Å²	64.3	17%	0.171	34%	0.335	C	S	.	.			trans	-71	109.4	-177.3	-172.7	-55.6	0	0	0	111.5	F187 N205 I259 K263 A264 R265	F187-N261 PolarHBondContact N-ND2 3.11Å; N205-N261 HydrophobicContact CB-CB 3.78Å; I259-N261 VanDerWaalsContact C-N 3.3Å; I259-N261 PolarHBondContact O-N 2.97Å; N261-K263 VanDerWaalsContact C-N 3.29Å; N261-K263 PolarHBondContact O-N 2.94Å; N261-K263 WeakPolarHBondContact OD1-CB 3.47Å; N261-K263 PolarHBondContact OD1-N 3.24Å; N261-A264 HydrophobicContact CB-CB 4Å; N261-A264 PolarHBondContact O-N 3.45Å; N261-A264 PolarHBondContact OD1-N 2.96Å; N261-R265 PolarHBondContact O-N 3.38Å
262	L	82.7	Confident	87.9	Confident	116 Å²	116	67.8 Å²	67.8	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-35	-178.4	-69	174.2	0	0	0	113.5	I260 N266	I260-L262 PolarHBondContact O-N 3.22Å; I260-L262 VanDerWaalsContact O-N 3.13Å; L262-N266 VanDerWaalsContact O-CB 3.23Å; L262-N266 WeakPolarHBondContact O-CB 3.03Å; L262-N266 PolarHBondContact O-N 3.28Å; L262-N266 PolarHBondContact O-ND2 3.02Å
263	K	82.6	Confident	87.9	Confident	153 Å²	153	71.7 Å²	71.7	67%	0.665	38%	0.379	S	S	*	.	H	α-helix	trans	-66.9	-45.5	178.4	-66	-177.7	178.9	178.4	0	110.9	F187 N261 N266 Y267	F187-K263 HydrophobicContact CD1-CB 4.3Å; F187-K263 HydrophobicContact CG-CB 4.47Å; N261-K263 VanDerWaalsContact C-N 3.29Å; N261-K263 PolarHBondContact O-N 2.94Å; N261-K263 WeakPolarHBondContact OD1-CB 3.47Å; N261-K263 PolarHBondContact OD1-N 3.24Å; K263-N266 PolarHBondContact O-N 3.11Å; K263-Y267 WeakPolarHBondContact O-CB 3.37Å; K263-Y267 PolarHBondContact O-N 2.97Å
264	A	81.9	Confident	88	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-44.4	177.4	0	0	0	0	0	111.6	F187 L204 I259 N261 Y267 L268	F187-A264 HydrophobicContact CD2-CB 3.82Å; F187-A264 HydrophobicContact CE2-CB 3.94Å; L204-A264 HydrophobicContact CB-CB 4Å; L204-A264 HydrophobicContact CD2-CB 3.85Å; L204-A264 WeakPolarHBondContact O-CB 3.49Å; I259-A264 HydrophobicContact CG2-CB 4Å; N261-A264 HydrophobicContact CB-CB 4Å; N261-A264 PolarHBondContact O-N 3.45Å; N261-A264 PolarHBondContact OD1-N 2.96Å; A264-Y267 WeakPolarHBondContact O-CB 3.5Å; A264-Y267 PolarHBondContact O-N 2.98Å; A264-L268 WeakPolarHBondContact O-CG 3.17Å; A264-L268 PolarHBondContact O-N 3.43Å; A264-L268 VanDerWaalsContact O-N 3.09Å
265	R	87	Confident	88.2	Confident	57 Å²	57	69.8 Å²	69.8	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-61.7	-48.3	176.3	-171.2	-173.9	-66.5	-167.5	-4.6	111.9	L256 N257 I259 N261 Y267 L268 L269	L256-R265 PolarHBondContact O-NE 3.4Å; L256-R265 VanDerWaalsContact O-NE 3.1Å; L256-R265 PolarHBondContact O-NH2 3.32Å; N257-R265 PolarHBondContact O-NH2 3.4Å; I259-R265 HydrophobicContact CG2-CB 4.38Å; I259-R265 VanDerWaalsContact O-CZ 3.23Å; I259-R265 PolarHBondContact O-NE 3.18Å; I259-R265 PolarHBondContact O-NH2 2.73Å; N261-R265 PolarHBondContact O-N 3.38Å; R265-Y267 VanDerWaalsContact C-N 3.3Å; R265-Y267 PolarHBondContact O-N 3.23Å; R265-L268 PolarHBondContact O-N 3.02Å; R265-L269 HydrophobicContact CG-CD1 4.23Å; R265-L269 WeakPolarHBondContact O-CG 3.26Å; R265-L269 PolarHBondContact O-N 3.31Å
266	N	88.1	Confident	88.5	Confident	97 Å²	97	73 Å²	73	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-36.7	178.7	-71.4	-12.9	0	0	0	112	L262 K263 L269 S270	L262-N266 VanDerWaalsContact O-CB 3.23Å; L262-N266 WeakPolarHBondContact O-CB 3.03Å; L262-N266 PolarHBondContact O-N 3.28Å; L262-N266 PolarHBondContact O-ND2 3.02Å; K263-N266 PolarHBondContact O-N 3.11Å; N266-L269 PolarHBondContact O-N 2.89Å; N266-S270 WeakPolarHBondContact O-CB 3.34Å; N266-S270 PolarHBondContact O-N 2.98Å
267	Y	87.3	Confident	88.9	Confident	49 Å²	49	74 Å²	74	19%	0.192	40%	0.397	C	S	.	.	H	α-helix	trans	-59.5	-49.3	173.2	172.7	-102.1	0	0	0	111.2	L238 L241 K263 A264 R265 L269 S270 L271	L238-Y267 HydrophobicContact CD2-CE1 4.12Å; L238-Y267 HydrophobicContact CD2-CE2 4.28Å; L241-Y267 HydrophobicContact CD2-CD1 4.17Å; L241-Y267 HydrophobicContact CD2-CE1 3.71Å; K263-Y267 WeakPolarHBondContact O-CB 3.37Å; K263-Y267 PolarHBondContact O-N 2.97Å; A264-Y267 WeakPolarHBondContact O-CB 3.5Å; A264-Y267 PolarHBondContact O-N 2.98Å; R265-Y267 VanDerWaalsContact C-N 3.3Å; R265-Y267 PolarHBondContact O-N 3.23Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 3.46Å; Y267-S270 WeakPolarHBondContact O-CB 3.11Å; Y267-S270 PolarHBondContact O-N 2.77Å; Y267-S270 VanDerWaalsContact O-N 3.12Å; Y267-S270 PolarHBondContact O-OG 2.87Å; Y267-L271 HydrophobicContact CE1-CD1 4Å; Y267-L271 HydrophobicContact CE2-CD2 4.39Å; Y267-L271 PolarHBondContact O-N 3.41Å
268	L	89.6	Confident	89.4	Confident	12 Å²	12	73 Å²	73	6%	0.063	40%	0.395	C	S	.	.	H	α-helix	trans	-61.6	-41.1	177.9	-68.3	172	0	0	0	112.5	L204 L241 L245 P251 L256 I259 A264 R265 S270 L271 F300	L204-L268 HydrophobicContact CD1-CD1 3.99Å; L204-L268 HydrophobicContact CD2-CD1 3.91Å; L204-L268 HydrophobicContact CD2-CD2 4.3Å; L204-L268 HydrophobicContact CD2-CG 4.07Å; L241-L268 HydrophobicContact CD2-CD2 4.18Å; L245-L268 HydrophobicContact CD1-CD2 3.65Å; P251-L268 HydrophobicContact CG-CD1 4.47Å; L256-L268 HydrophobicContact CD2-CB 3.84Å; L256-L268 HydrophobicContact CD2-CD1 3.72Å; L256-L268 HydrophobicContact CD2-CG 4.46Å; I259-L268 HydrophobicContact CD1-CD1 3.3Å; A264-L268 WeakPolarHBondContact O-CG 3.17Å; A264-L268 PolarHBondContact O-N 3.43Å; A264-L268 VanDerWaalsContact O-N 3.09Å; R265-L268 PolarHBondContact O-N 3.02Å; L268-S270 PolarHBondContact O-N 3.16Å; L268-L271 HydrophobicContact CD2-CD1 4.32Å; L268-L271 PolarHBondContact O-N 2.98Å; L268-F300 HydrophobicContact CD1-CZ 4.22Å
269	L	90.9	Very high	89.9	Confident	99 Å²	99	71.2 Å²	71.2	52%	0.518	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-25.2	176.1	-72.1	171.3	0	0	0	113.3	L256 R265 N266 Y267 L271	L256-L269 HydrophobicContact CD1-CD2 3.8Å; R265-L269 HydrophobicContact CG-CD1 4.23Å; R265-L269 WeakPolarHBondContact O-CG 3.26Å; R265-L269 PolarHBondContact O-N 3.31Å; N266-L269 PolarHBondContact O-N 2.89Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 3.46Å; L269-L271 VanDerWaalsContact C-N 3.33Å
270	S	92	Very high	90.6	Very high	89 Å²	89	75.4 Å²	75.4	62%	0.622	40%	0.403	S	S	*	.	H	α-helix	trans	-78.9	-15	177.1	77.3	0	0	0	0	113.8	N266 Y267 L268	N266-S270 WeakPolarHBondContact O-CB 3.34Å; N266-S270 PolarHBondContact O-N 2.98Å; Y267-S270 WeakPolarHBondContact O-CB 3.11Å; Y267-S270 PolarHBondContact O-N 2.77Å; Y267-S270 VanDerWaalsContact O-N 3.12Å; Y267-S270 PolarHBondContact O-OG 2.87Å; L268-S270 PolarHBondContact O-N 3.16Å
271	L	91.6	Very high	91.5	Very high	34 Å²	34	79.5 Å²	79.5	18%	0.178	41%	0.411	C	S	.	.	S	Bend	trans	-77.4	146.7	-179.3	-64	175.8	0	0	0	110.9	L245 Y267 L268 L269	L245-L271 HydrophobicContact CD1-CD1 3.51Å; Y267-L271 HydrophobicContact CE1-CD1 4Å; Y267-L271 HydrophobicContact CE2-CD2 4.39Å; Y267-L271 PolarHBondContact O-N 3.41Å; L268-L271 HydrophobicContact CD2-CD1 4.32Å; L268-L271 PolarHBondContact O-N 2.98Å; L269-L271 VanDerWaalsContact C-N 3.33Å
272	P	93	Very high	92.3	Very high	95 Å²	95	81.2 Å²	81.2	62%	0.617	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-57.8	144.2	171.1	-22.6	32.8	0	0	0	111.6	R274	P272-R274 PolarHBondContact O-N 3.41Å
273	V	94.1	Very high	93.1	Very high	134 Å²	134	76.3 Å²	76.3	81%	0.812	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-63.1	132.3	176.7	179.1	0	0	0	0	110.4	S250	S250-V273 WeakPolarHBondContact OG-CA 3.3Å
274	R	95.4	Very high	93.8	Very high	82 Å²	82	73.6 Å²	73.6	31%	0.309	39%	0.392	S	S	.	.			trans	-124.1	139	179.2	-62.4	-178.9	-173.4	-177.2	3.1	110.7	N242 L245 G249 S250 P272	N242-R274 PolarHBondContact O-NH1 3.19Å; L245-R274 WeakPolarHBondContact O-CD 3.23Å; G249-R274 WeakPolarHBondContact CA-O 3.27Å; S250-R274 PolarHBondContact N-O 3.43Å; S250-R274 PolarHBondContact OG-N 3.16Å; P272-R274 PolarHBondContact O-N 3.41Å
275	C	96.7	Very high	94.5	Very high	114 Å²	114	81.3 Å²	81.3	77%	0.77	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-83.3	145.5	171.6	-63.8	0	0	0	0	110.4	V277	C275-V277 PolarHBondContact O-N 2.73Å
276	K	97.9	Very high	95	Very high	90 Å²	90	79.6 Å²	79.6	39%	0.391	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-60.3	134.1	170.8	-175.9	179.1	173.2	83	0	109.9	I247 L248 D295	I247-K276 CarbonylContact O-C 3.59Å; I247-K276 WeakPolarHBondContact O-CA 3.44Å; L248-K276 WeakPolarHBondContact O-CB 3.45Å; K276-D295 VanDerWaalsContact CE-OD1 3.3Å; K276-D295 WeakPolarHBondContact CE-OD1 3.2Å; K276-D295 IonicContact NZ-OD1 3.84Å; K276-D295 PolarHBondContact NZ-OD1 3.47Å
