A0A077Z375_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z375, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 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	30.5	Very low	31.1	Very low	248 Å²	248	147.8 Å²	147.8	100%	1.222	72%	0.718	S	S	*	*				0	59.5	0	-140.9	171.2	-158.2	0	0	108.7
2	F	26.8	Very low	31.2	Very low	200 Å²	200	153.1 Å²	153.1	88%	0.877	73%	0.725	S	S	*	*			trans	-108.4	123.5	-176.7	-90.7	-100.6	0	0	0	106.4
3	L	27.4	Very low	31.3	Very low	137 Å²	137	156.5 Å²	156.5	72%	0.717	74%	0.735	S	S	*	*			trans	153.3	139.4	149	-109.2	66.1	0	0	0	109.8
4	Y	28.9	Very low	31.2	Very low	169 Å²	169	157.4 Å²	157.4	66%	0.663	74%	0.739	S	S	*	*			trans	82.9	79.2	167.1	-56.2	-70.6	0	0	0	119.3	F7	Y4-F7 HydrophobicContact CD1-CD2 4.44Å; Y4-F7 HydrophobicContact CE1-CE2 4.49Å
5	C	32.4	Very low	31.1	Very low	86 Å²	86	160.1 Å²	160.1	58%	0.581	75%	0.748	S	S	*	*			trans	-131	33.6	144.6	-135.5	0	0	0	0	112.1
6	L	32.2	Very low	31	Very low	115 Å²	115	159.4 Å²	159.4	60%	0.602	76%	0.757	S	S	*	*			trans	-103.1	3.4	-173	-103.5	161.6	0	0	0	115.9
7	F	32.8	Very low	31	Very low	139 Å²	139	156.2 Å²	156.2	61%	0.61	76%	0.763	S	S	*	*			trans	-98.8	-6.3	-171.1	-98	-82.3	0	0	0	117.2	Y4 C9	Y4-F7 HydrophobicContact CD1-CD2 4.44Å; Y4-F7 HydrophobicContact CE1-CE2 4.49Å; F7-C9 PolarHBondContact O-N 2.67Å
8	A	34.6	Very low	31	Very low	69 Å²	69	152.6 Å²	152.6	57%	0.57	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-15.9	-177.4	0	0	0	0	0	114.5	P137	A8-P137 HydrophobicContact CB-CB 4.31Å; A8-P137 HydrophobicContact CB-CG 4.43Å
9	C	34.5	Very low	31.3	Very low	85 Å²	85	152.5 Å²	152.5	57%	0.574	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-9.7	176.7	-102.2	0	0	0	0	114.3	F7 Y11	F7-C9 PolarHBondContact O-N 2.67Å; C9-Y11 PolarHBondContact O-N 3.18Å
10	Y	31.9	Very low	31.4	Very low	180 Å²	180	148.5 Å²	148.5	71%	0.706	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-13.1	-168.1	-145.7	-95.1	0	0	0	114.4
11	Y	30.4	Very low	31.5	Very low	198 Å²	198	150.3 Å²	150.3	78%	0.776	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	7.1	-169.7	-105	-84.3	0	0	0	116.8	C9	C9-Y11 PolarHBondContact O-N 3.18Å
12	R	32.4	Very low	31.6	Very low	211 Å²	211	143.9 Å²	143.9	80%	0.796	75%	0.751	S	S	*	*	S	Bend	trans	-101.1	9.2	-177.3	-147.3	169.1	-177	169.2	-0.1	116
13	F	32.7	Very low	31.6	Very low	197 Å²	197	143.4 Å²	143.4	86%	0.864	75%	0.752	S	S	*	*			trans	-126.5	8.2	-174.8	-100.6	-81.8	0	0	0	117.8	K15	F13-K15 PolarHBondContact O-N 3.2Å
14	Q	29.8	Very low	32.1	Very low	169 Å²	169	144.9 Å²	144.9	79%	0.79	76%	0.759	S	S	*	*	S	Bend	trans	-88.6	20.6	-177.4	-96.9	-171.2	-8.3	0	0	117
15	K	29.1	Very low	32.1	Very low	199 Å²	199	142.4 Å²	142.4	87%	0.865	77%	0.767	S	S	*	*	S	Bend	trans	-145.5	80.8	170.2	-78.8	-168.9	176.3	-177.7	0	111.8	F13	F13-K15 PolarHBondContact O-N 3.2Å
16	V	30.3	Very low	32.2	Very low	149 Å²	149	141.9 Å²	141.9	90%	0.903	78%	0.775	S	S	*	*			trans	-168.6	94.9	130.1	178.8	0	0	0	0	105.9
17	A	29.9	Very low	32.1	Very low	104 Å²	104	143.9 Å²	143.9	86%	0.86	79%	0.787	S	S	*	*			trans	-135.5	111.9	163.9	0	0	0	0	0	106.3
18	A	31.2	Very low	32.3	Very low	91 Å²	91	146.3 Å²	146.3	75%	0.752	80%	0.8	S	S	*	*			trans	163	89	154.1	0	0	0	0	0	110.3
19	T	37.1	Very low	32.1	Very low	151 Å²	151	151.2 Å²	151.2	93%	0.926	82%	0.815	S	S	*	*			trans	172.3	118.1	151.4	48.4	0	0	0	0	104.2
20	G	33.5	Very low	32.2	Very low	72 Å²	72	152.8 Å²	152.8	74%	0.742	82%	0.824	S	S	*	*			cis	122.7	87.8	29.7	0	0	0	0	0	107.9
21	E	32.9	Very low	32.1	Very low	188 Å²	188	153.8 Å²	153.8	88%	0.879	84%	0.835	S	S	*	*			trans	71.3	162.6	156.2	-66.3	-173.3	-172.3	0	0	121.7
22	P	32.9	Very low	32.3	Very low	112 Å²	112	148.4 Å²	148.4	73%	0.727	83%	0.827	S	S	*	*			cis	-134.6	177.9	-32.6	32	-11.8	0	0	0	114.5
23	E	27.9	Very low	32.6	Very low	191 Å²	191	150.2 Å²	150.2	89%	0.893	83%	0.834	S	S	*	*			trans	-58.5	140.2	177.6	-66.6	175.7	147.7	0	0	114.7
24	I	36.5	Very low	33.1	Very low	167 Å²	167	145.5 Å²	145.5	86%	0.856	83%	0.831	S	S	*	*			trans	-129.9	108.9	160.6	-59	178.5	0	0	0	108.4
25	S	29.4	Very low	33.9	Very low	118 Å²	118	144.6 Å²	144.6	83%	0.825	83%	0.832	S	S	*	*			trans	-76.7	137.5	159.1	54.1	0	0	0	0	110
26	G	33.4	Very low	34.8	Very low	74 Å²	74	142 Å²	142	76%	0.763	82%	0.817	S	S	*	*			trans	162.7	108.3	168.9	0	0	0	0	0	113.3
27	D	30.1	Very low	36.3	Very low	157 Å²	157	137 Å²	137	84%	0.84	79%	0.786	S	S	*	*			trans	-47.6	131.4	170.3	-71.7	-53.6	0	0	0	113.2
28	H	37.1	Very low	37.8	Very low	191 Å²	191	132.5 Å²	132.5	88%	0.884	75%	0.748	S	S	*	*			trans	-173.9	105.8	137.5	-91	-49	0	0	0	109	P30	H28-P30 WeakPolarHBondContact O-CD 3.49Å
29	L	30.7	Very low	39.3	Very low	171 Å²	171	128.4 Å²	128.4	90%	0.895	71%	0.713	S	S	*	*			trans	-73.9	121.8	167.5	-77.6	158.8	0	0	0	109.3
30	P	37.6	Very low	40.4	Very low	118 Å²	118	122.4 Å²	122.4	77%	0.766	68%	0.679	S	S	*	*			trans	-87.1	121.4	164	0.9	18.9	0	0	0	109.3	H28 S32	H28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-S32 PolarHBondContact O-N 3.37Å
31	E	29.5	Very low	41.6	Very low	201 Å²	201	123.6 Å²	123.6	94%	0.939	67%	0.666	S	S	*	*			trans	-60.7	97.1	165.5	-69.5	178.2	141.3	0	0	110.8
32	S	34.6	Very low	43	Very low	86 Å²	86	115.2 Å²	115.2	60%	0.601	63%	0.628	S	S	*	*			trans	-163.9	82.6	146.6	73.1	0	0	0	0	111.4	P30 A34	P30-S32 PolarHBondContact O-N 3.37Å; S32-A34 PolarHBondContact O-N 3.02Å; S32-A34 VanDerWaalsContact O-N 3.12Å
33	R	39.3	Very low	44.3	Very low	249 Å²	249	112 Å²	112	94%	0.94	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-67.2	-3	173.8	-93.3	-178.8	171.7	169.9	-1.8	114.5
34	A	42.5	Very low	45.6	Very low	98 Å²	98	109.1 Å²	109.1	81%	0.81	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-82	-8.7	-175.1	0	0	0	0	0	115.2	S32	S32-A34 PolarHBondContact O-N 3.02Å; S32-A34 VanDerWaalsContact O-N 3.12Å
35	N	46.1	Very low	46.3	Very low	150 Å²	150	103.8 Å²	103.8	80%	0.802	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-124.6	14.5	-177.6	-107.5	-13.4	0	0	0	114.2	N37	N35-N37 PolarHBondContact O-N 3.47Å; N35-N37 VanDerWaalsContact O-N 3.1Å
36	Y	49.2	Very low	47.2	Very low	143 Å²	143	101.2 Å²	101.2	56%	0.561	57%	0.566	S	S	*	*			trans	-73	106.2	178.6	-173.5	-108.5	0	0	0	110.5	P38 M41	Y36-P38 HydrophobicContact CD1-CB 4.32Å; Y36-P38 HydrophobicContact CD1-CG 4.14Å; Y36-P38 HydrophobicContact CE1-CB 3.58Å; Y36-P38 HydrophobicContact CE1-CG 3.79Å; Y36-P38 VanDerWaalsContact O-CD 3.3Å; Y36-P38 WeakPolarHBondContact O-CD 3.49Å; Y36-M41 HydrophobicContact CE2-SD 4.11Å
37	N	61.9	Low	47.8	Very low	44 Å²	44	103 Å²	103	24%	0.235	56%	0.558	C	S	.	*			trans	-111	87.1	174.8	-175.5	-22.9	0	0	0	108.6	N35 I39 A40 M41 Y125	N35-N37 PolarHBondContact O-N 3.47Å; N35-N37 VanDerWaalsContact O-N 3.1Å; N37-I39 PolarHBondContact O-N 3.1Å; N37-I39 PolarHBondContact OD1-N 3.32Å; N37-A40 HydrophobicContact CB-CB 3.87Å; N37-A40 VanDerWaalsContact ND2-CB 3.35Å; N37-A40 WeakPolarHBondContact ND2-CB 3.4Å; N37-A40 PolarHBondContact O-N 3.31Å; N37-A40 VanDerWaalsContact OD1-CB 3.32Å; N37-A40 WeakPolarHBondContact OD1-CB 3.43Å; N37-A40 PolarHBondContact OD1-N 3.05Å; N37-M41 PolarHBondContact O-N 2.98Å; N37-Y125 VanDerWaalsContact CG-O 3.24Å; N37-Y125 PolarHBondContact ND2-O 3.46Å; N37-Y125 VanDerWaalsContact OD1-CB 3.28Å; N37-Y125 WeakPolarHBondContact OD1-CB 3.37Å; N37-Y125 PolarHBondContact OD1-O 3.46Å
38	P	60.3	Low	48.9	Very low	11 Å²	11	104.7 Å²	104.7	7%	0.071	56%	0.56	C	S	.	*	H	α-helix	trans	-59.7	-36	-174	19.1	-28.1	0	0	0	111.3	Y36 M41 M42 V53 Y125	Y36-P38 HydrophobicContact CD1-CB 4.32Å; Y36-P38 HydrophobicContact CD1-CG 4.14Å; Y36-P38 HydrophobicContact CE1-CB 3.58Å; Y36-P38 HydrophobicContact CE1-CG 3.79Å; Y36-P38 VanDerWaalsContact O-CD 3.3Å; Y36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-M41 PolarHBondContact O-N 3.05Å; P38-M42 WeakPolarHBondContact O-CG 3.45Å; P38-M42 PolarHBondContact O-N 2.96Å; P38-V53 HydrophobicContact CB-CG2 3.78Å; P38-V53 HydrophobicContact CG-CG2 4.2Å; P38-Y125 HydrophobicContact CG-CD1 4.23Å; P38-Y125 HydrophobicContact CG-CE1 4.23Å
39	I	63.3	Low	49.7	Very low	4 Å²	4	96.8 Å²	96.8	2%	0.021	53%	0.526	C	S	.	.	H	α-helix	trans	-71.9	-41.3	179.8	-54.9	-174.6	0	0	0	111.6	N37 M41 M42 V43 V53 L55 V89 Y125 C127 I129	N37-I39 PolarHBondContact O-N 3.1Å; N37-I39 PolarHBondContact OD1-N 3.32Å; I39-M41 PolarHBondContact O-N 3.42Å; I39-M42 HydrophobicContact CG1-SD 4.41Å; I39-M42 CarbonylContact O-C 3.48Å; I39-M42 WeakPolarHBondContact O-CA 3.24Å; I39-M42 WeakPolarHBondContact O-CB 3.39Å; I39-M42 PolarHBondContact O-N 3.47Å; I39-M42 VanDerWaalsContact O-N 3.08Å; I39-V43 HydrophobicContact CG2-CG2 4.13Å; I39-V43 WeakPolarHBondContact O-CB 3.41Å; I39-V43 VanDerWaalsContact O-CG2 3.28Å; I39-V43 WeakPolarHBondContact O-CG2 3.37Å; I39-V43 PolarHBondContact O-N 3.43Å; I39-V53 HydrophobicContact CD1-CG1 4.34Å; I39-V53 HydrophobicContact CG1-CG1 4.03Å; I39-L55 HydrophobicContact CD1-CD2 3.32Å; I39-L55 HydrophobicContact CG1-CD2 4.49Å; I39-V89 HydrophobicContact CG2-CG1 3.56Å; I39-Y125 HydrophobicContact CD1-CD2 3.36Å; I39-Y125 HydrophobicContact CD1-CE2 4.2Å; I39-Y125 HydrophobicContact CD1-CG 3.94Å; I39-Y125 HydrophobicContact CG1-CD2 3.95Å; I39-Y125 HydrophobicContact CG1-CG 4.13Å; I39-C127 HydrophobicContact CG2-CB 4.22Å; I39-C127 VanDerWaalsContact CG2-SG 3.58Å; I39-I129 HydrophobicContact CD1-CD1 3.86Å
40	A	59	Low	50.9	Low	25 Å²	25	91 Å²	91	21%	0.207	50%	0.499	C	S	.	.	H	α-helix	trans	-64.5	-33	174.6	0	0	0	0	0	111.4	N37 N44	N37-A40 HydrophobicContact CB-CB 3.87Å; N37-A40 VanDerWaalsContact ND2-CB 3.35Å; N37-A40 WeakPolarHBondContact ND2-CB 3.4Å; N37-A40 PolarHBondContact O-N 3.31Å; N37-A40 VanDerWaalsContact OD1-CB 3.32Å; N37-A40 WeakPolarHBondContact OD1-CB 3.43Å; N37-A40 PolarHBondContact OD1-N 3.05Å; A40-N44 WeakPolarHBondContact O-CB 3.36Å; A40-N44 PolarHBondContact O-N 3.28Å; A40-N44 PolarHBondContact O-ND2 3.44Å
41	M	58.9	Low	51.9	Low	97 Å²	97	93.9 Å²	93.9	48%	0.478	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-49.6	167.6	-65.8	-164.3	79.5	0	0	110.3	Y36 N37 P38 I39 V43 N44 S45	Y36-M41 HydrophobicContact CE2-SD 4.11Å; N37-M41 PolarHBondContact O-N 2.98Å; P38-M41 PolarHBondContact O-N 3.05Å; I39-M41 PolarHBondContact O-N 3.42Å; M41-V43 VanDerWaalsContact C-N 3.29Å; M41-V43 PolarHBondContact O-N 3.26Å; M41-N44 PolarHBondContact O-N 2.71Å; M41-N44 VanDerWaalsContact O-N 3.15Å; M41-S45 PolarHBondContact O-N 3.05Å; M41-S45 PolarHBondContact O-OG 3.18Å
42	M	63.7	Low	54.3	Low	13 Å²	13	90.6 Å²	90.6	6%	0.064	49%	0.489	C	S	.	.	H	α-helix	trans	-54.9	-41	177.3	-66.9	162.1	73.4	0	0	113.3	P38 I39 V49 V53 I61 Y74	P38-M42 WeakPolarHBondContact O-CG 3.45Å; P38-M42 PolarHBondContact O-N 2.96Å; I39-M42 HydrophobicContact CG1-SD 4.41Å; I39-M42 CarbonylContact O-C 3.48Å; I39-M42 WeakPolarHBondContact O-CA 3.24Å; I39-M42 WeakPolarHBondContact O-CB 3.39Å; I39-M42 PolarHBondContact O-N 3.47Å; I39-M42 VanDerWaalsContact O-N 3.08Å; M42-V49 HydrophobicContact CE-CB 4.35Å; M42-V49 HydrophobicContact CE-CG1 4.16Å; M42-V49 HydrophobicContact CE-CG2 3.72Å; M42-V53 HydrophobicContact SD-CG2 4.01Å; M42-I61 HydrophobicContact CE-CG2 3.75Å; M42-Y74 HydrophobicContact CE-CD1 3.94Å; M42-Y74 HydrophobicContact CE-CE1 3.5Å
43	V	58.7	Low	56.8	Low	44 Å²	44	86.8 Å²	86.8	27%	0.267	46%	0.462	S	S	.	.	H	α-helix	trans	-74.9	-36.3	179.9	174.9	0	0	0	0	111.8	I39 M41 V89	I39-V43 HydrophobicContact CG2-CG2 4.13Å; I39-V43 WeakPolarHBondContact O-CB 3.41Å; I39-V43 VanDerWaalsContact O-CG2 3.28Å; I39-V43 WeakPolarHBondContact O-CG2 3.37Å; I39-V43 PolarHBondContact O-N 3.43Å; M41-V43 VanDerWaalsContact C-N 3.29Å; M41-V43 PolarHBondContact O-N 3.26Å; V43-V89 HydrophobicContact CG2-CG1 4.05Å
44	N	55	Low	59.4	Low	130 Å²	130	76.2 Å²	76.2	70%	0.695	43%	0.425	S	S	*	.	H	α-helix	trans	-95	-28.7	-173.3	-66.4	-33	0	0	0	114.6	A40 M41	A40-N44 WeakPolarHBondContact O-CB 3.36Å; A40-N44 PolarHBondContact O-N 3.28Å; A40-N44 PolarHBondContact O-ND2 3.44Å; M41-N44 PolarHBondContact O-N 2.71Å; M41-N44 VanDerWaalsContact O-N 3.15Å
45	S	51.9	Low	61.7	Low	55 Å²	55	71.6 Å²	71.6	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-109.6	-6.3	-173.2	66.2	0	0	0	0	114.6	M41 L47	M41-S45 PolarHBondContact O-N 3.05Å; M41-S45 PolarHBondContact O-OG 3.18Å; S45-L47 PolarHBondContact O-N 2.91Å; S45-L47 WeakPolarHBondContact OG-CD1 3.22Å; S45-L47 WeakPolarHBondContact OG-CG 3.32Å
46	G	48.8	Very low	63.9	Low	64 Å²	64	65.6 Å²	65.6	66%	0.66	36%	0.358	S	S	*	.			trans	60	12.9	-178.8	0	0	0	0	0	114.4
47	L	46.5	Very low	65.9	Low	113 Å²	113	66.2 Å²	66.2	59%	0.592	37%	0.371	S	S	*	.			trans	-66.3	145.9	179.5	-77	164.9	0	0	0	110.6	S45	S45-L47 PolarHBondContact O-N 2.91Å; S45-L47 WeakPolarHBondContact OG-CD1 3.22Å; S45-L47 WeakPolarHBondContact OG-CG 3.32Å
48	E	53.1	Low	67.5	Low	192 Å²	192	67.9 Å²	67.9	90%	0.897	38%	0.376	S	S	*	.			trans	-53.8	139.5	173.8	-71.8	-169.7	150.8	0	0	110.9	S50	E48-S50 PolarHBondContact O-N 3.07Å; E48-S50 VanDerWaalsContact O-N 3.11Å
49	V	54.1	Low	69.2	Low	25 Å²	25	67.7 Å²	67.7	15%	0.152	37%	0.374	C	S	.	.			trans	-52.4	115.9	178.7	177	0	0	0	0	109.2	M42 K51 I61 Y74	M42-V49 HydrophobicContact CE-CB 4.35Å; M42-V49 HydrophobicContact CE-CG1 4.16Å; M42-V49 HydrophobicContact CE-CG2 3.72Å; V49-K51 PolarHBondContact O-N 3.16Å; V49-I61 HydrophobicContact CG1-CB 4.31Å; V49-I61 HydrophobicContact CG1-CG2 3.79Å; V49-I61 HydrophobicContact CG2-CG2 4.15Å; V49-Y74 HydrophobicContact CG2-CD1 4.16Å; V49-Y74 HydrophobicContact CG2-CE1 4.11Å
50	S	54.5	Low	70.7	Confident	49 Å²	49	69.9 Å²	69.9	34%	0.343	39%	0.385	S	S	.	.			trans	-60.9	128.1	162.4	72.9	0	0	0	0	106.8	E48 D52	E48-S50 PolarHBondContact O-N 3.07Å; E48-S50 VanDerWaalsContact O-N 3.11Å; S50-D52 PolarHBondContact O-N 3.23Å
51	K	59.7	Low	72.4	Confident	178 Å²	178	68.9 Å²	68.9	77%	0.774	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	13.8	-168.1	-73.9	-178.7	176.8	173.9	0	115.3	V49	V49-K51 PolarHBondContact O-N 3.16Å
52	D	79.9	Confident	74	Confident	133 Å²	133	66.8 Å²	66.8	71%	0.711	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	1.9	-165	-56.5	-42.4	0	0	0	114.2	S50 V54	S50-D52 PolarHBondContact O-N 3.23Å; D52-V54 PolarHBondContact O-N 2.85Å
53	V	87.5	Confident	75.4	Confident	6 Å²	6	71.5 Å²	71.5	4%	0.036	39%	0.386	C	S	.	.			trans	-75.8	111.6	179.8	-176.4	0	0	0	0	110.7	P38 I39 M42 L55 I61	P38-V53 HydrophobicContact CB-CG2 3.78Å; P38-V53 HydrophobicContact CG-CG2 4.2Å; I39-V53 HydrophobicContact CD1-CG1 4.34Å; I39-V53 HydrophobicContact CG1-CG1 4.03Å; M42-V53 HydrophobicContact SD-CG2 4.01Å; V53-L55 HydrophobicContact CG1-CD2 4.18Å; V53-I61 HydrophobicContact CB-CB 4.37Å; V53-I61 HydrophobicContact CB-CG1 4.45Å; V53-I61 HydrophobicContact CG1-CG1 4.25Å; V53-I61 PolarHBondContact O-N 3.03Å
54	V	92	Very high	77	Confident	27 Å²	27	73.7 Å²	73.7	16%	0.164	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122	176.5	-177.3	0	0	0	0	110.3	D52 Y59 L60 K79	D52-V54 PolarHBondContact O-N 2.85Å; V54-Y59 CarbonylContact C-O 3.6Å; V54-Y59 WeakPolarHBondContact CA-O 3.44Å; V54-L60 HydrophobicContact CG2-CD1 3.82Å; V54-K79 HydrophobicContact CG1-CD 3.9Å; V54-K79 HydrophobicContact CG2-CD 4.11Å
55	L	91.9	Very high	78.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.3	178.2	-55	179.3	0	0	0	111.7	I39 V53 N57 K58 Y59 I61 V87 E124 Y125 I129	I39-L55 HydrophobicContact CD1-CD2 3.32Å; I39-L55 HydrophobicContact CG1-CD2 4.49Å; V53-L55 HydrophobicContact CG1-CD2 4.18Å; L55-N57 PolarHBondContact O-N 3.33Å; L55-K58 PolarHBondContact O-N 3.4Å; L55-Y59 PolarHBondContact N-O 3.12Å; L55-Y59 PolarHBondContact O-N 3.31Å; L55-I61 HydrophobicContact CD1-CD1 3.37Å; L55-I61 HydrophobicContact CD1-CG1 3.83Å; L55-I61 HydrophobicContact CG-CD1 4.03Å; L55-I61 HydrophobicContact CG-CG1 3.98Å; L55-V87 HydrophobicContact CD1-CG1 3.56Å; L55-V87 HydrophobicContact CD1-CG2 4.46Å; L55-E124 WeakPolarHBondContact CA-OE2 3.28Å; L55-Y125 HydrophobicContact CD2-CD2 4.31Å; L55-Y125 HydrophobicContact CD2-CE2 4.24Å; L55-I129 HydrophobicContact CD1-CD1 4.01Å; L55-I129 HydrophobicContact CD1-CG2 3.88Å; L55-I129 HydrophobicContact CD2-CD1 3.65Å; L55-I129 HydrophobicContact CG-CD1 4.36Å
56	A	91.3	Very high	80.4	Confident	25 Å²	25	69 Å²	69	21%	0.207	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	31.4	179.2	0	0	0	0	0	112.9	K58 Y59 W120 E124	A56-K58 WeakPolarHBondContact O-CB 3.49Å; A56-K58 PolarHBondContact O-N 2.84Å; A56-Y59 HydrophobicContact CB-CD2 4.28Å; A56-Y59 HydrophobicContact CB-CE2 4.4Å; A56-W120 HydrophobicContact CB-CD2 3.91Å; A56-W120 HydrophobicContact CB-CE3 4.27Å; A56-W120 HydrophobicContact CB-CG 4.42Å; A56-W120 HydrophobicContact CB-CH2 4.07Å; A56-W120 HydrophobicContact CB-CZ2 3.73Å; A56-W120 HydrophobicContact CB-CZ3 4.32Å; A56-E124 WeakPolarHBondContact CA-OE1 3.08Å; A56-E124 VanDerWaalsContact N-CD 3.28Å; A56-E124 PolarHBondContact N-OE1 3.04Å; A56-E124 PolarHBondContact N-OE2 3.07Å
57	N	91.5	Very high	82.1	Confident	155 Å²	155	69.8 Å²	69.8	83%	0.829	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	18.4	-171.3	-64.8	-37.5	0	0	0	114.8	L55	L55-N57 PolarHBondContact O-N 3.33Å
58	K	95.4	Very high	83.3	Confident	80 Å²	80	66 Å²	66	35%	0.348	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-36.7	-166.4	-175.7	173.2	177.3	-175.2	0	114.6	L55 A56 N78 K79	L55-K58 PolarHBondContact O-N 3.4Å; A56-K58 WeakPolarHBondContact O-CB 3.49Å; A56-K58 PolarHBondContact O-N 2.84Å; K58-N78 VanDerWaalsContact CE-CG 3.45Å; K58-N78 WeakPolarHBondContact CE-ND2 3.1Å; K58-N78 WeakPolarHBondContact CE-OD1 3.22Å; K58-N78 WeakPolarHBondContact CG-OD1 3.35Å; K58-K79 WeakPolarHBondContact O-CB 3.36Å; K58-K79 WeakPolarHBondContact O-CG 3.16Å; K58-K79 PolarHBondContact O-N 2.83Å
59	Y	96.4	Very high	83.9	Confident	6 Å²	6	60.4 Å²	60.4	2%	0.024	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.3	-171.7	-52.6	-76.9	0	0	0	110.7	V54 L55 A56 I61 I77 N78 V85 W120 V131	V54-Y59 CarbonylContact C-O 3.6Å; V54-Y59 WeakPolarHBondContact CA-O 3.44Å; L55-Y59 PolarHBondContact N-O 3.12Å; L55-Y59 PolarHBondContact O-N 3.31Å; A56-Y59 HydrophobicContact CB-CD2 4.28Å; A56-Y59 HydrophobicContact CB-CE2 4.4Å; Y59-I61 PolarHBondContact O-N 3.34Å; Y59-I77 WeakPolarHBondContact CA-O 3.29Å; Y59-N78 HydrophobicContact CD1-CB 3.95Å; Y59-N78 HydrophobicContact CE1-CB 3.97Å; Y59-V85 HydrophobicContact CD1-CG2 3.87Å; Y59-V85 HydrophobicContact CE1-CG2 4.45Å; Y59-W120 HydrophobicContact CE2-CB 3.97Å; Y59-W120 HydrophobicContact CE2-CG 4.45Å; Y59-V131 HydrophobicContact CD1-CG1 3.99Å; Y59-V131 HydrophobicContact CD2-CG1 4.28Å; Y59-V131 HydrophobicContact CD2-CG2 3.92Å; Y59-V131 HydrophobicContact CE1-CG1 3.87Å; Y59-V131 HydrophobicContact CE2-CB 4.38Å; Y59-V131 HydrophobicContact CE2-CG1 4.17Å; Y59-V131 HydrophobicContact CE2-CG2 4.09Å; Y59-V131 HydrophobicContact CG-CG1 4.19Å; Y59-V131 HydrophobicContact CG-CG2 4.36Å
60	L	95.5	Very high	84.7	Confident	50 Å²	50	61.4 Å²	61.4	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.7	176.5	177.4	65.8	0	0	0	109.7	V54 A76 I77 K79	V54-L60 HydrophobicContact CG2-CD1 3.82Å; L60-A76 CarbonylContact O-C 3.44Å; L60-A76 WeakPolarHBondContact O-CA 3.37Å; L60-A76 VanDerWaalsContact O-CB 3.22Å; L60-A76 WeakPolarHBondContact O-CB 3.18Å; L60-I77 PolarHBondContact N-O 2.93Å; L60-I77 PolarHBondContact O-N 3.13Å; L60-K79 HydrophobicContact CB-CD 4.39Å; L60-K79 HydrophobicContact CB-CG 4.14Å
61	I	94.2	Very high	85.9	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.1	174.8	-59.6	-59.3	0	0	0	109.6	M42 V49 V53 L55 Y59 Y74 A76 V87	M42-I61 HydrophobicContact CE-CG2 3.75Å; V49-I61 HydrophobicContact CG1-CB 4.31Å; V49-I61 HydrophobicContact CG1-CG2 3.79Å; V49-I61 HydrophobicContact CG2-CG2 4.15Å; V53-I61 HydrophobicContact CB-CB 4.37Å; V53-I61 HydrophobicContact CB-CG1 4.45Å; V53-I61 HydrophobicContact CG1-CG1 4.25Å; V53-I61 PolarHBondContact O-N 3.03Å; L55-I61 HydrophobicContact CD1-CD1 3.37Å; L55-I61 HydrophobicContact CD1-CG1 3.83Å; L55-I61 HydrophobicContact CG-CD1 4.03Å; L55-I61 HydrophobicContact CG-CG1 3.98Å; Y59-I61 PolarHBondContact O-N 3.34Å; I61-Y74 HydrophobicContact CG2-CD1 3.78Å; I61-Y74 HydrophobicContact CG2-CG 4.07Å; I61-A76 HydrophobicContact CD1-CB 3.8Å; I61-V87 HydrophobicContact CD1-CB 4.02Å; I61-V87 HydrophobicContact CD1-CG1 4.11Å; I61-V87 HydrophobicContact CD1-CG2 3.83Å
62	V	93.4	Very high	87.4	Confident	53 Å²	53	52.3 Å²	52.3	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-60.2	-177.5	-179.8	0	0	0	0	111.1	L75 I77	V62-L75 HydrophobicContact CB-CB 4.48Å; V62-L75 HydrophobicContact CB-CD2 4.3Å; V62-L75 HydrophobicContact CB-CG 4.18Å; V62-L75 WeakPolarHBondContact CB-O 3.38Å; V62-L75 HydrophobicContact CG1-CD2 4.28Å; V62-L75 HydrophobicContact CG2-CG 4.44Å; V62-L75 PolarHBondContact N-O 3.3Å; V62-I77 HydrophobicContact CG2-CD1 3.69Å; V62-I77 HydrophobicContact CG2-CG1 3.76Å
63	R	92.2	Very high	88	Confident	112 Å²	112	47.9 Å²	47.9	42%	0.423	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	156.4	-177.1	64.4	179.1	178.3	-128.8	-3.5	111.3	I65 Y74 L75	R63-I65 HydrophobicContact CG-CG2 4.22Å; R63-Y74 CarbonylContact O-C 3.55Å; R63-Y74 VanDerWaalsContact O-CA 3.32Å; R63-Y74 WeakPolarHBondContact O-CA 3.46Å; R63-L75 HydrophobicContact CG-CB 4.25Å; R63-L75 HydrophobicContact CG-CD2 4.41Å; R63-L75 PolarHBondContact N-O 3.11Å; R63-L75 PolarHBondContact O-N 3.21Å
64	K	92.1	Very high	88.3	Confident	90 Å²	90	47.9 Å²	47.9	39%	0.391	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.5	168.3	-170	168.5	176.3	166.1	0	109.6	S67 D72 Y74	K64-S67 WeakPolarHBondContact CE-OG 3.22Å; K64-S67 PolarHBondContact NZ-OG 2.83Å; K64-D72 WeakPolarHBondContact CE-OD1 3.46Å; K64-D72 IonicContact NZ-OD1 2.99Å; K64-D72 PolarHBondContact NZ-OD1 2.88Å; K64-D72 IonicContact NZ-OD2 3.26Å; K64-D72 PolarHBondContact NZ-OD2 2.86Å; K64-Y74 HydrophobicContact CB-CD1 3.94Å; K64-Y74 HydrophobicContact CB-CE1 3.74Å; K64-Y74 HydrophobicContact CD-CE1 4.46Å; K64-Y74 HydrophobicContact CG-CE1 4.17Å
65	I	91.7	Very high	88.5	Confident	59 Å²	59	47 Å²	47	30%	0.303	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-12.2	178.8	59.7	174.8	0	0	0	113	R63 I73 L75 L134	R63-I65 HydrophobicContact CG-CG2 4.22Å; I65-I73 HydrophobicContact CD1-CG2 3.91Å; I65-I73 HydrophobicContact CG1-CB 4.16Å; I65-I73 HydrophobicContact CG1-CG2 3.77Å; I65-I73 WeakPolarHBondContact CG1-O 3.5Å; I65-I73 PolarHBondContact N-O 2.82Å; I65-L75 HydrophobicContact CD1-CB 4.49Å; I65-L75 HydrophobicContact CG2-CB 3.67Å; I65-L134 HydrophobicContact CD1-CD1 3.78Å
66	G	87.4	Confident	88.7	Confident	28 Å²	28	47 Å²	47	29%	0.289	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	176.2	174.9	0	0	0	0	0	112.6	I73	G66-I73 PolarHBondContact N-O 3.06Å; G66-I73 PolarHBondContact O-N 3.39Å
67	S	84.2	Confident	89	Confident	81 Å²	81	48.5 Å²	48.5	57%	0.566	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	131.1	169.9	-68.1	0	0	0	0	107.9	K64 D72	K64-S67 WeakPolarHBondContact CE-OG 3.22Å; K64-S67 PolarHBondContact NZ-OG 2.83Å; S67-D72 WeakPolarHBondContact CB-OD1 3.46Å; S67-D72 PolarHBondContact OG-OD1 3.49Å
68	G	70.8	Confident	89.2	Confident	33 Å²	33	41.3 Å²	41.3	34%	0.34	23%	0.232	S	C	.	.			trans	-96.5	-177.2	171.6	0	0	0	0	0	111.3	F70 G71	G68-F70 PolarHBondContact O-N 3.21Å; G68-G71 PolarHBondContact N-O 2.9Å
69	S	66.1	Low	89.2	Confident	75 Å²	75	43.9 Å²	43.9	52%	0.524	24%	0.243	S	C	.	.	S	Bend	trans	-64.5	-21.4	178.6	-56.1	0	0	0	0	113.8
70	F	70.1	Confident	89.2	Confident	45 Å²	45	47.9 Å²	47.9	20%	0.197	27%	0.272	C	S	.	.	S	Bend	trans	-129.5	4.4	-169	-52.5	-70.3	0	0	0	113.9	G68 Q98 L202	G68-F70 PolarHBondContact O-N 3.21Å; F70-Q98 HydrophobicContact CD1-CG 4.45Å; F70-Q98 VanDerWaalsContact CZ-CD 3.5Å; F70-L202 HydrophobicContact CE2-CD2 4.29Å; F70-L202 HydrophobicContact CE2-CG 4.25Å; F70-L202 HydrophobicContact CZ-CD2 3.95Å; F70-L202 HydrophobicContact CZ-CG 4.33Å
71	G	81.3	Confident	89.2	Confident	17 Å²	17	50.2 Å²	50.2	18%	0.175	29%	0.285	C	S	.	.	S	Bend	trans	170.7	178	-175.3	0	0	0	0	0	113.3	G68 V89	G68-G71 PolarHBondContact N-O 2.9Å; G71-V89 CarbonylContact C-O 3.43Å; G71-V89 WeakPolarHBondContact CA-O 3.32Å
72	D	90	Very high	89.2	Confident	20 Å²	20	52.4 Å²	52.4	11%	0.107	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.3	-178.8	-75.2	-30.8	0	0	0	111.6	K64 S67 Y74 K88 V89	K64-D72 WeakPolarHBondContact CE-OD1 3.46Å; K64-D72 IonicContact NZ-OD1 2.99Å; K64-D72 PolarHBondContact NZ-OD1 2.88Å; K64-D72 IonicContact NZ-OD2 3.26Å; K64-D72 PolarHBondContact NZ-OD2 2.86Å; S67-D72 WeakPolarHBondContact CB-OD1 3.46Å; S67-D72 PolarHBondContact OG-OD1 3.49Å; D72-Y74 HydrophobicContact CB-CD2 4.31Å; D72-Y74 HydrophobicContact CB-CE2 3.46Å; D72-Y74 VanDerWaalsContact CB-CE2 3.46Å; D72-K88 WeakPolarHBondContact O-CA 3.21Å; D72-V89 PolarHBondContact N-O 2.82Å; D72-V89 PolarHBondContact O-N 3.49Å