277	V	98.3	Very high	95.5	Very high	34 Å²	34	78 Å²	78	21%	0.206	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-82.7	123.9	171.1	-178.6	0	0	0	0	108.1	G246 I247 C275 W279 L282	G246-V277 WeakPolarHBondContact O-CG2 3.26Å; I247-V277 HydrophobicContact CG2-CB 4.47Å; I247-V277 PolarHBondContact O-N 2.84Å; C275-V277 PolarHBondContact O-N 2.73Å; V277-W279 PolarHBondContact O-N 3.32Å; V277-L282 HydrophobicContact CG1-CD1 4.25Å; V277-L282 HydrophobicContact CG1-CD2 4.15Å; V277-L282 HydrophobicContact CG1-CG 3.98Å
278	P	98.2	Very high	96.1	Very high	67 Å²	67	81.8 Å²	81.8	44%	0.435	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-60.1	135.5	177.1	-25.9	35.9	0	0	0	112.2	N280 R281	P278-N280 VanDerWaalsContact C-N 3.32Å; P278-N280 WeakPolarHBondContact CB-OD1 3.26Å; P278-N280 PolarHBondContact O-N 3.32Å; P278-R281 HydrophobicContact CB-CB 4.48Å; P278-R281 VanDerWaalsContact O-CB 3.31Å; P278-R281 WeakPolarHBondContact O-CB 3.21Å; P278-R281 PolarHBondContact O-N 2.83Å
279	W	98.5	Very high	96.5	Very high	20 Å²	20	85.5 Å²	85.5	8%	0.076	46%	0.462	C	S	.	.	H	α-helix	trans	-61.2	-38.3	-178.1	-62.9	124.6	0	0	0	113.3	I231 I247 L248 V277 R281 L282 F283 L291 L294 D295 L298	I231-W279 HydrophobicContact CD1-CH2 4.31Å; I231-W279 HydrophobicContact CD1-CZ3 3.69Å; I247-W279 HydrophobicContact CG2-CE3 4.28Å; I247-W279 HydrophobicContact CG2-CH2 3.72Å; I247-W279 HydrophobicContact CG2-CZ3 3.47Å; I247-W279 VanDerWaalsContact CG2-CZ3 3.47Å; L248-W279 HydrophobicContact CD2-CH2 3.74Å; L248-W279 HydrophobicContact CD2-CZ2 3.67Å; V277-W279 PolarHBondContact O-N 3.32Å; W279-R281 PolarHBondContact O-N 3.34Å; W279-L282 HydrophobicContact CE3-CD1 3.91Å; W279-L282 HydrophobicContact CZ3-CD1 4.03Å; W279-L282 PolarHBondContact O-N 3.34Å; W279-F283 AromaticContact CE3-CE2 3.95Å; W279-F283 HydrophobicContact CE3-CE2 3.95Å; W279-F283 HydrophobicContact CZ3-CE2 4.44Å; W279-F283 WeakPolarHBondContact O-CD2 3.16Å; W279-F283 PolarHBondContact O-N 3.37Å; W279-L291 HydrophobicContact CB-CB 4.24Å; W279-L291 HydrophobicContact CB-CD1 4.18Å; W279-L291 HydrophobicContact CB-CD2 4.2Å; W279-L291 HydrophobicContact CB-CG 4.44Å; W279-L294 HydrophobicContact CD2-CD2 4.32Å; W279-L294 HydrophobicContact CE3-CD2 4.09Å; W279-L294 HydrophobicContact CZ3-CD2 4.41Å; W279-D295 VanDerWaalsContact NE1-CB 3.32Å; W279-D295 PolarHBondContact NE1-OD1 2.9Å; W279-L298 HydrophobicContact CH2-CB 4.22Å; W279-L298 HydrophobicContact CH2-CD1 3.74Å; W279-L298 HydrophobicContact CZ2-CB 4.18Å; W279-L298 HydrophobicContact CZ2-CD1 4.39Å; W279-L298 HydrophobicContact CZ3-CD1 4.32Å
280	N	97.8	Very high	96.9	Very high	97 Å²	97	80.8 Å²	80.8	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-21.3	176.4	63.9	0.2	0	0	0	113.4	P278 F283 P284 L291	P278-N280 VanDerWaalsContact C-N 3.32Å; P278-N280 WeakPolarHBondContact CB-OD1 3.26Å; P278-N280 PolarHBondContact O-N 3.32Å; N280-F283 CarbonylContact O-C 3.56Å; N280-P284 WeakPolarHBondContact O-CA 3.29Å; N280-L291 HydrophobicContact CB-CD1 4.16Å
281	R	97.8	Very high	97.2	Very high	199 Å²	199	77.1 Å²	77.1	75%	0.751	41%	0.41	S	S	*	.	H	α-helix	trans	-76.3	-33.4	172.9	-174.1	179.1	176.6	179.8	0.1	111.6	P278 W279	P278-R281 HydrophobicContact CB-CB 4.48Å; P278-R281 VanDerWaalsContact O-CB 3.31Å; P278-R281 WeakPolarHBondContact O-CB 3.21Å; P278-R281 PolarHBondContact O-N 2.83Å; W279-R281 PolarHBondContact O-N 3.34Å
282	L	97.7	Very high	97.5	Very high	67 Å²	67	78.8 Å²	78.8	35%	0.351	42%	0.419	S	S	.	.	H	α-helix	trans	-80	-36.5	177	-65	175.4	0	0	0	111.5	I247 V277 W279 P284	I247-L282 HydrophobicContact CD1-CD1 3.97Å; I247-L282 HydrophobicContact CG1-CD1 4.4Å; I247-L282 HydrophobicContact CG2-CD1 3.68Å; V277-L282 HydrophobicContact CG1-CD1 4.25Å; V277-L282 HydrophobicContact CG1-CD2 4.15Å; V277-L282 HydrophobicContact CG1-CG 3.98Å; W279-L282 HydrophobicContact CE3-CD1 3.91Å; W279-L282 HydrophobicContact CZ3-CD1 4.03Å; W279-L282 PolarHBondContact O-N 3.34Å; L282-P284 WeakPolarHBondContact O-CD 3.41Å
283	F	98.3	Very high	97.8	Very high	14 Å²	14	74.2 Å²	74.2	6%	0.061	39%	0.39	C	S	.	.			trans	-129.2	69.4	-174.8	-47.4	-68.1	0	0	0	110.5	A223 L226 I231 W279 N280 N285 A286 L291 L294	A223-F283 HydrophobicContact CB-CE1 4.49Å; A223-F283 HydrophobicContact CB-CE2 4.43Å; A223-F283 HydrophobicContact CB-CZ 3.79Å; L226-F283 HydrophobicContact CB-CD1 3.83Å; L226-F283 HydrophobicContact CB-CE1 4.21Å; L226-F283 HydrophobicContact CB-CG 4.3Å; L226-F283 HydrophobicContact CD1-CD2 4.39Å; L226-F283 HydrophobicContact CD1-CG 4.27Å; I231-F283 HydrophobicContact CD1-CE2 4.44Å; I231-F283 HydrophobicContact CD1-CZ 4.11Å; W279-F283 AromaticContact CE3-CE2 3.95Å; W279-F283 HydrophobicContact CE3-CE2 3.95Å; W279-F283 HydrophobicContact CZ3-CE2 4.44Å; W279-F283 WeakPolarHBondContact O-CD2 3.16Å; W279-F283 PolarHBondContact O-N 3.37Å; N280-F283 CarbonylContact O-C 3.56Å; F283-N285 PolarHBondContact O-N 3.01Å; F283-N285 VanDerWaalsContact O-N 3.16Å; F283-A286 HydrophobicContact CB-CB 3.74Å; F283-A286 WeakPolarHBondContact O-CB 3.34Å; F283-A286 PolarHBondContact O-N 2.87Å; F283-L291 HydrophobicContact CB-CD2 3.92Å; F283-L291 HydrophobicContact CD2-CD2 3.83Å; F283-L291 HydrophobicContact CG-CD2 4.24Å; F283-L294 HydrophobicContact CD2-CD2 4.05Å; F283-L294 HydrophobicContact CE2-CD2 3.6Å; F283-L294 HydrophobicContact CZ-CD2 4.43Å
284	P	97.8	Very high	98.1	Very high	95 Å²	95	67.9 Å²	67.9	62%	0.617	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.4	-172.5	26.1	-35.7	0	0	0	114.7	N280 L282	N280-P284 WeakPolarHBondContact O-CA 3.29Å; L282-P284 WeakPolarHBondContact O-CD 3.41Å
285	N	96.3	Very high	98.2	Very high	163 Å²	163	66.5 Å²	66.5	87%	0.872	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	3	-178.3	-56.7	-34.8	0	0	0	112.9	F283	F283-N285 PolarHBondContact O-N 3.01Å; F283-N285 VanDerWaalsContact O-N 3.16Å
286	A	98.3	Very high	98.3	Very high	21 Å²	21	66.8 Å²	66.8	17%	0.174	34%	0.335	C	S	.	.	S	Bend	trans	-79.5	151	-178	0	0	0	0	0	111.7	L226 F283 L291	L226-A286 HydrophobicContact CD1-CB 4.32Å; L226-A286 HydrophobicContact CD2-CB 3.77Å; F283-A286 HydrophobicContact CB-CB 3.74Å; F283-A286 WeakPolarHBondContact O-CB 3.34Å; F283-A286 PolarHBondContact O-N 2.87Å; A286-L291 HydrophobicContact CB-CD1 4.24Å; A286-L291 HydrophobicContact CB-CD2 3.67Å; A286-L291 HydrophobicContact CB-CG 3.94Å
287	D	98.5	Very high	98.4	Very high	62 Å²	62	62.5 Å²	62.5	33%	0.332	32%	0.316	S	S	.	.			trans	-62	134.5	170.4	-171.1	-62.3	0	0	0	110.5	K289 A290 L291 Y316	D287-K289 VanDerWaalsContact C-N 3.25Å; D287-K289 PolarHBondContact O-N 3.49Å; D287-K289 WeakPolarHBondContact OD1-CA 3.41Å; D287-K289 VanDerWaalsContact OD1-CB 3.23Å; D287-K289 WeakPolarHBondContact OD1-CB 3.28Å; D287-K289 PolarHBondContact OD1-N 3.47Å; D287-A290 HydrophobicContact CB-CB 4.17Å; D287-A290 VanDerWaalsContact O-CB 3.28Å; D287-A290 WeakPolarHBondContact O-CB 3.46Å; D287-A290 PolarHBondContact O-N 3.38Å; D287-L291 PolarHBondContact O-N 3.46Å; D287-L291 VanDerWaalsContact O-N 3.11Å; D287-Y316 HydrophobicContact CB-CE2 4.14Å
288	N	98.6	Very high	98.4	Very high	130 Å²	130	60.9 Å²	60.9	70%	0.695	31%	0.307	S	S	*	.	H	α-helix	trans	-60.3	-34	-179.1	-70.1	-43.1	0	0	0	112.8	A290 L291 D292	N288-A290 VanDerWaalsContact C-N 3.34Å; N288-L291 PolarHBondContact O-N 3.03Å; N288-D292 PolarHBondContact O-N 3.03Å
289	K	98.8	Very high	98.4	Very high	90 Å²	90	59.3 Å²	59.3	39%	0.391	30%	0.296	S	S	.	.	H	α-helix	trans	-67.8	-34.8	175	-59.3	178.4	167.9	-169	0	111.3	D287 L291 D292 L293 H314 P315 Y316 E318	D287-K289 VanDerWaalsContact C-N 3.25Å; D287-K289 PolarHBondContact O-N 3.49Å; D287-K289 WeakPolarHBondContact OD1-CA 3.41Å; D287-K289 VanDerWaalsContact OD1-CB 3.23Å; D287-K289 WeakPolarHBondContact OD1-CB 3.28Å; D287-K289 PolarHBondContact OD1-N 3.47Å; K289-L291 VanDerWaalsContact C-N 3.33Å; K289-D292 PolarHBondContact O-N 3.47Å; K289-L293 PolarHBondContact O-N 3.44Å; K289-L293 VanDerWaalsContact O-N 3.11Å; K289-H314 PolarHBondContact O-CE1 3.22Å; K289-H314 VanDerWaalsContact O-CE1 3.22Å; K289-P315 HydrophobicContact CD-CB 4.25Å; K289-P315 WeakPolarHBondContact CD-O 3.45Å; K289-P315 PolarHBondContact NZ-O 3.39Å; K289-P315 VanDerWaalsContact NZ-O 3.08Å; K289-Y316 HydrophobicContact CB-CD2 3.99Å; K289-Y316 HydrophobicContact CB-CG 4.36Å; K289-E318 IonicContact NZ-OE2 2.97Å
290	A	98.8	Very high	98.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-40.8	173.7	0	0	0	0	0	111	D287 N288 L293 L294 Y316	D287-A290 HydrophobicContact CB-CB 4.17Å; D287-A290 VanDerWaalsContact O-CB 3.28Å; D287-A290 WeakPolarHBondContact O-CB 3.46Å; D287-A290 PolarHBondContact O-N 3.38Å; N288-A290 VanDerWaalsContact C-N 3.34Å; A290-L293 PolarHBondContact O-N 3.44Å; A290-L294 VanDerWaalsContact O-CB 3.31Å; A290-L294 WeakPolarHBondContact O-CB 3.43Å; A290-L294 PolarHBondContact O-N 3.15Å; A290-Y316 HydrophobicContact CB-CD1 4.21Å; A290-Y316 HydrophobicContact CB-CD2 3.87Å; A290-Y316 HydrophobicContact CB-CE1 3.89Å; A290-Y316 HydrophobicContact CB-CE2 3.54Å; A290-Y316 HydrophobicContact CB-CG 4.2Å
291	L	98.9	Very high	98.2	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-69.4	-34.6	178.2	-60.2	-172.5	0	0	0	113	L226 W279 N280 F283 A286 D287 N288 K289 L294 D295	L226-L291 HydrophobicContact CD1-CD2 4Å; W279-L291 HydrophobicContact CB-CB 4.24Å; W279-L291 HydrophobicContact CB-CD1 4.18Å; W279-L291 HydrophobicContact CB-CD2 4.2Å; W279-L291 HydrophobicContact CB-CG 4.44Å; N280-L291 HydrophobicContact CB-CD1 4.16Å; F283-L291 HydrophobicContact CB-CD2 3.92Å; F283-L291 HydrophobicContact CD2-CD2 3.83Å; F283-L291 HydrophobicContact CG-CD2 4.24Å; A286-L291 HydrophobicContact CB-CD1 4.24Å; A286-L291 HydrophobicContact CB-CD2 3.67Å; A286-L291 HydrophobicContact CB-CG 3.94Å; D287-L291 PolarHBondContact O-N 3.46Å; D287-L291 VanDerWaalsContact O-N 3.11Å; N288-L291 PolarHBondContact O-N 3.03Å; K289-L291 VanDerWaalsContact C-N 3.33Å; L291-L294 HydrophobicContact CD2-CD2 4.36Å; L291-L294 PolarHBondContact O-N 2.95Å; L291-D295 PolarHBondContact O-N 2.99Å
292	D	98.9	Very high	98	Very high	68 Å²	68	47 Å²	47	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-48.2	172.5	-166.7	75.1	0	0	0	110.9	N288 K289 L294 D295 R296 H314	N288-D292 PolarHBondContact O-N 3.03Å; K289-D292 PolarHBondContact O-N 3.47Å; D292-L294 VanDerWaalsContact C-N 3.32Å; D292-L294 PolarHBondContact O-N 2.99Å; D292-D295 WeakPolarHBondContact O-CB 3.38Å; D292-D295 PolarHBondContact O-N 2.88Å; D292-R296 WeakPolarHBondContact O-CG 3.21Å; D292-R296 PolarHBondContact O-N 3.27Å; D292-R296 VanDerWaalsContact O-N 3.16Å; D292-R296 IonicContact OD2-CZ 2.95Å; D292-R296 IonicContact OD2-NE 2.81Å; D292-R296 PolarHBondContact OD2-NE 2.68Å; D292-R296 IonicContact OD2-NH2 3.79Å; D292-R296 PolarHBondContact OD2-NH2 3.25Å; D292-R296 VanDerWaalsContact OD2-NH2 3.17Å; D292-H314 IonicContact OD2-CE1 3.73Å; D292-H314 IonicContact OD2-NE2 3.69Å; D292-H314 PolarHBondContact OD2-NE2 3.28Å
293	L	98.9	Very high	97.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-40.8	176.7	-173.7	52.4	0	0	0	111.8	L134 K289 A290 D295 R296 M297 I306 A311 H314 Y316 L317	L134-L293 HydrophobicContact CD2-CD2 3.68Å; K289-L293 PolarHBondContact O-N 3.44Å; K289-L293 VanDerWaalsContact O-N 3.11Å; A290-L293 PolarHBondContact O-N 3.44Å; L293-D295 VanDerWaalsContact C-N 3.33Å; L293-D295 PolarHBondContact O-N 2.97Å; L293-R296 PolarHBondContact O-N 3.3Å; L293-M297 HydrophobicContact CD1-CE 3.88Å; L293-M297 HydrophobicContact CD1-CG 4.44Å; L293-M297 HydrophobicContact CD2-CE 4Å; L293-M297 HydrophobicContact CG-CE 3.76Å; L293-M297 HydrophobicContact CG-SD 4.31Å; L293-M297 WeakPolarHBondContact O-CG 3.39Å; L293-M297 PolarHBondContact O-N 2.81Å; L293-I306 HydrophobicContact CD1-CD1 3.93Å; L293-A311 HydrophobicContact CD1-CB 4.12Å; L293-H314 HydrophobicContact CD1-CB 3.87Å; L293-H314 HydrophobicContact CD2-CB 4.17Å; L293-Y316 HydrophobicContact CD2-CD1 4.16Å; L293-L317 HydrophobicContact CD2-CD1 4.33Å; L293-L317 HydrophobicContact CD2-CG 4.42Å
294	L	98.9	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-41.7	175.7	-178.4	65.5	0	0	0	112	G219 L222 A223 L226 W279 F283 A290 L291 D292 R296 M297 L298	G219-L294 WeakPolarHBondContact O-CD1 3.31Å; L222-L294 HydrophobicContact CB-CD1 4.19Å; L222-L294 HydrophobicContact CD2-CB 3.97Å; L222-L294 HydrophobicContact CD2-CD1 4.1Å; L222-L294 HydrophobicContact CG-CD1 4.16Å; A223-L294 HydrophobicContact CB-CD1 4.06Å; A223-L294 HydrophobicContact CB-CD2 4.3Å; L226-L294 HydrophobicContact CD1-CD2 4.22Å; W279-L294 HydrophobicContact CD2-CD2 4.32Å; W279-L294 HydrophobicContact CE3-CD2 4.09Å; W279-L294 HydrophobicContact CZ3-CD2 4.41Å; F283-L294 HydrophobicContact CD2-CD2 4.05Å; F283-L294 HydrophobicContact CE2-CD2 3.6Å; F283-L294 HydrophobicContact CZ-CD2 4.43Å; A290-L294 VanDerWaalsContact O-CB 3.31Å; A290-L294 WeakPolarHBondContact O-CB 3.43Å; A290-L294 PolarHBondContact O-N 3.15Å; L291-L294 HydrophobicContact CD2-CD2 4.36Å; L291-L294 PolarHBondContact O-N 2.95Å; D292-L294 VanDerWaalsContact C-N 3.32Å; D292-L294 PolarHBondContact O-N 2.99Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-M297 PolarHBondContact O-N 3.48Å; L294-L298 HydrophobicContact CD1-CD1 3.62Å; L294-L298 HydrophobicContact CD1-CG 3.98Å; L294-L298 HydrophobicContact CG-CD1 4.09Å; L294-L298 WeakPolarHBondContact O-CB 3.31Å; L294-L298 PolarHBondContact O-N 3.03Å
295	D	98.9	Very high	97.7	Very high	54 Å²	54	51 Å²	51	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-42.9	177.1	-166.6	59.5	0	0	0	111.9	K276 W279 L291 D292 L293 L298 T299	K276-D295 VanDerWaalsContact CE-OD1 3.3Å; K276-D295 WeakPolarHBondContact CE-OD1 3.2Å; K276-D295 IonicContact NZ-OD1 3.84Å; K276-D295 PolarHBondContact NZ-OD1 3.47Å; W279-D295 VanDerWaalsContact NE1-CB 3.32Å; W279-D295 PolarHBondContact NE1-OD1 2.9Å; L291-D295 PolarHBondContact O-N 2.99Å; D292-D295 WeakPolarHBondContact O-CB 3.38Å; D292-D295 PolarHBondContact O-N 2.88Å; L293-D295 VanDerWaalsContact C-N 3.33Å; L293-D295 PolarHBondContact O-N 2.97Å; D295-L298 CarbonylContact O-C 3.57Å; D295-L298 PolarHBondContact O-N 3.11Å; D295-T299 PolarHBondContact O-N 3.23Å; D295-T299 PolarHBondContact O-OG1 3.27Å
296	R	98.9	Very high	97.8	Very high	119 Å²	119	43.8 Å²	43.8	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-36.7	178.1	-65	175	-173.4	-105	-0.3	112.6	D292 L293 L294 T299 I306	D292-R296 WeakPolarHBondContact O-CG 3.21Å; D292-R296 PolarHBondContact O-N 3.27Å; D292-R296 VanDerWaalsContact O-N 3.16Å; D292-R296 IonicContact OD2-CZ 2.95Å; D292-R296 IonicContact OD2-NE 2.81Å; D292-R296 PolarHBondContact OD2-NE 2.68Å; D292-R296 IonicContact OD2-NH2 3.79Å; D292-R296 PolarHBondContact OD2-NH2 3.25Å; D292-R296 VanDerWaalsContact OD2-NH2 3.17Å; L293-R296 PolarHBondContact O-N 3.3Å; L294-R296 VanDerWaalsContact C-N 3.34Å; R296-T299 PolarHBondContact O-OG1 2.7Å; R296-I306 HydrophobicContact CB-CB 4Å; R296-I306 HydrophobicContact CB-CD1 4.18Å; R296-I306 HydrophobicContact CB-CG2 3.98Å; R296-I306 PolarHBondContact O-N 3.27Å
297	M	98.8	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-73	-41.3	174.8	-69.5	179.6	173.5	0	0	112.6	L134 L138 I215 V218 L222 L293 L294 T299 R305 I306 A311	L134-M297 HydrophobicContact CD1-CE 4.27Å; L138-M297 HydrophobicContact CD1-CE 3.86Å; L138-M297 HydrophobicContact CD2-CE 3.95Å; L138-M297 HydrophobicContact CG-CE 4.4Å; I215-M297 HydrophobicContact CG2-CB 4.09Å; I215-M297 HydrophobicContact CG2-CG 3.92Å; V218-M297 HydrophobicContact CG1-CE 4.07Å; V218-M297 HydrophobicContact CG1-SD 4Å; L222-M297 HydrophobicContact CD2-SD 4.37Å; L293-M297 HydrophobicContact CD1-CE 3.88Å; L293-M297 HydrophobicContact CD1-CG 4.44Å; L293-M297 HydrophobicContact CD2-CE 4Å; L293-M297 HydrophobicContact CG-CE 3.76Å; L293-M297 HydrophobicContact CG-SD 4.31Å; L293-M297 WeakPolarHBondContact O-CG 3.39Å; L293-M297 PolarHBondContact O-N 2.81Å; L294-M297 PolarHBondContact O-N 3.48Å; M297-T299 PolarHBondContact O-N 3.14Å; M297-R305 WeakPolarHBondContact O-CD 3.35Å; M297-R305 VanDerWaalsContact O-CG 3.27Å; M297-R305 WeakPolarHBondContact O-CG 3.41Å; M297-R305 PolarHBondContact O-NE 3.15Å; M297-I306 HydrophobicContact CB-CG2 4.5Å; M297-I306 HydrophobicContact CG-CG2 3.83Å; M297-A311 HydrophobicContact CE-CB 3.89Å