73	I	93	Very high	89.4	Confident	39 Å²	39	53.3 Å²	53.3	20%	0.2	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.6	178.5	-44.8	-61.4	0	0	0	109	I65 G66 A86 V87 K88	I65-I73 HydrophobicContact CD1-CG2 3.91Å; I65-I73 HydrophobicContact CG1-CB 4.16Å; I65-I73 HydrophobicContact CG1-CG2 3.77Å; I65-I73 WeakPolarHBondContact CG1-O 3.5Å; I65-I73 PolarHBondContact N-O 2.82Å; G66-I73 PolarHBondContact N-O 3.06Å; G66-I73 PolarHBondContact O-N 3.39Å; I73-A86 HydrophobicContact CG2-CB 4.43Å; I73-V87 CarbonylContact C-O 3.51Å; I73-V87 WeakPolarHBondContact CA-O 3.22Å; I73-K88 HydrophobicContact CD1-CB 3.58Å; I73-K88 HydrophobicContact CD1-CD 3.72Å; I73-K88 HydrophobicContact CD1-CG 3.42Å; I73-K88 VanDerWaalsContact CD1-CG 3.42Å
74	Y	94.7	Very high	89.6	Confident	6 Å²	6	52.5 Å²	52.5	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.9	179.9	-62.5	-96.3	0	0	0	111.3	M42 V49 I61 R63 K64 D72 A86 V87 V89	M42-Y74 HydrophobicContact CE-CD1 3.94Å; M42-Y74 HydrophobicContact CE-CE1 3.5Å; V49-Y74 HydrophobicContact CG2-CD1 4.16Å; V49-Y74 HydrophobicContact CG2-CE1 4.11Å; I61-Y74 HydrophobicContact CG2-CD1 3.78Å; I61-Y74 HydrophobicContact CG2-CG 4.07Å; R63-Y74 CarbonylContact O-C 3.55Å; R63-Y74 VanDerWaalsContact O-CA 3.32Å; R63-Y74 WeakPolarHBondContact O-CA 3.46Å; K64-Y74 HydrophobicContact CB-CD1 3.94Å; K64-Y74 HydrophobicContact CB-CE1 3.74Å; K64-Y74 HydrophobicContact CD-CE1 4.46Å; K64-Y74 HydrophobicContact CG-CE1 4.17Å; D72-Y74 HydrophobicContact CB-CD2 4.31Å; D72-Y74 HydrophobicContact CB-CE2 3.46Å; D72-Y74 VanDerWaalsContact CB-CE2 3.46Å; Y74-A86 CarbonylContact O-C 3.56Å; Y74-A86 WeakPolarHBondContact O-CA 3.28Å; Y74-V87 PolarHBondContact N-O 3.25Å; Y74-V87 PolarHBondContact O-N 3.14Å; Y74-V89 HydrophobicContact CD2-CG2 3.9Å; Y74-V89 HydrophobicContact CE2-CB 4.33Å; Y74-V89 HydrophobicContact CE2-CG2 4.08Å
75	L	95.3	Very high	89.9	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.7	160	172.7	64.2	0	0	0	108.2	V62 R63 I65 E84 L134	V62-L75 HydrophobicContact CB-CB 4.48Å; V62-L75 HydrophobicContact CB-CD2 4.3Å; V62-L75 HydrophobicContact CB-CG 4.18Å; V62-L75 WeakPolarHBondContact CB-O 3.38Å; V62-L75 HydrophobicContact CG1-CD2 4.28Å; V62-L75 HydrophobicContact CG2-CG 4.44Å; V62-L75 PolarHBondContact N-O 3.3Å; R63-L75 HydrophobicContact CG-CB 4.25Å; R63-L75 HydrophobicContact CG-CD2 4.41Å; R63-L75 PolarHBondContact N-O 3.11Å; R63-L75 PolarHBondContact O-N 3.21Å; I65-L75 HydrophobicContact CD1-CB 4.49Å; I65-L75 HydrophobicContact CG2-CB 3.67Å; L75-E84 HydrophobicContact CD1-CB 4Å; L75-E84 HydrophobicContact CD1-CG 4.34Å; L75-L134 HydrophobicContact CD1-CD1 4.28Å; L75-L134 HydrophobicContact CD1-CD2 3.64Å
76	A	96.4	Very high	90.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	161.5	169.8	0	0	0	0	0	111.2	L60 I61 E84 V85 V87	L60-A76 CarbonylContact O-C 3.44Å; L60-A76 WeakPolarHBondContact O-CA 3.37Å; L60-A76 VanDerWaalsContact O-CB 3.22Å; L60-A76 WeakPolarHBondContact O-CB 3.18Å; I61-A76 HydrophobicContact CD1-CB 3.8Å; A76-E84 WeakPolarHBondContact O-CA 3.39Å; A76-V85 HydrophobicContact CB-CG2 3.77Å; A76-V85 PolarHBondContact N-O 3.37Å; A76-V85 PolarHBondContact O-N 2.96Å; A76-V87 HydrophobicContact CB-CG2 3.47Å; A76-V87 VanDerWaalsContact CB-CG2 3.47Å
77	I	97.1	Very high	90.5	Very high	57 Å²	57	44.5 Å²	44.5	29%	0.292	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.9	175.8	-63	167.5	0	0	0	108.2	Y59 L60 V62 K79	Y59-I77 WeakPolarHBondContact CA-O 3.29Å; L60-I77 PolarHBondContact N-O 2.93Å; L60-I77 PolarHBondContact O-N 3.13Å; V62-I77 HydrophobicContact CG2-CD1 3.69Å; V62-I77 HydrophobicContact CG2-CG1 3.76Å; I77-K79 PolarHBondContact O-N 2.81Å
78	N	96.8	Very high	91	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	111.5	169	178.4	-2.9	0	0	0	109.4	K58 Y59 S80 N81 G82 E83	K58-N78 VanDerWaalsContact CE-CG 3.45Å; K58-N78 WeakPolarHBondContact CE-ND2 3.1Å; K58-N78 WeakPolarHBondContact CE-OD1 3.22Å; K58-N78 WeakPolarHBondContact CG-OD1 3.35Å; Y59-N78 HydrophobicContact CD1-CB 3.95Å; Y59-N78 HydrophobicContact CE1-CB 3.97Å; N78-S80 PolarHBondContact O-N 2.88Å; N78-S80 VanDerWaalsContact O-N 3.12Å; N78-S80 PolarHBondContact OD1-N 2.87Å; N78-S80 VanDerWaalsContact OD1-N 3.13Å; N78-S80 PolarHBondContact OD1-OG 2.97Å; N78-N81 VanDerWaalsContact CB-OD1 3.29Å; N78-N81 WeakPolarHBondContact CB-OD1 3.01Å; N78-N81 PolarHBondContact ND2-OD1 3.3Å; N78-N81 PolarHBondContact O-N 2.86Å; N78-G82 WeakPolarHBondContact O-CA 3.12Å; N78-G82 PolarHBondContact O-N 3.06Å; N78-E83 HydrophobicContact CB-CB 4.13Å; N78-E83 PolarHBondContact N-O 3.27Å
79	K	95.3	Very high	92.1	Very high	134 Å²	134	39.9 Å²	39.9	58%	0.583	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.9	-174.7	-66.2	178.7	67	176.6	0	113.5	V54 K58 L60 I77	V54-K79 HydrophobicContact CG1-CD 3.9Å; V54-K79 HydrophobicContact CG2-CD 4.11Å; K58-K79 WeakPolarHBondContact O-CB 3.36Å; K58-K79 WeakPolarHBondContact O-CG 3.16Å; K58-K79 PolarHBondContact O-N 2.83Å; L60-K79 HydrophobicContact CB-CD 4.39Å; L60-K79 HydrophobicContact CB-CG 4.14Å; I77-K79 PolarHBondContact O-N 2.81Å
80	S	94.9	Very high	93.4	Very high	91 Å²	91	36.4 Å²	36.4	64%	0.636	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-25.7	-176.2	72.8	0	0	0	0	113.8	N78	N78-S80 PolarHBondContact O-N 2.88Å; N78-S80 VanDerWaalsContact O-N 3.12Å; N78-S80 PolarHBondContact OD1-N 2.87Å; N78-S80 VanDerWaalsContact OD1-N 3.13Å; N78-S80 PolarHBondContact OD1-OG 2.97Å
81	N	95.9	Very high	94.3	Very high	98 Å²	98	35.7 Å²	35.7	52%	0.524	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	1.3	-172	66.3	-1.4	0	0	0	114.4	N78 E83	N78-N81 VanDerWaalsContact CB-OD1 3.29Å; N78-N81 WeakPolarHBondContact CB-OD1 3.01Å; N78-N81 PolarHBondContact ND2-OD1 3.3Å; N78-N81 PolarHBondContact O-N 2.86Å; N81-E83 PolarHBondContact O-N 3.31Å; N81-E83 WeakPolarHBondContact OD1-CB 3.14Å; N81-E83 PolarHBondContact OD1-N 2.81Å
82	G	95.4	Very high	94.7	Very high	51 Å²	51	39.6 Å²	39.6	53%	0.526	22%	0.22	S	C	.	.			trans	73.3	8.5	-179.1	0	0	0	0	0	114.6	N78 E84	N78-G82 WeakPolarHBondContact O-CA 3.12Å; N78-G82 PolarHBondContact O-N 3.06Å; G82-E84 PolarHBondContact O-N 2.94Å
83	E	96.4	Very high	94.7	Very high	71 Å²	71	47.7 Å²	47.7	33%	0.332	25%	0.254	S	S	.	.			trans	-67.1	127.3	-179.2	-178.6	-177.1	-149	0	0	111.3	N78 N81 V85 K119	N78-E83 HydrophobicContact CB-CB 4.13Å; N78-E83 PolarHBondContact N-O 3.27Å; N81-E83 PolarHBondContact O-N 3.31Å; N81-E83 WeakPolarHBondContact OD1-CB 3.14Å; N81-E83 PolarHBondContact OD1-N 2.81Å; E83-V85 HydrophobicContact CG-CG1 4.14Å; E83-K119 IonicContact OE1-NZ 2.7Å; E83-K119 PolarHBondContact OE1-NZ 2.6Å; E83-K119 IonicContact OE2-NZ 2.99Å; E83-K119 PolarHBondContact OE2-NZ 3.04Å
84	E	97.2	Very high	94.4	Very high	95 Å²	95	47.6 Å²	47.6	44%	0.444	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.3	170.9	-65.1	-173.2	159.3	0	0	111.2	L75 A76 G82 L134	L75-E84 HydrophobicContact CD1-CB 4Å; L75-E84 HydrophobicContact CD1-CG 4.34Å; A76-E84 WeakPolarHBondContact O-CA 3.39Å; G82-E84 PolarHBondContact O-N 2.94Å; E84-L134 HydrophobicContact CB-CD2 3.78Å
85	V	97.5	Very high	94	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.2	-176	-52.5	0	0	0	0	111.1	Y59 A76 E83 V87 K119 V131	Y59-V85 HydrophobicContact CD1-CG2 3.87Å; Y59-V85 HydrophobicContact CE1-CG2 4.45Å; A76-V85 HydrophobicContact CB-CG2 3.77Å; A76-V85 PolarHBondContact N-O 3.37Å; A76-V85 PolarHBondContact O-N 2.96Å; E83-V85 HydrophobicContact CG-CG1 4.14Å; V85-V87 HydrophobicContact CG2-CG2 4.24Å; V85-K119 HydrophobicContact CB-CD 4.2Å; V85-K119 HydrophobicContact CG1-CD 3.51Å; V85-V131 HydrophobicContact CB-CG1 3.98Å; V85-V131 HydrophobicContact CG2-CG1 3.62Å
86	A	97.2	Very high	93.5	Very high	9 Å²	9	62.5 Å²	62.5	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.5	170.1	0	0	0	0	0	110.2	I73 Y74 V131 M132 L134	I73-A86 HydrophobicContact CG2-CB 4.43Å; Y74-A86 CarbonylContact O-C 3.56Å; Y74-A86 WeakPolarHBondContact O-CA 3.28Å; A86-V131 WeakPolarHBondContact O-CA 3.48Å; A86-M132 HydrophobicContact CB-CG 4.08Å; A86-M132 PolarHBondContact N-O 3.04Å; A86-M132 PolarHBondContact O-N 3.39Å; A86-L134 HydrophobicContact CB-CD1 4.12Å
87	V	95.8	Very high	93.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.5	179	-174.8	0	0	0	0	109.3	L55 I61 I73 Y74 A76 V85 V89 I129 L130 V131	L55-V87 HydrophobicContact CD1-CG1 3.56Å; L55-V87 HydrophobicContact CD1-CG2 4.46Å; I61-V87 HydrophobicContact CD1-CB 4.02Å; I61-V87 HydrophobicContact CD1-CG1 4.11Å; I61-V87 HydrophobicContact CD1-CG2 3.83Å; I73-V87 CarbonylContact C-O 3.51Å; I73-V87 WeakPolarHBondContact CA-O 3.22Å; Y74-V87 PolarHBondContact N-O 3.25Å; Y74-V87 PolarHBondContact O-N 3.14Å; A76-V87 HydrophobicContact CB-CG2 3.47Å; A76-V87 VanDerWaalsContact CB-CG2 3.47Å; V85-V87 HydrophobicContact CG2-CG2 4.24Å; V87-V89 HydrophobicContact CG1-CG2 3.89Å; V87-I129 HydrophobicContact CG1-CG2 3.6Å; V87-L130 WeakPolarHBondContact CA-O 3.3Å; V87-V131 HydrophobicContact CG1-CG2 4.38Å; V87-V131 HydrophobicContact CG2-CG1 4.43Å; V87-V131 HydrophobicContact CG2-CG2 4.18Å
88	K	94.9	Very high	92.8	Very high	13 Å²	13	65.1 Å²	65.1	6%	0.057	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.5	171.6	-174.6	165.1	-171.4	-175.4	0	109	D72 I73 L99 E102 I129 L130 D199	D72-K88 WeakPolarHBondContact O-CA 3.21Å; I73-K88 HydrophobicContact CD1-CB 3.58Å; I73-K88 HydrophobicContact CD1-CD 3.72Å; I73-K88 HydrophobicContact CD1-CG 3.42Å; I73-K88 VanDerWaalsContact CD1-CG 3.42Å; K88-L99 HydrophobicContact CB-CD1 4.14Å; K88-L99 HydrophobicContact CD-CD1 3.57Å; K88-L99 HydrophobicContact CG-CD1 3.63Å; K88-L99 HydrophobicContact CG-CD2 4.42Å; K88-L99 WeakPolarHBondContact O-CD2 3.44Å; K88-E102 WeakPolarHBondContact CE-OE2 3.22Å; K88-E102 IonicContact NZ-OE1 3.33Å; K88-E102 PolarHBondContact NZ-OE1 2.76Å; K88-E102 IonicContact NZ-OE2 2.72Å; K88-E102 PolarHBondContact NZ-OE2 2.8Å; K88-I129 WeakPolarHBondContact O-CA 3.38Å; K88-L130 HydrophobicContact CB-CB 4.37Å; K88-L130 PolarHBondContact N-O 3.04Å; K88-L130 PolarHBondContact O-N 2.99Å; K88-D199 IonicContact NZ-OD1 2.6Å; K88-D199 PolarHBondContact NZ-OD1 3.15Å
89	V	92.9	Very high	92.7	Very high	4 Å²	4	65 Å²	65	2%	0.024	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.9	-176.2	-177.6	0	0	0	0	109.4	I39 V43 G71 D72 Y74 V87 C127	I39-V89 HydrophobicContact CG2-CG1 3.56Å; V43-V89 HydrophobicContact CG2-CG1 4.05Å; G71-V89 CarbonylContact C-O 3.43Å; G71-V89 WeakPolarHBondContact CA-O 3.32Å; D72-V89 PolarHBondContact N-O 2.82Å; D72-V89 PolarHBondContact O-N 3.49Å; Y74-V89 HydrophobicContact CD2-CG2 3.9Å; Y74-V89 HydrophobicContact CE2-CB 4.33Å; Y74-V89 HydrophobicContact CE2-CG2 4.08Å; V87-V89 HydrophobicContact CG1-CG2 3.89Å; V89-C127 HydrophobicContact CG1-CB 3.73Å
90	E	92.6	Very high	92.7	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.4	177	174.1	-178.4	-106.8	0	0	109.4	I92 P97 Q98 L99 C127 N128	E90-I92 PolarHBondContact O-N 3.12Å; E90-P97 WeakPolarHBondContact OE1-CA 3.5Å; E90-Q98 PolarHBondContact OE1-N 2.85Å; E90-Q98 PolarHBondContact OE2-N 3.2Å; E90-Q98 VanDerWaalsContact OE2-N 3.16Å; E90-L99 HydrophobicContact CB-CB 3.95Å; E90-L99 HydrophobicContact CB-CD2 3.87Å; E90-L99 HydrophobicContact CG-CB 4.49Å; E90-L99 VanDerWaalsContact OE2-CB 3.26Å; E90-L99 WeakPolarHBondContact OE2-CB 3.35Å; E90-L99 PolarHBondContact OE2-N 2.87Å; E90-C127 CarbonylContact O-C 3.57Å; E90-C127 VanDerWaalsContact O-CA 3.29Å; E90-C127 WeakPolarHBondContact O-CA 3.5Å; E90-C127 WeakPolarHBondContact O-CB 3.35Å; E90-N128 HydrophobicContact CB-CB 4.5Å; E90-N128 PolarHBondContact N-O 3.22Å; E90-N128 PolarHBondContact O-N 3.08Å
91	S	90.7	Very high	92.7	Very high	30 Å²	30	63.8 Å²	63.8	21%	0.21	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.4	174.8	-177.8	0	0	0	0	110.9	K93 S94	S91-K93 PolarHBondContact O-N 3.34Å; S91-K93 VanDerWaalsContact O-N 3.12Å; S91-K93 PolarHBondContact OG-N 3Å; S91-S94 WeakPolarHBondContact O-CB 3.41Å; S91-S94 PolarHBondContact O-N 3.19Å
92	I	88.9	Confident	92.7	Very high	99 Å²	99	59.3 Å²	59.3	51%	0.508	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.1	172.4	69.8	-177.1	0	0	0	112.5	E90 S94 G126	E90-I92 PolarHBondContact O-N 3.12Å; I92-S94 VanDerWaalsContact C-N 3.3Å; I92-G126 VanDerWaalsContact CG1-O 3.28Å; I92-G126 WeakPolarHBondContact CG1-O 3.48Å; I92-G126 WeakPolarHBondContact CG2-O 3.32Å; I92-G126 PolarHBondContact N-O 2.91Å; I92-G126 VanDerWaalsContact N-O 3.15Å
93	K	89.4	Confident	92.7	Very high	189 Å²	189	57 Å²	57	82%	0.822	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1.5	175.8	-59.4	-176.5	-179.7	-179.3	0	112.8	S91 R95	S91-K93 PolarHBondContact O-N 3.34Å; S91-K93 VanDerWaalsContact O-N 3.12Å; S91-K93 PolarHBondContact OG-N 3Å; K93-R95 PolarHBondContact O-N 3.34Å
94	S	87.3	Confident	92.8	Very high	38 Å²	38	59.2 Å²	59.2	27%	0.266	28%	0.278	S	S	.	.			trans	-55.5	135.5	176.3	179.3	0	0	0	0	110.2	S91 I92 H96 P97	S91-S94 WeakPolarHBondContact O-CB 3.41Å; S91-S94 PolarHBondContact O-N 3.19Å; I92-S94 VanDerWaalsContact C-N 3.3Å; S94-H96 PolarHBondContact O-N 3.23Å; S94-H96 PolarHBondContact OG-N 3.1Å; S94-P97 WeakPolarHBondContact O-CD 3.43Å
95	R	86.1	Confident	92.8	Very high	218 Å²	218	54.8 Å²	54.8	82%	0.823	26%	0.257	S	S	*	.	S	Bend	trans	-60.6	-27.8	178.9	-171.5	-179.3	177	175.2	-0.4	112.4	K93	K93-R95 PolarHBondContact O-N 3.34Å
96	H	84.6	Confident	92.8	Very high	110 Å²	110	54.9 Å²	54.9	51%	0.509	26%	0.258	S	S	.	.	S	Bend	trans	-138	77.3	-177	-58.9	-57.8	0	0	0	109.4	S94 Q98	S94-H96 PolarHBondContact O-N 3.23Å; S94-H96 PolarHBondContact OG-N 3.1Å; H96-Q98 PolarHBondContact O-N 2.77Å
97	P	88.7	Confident	92.8	Very high	81 Å²	81	61.7 Å²	61.7	53%	0.526	28%	0.281	S	S	.	.			trans	-69.1	129.3	-178.5	29.1	-33.3	0	0	0	110.4	E90 S94	E90-P97 WeakPolarHBondContact OE1-CA 3.5Å; S94-P97 WeakPolarHBondContact O-CD 3.43Å
98	Q	91.2	Very high	92.8	Very high	31 Å²	31	66.6 Å²	66.6	15%	0.145	31%	0.307	C	S	.	.			trans	-129	-17.2	-175.6	-68.2	-178	13.4	0	0	113.1	F70 E90 H96 Q100 Y101 E102 G201	F70-Q98 HydrophobicContact CD1-CG 4.45Å; F70-Q98 VanDerWaalsContact CZ-CD 3.5Å; E90-Q98 PolarHBondContact OE1-N 2.85Å; E90-Q98 PolarHBondContact OE2-N 3.2Å; E90-Q98 VanDerWaalsContact OE2-N 3.16Å; H96-Q98 PolarHBondContact O-N 2.77Å; Q98-Q100 VanDerWaalsContact C-N 3.3Å; Q98-Q100 PolarHBondContact O-N 2.99Å; Q98-Y101 WeakPolarHBondContact O-CB 3.46Å; Q98-Y101 PolarHBondContact O-N 3.44Å; Q98-E102 WeakPolarHBondContact O-CB 3.45Å; Q98-E102 PolarHBondContact O-N 3.37Å; Q98-G201 PolarHBondContact OE1-O 3.2Å; Q98-G201 VanDerWaalsContact OE1-O 3.07Å
99	L	93.6	Very high	92.9	Very high	1 Å²	1	66 Å²	66	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-31.9	-168.1	-164.5	61.2	0	0	0	113.1	K88 E90 E102 S103 Y121 N128 L130	K88-L99 HydrophobicContact CB-CD1 4.14Å; K88-L99 HydrophobicContact CD-CD1 3.57Å; K88-L99 HydrophobicContact CG-CD1 3.63Å; K88-L99 HydrophobicContact CG-CD2 4.42Å; K88-L99 WeakPolarHBondContact O-CD2 3.44Å; E90-L99 HydrophobicContact CB-CB 3.95Å; E90-L99 HydrophobicContact CB-CD2 3.87Å; E90-L99 HydrophobicContact CG-CB 4.49Å; E90-L99 VanDerWaalsContact OE2-CB 3.26Å; E90-L99 WeakPolarHBondContact OE2-CB 3.35Å; E90-L99 PolarHBondContact OE2-N 2.87Å; L99-E102 WeakPolarHBondContact CD1-OE2 3.46Å; L99-S103 WeakPolarHBondContact O-CB 3.45Å; L99-S103 PolarHBondContact O-N 3.17Å; L99-S103 PolarHBondContact O-OG 2.99Å; L99-Y121 HydrophobicContact CG-CE2 4.23Å; L99-N128 HydrophobicContact CB-CB 4.25Å; L99-N128 HydrophobicContact CD2-CB 4.02Å; L99-N128 VanDerWaalsContact CD2-O 3.28Å; L99-N128 WeakPolarHBondContact CD2-O 3.1Å; L99-L130 HydrophobicContact CD1-CB 3.77Å; L99-L130 HydrophobicContact CD1-CD2 3.8Å; L99-L130 HydrophobicContact CD1-CG 4.46Å; L99-L130 HydrophobicContact CD2-CB 4.03Å; L99-L130 HydrophobicContact CG-CB 3.94Å
100	Q	94.9	Very high	93.1	Very high	108 Å²	108	68.6 Å²	68.6	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-65.8	-40.1	172.6	-164.8	-173.6	19.9	0	0	112.4	Q98 S103 K104 Y121	Q98-Q100 VanDerWaalsContact C-N 3.3Å; Q98-Q100 PolarHBondContact O-N 2.99Å; Q100-S103 PolarHBondContact O-OG 3.48Å; Q100-K104 WeakPolarHBondContact O-CG 3.15Å; Q100-K104 PolarHBondContact O-N 3.38Å; Q100-Y121 VanDerWaalsContact CA-OH 3.3Å; Q100-Y121 WeakPolarHBondContact CA-OH 3.38Å; Q100-Y121 WeakPolarHBondContact CB-OH 3.17Å; Q100-Y121 HydrophobicContact CG-CE1 4.11Å; Q100-Y121 WeakPolarHBondContact CG-OH 3.45Å
101	Y	95.5	Very high	93.2	Very high	91 Å²	91	72.1 Å²	72.1	36%	0.357	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-48.1	176.7	173	-98.9	0	0	0	110	Q98 S103 K104 V105 A203	Q98-Y101 WeakPolarHBondContact O-CB 3.46Å; Q98-Y101 PolarHBondContact O-N 3.44Å; Y101-S103 VanDerWaalsContact C-N 3.31Å; Y101-S103 PolarHBondContact O-N 2.94Å; Y101-K104 WeakPolarHBondContact O-CB 3.2Å; Y101-K104 PolarHBondContact O-N 2.96Å; Y101-K104 VanDerWaalsContact O-N 3.1Å; Y101-V105 HydrophobicContact CD1-CG2 4.13Å; Y101-V105 HydrophobicContact CE1-CG2 3.63Å; Y101-V105 HydrophobicContact CE2-CG2 4.18Å; Y101-V105 WeakPolarHBondContact O-CG2 3.39Å; Y101-V105 PolarHBondContact O-N 3.36Å; Y101-A203 VanDerWaalsContact CE1-O 3.3Å; Y101-A203 WeakPolarHBondContact CE1-O 3.49Å; Y101-A203 PolarHBondContact OH-O 3.48Å
102	E	95.9	Very high	93.5	Very high	3 Å²	3	71.2 Å²	71.2	1%	0.014	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-43.8	178.2	-170.1	-177.2	-179.7	0	0	111.6	K88 Q98 L99 K104 V105 Y106 D199 Y200	K88-E102 WeakPolarHBondContact CE-OE2 3.22Å; K88-E102 IonicContact NZ-OE1 3.33Å; K88-E102 PolarHBondContact NZ-OE1 2.76Å; K88-E102 IonicContact NZ-OE2 2.72Å; K88-E102 PolarHBondContact NZ-OE2 2.8Å; Q98-E102 WeakPolarHBondContact O-CB 3.45Å; Q98-E102 PolarHBondContact O-N 3.37Å; L99-E102 WeakPolarHBondContact CD1-OE2 3.46Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 3.18Å; E102-V105 PolarHBondContact O-N 2.67Å; E102-V105 VanDerWaalsContact O-N 3.15Å; E102-Y106 HydrophobicContact CG-CD2 3.84Å; E102-Y106 HydrophobicContact CG-CE2 3.55Å; E102-Y106 VanDerWaalsContact O-CD2 3.28Å; E102-Y106 WeakPolarHBondContact O-CD2 3.24Å; E102-Y106 PolarHBondContact O-N 2.95Å; E102-Y106 WeakPolarHBondContact OE1-CE2 3.39Å; E102-D199 WeakPolarHBondContact OE1-CA 3.19Å; E102-Y200 PolarHBondContact OE1-N 2.81Å
103	S	96.2	Very high	93.9	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-36.8	177.7	76.2	0	0	0	0	112.9	L99 Q100 Y101 R107 Y121	L99-S103 WeakPolarHBondContact O-CB 3.45Å; L99-S103 PolarHBondContact O-N 3.17Å; L99-S103 PolarHBondContact O-OG 2.99Å; Q100-S103 PolarHBondContact O-OG 3.48Å; Y101-S103 VanDerWaalsContact C-N 3.31Å; Y101-S103 PolarHBondContact O-N 2.94Å; S103-R107 WeakPolarHBondContact O-CG 3.36Å; S103-R107 PolarHBondContact O-N 2.75Å; S103-R107 VanDerWaalsContact O-N 3.09Å; S103-Y121 VanDerWaalsContact CB-CD2 3.5Å; S103-Y121 WeakPolarHBondContact OG-CD2 3.38Å
104	K	96.9	Very high	94.3	Very high	118 Å²	118	62.4 Å²	62.4	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-65.9	-41.7	172.8	-69.7	173	-178.3	176.1	0	111.5	Q100 Y101 E102 R107 L108	Q100-K104 WeakPolarHBondContact O-CG 3.15Å; Q100-K104 PolarHBondContact O-N 3.38Å; Y101-K104 WeakPolarHBondContact O-CB 3.2Å; Y101-K104 PolarHBondContact O-N 2.96Å; Y101-K104 VanDerWaalsContact O-N 3.1Å; E102-K104 VanDerWaalsContact C-N 3.33Å; E102-K104 PolarHBondContact O-N 3.18Å; K104-R107 PolarHBondContact O-N 2.99Å; K104-L108 WeakPolarHBondContact O-CG 3.03Å; K104-L108 PolarHBondContact O-N 3.09Å; K104-L108 VanDerWaalsContact O-N 3.17Å
105	V	97.2	Very high	94.8	Very high	2 Å²	2	61 Å²	61	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-49.9	176.2	177.9	0	0	0	0	110.3	Y101 E102 R107 L108 L109 F174 Y200	Y101-V105 HydrophobicContact CD1-CG2 4.13Å; Y101-V105 HydrophobicContact CE1-CG2 3.63Å; Y101-V105 HydrophobicContact CE2-CG2 4.18Å; Y101-V105 WeakPolarHBondContact O-CG2 3.39Å; Y101-V105 PolarHBondContact O-N 3.36Å; E102-V105 PolarHBondContact O-N 2.67Å; E102-V105 VanDerWaalsContact O-N 3.15Å; V105-R107 VanDerWaalsContact C-N 3.27Å; V105-R107 PolarHBondContact O-N 2.63Å; V105-L108 WeakPolarHBondContact O-CB 3.2Å; V105-L108 PolarHBondContact O-N 2.8Å; V105-L109 HydrophobicContact CG1-CD1 3.73Å; V105-L109 HydrophobicContact CG1-CG 4.21Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.02Å; V105-L109 PolarHBondContact O-N 2.82Å; V105-L109 VanDerWaalsContact O-N 3.1Å; V105-F174 HydrophobicContact CG2-CD1 4.4Å; V105-F174 HydrophobicContact CG2-CE1 3.93Å; V105-F174 HydrophobicContact CG2-CZ 4.43Å; V105-Y200 HydrophobicContact CG1-CD1 4.49Å; V105-Y200 HydrophobicContact CG1-CD2 4.26Å; V105-Y200 HydrophobicContact CG1-CG 3.94Å
106	Y	97.7	Very high	95.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-54.7	-41.6	175.9	-83.6	-69.6	0	0	0	112.8	E102 L108 L109 Q110 V115 P116 I118 L130 M132 D199 Y200	E102-Y106 HydrophobicContact CG-CD2 3.84Å; E102-Y106 HydrophobicContact CG-CE2 3.55Å; E102-Y106 VanDerWaalsContact O-CD2 3.28Å; E102-Y106 WeakPolarHBondContact O-CD2 3.24Å; E102-Y106 PolarHBondContact O-N 2.95Å; E102-Y106 WeakPolarHBondContact OE1-CE2 3.39Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 2.98Å; Y106-L109 PolarHBondContact O-N 3.38Å; Y106-L109 VanDerWaalsContact O-N 3.17Å; Y106-Q110 WeakPolarHBondContact O-CG 3.31Å; Y106-Q110 PolarHBondContact O-N 3.38Å; Y106-Q110 VanDerWaalsContact O-N 3.12Å; Y106-Q110 PolarHBondContact O-NE2 3.07Å; Y106-V115 HydrophobicContact CD1-CG1 4.23Å; Y106-P116 HydrophobicContact CE1-CG 4.15Å; Y106-I118 HydrophobicContact CD1-CD1 4.11Å; Y106-I118 HydrophobicContact CD1-CG1 4.46Å; Y106-I118 HydrophobicContact CD2-CD1 3.81Å; Y106-I118 HydrophobicContact CD2-CG1 4.36Å; Y106-I118 HydrophobicContact CE2-CD1 4.38Å; Y106-I118 HydrophobicContact CG-CD1 3.67Å; Y106-I118 HydrophobicContact CG-CG1 3.89Å; Y106-L130 HydrophobicContact CD2-CD2 3.95Å; Y106-L130 HydrophobicContact CE2-CD2 3.98Å; Y106-M132 HydrophobicContact CE2-CE 3.99Å; Y106-D199 PolarHBondContact OH-N 3.42Å; Y106-Y200 AromaticContact CD1-CD2 3.67Å; Y106-Y200 HydrophobicContact CD1-CD2 3.67Å; Y106-Y200 AromaticContact CD1-CE2 3.51Å; Y106-Y200 HydrophobicContact CD1-CE2 3.51Å; Y106-Y200 HydrophobicContact CD2-CD2 4.13Å; Y106-Y200 AromaticContact CE1-CD2 3.46Å; Y106-Y200 HydrophobicContact CE1-CD2 3.46Å; Y106-Y200 VanDerWaalsContact CE1-CD2 3.46Å; Y106-Y200 AromaticContact CE1-CE2 3.25Å; Y106-Y200 HydrophobicContact CE1-CE2 3.25Å; Y106-Y200 AromaticContact CE2-CD2 3.97Å; Y106-Y200 HydrophobicContact CE2-CD2 3.97Å; Y106-Y200 AromaticContact CG-CD2 3.97Å; Y106-Y200 HydrophobicContact CG-CD2 3.97Å; Y106-Y200 HydrophobicContact CG-CE2 4.25Å; Y106-Y200 AromaticContact CZ-CD2 3.6Å; Y106-Y200 AromaticContact CZ-CE2 3.85Å
107	R	97	Very high	95.9	Very high	152 Å²	152	50.2 Å²	50.2	57%	0.574	26%	0.26	S	S	*	.	H	α-helix	trans	-59.7	-41.8	176.6	-75.5	179.2	-171.9	-157.8	3.7	112.3	S103 K104 V105 L109 Q110	S103-R107 WeakPolarHBondContact O-CG 3.36Å; S103-R107 PolarHBondContact O-N 2.75Å; S103-R107 VanDerWaalsContact O-N 3.09Å; K104-R107 PolarHBondContact O-N 2.99Å; V105-R107 VanDerWaalsContact C-N 3.27Å; V105-R107 PolarHBondContact O-N 2.63Å; R107-L109 VanDerWaalsContact C-N 3.27Å; R107-L109 PolarHBondContact O-N 3.46Å; R107-Q110 WeakPolarHBondContact O-CG 3.31Å; R107-Q110 PolarHBondContact O-N 2.77Å
108	L	96.7	Very high	96.3	Very high	103 Å²	103	47.8 Å²	47.8	54%	0.539	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-26.5	177.1	-67.9	170.7	0	0	0	113.2	K104 V105 Y106 F174	K104-L108 WeakPolarHBondContact O-CG 3.03Å; K104-L108 PolarHBondContact O-N 3.09Å; K104-L108 VanDerWaalsContact O-N 3.17Å; V105-L108 WeakPolarHBondContact O-CB 3.2Å; V105-L108 PolarHBondContact O-N 2.8Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 2.98Å; L108-F174 HydrophobicContact CD1-CE2 3.97Å; L108-F174 HydrophobicContact CD1-CZ 3.85Å
109	L	97.5	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-90.8	-7.4	-178.5	-61.8	179.7	0	0	0	113.9	V105 Y106 R107 G112 V115 F168 L169 K172 Y200	V105-L109 HydrophobicContact CG1-CD1 3.73Å; V105-L109 HydrophobicContact CG1-CG 4.21Å; V105-L109 VanDerWaalsContact O-CG 3.3Å; V105-L109 WeakPolarHBondContact O-CG 3.02Å; V105-L109 PolarHBondContact O-N 2.82Å; V105-L109 VanDerWaalsContact O-N 3.1Å; Y106-L109 PolarHBondContact O-N 3.38Å; Y106-L109 VanDerWaalsContact O-N 3.17Å; R107-L109 VanDerWaalsContact C-N 3.27Å; R107-L109 PolarHBondContact O-N 3.46Å; L109-G112 PolarHBondContact O-N 3.06Å; L109-G112 VanDerWaalsContact O-N 3.16Å; L109-V115 HydrophobicContact CB-CG1 3.88Å; L109-V115 HydrophobicContact CB-CG2 4.25Å; L109-F168 HydrophobicContact CB-CE1 4.22Å; L109-F168 HydrophobicContact CD2-CE1 4.13Å; L109-F168 WeakPolarHBondContact O-CE1 3.21Å; L109-L169 HydrophobicContact CD1-CD1 3.6Å; L109-L169 HydrophobicContact CD2-CD1 3.93Å; L109-L169 HydrophobicContact CG-CD1 4.4Å; L109-K172 HydrophobicContact CD2-CB 3.54Å; L109-K172 HydrophobicContact CD2-CD 4.49Å; L109-K172 HydrophobicContact CD2-CG 3.63Å; L109-Y200 HydrophobicContact CD1-CD1 4.21Å; L109-Y200 HydrophobicContact CD1-CD2 3.98Å; L109-Y200 HydrophobicContact CD1-CE1 3.82Å; L109-Y200 HydrophobicContact CD1-CE2 3.54Å; L109-Y200 HydrophobicContact CD1-CG 4.29Å; L109-Y200 VanDerWaalsContact CD1-CZ 3.45Å
110	Q	97.5	Very high	96.7	Very high	59 Å²	59	52.4 Å²	52.4	28%	0.276	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	145.4	179	-66.2	-58.6	-67.4	0	0	111.8	Y106 R107 G112 P116 H117	Y106-Q110 WeakPolarHBondContact O-CG 3.31Å; Y106-Q110 PolarHBondContact O-N 3.38Å; Y106-Q110 VanDerWaalsContact O-N 3.12Å; Y106-Q110 PolarHBondContact O-NE2 3.07Å; R107-Q110 WeakPolarHBondContact O-CG 3.31Å; R107-Q110 PolarHBondContact O-N 2.77Å; Q110-G112 VanDerWaalsContact C-N 3.28Å; Q110-P116 PolarHBondContact NE2-O 2.9Å; Q110-H117 PolarHBondContact OE1-CD2 3.05Å
111	G	94.6	Very high	96.7	Very high	77 Å²	77	49.2 Å²	49.2	79%	0.794	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-8.2	-172.3	0	0	0	0	0	114.6
112	G	97	Very high	96.7	Very high	11 Å²	11	45.6 Å²	45.6	11%	0.113	23%	0.234	C	C	.	.			trans	-73.3	140.4	173.7	0	0	0	0	0	113.8	L109 Q110 G114 V115	L109-G112 PolarHBondContact O-N 3.06Å; L109-G112 VanDerWaalsContact O-N 3.16Å; Q110-G112 VanDerWaalsContact C-N 3.28Å; G112-G114 PolarHBondContact O-N 2.96Å; G112-V115 PolarHBondContact O-N 3.4Å
113	I	96.9	Very high	96.6	Very high	101 Å²	101	48.2 Å²	48.2	52%	0.518	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	124.2	172.4	-57.8	175.7	0	0	0	109.1	R165	I113-R165 WeakPolarHBondContact O-CD 3.35Å; I113-R165 PolarHBondContact O-NE 2.84Å; I113-R165 PolarHBondContact O-NH1 2.89Å; I113-R165 VanDerWaalsContact O-NH1 3.08Å
114	G	97.3	Very high	96.5	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.021	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	24.2	179.8	0	0	0	0	0	113.7	G112 F196 L197	G112-G114 PolarHBondContact O-N 2.96Å; G114-F196 VanDerWaalsContact CA-CD1 3.5Å; G114-F196 WeakPolarHBondContact O-CA 3.41Å; G114-F196 WeakPolarHBondContact O-CD1 3.42Å; G114-L197 PolarHBondContact O-N 3.32Å; G114-L197 VanDerWaalsContact O-N 3.15Å
115	V	97.9	Very high	96	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.048	27%	0.265	C	S	.	.			trans	-106.7	124.8	166.3	-178.5	0	0	0	0	108.2	Y106 L109 G112 F168	Y106-V115 HydrophobicContact CD1-CG1 4.23Å; L109-V115 HydrophobicContact CB-CG1 3.88Å; L109-V115 HydrophobicContact CB-CG2 4.25Å; G112-V115 PolarHBondContact O-N 3.4Å; V115-F168 HydrophobicContact CG2-CD1 4.05Å; V115-F168 HydrophobicContact CG2-CE1 3.8Å
116	P	96.8	Very high	95.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61.5	143.9	174.4	-19.3	29.9	0	0	0	112.2	Y106 Q110 D133 L135 F196 I198	Y106-P116 HydrophobicContact CE1-CG 4.15Å; Q110-P116 PolarHBondContact NE2-O 2.9Å; P116-D133 HydrophobicContact CB-CB 4.34Å; P116-L135 HydrophobicContact CG-CD1 4.01Å; P116-F196 HydrophobicContact CG-CD1 4.22Å; P116-I198 HydrophobicContact CG-CG2 3.8Å
117	H	96.8	Very high	95.4	Very high	100 Å²	100	50.8 Å²	50.8	46%	0.463	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-76.2	137.2	171.6	-57.7	89	0	0	0	110.6	Q110 M132 D133	Q110-H117 PolarHBondContact OE1-CD2 3.05Å; H117-M132 CarbonylContact O-C 3.38Å; H117-M132 WeakPolarHBondContact O-CA 3.49Å; H117-M132 WeakPolarHBondContact O-CB 3.13Å; H117-D133 WeakPolarHBondContact CB-OD2 3.4Å; H117-D133 IonicContact CE1-OD2 2.7Å; H117-D133 IonicContact CG-OD2 3.88Å; H117-D133 PolarHBondContact N-OD2 2.87Å; H117-D133 IonicContact ND1-OD2 2.7Å; H117-D133 PolarHBondContact ND1-OD2 2.76Å; H117-D133 PolarHBondContact O-N 3.19Å
118	I	96.1	Very high	95.3	Very high	31 Å²	31	45 Å²	45	16%	0.159	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.3	169.9	-60	-51.9	0	0	0	108.6	Y106 L130 M132	Y106-I118 HydrophobicContact CD1-CD1 4.11Å; Y106-I118 HydrophobicContact CD1-CG1 4.46Å; Y106-I118 HydrophobicContact CD2-CD1 3.81Å; Y106-I118 HydrophobicContact CD2-CG1 4.36Å; Y106-I118 HydrophobicContact CE2-CD1 4.38Å; Y106-I118 HydrophobicContact CG-CD1 3.67Å; Y106-I118 HydrophobicContact CG-CG1 3.89Å; I118-L130 HydrophobicContact CD1-CD1 3.77Å; I118-L130 HydrophobicContact CD1-CD2 4.19Å; I118-L130 HydrophobicContact CD1-CG 4.09Å; I118-L130 HydrophobicContact CG1-CD1 4.26Å; I118-L130 HydrophobicContact CG2-CD1 3.58Å; I118-M132 HydrophobicContact CD1-CB 3.68Å; I118-M132 HydrophobicContact CD1-CE 4.09Å
119	K	96.1	Very high	95.2	Very high	58 Å²	58	40.1 Å²	40.1	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-36.6	-179.8	-60.6	175.2	-176.7	-75.5	0	111.4	E83 V85 V131 D133	E83-K119 IonicContact OE1-NZ 2.7Å; E83-K119 PolarHBondContact OE1-NZ 2.6Å; E83-K119 IonicContact OE2-NZ 2.99Å; E83-K119 PolarHBondContact OE2-NZ 3.04Å; V85-K119 HydrophobicContact CB-CD 4.2Å; V85-K119 HydrophobicContact CG1-CD 3.51Å; K119-V131 HydrophobicContact CB-CB 4.39Å; K119-V131 HydrophobicContact CB-CG1 4.07Å; K119-V131 HydrophobicContact CD-CG1 4.28Å; K119-V131 PolarHBondContact N-O 2.95Å; K119-D133 WeakPolarHBondContact CE-OD1 3.17Å; K119-D133 IonicContact NZ-OD1 3.21Å; K119-D133 PolarHBondContact NZ-OD1 2.8Å
120	W	97	Very high	95.1	Very high	71 Å²	71	40.1 Å²	40.1	27%	0.269	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	151.5	179.6	-175.7	84.4	0	0	0	111.8	A56 Y59 G122 E124 I129 V131	A56-W120 HydrophobicContact CB-CD2 3.91Å; A56-W120 HydrophobicContact CB-CE3 4.27Å; A56-W120 HydrophobicContact CB-CG 4.42Å; A56-W120 HydrophobicContact CB-CH2 4.07Å; A56-W120 HydrophobicContact CB-CZ2 3.73Å; A56-W120 HydrophobicContact CB-CZ3 4.32Å; Y59-W120 HydrophobicContact CE2-CB 3.97Å; Y59-W120 HydrophobicContact CE2-CG 4.45Å; W120-G122 VanDerWaalsContact CH2-CA 3.46Å; W120-E124 HydrophobicContact CH2-CG 4.13Å; W120-I129 HydrophobicContact CE3-CG2 4.23Å; W120-I129 HydrophobicContact CZ3-CB 3.75Å; W120-I129 HydrophobicContact CZ3-CG2 3.68Å; W120-V131 HydrophobicContact CB-CB 4.14Å; W120-V131 HydrophobicContact CB-CG2 4.29Å; W120-V131 HydrophobicContact CE3-CG2 3.92Å; W120-V131 PolarHBondContact N-O 2.78Å; W120-V131 PolarHBondContact O-N 2.95Å
121	Y	96.6	Very high	95.1	Very high	41 Å²	41	37.3 Å²	37.3	16%	0.161	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136	169	171.8	-91.6	0	0	0	108.9	L99 Q100 S103 N128 I129 L130	L99-Y121 HydrophobicContact CG-CE2 4.23Å; Q100-Y121 VanDerWaalsContact CA-OH 3.3Å; Q100-Y121 WeakPolarHBondContact CA-OH 3.38Å; Q100-Y121 WeakPolarHBondContact CB-OH 3.17Å; Q100-Y121 HydrophobicContact CG-CE1 4.11Å; Q100-Y121 WeakPolarHBondContact CG-OH 3.45Å; S103-Y121 VanDerWaalsContact CB-CD2 3.5Å; S103-Y121 WeakPolarHBondContact OG-CD2 3.38Å; Y121-N128 HydrophobicContact CE2-CB 4.46Å; Y121-N128 PolarHBondContact OH-OD1 2.72Å; Y121-I129 VanDerWaalsContact CA-O 3.31Å; Y121-I129 WeakPolarHBondContact CA-O 3.42Å; Y121-I129 VanDerWaalsContact CD2-O 3.27Å; Y121-I129 WeakPolarHBondContact CD2-O 3.46Å; Y121-L130 HydrophobicContact CD2-CB 4.22Å; Y121-L130 HydrophobicContact CD2-CD1 4.03Å; Y121-L130 HydrophobicContact CG-CD1 4.47Å
122	G	95.7	Very high	95.2	Very high	14 Å²	14	34.5 Å²	34.5	14%	0.144	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	179.5	177.2	0	0	0	0	0	112.7	W120 I129	W120-G122 VanDerWaalsContact CH2-CA 3.46Å; G122-I129 PolarHBondContact N-O 2.83Å; G122-I129 VanDerWaalsContact N-O 3.09Å; G122-I129 PolarHBondContact O-N 2.8Å
123	G	93.9	Very high	95.2	Very high	58 Å²	58	35.6 Å²	35.6	60%	0.598	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.9	175.4	0	0	0	0	0	110.6	C127	G123-C127 CarbonylContact C-O 3.54Å; G123-C127 VanDerWaalsContact CA-O 3.26Å; G123-C127 WeakPolarHBondContact CA-O 3.28Å
124	E	92.7	Very high	95.2	Very high	47 Å²	47	32.1 Å²	32.1	22%	0.22	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.7	173.4	-69.3	-177	-174.4	0	0	109.6	L55 A56 W120 G126 C127 I129	L55-E124 WeakPolarHBondContact CA-OE2 3.28Å; A56-E124 WeakPolarHBondContact CA-OE1 3.08Å; A56-E124 VanDerWaalsContact N-CD 3.28Å; A56-E124 PolarHBondContact N-OE1 3.04Å; A56-E124 PolarHBondContact N-OE2 3.07Å; W120-E124 HydrophobicContact CH2-CG 4.13Å; E124-G126 PolarHBondContact O-N 2.91Å; E124-G126 VanDerWaalsContact O-N 3.15Å; E124-C127 PolarHBondContact N-O 3.2Å; E124-C127 PolarHBondContact O-N 3.33Å; E124-C127 VanDerWaalsContact O-O 3.11Å; E124-I129 HydrophobicContact CB-CD1 3.96Å
125	Y	87.3	Confident	95.2	Very high	98 Å²	98	33.3 Å²	33.3	38%	0.384	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	45.2	175.6	-51.5	-78.4	0	0	0	112.9	N37 P38 I39 L55 C127	N37-Y125 VanDerWaalsContact CG-O 3.24Å; N37-Y125 PolarHBondContact ND2-O 3.46Å; N37-Y125 VanDerWaalsContact OD1-CB 3.28Å; N37-Y125 WeakPolarHBondContact OD1-CB 3.37Å; N37-Y125 PolarHBondContact OD1-O 3.46Å; P38-Y125 HydrophobicContact CG-CD1 4.23Å; P38-Y125 HydrophobicContact CG-CE1 4.23Å; I39-Y125 HydrophobicContact CD1-CD2 3.36Å; I39-Y125 HydrophobicContact CD1-CE2 4.2Å; I39-Y125 HydrophobicContact CD1-CG 3.94Å; I39-Y125 HydrophobicContact CG1-CD2 3.95Å; I39-Y125 HydrophobicContact CG1-CG 4.13Å; L55-Y125 HydrophobicContact CD2-CD2 4.31Å; L55-Y125 HydrophobicContact CD2-CE2 4.24Å; Y125-C127 PolarHBondContact O-N 3.39Å; Y125-C127 VanDerWaalsContact O-N 3.13Å; Y125-C127 PolarHBondContact O-SG 3.04Å
126	G	89.3	Confident	95.2	Very high	33 Å²	33	33.7 Å²	33.7	34%	0.34	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	21.6	179.9	0	0	0	0	0	115	I92 E124	I92-G126 VanDerWaalsContact CG1-O 3.28Å; I92-G126 WeakPolarHBondContact CG1-O 3.48Å; I92-G126 WeakPolarHBondContact CG2-O 3.32Å; I92-G126 PolarHBondContact N-O 2.91Å; I92-G126 VanDerWaalsContact N-O 3.15Å; E124-G126 PolarHBondContact O-N 2.91Å; E124-G126 VanDerWaalsContact O-N 3.15Å
127	C	92.1	Very high	95.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146	178	-60.3	0	0	0	0	110.5	I39 V89 E90 G123 E124 Y125 I129	I39-C127 HydrophobicContact CG2-CB 4.22Å; I39-C127 VanDerWaalsContact CG2-SG 3.58Å; V89-C127 HydrophobicContact CG1-CB 3.73Å; E90-C127 CarbonylContact O-C 3.57Å; E90-C127 VanDerWaalsContact O-CA 3.29Å; E90-C127 WeakPolarHBondContact O-CA 3.5Å; E90-C127 WeakPolarHBondContact O-CB 3.35Å; G123-C127 CarbonylContact C-O 3.54Å; G123-C127 VanDerWaalsContact CA-O 3.26Å; G123-C127 WeakPolarHBondContact CA-O 3.28Å; E124-C127 PolarHBondContact N-O 3.2Å; E124-C127 PolarHBondContact O-N 3.33Å; E124-C127 VanDerWaalsContact O-O 3.11Å; Y125-C127 PolarHBondContact O-N 3.39Å; Y125-C127 VanDerWaalsContact O-N 3.13Å; Y125-C127 PolarHBondContact O-SG 3.04Å; C127-I129 HydrophobicContact CB-CG1 4.31Å
128	N	94.4	Very high	95.1	Very high	31 Å²	31	30.3 Å²	30.3	17%	0.166	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139	159.4	-67.1	-47.2	0	0	0	108.4	E90 L99 Y121	E90-N128 HydrophobicContact CB-CB 4.5Å; E90-N128 PolarHBondContact N-O 3.22Å; E90-N128 PolarHBondContact O-N 3.08Å; L99-N128 HydrophobicContact CB-CB 4.25Å; L99-N128 HydrophobicContact CD2-CB 4.02Å; L99-N128 VanDerWaalsContact CD2-O 3.28Å; L99-N128 WeakPolarHBondContact CD2-O 3.1Å; Y121-N128 HydrophobicContact CE2-CB 4.46Å; Y121-N128 PolarHBondContact OH-OD1 2.72Å
129	I	95.2	Very high	95.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.4	-173.8	-60.2	-179.6	0	0	0	109.1	I39 L55 V87 K88 W120 Y121 G122 E124 C127 V131	I39-I129 HydrophobicContact CD1-CD1 3.86Å; L55-I129 HydrophobicContact CD1-CD1 4.01Å; L55-I129 HydrophobicContact CD1-CG2 3.88Å; L55-I129 HydrophobicContact CD2-CD1 3.65Å; L55-I129 HydrophobicContact CG-CD1 4.36Å; V87-I129 HydrophobicContact CG1-CG2 3.6Å; K88-I129 WeakPolarHBondContact O-CA 3.38Å; W120-I129 HydrophobicContact CE3-CG2 4.23Å; W120-I129 HydrophobicContact CZ3-CB 3.75Å; W120-I129 HydrophobicContact CZ3-CG2 3.68Å; Y121-I129 VanDerWaalsContact CA-O 3.31Å; Y121-I129 WeakPolarHBondContact CA-O 3.42Å; Y121-I129 VanDerWaalsContact CD2-O 3.27Å; Y121-I129 WeakPolarHBondContact CD2-O 3.46Å; G122-I129 PolarHBondContact N-O 2.83Å; G122-I129 VanDerWaalsContact N-O 3.09Å; G122-I129 PolarHBondContact O-N 2.8Å; E124-I129 HydrophobicContact CB-CD1 3.96Å; C127-I129 HydrophobicContact CB-CG1 4.31Å; I129-V131 HydrophobicContact CG2-CG2 4.28Å
130	L	96	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.9	176.2	-178.4	62.5	0	0	0	109.5	V87 K88 L99 Y106 I118 Y121 M132	V87-L130 WeakPolarHBondContact CA-O 3.3Å; K88-L130 HydrophobicContact CB-CB 4.37Å; K88-L130 PolarHBondContact N-O 3.04Å; K88-L130 PolarHBondContact O-N 2.99Å; L99-L130 HydrophobicContact CD1-CB 3.77Å; L99-L130 HydrophobicContact CD1-CD2 3.8Å; L99-L130 HydrophobicContact CD1-CG 4.46Å; L99-L130 HydrophobicContact CD2-CB 4.03Å; L99-L130 HydrophobicContact CG-CB 3.94Å; Y106-L130 HydrophobicContact CD2-CD2 3.95Å; Y106-L130 HydrophobicContact CE2-CD2 3.98Å; I118-L130 HydrophobicContact CD1-CD1 3.77Å; I118-L130 HydrophobicContact CD1-CD2 4.19Å; I118-L130 HydrophobicContact CD1-CG 4.09Å; I118-L130 HydrophobicContact CG1-CD1 4.26Å; I118-L130 HydrophobicContact CG2-CD1 3.58Å; Y121-L130 HydrophobicContact CD2-CB 4.22Å; Y121-L130 HydrophobicContact CD2-CD1 4.03Å; Y121-L130 HydrophobicContact CG-CD1 4.47Å; L130-M132 HydrophobicContact CB-CE 4.34Å; L130-M132 HydrophobicContact CD2-CE 3.25Å; L130-M132 HydrophobicContact CG-CE 3.48Å; L130-M132 VanDerWaalsContact CG-CE 3.48Å
131	V	97	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.7	177.6	-174.3	0	0	0	0	108.9	Y59 V85 A86 V87 K119 W120 I129	Y59-V131 HydrophobicContact CD1-CG1 3.99Å; Y59-V131 HydrophobicContact CD2-CG1 4.28Å; Y59-V131 HydrophobicContact CD2-CG2 3.92Å; Y59-V131 HydrophobicContact CE1-CG1 3.87Å; Y59-V131 HydrophobicContact CE2-CB 4.38Å; Y59-V131 HydrophobicContact CE2-CG1 4.17Å; Y59-V131 HydrophobicContact CE2-CG2 4.09Å; Y59-V131 HydrophobicContact CG-CG1 4.19Å; Y59-V131 HydrophobicContact CG-CG2 4.36Å; V85-V131 HydrophobicContact CB-CG1 3.98Å; V85-V131 HydrophobicContact CG2-CG1 3.62Å; A86-V131 WeakPolarHBondContact O-CA 3.48Å; V87-V131 HydrophobicContact CG1-CG2 4.38Å; V87-V131 HydrophobicContact CG2-CG1 4.43Å; V87-V131 HydrophobicContact CG2-CG2 4.18Å; K119-V131 HydrophobicContact CB-CB 4.39Å; K119-V131 HydrophobicContact CB-CG1 4.07Å; K119-V131 HydrophobicContact CD-CG1 4.28Å; K119-V131 PolarHBondContact N-O 2.95Å; W120-V131 HydrophobicContact CB-CB 4.14Å; W120-V131 HydrophobicContact CB-CG2 4.29Å; W120-V131 HydrophobicContact CE3-CG2 3.92Å; W120-V131 PolarHBondContact N-O 2.78Å; W120-V131 PolarHBondContact O-N 2.95Å; I129-V131 HydrophobicContact CG2-CG2 4.28Å
132	M	97.3	Very high	95.4	Very high	18 Å²	18	25.2 Å²	25.2	9%	0.089	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	172.3	-175.6	65.4	-175.2	70.5	0	0	112.2	A86 Y106 H117 I118 L130 L134	A86-M132 HydrophobicContact CB-CG 4.08Å; A86-M132 PolarHBondContact N-O 3.04Å; A86-M132 PolarHBondContact O-N 3.39Å; Y106-M132 HydrophobicContact CE2-CE 3.99Å; H117-M132 CarbonylContact O-C 3.38Å; H117-M132 WeakPolarHBondContact O-CA 3.49Å; H117-M132 WeakPolarHBondContact O-CB 3.13Å; I118-M132 HydrophobicContact CD1-CB 3.68Å; I118-M132 HydrophobicContact CD1-CE 4.09Å; L130-M132 HydrophobicContact CB-CE 4.34Å; L130-M132 HydrophobicContact CD2-CE 3.25Å; L130-M132 HydrophobicContact CG-CE 3.48Å; L130-M132 VanDerWaalsContact CG-CE 3.48Å; M132-L134 PolarHBondContact O-N 2.63Å
133	D	96.8	Very high	95.5	Very high	33 Å²	33	24.5 Å²	24.5	18%	0.176	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	134.2	173	-67.9	-17.7	0	0	0	111.4	P116 H117 K119	P116-D133 HydrophobicContact CB-CB 4.34Å; H117-D133 WeakPolarHBondContact CB-OD2 3.4Å; H117-D133 IonicContact CE1-OD2 2.7Å; H117-D133 IonicContact CG-OD2 3.88Å; H117-D133 PolarHBondContact N-OD2 2.87Å; H117-D133 IonicContact ND1-OD2 2.7Å; H117-D133 PolarHBondContact ND1-OD2 2.76Å; H117-D133 PolarHBondContact O-N 3.19Å; K119-D133 WeakPolarHBondContact CE-OD1 3.17Å; K119-D133 IonicContact NZ-OD1 3.21Å; K119-D133 PolarHBondContact NZ-OD1 2.8Å
134	L	97.4	Very high	95.7	Very high	28 Å²	28	25.3 Å²	25.3	15%	0.147	14%	0.139	C	C	.	.			trans	-72.3	130.5	167.9	-176.9	67.2	0	0	0	109.4	I65 L75 E84 A86 M132 I188	I65-L134 HydrophobicContact CD1-CD1 3.78Å; L75-L134 HydrophobicContact CD1-CD1 4.28Å; L75-L134 HydrophobicContact CD1-CD2 3.64Å; E84-L134 HydrophobicContact CB-CD2 3.78Å; A86-L134 HydrophobicContact CB-CD1 4.12Å; M132-L134 PolarHBondContact O-N 2.63Å; L134-I188 HydrophobicContact CB-CD1 4.39Å; L134-I188 WeakPolarHBondContact O-CD1 3.36Å
135	L	97.1	Very high	95.9	Very high	27 Å²	27	27.8 Å²	27.8	14%	0.141	15%	0.149	C	C	.	.			trans	-110	171.6	175.8	-62.8	-174.6	0	0	0	111.5	P116 L185 F196 I198	P116-L135 HydrophobicContact CG-CD1 4.01Å; L135-L185 HydrophobicContact CB-CB 4.12Å; L135-L185 HydrophobicContact CB-CD2 3.84Å; L135-L185 HydrophobicContact CD1-CB 3.85Å; L135-L185 HydrophobicContact CD1-CD2 4.14Å; L135-F196 HydrophobicContact CD1-CB 3.59Å; L135-F196 HydrophobicContact CD1-CD1 4.19Å; L135-F196 HydrophobicContact CD1-CD2 4.36Å; L135-F196 HydrophobicContact CD1-CG 3.81Å; L135-F196 HydrophobicContact CD2-CD1 3.95Å; L135-F196 HydrophobicContact CD2-CD2 3.94Å; L135-F196 HydrophobicContact CD2-CE1 4.05Å; L135-F196 HydrophobicContact CD2-CE2 4.05Å; L135-F196 HydrophobicContact CD2-CG 3.9Å; L135-F196 HydrophobicContact CD2-CZ 4.1Å; L135-I198 HydrophobicContact CD1-CG2 3.81Å
136	G	96.5	Very high	96.3	Very high	16 Å²	16	23.6 Å²	23.6	17%	0.165	14%	0.135	C	C	.	.			trans	-82.8	-162.1	175.6	0	0	0	0	0	112.5	L185 M186	G136-L185 WeakPolarHBondContact O-CD2 3.31Å; G136-M186 WeakPolarHBondContact CA-O 3.43Å; G136-M186 PolarHBondContact N-O 2.7Å
137	P	96.1	Very high	96.7	Very high	22 Å²	22	26.9 Å²	26.9	14%	0.143	15%	0.152	C	C	.	.			trans	-67.1	153.5	-177.4	28.7	-35.5	0	0	0	112.5	A8 D141 L142 M186	A8-P137 HydrophobicContact CB-CB 4.31Å; A8-P137 HydrophobicContact CB-CG 4.43Å; P137-D141 HydrophobicContact CB-CB 3.95Å; P137-L142 HydrophobicContact CB-CD2 4.24Å; P137-L142 HydrophobicContact CB-CG 4.09Å; P137-L142 HydrophobicContact CG-CD1 4.11Å; P137-L142 HydrophobicContact CG-CD2 3.58Å; P137-L142 HydrophobicContact CG-CG 3.77Å; P137-M186 PolarHBondContact O-N 2.96Å; P137-M186 VanDerWaalsContact O-N 3.07Å
138	S	97.4	Very high	96.9	Very high	8 Å²	8	30.6 Å²	30.6	6%	0.056	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-71	164	170.6	71.6	0	0	0	0	111.5	E140 D141 L142 F184	S138-E140 PolarHBondContact O-N 2.8Å; S138-E140 PolarHBondContact OG-N 2.96Å; S138-D141 WeakPolarHBondContact CB-OD2 3.46Å; S138-D141 PolarHBondContact N-OD2 3.09Å; S138-D141 VanDerWaalsContact N-OD2 3.09Å; S138-D141 PolarHBondContact O-N 3.15Å; S138-D141 PolarHBondContact OG-N 3.24Å; S138-D141 VanDerWaalsContact OG-N 3.13Å; S138-D141 PolarHBondContact OG-OD2 3.14Å; S138-L142 WeakPolarHBondContact O-CG 3.42Å; S138-L142 PolarHBondContact O-N 2.93Å; S138-F184 CarbonylContact C-O 3.53Å; S138-F184 VanDerWaalsContact CA-O 3.31Å; S138-F184 WeakPolarHBondContact CA-O 3.33Å
139	L	98.5	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-28.5	172.7	-66	-174.2	0	0	0	112.2	L142 F143 L158 M162 P181 F184 M186 L195 F256 W340	L139-L142 HydrophobicContact CD2-CD1 4.2Å; L139-F143 WeakPolarHBondContact O-CB 3.27Å; L139-F143 PolarHBondContact O-N 3.01Å; L139-L158 HydrophobicContact CD1-CD1 4.14Å; L139-L158 HydrophobicContact CD1-CD2 4.11Å; L139-L158 HydrophobicContact CD2-CD1 3.97Å; L139-L158 HydrophobicContact CD2-CD2 3.68Å; L139-L158 HydrophobicContact CD2-CG 4.49Å; L139-M162 HydrophobicContact CD1-SD 4.27Å; L139-P181 HydrophobicContact CB-CB 4.19Å; L139-P181 PolarHBondContact N-O 2.78Å; L139-F184 HydrophobicContact CD1-CB 3.63Å; L139-F184 HydrophobicContact CD1-CG 4.33Å; L139-F184 HydrophobicContact CG-CB 3.79Å; L139-F184 PolarHBondContact N-O 3.39Å; L139-M186 HydrophobicContact CD2-SD 4.43Å; L139-L195 HydrophobicContact CD1-CD1 4.05Å; L139-L195 HydrophobicContact CD1-CD2 4.36Å; L139-L195 HydrophobicContact CD2-CD1 3.76Å; L139-L195 HydrophobicContact CG-CD1 3.95Å; L139-F256 HydrophobicContact CB-CE1 4.38Å; L139-F256 HydrophobicContact CB-CZ 3.77Å; L139-F256 HydrophobicContact CD1-CE2 4.06Å; L139-F256 HydrophobicContact CD1-CZ 3.95Å; L139-W340 HydrophobicContact CD2-CH2 4.3Å
140	E	98	Very high	97.2	Very high	22 Å²	22	39.7 Å²	39.7	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-42.6	172.7	-173.5	59.6	-153.8	0	0	111	S138 F143 N144 R148 P181 Y255	S138-E140 PolarHBondContact O-N 2.8Å; S138-E140 PolarHBondContact OG-N 2.96Å; E140-F143 PolarHBondContact O-N 3.41Å; E140-N144 PolarHBondContact O-N 2.86Å; E140-N144 PolarHBondContact O-ND2 3.45Å; E140-N144 PolarHBondContact OE1-ND2 3.13Å; E140-N144 VanDerWaalsContact OE1-ND2 3.14Å; E140-R148 IonicContact OE1-NH1 2.81Å; E140-R148 PolarHBondContact OE1-NH1 2.99Å; E140-R148 VanDerWaalsContact OE1-NH1 3.09Å; E140-P181 HydrophobicContact CB-CB 3.95Å; E140-Y255 VanDerWaalsContact CD-OH 3.31Å; E140-Y255 PolarHBondContact OE1-OH 2.73Å; E140-Y255 VanDerWaalsContact OE2-CE1 3.29Å; E140-Y255 WeakPolarHBondContact OE2-CE1 3.33Å; E140-Y255 PolarHBondContact OE2-OH 2.84Å
141	D	96.5	Very high	97.3	Very high	66 Å²	66	43 Å²	43	35%	0.353	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-45.4	176.6	-60.6	-47.6	0	0	0	110.9	P137 S138 F143 N144 F145	P137-D141 HydrophobicContact CB-CB 3.95Å; S138-D141 WeakPolarHBondContact CB-OD2 3.46Å; S138-D141 PolarHBondContact N-OD2 3.09Å; S138-D141 VanDerWaalsContact N-OD2 3.09Å; S138-D141 PolarHBondContact O-N 3.15Å; S138-D141 PolarHBondContact OG-N 3.24Å; S138-D141 VanDerWaalsContact OG-N 3.13Å; S138-D141 PolarHBondContact OG-OD2 3.14Å; D141-F143 VanDerWaalsContact C-N 3.33Å; D141-F143 PolarHBondContact O-N 2.92Å; D141-N144 PolarHBondContact O-N 2.87Å; D141-F145 WeakPolarHBondContact O-CB 3.38Å; D141-F145 PolarHBondContact O-N 3.15Å
142	L	98.1	Very high	97.4	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-35.7	177.1	-70	172	0	0	0	112.3	P137 S138 L139 F145 C146 F150 M186 W340	P137-L142 HydrophobicContact CB-CD2 4.24Å; P137-L142 HydrophobicContact CB-CG 4.09Å; P137-L142 HydrophobicContact CG-CD1 4.11Å; P137-L142 HydrophobicContact CG-CD2 3.58Å; P137-L142 HydrophobicContact CG-CG 3.77Å; S138-L142 WeakPolarHBondContact O-CG 3.42Å; S138-L142 PolarHBondContact O-N 2.93Å; L139-L142 HydrophobicContact CD2-CD1 4.2Å; L142-F145 WeakPolarHBondContact O-CB 3.48Å; L142-F145 PolarHBondContact O-N 2.85Å; L142-C146 WeakPolarHBondContact O-CB 3.23Å; L142-C146 PolarHBondContact O-N 3.23Å; L142-C146 PolarHBondContact O-SG 3.45Å; L142-F150 HydrophobicContact CB-CZ 4.13Å; L142-M186 HydrophobicContact CD1-CB 4.49Å; L142-M186 HydrophobicContact CD1-CG 3.52Å; L142-W340 HydrophobicContact CB-CD2 4.26Å; L142-W340 HydrophobicContact CB-CE3 3.87Å; L142-W340 HydrophobicContact CB-CZ3 4.25Å; L142-W340 HydrophobicContact CD1-CD2 3.87Å; L142-W340 HydrophobicContact CD1-CE3 4.06Å; L142-W340 HydrophobicContact CD1-CG 4.49Å; L142-W340 HydrophobicContact CD1-CH2 4.09Å; L142-W340 HydrophobicContact CD1-CZ2 3.89Å; L142-W340 HydrophobicContact CD1-CZ3 4.17Å; L142-W340 HydrophobicContact CD2-CB 3.89Å; L142-W340 HydrophobicContact CD2-CD2 3.88Å; L142-W340 HydrophobicContact CD2-CE3 4.35Å; L142-W340 HydrophobicContact CD2-CG 3.68Å; L142-W340 HydrophobicContact CG-CD2 4.22Å; L142-W340 HydrophobicContact CG-CE3 4.32Å
143	F	98.3	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.8	-45.2	176.2	-170.3	-129.4	0	0	0	111	L139 E140 D141 C146 S147 R148 F150 Y255 F256	L139-F143 WeakPolarHBondContact O-CB 3.27Å; L139-F143 PolarHBondContact O-N 3.01Å; E140-F143 PolarHBondContact O-N 3.41Å; D141-F143 VanDerWaalsContact C-N 3.33Å; D141-F143 PolarHBondContact O-N 2.92Å; F143-C146 CarbonylContact O-C 3.43Å; F143-C146 PolarHBondContact O-N 3.31Å; F143-S147 PolarHBondContact O-N 3.38Å; F143-R148 HydrophobicContact CD1-CB 4.18Å; F143-R148 HydrophobicContact CD1-CG 4.36Å; F143-R148 HydrophobicContact CE1-CB 3.85Å; F143-R148 HydrophobicContact CE1-CG 4.41Å; F143-R148 WeakPolarHBondContact CE2-O 3.43Å; F143-R148 HydrophobicContact CZ-CB 4.12Å; F143-R148 WeakPolarHBondContact CZ-O 3.33Å; F143-R148 WeakPolarHBondContact O-CA 3.31Å; F143-R148 PolarHBondContact O-N 2.86Å; F143-F150 VanDerWaalsContact CA-CZ 3.42Å; F143-F150 HydrophobicContact CB-CE1 4.28Å; F143-F150 HydrophobicContact CB-CE2 3.99Å; F143-F150 HydrophobicContact CB-CZ 3.71Å; F143-F150 AromaticContact CD2-CD1 3.93Å; F143-F150 HydrophobicContact CD2-CD1 3.93Å; F143-F150 AromaticContact CD2-CD2 3.68Å; F143-F150 HydrophobicContact CD2-CD2 3.68Å; F143-F150 AromaticContact CD2-CE1 3.97Å; F143-F150 HydrophobicContact CD2-CE1 3.97Å; F143-F150 AromaticContact CD2-CE2 3.73Å; F143-F150 HydrophobicContact CD2-CE2 3.73Å; F143-F150 AromaticContact CD2-CG 3.78Å; F143-F150 HydrophobicContact CD2-CG 3.78Å; F143-F150 AromaticContact CD2-CZ 3.88Å; F143-F150 HydrophobicContact CD2-CZ 3.88Å; F143-F150 HydrophobicContact CE2-CB 4.47Å; F143-F150 HydrophobicContact CE2-CD2 4.18Å; F143-F150 HydrophobicContact CE2-CG 4.14Å; F143-F150 HydrophobicContact CG-CE2 4.27Å; F143-F150 HydrophobicContact CG-CZ 4.31Å; F143-Y255 AromaticContact CD1-CE1 3.88Å; F143-Y255 HydrophobicContact CD1-CE1 3.88Å; F143-Y255 HydrophobicContact CE1-CD1 4.44Å; F143-Y255 AromaticContact CE1-CE1 3.86Å; F143-Y255 HydrophobicContact CE1-CE1 3.86Å; F143-Y255 AromaticContact CE1-CZ 3.93Å; F143-F256 HydrophobicContact CB-CD1 4.48Å; F143-F256 HydrophobicContact CB-CE1 4.33Å; F143-F256 HydrophobicContact CD1-CD1 4.32Å; F143-F256 AromaticContact CD2-CD1 3.94Å; F143-F256 HydrophobicContact CD2-CD1 3.94Å; F143-F256 HydrophobicContact CE1-CD1 4.49Å; F143-F256 HydrophobicContact CE2-CB 4.44Å; F143-F256 HydrophobicContact CE2-CD1 4.11Å; F143-F256 HydrophobicContact CG-CD1 4.03Å; F143-F256 HydrophobicContact CG-CE1 4.32Å; F143-F256 HydrophobicContact CZ-CD1 4.37Å