298	L	98.8	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	34.8	179.4	-62.9	-175.6	0	0	0	112.5	W216 I231 F232 L248 W279 L294 D295	W216-L298 HydrophobicContact CD2-CD2 3.88Å; W216-L298 HydrophobicContact CE3-CD2 3.96Å; W216-L298 HydrophobicContact CG-CD2 4.42Å; W216-L298 HydrophobicContact CH2-CD2 4.24Å; W216-L298 HydrophobicContact CZ2-CD2 4.15Å; W216-L298 HydrophobicContact CZ3-CB 4.27Å; W216-L298 HydrophobicContact CZ3-CD2 4.16Å; I231-L298 HydrophobicContact CD1-CD1 3.99Å; F232-L298 HydrophobicContact CE2-CD1 4.13Å; F232-L298 HydrophobicContact CE2-CD2 4.22Å; F232-L298 HydrophobicContact CZ-CD1 4.21Å; L248-L298 VanDerWaalsContact CD1-O 3.28Å; L248-L298 WeakPolarHBondContact CD1-O 3.1Å; L248-L298 WeakPolarHBondContact CD2-O 3.41Å; W279-L298 HydrophobicContact CH2-CB 4.22Å; W279-L298 HydrophobicContact CH2-CD1 3.74Å; W279-L298 HydrophobicContact CZ2-CB 4.18Å; W279-L298 HydrophobicContact CZ2-CD1 4.39Å; W279-L298 HydrophobicContact CZ3-CD1 4.32Å; L294-L298 HydrophobicContact CD1-CD1 3.62Å; L294-L298 HydrophobicContact CD1-CG 3.98Å; L294-L298 HydrophobicContact CG-CD1 4.09Å; L294-L298 WeakPolarHBondContact O-CB 3.31Å; L294-L298 PolarHBondContact O-N 3.03Å; D295-L298 CarbonylContact O-C 3.57Å; D295-L298 PolarHBondContact O-N 3.11Å
299	T	98.5	Very high	97.8	Very high	33 Å²	33	43.3 Å²	43.3	20%	0.202	20%	0.203	C	C	.	.			trans	-74.7	128.3	171.2	-69.7	0	0	0	0	110.1	D295 R296 M297 N301 K304 R305	D295-T299 PolarHBondContact O-N 3.23Å; D295-T299 PolarHBondContact O-OG1 3.27Å; R296-T299 PolarHBondContact O-OG1 2.7Å; M297-T299 PolarHBondContact O-N 3.14Å; T299-N301 PolarHBondContact O-N 3.24Å; T299-K304 HydrophobicContact CG2-CB 3.81Å; T299-R305 PolarHBondContact O-NE 3.45Å; T299-R305 VanDerWaalsContact O-NE 3.07Å; T299-R305 PolarHBondContact O-NH2 3.42Å; T299-R305 VanDerWaalsContact O-NH2 3.09Å
300	F	96.6	Very high	97.8	Very high	23 Å²	23	44.3 Å²	44.3	10%	0.101	21%	0.209	C	C	.	.	S	Bend	trans	-59.9	-47.7	-175.1	178.8	-90.4	0	0	0	112.2	P200 L204 L245 L248 P251 D255 I259 L268 P302 R305	P200-F300 HydrophobicContact CB-CD2 3.81Å; P200-F300 HydrophobicContact CB-CE2 3.62Å; P200-F300 HydrophobicContact CB-CZ 4.4Å; P200-F300 HydrophobicContact CG-CD2 3.84Å; P200-F300 HydrophobicContact CG-CE2 4.15Å; P200-F300 HydrophobicContact CG-CG 4.39Å; L204-F300 HydrophobicContact CD1-CE2 4.38Å; L204-F300 HydrophobicContact CD1-CZ 3.75Å; L245-F300 HydrophobicContact CD2-CD2 4.29Å; L245-F300 HydrophobicContact CD2-CE2 3.9Å; L248-F300 HydrophobicContact CD1-CB 4.12Å; P251-F300 HydrophobicContact CB-CD1 3.96Å; P251-F300 HydrophobicContact CB-CE1 3.73Å; P251-F300 HydrophobicContact CB-CG 4.49Å; P251-F300 HydrophobicContact CB-CZ 4.07Å; P251-F300 HydrophobicContact CG-CD1 4.18Å; P251-F300 HydrophobicContact CG-CD2 4.24Å; P251-F300 HydrophobicContact CG-CE1 3.73Å; P251-F300 HydrophobicContact CG-CE2 3.79Å; P251-F300 HydrophobicContact CG-CG 4.43Å; P251-F300 HydrophobicContact CG-CZ 3.51Å; D255-F300 HydrophobicContact CB-CD1 4.09Å; D255-F300 HydrophobicContact CB-CE1 4.44Å; I259-F300 HydrophobicContact CD1-CE1 4.24Å; I259-F300 HydrophobicContact CD1-CZ 4.36Å; L268-F300 HydrophobicContact CD1-CZ 4.22Å; F300-P302 WeakPolarHBondContact O-CD 3.28Å; F300-R305 PolarHBondContact O-NH2 3.4Å
301	N	94.4	Very high	97.8	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	21%	0.209	C	C	.	.	S	Bend	trans	-78.4	116.8	-179.9	-171.5	-18.6	0	0	0	110.2	D255 C258 T299 H303 K304 R305	D255-N301 HydrophobicContact CB-CB 4.24Å; D255-N301 VanDerWaalsContact OD1-CB 3.29Å; D255-N301 WeakPolarHBondContact OD1-CB 3.3Å; D255-N301 PolarHBondContact OD1-ND2 2.97Å; C258-N301 PolarHBondContact SG-ND2 3.16Å; T299-N301 PolarHBondContact O-N 3.24Å; N301-H303 PolarHBondContact O-N 3.46Å; N301-H303 PolarHBondContact OD1-N 3.2Å; N301-H303 PolarHBondContact OD1-ND1 3.36Å; N301-K304 HydrophobicContact CB-CB 4.34Å; N301-K304 HydrophobicContact CB-CD 4.13Å; N301-K304 HydrophobicContact CB-CG 4.25Å; N301-K304 PolarHBondContact O-N 3.3Å; N301-R305 PolarHBondContact O-N 3.08Å
302	P	94.1	Very high	97.8	Very high	29 Å²	29	43.8 Å²	43.8	19%	0.188	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.7	-176.4	23.2	-33.4	0	0	0	113.6	E201 S212 F300 K304 R305	E201-P302 HydrophobicContact CB-CG 4.3Å; E201-P302 HydrophobicContact CG-CB 4.43Å; E201-P302 HydrophobicContact CG-CG 4.21Å; S212-P302 WeakPolarHBondContact OG-CB 3.42Å; F300-P302 WeakPolarHBondContact O-CD 3.28Å; P302-K304 VanDerWaalsContact C-N 3.26Å; P302-K304 PolarHBondContact O-N 3.16Å; P302-R305 WeakPolarHBondContact O-CB 3.43Å; P302-R305 PolarHBondContact O-N 3.47Å
303	H	92.9	Very high	97.8	Very high	157 Å²	157	42.9 Å²	42.9	73%	0.727	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-74.6	-15.8	179	-50.8	93.1	0	0	0	113.7	N301	N301-H303 PolarHBondContact O-N 3.46Å; N301-H303 PolarHBondContact OD1-N 3.2Å; N301-H303 PolarHBondContact OD1-ND1 3.36Å
304	K	96.9	Very high	97.8	Very high	91 Å²	91	43.5 Å²	43.5	40%	0.396	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-105.4	-2.2	177.6	-62.2	179	179.6	171.4	0	112	E254 D255 T299 N301 P302	E254-K304 WeakPolarHBondContact OE1-CE 3.36Å; E254-K304 IonicContact OE1-NZ 2.83Å; E254-K304 PolarHBondContact OE1-NZ 3.04Å; E254-K304 IonicContact OE2-NZ 3.85Å; E254-K304 PolarHBondContact OE2-NZ 3.26Å; D255-K304 IonicContact OD1-NZ 2.89Å; D255-K304 PolarHBondContact OD1-NZ 3.13Å; T299-K304 HydrophobicContact CG2-CB 3.81Å; N301-K304 HydrophobicContact CB-CB 4.34Å; N301-K304 HydrophobicContact CB-CD 4.13Å; N301-K304 HydrophobicContact CB-CG 4.25Å; N301-K304 PolarHBondContact O-N 3.3Å; P302-K304 VanDerWaalsContact C-N 3.26Å; P302-K304 PolarHBondContact O-N 3.16Å
305	R	98.3	Very high	97.8	Very high	11 Å²	11	46.7 Å²	46.7	4%	0.042	23%	0.232	C	C	.	.	S	Bend	trans	-76.9	134.5	-178.6	-166.5	177.1	-60.8	142.5	6.6	108.4	E201 S212 I215 M297 T299 F300 N301 P302	E201-R305 IonicContact OE1-CZ 3.41Å; E201-R305 IonicContact OE1-NH1 3.72Å; E201-R305 PolarHBondContact OE1-NH1 3.33Å; E201-R305 IonicContact OE1-NH2 2.83Å; E201-R305 PolarHBondContact OE1-NH2 3.45Å; E201-R305 IonicContact OE2-CZ 2.85Å; E201-R305 IonicContact OE2-NH1 3.75Å; E201-R305 IonicContact OE2-NH2 3.14Å; E201-R305 PolarHBondContact OE2-NH2 3.13Å; S212-R305 VanDerWaalsContact C-NH1 3.32Å; S212-R305 VanDerWaalsContact O-CD 3.32Å; S212-R305 WeakPolarHBondContact O-CD 3.39Å; S212-R305 PolarHBondContact O-NH1 2.9Å; I215-R305 HydrophobicContact CB-CG 4.43Å; I215-R305 HydrophobicContact CG2-CG 3.88Å; M297-R305 WeakPolarHBondContact O-CD 3.35Å; M297-R305 VanDerWaalsContact O-CG 3.27Å; M297-R305 WeakPolarHBondContact O-CG 3.41Å; M297-R305 PolarHBondContact O-NE 3.15Å; T299-R305 PolarHBondContact O-NE 3.45Å; T299-R305 VanDerWaalsContact O-NE 3.07Å; T299-R305 PolarHBondContact O-NH2 3.42Å; T299-R305 VanDerWaalsContact O-NH2 3.09Å; F300-R305 PolarHBondContact O-NH2 3.4Å; N301-R305 PolarHBondContact O-N 3.08Å; P302-R305 WeakPolarHBondContact O-CB 3.43Å; P302-R305 PolarHBondContact O-N 3.47Å
306	I	98.8	Very high	97.8	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.067	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-54.3	140.8	-178.7	-166.8	169	0	0	0	111.7	I215 L293 R296 M297 E310 A311	I215-I306 HydrophobicContact CG2-CG2 3.97Å; I215-I306 WeakPolarHBondContact CG2-O 3.45Å; L293-I306 HydrophobicContact CD1-CD1 3.93Å; R296-I306 HydrophobicContact CB-CB 4Å; R296-I306 HydrophobicContact CB-CD1 4.18Å; R296-I306 HydrophobicContact CB-CG2 3.98Å; R296-I306 PolarHBondContact O-N 3.27Å; M297-I306 HydrophobicContact CB-CG2 4.5Å; M297-I306 HydrophobicContact CG-CG2 3.83Å; I306-E310 HydrophobicContact CD1-CB 3.95Å; I306-E310 HydrophobicContact CG1-CB 3.45Å; I306-E310 VanDerWaalsContact CG1-CB 3.45Å; I306-A311 HydrophobicContact CD1-CB 4.08Å; I306-A311 HydrophobicContact CG1-CB 4.31Å; I306-A311 HydrophobicContact CG2-CB 4.4Å
307	E	98.6	Very high	97.8	Very high	125 Å²	125	39 Å²	39	58%	0.584	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-82.6	167.1	173.5	-63.1	-167.6	166.6	0	0	111.7	E309 E310 A311	E307-E309 PolarHBondContact O-N 3.1Å; E307-E310 HydrophobicContact CB-CG 4.33Å; E307-E310 PolarHBondContact N-OE2 3.21Å; E307-E310 PolarHBondContact O-N 2.67Å; E307-A311 WeakPolarHBondContact O-CB 3.31Å; E307-A311 PolarHBondContact O-N 3.21Å
308	V	98.7	Very high	97.8	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-39.9	-173.9	65.3	0	0	0	0	112.3	L138 L141 K142 H145 I215 A311 L312	L138-V308 HydrophobicContact CB-CG2 4.39Å; L138-V308 HydrophobicContact CD2-CG2 4.06Å; L138-V308 WeakPolarHBondContact O-CG2 3.34Å; L141-V308 HydrophobicContact CB-CG2 4.04Å; L141-V308 HydrophobicContact CD2-CG2 4.35Å; L141-V308 HydrophobicContact CG-CG2 4.21Å; K142-V308 HydrophobicContact CB-CG1 4.23Å; K142-V308 HydrophobicContact CB-CG2 4.04Å; H145-V308 HydrophobicContact CB-CG1 4.22Å; I215-V308 HydrophobicContact CD1-CB 3.96Å; V308-A311 PolarHBondContact O-N 3.38Å; V308-L312 PolarHBondContact O-N 2.88Å