144	N	97.6	Very high	97.5	Very high	74 Å²	74	44.2 Å²	44.2	40%	0.396	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-39.8	174.4	-69.9	-47.8	0	0	0	111.8	E140 D141 C146 S147 R148	E140-N144 PolarHBondContact O-N 2.86Å; E140-N144 PolarHBondContact O-ND2 3.45Å; E140-N144 PolarHBondContact OE1-ND2 3.13Å; E140-N144 VanDerWaalsContact OE1-ND2 3.14Å; D141-N144 PolarHBondContact O-N 2.87Å; N144-C146 VanDerWaalsContact C-N 3.27Å; N144-C146 PolarHBondContact O-N 3.06Å; N144-S147 PolarHBondContact O-N 3.33Å; N144-R148 WeakPolarHBondContact OD1-CG 3.44Å; N144-R148 PolarHBondContact OD1-NH1 3Å
145	F	96.3	Very high	97.6	Very high	99 Å²	99	42.9 Å²	42.9	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-59.4	-37	173.1	179.9	-106.2	0	0	0	112.5	D141 L142 S147 W340 L343 K344	D141-F145 WeakPolarHBondContact O-CB 3.38Å; D141-F145 PolarHBondContact O-N 3.15Å; L142-F145 WeakPolarHBondContact O-CB 3.48Å; L142-F145 PolarHBondContact O-N 2.85Å; F145-S147 PolarHBondContact O-N 3.13Å; F145-W340 HydrophobicContact CD1-CB 3.88Å; F145-W340 HydrophobicContact CE1-CB 4.06Å; F145-L343 HydrophobicContact CD1-CD1 4.2Å; F145-L343 HydrophobicContact CE1-CB 3.7Å; F145-L343 HydrophobicContact CE1-CD1 4.05Å; F145-L343 HydrophobicContact CZ-CB 4.12Å; F145-K344 HydrophobicContact CE1-CG 4.33Å; F145-K344 HydrophobicContact CZ-CG 4.29Å
146	C	97	Very high	97.7	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.074	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	24	174.3	-57.2	0	0	0	0	112.9	L142 F143 N144 R148 R149 F150 L343	L142-C146 WeakPolarHBondContact O-CB 3.23Å; L142-C146 PolarHBondContact O-N 3.23Å; L142-C146 PolarHBondContact O-SG 3.45Å; F143-C146 CarbonylContact O-C 3.43Å; F143-C146 PolarHBondContact O-N 3.31Å; N144-C146 VanDerWaalsContact C-N 3.27Å; N144-C146 PolarHBondContact O-N 3.06Å; C146-R148 PolarHBondContact O-N 2.89Å; C146-R149 VanDerWaalsContact CB-O 3.32Å; C146-R149 WeakPolarHBondContact CB-O 3.42Å; C146-R149 PolarHBondContact O-N 3.26Å; C146-R149 VanDerWaalsContact O-N 3.15Å; C146-F150 HydrophobicContact CB-CD1 3.97Å; C146-F150 HydrophobicContact CB-CE1 3.86Å; C146-L343 HydrophobicContact CB-CD1 4.22Å
147	S	96.8	Very high	97.8	Very high	101 Å²	101	41.1 Å²	41.1	71%	0.706	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	37	-179.7	-58.8	0	0	0	0	113.5	F143 N144 F145 R149	F143-S147 PolarHBondContact O-N 3.38Å; N144-S147 PolarHBondContact O-N 3.33Å; F145-S147 PolarHBondContact O-N 3.13Å; S147-R149 VanDerWaalsContact C-N 3.26Å; S147-R149 PolarHBondContact O-N 2.82Å
148	R	97.3	Very high	97.9	Very high	80 Å²	80	40 Å²	40	30%	0.302	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	35	-179.8	-54.4	-176.8	59.6	72.5	7	113.7	E140 F143 N144 C146 Y255 G259	E140-R148 IonicContact OE1-NH1 2.81Å; E140-R148 PolarHBondContact OE1-NH1 2.99Å; E140-R148 VanDerWaalsContact OE1-NH1 3.09Å; F143-R148 HydrophobicContact CD1-CB 4.18Å; F143-R148 HydrophobicContact CD1-CG 4.36Å; F143-R148 HydrophobicContact CE1-CB 3.85Å; F143-R148 HydrophobicContact CE1-CG 4.41Å; F143-R148 WeakPolarHBondContact CE2-O 3.43Å; F143-R148 HydrophobicContact CZ-CB 4.12Å; F143-R148 WeakPolarHBondContact CZ-O 3.33Å; F143-R148 WeakPolarHBondContact O-CA 3.31Å; F143-R148 PolarHBondContact O-N 2.86Å; N144-R148 WeakPolarHBondContact OD1-CG 3.44Å; N144-R148 PolarHBondContact OD1-NH1 3Å; C146-R148 PolarHBondContact O-N 2.89Å; R148-Y255 PolarHBondContact NH1-OH 3.3Å; R148-Y255 VanDerWaalsContact NH2-CZ 3.32Å; R148-Y255 PolarHBondContact NH2-OH 3.08Å; R148-G259 PolarHBondContact NH2-O 3.13Å
149	R	97.1	Very high	98	Very high	204 Å²	204	39.7 Å²	39.7	77%	0.77	19%	0.193	S	C	*	.			trans	-135.9	123.2	173.2	-67.5	-171.5	177.3	-157.7	-0.4	109.7	C146 S147	C146-R149 VanDerWaalsContact CB-O 3.32Å; C146-R149 WeakPolarHBondContact CB-O 3.42Å; C146-R149 PolarHBondContact O-N 3.26Å; C146-R149 VanDerWaalsContact O-N 3.15Å; S147-R149 VanDerWaalsContact C-N 3.26Å; S147-R149 PolarHBondContact O-N 2.82Å
150	F	98.6	Very high	98	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.083	20%	0.2	C	C	.	.			trans	-107.7	145.5	164.1	-71.7	-26.6	0	0	0	110	L142 F143 C146 T154 V155 L158 F256 D339 W340	L142-F150 HydrophobicContact CB-CZ 4.13Å; F143-F150 VanDerWaalsContact CA-CZ 3.42Å; F143-F150 HydrophobicContact CB-CE1 4.28Å; F143-F150 HydrophobicContact CB-CE2 3.99Å; F143-F150 HydrophobicContact CB-CZ 3.71Å; F143-F150 AromaticContact CD2-CD1 3.93Å; F143-F150 HydrophobicContact CD2-CD1 3.93Å; F143-F150 AromaticContact CD2-CD2 3.68Å; F143-F150 HydrophobicContact CD2-CD2 3.68Å; F143-F150 AromaticContact CD2-CE1 3.97Å; F143-F150 HydrophobicContact CD2-CE1 3.97Å; F143-F150 AromaticContact CD2-CE2 3.73Å; F143-F150 HydrophobicContact CD2-CE2 3.73Å; F143-F150 AromaticContact CD2-CG 3.78Å; F143-F150 HydrophobicContact CD2-CG 3.78Å; F143-F150 AromaticContact CD2-CZ 3.88Å; F143-F150 HydrophobicContact CD2-CZ 3.88Å; F143-F150 HydrophobicContact CE2-CB 4.47Å; F143-F150 HydrophobicContact CE2-CD2 4.18Å; F143-F150 HydrophobicContact CE2-CG 4.14Å; F143-F150 HydrophobicContact CG-CE2 4.27Å; F143-F150 HydrophobicContact CG-CZ 4.31Å; C146-F150 HydrophobicContact CB-CD1 3.97Å; C146-F150 HydrophobicContact CB-CE1 3.86Å; F150-T154 HydrophobicContact CB-CG2 3.92Å; F150-T154 HydrophobicContact CD1-CG2 3.94Å; F150-T154 HydrophobicContact CD2-CG2 4.01Å; F150-T154 HydrophobicContact CE1-CG2 4.44Å; F150-T154 HydrophobicContact CG-CG2 3.71Å; F150-V155 HydrophobicContact CB-CG2 3.76Å; F150-L158 HydrophobicContact CD2-CD1 4.28Å; F150-L158 HydrophobicContact CE2-CD1 4.05Å; F150-F256 HydrophobicContact CD2-CB 3.96Å; F150-F256 AromaticContact CD2-CD1 3.79Å; F150-F256 HydrophobicContact CD2-CD1 3.79Å; F150-F256 HydrophobicContact CD2-CD2 4.36Å; F150-F256 HydrophobicContact CD2-CE1 4.37Å; F150-F256 AromaticContact CD2-CG 3.8Å; F150-F256 HydrophobicContact CD2-CG 3.8Å; F150-F256 AromaticContact CE2-CD1 3.76Å; F150-F256 HydrophobicContact CE2-CD1 3.76Å; F150-F256 AromaticContact CE2-CE1 3.89Å; F150-F256 HydrophobicContact CE2-CE1 3.89Å; F150-F256 HydrophobicContact CE2-CG 4.13Å; F150-F256 HydrophobicContact CE2-CZ 4.34Å; F150-D339 WeakPolarHBondContact CA-OD2 3.21Å; F150-D339 HydrophobicContact CD1-CB 4.47Å; F150-W340 HydrophobicContact CD1-CZ3 4.45Å; F150-W340 AromaticContact CE1-CE3 3.76Å; F150-W340 HydrophobicContact CE1-CE3 3.76Å; F150-W340 AromaticContact CE1-CZ3 3.73Å; F150-W340 HydrophobicContact CE1-CZ3 3.73Å; F150-W340 HydrophobicContact CE2-CZ3 4.29Å; F150-W340 HydrophobicContact CZ-CE3 4.03Å; F150-W340 AromaticContact CZ-CZ3 3.64Å; F150-W340 HydrophobicContact CZ-CZ3 3.64Å
151	T	98.3	Very high	98	Very high	69 Å²	69	40.6 Å²	40.6	42%	0.423	20%	0.199	S	C	.	.			trans	-73.4	157.1	170.4	63.8	0	0	0	0	110.2	K153 T154 V155 D339	T151-K153 PolarHBondContact O-N 2.96Å; T151-T154 PolarHBondContact O-N 2.84Å; T151-T154 VanDerWaalsContact O-N 3.08Å; T151-T154 PolarHBondContact OG1-N 3.09Å; T151-T154 PolarHBondContact OG1-OG1 2.97Å; T151-V155 WeakPolarHBondContact O-CG2 3.34Å; T151-V155 PolarHBondContact O-N 3.4Å; T151-D339 WeakPolarHBondContact CB-OD1 3.44Å; T151-D339 WeakPolarHBondContact CG2-OD1 3.44Å; T151-D339 PolarHBondContact N-OD2 3Å; T151-D339 PolarHBondContact OG1-OD1 3.31Å; T151-D339 PolarHBondContact OG1-OD2 2.8Å
152	M	98.4	Very high	98.1	Very high	39 Å²	39	37.5 Å²	37.5	19%	0.192	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-40.3	175.6	-171.9	55.3	62.5	0	0	111.7	T154 V155 L156 Y294 P295 F298 L330	M152-T154 PolarHBondContact O-N 3.04Å; M152-V155 PolarHBondContact O-N 3.37Å; M152-L156 HydrophobicContact CG-CD1 3.79Å; M152-L156 HydrophobicContact CG-CG 4.2Å; M152-L156 WeakPolarHBondContact O-CB 3.37Å; M152-L156 VanDerWaalsContact O-CG 3.23Å; M152-L156 WeakPolarHBondContact O-CG 3.19Å; M152-L156 PolarHBondContact O-N 3.26Å; M152-L156 HydrophobicContact SD-CD1 4.07Å; M152-L156 HydrophobicContact SD-CD2 4.27Å; M152-L156 HydrophobicContact SD-CG 3.94Å; M152-Y294 HydrophobicContact CE-CD1 3.91Å; M152-P295 HydrophobicContact CE-CG 3.99Å; M152-P295 HydrophobicContact SD-CG 4.37Å; M152-F298 HydrophobicContact CE-CE2 3.73Å; M152-F298 HydrophobicContact CE-CZ 4.11Å; M152-F298 HydrophobicContact SD-CE2 3.54Å; M152-F298 VanDerWaalsContact SD-CE2 3.54Å; M152-F298 HydrophobicContact SD-CZ 3.6Å; M152-L330 HydrophobicContact CB-CD1 4.5Å; M152-L330 HydrophobicContact CG-CD1 3.6Å
153	K	98.5	Very high	98.1	Very high	38 Å²	38	37.2 Å²	37.2	17%	0.165	18%	0.18	C	C	.	.	H	α-helix	trans	-54.5	-50.9	174.4	-172.5	-173.9	173.7	-175.1	0	111.8	T151 L156 M157 F327 H332 Q333 D335	T151-K153 PolarHBondContact O-N 2.96Å; K153-L156 PolarHBondContact O-N 3.43Å; K153-M157 HydrophobicContact CD-CE 4.41Å; K153-M157 HydrophobicContact CG-CE 3.99Å; K153-M157 WeakPolarHBondContact O-CG 3.37Å; K153-M157 PolarHBondContact O-N 3.49Å; K153-F327 HydrophobicContact CG-CE2 3.81Å; K153-F327 HydrophobicContact CG-CZ 4.21Å; K153-H332 HydrophobicContact CG-CB 4.16Å; K153-Q333 VanDerWaalsContact CE-O 3.31Å; K153-Q333 WeakPolarHBondContact CE-O 3.49Å; K153-D335 VanDerWaalsContact CE-OD1 3.31Å; K153-D335 WeakPolarHBondContact CE-OD1 3.09Å; K153-D335 IonicContact NZ-OD1 2.8Å; K153-D335 PolarHBondContact NZ-OD1 3.24Å; K153-D335 IonicContact NZ-OD2 3.15Å; K153-D335 PolarHBondContact NZ-OD2 3Å
154	T	98.6	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-47.4	178.4	-71.9	0	0	0	0	111.6	F150 T151 M152 L156 M157 L158 F338 D339 W340	F150-T154 HydrophobicContact CB-CG2 3.92Å; F150-T154 HydrophobicContact CD1-CG2 3.94Å; F150-T154 HydrophobicContact CD2-CG2 4.01Å; F150-T154 HydrophobicContact CE1-CG2 4.44Å; F150-T154 HydrophobicContact CG-CG2 3.71Å; T151-T154 PolarHBondContact O-N 2.84Å; T151-T154 VanDerWaalsContact O-N 3.08Å; T151-T154 PolarHBondContact OG1-N 3.09Å; T151-T154 PolarHBondContact OG1-OG1 2.97Å; M152-T154 PolarHBondContact O-N 3.04Å; T154-L156 PolarHBondContact O-N 2.93Å; T154-M157 PolarHBondContact O-N 2.74Å; T154-L158 HydrophobicContact CG2-CD1 3.91Å; T154-L158 HydrophobicContact CG2-CG 4.48Å; T154-L158 WeakPolarHBondContact O-CB 3.2Å; T154-L158 WeakPolarHBondContact O-CG 3.46Å; T154-L158 PolarHBondContact O-N 2.75Å; T154-F338 HydrophobicContact CG2-CD1 4.13Å; T154-D339 WeakPolarHBondContact CB-OD2 3.34Å; T154-D339 PolarHBondContact OG1-N 3.5Å; T154-D339 PolarHBondContact OG1-OD1 3.34Å; T154-D339 PolarHBondContact OG1-OD2 3.18Å; T154-W340 HydrophobicContact CG2-CH2 4.17Å; T154-W340 HydrophobicContact CG2-CZ3 3.69Å
155	V	98.8	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-44	-179.7	176.2	0	0	0	0	111.4	F150 T151 M152 L158 A159 L253 F256 F298	F150-V155 HydrophobicContact CB-CG2 3.76Å; T151-V155 WeakPolarHBondContact O-CG2 3.34Å; T151-V155 PolarHBondContact O-N 3.4Å; M152-V155 PolarHBondContact O-N 3.37Å; V155-L158 PolarHBondContact O-N 2.94Å; V155-A159 WeakPolarHBondContact O-CB 3.45Å; V155-A159 PolarHBondContact O-N 3.21Å; V155-L253 HydrophobicContact CG1-CD2 4.14Å; V155-F256 HydrophobicContact CG2-CB 3.93Å; V155-F298 HydrophobicContact CG1-CE1 4Å; V155-F298 HydrophobicContact CG1-CZ 4.05Å
156	L	98.7	Very high	98.3	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-69.5	-39.4	179.9	-66	174.6	0	0	0	112.9	M152 K153 T154 L158 A159 D160 F298 F323 L326 F327 L330	M152-L156 HydrophobicContact CG-CD1 3.79Å; M152-L156 HydrophobicContact CG-CG 4.2Å; M152-L156 WeakPolarHBondContact O-CB 3.37Å; M152-L156 VanDerWaalsContact O-CG 3.23Å; M152-L156 WeakPolarHBondContact O-CG 3.19Å; M152-L156 PolarHBondContact O-N 3.26Å; M152-L156 HydrophobicContact SD-CD1 4.07Å; M152-L156 HydrophobicContact SD-CD2 4.27Å; M152-L156 HydrophobicContact SD-CG 3.94Å; K153-L156 PolarHBondContact O-N 3.43Å; T154-L156 PolarHBondContact O-N 2.93Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-L158 PolarHBondContact O-N 3.03Å; L156-A159 PolarHBondContact O-N 2.88Å; L156-D160 PolarHBondContact O-N 3.42Å; L156-F298 HydrophobicContact CD2-CZ 4.13Å; L156-F323 HydrophobicContact CD2-CB 3.82Å; L156-F323 HydrophobicContact CD2-CD1 3.47Å; L156-F323 VanDerWaalsContact CD2-CD1 3.47Å; L156-F323 HydrophobicContact CD2-CE1 4.37Å; L156-F323 HydrophobicContact CD2-CG 3.95Å; L156-L326 HydrophobicContact CD1-CD2 4.06Å; L156-L326 HydrophobicContact CD1-CG 4Å; L156-L326 HydrophobicContact CD2-CD2 3.84Å; L156-F327 HydrophobicContact CB-CD2 3.72Å; L156-F327 HydrophobicContact CB-CE2 4.46Å; L156-F327 HydrophobicContact CD1-CB 4.14Å; L156-F327 HydrophobicContact CD1-CD2 4.03Å; L156-L330 HydrophobicContact CD1-CD1 4.16Å
157	M	98.5	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-38.6	174	-72	-170.1	-60.9	0	0	112	K153 T154 F327 F334 F338	K153-M157 HydrophobicContact CD-CE 4.41Å; K153-M157 HydrophobicContact CG-CE 3.99Å; K153-M157 WeakPolarHBondContact O-CG 3.37Å; K153-M157 PolarHBondContact O-N 3.49Å; T154-M157 PolarHBondContact O-N 2.74Å; M157-F327 HydrophobicContact CG-CE2 3.59Å; M157-F327 HydrophobicContact CG-CZ 3.84Å; M157-F327 HydrophobicContact SD-CE2 4.41Å; M157-F327 HydrophobicContact SD-CZ 4.23Å; M157-F334 HydrophobicContact CB-CE2 4.04Å; M157-F334 HydrophobicContact CB-CZ 4.41Å; M157-F334 HydrophobicContact CG-CD2 3.84Å; M157-F334 HydrophobicContact CG-CE2 3.75Å; M157-F334 HydrophobicContact CG-CZ 4.39Å; M157-F334 HydrophobicContact SD-CD2 4.44Å; M157-F338 HydrophobicContact CB-CD1 4.46Å; M157-F338 HydrophobicContact CB-CE1 3.72Å; M157-F338 HydrophobicContact CB-CZ 4.39Å; M157-F338 HydrophobicContact CE-CD1 3.65Å; M157-F338 HydrophobicContact CE-CE1 3.85Å; M157-F338 HydrophobicContact CE-CG 4.17Å; M157-F338 HydrophobicContact CE-CZ 4.5Å
158	L	98.7	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-44	174.3	-73.8	174.4	0	0	0	111.5	L139 F150 T154 V155 L156 D160 Q161 M162 L195 F338 W340	L139-L158 HydrophobicContact CD1-CD1 4.14Å; L139-L158 HydrophobicContact CD1-CD2 4.11Å; L139-L158 HydrophobicContact CD2-CD1 3.97Å; L139-L158 HydrophobicContact CD2-CD2 3.68Å; L139-L158 HydrophobicContact CD2-CG 4.49Å; F150-L158 HydrophobicContact CD2-CD1 4.28Å; F150-L158 HydrophobicContact CE2-CD1 4.05Å; T154-L158 HydrophobicContact CG2-CD1 3.91Å; T154-L158 HydrophobicContact CG2-CG 4.48Å; T154-L158 WeakPolarHBondContact O-CB 3.2Å; T154-L158 WeakPolarHBondContact O-CG 3.46Å; T154-L158 PolarHBondContact O-N 2.75Å; V155-L158 PolarHBondContact O-N 2.94Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-L158 PolarHBondContact O-N 3.03Å; L158-D160 VanDerWaalsContact C-N 3.3Å; L158-D160 PolarHBondContact O-N 2.82Å; L158-Q161 PolarHBondContact O-N 3.26Å; L158-Q161 VanDerWaalsContact O-N 3.15Å; L158-M162 HydrophobicContact CB-SD 4.4Å; L158-M162 WeakPolarHBondContact O-CB 3.29Å; L158-M162 VanDerWaalsContact O-CG 3.23Å; L158-M162 WeakPolarHBondContact O-CG 3.28Å; L158-M162 PolarHBondContact O-N 2.78Å; L158-L195 HydrophobicContact CD2-CD1 4.1Å; L158-L195 HydrophobicContact CD2-CD2 4.3Å; L158-F338 HydrophobicContact CD2-CE1 4.1Å; L158-F338 HydrophobicContact CG-CE1 4.16Å; L158-W340 HydrophobicContact CD1-CH2 4.05Å; L158-W340 HydrophobicContact CD1-CZ3 4.3Å; L158-W340 HydrophobicContact CD2-CH2 4.07Å; L158-W340 HydrophobicContact CG-CH2 4.31Å
159	A	98.8	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.4	-44	179	0	0	0	0	0	112.1	V155 L156 Q161 M162 I163 M249 L253 F323	V155-A159 WeakPolarHBondContact O-CB 3.45Å; V155-A159 PolarHBondContact O-N 3.21Å; L156-A159 PolarHBondContact O-N 2.88Å; A159-Q161 PolarHBondContact O-N 3.17Å; A159-M162 PolarHBondContact O-N 3.09Å; A159-I163 WeakPolarHBondContact O-CG1 3.29Å; A159-I163 PolarHBondContact O-N 3.29Å; A159-M249 HydrophobicContact CB-CE 4.11Å; A159-M249 WeakPolarHBondContact O-CE 3.46Å; A159-L253 HydrophobicContact CB-CD1 3.88Å; A159-L253 HydrophobicContact CB-CD2 3.83Å; A159-F323 HydrophobicContact CB-CD2 3.86Å; A159-F323 HydrophobicContact CB-CE2 4.2Å; A159-F323 HydrophobicContact CB-CG 4.27Å
160	D	98.6	Very high	98.6	Very high	26 Å²	26	17.2 Å²	17.2	14%	0.139	9%	0.088	C	C	.	.	H	α-helix	trans	-58	-48.1	177.2	-171.6	73.1	0	0	0	112.2	L156 L158 G164 R324 F334	L156-D160 PolarHBondContact O-N 3.42Å; L158-D160 VanDerWaalsContact C-N 3.3Å; L158-D160 PolarHBondContact O-N 2.82Å; D160-G164 PolarHBondContact O-N 3.38Å; D160-R324 IonicContact OD1-CZ 2.63Å; D160-R324 IonicContact OD1-NE 3.94Å; D160-R324 PolarHBondContact OD1-NE 3.22Å; D160-R324 IonicContact OD1-NH2 3.08Å; D160-R324 PolarHBondContact OD1-NH2 3.03Å; D160-R324 IonicContact OD2-NH2 3.15Å; D160-R324 PolarHBondContact OD2-NH2 2.91Å; D160-F334 HydrophobicContact CB-CE2 4.37Å
161	Q	98.6	Very high	98.6	Very high	16 Å²	16	20 Å²	20	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-68.6	-43.2	179.3	-65.6	-160.9	58.8	0	0	112.1	L158 A159 I163 G164 R165 N193 L195	L158-Q161 PolarHBondContact O-N 3.26Å; L158-Q161 VanDerWaalsContact O-N 3.15Å; A159-Q161 PolarHBondContact O-N 3.17Å; Q161-I163 PolarHBondContact O-N 3.49Å; Q161-G164 WeakPolarHBondContact O-CA 3.14Å; Q161-G164 PolarHBondContact O-N 2.83Å; Q161-G164 VanDerWaalsContact O-N 3.12Å; Q161-R165 WeakPolarHBondContact O-CG 3.2Å; Q161-R165 PolarHBondContact O-N 2.82Å; Q161-N193 PolarHBondContact NE2-O 3Å; Q161-L195 HydrophobicContact CB-CB 3.95Å; Q161-L195 HydrophobicContact CB-CD2 4.16Å
162	M	98.9	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-46.5	-180	-72	173.4	76.1	0	0	111.6	L139 L158 A159 G164 R165 I166 F184 L195 M249 V252 L253	L139-M162 HydrophobicContact CD1-SD 4.27Å; L158-M162 HydrophobicContact CB-SD 4.4Å; L158-M162 WeakPolarHBondContact O-CB 3.29Å; L158-M162 VanDerWaalsContact O-CG 3.23Å; L158-M162 WeakPolarHBondContact O-CG 3.28Å; L158-M162 PolarHBondContact O-N 2.78Å; A159-M162 PolarHBondContact O-N 3.09Å; M162-G164 VanDerWaalsContact C-N 3.28Å; M162-G164 PolarHBondContact O-N 2.79Å; M162-R165 PolarHBondContact O-N 3.22Å; M162-R165 VanDerWaalsContact O-N 3.13Å; M162-I166 WeakPolarHBondContact O-CG1 3.47Å; M162-I166 PolarHBondContact O-N 2.76Å; M162-F184 HydrophobicContact CB-CE1 4.12Å; M162-F184 HydrophobicContact CB-CZ 4.33Å; M162-F184 HydrophobicContact CE-CD2 3.86Å; M162-F184 HydrophobicContact CE-CE1 4.37Å; M162-F184 HydrophobicContact CE-CE2 3.54Å; M162-F184 HydrophobicContact CE-CG 4.41Å; M162-F184 HydrophobicContact CE-CZ 3.81Å; M162-F184 HydrophobicContact CG-CD1 4Å; M162-F184 HydrophobicContact CG-CE1 3.83Å; M162-F184 HydrophobicContact CG-CG 4.44Å; M162-F184 HydrophobicContact CG-CZ 4.16Å; M162-L195 HydrophobicContact CB-CD2 4.42Å; M162-L195 HydrophobicContact CG-CD2 3.39Å; M162-M249 HydrophobicContact CB-CE 3.58Å; M162-M249 HydrophobicContact CB-SD 3.73Å; M162-M249 HydrophobicContact CE-CG 4.03Å; M162-M249 HydrophobicContact SD-CE 4.42Å; M162-V252 HydrophobicContact CE-CB 4.29Å; M162-V252 HydrophobicContact CE-CG1 3.7Å; M162-L253 HydrophobicContact SD-CD2 4.14Å
163	I	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.1	-44.6	174.7	-65.2	164.7	0	0	0	109.8	A159 Q161 R165 I166 E167 M246 M249 Y301 Y316 M319 R320 F323	A159-I163 WeakPolarHBondContact O-CG1 3.29Å; A159-I163 PolarHBondContact O-N 3.29Å; Q161-I163 PolarHBondContact O-N 3.49Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 2.9Å; I163-I166 PolarHBondContact O-N 3.5Å; I163-E167 VanDerWaalsContact O-CB 3.24Å; I163-E167 WeakPolarHBondContact O-CB 3.37Å; I163-E167 PolarHBondContact O-N 2.91Å; I163-M246 HydrophobicContact CG1-CE 4.2Å; I163-M246 HydrophobicContact CG2-CE 4.23Å; I163-M249 HydrophobicContact CD1-CE 4.2Å; I163-M249 HydrophobicContact CG1-CE 3.52Å; I163-M249 HydrophobicContact CG1-SD 3.74Å; I163-Y301 HydrophobicContact CD1-CE2 4.33Å; I163-Y316 HydrophobicContact CG2-CD1 4.15Å; I163-M319 HydrophobicContact CD1-CB 3.95Å; I163-R320 HydrophobicContact CB-CG 4.03Å; I163-R320 HydrophobicContact CD1-CG 3.89Å; I163-R320 HydrophobicContact CG2-CG 3.85Å; I163-F323 HydrophobicContact CD1-CD2 4.17Å; I163-F323 HydrophobicContact CD1-CE2 4.39Å
164	G	98.6	Very high	98.5	Very high	15 Å²	15	17.9 Å²	17.9	16%	0.155	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-35.4	177.4	0	0	0	0	0	114.2	D160 Q161 M162 F168	D160-G164 PolarHBondContact O-N 3.38Å; Q161-G164 WeakPolarHBondContact O-CA 3.14Å; Q161-G164 PolarHBondContact O-N 2.83Å; Q161-G164 VanDerWaalsContact O-N 3.12Å; M162-G164 VanDerWaalsContact C-N 3.28Å; M162-G164 PolarHBondContact O-N 2.79Å; G164-F168 WeakPolarHBondContact O-CB 3.37Å; G164-F168 PolarHBondContact O-N 3.21Å
165	R	98.7	Very high	98.5	Very high	31 Å²	31	17.9 Å²	17.9	12%	0.117	9%	0.091	C	C	.	.	H	α-helix	trans	-71.6	-45	176.1	-58	-55.2	156.4	-107	-11.3	112.2	I113 Q161 M162 I163 F168 L169 F184 L195 L197	I113-R165 WeakPolarHBondContact O-CD 3.35Å; I113-R165 PolarHBondContact O-NE 2.84Å; I113-R165 PolarHBondContact O-NH1 2.89Å; I113-R165 VanDerWaalsContact O-NH1 3.08Å; Q161-R165 WeakPolarHBondContact O-CG 3.2Å; Q161-R165 PolarHBondContact O-N 2.82Å; M162-R165 PolarHBondContact O-N 3.22Å; M162-R165 VanDerWaalsContact O-N 3.13Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 2.9Å; R165-F168 PolarHBondContact O-N 3.07Å; R165-L169 PolarHBondContact O-N 3.15Å; R165-F184 HydrophobicContact CB-CE1 4.36Å; R165-L195 PolarHBondContact NE-O 3.46Å; R165-L197 HydrophobicContact CB-CB 3.86Å; R165-L197 HydrophobicContact CB-CD2 4.17Å; R165-L197 HydrophobicContact CG-CB 4.32Å
166	I	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.2	-44	-179.9	-62.5	171.9	0	0	0	110.3	M162 I163 F168 L169 H170 I179 F184 L197 D245 M246 M249	M162-I166 WeakPolarHBondContact O-CG1 3.47Å; M162-I166 PolarHBondContact O-N 2.76Å; I163-I166 PolarHBondContact O-N 3.5Å; I166-F168 VanDerWaalsContact C-N 3.32Å; I166-F168 PolarHBondContact O-N 3.23Å; I166-L169 WeakPolarHBondContact O-CB 3.41Å; I166-L169 PolarHBondContact O-N 3.19Å; I166-H170 WeakPolarHBondContact CG2-CE1 3.49Å; I166-H170 WeakPolarHBondContact CG2-NE2 3.41Å; I166-H170 PolarHBondContact O-CD2 2.85Å; I166-H170 VanDerWaalsContact O-CG 3.3Å; I166-H170 PolarHBondContact O-N 3.05Å; I166-I179 HydrophobicContact CD1-CD1 3.93Å; I166-I179 HydrophobicContact CD1-CG1 4.35Å; I166-I179 HydrophobicContact CD1-CG2 4.38Å; I166-I179 HydrophobicContact CG1-CD1 3.97Å; I166-F184 HydrophobicContact CD1-CZ 4.29Å; I166-F184 HydrophobicContact CG1-CZ 4.34Å; I166-L197 HydrophobicContact CG1-CD2 4.3Å; I166-D245 HydrophobicContact CG2-CB 4.04Å; I166-M246 HydrophobicContact CB-SD 4.22Å; I166-M246 HydrophobicContact CD1-SD 4.49Å; I166-M246 HydrophobicContact CG2-SD 3.5Å; I166-M246 VanDerWaalsContact CG2-SD 3.5Å; I166-M249 HydrophobicContact CD1-CB 3.86Å; I166-M249 HydrophobicContact CD1-CG 4.26Å; I166-M249 HydrophobicContact CD1-SD 3.76Å
167	E	98.7	Very high	98.5	Very high	52 Å²	52	19.5 Å²	19.5	24%	0.243	10%	0.096	C	C	.	.	H	α-helix	trans	-55.6	-46.8	174.9	177.3	-178.9	-139.5	0	0	111.4	I163 L169 H170 V171 Y316 R320	I163-E167 VanDerWaalsContact O-CB 3.24Å; I163-E167 WeakPolarHBondContact O-CB 3.37Å; I163-E167 PolarHBondContact O-N 2.91Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 2.88Å; E167-H170 WeakPolarHBondContact O-CB 3.26Å; E167-H170 PolarHBondContact O-N 3.44Å; E167-H170 VanDerWaalsContact O-N 3.17Å; E167-V171 HydrophobicContact CG-CG2 4.24Å; E167-V171 VanDerWaalsContact O-CG2 3.32Å; E167-V171 WeakPolarHBondContact O-CG2 3.39Å; E167-V171 PolarHBondContact O-N 3.39Å; E167-Y316 HydrophobicContact CB-CD1 3.7Å; E167-Y316 HydrophobicContact CB-CD2 4.14Å; E167-Y316 HydrophobicContact CB-CE1 3.98Å; E167-Y316 HydrophobicContact CB-CE2 4.41Å; E167-Y316 HydrophobicContact CB-CG 3.79Å; E167-Y316 HydrophobicContact CG-CD1 4.08Å; E167-Y316 HydrophobicContact CG-CD2 3.55Å; E167-Y316 HydrophobicContact CG-CE1 4.36Å; E167-Y316 HydrophobicContact CG-CE2 3.88Å; E167-Y316 HydrophobicContact CG-CG 3.66Å; E167-Y316 WeakPolarHBondContact OE1-CB 3.1Å; E167-Y316 VanDerWaalsContact OE1-CD2 3.32Å; E167-Y316 WeakPolarHBondContact OE1-CD2 3.31Å; E167-R320 IonicContact OE1-NH2 2.8Å; E167-R320 PolarHBondContact OE1-NH2 3.38Å; E167-R320 VanDerWaalsContact OE1-NH2 3.15Å; E167-R320 IonicContact OE2-CZ 2.78Å; E167-R320 VanDerWaalsContact OE2-CZ 3.26Å; E167-R320 IonicContact OE2-NH1 2.76Å; E167-R320 PolarHBondContact OE2-NH1 2.99Å; E167-R320 IonicContact OE2-NH2 3.45Å; E167-R320 PolarHBondContact OE2-NH2 3.41Å
168	F	98.6	Very high	98.5	Very high	50 Å²	50	19.8 Å²	19.8	22%	0.219	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-44	179.3	178.2	-100	0	0	0	112.1	L109 V115 G164 R165 I166 H170 V171 K172	L109-F168 HydrophobicContact CB-CE1 4.22Å; L109-F168 HydrophobicContact CD2-CE1 4.13Å; L109-F168 WeakPolarHBondContact O-CE1 3.21Å; V115-F168 HydrophobicContact CG2-CD1 4.05Å; V115-F168 HydrophobicContact CG2-CE1 3.8Å; G164-F168 WeakPolarHBondContact O-CB 3.37Å; G164-F168 PolarHBondContact O-N 3.21Å; R165-F168 PolarHBondContact O-N 3.07Å; I166-F168 VanDerWaalsContact C-N 3.32Å; I166-F168 PolarHBondContact O-N 3.23Å; F168-H170 PolarHBondContact O-N 3.27Å; F168-V171 PolarHBondContact O-N 3.06Å; F168-K172 HydrophobicContact CE1-CG 4.13Å; F168-K172 HydrophobicContact CE2-CG 4.39Å; F168-K172 HydrophobicContact CZ-CD 4.37Å; F168-K172 VanDerWaalsContact CZ-CE 3.42Å; F168-K172 HydrophobicContact CZ-CG 4.04Å; F168-K172 WeakPolarHBondContact O-CG 3.45Å; F168-K172 PolarHBondContact O-N 3.17Å; F168-K172 VanDerWaalsContact O-N 3.1Å
169	L	98.5	Very high	98.5	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-45.7	175.5	-176.3	67.3	0	0	0	111.5	L109 R165 I166 E167 V171 K172 G173 F174 H176 Y200	L109-L169 HydrophobicContact CD1-CD1 3.6Å; L109-L169 HydrophobicContact CD2-CD1 3.93Å; L109-L169 HydrophobicContact CG-CD1 4.4Å; R165-L169 PolarHBondContact O-N 3.15Å; I166-L169 WeakPolarHBondContact O-CB 3.41Å; I166-L169 PolarHBondContact O-N 3.19Å; E167-L169 VanDerWaalsContact C-N 3.32Å; E167-L169 PolarHBondContact O-N 2.88Å; L169-V171 PolarHBondContact O-N 3.48Å; L169-K172 CarbonylContact O-C 3.58Å; L169-K172 WeakPolarHBondContact O-CB 3.28Å; L169-K172 PolarHBondContact O-N 3.02Å; L169-G173 PolarHBondContact O-N 3.38Å; L169-F174 CarbonylContact C-O 3.46Å; L169-F174 HydrophobicContact CD1-CB 3.64Å; L169-F174 HydrophobicContact CG-CB 3.94Å; L169-F174 PolarHBondContact O-N 3.2Å; L169-F174 VanDerWaalsContact O-N 3.16Å; L169-H176 HydrophobicContact CD2-CB 3.59Å; L169-Y200 HydrophobicContact CD1-CD1 4.2Å; L169-Y200 HydrophobicContact CD1-CE1 3.94Å; L169-Y200 HydrophobicContact CD2-CE1 4.29Å
170	H	98.7	Very high	98.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-41.5	177.7	-67.2	179.3	0	0	0	112	I166 E167 F168 K172 G173 F174 Y206 R207 R242 D245 Y316	I166-H170 WeakPolarHBondContact CG2-CE1 3.49Å; I166-H170 WeakPolarHBondContact CG2-NE2 3.41Å; I166-H170 PolarHBondContact O-CD2 2.85Å; I166-H170 VanDerWaalsContact O-CG 3.3Å; I166-H170 PolarHBondContact O-N 3.05Å; E167-H170 WeakPolarHBondContact O-CB 3.26Å; E167-H170 PolarHBondContact O-N 3.44Å; E167-H170 VanDerWaalsContact O-N 3.17Å; F168-H170 PolarHBondContact O-N 3.27Å; H170-K172 PolarHBondContact O-N 3.43Å; H170-G173 WeakPolarHBondContact O-CA 3.26Å; H170-G173 PolarHBondContact O-N 3.35Å; H170-F174 WeakPolarHBondContact CA-O 3.33Å; H170-F174 PolarHBondContact CD2-O 3.37Å; H170-F174 VanDerWaalsContact CD2-O 3.25Å; H170-F174 PolarHBondContact N-O 2.83Å; H170-Y206 HydrophobicContact CB-CE1 4.48Å; H170-Y206 WeakPolarHBondContact O-CE1 3.26Å; H170-Y206 PolarHBondContact O-OH 2.99Å; H170-Y206 VanDerWaalsContact O-OH 3.1Å; H170-R207 PolarHBondContact O-NH2 2.7Å; H170-R242 HydrophobicContact CB-CG 4.14Å; H170-R242 PolarHBondContact CE1-O 2.97Å; H170-D245 IonicContact CD2-OD2 3.18Å; H170-D245 IonicContact NE2-OD2 3.65Å; H170-D245 PolarHBondContact NE2-OD2 2.84Å; H170-D245 VanDerWaalsContact NE2-OD2 3.08Å; H170-Y316 VanDerWaalsContact CB-OH 3.27Å; H170-Y316 WeakPolarHBondContact CB-OH 3.37Å; H170-Y316 AromaticContact ND1-CE1 3.64Å; H170-Y316 AromaticContact ND1-CZ 3.6Å; H170-Y316 PolarHBondContact ND1-OH 2.96Å
171	V	97.1	Very high	98.4	Very high	78 Å²	78	19.7 Å²	19.7	47%	0.473	10%	0.097	S	C	.	.	H	α-helix	trans	-57.9	-41.3	175	167.2	0	0	0	0	110.6	E167 F168 L169 G173 R207 R212	E167-V171 HydrophobicContact CG-CG2 4.24Å; E167-V171 VanDerWaalsContact O-CG2 3.32Å; E167-V171 WeakPolarHBondContact O-CG2 3.39Å; E167-V171 PolarHBondContact O-N 3.39Å; F168-V171 PolarHBondContact O-N 3.06Å; L169-V171 PolarHBondContact O-N 3.48Å; V171-G173 PolarHBondContact O-N 2.87Å; V171-R207 PolarHBondContact O-NH2 3.22Å; V171-R212 PolarHBondContact O-NH1 3.46Å
172	K	97.7	Very high	98.4	Very high	84 Å²	84	22.3 Å²	22.3	37%	0.365	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-1.9	175.1	-65.9	-74.7	-174.7	167	0	114.3	L109 F168 L169 H170 F174	L109-K172 HydrophobicContact CD2-CB 3.54Å; L109-K172 HydrophobicContact CD2-CD 4.49Å; L109-K172 HydrophobicContact CD2-CG 3.63Å; F168-K172 HydrophobicContact CE1-CG 4.13Å; F168-K172 HydrophobicContact CE2-CG 4.39Å; F168-K172 HydrophobicContact CZ-CD 4.37Å; F168-K172 VanDerWaalsContact CZ-CE 3.42Å; F168-K172 HydrophobicContact CZ-CG 4.04Å; F168-K172 WeakPolarHBondContact O-CG 3.45Å; F168-K172 PolarHBondContact O-N 3.17Å; F168-K172 VanDerWaalsContact O-N 3.1Å; L169-K172 CarbonylContact O-C 3.58Å; L169-K172 WeakPolarHBondContact O-CB 3.28Å; L169-K172 PolarHBondContact O-N 3.02Å; H170-K172 PolarHBondContact O-N 3.43Å; K172-F174 WeakPolarHBondContact O-CD2 3.49Å
173	G	98.1	Very high	98.3	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	13.7	171.9	0	0	0	0	0	114.6	L169 H170 V171 K205 Y206	L169-G173 PolarHBondContact O-N 3.38Å; H170-G173 WeakPolarHBondContact O-CA 3.26Å; H170-G173 PolarHBondContact O-N 3.35Å; V171-G173 PolarHBondContact O-N 2.87Å; G173-K205 WeakPolarHBondContact O-CA 3.25Å; G173-Y206 VanDerWaalsContact C-CE1 3.45Å; G173-Y206 VanDerWaalsContact O-CD1 3.23Å; G173-Y206 WeakPolarHBondContact O-CD1 3.38Å; G173-Y206 PolarHBondContact O-N 3.19Å
174	F	98.6	Very high	98.3	Very high	14 Å²	14	22.6 Å²	22.6	6%	0.061	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	153.5	178.9	-70.3	-96.5	0	0	0	111.4	V105 L108 L169 H170 K172 K204 K205	V105-F174 HydrophobicContact CG2-CD1 4.4Å; V105-F174 HydrophobicContact CG2-CE1 3.93Å; V105-F174 HydrophobicContact CG2-CZ 4.43Å; L108-F174 HydrophobicContact CD1-CE2 3.97Å; L108-F174 HydrophobicContact CD1-CZ 3.85Å; L169-F174 CarbonylContact C-O 3.46Å; L169-F174 HydrophobicContact CD1-CB 3.64Å; L169-F174 HydrophobicContact CG-CB 3.94Å; L169-F174 PolarHBondContact O-N 3.2Å; L169-F174 VanDerWaalsContact O-N 3.16Å; H170-F174 WeakPolarHBondContact CA-O 3.33Å; H170-F174 PolarHBondContact CD2-O 3.37Å; H170-F174 VanDerWaalsContact CD2-O 3.25Å; H170-F174 PolarHBondContact N-O 2.83Å; K172-F174 WeakPolarHBondContact O-CD2 3.49Å; F174-K204 CarbonylContact C-O 3.45Å; F174-K204 VanDerWaalsContact CA-O 3.27Å; F174-K204 WeakPolarHBondContact CA-O 3.46Å; F174-K205 HydrophobicContact CD1-CB 4.34Å; F174-K205 HydrophobicContact CE1-CB 4.08Å; F174-K205 HydrophobicContact CZ-CB 4.44Å
175	I	98.8	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.4	162.6	53.1	173.9	0	0	0	108.3	R177 A203 K204 Y206 Q240 R242 D245	I175-R177 HydrophobicContact CB-CG 4.39Å; I175-R177 HydrophobicContact CD1-CG 3.7Å; I175-R177 HydrophobicContact CG1-CG 3.81Å; I175-A203 CarbonylContact O-C 3.57Å; I175-A203 WeakPolarHBondContact O-CA 3.4Å; I175-A203 WeakPolarHBondContact O-CB 3.35Å; I175-K204 HydrophobicContact CG1-CB 4.21Å; I175-K204 WeakPolarHBondContact CG1-O 3.43Å; I175-K204 PolarHBondContact N-O 3.15Å; I175-K204 PolarHBondContact O-N 3.32Å; I175-Y206 HydrophobicContact CG2-CD1 3.81Å; I175-Y206 HydrophobicContact CG2-CG 4.06Å; I175-Q240 HydrophobicContact CD1-CB 4Å; I175-Q240 WeakPolarHBondContact CD1-O 3.36Å; I175-R242 HydrophobicContact CG2-CG 4.09Å; I175-D245 WeakPolarHBondContact CA-OD2 3.39Å; I175-D245 WeakPolarHBondContact CB-OD2 3.36Å
176	H	98.6	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.			trans	-82.2	-46.8	-175.7	-163.2	-66	0	0	0	112.7	L169 D178 I179 L197 I198 D199 Y200 L202 D245	L169-H176 HydrophobicContact CD2-CB 3.59Å; H176-D178 PolarHBondContact ND1-N 3.07Å; H176-D178 PolarHBondContact O-N 2.95Å; H176-I179 HydrophobicContact CB-CD1 3.63Å; H176-I179 HydrophobicContact CB-CG1 4.25Å; H176-L197 WeakPolarHBondContact NE2-CD1 3.48Å; H176-I198 PolarHBondContact CE1-O 3.01Å; H176-I198 PolarHBondContact NE2-O 3.06Å; H176-D199 PolarHBondContact CE1-O 3.15Å; H176-Y200 AromaticContact CD2-CD1 3.85Å; H176-Y200 AromaticContact CD2-CE1 3.86Å; H176-Y200 AromaticContact NE2-CD1 3.94Å; H176-L202 CarbonylContact O-C 3.54Å; H176-D245 PolarHBondContact N-OD2 2.98Å
177	R	98.4	Very high	98.2	Very high	39 Å²	39	22.1 Å²	22.1	15%	0.147	11%	0.11	C	C	.	.	S	Bend	trans	64.1	11.7	-179.1	-50.2	-169	-64.7	161.7	2.8	116.6	I175 L202 G225 Q240 D245	I175-R177 HydrophobicContact CB-CG 4.39Å; I175-R177 HydrophobicContact CD1-CG 3.7Å; I175-R177 HydrophobicContact CG1-CG 3.81Å; R177-L202 PolarHBondContact NE-O 2.81Å; R177-L202 PolarHBondContact NH2-O 3.37Å; R177-G225 WeakPolarHBondContact O-CA 3.48Å; R177-Q240 HydrophobicContact CG-CB 4.25Å; R177-D245 PolarHBondContact N-OD1 3.34Å
178	D	97.8	Very high	98	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	11%	0.113	C	C	.	.			trans	-150.5	49.1	174.3	-161.7	33.7	0	0	0	111.7	H176 K180 N183 L202 G225 T226	H176-D178 PolarHBondContact ND1-N 3.07Å; H176-D178 PolarHBondContact O-N 2.95Å; D178-K180 PolarHBondContact O-N 2.9Å; D178-K180 IonicContact OD1-NZ 3.94Å; D178-K180 WeakPolarHBondContact OD2-CE 3.23Å; D178-K180 IonicContact OD2-NZ 2.8Å; D178-K180 PolarHBondContact OD2-NZ 3.37Å; D178-N183 PolarHBondContact O-ND2 3.22Å; D178-N183 PolarHBondContact OD2-ND2 3.21Å; D178-L202 HydrophobicContact CB-CD1 3.92Å; D178-G225 WeakPolarHBondContact OD1-CA 3.44Å; D178-T226 WeakPolarHBondContact OD1-CB 3.44Å; D178-T226 PolarHBondContact OD1-N 3.36Å; D178-T226 PolarHBondContact OD1-OG1 3.16Å
179	I	98.7	Very high	97.8	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	13%	0.13	C	C	.	.			trans	-67.6	113.1	176	-61.3	-58	0	0	0	109.3	I166 H176 F184 L197 Y229 D245 M249 V252	I166-I179 HydrophobicContact CD1-CD1 3.93Å; I166-I179 HydrophobicContact CD1-CG1 4.35Å; I166-I179 HydrophobicContact CD1-CG2 4.38Å; I166-I179 HydrophobicContact CG1-CD1 3.97Å; H176-I179 HydrophobicContact CB-CD1 3.63Å; H176-I179 HydrophobicContact CB-CG1 4.25Å; I179-F184 HydrophobicContact CD1-CZ 4.37Å; I179-F184 HydrophobicContact CG2-CE2 4.04Å; I179-F184 HydrophobicContact CG2-CZ 4.48Å; I179-L197 HydrophobicContact CD1-CD1 4.42Å; I179-L197 HydrophobicContact CD1-CD2 4.45Å; I179-Y229 VanDerWaalsContact O-CB 3.32Å; I179-Y229 WeakPolarHBondContact O-CB 3.3Å; I179-D245 HydrophobicContact CG1-CB 4.02Å; I179-M249 HydrophobicContact CG2-CB 4.03Å; I179-V252 HydrophobicContact CG2-CG2 4.32Å
180	K	98.3	Very high	97.5	Very high	21 Å²	21	33.6 Å²	33.6	9%	0.091	17%	0.17	C	C	.	.			trans	-157	157.1	-179.7	68.4	-166.2	-172.2	-158.8	0	110.9	D178 D182 N183 F184 T226 Y229	D178-K180 PolarHBondContact O-N 2.9Å; D178-K180 IonicContact OD1-NZ 3.94Å; D178-K180 WeakPolarHBondContact OD2-CE 3.23Å; D178-K180 IonicContact OD2-NZ 2.8Å; D178-K180 PolarHBondContact OD2-NZ 3.37Å; K180-D182 HydrophobicContact CD-CB 4.43Å; K180-D182 HydrophobicContact CG-CB 4.14Å; K180-D182 PolarHBondContact O-N 3.14Å; K180-D182 VanDerWaalsContact O-N 3.17Å; K180-N183 WeakPolarHBondContact CE-ND2 3.24Å; K180-N183 WeakPolarHBondContact CE-OD1 3.48Å; K180-N183 HydrophobicContact CG-CB 4.18Å; K180-N183 PolarHBondContact O-N 3.28Å; K180-F184 WeakPolarHBondContact O-CD2 3.4Å; K180-T226 VanDerWaalsContact CD-OG1 3.27Å; K180-T226 WeakPolarHBondContact CD-OG1 3.49Å; K180-Y229 HydrophobicContact CB-CD2 3.42Å; K180-Y229 VanDerWaalsContact CB-CD2 3.42Å; K180-Y229 HydrophobicContact CB-CE2 3.57Å; K180-Y229 HydrophobicContact CB-CG 4.4Å
181	P	98.5	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-54	-35.8	-179.1	-27.5	36.5	0	0	0	114.2	L139 E140 N183 F184 Y229 V252 Y255 F256	L139-P181 HydrophobicContact CB-CB 4.19Å; L139-P181 PolarHBondContact N-O 2.78Å; E140-P181 HydrophobicContact CB-CB 3.95Å; P181-N183 PolarHBondContact O-N 3.46Å; P181-F184 PolarHBondContact O-N 3.08Å; P181-Y229 VanDerWaalsContact CD-CE2 3.49Å; P181-Y229 WeakPolarHBondContact CD-OH 3.26Å; P181-V252 HydrophobicContact CG-CG1 3.95Å; P181-Y255 HydrophobicContact CG-CD1 4Å; P181-Y255 HydrophobicContact CG-CE1 3.94Å; P181-F256 HydrophobicContact CB-CE1 3.95Å; P181-F256 HydrophobicContact CB-CZ 3.79Å; P181-F256 HydrophobicContact CG-CE1 3.87Å; P181-F256 HydrophobicContact CG-CZ 3.79Å
182	D	97.1	Very high	97.1	Very high	70 Å²	70	35 Å²	35	37%	0.374	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-63	-26.7	-179.5	-47.4	-105.9	0	0	0	113.3	K180 L185	K180-D182 HydrophobicContact CD-CB 4.43Å; K180-D182 HydrophobicContact CG-CB 4.14Å; K180-D182 PolarHBondContact O-N 3.14Å; K180-D182 VanDerWaalsContact O-N 3.17Å; D182-L185 WeakPolarHBondContact O-CD1 3.41Å
183	N	97.8	Very high	97	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-93.2	1.6	-178.6	-72.1	-7.6	0	0	0	113	D178 K180 P181 L197 I198	D178-N183 PolarHBondContact O-ND2 3.22Å; D178-N183 PolarHBondContact OD2-ND2 3.21Å; K180-N183 WeakPolarHBondContact CE-ND2 3.24Å; K180-N183 WeakPolarHBondContact CE-OD1 3.48Å; K180-N183 HydrophobicContact CG-CB 4.18Å; K180-N183 PolarHBondContact O-N 3.28Å; P181-N183 PolarHBondContact O-N 3.46Å; N183-L197 HydrophobicContact CB-CD1 4.4Å; N183-L197 WeakPolarHBondContact O-CA 3.4Å; N183-I198 HydrophobicContact CB-CG1 4.49Å; N183-I198 WeakPolarHBondContact O-CG1 3.28Å; N183-I198 PolarHBondContact O-N 2.88Å
184	F	98.5	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.1	171.3	-72.1	-83.9	0	0	0	109.7	S138 L139 M162 R165 I166 I179 K180 P181 L195 F196 L197	S138-F184 CarbonylContact C-O 3.53Å; S138-F184 VanDerWaalsContact CA-O 3.31Å; S138-F184 WeakPolarHBondContact CA-O 3.33Å; L139-F184 HydrophobicContact CD1-CB 3.63Å; L139-F184 HydrophobicContact CD1-CG 4.33Å; L139-F184 HydrophobicContact CG-CB 3.79Å; L139-F184 PolarHBondContact N-O 3.39Å; M162-F184 HydrophobicContact CB-CE1 4.12Å; M162-F184 HydrophobicContact CB-CZ 4.33Å; M162-F184 HydrophobicContact CE-CD2 3.86Å; M162-F184 HydrophobicContact CE-CE1 4.37Å; M162-F184 HydrophobicContact CE-CE2 3.54Å; M162-F184 HydrophobicContact CE-CG 4.41Å; M162-F184 HydrophobicContact CE-CZ 3.81Å; M162-F184 HydrophobicContact CG-CD1 4Å; M162-F184 HydrophobicContact CG-CE1 3.83Å; M162-F184 HydrophobicContact CG-CG 4.44Å; M162-F184 HydrophobicContact CG-CZ 4.16Å; R165-F184 HydrophobicContact CB-CE1 4.36Å; I166-F184 HydrophobicContact CD1-CZ 4.29Å; I166-F184 HydrophobicContact CG1-CZ 4.34Å; I179-F184 HydrophobicContact CD1-CZ 4.37Å; I179-F184 HydrophobicContact CG2-CE2 4.04Å; I179-F184 HydrophobicContact CG2-CZ 4.48Å; K180-F184 WeakPolarHBondContact O-CD2 3.4Å; P181-F184 PolarHBondContact O-N 3.08Å; F184-L195 HydrophobicContact CB-CD1 4.09Å; F184-L195 HydrophobicContact CB-CD2 4.26Å; F184-L195 HydrophobicContact CB-CG 4.25Å; F184-L195 HydrophobicContact CD1-CD2 3.61Å; F184-L195 HydrophobicContact CD1-CG 4.03Å; F184-L195 HydrophobicContact CE1-CD2 4.35Å; F184-L195 HydrophobicContact CG-CD2 4.24Å; F184-F196 CarbonylContact C-O 3.58Å; F184-F196 VanDerWaalsContact CA-O 3.26Å; F184-F196 WeakPolarHBondContact CA-O 3.2Å; F184-L197 HydrophobicContact CD1-CB 4.33Å; F184-L197 HydrophobicContact CD1-CD1 4.16Å; F184-L197 HydrophobicContact CD2-CD1 4.45Å; F184-L197 HydrophobicContact CE1-CB 4.1Å; F184-L197 HydrophobicContact CE1-CD1 3.79Å; F184-L197 HydrophobicContact CE1-CD2 4.41Å; F184-L197 HydrophobicContact CE1-CG 4.32Å; F184-L197 HydrophobicContact CE2-CD1 4.07Å; F184-L197 HydrophobicContact CG-CD1 4.49Å; F184-L197 HydrophobicContact CZ-CD1 3.74Å; F184-L197 HydrophobicContact CZ-CD2 4.49Å
185	L	98.3	Very high	97	Very high	26 Å²	26	37.5 Å²	37.5	14%	0.136	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.6	-178.1	-81.7	64.8	0	0	0	110.4	L135 G136 D182 L195 F196 I198	L135-L185 HydrophobicContact CB-CB 4.12Å; L135-L185 HydrophobicContact CB-CD2 3.84Å; L135-L185 HydrophobicContact CD1-CB 3.85Å; L135-L185 HydrophobicContact CD1-CD2 4.14Å; G136-L185 WeakPolarHBondContact O-CD2 3.31Å; D182-L185 WeakPolarHBondContact O-CD1 3.41Å; L185-L195 CarbonylContact O-C 3.58Å; L185-F196 PolarHBondContact N-O 2.8Å; L185-F196 PolarHBondContact O-N 3.17Å; L185-I198 HydrophobicContact CD1-CD1 3.45Å; L185-I198 VanDerWaalsContact CD1-CD1 3.45Å; L185-I198 HydrophobicContact CD1-CG1 3.85Å; L185-I198 HydrophobicContact CD2-CD1 3.88Å; L185-I198 HydrophobicContact CG-CD1 4.29Å
186	M	98.4	Very high	97	Very high	5 Å²	5	38 Å²	38	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	149.2	167	-62.1	-57.6	-65.9	0	0	109.7	G136 P137 L139 L142 C192 N193 L195 F338 W340	G136-M186 WeakPolarHBondContact CA-O 3.43Å; G136-M186 PolarHBondContact N-O 2.7Å; P137-M186 PolarHBondContact O-N 2.96Å; P137-M186 VanDerWaalsContact O-N 3.07Å; L139-M186 HydrophobicContact CD2-SD 4.43Å; L142-M186 HydrophobicContact CD1-CB 4.49Å; L142-M186 HydrophobicContact CD1-CG 3.52Å; M186-C192 WeakPolarHBondContact CE-O 3.47Å; M186-N193 VanDerWaalsContact CE-C 3.41Å; M186-L195 HydrophobicContact CG-CD1 4.49Å; M186-L195 HydrophobicContact SD-CB 4.38Å; M186-L195 HydrophobicContact SD-CD1 3.42Å; M186-L195 WeakPolarHBondContact SD-CD1 3.27Å; M186-F338 HydrophobicContact CE-CE2 4Å; M186-F338 HydrophobicContact CE-CZ 4.34Å; M186-W340 HydrophobicContact CE-CZ2 4.2Å; M186-W340 HydrophobicContact CG-CZ2 4.17Å; M186-W340 HydrophobicContact SD-CZ2 4.08Å
187	G	97.4	Very high	97	Very high	5 Å²	5	38.1 Å²	38.1	5%	0.052	19%	0.19	C	C	.	.			trans	-69	-178.3	170.9	0	0	0	0	0	113.1	H191 C192 R194	G187-H191 VanDerWaalsContact CA-O 3.24Å; G187-H191 WeakPolarHBondContact CA-O 3.49Å; G187-H191 PolarHBondContact N-O 3.33Å; G187-C192 WeakPolarHBondContact O-CA 3.44Å; G187-R194 PolarHBondContact N-O 3.12Å
188	I	94.4	Very high	96.9	Very high	62 Å²	62	37.8 Å²	37.8	32%	0.318	19%	0.191	S	C	.	.			trans	-115.9	164	172.5	59.2	175.7	0	0	0	111	L134 R190 H191	L134-I188 HydrophobicContact CB-CD1 4.39Å; L134-I188 WeakPolarHBondContact O-CD1 3.36Å; I188-R190 PolarHBondContact O-N 2.97Å; I188-H191 PolarHBondContact O-N 3.25Å
189	G	94.1	Very high	96.8	Very high	55 Å²	55	38.2 Å²	38.2	57%	0.567	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	53.7	-127.8	177.8	0	0	0	0	0	112.4	H191 C192	G189-H191 PolarHBondContact O-N 3.08Å; G189-C192 VanDerWaalsContact O-CB 3.28Å; G189-C192 WeakPolarHBondContact O-CB 3.14Å; G189-C192 PolarHBondContact O-N 3.46Å; G189-C192 PolarHBondContact O-SG 3.12Å
190	R	92.7	Very high	96.6	Very high	226 Å²	226	38.2 Å²	38.2	85%	0.853	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-60.9	-13.5	177.7	69.7	179.8	-176	-171.8	-3	114.8	I188	I188-R190 PolarHBondContact O-N 2.97Å
191	H	93.3	Very high	96.4	Very high	54 Å²	54	37.5 Å²	37.5	25%	0.25	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-105	11.8	179.2	-58.7	-50.3	0	0	0	112.7	G187 I188 G189 N193 R194 F196	G187-H191 VanDerWaalsContact CA-O 3.24Å; G187-H191 WeakPolarHBondContact CA-O 3.49Å; G187-H191 PolarHBondContact N-O 3.33Å; I188-H191 PolarHBondContact O-N 3.25Å; G189-H191 PolarHBondContact O-N 3.08Å; H191-N193 PolarHBondContact O-N 3.16Å; H191-R194 HydrophobicContact CB-CB 4.37Å; H191-R194 WeakPolarHBondContact O-CB 3.42Å; H191-R194 PolarHBondContact O-N 3.3Å; H191-F196 HydrophobicContact CB-CE2 4.36Å; H191-F196 HydrophobicContact CB-CZ 4.46Å
192	C	94.3	Very high	96.3	Very high	54 Å²	54	38.8 Å²	38.8	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.9	-176.6	64	0	0	0	0	115.4	M186 G187 G189	M186-C192 WeakPolarHBondContact CE-O 3.47Å; G187-C192 WeakPolarHBondContact O-CA 3.44Å; G189-C192 VanDerWaalsContact O-CB 3.28Å; G189-C192 WeakPolarHBondContact O-CB 3.14Å; G189-C192 PolarHBondContact O-N 3.46Å; G189-C192 PolarHBondContact O-SG 3.12Å
193	N	95.4	Very high	96.3	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.4	177.4	-66.7	-25	0	0	0	113.5	Q161 M186 H191 Y336	Q161-N193 PolarHBondContact NE2-O 3Å; M186-N193 VanDerWaalsContact CE-C 3.41Å; H191-N193 PolarHBondContact O-N 3.16Å; N193-Y336 HydrophobicContact CB-CD1 3.69Å; N193-Y336 HydrophobicContact CB-CE1 4.41Å; N193-Y336 HydrophobicContact CB-CG 3.86Å; N193-Y336 VanDerWaalsContact CG-CB 3.46Å; N193-Y336 WeakPolarHBondContact ND2-CB 3.27Å
194	R	97.7	Very high	96.3	Very high	96 Å²	96	37.8 Å²	37.8	36%	0.362	19%	0.191	S	C	.	.			trans	-94.5	124.8	178.7	-177.4	178.5	-67.1	-178	-2.6	109.4	G187 H191 F196	G187-R194 PolarHBondContact N-O 3.12Å; H191-R194 HydrophobicContact CB-CB 4.37Å; H191-R194 WeakPolarHBondContact O-CB 3.42Å; H191-R194 PolarHBondContact O-N 3.3Å; R194-F196 HydrophobicContact CB-CE2 4Å; R194-F196 HydrophobicContact CG-CD2 4.32Å; R194-F196 HydrophobicContact CG-CE2 3.79Å; R194-F196 HydrophobicContact CG-CZ 4.22Å; R194-F196 WeakPolarHBondContact O-CD2 3.27Å
195	L	98.5	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.3	171.9	-161.5	70.6	0	0	0	110.4	L139 L158 Q161 M162 R165 F184 L185 M186	L139-L195 HydrophobicContact CD1-CD1 4.05Å; L139-L195 HydrophobicContact CD1-CD2 4.36Å; L139-L195 HydrophobicContact CD2-CD1 3.76Å; L139-L195 HydrophobicContact CG-CD1 3.95Å; L158-L195 HydrophobicContact CD2-CD1 4.1Å; L158-L195 HydrophobicContact CD2-CD2 4.3Å; Q161-L195 HydrophobicContact CB-CB 3.95Å; Q161-L195 HydrophobicContact CB-CD2 4.16Å; M162-L195 HydrophobicContact CB-CD2 4.42Å; M162-L195 HydrophobicContact CG-CD2 3.39Å; R165-L195 PolarHBondContact NE-O 3.46Å; F184-L195 HydrophobicContact CB-CD1 4.09Å; F184-L195 HydrophobicContact CB-CD2 4.26Å; F184-L195 HydrophobicContact CB-CG 4.25Å; F184-L195 HydrophobicContact CD1-CD2 3.61Å; F184-L195 HydrophobicContact CD1-CG 4.03Å; F184-L195 HydrophobicContact CE1-CD2 4.35Å; F184-L195 HydrophobicContact CG-CD2 4.24Å; L185-L195 CarbonylContact O-C 3.58Å; M186-L195 HydrophobicContact CG-CD1 4.49Å; M186-L195 HydrophobicContact SD-CB 4.38Å; M186-L195 HydrophobicContact SD-CD1 3.42Å; M186-L195 WeakPolarHBondContact SD-CD1 3.27Å
196	F	98.6	Very high	96.3	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.3	176	-69.6	-106.2	0	0	0	109.4	G114 P116 L135 F184 L185 H191 R194	G114-F196 VanDerWaalsContact CA-CD1 3.5Å; G114-F196 WeakPolarHBondContact O-CA 3.41Å; G114-F196 WeakPolarHBondContact O-CD1 3.42Å; P116-F196 HydrophobicContact CG-CD1 4.22Å; L135-F196 HydrophobicContact CD1-CB 3.59Å; L135-F196 HydrophobicContact CD1-CD1 4.19Å; L135-F196 HydrophobicContact CD1-CD2 4.36Å; L135-F196 HydrophobicContact CD1-CG 3.81Å; L135-F196 HydrophobicContact CD2-CD1 3.95Å; L135-F196 HydrophobicContact CD2-CD2 3.94Å; L135-F196 HydrophobicContact CD2-CE1 4.05Å; L135-F196 HydrophobicContact CD2-CE2 4.05Å; L135-F196 HydrophobicContact CD2-CG 3.9Å; L135-F196 HydrophobicContact CD2-CZ 4.1Å; F184-F196 CarbonylContact C-O 3.58Å; F184-F196 VanDerWaalsContact CA-O 3.26Å; F184-F196 WeakPolarHBondContact CA-O 3.2Å; L185-F196 PolarHBondContact N-O 2.8Å; L185-F196 PolarHBondContact O-N 3.17Å; H191-F196 HydrophobicContact CB-CE2 4.36Å; H191-F196 HydrophobicContact CB-CZ 4.46Å; R194-F196 HydrophobicContact CB-CE2 4Å; R194-F196 HydrophobicContact CG-CD2 4.32Å; R194-F196 HydrophobicContact CG-CE2 3.79Å; R194-F196 HydrophobicContact CG-CZ 4.22Å; R194-F196 WeakPolarHBondContact O-CD2 3.27Å
197	L	98.3	Very high	96.2	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.4	170.1	177.2	56.9	0	0	0	108	G114 R165 I166 H176 I179 N183 F184 Y200	G114-L197 PolarHBondContact O-N 3.32Å; G114-L197 VanDerWaalsContact O-N 3.15Å; R165-L197 HydrophobicContact CB-CB 3.86Å; R165-L197 HydrophobicContact CB-CD2 4.17Å; R165-L197 HydrophobicContact CG-CB 4.32Å; I166-L197 HydrophobicContact CG1-CD2 4.3Å; H176-L197 WeakPolarHBondContact NE2-CD1 3.48Å; I179-L197 HydrophobicContact CD1-CD1 4.42Å; I179-L197 HydrophobicContact CD1-CD2 4.45Å; N183-L197 HydrophobicContact CB-CD1 4.4Å; N183-L197 WeakPolarHBondContact O-CA 3.4Å; F184-L197 HydrophobicContact CD1-CB 4.33Å; F184-L197 HydrophobicContact CD1-CD1 4.16Å; F184-L197 HydrophobicContact CD2-CD1 4.45Å; F184-L197 HydrophobicContact CE1-CB 4.1Å; F184-L197 HydrophobicContact CE1-CD1 3.79Å; F184-L197 HydrophobicContact CE1-CD2 4.41Å; F184-L197 HydrophobicContact CE1-CG 4.32Å; F184-L197 HydrophobicContact CE2-CD1 4.07Å; F184-L197 HydrophobicContact CG-CD1 4.49Å; F184-L197 HydrophobicContact CZ-CD1 3.74Å; F184-L197 HydrophobicContact CZ-CD2 4.49Å; L197-Y200 HydrophobicContact CG-CE1 4.3Å; L197-Y200 PolarHBondContact O-OH 2.77Å
198	I	96.9	Very high	96.2	Very high	32 Å²	32	43.6 Å²	43.6	16%	0.164	22%	0.216	C	C	.	.			trans	-130.5	177.1	-174.7	67.7	161	0	0	0	111.8	P116 L135 H176 N183 L185	P116-I198 HydrophobicContact CG-CG2 3.8Å; L135-I198 HydrophobicContact CD1-CG2 3.81Å; H176-I198 PolarHBondContact CE1-O 3.01Å; H176-I198 PolarHBondContact NE2-O 3.06Å; N183-I198 HydrophobicContact CB-CG1 4.49Å; N183-I198 WeakPolarHBondContact O-CG1 3.28Å; N183-I198 PolarHBondContact O-N 2.88Å; L185-I198 HydrophobicContact CD1-CD1 3.45Å; L185-I198 VanDerWaalsContact CD1-CD1 3.45Å; L185-I198 HydrophobicContact CD1-CG1 3.85Å; L185-I198 HydrophobicContact CD2-CD1 3.88Å; L185-I198 HydrophobicContact CG-CD1 4.29Å