309	E	98.4	Very high	97.7	Very high	76 Å²	76	51 Å²	51	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-39.7	176.5	-65.3	88.9	167.8	0	0	111.9	K142 E307 A311 L312 A313	K142-E309 HydrophobicContact CG-CG 4.45Å; E307-E309 PolarHBondContact O-N 3.1Å; E309-A311 VanDerWaalsContact C-N 3.34Å; E309-L312 PolarHBondContact O-N 2.72Å; E309-A313 PolarHBondContact O-N 3.41Å; E309-A313 VanDerWaalsContact O-N 3.1Å
310	E	98.6	Very high	97.7	Very high	111 Å²	111	52.6 Å²	52.6	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-37.4	175.8	-62.8	-178.4	131.5	0	0	111.6	I306 E307 A313 H314	I306-E310 HydrophobicContact CD1-CB 3.95Å; I306-E310 HydrophobicContact CG1-CB 3.45Å; I306-E310 VanDerWaalsContact CG1-CB 3.45Å; E307-E310 HydrophobicContact CB-CG 4.33Å; E307-E310 PolarHBondContact N-OE2 3.21Å; E307-E310 PolarHBondContact O-N 2.67Å; E310-A313 PolarHBondContact O-N 3.06Å; E310-H314 PolarHBondContact O-N 2.98Å
311	A	98.8	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-40	176.3	0	0	0	0	0	112.1	L138 L293 M297 I306 E307 V308 E309 A313 H314 L317	L138-A311 HydrophobicContact CD1-CB 3.94Å; L138-A311 HydrophobicContact CD2-CB 4.06Å; L293-A311 HydrophobicContact CD1-CB 4.12Å; M297-A311 HydrophobicContact CE-CB 3.89Å; I306-A311 HydrophobicContact CD1-CB 4.08Å; I306-A311 HydrophobicContact CG1-CB 4.31Å; I306-A311 HydrophobicContact CG2-CB 4.4Å; E307-A311 WeakPolarHBondContact O-CB 3.31Å; E307-A311 PolarHBondContact O-N 3.21Å; V308-A311 PolarHBondContact O-N 3.38Å; E309-A311 VanDerWaalsContact C-N 3.34Å; A311-A313 VanDerWaalsContact C-N 3.34Å; A311-H314 WeakPolarHBondContact O-CB 3.38Å; A311-H314 PolarHBondContact O-N 2.95Å; A311-L317 WeakPolarHBondContact O-CD1 3.49Å
312	L	98.8	Very high	97.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-40.7	174	-79.3	164.4	0	0	0	111.9	Y135 L138 K142 V308 E309 H314 Y321	Y135-L312 HydrophobicContact CD2-CD2 3.82Å; Y135-L312 HydrophobicContact CE2-CD2 3.98Å; L138-L312 HydrophobicContact CB-CD1 4.49Å; L138-L312 HydrophobicContact CB-CD2 3.66Å; L138-L312 HydrophobicContact CB-CG 3.85Å; K142-L312 HydrophobicContact CB-CD1 3.89Å; K142-L312 HydrophobicContact CD-CD1 3.66Å; K142-L312 HydrophobicContact CG-CD1 4.26Å; V308-L312 PolarHBondContact O-N 2.88Å; E309-L312 PolarHBondContact O-N 2.72Å; L312-H314 PolarHBondContact O-N 2.98Å; L312-Y321 VanDerWaalsContact C-CD2 3.41Å; L312-Y321 HydrophobicContact CB-CD2 3.9Å; L312-Y321 HydrophobicContact CB-CE2 3.96Å; L312-Y321 WeakPolarHBondContact O-CD2 3.02Å
313	A	98.6	Very high	97.9	Very high	49 Å²	49	60.9 Å²	60.9	41%	0.405	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.4	177.1	0	0	0	0	0	114.3	E309 E310 A311 Y321	E309-A313 PolarHBondContact O-N 3.41Å; E309-A313 VanDerWaalsContact O-N 3.1Å; E310-A313 PolarHBondContact O-N 3.06Å; A311-A313 VanDerWaalsContact C-N 3.34Å; A313-Y321 HydrophobicContact CB-CE1 4.08Å; A313-Y321 HydrophobicContact CB-CE2 4.02Å
314	H	98.9	Very high	98	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.065	30%	0.3	C	S	.	.	S	Bend	trans	-69.7	142.8	-176.1	-170.7	-91.3	0	0	0	112.2	K289 D292 L293 E310 A311 L312 Y316 L317	K289-H314 PolarHBondContact O-CE1 3.22Å; K289-H314 VanDerWaalsContact O-CE1 3.22Å; D292-H314 IonicContact OD2-CE1 3.73Å; D292-H314 IonicContact OD2-NE2 3.69Å; D292-H314 PolarHBondContact OD2-NE2 3.28Å; L293-H314 HydrophobicContact CD1-CB 3.87Å; L293-H314 HydrophobicContact CD2-CB 4.17Å; E310-H314 PolarHBondContact O-N 2.98Å; A311-H314 WeakPolarHBondContact O-CB 3.38Å; A311-H314 PolarHBondContact O-N 2.95Å; L312-H314 PolarHBondContact O-N 2.98Å; H314-Y316 WeakPolarHBondContact ND1-CB 3.45Å; H314-Y316 PolarHBondContact ND1-N 3.21Å; H314-Y316 VanDerWaalsContact ND1-N 3.19Å; H314-Y316 PolarHBondContact O-N 3.13Å; H314-L317 PolarHBondContact O-N 3.18Å
315	P	98.8	Very high	98	Very high	66 Å²	66	58.1 Å²	58.1	43%	0.429	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-14.2	-179.1	-29.3	35.9	0	0	0	117	K289 L317	K289-P315 HydrophobicContact CD-CB 4.25Å; K289-P315 WeakPolarHBondContact CD-O 3.45Å; K289-P315 PolarHBondContact NZ-O 3.39Å; K289-P315 VanDerWaalsContact NZ-O 3.08Å; P315-L317 VanDerWaalsContact C-N 3.33Å
316	Y	98.9	Very high	97.9	Very high	11 Å²	11	57.9 Å²	57.9	4%	0.043	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.4	173.9	-176.3	-122.9	0	0	0	112.4	N127 C131 L134 D287 K289 A290 L293 H314	N127-Y316 WeakPolarHBondContact OD1-CE2 3.5Å; N127-Y316 PolarHBondContact OD1-OH 3.35Å; C131-Y316 HydrophobicContact CB-CE1 4.14Å; C131-Y316 HydrophobicContact CB-CE2 4.37Å; C131-Y316 PolarHBondContact N-OH 2.97Å; C131-Y316 PolarHBondContact SG-O 2.8Å; L134-Y316 HydrophobicContact CD2-CD1 3.91Å; L134-Y316 HydrophobicContact CD2-CE1 3.89Å; D287-Y316 HydrophobicContact CB-CE2 4.14Å; K289-Y316 HydrophobicContact CB-CD2 3.99Å; K289-Y316 HydrophobicContact CB-CG 4.36Å; A290-Y316 HydrophobicContact CB-CD1 4.21Å; A290-Y316 HydrophobicContact CB-CD2 3.87Å; A290-Y316 HydrophobicContact CB-CE1 3.89Å; A290-Y316 HydrophobicContact CB-CE2 3.54Å; A290-Y316 HydrophobicContact CB-CG 4.2Å; L293-Y316 HydrophobicContact CD2-CD1 4.16Å; H314-Y316 WeakPolarHBondContact ND1-CB 3.45Å; H314-Y316 PolarHBondContact ND1-N 3.21Å; H314-Y316 VanDerWaalsContact ND1-N 3.19Å; H314-Y316 PolarHBondContact O-N 3.13Å
317	L	98.7	Very high	97.9	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-107.4	7.5	-176.9	-57.9	-179.5	0	0	0	112.8	L134 L138 L293 A311 H314 P315 Q319 Y320 Y321	L134-L317 HydrophobicContact CB-CD2 4.39Å; L134-L317 HydrophobicContact CD2-CD2 4.21Å; L134-L317 HydrophobicContact CG-CD2 4.42Å; L138-L317 HydrophobicContact CD1-CD1 3.48Å; L138-L317 VanDerWaalsContact CD1-CD1 3.48Å; L293-L317 HydrophobicContact CD2-CD1 4.33Å; L293-L317 HydrophobicContact CD2-CG 4.42Å; A311-L317 WeakPolarHBondContact O-CD1 3.49Å; H314-L317 PolarHBondContact O-N 3.18Å; P315-L317 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 2.84Å; L317-Y320 PolarHBondContact O-N 2.88Å; L317-Y321 PolarHBondContact O-N 3.17Å
318	E	98	Very high	97.9	Very high	136 Å²	136	59 Å²	59	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-33.7	-176.1	-177.6	179.1	-166	0	0	113.7	K289 Y320	K289-E318 IonicContact NZ-OE2 2.97Å; E318-Y320 VanDerWaalsContact C-N 3.29Å; E318-Y320 PolarHBondContact O-N 3.47Å
319	Q	97.6	Very high	97.8	Very high	118 Å²	118	59.5 Å²	59.5	55%	0.551	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.8	179.4	67.6	-179.3	-13.3	0	0	114.6	C131 L317	C131-Q319 PolarHBondContact SG-NE2 3.23Å; L317-Q319 PolarHBondContact O-N 2.84Å
320	Y	97.9	Very high	97.6	Very high	67 Å²	67	63.8 Å²	63.8	26%	0.263	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-21.2	-177.6	-61.1	-59.4	0	0	0	113.1	C131 Y132 Y135 L317 E318 D322	C131-Y320 HydrophobicContact CB-CE2 4.33Å; Y132-Y320 HydrophobicContact CD2-CD1 4.18Å; Y132-Y320 HydrophobicContact CD2-CD2 4.48Å; Y132-Y320 AromaticContact CD2-CE1 3.7Å; Y132-Y320 HydrophobicContact CD2-CE1 3.7Å; Y132-Y320 HydrophobicContact CD2-CE2 4.02Å; Y132-Y320 AromaticContact CD2-CZ 3.63Å; Y132-Y320 HydrophobicContact CE2-CE1 4.24Å; Y132-Y320 HydrophobicContact CG-CE2 4.46Å; Y135-Y320 HydrophobicContact CD1-CG 4.05Å; Y135-Y320 VanDerWaalsContact CE2-O 3.31Å; Y135-Y320 WeakPolarHBondContact CE2-O 3.41Å; Y135-Y320 VanDerWaalsContact CG-CB 3.48Å; Y135-Y320 HydrophobicContact CG-CD2 4.22Å; Y135-Y320 HydrophobicContact CG-CG 4.03Å; Y135-Y320 VanDerWaalsContact CZ-O 3.3Å; Y135-Y320 PolarHBondContact OH-O 3.01Å; L317-Y320 PolarHBondContact O-N 2.88Å; E318-Y320 VanDerWaalsContact C-N 3.29Å; E318-Y320 PolarHBondContact O-N 3.47Å; Y320-D322 PolarHBondContact O-N 3.33Å; Y320-D322 VanDerWaalsContact O-N 3.1Å
321	Y	97.3	Very high	97.3	Very high	94 Å²	94	60.7 Å²	60.7	37%	0.369	33%	0.331	S	S	.	.			trans	-60.2	112.7	-177	179.4	-117.6	0	0	0	111.5	L312 A313 L317 P323 E326	L312-Y321 VanDerWaalsContact C-CD2 3.41Å; L312-Y321 HydrophobicContact CB-CD2 3.9Å; L312-Y321 HydrophobicContact CB-CE2 3.96Å; L312-Y321 WeakPolarHBondContact O-CD2 3.02Å; A313-Y321 HydrophobicContact CB-CE1 4.08Å; A313-Y321 HydrophobicContact CB-CE2 4.02Å; L317-Y321 PolarHBondContact O-N 3.17Å; Y321-P323 HydrophobicContact CE1-CG 3.8Å; Y321-P323 HydrophobicContact CE2-CG 3.79Å; Y321-P323 VanDerWaalsContact OH-CG 3.31Å; Y321-P323 WeakPolarHBondContact OH-CG 3.1Å; Y321-E326 WeakPolarHBondContact CD2-OE1 3.47Å