199	D	94.7	Very high	96.2	Very high	16 Å²	16	44.3 Å²	44.3	9%	0.086	23%	0.226	C	C	.	.			trans	66.1	67.4	176.4	-160.4	14.3	0	0	0	113.7	K88 E102 Y106 H176 G201	K88-D199 IonicContact NZ-OD1 2.6Å; K88-D199 PolarHBondContact NZ-OD1 3.15Å; E102-D199 WeakPolarHBondContact OE1-CA 3.19Å; Y106-D199 PolarHBondContact OH-N 3.42Å; H176-D199 PolarHBondContact CE1-O 3.15Å; D199-G201 PolarHBondContact O-N 2.7Å
200	Y	96	Very high	96.2	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.016	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-82.7	14.3	177.9	-55.6	-63.5	0	0	0	113.6	E102 V105 Y106 L109 L169 H176 L197 L202 A203	E102-Y200 PolarHBondContact OE1-N 2.81Å; V105-Y200 HydrophobicContact CG1-CD1 4.49Å; V105-Y200 HydrophobicContact CG1-CD2 4.26Å; V105-Y200 HydrophobicContact CG1-CG 3.94Å; Y106-Y200 AromaticContact CD1-CD2 3.67Å; Y106-Y200 HydrophobicContact CD1-CD2 3.67Å; Y106-Y200 AromaticContact CD1-CE2 3.51Å; Y106-Y200 HydrophobicContact CD1-CE2 3.51Å; Y106-Y200 HydrophobicContact CD2-CD2 4.13Å; Y106-Y200 AromaticContact CE1-CD2 3.46Å; Y106-Y200 HydrophobicContact CE1-CD2 3.46Å; Y106-Y200 VanDerWaalsContact CE1-CD2 3.46Å; Y106-Y200 AromaticContact CE1-CE2 3.25Å; Y106-Y200 HydrophobicContact CE1-CE2 3.25Å; Y106-Y200 AromaticContact CE2-CD2 3.97Å; Y106-Y200 HydrophobicContact CE2-CD2 3.97Å; Y106-Y200 AromaticContact CG-CD2 3.97Å; Y106-Y200 HydrophobicContact CG-CD2 3.97Å; Y106-Y200 HydrophobicContact CG-CE2 4.25Å; Y106-Y200 AromaticContact CZ-CD2 3.6Å; Y106-Y200 AromaticContact CZ-CE2 3.85Å; L109-Y200 HydrophobicContact CD1-CD1 4.21Å; L109-Y200 HydrophobicContact CD1-CD2 3.98Å; L109-Y200 HydrophobicContact CD1-CE1 3.82Å; L109-Y200 HydrophobicContact CD1-CE2 3.54Å; L109-Y200 HydrophobicContact CD1-CG 4.29Å; L109-Y200 VanDerWaalsContact CD1-CZ 3.45Å; L169-Y200 HydrophobicContact CD1-CD1 4.2Å; L169-Y200 HydrophobicContact CD1-CE1 3.94Å; L169-Y200 HydrophobicContact CD2-CE1 4.29Å; H176-Y200 AromaticContact CD2-CD1 3.85Å; H176-Y200 AromaticContact CD2-CE1 3.86Å; H176-Y200 AromaticContact NE2-CD1 3.94Å; L197-Y200 HydrophobicContact CG-CE1 4.3Å; L197-Y200 PolarHBondContact O-OH 2.77Å; Y200-L202 PolarHBondContact O-N 3.46Å; Y200-A203 HydrophobicContact CD1-CB 4.45Å; Y200-A203 VanDerWaalsContact O-CB 3.25Å; Y200-A203 WeakPolarHBondContact O-CB 3.3Å; Y200-A203 PolarHBondContact O-N 2.96Å
201	G	93.9	Very high	96.4	Very high	6 Å²	6	45 Å²	45	6%	0.062	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.6	-33.1	-179.8	0	0	0	0	0	113	Q98 D199	Q98-G201 PolarHBondContact OE1-O 3.2Å; Q98-G201 VanDerWaalsContact OE1-O 3.07Å; D199-G201 PolarHBondContact O-N 2.7Å
202	L	95.3	Very high	96.6	Very high	26 Å²	26	48.6 Å²	48.6	14%	0.136	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-95.4	0.8	175.5	-63.4	-179.5	0	0	0	113.9	F70 H176 R177 D178 Y200 T224	F70-L202 HydrophobicContact CE2-CD2 4.29Å; F70-L202 HydrophobicContact CE2-CG 4.25Å; F70-L202 HydrophobicContact CZ-CD2 3.95Å; F70-L202 HydrophobicContact CZ-CG 4.33Å; H176-L202 CarbonylContact O-C 3.54Å; R177-L202 PolarHBondContact NE-O 2.81Å; R177-L202 PolarHBondContact NH2-O 3.37Å; D178-L202 HydrophobicContact CB-CD1 3.92Å; Y200-L202 PolarHBondContact O-N 3.46Å; L202-T224 HydrophobicContact CB-CG2 4.4Å; L202-T224 HydrophobicContact CD1-CG2 4.16Å; L202-T224 HydrophobicContact CD2-CG2 4Å; L202-T224 HydrophobicContact CG-CG2 4.43Å
203	A	97.4	Very high	96.8	Very high	4 Å²	4	53 Å²	53	3%	0.033	25%	0.247	C	C	.	.			trans	-61.5	155	179.6	0	0	0	0	0	111.2	Y101 I175 Y200	Y101-A203 VanDerWaalsContact CE1-O 3.3Å; Y101-A203 WeakPolarHBondContact CE1-O 3.49Å; Y101-A203 PolarHBondContact OH-O 3.48Å; I175-A203 CarbonylContact O-C 3.57Å; I175-A203 WeakPolarHBondContact O-CA 3.4Å; I175-A203 WeakPolarHBondContact O-CB 3.35Å; Y200-A203 HydrophobicContact CD1-CB 4.45Å; Y200-A203 VanDerWaalsContact O-CB 3.25Å; Y200-A203 WeakPolarHBondContact O-CB 3.3Å; Y200-A203 PolarHBondContact O-N 2.96Å
204	K	97.6	Very high	96.9	Very high	53 Å²	53	51.4 Å²	51.4	23%	0.23	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.6	178.7	-178.3	173	170.5	-179.1	0	110.7	F174 I175 Y206 E239	F174-K204 CarbonylContact C-O 3.45Å; F174-K204 VanDerWaalsContact CA-O 3.27Å; F174-K204 WeakPolarHBondContact CA-O 3.46Å; I175-K204 HydrophobicContact CG1-CB 4.21Å; I175-K204 WeakPolarHBondContact CG1-O 3.43Å; I175-K204 PolarHBondContact N-O 3.15Å; I175-K204 PolarHBondContact O-N 3.32Å; K204-Y206 PolarHBondContact O-N 3.12Å; K204-E239 IonicContact NZ-OE1 2.76Å; K204-E239 PolarHBondContact NZ-OE1 3.17Å; K204-E239 IonicContact NZ-OE2 2.8Å; K204-E239 PolarHBondContact NZ-OE2 3.39Å
205	K	98	Very high	97	Very high	75 Å²	75	48.4 Å²	48.4	33%	0.326	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.6	172	-165.7	178.7	-169.8	-176.9	0	108.7	G173 F174 R207 D208 S209	G173-K205 WeakPolarHBondContact O-CA 3.25Å; F174-K205 HydrophobicContact CD1-CB 4.34Å; F174-K205 HydrophobicContact CE1-CB 4.08Å; F174-K205 HydrophobicContact CZ-CB 4.44Å; K205-R207 WeakPolarHBondContact CE-O 3.41Å; K205-R207 VanDerWaalsContact CG-O 3.23Å; K205-R207 WeakPolarHBondContact CG-O 3.48Å; K205-D208 IonicContact NZ-OD2 3.09Å; K205-S209 WeakPolarHBondContact CE-OG 3.49Å; K205-S209 PolarHBondContact NZ-OG 3.06Å
206	Y	98.6	Very high	96.9	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	25%	0.25	C	S	.	.			trans	-101.1	-10.2	-177.7	80.1	-91.7	0	0	0	113	H170 G173 I175 K204 H214 I215 R242	H170-Y206 HydrophobicContact CB-CE1 4.48Å; H170-Y206 WeakPolarHBondContact O-CE1 3.26Å; H170-Y206 PolarHBondContact O-OH 2.99Å; H170-Y206 VanDerWaalsContact O-OH 3.1Å; G173-Y206 VanDerWaalsContact C-CE1 3.45Å; G173-Y206 VanDerWaalsContact O-CD1 3.23Å; G173-Y206 WeakPolarHBondContact O-CD1 3.38Å; G173-Y206 PolarHBondContact O-N 3.19Å; I175-Y206 HydrophobicContact CG2-CD1 3.81Å; I175-Y206 HydrophobicContact CG2-CG 4.06Å; K204-Y206 PolarHBondContact O-N 3.12Å; Y206-H214 AromaticContact CD2-CD2 3.51Å; Y206-H214 AromaticContact CD2-NE2 3.39Å; Y206-H214 WeakPolarHBondContact CD2-NE2 3.32Å; Y206-H214 AromaticContact CE2-CD2 3.85Å; Y206-H214 CarbonylContact O-C 3.56Å; Y206-I215 WeakPolarHBondContact O-CG1 3.25Å; Y206-I215 WeakPolarHBondContact O-CG2 3.49Å; Y206-I215 PolarHBondContact O-N 3.44Å; Y206-R242 HydrophobicContact CD1-CG 4.37Å; Y206-R242 HydrophobicContact CD2-CG 4.39Å; Y206-R242 HydrophobicContact CE1-CG 3.99Å; Y206-R242 HydrophobicContact CE2-CG 4.04Å; Y206-R242 VanDerWaalsContact CE2-CZ 3.47Å; Y206-R242 VanDerWaalsContact CZ-CD 3.43Å; Y206-R242 VanDerWaalsContact OH-CD 3.24Å; Y206-R242 WeakPolarHBondContact OH-CD 2.84Å; Y206-R242 PolarHBondContact OH-NE 2.87Å; Y206-R242 PolarHBondContact OH-NH1 3.27Å
207	R	97.9	Very high	96.9	Very high	25 Å²	25	56.6 Å²	56.6	9%	0.094	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-150.7	156	175.3	63.2	174.3	171.3	-157.1	-9.6	111.3	H170 V171 K205 Q213	H170-R207 PolarHBondContact O-NH2 2.7Å; V171-R207 PolarHBondContact O-NH2 3.22Å; K205-R207 WeakPolarHBondContact CE-O 3.41Å; K205-R207 VanDerWaalsContact CG-O 3.23Å; K205-R207 WeakPolarHBondContact CG-O 3.48Å; R207-Q213 CarbonylContact C-O 3.56Å; R207-Q213 WeakPolarHBondContact CA-O 3.47Å; R207-Q213 VanDerWaalsContact CB-O 3.27Å; R207-Q213 WeakPolarHBondContact CB-O 3.43Å
208	D	97.2	Very high	96.9	Very high	57 Å²	57	63.4 Å²	63.4	31%	0.305	29%	0.294	S	S	.	.			trans	-64	145.1	170.9	-174.9	-108.8	0	0	0	111.8	K205 R210 T211 R212 Q213	K205-D208 IonicContact NZ-OD2 3.09Å; D208-R210 WeakPolarHBondContact OD1-CA 3.42Å; D208-R210 WeakPolarHBondContact OD1-CB 3.23Å; D208-R210 PolarHBondContact OD1-N 2.87Å; D208-T211 WeakPolarHBondContact CB-OG1 3.42Å; D208-T211 PolarHBondContact OD1-N 2.98Å; D208-T211 PolarHBondContact OD1-OG1 3.26Å; D208-R212 VanDerWaalsContact O-CA 3.27Å; D208-R212 WeakPolarHBondContact O-CA 3.15Å; D208-R212 PolarHBondContact O-N 3.49Å; D208-Q213 PolarHBondContact N-O 3.22Å
209	S	93.6	Very high	96.8	Very high	76 Å²	76	65.8 Å²	65.8	53%	0.531	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-31	-176.5	-62	0	0	0	0	112.2	K205	K205-S209 WeakPolarHBondContact CE-OG 3.49Å; K205-S209 PolarHBondContact NZ-OG 3.06Å
210	R	94.9	Very high	96.8	Very high	220 Å²	220	72.8 Å²	72.8	83%	0.83	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-55.1	-176.2	-176.9	179.5	67.1	121.8	-0.4	111.2	D208 R212	D208-R210 WeakPolarHBondContact OD1-CA 3.42Å; D208-R210 WeakPolarHBondContact OD1-CB 3.23Å; D208-R210 PolarHBondContact OD1-N 2.87Å; R210-R212 VanDerWaalsContact C-N 3.32Å
211	T	97	Very high	96.7	Very high	76 Å²	76	76.1 Å²	76.1	47%	0.466	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-15	-175.5	70.3	0	0	0	0	113	D208 Q213	D208-T211 WeakPolarHBondContact CB-OG1 3.42Å; D208-T211 PolarHBondContact OD1-N 2.98Å; D208-T211 PolarHBondContact OD1-OG1 3.26Å; T211-Q213 PolarHBondContact O-N 3.04Å; T211-Q213 VanDerWaalsContact OG1-CB 3.3Å; T211-Q213 WeakPolarHBondContact OG1-CB 3.48Å; T211-Q213 PolarHBondContact OG1-N 3.08Å
212	R	96.4	Very high	96.7	Very high	129 Å²	129	82.7 Å²	82.7	49%	0.487	39%	0.393	S	S	.	.			trans	60.5	8.9	-173.8	-53.1	-70.9	-77.9	-162.8	-17	114	V171 D208 R210 H214	V171-R212 PolarHBondContact O-NH1 3.46Å; D208-R212 VanDerWaalsContact O-CA 3.27Å; D208-R212 WeakPolarHBondContact O-CA 3.15Å; D208-R212 PolarHBondContact O-N 3.49Å; R210-R212 VanDerWaalsContact C-N 3.32Å; R212-H214 PolarHBondContact O-N 2.89Å
213	Q	98.1	Very high	96.7	Very high	146 Å²	146	83.3 Å²	83.3	68%	0.682	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-61.1	127.4	176.2	-174.3	177.4	31.8	0	0	109.9	R207 D208 T211	R207-Q213 CarbonylContact C-O 3.56Å; R207-Q213 WeakPolarHBondContact CA-O 3.47Å; R207-Q213 VanDerWaalsContact CB-O 3.27Å; R207-Q213 WeakPolarHBondContact CB-O 3.43Å; D208-Q213 PolarHBondContact N-O 3.22Å; T211-Q213 PolarHBondContact O-N 3.04Å; T211-Q213 VanDerWaalsContact OG1-CB 3.3Å; T211-Q213 WeakPolarHBondContact OG1-CB 3.48Å; T211-Q213 PolarHBondContact OG1-N 3.08Å
214	H	98.7	Very high	96.5	Very high	25 Å²	25	84.9 Å²	84.9	12%	0.116	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-69.8	152.5	178.5	-157.8	-85.1	0	0	0	110.8	Y206 R212 F310 E311	Y206-H214 AromaticContact CD2-CD2 3.51Å; Y206-H214 AromaticContact CD2-NE2 3.39Å; Y206-H214 WeakPolarHBondContact CD2-NE2 3.32Å; Y206-H214 AromaticContact CE2-CD2 3.85Å; Y206-H214 CarbonylContact O-C 3.56Å; R212-H214 PolarHBondContact O-N 2.89Å; H214-F310 AromaticContact CE1-CD1 3.91Å; H214-F310 AromaticContact CE1-CE1 3.5Å; H214-F310 VanDerWaalsContact CE1-CE1 3.5Å; H214-F310 WeakPolarHBondContact CE1-CE1 3.5Å; H214-F310 AromaticContact CE1-CZ 3.63Å; H214-F310 AromaticContact ND1-CE1 3.47Å; H214-F310 WeakPolarHBondContact ND1-CE1 3.48Å; H214-F310 AromaticContact ND1-CZ 3.95Å; H214-F310 PolarHBondContact NE2-O 3.07Å; H214-E311 HydrophobicContact CB-CB 4.33Å; H214-E311 HydrophobicContact CB-CG 4.03Å
215	I	98.5	Very high	96.3	Very high	33 Å²	33	83.3 Å²	83.3	17%	0.169	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-59.7	147.3	167.2	57.8	173.4	0	0	0	109.4	Y206 E239 F310	Y206-I215 WeakPolarHBondContact O-CG1 3.25Å; Y206-I215 WeakPolarHBondContact O-CG2 3.49Å; Y206-I215 PolarHBondContact O-N 3.44Å; I215-E239 HydrophobicContact CD1-CG 3.9Å; I215-F310 HydrophobicContact CD1-CZ 4.35Å; I215-F310 HydrophobicContact CG1-CZ 4.06Å; I215-F310 VanDerWaalsContact O-CE1 3.31Å; I215-F310 WeakPolarHBondContact O-CE1 3.48Å
216	P	98	Very high	96.2	Very high	71 Å²	71	81.8 Å²	81.8	46%	0.461	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-65.9	149.1	178.6	28.1	-35.8	0	0	0	111.2
217	Y	98.3	Very high	96.1	Very high	113 Å²	113	82 Å²	82	44%	0.443	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62.1	135.4	168.7	-174.5	-84.1	0	0	0	110	D219 V238 F310	Y217-D219 WeakPolarHBondContact CE1-OD1 3.42Å; Y217-D219 WeakPolarHBondContact CE1-OD2 3.42Å; Y217-D219 PolarHBondContact OH-OD1 3.07Å; Y217-V238 HydrophobicContact CD2-CG1 4.38Å; Y217-V238 HydrophobicContact CE2-CG1 3.5Å; Y217-V238 VanDerWaalsContact CE2-CG1 3.5Å; Y217-V238 WeakPolarHBondContact OH-CG1 3.41Å; Y217-V238 WeakPolarHBondContact OH-CG2 3.49Å; Y217-F310 HydrophobicContact CD2-CB 3.89Å; Y217-F310 AromaticContact CD2-CD1 3.85Å; Y217-F310 HydrophobicContact CD2-CD1 3.85Å; Y217-F310 HydrophobicContact CD2-CD2 4.08Å; Y217-F310 HydrophobicContact CD2-CE1 4.37Å; Y217-F310 AromaticContact CD2-CG 3.67Å; Y217-F310 HydrophobicContact CD2-CG 3.67Å; Y217-F310 HydrophobicContact CE2-CB 4.41Å; Y217-F310 HydrophobicContact CE2-CG 4.43Å; Y217-F310 HydrophobicContact CG-CD1 4.4Å
218	R	97.7	Very high	96.1	Very high	143 Å²	143	84.8 Å²	84.8	54%	0.54	41%	0.414	S	S	.	.			trans	-147.7	142.8	178	-61.4	-177.5	-178.6	-176.4	0.3	109.7	E239	R218-E239 HydrophobicContact CB-CB 4.17Å; R218-E239 WeakPolarHBondContact O-CB 3.49Å; R218-E239 PolarHBondContact O-N 3.15Å
219	D	95.1	Very high	96.1	Very high	82 Å²	82	82.2 Å²	82.2	44%	0.439	40%	0.4	S	S	.	.			trans	-101.1	-166.2	168.9	-56.7	-53.8	0	0	0	110.2	Y217 K221 G237	Y217-D219 WeakPolarHBondContact CE1-OD1 3.42Å; Y217-D219 WeakPolarHBondContact CE1-OD2 3.42Å; Y217-D219 PolarHBondContact OH-OD1 3.07Å; D219-K221 PolarHBondContact O-N 2.87Å; D219-G237 CarbonylContact C-O 3.55Å; D219-G237 VanDerWaalsContact C-O 3.22Å; D219-G237 WeakPolarHBondContact CA-O 3.41Å
220	D	93.9	Very high	96.4	Very high	163 Å²	163	78.9 Å²	78.9	87%	0.872	38%	0.378	S	S	*	.			trans	57.3	30.1	178.1	-57.3	-41.6	0	0	0	115.1	G237	D220-G237 PolarHBondContact N-O 3Å; D220-G237 VanDerWaalsContact N-O 3.13Å
221	K	95.5	Very high	96.5	Very high	75 Å²	75	68.4 Å²	68.4	33%	0.326	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-84.3	139.4	173.4	-53.2	-56.8	-60.6	-169.9	0	110.8	D219 G237 E239	D219-K221 PolarHBondContact O-N 2.87Å; K221-G237 VanDerWaalsContact CB-O 3.24Å; K221-G237 WeakPolarHBondContact CB-O 3.15Å; K221-G237 WeakPolarHBondContact CG-O 3.3Å; K221-G237 PolarHBondContact N-O 3Å; K221-G237 WeakPolarHBondContact O-CA 3.41Å; K221-E239 VanDerWaalsContact CE-OE2 3.29Å; K221-E239 WeakPolarHBondContact CE-OE2 3.41Å; K221-E239 HydrophobicContact CG-CB 4.1Å; K221-E239 IonicContact NZ-OE2 2.88Å; K221-E239 PolarHBondContact NZ-OE2 3.25Å
222	N	93.8	Very high	96.6	Very high	144 Å²	144	66 Å²	66	77%	0.77	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-69.8	140	165.6	-70	-43.8	0	0	0	110.5	T224	N222-T224 PolarHBondContact O-N 3.22Å; N222-T224 PolarHBondContact O-OG1 3.16Å
223	L	93.9	Very high	96.7	Very high	38 Å²	38	61.3 Å²	61.3	20%	0.199	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-53.7	117	173.6	179.8	66	0	0	0	110.3	A227 A230 A234 Y275	L223-A227 HydrophobicContact CD2-CB 3.79Å; L223-A230 HydrophobicContact CD1-CB 3.74Å; L223-A234 HydrophobicContact CD1-CB 3.9Å; L223-A234 WeakPolarHBondContact CD1-O 3.18Å; L223-Y275 HydrophobicContact CD2-CD1 4.48Å; L223-Y275 HydrophobicContact CD2-CD2 3.71Å; L223-Y275 HydrophobicContact CD2-CE2 3.89Å; L223-Y275 HydrophobicContact CD2-CG 3.98Å
224	T	93.3	Very high	96.7	Very high	37 Å²	37	54.5 Å²	54.5	23%	0.227	28%	0.275	C	S	.	.			trans	-108.5	133.2	176.9	-58.7	0	0	0	0	109	L202 N222 Q240	L202-T224 HydrophobicContact CB-CG2 4.4Å; L202-T224 HydrophobicContact CD1-CG2 4.16Å; L202-T224 HydrophobicContact CD2-CG2 4Å; L202-T224 HydrophobicContact CG-CG2 4.43Å; N222-T224 PolarHBondContact O-N 3.22Å; N222-T224 PolarHBondContact O-OG1 3.16Å; T224-Q240 PolarHBondContact O-NE2 3.12Å
225	G	93.4	Very high	96.6	Very high	20 Å²	20	54.7 Å²	54.7	21%	0.206	28%	0.276	C	S	.	.	S	Bend	trans	94.8	-167.5	-178.2	0	0	0	0	0	114.2	R177 D178 A227	R177-G225 WeakPolarHBondContact O-CA 3.48Å; D178-G225 WeakPolarHBondContact OD1-CA 3.44Å; G225-A227 PolarHBondContact O-N 3.27Å
226	T	95.4	Very high	96.5	Very high	43 Å²	43	57.6 Å²	57.6	26%	0.264	29%	0.292	S	S	.	.			trans	-83.3	109.7	-173.9	-57.7	0	0	0	0	111.9	D178 K180 R228 Y229 A230	D178-T226 WeakPolarHBondContact OD1-CB 3.44Å; D178-T226 PolarHBondContact OD1-N 3.36Å; D178-T226 PolarHBondContact OD1-OG1 3.16Å; K180-T226 VanDerWaalsContact CD-OG1 3.27Å; K180-T226 WeakPolarHBondContact CD-OG1 3.49Å; T226-R228 HydrophobicContact CG2-CB 4.19Å; T226-R228 PolarHBondContact O-N 3.35Å; T226-Y229 HydrophobicContact CG2-CD2 3.84Å; T226-Y229 HydrophobicContact CG2-CE2 4.18Å; T226-Y229 PolarHBondContact O-N 2.93Å; T226-A230 PolarHBondContact O-N 2.93Å
227	A	97	Very high	96.4	Very high	7 Å²	7	54.6 Å²	54.6	6%	0.058	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-32.9	-176.1	0	0	0	0	0	115.3	L223 G225 Y229 H235 Y275 I278 K282	L223-A227 HydrophobicContact CD2-CB 3.79Å; G225-A227 PolarHBondContact O-N 3.27Å; A227-Y229 VanDerWaalsContact C-N 3.31Å; A227-Y229 PolarHBondContact O-N 2.99Å; A227-H235 PolarHBondContact O-NE2 2.98Å; A227-H235 VanDerWaalsContact O-NE2 3.07Å; A227-Y275 HydrophobicContact CB-CD1 3.66Å; A227-Y275 HydrophobicContact CB-CE1 3.54Å; A227-Y275 HydrophobicContact CB-CG 4.41Å; A227-I278 HydrophobicContact CB-CD1 4.15Å; A227-K282 PolarHBondContact O-NZ 3.08Å
228	R	97.9	Very high	96.4	Very high	83 Å²	83	49.7 Å²	49.7	31%	0.313	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-42.2	177.6	-170.7	-170.6	-59.5	159.2	2.1	111.8	T226 L261 W263 Q264 K282	T226-R228 HydrophobicContact CG2-CB 4.19Å; T226-R228 PolarHBondContact O-N 3.35Å; R228-L261 HydrophobicContact CG-CD1 3.99Å; R228-W263 PolarHBondContact O-NE1 3.02Å; R228-Q264 HydrophobicContact CG-CG 4.07Å; R228-K282 WeakPolarHBondContact O-CE 3.38Å; R228-K282 PolarHBondContact O-NZ 3.4Å
229	Y	98.6	Very high	96.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-10.2	-174.9	-48.7	-67.8	0	0	0	113	I179 K180 P181 T226 A227 S248 Y251 V252 Y255 L261	I179-Y229 VanDerWaalsContact O-CB 3.32Å; I179-Y229 WeakPolarHBondContact O-CB 3.3Å; K180-Y229 HydrophobicContact CB-CD2 3.42Å; K180-Y229 VanDerWaalsContact CB-CD2 3.42Å; K180-Y229 HydrophobicContact CB-CE2 3.57Å; K180-Y229 HydrophobicContact CB-CG 4.4Å; P181-Y229 VanDerWaalsContact CD-CE2 3.49Å; P181-Y229 WeakPolarHBondContact CD-OH 3.26Å; T226-Y229 HydrophobicContact CG2-CD2 3.84Å; T226-Y229 HydrophobicContact CG2-CE2 4.18Å; T226-Y229 PolarHBondContact O-N 2.93Å; A227-Y229 VanDerWaalsContact C-N 3.31Å; A227-Y229 PolarHBondContact O-N 2.99Å; Y229-S248 WeakPolarHBondContact O-CA 3.45Å; Y229-S248 WeakPolarHBondContact O-CB 3.34Å; Y229-S248 PolarHBondContact O-OG 3.42Å; Y229-Y251 WeakPolarHBondContact O-CD2 3.43Å; Y229-V252 HydrophobicContact CD1-CG2 3.71Å; Y229-V252 HydrophobicContact CE1-CG2 4.14Å; Y229-V252 HydrophobicContact CG-CG2 3.96Å; Y229-Y255 HydrophobicContact CE1-CD1 4.29Å; Y229-Y255 HydrophobicContact CE1-CG 4.07Å; Y229-L261 HydrophobicContact CD1-CD1 4.11Å; Y229-L261 HydrophobicContact CE1-CD1 4.08Å
230	A	98.3	Very high	96.6	Very high	7 Å²	7	39.9 Å²	39.9	6%	0.058	21%	0.213	C	C	.	.			trans	-55.9	145.3	178.5	0	0	0	0	0	113.5	L223 T226 A234 K282	L223-A230 HydrophobicContact CD1-CB 3.74Å; T226-A230 PolarHBondContact O-N 2.93Å; A230-A234 HydrophobicContact CB-CB 4.25Å; A230-K282 PolarHBondContact O-NZ 2.78Å
231	S	98.6	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.			trans	-61	161.2	173.7	66.5	0	0	0	0	112.3	N233 A234 H235 D244 E247	S231-N233 VanDerWaalsContact C-N 3.3Å; S231-N233 PolarHBondContact O-N 3.1Å; S231-A234 PolarHBondContact O-N 3Å; S231-A234 WeakPolarHBondContact OG-CB 3.48Å; S231-A234 PolarHBondContact OG-N 3.5Å; S231-A234 VanDerWaalsContact OG-N 3.08Å; S231-H235 PolarHBondContact O-CD2 3.35Å; S231-H235 PolarHBondContact O-N 3.37Å; S231-D244 VanDerWaalsContact CB-OD1 3.26Å; S231-D244 WeakPolarHBondContact CB-OD1 3.37Å; S231-D244 WeakPolarHBondContact OG-CB 3.24Å; S231-D244 PolarHBondContact OG-OD1 3.34Å; S231-E247 WeakPolarHBondContact CA-OE1 3.45Å; S231-E247 WeakPolarHBondContact CB-OE2 3.41Å
232	I	98.1	Very high	97	Very high	25 Å²	25	29.3 Å²	29.3	13%	0.128	16%	0.159	C	C	.	.	H	α-helix	trans	-59.5	-44	172.4	-69.6	174.3	0	0	0	110.3	A234 H235 L236 E247 K282 M283	I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 3.49Å; I232-H235 WeakPolarHBondContact O-CA 3.25Å; I232-H235 WeakPolarHBondContact O-CB 3.39Å; I232-H235 PolarHBondContact O-N 3.13Å; I232-L236 HydrophobicContact CG2-CD1 3.9Å; I232-L236 HydrophobicContact CG2-CG 4.27Å; I232-L236 WeakPolarHBondContact O-CG 3.29Å; I232-L236 PolarHBondContact O-N 3.24Å; I232-E247 PolarHBondContact N-OE1 3.38Å; I232-K282 HydrophobicContact CG1-CB 4.13Å; I232-M283 HydrophobicContact CD1-CG 4.37Å; I232-M283 HydrophobicContact CG2-CG 3.8Å; I232-M283 HydrophobicContact CG2-SD 4.26Å
233	N	98	Very high	97.2	Very high	31 Å²	31	23.7 Å²	23.7	17%	0.166	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-39.8	178.6	-66.2	-42.4	0	0	0	112.4	S231 H235 L236 G237 V238 R243 D244	S231-N233 VanDerWaalsContact C-N 3.3Å; S231-N233 PolarHBondContact O-N 3.1Å; N233-H235 VanDerWaalsContact C-N 3.29Å; N233-H235 PolarHBondContact O-N 3.04Å; N233-L236 CarbonylContact O-C 3.22Å; N233-L236 PolarHBondContact O-N 3.34Å; N233-L236 VanDerWaalsContact O-N 3.14Å; N233-G237 PolarHBondContact O-N 3.09Å; N233-V238 HydrophobicContact CB-CB 4.06Å; N233-V238 HydrophobicContact CB-CG2 4.38Å; N233-V238 WeakPolarHBondContact O-CB 3.35Å; N233-V238 PolarHBondContact O-N 3.05Å; N233-R243 PolarHBondContact ND2-NE 3.31Å; N233-D244 WeakPolarHBondContact CB-OD1 3.5Å
234	A	97.9	Very high	97.5	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-64.8	-32.7	176.6	0	0	0	0	0	112.6	L223 A230 S231 I232 Q240	L223-A234 HydrophobicContact CD1-CB 3.9Å; L223-A234 WeakPolarHBondContact CD1-O 3.18Å; A230-A234 HydrophobicContact CB-CB 4.25Å; S231-A234 PolarHBondContact O-N 3Å; S231-A234 WeakPolarHBondContact OG-CB 3.48Å; S231-A234 PolarHBondContact OG-N 3.5Å; S231-A234 VanDerWaalsContact OG-N 3.08Å; I232-A234 VanDerWaalsContact C-N 3.3Å; I232-A234 PolarHBondContact O-N 3.49Å; A234-Q240 HydrophobicContact CB-CG 3.93Å
235	H	97.1	Very high	97.7	Very high	29 Å²	29	20.1 Å²	20.1	13%	0.134	11%	0.106	C	C	.	.	H	α-helix	trans	-70.8	-35.3	171.9	-83.4	-77	0	0	0	112.5	A227 S231 I232 N233 G237 S279	A227-H235 PolarHBondContact O-NE2 2.98Å; A227-H235 VanDerWaalsContact O-NE2 3.07Å; S231-H235 PolarHBondContact O-CD2 3.35Å; S231-H235 PolarHBondContact O-N 3.37Å; I232-H235 WeakPolarHBondContact O-CA 3.25Å; I232-H235 WeakPolarHBondContact O-CB 3.39Å; I232-H235 PolarHBondContact O-N 3.13Å; N233-H235 VanDerWaalsContact C-N 3.29Å; N233-H235 PolarHBondContact O-N 3.04Å; H235-G237 PolarHBondContact O-N 2.88Å; H235-S279 WeakPolarHBondContact CB-OG 3.48Å
236	L	96.2	Very high	98	Very high	95 Å²	95	19.1 Å²	19.1	50%	0.497	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	1.2	176.8	-64.6	176.2	0	0	0	113.6	I232 N233 V238 M283	I232-L236 HydrophobicContact CG2-CD1 3.9Å; I232-L236 HydrophobicContact CG2-CG 4.27Å; I232-L236 WeakPolarHBondContact O-CG 3.29Å; I232-L236 PolarHBondContact O-N 3.24Å; N233-L236 CarbonylContact O-C 3.22Å; N233-L236 PolarHBondContact O-N 3.34Å; N233-L236 VanDerWaalsContact O-N 3.14Å; L236-V238 VanDerWaalsContact C-N 3.31Å; L236-V238 HydrophobicContact CB-CG2 4.26Å; L236-M283 HydrophobicContact CD2-CE 4.41Å; L236-M283 HydrophobicContact CD2-SD 3.96Å
237	G	96.7	Very high	98.2	Very high	8 Å²	8	17.2 Å²	17.2	8%	0.082	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	18.3	179.3	0	0	0	0	0	114.2	D219 D220 K221 N233 H235	D219-G237 CarbonylContact C-O 3.55Å; D219-G237 VanDerWaalsContact C-O 3.22Å; D219-G237 WeakPolarHBondContact CA-O 3.41Å; D220-G237 PolarHBondContact N-O 3Å; D220-G237 VanDerWaalsContact N-O 3.13Å; K221-G237 VanDerWaalsContact CB-O 3.24Å; K221-G237 WeakPolarHBondContact CB-O 3.15Å; K221-G237 WeakPolarHBondContact CG-O 3.3Å; K221-G237 PolarHBondContact N-O 3Å; K221-G237 WeakPolarHBondContact O-CA 3.41Å; N233-G237 PolarHBondContact O-N 3.09Å; H235-G237 PolarHBondContact O-N 2.88Å
238	V	98	Very high	98.3	Very high	10 Å²	10	17.1 Å²	17.1	6%	0.061	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-77.4	139.8	172.9	-176.1	0	0	0	0	109.3	Y217 N233 L236 Q240	Y217-V238 HydrophobicContact CD2-CG1 4.38Å; Y217-V238 HydrophobicContact CE2-CG1 3.5Å; Y217-V238 VanDerWaalsContact CE2-CG1 3.5Å; Y217-V238 WeakPolarHBondContact OH-CG1 3.41Å; Y217-V238 WeakPolarHBondContact OH-CG2 3.49Å; N233-V238 HydrophobicContact CB-CB 4.06Å; N233-V238 HydrophobicContact CB-CG2 4.38Å; N233-V238 WeakPolarHBondContact O-CB 3.35Å; N233-V238 PolarHBondContact O-N 3.05Å; L236-V238 VanDerWaalsContact C-N 3.31Å; L236-V238 HydrophobicContact CB-CG2 4.26Å; V238-Q240 PolarHBondContact O-N 3.1Å
239	E	98.3	Very high	98.3	Very high	7 Å²	7	13.1 Å²	13.1	3%	0.033	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-56	130.7	171.9	-169.3	73.7	-100.6	0	0	109.7	K204 I215 R218 K221 F310	K204-E239 IonicContact NZ-OE1 2.76Å; K204-E239 PolarHBondContact NZ-OE1 3.17Å; K204-E239 IonicContact NZ-OE2 2.8Å; K204-E239 PolarHBondContact NZ-OE2 3.39Å; I215-E239 HydrophobicContact CD1-CG 3.9Å; R218-E239 HydrophobicContact CB-CB 4.17Å; R218-E239 WeakPolarHBondContact O-CB 3.49Å; R218-E239 PolarHBondContact O-N 3.15Å; K221-E239 VanDerWaalsContact CE-OE2 3.29Å; K221-E239 WeakPolarHBondContact CE-OE2 3.41Å; K221-E239 HydrophobicContact CG-CB 4.1Å; K221-E239 IonicContact NZ-OE2 2.88Å; K221-E239 PolarHBondContact NZ-OE2 3.25Å; E239-F310 HydrophobicContact CB-CE2 4.4Å; E239-F310 HydrophobicContact CB-CZ 4.43Å; E239-F310 WeakPolarHBondContact O-CE2 3.24Å
240	Q	98.7	Very high	98.3	Very high	11 Å²	11	13.1 Å²	13.1	5%	0.051	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-75.6	145.3	-176.9	-67.8	179.3	47	0	0	110.7	I175 R177 T224 A234 V238 D244	I175-Q240 HydrophobicContact CD1-CB 4Å; I175-Q240 WeakPolarHBondContact CD1-O 3.36Å; R177-Q240 HydrophobicContact CG-CB 4.25Å; T224-Q240 PolarHBondContact O-NE2 3.12Å; A234-Q240 HydrophobicContact CB-CG 3.93Å; V238-Q240 PolarHBondContact O-N 3.1Å; Q240-D244 WeakPolarHBondContact CA-OD2 3.46Å; Q240-D244 HydrophobicContact CB-CB 4.13Å; Q240-D244 HydrophobicContact CG-CB 4.15Å
241	S	98.7	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.			trans	-132.2	-167.2	167.9	83.2	0	0	0	0	110.8	R243 D244 F310	S241-R243 PolarHBondContact O-N 3.21Å; S241-D244 PolarHBondContact N-OD2 3.03Å; S241-D244 WeakPolarHBondContact O-CB 3.43Å; S241-D244 PolarHBondContact O-N 3.47Å; S241-D244 VanDerWaalsContact O-N 3.12Å; S241-F310 WeakPolarHBondContact CB-O 3.29Å; S241-F310 PolarHBondContact OG-O 3.38Å
242	R	98.8	Very high	98.3	Very high	17 Å²	17	12.8 Å²	12.8	6%	0.064	7%	0.066	C	C	.	.	H	α-helix	trans	-56.3	-35.6	-177.5	-69.2	171.7	-83.3	-174.3	0.5	113.2	H170 I175 Y206 D244 D245 M246 E311 E312 P314	H170-R242 HydrophobicContact CB-CG 4.14Å; H170-R242 PolarHBondContact CE1-O 2.97Å; I175-R242 HydrophobicContact CG2-CG 4.09Å; Y206-R242 HydrophobicContact CD1-CG 4.37Å; Y206-R242 HydrophobicContact CD2-CG 4.39Å; Y206-R242 HydrophobicContact CE1-CG 3.99Å; Y206-R242 HydrophobicContact CE2-CG 4.04Å; Y206-R242 VanDerWaalsContact CE2-CZ 3.47Å; Y206-R242 VanDerWaalsContact CZ-CD 3.43Å; Y206-R242 VanDerWaalsContact OH-CD 3.24Å; Y206-R242 WeakPolarHBondContact OH-CD 2.84Å; Y206-R242 PolarHBondContact OH-NE 2.87Å; Y206-R242 PolarHBondContact OH-NH1 3.27Å; R242-D244 PolarHBondContact O-N 2.96Å; R242-D245 PolarHBondContact O-N 3.26Å; R242-M246 WeakPolarHBondContact O-CG 3.34Å; R242-M246 PolarHBondContact O-N 3.37Å; R242-E311 PolarHBondContact NH2-O 3.07Å; R242-E312 PolarHBondContact NH2-O 3.25Å; R242-P314 HydrophobicContact CB-CG 4Å
243	R	98.8	Very high	98.4	Very high	25 Å²	25	11.7 Å²	11.7	9%	0.094	6%	0.06	C	C	.	.	H	α-helix	trans	-60.7	-32.1	-179.2	68.1	-173.9	178.3	168.7	2.6	112.1	N233 S241 M246 E247 L308	N233-R243 PolarHBondContact ND2-NE 3.31Å; S241-R243 PolarHBondContact O-N 3.21Å; R243-M246 PolarHBondContact O-N 3.42Å; R243-E247 WeakPolarHBondContact O-CB 3.15Å; R243-E247 PolarHBondContact O-N 3.37Å; R243-L308 HydrophobicContact CB-CB 3.73Å; R243-L308 HydrophobicContact CB-CD1 3.88Å; R243-L308 HydrophobicContact CB-CG 4.49Å; R243-L308 WeakPolarHBondContact CD-O 3.43Å; R243-L308 PolarHBondContact NH1-O 3.38Å
244	D	98.9	Very high	98.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-74.5	-38	-176.1	-58.5	-73.6	0	0	0	112.1	S231 N233 Q240 S241 R242 M246 S248	S231-D244 VanDerWaalsContact CB-OD1 3.26Å; S231-D244 WeakPolarHBondContact CB-OD1 3.37Å; S231-D244 WeakPolarHBondContact OG-CB 3.24Å; S231-D244 PolarHBondContact OG-OD1 3.34Å; N233-D244 WeakPolarHBondContact CB-OD1 3.5Å; Q240-D244 WeakPolarHBondContact CA-OD2 3.46Å; Q240-D244 HydrophobicContact CB-CB 4.13Å; Q240-D244 HydrophobicContact CG-CB 4.15Å; S241-D244 PolarHBondContact N-OD2 3.03Å; S241-D244 WeakPolarHBondContact O-CB 3.43Å; S241-D244 PolarHBondContact O-N 3.47Å; S241-D244 VanDerWaalsContact O-N 3.12Å; R242-D244 PolarHBondContact O-N 2.96Å; D244-M246 VanDerWaalsContact C-N 3.32Å; D244-S248 VanDerWaalsContact O-CB 3.26Å; D244-S248 WeakPolarHBondContact O-CB 3.44Å; D244-S248 PolarHBondContact O-N 3.19Å; D244-S248 PolarHBondContact O-OG 2.86Å
245	D	98.9	Very high	98.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.1	-41	170.9	-79.4	-19.3	0	0	0	110.8	I166 H170 I175 H176 R177 I179 R242 S248 M249	I166-D245 HydrophobicContact CG2-CB 4.04Å; H170-D245 IonicContact CD2-OD2 3.18Å; H170-D245 IonicContact NE2-OD2 3.65Å; H170-D245 PolarHBondContact NE2-OD2 2.84Å; H170-D245 VanDerWaalsContact NE2-OD2 3.08Å; I175-D245 WeakPolarHBondContact CA-OD2 3.39Å; I175-D245 WeakPolarHBondContact CB-OD2 3.36Å; H176-D245 PolarHBondContact N-OD2 2.98Å; R177-D245 PolarHBondContact N-OD1 3.34Å; I179-D245 HydrophobicContact CG1-CB 4.02Å; R242-D245 PolarHBondContact O-N 3.26Å; D245-S248 PolarHBondContact O-N 3.1Å; D245-M249 PolarHBondContact O-N 2.85Å
246	M	98.9	Very high	98.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.8	-43	178.7	-59.6	-44.8	-67.5	0	0	112.4	I163 I166 R242 R243 D244 S248 M249 G250 Y301 P314 Y316 M319	I163-M246 HydrophobicContact CG1-CE 4.2Å; I163-M246 HydrophobicContact CG2-CE 4.23Å; I166-M246 HydrophobicContact CB-SD 4.22Å; I166-M246 HydrophobicContact CD1-SD 4.49Å; I166-M246 HydrophobicContact CG2-SD 3.5Å; I166-M246 VanDerWaalsContact CG2-SD 3.5Å; R242-M246 WeakPolarHBondContact O-CG 3.34Å; R242-M246 PolarHBondContact O-N 3.37Å; R243-M246 PolarHBondContact O-N 3.42Å; D244-M246 VanDerWaalsContact C-N 3.32Å; M246-S248 VanDerWaalsContact C-N 3.32Å; M246-S248 PolarHBondContact O-N 3.34Å; M246-M249 WeakPolarHBondContact O-CB 3.26Å; M246-M249 PolarHBondContact O-N 2.99Å; M246-G250 PolarHBondContact O-N 3.15Å; M246-G250 VanDerWaalsContact O-N 3.08Å; M246-Y301 HydrophobicContact CE-CE2 4.45Å; M246-Y301 WeakPolarHBondContact CE-OH 3.46Å; M246-Y301 VanDerWaalsContact O-CE1 3.28Å; M246-Y301 WeakPolarHBondContact O-CE1 3.31Å; M246-Y301 PolarHBondContact O-OH 3.23Å; M246-P314 HydrophobicContact CG-CB 4.14Å; M246-P314 HydrophobicContact CG-CG 3.87Å; M246-Y316 HydrophobicContact CE-CD1 4.17Å; M246-Y316 HydrophobicContact CE-CE1 4.41Å; M246-Y316 HydrophobicContact SD-CD1 4.31Å; M246-Y316 HydrophobicContact SD-CE1 3.94Å; M246-M319 HydrophobicContact CB-CE 4.05Å; M246-M319 HydrophobicContact CE-CE 4.18Å; M246-M319 HydrophobicContact CE-SD 3.33Å; M246-M319 WeakPolarHBondContact CE-SD 3.14Å; M246-M319 HydrophobicContact CG-CE 4.15Å; M246-M319 HydrophobicContact CG-SD 4.43Å
247	E	98.9	Very high	98.7	Very high	3 Å²	3	5.1 Å²	5.1	1%	0.014	3%	0.026	C	C	.	.	H	α-helix	trans	-61.8	-43.1	174	-171.6	-174.9	142.3	0	0	110.7	S231 I232 R243 M249 G250 Y251 L302 C305 R306	S231-E247 WeakPolarHBondContact CA-OE1 3.45Å; S231-E247 WeakPolarHBondContact CB-OE2 3.41Å; I232-E247 PolarHBondContact N-OE1 3.38Å; R243-E247 WeakPolarHBondContact O-CB 3.15Å; R243-E247 PolarHBondContact O-N 3.37Å; E247-M249 VanDerWaalsContact C-N 3.31Å; E247-M249 PolarHBondContact O-N 3.25Å; E247-G250 WeakPolarHBondContact O-CA 3.28Å; E247-G250 PolarHBondContact O-N 2.63Å; E247-Y251 HydrophobicContact CG-CD2 4.49Å; E247-Y251 HydrophobicContact CG-CE2 3.74Å; E247-Y251 PolarHBondContact O-N 3.36Å; E247-Y251 VanDerWaalsContact O-N 3.13Å; E247-Y251 VanDerWaalsContact OE1-CE2 3.31Å; E247-Y251 WeakPolarHBondContact OE1-CE2 3.15Å; E247-Y251 VanDerWaalsContact OE1-CZ 3.29Å; E247-Y251 PolarHBondContact OE1-OH 3.48Å; E247-L302 HydrophobicContact CG-CD2 4.49Å; E247-C305 HydrophobicContact CB-CB 4.06Å; E247-R306 HydrophobicContact CG-CG 4.42Å
248	S	98.9	Very high	98.7	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.028	4%	0.037	C	C	.	.	H	α-helix	trans	-60.7	-41.5	177.7	-58.7	0	0	0	0	111.9	Y229 D244 D245 M246 G250 Y251 V252	Y229-S248 WeakPolarHBondContact O-CA 3.45Å; Y229-S248 WeakPolarHBondContact O-CB 3.34Å; Y229-S248 PolarHBondContact O-OG 3.42Å; D244-S248 VanDerWaalsContact O-CB 3.26Å; D244-S248 WeakPolarHBondContact O-CB 3.44Å; D244-S248 PolarHBondContact O-N 3.19Å; D244-S248 PolarHBondContact O-OG 2.86Å; D245-S248 PolarHBondContact O-N 3.1Å; M246-S248 VanDerWaalsContact C-N 3.32Å; M246-S248 PolarHBondContact O-N 3.34Å; S248-G250 VanDerWaalsContact C-N 3.3Å; S248-G250 PolarHBondContact O-N 3.5Å; S248-Y251 PolarHBondContact O-N 2.8Å; S248-V252 WeakPolarHBondContact O-CG2 3.34Å; S248-V252 PolarHBondContact O-N 2.79Å; S248-V252 VanDerWaalsContact O-N 3.08Å
249	M	98.8	Very high	98.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.6	-40.5	172.1	173.6	177.5	165	0	0	111.8	A159 M162 I163 I166 I179 D245 M246 E247 Y251 V252 L253	A159-M249 HydrophobicContact CB-CE 4.11Å; A159-M249 WeakPolarHBondContact O-CE 3.46Å; M162-M249 HydrophobicContact CB-CE 3.58Å; M162-M249 HydrophobicContact CB-SD 3.73Å; M162-M249 HydrophobicContact CE-CG 4.03Å; M162-M249 HydrophobicContact SD-CE 4.42Å; I163-M249 HydrophobicContact CD1-CE 4.2Å; I163-M249 HydrophobicContact CG1-CE 3.52Å; I163-M249 HydrophobicContact CG1-SD 3.74Å; I166-M249 HydrophobicContact CD1-CB 3.86Å; I166-M249 HydrophobicContact CD1-CG 4.26Å; I166-M249 HydrophobicContact CD1-SD 3.76Å; I179-M249 HydrophobicContact CG2-CB 4.03Å; D245-M249 PolarHBondContact O-N 2.85Å; M246-M249 WeakPolarHBondContact O-CB 3.26Å; M246-M249 PolarHBondContact O-N 2.99Å; E247-M249 VanDerWaalsContact C-N 3.31Å; E247-M249 PolarHBondContact O-N 3.25Å; M249-Y251 VanDerWaalsContact C-N 3.3Å; M249-Y251 PolarHBondContact O-N 3.41Å; M249-V252 WeakPolarHBondContact O-CA 3.3Å; M249-V252 WeakPolarHBondContact O-CB 3.44Å; M249-V252 PolarHBondContact O-N 2.91Å; M249-L253 HydrophobicContact CE-CD1 3.76Å; M249-L253 HydrophobicContact CE-CD2 4.21Å; M249-L253 HydrophobicContact CE-CG 4.14Å; M249-L253 HydrophobicContact CG-CG 4.44Å; M249-L253 WeakPolarHBondContact O-CG 3.47Å; M249-L253 PolarHBondContact O-N 3.42Å
250	G	98.9	Very high	98.7	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-58.6	-41.4	176.2	0	0	0	0	0	112.5	M246 E247 S248 V252 L253 M254 Y301	M246-G250 PolarHBondContact O-N 3.15Å; M246-G250 VanDerWaalsContact O-N 3.08Å; E247-G250 WeakPolarHBondContact O-CA 3.28Å; E247-G250 PolarHBondContact O-N 2.63Å; S248-G250 VanDerWaalsContact C-N 3.3Å; S248-G250 PolarHBondContact O-N 3.5Å; G250-V252 VanDerWaalsContact C-N 3.34Å; G250-V252 PolarHBondContact O-N 2.98Å; G250-L253 PolarHBondContact O-N 2.94Å; G250-M254 WeakPolarHBondContact O-CG 3.33Å; G250-M254 PolarHBondContact O-N 3.42Å; G250-Y301 VanDerWaalsContact CA-CE1 3.47Å
251	Y	98.8	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.6	-33.7	173.2	-61.2	-43.3	0	0	0	113.1	Y229 E247 S248 M249 Y255 W263 L290 L302 R306	Y229-Y251 WeakPolarHBondContact O-CD2 3.43Å; E247-Y251 HydrophobicContact CG-CD2 4.49Å; E247-Y251 HydrophobicContact CG-CE2 3.74Å; E247-Y251 PolarHBondContact O-N 3.36Å; E247-Y251 VanDerWaalsContact O-N 3.13Å; E247-Y251 VanDerWaalsContact OE1-CE2 3.31Å; E247-Y251 WeakPolarHBondContact OE1-CE2 3.15Å; E247-Y251 VanDerWaalsContact OE1-CZ 3.29Å; E247-Y251 PolarHBondContact OE1-OH 3.48Å; S248-Y251 PolarHBondContact O-N 2.8Å; M249-Y251 VanDerWaalsContact C-N 3.3Å; M249-Y251 PolarHBondContact O-N 3.41Å; Y251-Y255 VanDerWaalsContact O-CB 3.25Å; Y251-Y255 WeakPolarHBondContact O-CB 3.42Å; Y251-Y255 PolarHBondContact O-N 3Å; Y251-W263 AromaticContact CD1-CH2 3.55Å; Y251-W263 HydrophobicContact CD1-CH2 3.55Å; Y251-W263 AromaticContact CD1-CZ2 3.69Å; Y251-W263 HydrophobicContact CD1-CZ2 3.69Å; Y251-W263 AromaticContact CE1-CH2 3.65Å; Y251-W263 HydrophobicContact CE1-CH2 3.65Å; Y251-W263 HydrophobicContact CE1-CZ2 4.1Å; Y251-W263 HydrophobicContact CG-CH2 4.28Å; Y251-W263 AromaticContact CG-CZ2 3.95Å; Y251-W263 HydrophobicContact CG-CZ2 3.95Å; Y251-L290 HydrophobicContact CD1-CD2 4.1Å; Y251-L290 HydrophobicContact CE1-CD2 4.13Å; Y251-L302 HydrophobicContact CD1-CD2 4.13Å; Y251-L302 HydrophobicContact CE1-CD2 3.99Å; Y251-R306 PolarHBondContact OH-NH2 3.13Å
252	V	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-44.6	173.3	171.4	0	0	0	0	111.3	M162 I179 P181 Y229 S248 M249 G250 Y255 F256	M162-V252 HydrophobicContact CE-CB 4.29Å; M162-V252 HydrophobicContact CE-CG1 3.7Å; I179-V252 HydrophobicContact CG2-CG2 4.32Å; P181-V252 HydrophobicContact CG-CG1 3.95Å; Y229-V252 HydrophobicContact CD1-CG2 3.71Å; Y229-V252 HydrophobicContact CE1-CG2 4.14Å; Y229-V252 HydrophobicContact CG-CG2 3.96Å; S248-V252 WeakPolarHBondContact O-CG2 3.34Å; S248-V252 PolarHBondContact O-N 2.79Å; S248-V252 VanDerWaalsContact O-N 3.08Å; M249-V252 WeakPolarHBondContact O-CA 3.3Å; M249-V252 WeakPolarHBondContact O-CB 3.44Å; M249-V252 PolarHBondContact O-N 2.91Å; G250-V252 VanDerWaalsContact C-N 3.34Å; G250-V252 PolarHBondContact O-N 2.98Å; V252-Y255 WeakPolarHBondContact O-CB 3.32Å; V252-Y255 PolarHBondContact O-N 2.65Å; V252-F256 HydrophobicContact CG1-CD2 4.08Å; V252-F256 HydrophobicContact CG1-CE2 3.42Å; V252-F256 VanDerWaalsContact CG1-CE2 3.42Å; V252-F256 HydrophobicContact CG1-CZ 3.76Å; V252-F256 WeakPolarHBondContact O-CD2 3.49Å; V252-F256 PolarHBondContact O-N 3.1Å
253	L	98.9	Very high	98.6	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-45.6	176.2	-64	-178.1	0	0	0	111.5	V155 A159 M162 M249 G250 Y255 F256 N257 F298 F323	V155-L253 HydrophobicContact CG1-CD2 4.14Å; A159-L253 HydrophobicContact CB-CD1 3.88Å; A159-L253 HydrophobicContact CB-CD2 3.83Å; M162-L253 HydrophobicContact SD-CD2 4.14Å; M249-L253 HydrophobicContact CE-CD1 3.76Å; M249-L253 HydrophobicContact CE-CD2 4.21Å; M249-L253 HydrophobicContact CE-CG 4.14Å; M249-L253 HydrophobicContact CG-CG 4.44Å; M249-L253 WeakPolarHBondContact O-CG 3.47Å; M249-L253 PolarHBondContact O-N 3.42Å; G250-L253 PolarHBondContact O-N 2.94Å; L253-Y255 VanDerWaalsContact C-N 3.28Å; L253-Y255 PolarHBondContact O-N 2.96Å; L253-F256 PolarHBondContact O-N 3.07Å; L253-N257 PolarHBondContact O-N 2.86Å; L253-F298 HydrophobicContact CB-CD1 4.36Å; L253-F298 HydrophobicContact CB-CE1 4.15Å; L253-F323 HydrophobicContact CD1-CE2 3.82Å; L253-F323 HydrophobicContact CD1-CZ 3.73Å
254	M	98.8	Very high	98.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-31.7	176.3	-72.1	-50.3	-56.4	0	0	112.9	G250 N257 L258 L261 L290 C291 Y294 F298 L302	G250-M254 WeakPolarHBondContact O-CG 3.33Å; G250-M254 PolarHBondContact O-N 3.42Å; M254-N257 HydrophobicContact CE-CB 4.47Å; M254-N257 PolarHBondContact O-N 3.19Å; M254-L258 HydrophobicContact CB-CD1 4.4Å; M254-L258 HydrophobicContact CE-CD1 3.88Å; M254-L258 HydrophobicContact CE-CG 4.06Å; M254-L258 VanDerWaalsContact O-CB 3.27Å; M254-L258 WeakPolarHBondContact O-CB 3.45Å; M254-L258 WeakPolarHBondContact O-CD1 3.32Å; M254-L258 VanDerWaalsContact O-CG 3.27Å; M254-L258 WeakPolarHBondContact O-CG 3.31Å; M254-L258 PolarHBondContact O-N 3Å; M254-L261 HydrophobicContact CB-CD2 4.16Å; M254-L290 HydrophobicContact CB-CD2 4.49Å; M254-L290 HydrophobicContact CB-CG 4.5Å; M254-L290 HydrophobicContact CE-CG 4.49Å; M254-L290 VanDerWaalsContact CE-O 3.3Å; M254-L290 WeakPolarHBondContact CE-O 3.42Å; M254-L290 HydrophobicContact CG-CD2 4.33Å; M254-L290 HydrophobicContact CG-CG 4.37Å; M254-C291 HydrophobicContact CE-CB 4.31Å; M254-C291 VanDerWaalsContact SD-SG 3.68Å; M254-Y294 HydrophobicContact CE-CD2 4.03Å; M254-Y294 HydrophobicContact CE-CG 4.47Å; M254-F298 HydrophobicContact SD-CB 3.73Å; M254-F298 HydrophobicContact SD-CD1 3.9Å; M254-F298 HydrophobicContact SD-CG 3.94Å; M254-L302 HydrophobicContact CG-CD1 4.01Å
255	Y	98.8	Very high	98.2	Very high	1 Å²	1	21 Å²	21	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-43.3	172.5	167.8	-104.2	0	0	0	112.2	E140 F143 R148 P181 Y229 Y251 V252 L253 L258 G259 L261	E140-Y255 VanDerWaalsContact CD-OH 3.31Å; E140-Y255 PolarHBondContact OE1-OH 2.73Å; E140-Y255 VanDerWaalsContact OE2-CE1 3.29Å; E140-Y255 WeakPolarHBondContact OE2-CE1 3.33Å; E140-Y255 PolarHBondContact OE2-OH 2.84Å; F143-Y255 AromaticContact CD1-CE1 3.88Å; F143-Y255 HydrophobicContact CD1-CE1 3.88Å; F143-Y255 HydrophobicContact CE1-CD1 4.44Å; F143-Y255 AromaticContact CE1-CE1 3.86Å; F143-Y255 HydrophobicContact CE1-CE1 3.86Å; F143-Y255 AromaticContact CE1-CZ 3.93Å; R148-Y255 PolarHBondContact NH1-OH 3.3Å; R148-Y255 VanDerWaalsContact NH2-CZ 3.32Å; R148-Y255 PolarHBondContact NH2-OH 3.08Å; P181-Y255 HydrophobicContact CG-CD1 4Å; P181-Y255 HydrophobicContact CG-CE1 3.94Å; Y229-Y255 HydrophobicContact CE1-CD1 4.29Å; Y229-Y255 HydrophobicContact CE1-CG 4.07Å; Y251-Y255 VanDerWaalsContact O-CB 3.25Å; Y251-Y255 WeakPolarHBondContact O-CB 3.42Å; Y251-Y255 PolarHBondContact O-N 3Å; V252-Y255 WeakPolarHBondContact O-CB 3.32Å; V252-Y255 PolarHBondContact O-N 2.65Å; L253-Y255 VanDerWaalsContact C-N 3.28Å; L253-Y255 PolarHBondContact O-N 2.96Å; Y255-L258 PolarHBondContact O-N 3.36Å; Y255-G259 WeakPolarHBondContact O-CA 3.27Å; Y255-G259 PolarHBondContact O-N 3.4Å; Y255-L261 HydrophobicContact CD2-CG 4.34Å
256	F	98.8	Very high	98	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-40.1	175.8	-65.3	-41.1	0	0	0	112.6	L139 F143 F150 V155 P181 V252 L253	L139-F256 HydrophobicContact CB-CE1 4.38Å; L139-F256 HydrophobicContact CB-CZ 3.77Å; L139-F256 HydrophobicContact CD1-CE2 4.06Å; L139-F256 HydrophobicContact CD1-CZ 3.95Å; F143-F256 HydrophobicContact CB-CD1 4.48Å; F143-F256 HydrophobicContact CB-CE1 4.33Å; F143-F256 HydrophobicContact CD1-CD1 4.32Å; F143-F256 AromaticContact CD2-CD1 3.94Å; F143-F256 HydrophobicContact CD2-CD1 3.94Å; F143-F256 HydrophobicContact CE1-CD1 4.49Å; F143-F256 HydrophobicContact CE2-CB 4.44Å; F143-F256 HydrophobicContact CE2-CD1 4.11Å; F143-F256 HydrophobicContact CG-CD1 4.03Å; F143-F256 HydrophobicContact CG-CE1 4.32Å; F143-F256 HydrophobicContact CZ-CD1 4.37Å; F150-F256 HydrophobicContact CD2-CB 3.96Å; F150-F256 AromaticContact CD2-CD1 3.79Å; F150-F256 HydrophobicContact CD2-CD1 3.79Å; F150-F256 HydrophobicContact CD2-CD2 4.36Å; F150-F256 HydrophobicContact CD2-CE1 4.37Å; F150-F256 AromaticContact CD2-CG 3.8Å; F150-F256 HydrophobicContact CD2-CG 3.8Å; F150-F256 AromaticContact CE2-CD1 3.76Å; F150-F256 HydrophobicContact CE2-CD1 3.76Å; F150-F256 AromaticContact CE2-CE1 3.89Å; F150-F256 HydrophobicContact CE2-CE1 3.89Å; F150-F256 HydrophobicContact CE2-CG 4.13Å; F150-F256 HydrophobicContact CE2-CZ 4.34Å; V155-F256 HydrophobicContact CG2-CB 3.93Å; P181-F256 HydrophobicContact CB-CE1 3.95Å; P181-F256 HydrophobicContact CB-CZ 3.79Å; P181-F256 HydrophobicContact CG-CE1 3.87Å; P181-F256 HydrophobicContact CG-CZ 3.79Å; V252-F256 HydrophobicContact CG1-CD2 4.08Å; V252-F256 HydrophobicContact CG1-CE2 3.42Å; V252-F256 VanDerWaalsContact CG1-CE2 3.42Å; V252-F256 HydrophobicContact CG1-CZ 3.76Å; V252-F256 WeakPolarHBondContact O-CD2 3.49Å; V252-F256 PolarHBondContact O-N 3.1Å; L253-F256 PolarHBondContact O-N 3.07Å
257	N	98.6	Very high	97.8	Very high	16 Å²	16	32.5 Å²	32.5	9%	0.086	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-52.7	174.7	-80.1	-17.4	0	0	0	111.4	L253 M254 Y294 F298	L253-N257 PolarHBondContact O-N 2.86Å; M254-N257 HydrophobicContact CE-CB 4.47Å; M254-N257 PolarHBondContact O-N 3.19Å; N257-Y294 HydrophobicContact CB-CD1 3.77Å; N257-Y294 HydrophobicContact CB-CE1 3.47Å; N257-Y294 VanDerWaalsContact CB-CE1 3.47Å; N257-Y294 HydrophobicContact CB-CE2 4.34Å; N257-Y294 HydrophobicContact CB-CG 4.32Å; N257-Y294 PolarHBondContact O-OH 3.33Å; N257-F298 WeakPolarHBondContact ND2-CD1 3.36Å; N257-F298 WeakPolarHBondContact ND2-CE1 3.34Å; N257-F298 WeakPolarHBondContact ND2-CZ 3.49Å
258	L	98.1	Very high	97.6	Very high	60 Å²	60	34.2 Å²	34.2	31%	0.314	20%	0.195	S	C	.	.	H	α-helix	trans	-84	-18	-170.5	-66.8	165.2	0	0	0	114.7	M254 Y255 K260 L261 L290 Y294	M254-L258 HydrophobicContact CB-CD1 4.4Å; M254-L258 HydrophobicContact CE-CD1 3.88Å; M254-L258 HydrophobicContact CE-CG 4.06Å; M254-L258 VanDerWaalsContact O-CB 3.27Å; M254-L258 WeakPolarHBondContact O-CB 3.45Å; M254-L258 WeakPolarHBondContact O-CD1 3.32Å; M254-L258 VanDerWaalsContact O-CG 3.27Å; M254-L258 WeakPolarHBondContact O-CG 3.31Å; M254-L258 PolarHBondContact O-N 3Å; Y255-L258 PolarHBondContact O-N 3.36Å; L258-K260 WeakPolarHBondContact CB-O 3.41Å; L258-K260 PolarHBondContact O-N 3.38Å; L258-L261 HydrophobicContact CD1-CD2 4.46Å; L258-L290 HydrophobicContact CD1-CD1 3.79Å; L258-Y294 HydrophobicContact CD2-CD2 4.36Å; L258-Y294 HydrophobicContact CD2-CE2 3.48Å; L258-Y294 VanDerWaalsContact CD2-CE2 3.48Å; L258-Y294 HydrophobicContact CG-CE2 4.13Å
259	G	97.9	Very high	97.4	Very high	16 Å²	16	38.5 Å²	38.5	17%	0.165	23%	0.23	C	C	.	.	S	Bend	trans	76.8	-26.2	-169	0	0	0	0	0	114.4	R148 Y255	R148-G259 PolarHBondContact NH2-O 3.13Å; Y255-G259 WeakPolarHBondContact O-CA 3.27Å; Y255-G259 PolarHBondContact O-N 3.4Å
260	K	97.4	Very high	97.2	Very high	149 Å²	149	42.3 Å²	42.3	65%	0.648	25%	0.251	S	S	*	.	S	Bend	trans	-153.8	148.9	174	65.2	-178.6	-178.6	-179.3	0	110.8	L258 Q264	L258-K260 WeakPolarHBondContact CB-O 3.41Å; L258-K260 PolarHBondContact O-N 3.38Å; K260-Q264 VanDerWaalsContact CA-OE1 3.29Å
261	L	98.4	Very high	96.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	28%	0.28	C	S	.	.			trans	-89.3	150.3	171.4	-67.6	164.3	0	0	0	111.3	R228 Y229 M254 Y255 L258 W263 Q264 L290	R228-L261 HydrophobicContact CG-CD1 3.99Å; Y229-L261 HydrophobicContact CD1-CD1 4.11Å; Y229-L261 HydrophobicContact CE1-CD1 4.08Å; M254-L261 HydrophobicContact CB-CD2 4.16Å; Y255-L261 HydrophobicContact CD2-CG 4.34Å; L258-L261 HydrophobicContact CD1-CD2 4.46Å; L261-W263 HydrophobicContact CB-CD2 4.16Å; L261-W263 HydrophobicContact CB-CZ2 3.98Å; L261-W263 HydrophobicContact CD1-CZ2 3.7Å; L261-W263 HydrophobicContact CD2-CH2 4.11Å; L261-W263 HydrophobicContact CD2-CZ2 3.84Å; L261-W263 HydrophobicContact CG-CZ2 4.05Å; L261-W263 PolarHBondContact O-N 3.23Å; L261-Q264 HydrophobicContact CB-CG 4.24Å; L261-Q264 WeakPolarHBondContact O-CB 3.5Å; L261-Q264 PolarHBondContact O-N 2.67Å; L261-L290 HydrophobicContact CD2-CD1 4.15Å
262	P	98	Very high	96.4	Very high	54 Å²	54	58.3 Å²	58.3	35%	0.351	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.5	-176.8	-26.1	35.1	0	0	0	115.6	L290	P262-L290 HydrophobicContact CG-CD1 3.8Å
263	W	98.1	Very high	96.2	Very high	3 Å²	3	62.3 Å²	62.3	1%	0.011	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	12.3	178.7	52	81.9	0	0	0	113.5	R228 Y251 L261 L266 I278 K281 K282 L290	R228-W263 PolarHBondContact O-NE1 3.02Å; Y251-W263 AromaticContact CD1-CH2 3.55Å; Y251-W263 HydrophobicContact CD1-CH2 3.55Å; Y251-W263 AromaticContact CD1-CZ2 3.69Å; Y251-W263 HydrophobicContact CD1-CZ2 3.69Å; Y251-W263 AromaticContact CE1-CH2 3.65Å; Y251-W263 HydrophobicContact CE1-CH2 3.65Å; Y251-W263 HydrophobicContact CE1-CZ2 4.1Å; Y251-W263 HydrophobicContact CG-CH2 4.28Å; Y251-W263 AromaticContact CG-CZ2 3.95Å; Y251-W263 HydrophobicContact CG-CZ2 3.95Å; L261-W263 HydrophobicContact CB-CD2 4.16Å; L261-W263 HydrophobicContact CB-CZ2 3.98Å; L261-W263 HydrophobicContact CD1-CZ2 3.7Å; L261-W263 HydrophobicContact CD2-CH2 4.11Å; L261-W263 HydrophobicContact CD2-CZ2 3.84Å; L261-W263 HydrophobicContact CG-CZ2 4.05Å; L261-W263 PolarHBondContact O-N 3.23Å; W263-L266 HydrophobicContact CB-CD1 4.18Å; W263-I278 HydrophobicContact CB-CG2 4.21Å; W263-I278 HydrophobicContact CG-CG2 4.11Å; W263-K281 HydrophobicContact CB-CB 3.94Å; W263-K281 HydrophobicContact CB-CG 3.82Å; W263-K282 HydrophobicContact CD2-CD 4.39Å; W263-K282 HydrophobicContact CD2-CG 3.62Å; W263-K282 HydrophobicContact CE3-CG 3.62Å; W263-K282 HydrophobicContact CG-CG 4.16Å; W263-K282 HydrophobicContact CH2-CG 4.13Å; W263-K282 HydrophobicContact CZ2-CD 4.41Å; W263-K282 VanDerWaalsContact CZ2-CE 3.44Å; W263-K282 HydrophobicContact CZ2-CG 4.13Å; W263-K282 HydrophobicContact CZ3-CG 3.88Å; W263-L290 HydrophobicContact CH2-CD1 4.19Å; W263-L290 HydrophobicContact CH2-CD2 3.9Å; W263-L290 HydrophobicContact CZ3-CD1 4.19Å; W263-L290 HydrophobicContact CZ3-CD2 4.31Å
264	Q	96.7	Very high	96	Very high	52 Å²	52	67 Å²	67	24%	0.243	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	149.9	170.6	-72.8	-175.3	-108.1	0	0	111.9	R228 K260 L261 L266	R228-Q264 HydrophobicContact CG-CG 4.07Å; K260-Q264 VanDerWaalsContact CA-OE1 3.29Å; L261-Q264 HydrophobicContact CB-CG 4.24Å; L261-Q264 WeakPolarHBondContact O-CB 3.5Å; L261-Q264 PolarHBondContact O-N 2.67Å; Q264-L266 VanDerWaalsContact C-N 3.27Å; Q264-L266 PolarHBondContact O-N 3.43Å
265	G	93.7	Very high	95.7	Very high	76 Å²	76	69.9 Å²	69.9	78%	0.784	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	6.6	173.7	0	0	0	0	0	115.6	K267	G265-K267 PolarHBondContact O-N 3.18Å
266	L	94.4	Very high	95.5	Very high	51 Å²	51	73.4 Å²	73.4	27%	0.267	38%	0.384	S	S	.	.			trans	-62.7	127	177.2	-56.8	179.2	0	0	0	110.9	W263 Q264 K277 I278 K281	W263-L266 HydrophobicContact CB-CD1 4.18Å; Q264-L266 VanDerWaalsContact C-N 3.27Å; Q264-L266 PolarHBondContact O-N 3.43Å; L266-K277 HydrophobicContact CD1-CB 4.09Å; L266-I278 HydrophobicContact CD1-CG1 4.17Å; L266-K281 HydrophobicContact CD1-CB 4.13Å