322	D	97.1	Very high	97.1	Very high	68 Å²	68	64.5 Å²	64.5	36%	0.364	36%	0.356	S	S	.	.			trans	-144.4	97.2	174	-177.6	-6.9	0	0	0	109	Y320 S324 D325 E326	Y320-D322 PolarHBondContact O-N 3.33Å; Y320-D322 VanDerWaalsContact O-N 3.1Å; D322-S324 VanDerWaalsContact CG-OG 3.31Å; D322-S324 PolarHBondContact O-N 3.33Å; D322-S324 WeakPolarHBondContact OD1-CB 3.39Å; D322-S324 PolarHBondContact OD1-N 3.48Å; D322-S324 PolarHBondContact OD1-OG 2.87Å; D322-S324 PolarHBondContact OD2-OG 2.88Å; D322-D325 HydrophobicContact CB-CB 4.28Å; D322-D325 CarbonylContact O-C 3.51Å; D322-D325 PolarHBondContact O-N 3.07Å; D322-E326 PolarHBondContact N-OE1 2.81Å; D322-E326 WeakPolarHBondContact O-CG 3.32Å; D322-E326 PolarHBondContact O-N 2.69Å; D322-E326 VanDerWaalsContact O-N 3.17Å
323	P	94.9	Very high	96.6	Very high	69 Å²	69	65.3 Å²	65.3	45%	0.448	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-54.6	-25.1	178.8	-30.2	37.6	0	0	0	114.8	Y321	Y321-P323 HydrophobicContact CE1-CG 3.8Å; Y321-P323 HydrophobicContact CE2-CG 3.79Å; Y321-P323 VanDerWaalsContact OH-CG 3.31Å; Y321-P323 WeakPolarHBondContact OH-CG 3.1Å
324	S	95.6	Very high	95.9	Very high	109 Å²	109	70.9 Å²	70.9	76%	0.762	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-77.7	-26.2	179.7	76.4	0	0	0	0	113	D322	D322-S324 VanDerWaalsContact CG-OG 3.31Å; D322-S324 PolarHBondContact O-N 3.33Å; D322-S324 WeakPolarHBondContact OD1-CB 3.39Å; D322-S324 PolarHBondContact OD1-N 3.48Å; D322-S324 PolarHBondContact OD1-OG 2.87Å; D322-S324 PolarHBondContact OD2-OG 2.88Å
325	D	96.4	Very high	94.9	Very high	82 Å²	82	72.4 Å²	72.4	44%	0.439	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-101.8	16.4	172.6	-171	36.4	0	0	0	112.3	R139 D322 P327	R139-D325 PolarHBondContact NE-O 3.25Å; R139-D325 PolarHBondContact NH2-O 2.95Å; R139-D325 IonicContact NH2-OD1 2.89Å; R139-D325 PolarHBondContact NH2-OD1 3.24Å; R139-D325 IonicContact NH2-OD2 3.88Å; D322-D325 HydrophobicContact CB-CB 4.28Å; D322-D325 CarbonylContact O-C 3.51Å; D322-D325 PolarHBondContact O-N 3.07Å; D325-P327 VanDerWaalsContact C-CD 3.5Å; D325-P327 VanDerWaalsContact O-CD 3.25Å; D325-P327 WeakPolarHBondContact O-CD 3.49Å
326	E	97.7	Very high	93.7	Very high	5 Å²	5	75.9 Å²	75.9	2%	0.023	40%	0.397	C	S	.	.	S	Bend	trans	-117.8	76.4	176.6	-71.9	167.9	-169.3	0	0	110	Y135 R139 K142 Y321 D322	Y135-E326 HydrophobicContact CE2-CG 4.5Å; R139-E326 HydrophobicContact CG-CG 4.2Å; K142-E326 HydrophobicContact CD-CB 4.01Å; K142-E326 WeakPolarHBondContact CE-O 3.45Å; K142-E326 PolarHBondContact NZ-O 3.13Å; K142-E326 IonicContact NZ-OE2 2.82Å; K142-E326 PolarHBondContact NZ-OE2 3.02Å; Y321-E326 WeakPolarHBondContact CD2-OE1 3.47Å; D322-E326 PolarHBondContact N-OE1 2.81Å; D322-E326 WeakPolarHBondContact O-CG 3.32Å; D322-E326 PolarHBondContact O-N 2.69Å; D322-E326 VanDerWaalsContact O-N 3.17Å
327	P	97.9	Very high	92.6	Very high	57 Å²	57	80 Å²	80	37%	0.37	42%	0.417	S	S	.	.			trans	-67	154.3	-171	28.3	-35.8	0	0	0	112.5	D325	D325-P327 VanDerWaalsContact C-CD 3.5Å; D325-P327 VanDerWaalsContact O-CD 3.25Å; D325-P327 WeakPolarHBondContact O-CD 3.49Å
328	I	98.3	Very high	91.5	Very high	106 Å²	106	86.9 Å²	86.9	54%	0.544	45%	0.449	S	S	.	.			trans	-109.4	161.7	171.6	58.8	169.6	0	0	0	110.1	K142 S146	K142-I328 HydrophobicContact CG-CG2 4.48Å; S146-I328 WeakPolarHBondContact OG-CA 3.12Å; S146-I328 WeakPolarHBondContact OG-CB 3.49Å
329	A	96.9	Very high	90.6	Very high	12 Å²	12	80.9 Å²	80.9	10%	0.099	42%	0.422	C	S	.	.			trans	-66.2	142.7	171.8	0	0	0	0	0	110.7	Y143 S146 A147 A331	Y143-A329 HydrophobicContact CE1-CB 4.17Å; Y143-A329 HydrophobicContact CE2-CB 4.24Å; S146-A329 PolarHBondContact OG-N 3.12Å; A147-A329 HydrophobicContact CB-CB 3.62Å; A329-A331 PolarHBondContact O-N 3.32Å
330	E	94.1	Very high	89.6	Confident	165 Å²	165	77.6 Å²	77.6	77%	0.771	41%	0.408	S	S	*	.	S	Bend	trans	-59.5	-32.3	-178.9	-61.8	171.2	158.7	0	0	113.3	R81	R81-E330 IonicContact CZ-OE2 2.85Å; R81-E330 IonicContact NH1-OE2 3.72Å; R81-E330 PolarHBondContact NH1-OE2 3.47Å; R81-E330 IonicContact NH2-OE2 2.84Å; R81-E330 PolarHBondContact NH2-OE2 2.97Å
331	A	93.2	Very high	88.9	Confident	46 Å²	46	81 Å²	81	38%	0.38	43%	0.431	S	S	.	.	S	Bend	trans	-152.3	152.6	179.6	0	0	0	0	0	110.5	A329	A329-A331 PolarHBondContact O-N 3.32Å
332	P	93.1	Very high	88.4	Confident	80 Å²	80	78.2 Å²	78.2	52%	0.519	42%	0.422	S	S	.	.			trans	-56.5	139.4	169.6	-24.1	34.3	0	0	0	111.8	N148	N148-P332 HydrophobicContact CB-CB 4.13Å
333	F	89.6	Confident	88.3	Confident	18 Å²	18	78 Å²	78	8%	0.079	43%	0.425	C	S	.	.			trans	-71.7	137.1	173.6	-165.9	-86.9	0	0	0	109.9	K77 I78 R81 A147 V149 V177 F335	K77-F333 HydrophobicContact CB-CZ 4.03Å; K77-F333 WeakPolarHBondContact O-CE2 3.4Å; I78-F333 HydrophobicContact CG1-CE1 4.15Å; I78-F333 HydrophobicContact CG1-CE2 4.15Å; I78-F333 HydrophobicContact CG1-CZ 3.88Å; R81-F333 HydrophobicContact CB-CD2 4.21Å; R81-F333 HydrophobicContact CB-CE2 3.99Å; R81-F333 HydrophobicContact CG-CD2 4.15Å; R81-F333 HydrophobicContact CG-CE2 4.35Å; A147-F333 HydrophobicContact CB-CB 4.44Å; A147-F333 WeakPolarHBondContact O-CB 3.33Å; A147-F333 PolarHBondContact O-N 3.32Å; V149-F333 HydrophobicContact CG2-CB 3.51Å; V149-F333 HydrophobicContact CG2-CD1 4.34Å; V149-F333 HydrophobicContact CG2-CG 3.97Å; V177-F333 HydrophobicContact CG2-CD1 3.96Å; F333-F335 HydrophobicContact CD1-CD2 4.3Å; F333-F335 HydrophobicContact CD1-CE2 4.12Å; F333-F335 HydrophobicContact CD1-CZ 4.41Å; F333-F335 AromaticContact CE1-CD1 3.97Å; F333-F335 HydrophobicContact CE1-CD1 3.97Å; F333-F335 AromaticContact CE1-CD2 3.89Å; F333-F335 HydrophobicContact CE1-CD2 3.89Å; F333-F335 AromaticContact CE1-CE1 3.71Å; F333-F335 HydrophobicContact CE1-CE1 3.71Å; F333-F335 AromaticContact CE1-CE2 3.62Å; F333-F335 HydrophobicContact CE1-CE2 3.62Å; F333-F335 HydrophobicContact CE1-CG 4.05Å; F333-F335 AromaticContact CE1-CZ 3.52Å; F333-F335 HydrophobicContact CE1-CZ 3.52Å; F333-F335 HydrophobicContact CZ-CE1 4.17Å; F333-F335 HydrophobicContact CZ-CZ 4.22Å
334	K	84.3	Confident	88.3	Confident	165 Å²	165	77.7 Å²	77.7	72%	0.717	42%	0.416	S	S	*	.			trans	-131.8	139.4	173.7	-63.5	-175.2	-179.2	-178.2	0	108.4
335	F	75.9	Confident	88.3	Confident	46 Å²	46	77.6 Å²	77.6	20%	0.202	40%	0.403	C	S	.	.			trans	-87.8	133.3	162	-72.4	-79	0	0	0	107.9	R74 K77 I78 V177 F333 M337 L339	R74-F335 HydrophobicContact CB-CZ 4.32Å; R74-F335 HydrophobicContact CG-CE1 4.11Å; R74-F335 HydrophobicContact CG-CZ 3.79Å; K77-F335 HydrophobicContact CB-CE1 4.48Å; K77-F335 HydrophobicContact CD-CD1 4.4Å; K77-F335 HydrophobicContact CD-CE1 4.3Å; I78-F335 HydrophobicContact CD1-CZ 4.38Å; I78-F335 HydrophobicContact CG1-CZ 4.41Å; V177-F335 HydrophobicContact CG2-CD2 3.69Å; V177-F335 HydrophobicContact CG2-CE2 3.92Å; F333-F335 HydrophobicContact CD1-CD2 4.3Å; F333-F335 HydrophobicContact CD1-CE2 4.12Å; F333-F335 HydrophobicContact CD1-CZ 4.41Å; F333-F335 AromaticContact CE1-CD1 3.97Å; F333-F335 HydrophobicContact CE1-CD1 3.97Å; F333-F335 AromaticContact CE1-CD2 3.89Å; F333-F335 HydrophobicContact CE1-CD2 3.89Å; F333-F335 AromaticContact CE1-CE1 3.71Å; F333-F335 HydrophobicContact CE1-CE1 3.71Å; F333-F335 AromaticContact CE1-CE2 3.62Å; F333-F335 HydrophobicContact CE1-CE2 3.62Å; F333-F335 HydrophobicContact CE1-CG 4.05Å; F333-F335 AromaticContact CE1-CZ 3.52Å; F333-F335 HydrophobicContact CE1-CZ 3.52Å; F333-F335 HydrophobicContact CZ-CE1 4.17Å; F333-F335 HydrophobicContact CZ-CZ 4.22Å; F335-M337 WeakPolarHBondContact CB-O 3.31Å; F335-M337 PolarHBondContact O-N 2.94Å; F335-L339 HydrophobicContact CD1-CD1 3.83Å; F335-L339 HydrophobicContact CD1-CG 4.33Å; F335-L339 HydrophobicContact CE1-CD1 3.72Å; F335-L339 HydrophobicContact CZ-CD1 4.41Å
336	D	74.4	Confident	88.3	Confident	140 Å²	140	76 Å²	76	75%	0.749	40%	0.397	S	S	*	.	S	Bend	trans	-65.4	-20.9	177.8	-54.4	-54.6	0	0	0	112.1	K77	K77-D336 IonicContact NZ-OD2 3.27Å
337	M	75.3	Confident	88.2	Confident	96 Å²	96	75.7 Å²	75.7	47%	0.473	40%	0.395	S	S	.	.	S	Bend	trans	-151.8	155.6	179.3	57.6	-177.6	59.9	0	0	111.7	F335 L339 L342 L350	F335-M337 WeakPolarHBondContact CB-O 3.31Å; F335-M337 PolarHBondContact O-N 2.94Å; M337-L339 HydrophobicContact CG-CD2 4.34Å; M337-L339 PolarHBondContact O-N 3.41Å; M337-L342 HydrophobicContact CG-CD1 4.44Å; M337-L342 HydrophobicContact SD-CD1 3.88Å; M337-L350 HydrophobicContact SD-CD1 4.09Å
338	E	76.4	Confident	88.2	Confident	145 Å²	145	75 Å²	75	68%	0.678	39%	0.386	S	S	*	.			trans	-71.4	122.3	173.7	-171.5	164.9	-161.4	0	0	110.4	D340	E338-D340 HydrophobicContact CG-CB 4.41Å
339	L	77.9	Confident	88.2	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.052	38%	0.383	C	S	.	.			trans	-86.2	-15	-175.6	-59.9	-179.6	0	0	0	113.4	Q70 L73 R74 F335 M337 D341 L342 L347 L350	Q70-L339 PolarHBondContact NE2-O 3.4Å; L73-L339 HydrophobicContact CD2-CD1 4.16Å; L73-L339 HydrophobicContact CD2-CD2 3.79Å; L73-L339 HydrophobicContact CG-CD1 4.43Å; R74-L339 HydrophobicContact CG-CD1 3.63Å; F335-L339 HydrophobicContact CD1-CD1 3.83Å; F335-L339 HydrophobicContact CD1-CG 4.33Å; F335-L339 HydrophobicContact CE1-CD1 3.72Å; F335-L339 HydrophobicContact CZ-CD1 4.41Å; M337-L339 HydrophobicContact CG-CD2 4.34Å; M337-L339 PolarHBondContact O-N 3.41Å; L339-D341 VanDerWaalsContact C-N 3.33Å; L339-D341 PolarHBondContact O-N 3.37Å; L339-L342 HydrophobicContact CD2-CD1 3.89Å; L339-L342 PolarHBondContact O-N 3.1Å; L339-L347 HydrophobicContact CD2-CD2 4.33Å; L339-L350 HydrophobicContact CD2-CD1 4.42Å
340	D	77	Confident	88.2	Confident	49 Å²	49	75.7 Å²	75.7	26%	0.262	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-27	-163	-75.4	-0.3	0	0	0	112.6	Q70 R74 R176 E338	Q70-D340 VanDerWaalsContact NE2-C 3.33Å; Q70-D340 PolarHBondContact NE2-O 3.4Å; R74-D340 IonicContact CZ-OD1 2.67Å; R74-D340 IonicContact NH2-OD1 2.68Å; R74-D340 PolarHBondContact NH2-OD1 2.92Å; R176-D340 IonicContact CZ-OD1 3.71Å; R176-D340 IonicContact NE-OD1 3.05Å; R176-D340 IonicContact NE-OD2 3.75Å; R176-D340 IonicContact NH2-OD1 2.69Å; R176-D340 PolarHBondContact NH2-OD1 3.45Å; R176-D340 IonicContact NH2-OD2 3.01Å; R176-D340 PolarHBondContact NH2-OD2 2.72Å; E338-D340 HydrophobicContact CG-CB 4.41Å
341	D	82.9	Confident	88.4	Confident	139 Å²	139	67.9 Å²	67.9	74%	0.743	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.3	179.6	-65.9	-37.7	0	0	0	114.5	L339	L339-D341 VanDerWaalsContact C-N 3.33Å; L339-D341 PolarHBondContact O-N 3.37Å
342	L	88.2	Confident	88.6	Confident	35 Å²	35	68 Å²	68	18%	0.183	34%	0.342	C	S	.	.			trans	-74.7	136	-177.2	-65.9	-179.6	0	0	0	112.4	Q66 M337 L339 T346 L347 L350	Q66-L342 WeakPolarHBondContact CG-O 3.45Å; Q66-L342 PolarHBondContact NE2-O 3.4Å; M337-L342 HydrophobicContact CG-CD1 4.44Å; M337-L342 HydrophobicContact SD-CD1 3.88Å; L339-L342 HydrophobicContact CD2-CD1 3.89Å; L339-L342 PolarHBondContact O-N 3.1Å; L342-T346 HydrophobicContact CD2-CG2 4.48Å; L342-L347 HydrophobicContact CB-CD1 4.44Å; L342-L347 HydrophobicContact CB-CD2 4.02Å; L342-L347 HydrophobicContact CB-CG 3.96Å; L342-L347 HydrophobicContact CD1-CD2 4.15Å; L342-L347 WeakPolarHBondContact O-CD1 3.41Å; L342-L350 HydrophobicContact CD1-CD1 3.9Å
343	P	94.4	Very high	88.7	Confident	65 Å²	65	70.1 Å²	70.1	42%	0.422	35%	0.345	S	S	.	.			trans	-59.2	154.2	172.5	-23.1	33.5	0	0	0	112.8	E345 T346 L347	P343-E345 PolarHBondContact O-N 3.42Å; P343-T346 PolarHBondContact O-N 3.49Å; P343-L347 WeakPolarHBondContact O-CG 3.45Å; P343-L347 PolarHBondContact O-N 2.94Å
344	K	94.8	Very high	89	Confident	62 Å²	62	71.8 Å²	71.8	27%	0.27	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-29.8	-178.5	67.2	178.7	-176.3	169.9	0	112.9	E64 Q66 K348	E64-K344 PolarHBondContact O-NZ 2.89Å; Q66-K344 HydrophobicContact CB-CB 4.28Å; K344-K348 WeakPolarHBondContact O-CB 3.23Å; K344-K348 PolarHBondContact O-N 3.31Å
345	E	96.2	Very high	89.6	Confident	106 Å²	106	63.9 Å²	63.9	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-48.7	177	-65	71.5	-157.8	0	0	110.6	P343 L347 K348 E349	P343-E345 PolarHBondContact O-N 3.42Å; E345-L347 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.37Å; E345-K348 VanDerWaalsContact O-CB 3.31Å; E345-K348 WeakPolarHBondContact O-CB 3.49Å; E345-K348 PolarHBondContact O-N 3.16Å; E345-K348 VanDerWaalsContact O-N 3.09Å; E345-E349 PolarHBondContact O-N 2.82Å
346	T	96.2	Very high	90.5	Very high	48 Å²	48	63 Å²	63	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-41.3	174.5	-52.5	0	0	0	0	111.4	L342 P343 K348 E349 L350	L342-T346 HydrophobicContact CD2-CG2 4.48Å; P343-T346 PolarHBondContact O-N 3.49Å; T346-K348 VanDerWaalsContact C-N 3.26Å; T346-K348 PolarHBondContact O-N 3.04Å; T346-E349 WeakPolarHBondContact O-CB 3.42Å; T346-E349 PolarHBondContact O-N 3.38Å; T346-L350 WeakPolarHBondContact O-CG 3.16Å; T346-L350 PolarHBondContact O-N 2.95Å
347	L	96.3	Very high	91.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-32.9	175.3	-67.1	164	0	0	0	112.1	Q66 C69 Q70 L73 L339 L342 P343 E345 L350 I351	Q66-L347 HydrophobicContact CG-CD1 3.95Å; C69-L347 HydrophobicContact CB-CB 3.6Å; C69-L347 HydrophobicContact CB-CD1 3.83Å; C69-L347 HydrophobicContact CB-CG 4.35Å; Q70-L347 HydrophobicContact CB-CD1 4.48Å; Q70-L347 HydrophobicContact CG-CD1 3.52Å; Q70-L347 HydrophobicContact CG-CD2 4.22Å; L73-L347 HydrophobicContact CD2-CD2 3.83Å; L339-L347 HydrophobicContact CD2-CD2 4.33Å; L342-L347 HydrophobicContact CB-CD1 4.44Å; L342-L347 HydrophobicContact CB-CD2 4.02Å; L342-L347 HydrophobicContact CB-CG 3.96Å; L342-L347 HydrophobicContact CD1-CD2 4.15Å; L342-L347 WeakPolarHBondContact O-CD1 3.41Å; P343-L347 WeakPolarHBondContact O-CG 3.45Å; P343-L347 PolarHBondContact O-N 2.94Å; E345-L347 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.37Å; L347-L350 PolarHBondContact O-N 3.06Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.21Å; L347-I351 PolarHBondContact O-N 3.44Å
348	K	97.8	Very high	92.4	Very high	42 Å²	42	57 Å²	57	18%	0.183	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-40.7	174.4	-176.8	177.3	-168.3	-170.6	0	111.5	F63 I99 M102 K344 E345 T346 I351 F352	F63-K348 HydrophobicContact CB-CD 4.33Å; F63-K348 HydrophobicContact CD1-CB 3.78Å; F63-K348 HydrophobicContact CD1-CD 3.85Å; F63-K348 HydrophobicContact CD1-CG 3.53Å; F63-K348 HydrophobicContact CE1-CB 4.04Å; F63-K348 HydrophobicContact CE1-CD 4.31Å; F63-K348 HydrophobicContact CE1-CG 3.61Å; F63-K348 HydrophobicContact CG-CD 3.98Å; F63-K348 HydrophobicContact CG-CG 4.17Å; F63-K348 HydrophobicContact CZ-CG 4.31Å; I99-K348 HydrophobicContact CD1-CG 4.31Å; I99-K348 HydrophobicContact CG1-CD 4.23Å; I99-K348 HydrophobicContact CG1-CG 4.1Å; I99-K348 WeakPolarHBondContact O-CE 3.43Å; I99-K348 PolarHBondContact O-NZ 3.2Å; M102-K348 HydrophobicContact CE-CD 4.43Å; M102-K348 HydrophobicContact CE-CG 3.62Å; M102-K348 WeakPolarHBondContact O-CE 3.37Å; M102-K348 PolarHBondContact O-NZ 3.48Å; K344-K348 WeakPolarHBondContact O-CB 3.23Å; K344-K348 PolarHBondContact O-N 3.31Å; E345-K348 VanDerWaalsContact O-CB 3.31Å; E345-K348 WeakPolarHBondContact O-CB 3.49Å; E345-K348 PolarHBondContact O-N 3.16Å; E345-K348 VanDerWaalsContact O-N 3.09Å; T346-K348 VanDerWaalsContact C-N 3.26Å; T346-K348 PolarHBondContact O-N 3.04Å; K348-I351 PolarHBondContact O-N 3.21Å; K348-F352 WeakPolarHBondContact O-CB 3.5Å; K348-F352 PolarHBondContact O-N 2.96Å
349	E	97.3	Very high	93.1	Very high	100 Å²	100	51.8 Å²	51.8	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-49.9	173.6	-68.6	167	179	0	0	110.8	I99 E345 T346 I351 F352 E353	I99-E349 HydrophobicContact CD1-CB 4.16Å; I99-E349 HydrophobicContact CD1-CG 3.45Å; I99-E349 VanDerWaalsContact CD1-CG 3.45Å; E345-E349 PolarHBondContact O-N 2.82Å; T346-E349 WeakPolarHBondContact O-CB 3.42Å; T346-E349 PolarHBondContact O-N 3.38Å; E349-I351 VanDerWaalsContact C-N 3.34Å; E349-I351 PolarHBondContact O-N 2.92Å; E349-F352 WeakPolarHBondContact O-CA 3.31Å; E349-F352 WeakPolarHBondContact O-CB 3.4Å; E349-F352 PolarHBondContact O-N 3.44Å; E349-E353 WeakPolarHBondContact O-CG 3.32Å; E349-E353 PolarHBondContact O-N 2.92Å
350	L	96.9	Very high	93.4	Very high	33 Å²	33	57.3 Å²	57.3	17%	0.173	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-40.8	177.4	-66.1	173.7	0	0	0	112.6	L73 M337 L339 L342 T346 L347 F352 E353 E354	L73-L350 HydrophobicContact CD1-CB 4.08Å; L73-L350 HydrophobicContact CD2-CB 3.71Å; L73-L350 HydrophobicContact CD2-CD1 3.82Å; L73-L350 HydrophobicContact CD2-CG 4.44Å; M337-L350 HydrophobicContact SD-CD1 4.09Å; L339-L350 HydrophobicContact CD2-CD1 4.42Å; L342-L350 HydrophobicContact CD1-CD1 3.9Å; T346-L350 WeakPolarHBondContact O-CG 3.16Å; T346-L350 PolarHBondContact O-N 2.95Å; L347-L350 PolarHBondContact O-N 3.06Å; L350-F352 VanDerWaalsContact C-N 3.32Å; L350-F352 PolarHBondContact O-N 3.45Å; L350-E353 PolarHBondContact O-N 3.27Å; L350-E354 WeakPolarHBondContact O-CB 3.28Å; L350-E354 VanDerWaalsContact O-CG 3.29Å; L350-E354 WeakPolarHBondContact O-CG 3.5Å; L350-E354 PolarHBondContact O-N 3.38Å
351	I	97.4	Very high	93.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-40.1	173.8	-69.7	164.8	0	0	0	110.7	F63 C69 T72 L73 I76 V105 L347 K348 E349 E353 T355	F63-I351 HydrophobicContact CE1-CB 4.49Å; F63-I351 HydrophobicContact CE1-CD1 3.89Å; F63-I351 HydrophobicContact CE1-CG2 4.36Å; F63-I351 HydrophobicContact CZ-CG2 4.32Å; C69-I351 HydrophobicContact CB-CD1 4.34Å; T72-I351 HydrophobicContact CG2-CD1 4.05Å; L73-I351 HydrophobicContact CB-CD1 4.31Å; L73-I351 HydrophobicContact CB-CG1 3.86Å; L73-I351 HydrophobicContact CD1-CG1 3.95Å; L73-I351 HydrophobicContact CG-CG1 4.42Å; I76-I351 HydrophobicContact CD1-CG2 4.31Å; V105-I351 HydrophobicContact CG2-CG2 4.05Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.21Å; L347-I351 PolarHBondContact O-N 3.44Å; K348-I351 PolarHBondContact O-N 3.21Å; E349-I351 VanDerWaalsContact C-N 3.34Å; E349-I351 PolarHBondContact O-N 2.92Å; I351-E353 VanDerWaalsContact C-N 3.34Å; I351-E353 PolarHBondContact O-N 3.12Å; I351-T355 HydrophobicContact CG2-CG2 4.39Å; I351-T355 WeakPolarHBondContact O-CB 3.48Å; I351-T355 WeakPolarHBondContact O-CG2 3.36Å; I351-T355 PolarHBondContact O-N 2.99Å; I351-T355 PolarHBondContact O-OG1 3.43Å
352	F	97.6	Very high	92.7	Very high	50 Å²	50	58.4 Å²	58.4	22%	0.219	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-40.8	178.6	-173.6	-97.2	0	0	0	112	R95 P97 I99 M102 K348 E349 L350 T355 A356	R95-F352 VanDerWaalsContact CZ-CE2 3.48Å; R95-F352 PolarHBondContact NH2-O 2.89Å; P97-F352 WeakPolarHBondContact O-CZ 3.42Å; I99-F352 HydrophobicContact CB-CD2 4.11Å; I99-F352 HydrophobicContact CB-CE2 4.39Å; I99-F352 HydrophobicContact CB-CG 4.2Å; I99-F352 HydrophobicContact CD1-CB 4.43Å; I99-F352 HydrophobicContact CG1-CB 4.43Å; I99-F352 HydrophobicContact CG1-CG 4.48Å; M102-F352 HydrophobicContact CE-CB 3.79Å; M102-F352 HydrophobicContact CE-CD2 4.01Å; M102-F352 HydrophobicContact CE-CG 4.4Å; M102-F352 HydrophobicContact SD-CB 4.48Å; M102-F352 HydrophobicContact SD-CD2 3.94Å; K348-F352 WeakPolarHBondContact O-CB 3.5Å; K348-F352 PolarHBondContact O-N 2.96Å; E349-F352 WeakPolarHBondContact O-CA 3.31Å; E349-F352 WeakPolarHBondContact O-CB 3.4Å; E349-F352 PolarHBondContact O-N 3.44Å; L350-F352 VanDerWaalsContact C-N 3.32Å; L350-F352 PolarHBondContact O-N 3.45Å; F352-T355 PolarHBondContact O-OG1 3.26Å; F352-T355 VanDerWaalsContact O-OG1 3.11Å; F352-A356 PolarHBondContact O-N 3.23Å
353	E	96.3	Very high	91	Very high	124 Å²	124	64.6 Å²	64.6	58%	0.579	34%	0.337	S	S	*	.	H	α-helix	trans	-65.8	-51.7	176.5	-70.5	175.6	178.4	0	0	112.2	E349 L350 I351 T355 A356	E349-E353 WeakPolarHBondContact O-CG 3.32Å; E349-E353 PolarHBondContact O-N 2.92Å; L350-E353 PolarHBondContact O-N 3.27Å; I351-E353 VanDerWaalsContact C-N 3.34Å; I351-E353 PolarHBondContact O-N 3.12Å; E353-T355 PolarHBondContact O-N 2.97Å; E353-T355 VanDerWaalsContact O-N 3.14Å; E353-A356 WeakPolarHBondContact O-CB 3.48Å; E353-A356 PolarHBondContact O-N 3.36Å
354	E	95.7	Very high	88.2	Confident	52 Å²	52	70.2 Å²	70.2	24%	0.243	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-29	-180	-73.1	-65.6	159.2	0	0	113.1	L73 I76 K77 L350	L73-E354 HydrophobicContact CD1-CG 3.9Å; I76-E354 HydrophobicContact CG2-CB 4.18Å; K77-E354 HydrophobicContact CD-CG 4.34Å; K77-E354 HydrophobicContact CG-CG 3.93Å; K77-E354 IonicContact NZ-OE1 3.6Å; K77-E354 PolarHBondContact NZ-OE1 2.8Å; L350-E354 WeakPolarHBondContact O-CB 3.28Å; L350-E354 VanDerWaalsContact O-CG 3.29Å; L350-E354 WeakPolarHBondContact O-CG 3.5Å; L350-E354 PolarHBondContact O-N 3.38Å
355	T	96.9	Very high	87.9	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.3	-179.4	60.1	0	0	0	0	113.6	I76 I93 R95 I351 F352 E353 Q357 F358	I76-T355 HydrophobicContact CD1-CG2 4.1Å; I93-T355 HydrophobicContact CB-CG2 4.33Å; I93-T355 HydrophobicContact CD1-CG2 3.82Å; I93-T355 HydrophobicContact CG2-CG2 3.66Å; R95-T355 WeakPolarHBondContact CD-OG1 3.45Å; R95-T355 PolarHBondContact NE-OG1 3.41Å; I351-T355 HydrophobicContact CG2-CG2 4.39Å; I351-T355 WeakPolarHBondContact O-CB 3.48Å; I351-T355 WeakPolarHBondContact O-CG2 3.36Å; I351-T355 PolarHBondContact O-N 2.99Å; I351-T355 PolarHBondContact O-OG1 3.43Å; F352-T355 PolarHBondContact O-OG1 3.26Å; F352-T355 VanDerWaalsContact O-OG1 3.11Å; E353-T355 PolarHBondContact O-N 2.97Å; E353-T355 VanDerWaalsContact O-N 3.14Å; T355-Q357 VanDerWaalsContact C-N 3.3Å; T355-Q357 PolarHBondContact O-N 3.23Å; T355-F358 PolarHBondContact O-N 3.47Å
356	A	95.7	Very high	87.4	Confident	26 Å²	26	68.7 Å²	68.7	22%	0.215	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-62.4	-35.2	-177.4	0	0	0	0	0	113.1	F352 E353 F358 Q359	F352-A356 PolarHBondContact O-N 3.23Å; E353-A356 WeakPolarHBondContact O-CB 3.48Å; E353-A356 PolarHBondContact O-N 3.36Å; A356-F358 PolarHBondContact O-N 2.66Å; A356-F358 VanDerWaalsContact O-N 3.08Å; A356-Q359 WeakPolarHBondContact O-CB 3.45Å; A356-Q359 PolarHBondContact O-N 3.09Å
357	Q	93.9	Very high	86.9	Confident	84 Å²	84	69.9 Å²	69.9	39%	0.393	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63.3	-16.1	-179.7	66.4	-178.9	-36.1	0	0	114.8	T355 F362	T355-Q357 VanDerWaalsContact C-N 3.3Å; T355-Q357 PolarHBondContact O-N 3.23Å; Q357-F362 VanDerWaalsContact CA-CD1 3.49Å; Q357-F362 HydrophobicContact CB-CD1 3.93Å; Q357-F362 HydrophobicContact CB-CE1 3.92Å
358	F	94.3	Very high	86.4	Confident	28 Å²	28	74 Å²	74	12%	0.123	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-92.4	-7.1	177.3	-64.3	-80.4	0	0	0	113.1	L80 I90 D92 I93 T355 A356	L80-F358 HydrophobicContact CD1-CE2 4.25Å; L80-F358 HydrophobicContact CD2-CE2 3.6Å; L80-F358 HydrophobicContact CD2-CZ 3.42Å; L80-F358 VanDerWaalsContact CD2-CZ 3.42Å; I90-F358 HydrophobicContact CG2-CZ 4.36Å; D92-F358 WeakPolarHBondContact OD1-CD1 3.5Å; I93-F358 HydrophobicContact CB-CB 4.24Å; I93-F358 HydrophobicContact CB-CD2 3.9Å; I93-F358 HydrophobicContact CB-CE2 4.5Å; I93-F358 HydrophobicContact CB-CG 4.02Å; I93-F358 HydrophobicContact CD1-CD2 3.9Å; I93-F358 HydrophobicContact CD1-CE2 3.74Å; I93-F358 HydrophobicContact CD1-CZ 4.48Å; I93-F358 HydrophobicContact CG1-CD2 3.88Å; I93-F358 HydrophobicContact CG1-CE2 3.96Å; I93-F358 HydrophobicContact CG1-CG 4.26Å; I93-F358 HydrophobicContact CG1-CZ 4.41Å; I93-F358 WeakPolarHBondContact O-CB 3.49Å; T355-F358 PolarHBondContact O-N 3.47Å; A356-F358 PolarHBondContact O-N 2.66Å; A356-F358 VanDerWaalsContact O-N 3.08Å
359	Q	92.1	Very high	85.7	Confident	34 Å²	34	76 Å²	76	16%	0.159	42%	0.418	C	S	.	.	S	Bend	trans	-80.8	148.1	-176.5	-58.8	-51.4	-62.5	0	0	112.9	R95 A356 G361 F362	R95-Q359 VanDerWaalsContact NH1-CG 3.26Å; A356-Q359 WeakPolarHBondContact O-CB 3.45Å; A356-Q359 PolarHBondContact O-N 3.09Å; Q359-G361 PolarHBondContact O-N 3.02Å; Q359-F362 PolarHBondContact O-N 3.12Å
360	P	83.1	Confident	84.9	Confident	127 Å²	127	74.4 Å²	74.4	83%	0.825	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	126.2	170.3	-23.2	33.3	0	0	0	111
361	G	75.6	Confident	84	Confident	79 Å²	79	77.4 Å²	77.4	81%	0.814	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-9.6	178.8	0	0	0	0	0	116.2	Q359	Q359-G361 PolarHBondContact O-N 3.02Å
362	F	69.8	Low	83	Confident	131 Å²	131	83.3 Å²	83.3	58%	0.575	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-28.8	173.3	-162.3	-89.1	0	0	0	113	Q357 Q359 S364	Q357-F362 VanDerWaalsContact CA-CD1 3.49Å; Q357-F362 HydrophobicContact CB-CD1 3.93Å; Q357-F362 HydrophobicContact CB-CE1 3.92Å; Q359-F362 PolarHBondContact O-N 3.12Å; F362-S364 PolarHBondContact O-N 3.44Å; F362-S364 VanDerWaalsContact O-N 3.09Å
363	R	52.5	Low	81.8	Confident	166 Å²	166	86.1 Å²	86.1	63%	0.626	49%	0.485	S	S	*	.			trans	-77	91.6	172.3	-64.1	-178.3	-178	-179.3	-0.2	108.7
364	S	35.9	Very low	80.5	Confident	182 Å²	182	82.6 Å²	82.6	100%	1.273	48%	0.477	S	S	*	.			trans	-106.7	0	168.7	15.7	0	0	0	0	110.4	F362	F362-S364 PolarHBondContact O-N 3.44Å; F362-S364 VanDerWaalsContact O-N 3.09Å

Retrieved 364 of 364 residues in 302 ms (Link to these results)

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