267	K	94	Very high	95.5	Very high	190 Å²	190	77.7 Å²	77.7	83%	0.826	40%	0.402	S	S	*	.			trans	-81.7	136.4	176.7	-63.5	-174.9	179.7	-178.5	0	110.6	G265 K277	G265-K267 PolarHBondContact O-N 3.18Å; K267-K277 WeakPolarHBondContact O-CD 3.39Å; K267-K277 PolarHBondContact O-NZ 3.23Å
268	A	94	Very high	95.4	Very high	39 Å²	39	77.5 Å²	77.5	32%	0.322	40%	0.401	S	S	.	.			trans	-152.3	155.6	176.1	0	0	0	0	0	109.8	Q273 K274 K277	A268-Q273 HydrophobicContact CB-CB 3.91Å; A268-K274 HydrophobicContact CB-CB 3.79Å; A268-K274 HydrophobicContact CB-CG 4.42Å; A268-K277 HydrophobicContact CB-CD 4.37Å
269	A	94.9	Very high	95.4	Very high	93 Å²	93	75.1 Å²	75.1	77%	0.769	39%	0.39	S	S	*	.	S	Bend	trans	-74.1	-29.7	-176.9	0	0	0	0	0	112.5	Q273	A269-Q273 VanDerWaalsContact CB-OE1 3.27Å
270	N	94.2	Very high	95.3	Very high	81 Å²	81	80.1 Å²	80.1	43%	0.433	41%	0.409	S	S	.	.	S	Bend	trans	-144.7	172.7	179.1	63	55.8	0	0	0	111.6	R272 Q273 K274	N270-R272 VanDerWaalsContact C-N 3.35Å; N270-R272 PolarHBondContact O-N 3Å; N270-R272 WeakPolarHBondContact OD1-CB 3.2Å; N270-R272 PolarHBondContact OD1-N 3.35Å; N270-R272 VanDerWaalsContact OD1-N 3.15Å; N270-Q273 PolarHBondContact OD1-N 3.23Å; N270-K274 WeakPolarHBondContact O-CB 3.23Å; N270-K274 PolarHBondContact O-N 3.01Å
271	K	90.2	Very high	95.4	Very high	146 Å²	146	77.1 Å²	77.1	64%	0.635	40%	0.396	S	S	*	.	H	α-helix	trans	-62	-38.5	-176.7	-172.2	175.5	178.4	179.3	0	113	K274 Y275	K271-K274 WeakPolarHBondContact O-CB 3.5Å; K271-K274 PolarHBondContact O-N 3.08Å; K271-Y275 HydrophobicContact CD-CE2 4.45Å; K271-Y275 WeakPolarHBondContact CE-OH 3.47Å; K271-Y275 HydrophobicContact CG-CD1 4.5Å; K271-Y275 HydrophobicContact CG-CE1 3.95Å; K271-Y275 HydrophobicContact CG-CE2 4.02Å; K271-Y275 WeakPolarHBondContact O-CD1 3.32Å; K271-Y275 VanDerWaalsContact O-CG 3.3Å; K271-Y275 PolarHBondContact O-N 2.96Å
272	R	91.4	Very high	95.4	Very high	192 Å²	192	77 Å²	77	73%	0.725	40%	0.395	S	S	*	.	H	α-helix	trans	-63.6	-54.4	179.1	-177.5	178.4	178.9	175.4	1.7	110.7	N270 K274 Y275 D276	N270-R272 VanDerWaalsContact C-N 3.35Å; N270-R272 PolarHBondContact O-N 3Å; N270-R272 WeakPolarHBondContact OD1-CB 3.2Å; N270-R272 PolarHBondContact OD1-N 3.35Å; N270-R272 VanDerWaalsContact OD1-N 3.15Å; R272-K274 PolarHBondContact O-N 3.4Å; R272-Y275 WeakPolarHBondContact O-CA 3.4Å; R272-Y275 WeakPolarHBondContact O-CB 3.27Å; R272-Y275 PolarHBondContact O-N 3.49Å; R272-D276 VanDerWaalsContact O-CG 3.29Å; R272-D276 PolarHBondContact O-N 3.2Å
273	Q	94	Very high	95.3	Very high	84 Å²	84	78.8 Å²	78.8	39%	0.393	40%	0.4	S	S	.	.	H	α-helix	trans	-58.1	-34.1	175.4	-71.4	178.9	-3.2	0	0	112.7	A268 A269 N270 Y275 D276 K277	A268-Q273 HydrophobicContact CB-CB 3.91Å; A269-Q273 VanDerWaalsContact CB-OE1 3.27Å; N270-Q273 PolarHBondContact OD1-N 3.23Å; Q273-Y275 VanDerWaalsContact C-N 3.32Å; Q273-D276 PolarHBondContact O-N 3.27Å; Q273-K277 WeakPolarHBondContact O-CB 3.44Å; Q273-K277 WeakPolarHBondContact O-CG 3.49Å; Q273-K277 PolarHBondContact O-N 3.43Å
274	K	94.9	Very high	95.3	Very high	99 Å²	99	82.4 Å²	82.4	43%	0.43	43%	0.426	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.8	-167.1	174.6	-176.5	173.7	0	111.4	A268 N270 K271 R272 I278	A268-K274 HydrophobicContact CB-CB 3.79Å; A268-K274 HydrophobicContact CB-CG 4.42Å; N270-K274 WeakPolarHBondContact O-CB 3.23Å; N270-K274 PolarHBondContact O-N 3.01Å; K271-K274 WeakPolarHBondContact O-CB 3.5Å; K271-K274 PolarHBondContact O-N 3.08Å; R272-K274 PolarHBondContact O-N 3.4Å; K274-I278 HydrophobicContact CG-CD1 4.27Å; K274-I278 WeakPolarHBondContact O-CD1 3.33Å; K274-I278 VanDerWaalsContact O-CG1 3.24Å; K274-I278 WeakPolarHBondContact O-CG1 3.32Å; K274-I278 PolarHBondContact O-N 3.32Å; K274-I278 VanDerWaalsContact O-N 3.11Å
275	Y	93.7	Very high	95.3	Very high	62 Å²	62	80.4 Å²	80.4	24%	0.243	42%	0.418	C	S	.	.	H	α-helix	trans	-68.5	-44	177.7	-65.9	-7.6	0	0	0	111	L223 A227 K271 R272 Q273 K277 I278 S279	L223-Y275 HydrophobicContact CD2-CD1 4.48Å; L223-Y275 HydrophobicContact CD2-CD2 3.71Å; L223-Y275 HydrophobicContact CD2-CE2 3.89Å; L223-Y275 HydrophobicContact CD2-CG 3.98Å; A227-Y275 HydrophobicContact CB-CD1 3.66Å; A227-Y275 HydrophobicContact CB-CE1 3.54Å; A227-Y275 HydrophobicContact CB-CG 4.41Å; K271-Y275 HydrophobicContact CD-CE2 4.45Å; K271-Y275 WeakPolarHBondContact CE-OH 3.47Å; K271-Y275 HydrophobicContact CG-CD1 4.5Å; K271-Y275 HydrophobicContact CG-CE1 3.95Å; K271-Y275 HydrophobicContact CG-CE2 4.02Å; K271-Y275 WeakPolarHBondContact O-CD1 3.32Å; K271-Y275 VanDerWaalsContact O-CG 3.3Å; K271-Y275 PolarHBondContact O-N 2.96Å; R272-Y275 WeakPolarHBondContact O-CA 3.4Å; R272-Y275 WeakPolarHBondContact O-CB 3.27Å; R272-Y275 PolarHBondContact O-N 3.49Å; Q273-Y275 VanDerWaalsContact C-N 3.32Å; Y275-K277 PolarHBondContact O-N 2.93Å; Y275-I278 PolarHBondContact O-N 2.86Å; Y275-I278 VanDerWaalsContact O-N 3.13Å; Y275-S279 WeakPolarHBondContact O-CB 3.45Å; Y275-S279 PolarHBondContact O-N 3.27Å
276	D	94.7	Very high	95.5	Very high	74 Å²	74	79.9 Å²	79.9	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-57.5	-48.1	176	-56.7	-25	0	0	0	110.9	R272 Q273 I278 S279 E280	R272-D276 VanDerWaalsContact O-CG 3.29Å; R272-D276 PolarHBondContact O-N 3.2Å; Q273-D276 PolarHBondContact O-N 3.27Å; D276-I278 VanDerWaalsContact C-N 3.35Å; D276-I278 PolarHBondContact O-N 2.78Å; D276-S279 VanDerWaalsContact O-CB 3.32Å; D276-S279 WeakPolarHBondContact O-CB 3.49Å; D276-S279 PolarHBondContact O-N 2.85Å; D276-S279 VanDerWaalsContact O-N 3.13Å; D276-E280 WeakPolarHBondContact O-CG 3.24Å; D276-E280 PolarHBondContact O-N 2.7Å
277	K	97.2	Very high	95.7	Very high	91 Å²	91	77.6 Å²	77.6	40%	0.396	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-37.5	176	-73.6	-171.9	-177.7	-169.3	0	113.8	L266 K267 A268 Q273 Y275 K281	L266-K277 HydrophobicContact CD1-CB 4.09Å; K267-K277 WeakPolarHBondContact O-CD 3.39Å; K267-K277 PolarHBondContact O-NZ 3.23Å; A268-K277 HydrophobicContact CB-CD 4.37Å; Q273-K277 WeakPolarHBondContact O-CB 3.44Å; Q273-K277 WeakPolarHBondContact O-CG 3.49Å; Q273-K277 PolarHBondContact O-N 3.43Å; Y275-K277 PolarHBondContact O-N 2.93Å; K277-K281 VanDerWaalsContact O-CB 3.28Å; K277-K281 WeakPolarHBondContact O-CB 3.39Å; K277-K281 PolarHBondContact O-N 2.93Å
278	I	97.6	Very high	95.9	Very high	12 Å²	12	73.7 Å²	73.7	6%	0.062	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-43.6	175.3	-70.8	166.2	0	0	0	109.7	A227 W263 L266 K274 Y275 D276 K281 K282	A227-I278 HydrophobicContact CB-CD1 4.15Å; W263-I278 HydrophobicContact CB-CG2 4.21Å; W263-I278 HydrophobicContact CG-CG2 4.11Å; L266-I278 HydrophobicContact CD1-CG1 4.17Å; K274-I278 HydrophobicContact CG-CD1 4.27Å; K274-I278 WeakPolarHBondContact O-CD1 3.33Å; K274-I278 VanDerWaalsContact O-CG1 3.24Å; K274-I278 WeakPolarHBondContact O-CG1 3.32Å; K274-I278 PolarHBondContact O-N 3.32Å; K274-I278 VanDerWaalsContact O-N 3.11Å; Y275-I278 PolarHBondContact O-N 2.86Å; Y275-I278 VanDerWaalsContact O-N 3.13Å; D276-I278 VanDerWaalsContact C-N 3.35Å; D276-I278 PolarHBondContact O-N 2.78Å; I278-K281 PolarHBondContact O-N 3.45Å; I278-K282 HydrophobicContact CG2-CD 4.19Å; I278-K282 WeakPolarHBondContact O-CG 3.36Å; I278-K282 PolarHBondContact O-N 3.35Å
279	S	96.9	Very high	96.1	Very high	11 Å²	11	76.1 Å²	76.1	8%	0.077	38%	0.384	C	S	.	.	H	α-helix	trans	-58.6	-54.1	177.2	-174.7	0	0	0	0	111.2	H235 Y275 D276 K281 K282 M283	H235-S279 WeakPolarHBondContact CB-OG 3.48Å; Y275-S279 WeakPolarHBondContact O-CB 3.45Å; Y275-S279 PolarHBondContact O-N 3.27Å; D276-S279 VanDerWaalsContact O-CB 3.32Å; D276-S279 WeakPolarHBondContact O-CB 3.49Å; D276-S279 PolarHBondContact O-N 2.85Å; D276-S279 VanDerWaalsContact O-N 3.13Å; S279-K281 VanDerWaalsContact C-N 3.29Å; S279-K281 PolarHBondContact O-N 3.21Å; S279-K282 WeakPolarHBondContact O-CB 3.45Å; S279-K282 PolarHBondContact O-N 2.88Å; S279-M283 PolarHBondContact O-N 3.45Å; S279-M283 WeakPolarHBondContact OG-CE 3.43Å
280	E	97.5	Very high	96.2	Very high	121 Å²	121	72 Å²	72	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-55.4	-44.1	176.3	-72.3	170.1	-171.7	0	0	111.7	D276 K282 M283 S284	D276-E280 WeakPolarHBondContact O-CG 3.24Å; D276-E280 PolarHBondContact O-N 2.7Å; E280-K282 VanDerWaalsContact C-N 3.34Å; E280-K282 PolarHBondContact O-N 2.92Å; E280-M283 PolarHBondContact O-N 3.03Å; E280-S284 VanDerWaalsContact O-CB 3.31Å; E280-S284 WeakPolarHBondContact O-CB 3.28Å; E280-S284 PolarHBondContact O-N 2.76Å; E280-S284 PolarHBondContact O-OG 3.25Å
281	K	98.1	Very high	96.4	Very high	86 Å²	86	68.4 Å²	68.4	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-68.2	-31.6	179.2	-171.2	57	175.4	176.5	0	113	W263 L266 K277 I278 S279 S284 C285	W263-K281 HydrophobicContact CB-CB 3.94Å; W263-K281 HydrophobicContact CB-CG 3.82Å; L266-K281 HydrophobicContact CD1-CB 4.13Å; K277-K281 VanDerWaalsContact O-CB 3.28Å; K277-K281 WeakPolarHBondContact O-CB 3.39Å; K277-K281 PolarHBondContact O-N 2.93Å; I278-K281 PolarHBondContact O-N 3.45Å; S279-K281 VanDerWaalsContact C-N 3.29Å; S279-K281 PolarHBondContact O-N 3.21Å; K281-S284 WeakPolarHBondContact CA-OG 3.39Å; K281-S284 PolarHBondContact O-OG 2.86Å; K281-C285 VanDerWaalsContact O-CB 3.23Å; K281-C285 WeakPolarHBondContact O-CB 3.48Å; K281-C285 PolarHBondContact O-N 3.45Å
282	K	98.2	Very high	96.8	Very high	1 Å²	1	69.5 Å²	69.5	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-70.3	-45.3	174.1	-79.9	178.8	170.3	-177.4	0	111.9	A227 R228 A230 I232 W263 I278 S279 E280 C285	A227-K282 PolarHBondContact O-NZ 3.08Å; R228-K282 WeakPolarHBondContact O-CE 3.38Å; R228-K282 PolarHBondContact O-NZ 3.4Å; A230-K282 PolarHBondContact O-NZ 2.78Å; I232-K282 HydrophobicContact CG1-CB 4.13Å; W263-K282 HydrophobicContact CD2-CD 4.39Å; W263-K282 HydrophobicContact CD2-CG 3.62Å; W263-K282 HydrophobicContact CE3-CG 3.62Å; W263-K282 HydrophobicContact CG-CG 4.16Å; W263-K282 HydrophobicContact CH2-CG 4.13Å; W263-K282 HydrophobicContact CZ2-CD 4.41Å; W263-K282 VanDerWaalsContact CZ2-CE 3.44Å; W263-K282 HydrophobicContact CZ2-CG 4.13Å; W263-K282 HydrophobicContact CZ3-CG 3.88Å; I278-K282 HydrophobicContact CG2-CD 4.19Å; I278-K282 WeakPolarHBondContact O-CG 3.36Å; I278-K282 PolarHBondContact O-N 3.35Å; S279-K282 WeakPolarHBondContact O-CB 3.45Å; S279-K282 PolarHBondContact O-N 2.88Å; E280-K282 VanDerWaalsContact C-N 3.34Å; E280-K282 PolarHBondContact O-N 2.92Å; K282-C285 PolarHBondContact O-N 3.05Å
283	M	96.9	Very high	97.1	Very high	90 Å²	90	64.2 Å²	64.2	44%	0.443	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-37.8	179.3	-69.3	-175.8	-71.2	0	0	112	I232 L236 S279 E280 C285	I232-M283 HydrophobicContact CD1-CG 4.37Å; I232-M283 HydrophobicContact CG2-CG 3.8Å; I232-M283 HydrophobicContact CG2-SD 4.26Å; L236-M283 HydrophobicContact CD2-CE 4.41Å; L236-M283 HydrophobicContact CD2-SD 3.96Å; S279-M283 PolarHBondContact O-N 3.45Å; S279-M283 WeakPolarHBondContact OG-CE 3.43Å; E280-M283 PolarHBondContact O-N 3.03Å; M283-C285 VanDerWaalsContact C-N 3.32Å; M283-C285 PolarHBondContact O-N 3.04Å
284	S	97.5	Very high	97.3	Very high	80 Å²	80	63.8 Å²	63.8	56%	0.559	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.9	177.7	60	0	0	0	0	114.8	E280 K281 P286	E280-S284 VanDerWaalsContact O-CB 3.31Å; E280-S284 WeakPolarHBondContact O-CB 3.28Å; E280-S284 PolarHBondContact O-N 2.76Å; E280-S284 PolarHBondContact O-OG 3.25Å; K281-S284 WeakPolarHBondContact CA-OG 3.39Å; K281-S284 PolarHBondContact O-OG 2.86Å; S284-P286 WeakPolarHBondContact O-CD 3.33Å
285	C	97.4	Very high	97.5	Very high	10 Å²	10	60.7 Å²	60.7	7%	0.068	33%	0.325	C	S	.	.	S	Bend	trans	-103.9	103.3	175.6	-170.8	0	0	0	0	109.8	K281 K282 M283	K281-C285 VanDerWaalsContact O-CB 3.23Å; K281-C285 WeakPolarHBondContact O-CB 3.48Å; K281-C285 PolarHBondContact O-N 3.45Å; K282-C285 PolarHBondContact O-N 3.05Å; M283-C285 VanDerWaalsContact C-N 3.32Å; M283-C285 PolarHBondContact O-N 3.04Å
286	P	97.4	Very high	97.7	Very high	65 Å²	65	60.4 Å²	60.4	42%	0.422	34%	0.335	S	S	.	.			trans	-56	150	172.6	-23.7	33.3	0	0	0	111.5	S284 E288 V289 L290	S284-P286 WeakPolarHBondContact O-CD 3.33Å; P286-E288 PolarHBondContact O-N 3.29Å; P286-V289 HydrophobicContact CB-CB 4.37Å; P286-V289 HydrophobicContact CB-CG2 4.03Å; P286-V289 HydrophobicContact CG-CG2 4Å; P286-V289 PolarHBondContact O-N 3.25Å; P286-V289 VanDerWaalsContact O-N 3.13Å; P286-L290 PolarHBondContact O-N 3.17Å
287	V	98.4	Very high	97.9	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-38.6	179.9	173.4	0	0	0	0	110.4	V289 L290 C291 A299 L302 N303 R306	V287-V289 VanDerWaalsContact C-N 3.27Å; V287-V289 PolarHBondContact O-N 3.44Å; V287-L290 PolarHBondContact O-N 2.96Å; V287-C291 WeakPolarHBondContact O-CB 3.46Å; V287-C291 PolarHBondContact O-N 3.16Å; V287-C291 PolarHBondContact O-SG 3.32Å; V287-C291 VanDerWaalsContact O-SG 3.4Å; V287-A299 HydrophobicContact CG1-CB 3.87Å; V287-L302 HydrophobicContact CG1-CB 3.63Å; V287-L302 HydrophobicContact CG1-CD1 4.09Å; V287-L302 HydrophobicContact CG2-CB 4.19Å; V287-N303 WeakPolarHBondContact CB-OD1 3.23Å; V287-N303 VanDerWaalsContact CG2-OD1 3.3Å; V287-N303 WeakPolarHBondContact CG2-OD1 3.36Å; V287-R306 VanDerWaalsContact CG2-NH1 3.33Å
288	E	98	Very high	98	Very high	108 Å²	108	54.6 Å²	54.6	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-33.6	179.2	-62.4	65.8	-140.5	0	0	111.3	P286 K292 N303	P286-E288 PolarHBondContact O-N 3.29Å; E288-K292 PolarHBondContact O-N 3.25Å; E288-K292 VanDerWaalsContact O-N 3.1Å; E288-N303 PolarHBondContact OE1-ND2 3.49Å
289	V	98.1	Very high	98	Very high	90 Å²	90	54.7 Å²	54.7	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-73.8	-42.9	174.9	175.6	0	0	0	0	110.6	P286 V287 C291 K292	P286-V289 HydrophobicContact CB-CB 4.37Å; P286-V289 HydrophobicContact CB-CG2 4.03Å; P286-V289 HydrophobicContact CG-CG2 4Å; P286-V289 PolarHBondContact O-N 3.25Å; P286-V289 VanDerWaalsContact O-N 3.13Å; V287-V289 VanDerWaalsContact C-N 3.27Å; V287-V289 PolarHBondContact O-N 3.44Å; V289-C291 VanDerWaalsContact C-N 3.32Å; V289-C291 PolarHBondContact O-N 3.07Å; V289-K292 WeakPolarHBondContact O-CB 3.3Å; V289-K292 PolarHBondContact O-N 2.81Å
290	L	98.4	Very high	98.1	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-42.1	176.8	177.7	64	0	0	0	111.6	Y251 M254 L258 L261 P262 W263 P286 V287 L302	Y251-L290 HydrophobicContact CD1-CD2 4.1Å; Y251-L290 HydrophobicContact CE1-CD2 4.13Å; M254-L290 HydrophobicContact CB-CD2 4.49Å; M254-L290 HydrophobicContact CB-CG 4.5Å; M254-L290 HydrophobicContact CE-CG 4.49Å; M254-L290 VanDerWaalsContact CE-O 3.3Å; M254-L290 WeakPolarHBondContact CE-O 3.42Å; M254-L290 HydrophobicContact CG-CD2 4.33Å; M254-L290 HydrophobicContact CG-CG 4.37Å; L258-L290 HydrophobicContact CD1-CD1 3.79Å; L261-L290 HydrophobicContact CD2-CD1 4.15Å; P262-L290 HydrophobicContact CG-CD1 3.8Å; W263-L290 HydrophobicContact CH2-CD1 4.19Å; W263-L290 HydrophobicContact CH2-CD2 3.9Å; W263-L290 HydrophobicContact CZ3-CD1 4.19Å; W263-L290 HydrophobicContact CZ3-CD2 4.31Å; P286-L290 PolarHBondContact O-N 3.17Å; V287-L290 PolarHBondContact O-N 2.96Å; L290-L302 HydrophobicContact CD2-CD1 3.86Å
291	C	98.5	Very high	98.2	Very high	7 Å²	7	52.6 Å²	52.6	5%	0.047	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3	-176.5	-61.9	0	0	0	0	114	M254 V287 V289 G293 Y294 A299	M254-C291 HydrophobicContact CE-CB 4.31Å; M254-C291 VanDerWaalsContact SD-SG 3.68Å; V287-C291 WeakPolarHBondContact O-CB 3.46Å; V287-C291 PolarHBondContact O-N 3.16Å; V287-C291 PolarHBondContact O-SG 3.32Å; V287-C291 VanDerWaalsContact O-SG 3.4Å; V289-C291 VanDerWaalsContact C-N 3.32Å; V289-C291 PolarHBondContact O-N 3.07Å; C291-G293 PolarHBondContact O-N 3.21Å; C291-Y294 PolarHBondContact O-N 2.92Å; C291-A299 HydrophobicContact CB-CB 3.97Å
292	K	98.1	Very high	98.2	Very high	169 Å²	169	48.5 Å²	48.5	74%	0.735	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	127.1	-177.7	-173.8	176.7	179.9	177.5	0	111.1	E288 V289	E288-K292 PolarHBondContact O-N 3.25Å; E288-K292 VanDerWaalsContact O-N 3.1Å; V289-K292 WeakPolarHBondContact O-CB 3.3Å; V289-K292 PolarHBondContact O-N 2.81Å
293	G	97.8	Very high	98.2	Very high	80 Å²	80	50.9 Å²	50.9	83%	0.825	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-0.3	179.8	0	0	0	0	0	115.2	C291	C291-G293 PolarHBondContact O-N 3.21Å
294	Y	98.3	Very high	98.3	Very high	76 Å²	76	49.2 Å²	49.2	30%	0.298	28%	0.284	S	S	.	.	S	Bend	trans	-111.5	163	172.5	-65.1	-85.2	0	0	0	110.7	M152 M254 N257 L258 C291	M152-Y294 HydrophobicContact CE-CD1 3.91Å; M254-Y294 HydrophobicContact CE-CD2 4.03Å; M254-Y294 HydrophobicContact CE-CG 4.47Å; N257-Y294 HydrophobicContact CB-CD1 3.77Å; N257-Y294 HydrophobicContact CB-CE1 3.47Å; N257-Y294 VanDerWaalsContact CB-CE1 3.47Å; N257-Y294 HydrophobicContact CB-CE2 4.34Å; N257-Y294 HydrophobicContact CB-CG 4.32Å; N257-Y294 PolarHBondContact O-OH 3.33Å; L258-Y294 HydrophobicContact CD2-CD2 4.36Å; L258-Y294 HydrophobicContact CD2-CE2 3.48Å; L258-Y294 VanDerWaalsContact CD2-CE2 3.48Å; L258-Y294 HydrophobicContact CG-CE2 4.13Å; C291-Y294 PolarHBondContact O-N 2.92Å
295	P	98.5	Very high	98.4	Very high	34 Å²	34	45.4 Å²	45.4	22%	0.221	26%	0.258	C	S	.	.			trans	-52.1	144.4	176.7	-28.8	36.6	0	0	0	113.4	M152 E297 F298 L326	M152-P295 HydrophobicContact CE-CG 3.99Å; M152-P295 HydrophobicContact SD-CG 4.37Å; P295-E297 WeakPolarHBondContact CB-OE2 3.44Å; P295-E297 PolarHBondContact O-N 3.18Å; P295-E297 VanDerWaalsContact O-N 3.12Å; P295-F298 HydrophobicContact CB-CD2 4.22Å; P295-F298 HydrophobicContact CB-CE2 4.32Å; P295-F298 HydrophobicContact CG-CE2 4.25Å; P295-F298 WeakPolarHBondContact O-CD2 3.47Å; P295-F298 PolarHBondContact O-N 3.49Å; P295-L326 HydrophobicContact CB-CD1 3.81Å; P295-L326 HydrophobicContact CB-CD2 3.49Å; P295-L326 VanDerWaalsContact CB-CD2 3.49Å; P295-L326 HydrophobicContact CB-CG 4.31Å; P295-L326 HydrophobicContact CG-CD1 4.08Å; P295-L326 HydrophobicContact CG-CD2 3.86Å
296	A	98.4	Very high	98.4	Very high	55 Å²	55	47.8 Å²	47.8	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-24.5	-172.3	0	0	0	0	0	113.1	F298 A299 M300	A296-F298 PolarHBondContact O-N 3.1Å; A296-A299 WeakPolarHBondContact O-CB 3.26Å; A296-A299 PolarHBondContact O-N 2.87Å; A296-M300 HydrophobicContact CB-CE 3.94Å; A296-M300 WeakPolarHBondContact O-CG 3.35Å; A296-M300 PolarHBondContact O-N 3.07Å
297	E	98.7	Very high	98.4	Very high	40 Å²	40	51 Å²	51	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-32	178.5	-66.4	81.9	173.9	0	0	112.6	P295 M300 Y301 L322 F323 L326	P295-E297 WeakPolarHBondContact CB-OE2 3.44Å; P295-E297 PolarHBondContact O-N 3.18Å; P295-E297 VanDerWaalsContact O-N 3.12Å; E297-M300 PolarHBondContact O-N 3.5Å; E297-Y301 WeakPolarHBondContact O-CB 3.4Å; E297-Y301 PolarHBondContact O-N 3.22Å; E297-L322 HydrophobicContact CB-CB 4.41Å; E297-L322 HydrophobicContact CG-CB 4.43Å; E297-F323 HydrophobicContact CB-CD1 4.4Å; E297-F323 HydrophobicContact CB-CE1 4.35Å; E297-L326 HydrophobicContact CB-CD2 4.19Å; E297-L326 HydrophobicContact CG-CB 4.14Å; E297-L326 HydrophobicContact CG-CD2 4.26Å
298	F	98.8	Very high	98.5	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-39.8	175	-69.9	-82.1	0	0	0	112	M152 V155 L156 L253 M254 N257 P295 A296 L302 F323 L326	M152-F298 HydrophobicContact CE-CE2 3.73Å; M152-F298 HydrophobicContact CE-CZ 4.11Å; M152-F298 HydrophobicContact SD-CE2 3.54Å; M152-F298 VanDerWaalsContact SD-CE2 3.54Å; M152-F298 HydrophobicContact SD-CZ 3.6Å; V155-F298 HydrophobicContact CG1-CE1 4Å; V155-F298 HydrophobicContact CG1-CZ 4.05Å; L156-F298 HydrophobicContact CD2-CZ 4.13Å; L253-F298 HydrophobicContact CB-CD1 4.36Å; L253-F298 HydrophobicContact CB-CE1 4.15Å; M254-F298 HydrophobicContact SD-CB 3.73Å; M254-F298 HydrophobicContact SD-CD1 3.9Å; M254-F298 HydrophobicContact SD-CG 3.94Å; N257-F298 WeakPolarHBondContact ND2-CD1 3.36Å; N257-F298 WeakPolarHBondContact ND2-CE1 3.34Å; N257-F298 WeakPolarHBondContact ND2-CZ 3.49Å; P295-F298 HydrophobicContact CB-CD2 4.22Å; P295-F298 HydrophobicContact CB-CE2 4.32Å; P295-F298 HydrophobicContact CG-CE2 4.25Å; P295-F298 WeakPolarHBondContact O-CD2 3.47Å; P295-F298 PolarHBondContact O-N 3.49Å; A296-F298 PolarHBondContact O-N 3.1Å; F298-L302 PolarHBondContact O-N 2.93Å; F298-F323 AromaticContact CD1-CE1 3.88Å; F298-F323 HydrophobicContact CD1-CE1 3.88Å; F298-F323 HydrophobicContact CD1-CZ 4.26Å; F298-F323 AromaticContact CE1-CE1 3.87Å; F298-F323 HydrophobicContact CE1-CE1 3.87Å; F298-F323 HydrophobicContact CE1-CZ 4.4Å; F298-F323 HydrophobicContact CG-CE1 4.26Å; F298-F323 HydrophobicContact CZ-CE1 4.23Å; F298-L326 HydrophobicContact CE2-CD2 4.36Å
299	A	98.7	Very high	98.5	Very high	15 Å²	15	54.4 Å²	54.4	12%	0.124	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-43.6	174.4	0	0	0	0	0	111.1	V287 C291 A296 Y301 L302 N303	V287-A299 HydrophobicContact CG1-CB 3.87Å; C291-A299 HydrophobicContact CB-CB 3.97Å; A296-A299 WeakPolarHBondContact O-CB 3.26Å; A296-A299 PolarHBondContact O-N 2.87Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 PolarHBondContact O-N 2.89Å; A299-L302 PolarHBondContact O-N 3.15Å; A299-N303 WeakPolarHBondContact O-CB 3.09Å; A299-N303 PolarHBondContact O-N 3.42Å; A299-N303 PolarHBondContact O-ND2 2.92Å
300	M	98.7	Very high	98.5	Very high	86 Å²	86	50.9 Å²	50.9	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-56.8	-45.2	175.1	-65	179.8	-165	0	0	111.6	A296 E297 Y304 L322	A296-M300 HydrophobicContact CB-CE 3.94Å; A296-M300 WeakPolarHBondContact O-CG 3.35Å; A296-M300 PolarHBondContact O-N 3.07Å; E297-M300 PolarHBondContact O-N 3.5Å; M300-Y304 VanDerWaalsContact O-CB 3.27Å; M300-Y304 WeakPolarHBondContact O-CB 3.27Å; M300-Y304 PolarHBondContact O-N 3.05Å; M300-L322 HydrophobicContact CB-CD1 4.25Å; M300-L322 HydrophobicContact SD-CD2 4.11Å
301	Y	98.9	Very high	98.5	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-50	177	177.2	-81.4	0	0	0	112.1	I163 M246 G250 E297 A299 Y304 C305 M319 F323	I163-Y301 HydrophobicContact CD1-CE2 4.33Å; M246-Y301 HydrophobicContact CE-CE2 4.45Å; M246-Y301 WeakPolarHBondContact CE-OH 3.46Å; M246-Y301 VanDerWaalsContact O-CE1 3.28Å; M246-Y301 WeakPolarHBondContact O-CE1 3.31Å; M246-Y301 PolarHBondContact O-OH 3.23Å; G250-Y301 VanDerWaalsContact CA-CE1 3.47Å; E297-Y301 WeakPolarHBondContact O-CB 3.4Å; E297-Y301 PolarHBondContact O-N 3.22Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 PolarHBondContact O-N 2.89Å; Y301-Y304 PolarHBondContact O-N 3.18Å; Y301-C305 WeakPolarHBondContact CE1-SG 3.47Å; Y301-C305 PolarHBondContact O-N 3.43Å; Y301-C305 PolarHBondContact O-SG 3.03Å; Y301-M319 HydrophobicContact CD2-CB 4.21Å; Y301-M319 HydrophobicContact CD2-CG 4.16Å; Y301-M319 HydrophobicContact CD2-SD 4.48Å; Y301-M319 HydrophobicContact CE2-CB 4.09Å; Y301-M319 HydrophobicContact CE2-CE 4.29Å; Y301-M319 HydrophobicContact CE2-CG 4.03Å; Y301-M319 HydrophobicContact CE2-SD 3.81Å; Y301-F323 AromaticContact CD2-CE2 3.56Å; Y301-F323 HydrophobicContact CD2-CE2 3.56Å; Y301-F323 AromaticContact CD2-CZ 3.91Å; Y301-F323 HydrophobicContact CD2-CZ 3.91Å; Y301-F323 HydrophobicContact CE2-CE2 4.08Å; Y301-F323 HydrophobicContact CG-CE2 4.09Å; Y301-F323 AromaticContact CG-CZ 3.94Å; Y301-F323 HydrophobicContact CG-CZ 3.94Å
302	L	98.8	Very high	98.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-42.9	-178.6	-83.4	169.7	0	0	0	112.1	E247 Y251 M254 V287 L290 F298 A299 Y304 C305 R306	E247-L302 HydrophobicContact CG-CD2 4.49Å; Y251-L302 HydrophobicContact CD1-CD2 4.13Å; Y251-L302 HydrophobicContact CE1-CD2 3.99Å; M254-L302 HydrophobicContact CG-CD1 4.01Å; V287-L302 HydrophobicContact CG1-CB 3.63Å; V287-L302 HydrophobicContact CG1-CD1 4.09Å; V287-L302 HydrophobicContact CG2-CB 4.19Å; L290-L302 HydrophobicContact CD2-CD1 3.86Å; F298-L302 PolarHBondContact O-N 2.93Å; A299-L302 PolarHBondContact O-N 3.15Å; L302-Y304 VanDerWaalsContact C-N 3.34Å; L302-C305 PolarHBondContact O-N 2.99Å; L302-R306 WeakPolarHBondContact O-CG 3.23Å; L302-R306 PolarHBondContact O-N 3.31Å
303	N	98.7	Very high	98.5	Very high	50 Å²	50	53.7 Å²	53.7	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-62.8	-41.7	175.8	-76.8	-28.3	0	0	0	111.2	V287 E288 A299 C305 R306 N307	V287-N303 WeakPolarHBondContact CB-OD1 3.23Å; V287-N303 VanDerWaalsContact CG2-OD1 3.3Å; V287-N303 WeakPolarHBondContact CG2-OD1 3.36Å; E288-N303 PolarHBondContact OE1-ND2 3.49Å; A299-N303 WeakPolarHBondContact O-CB 3.09Å; A299-N303 PolarHBondContact O-N 3.42Å; A299-N303 PolarHBondContact O-ND2 2.92Å; N303-C305 PolarHBondContact O-N 3.43Å; N303-R306 PolarHBondContact O-N 2.94Å; N303-N307 WeakPolarHBondContact O-CB 3.36Å; N303-N307 VanDerWaalsContact O-CG 3.27Å; N303-N307 PolarHBondContact O-N 3.11Å; N303-N307 VanDerWaalsContact O-N 3.1Å; N303-N307 PolarHBondContact O-ND2 3.36Å
304	Y	98.7	Very high	98.6	Very high	56 Å²	56	50.1 Å²	50.1	22%	0.22	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-50.4	172.9	-179	-82.7	0	0	0	111.3	M300 Y301 L302 R306 N307 L308 D315 Y318 M319	M300-Y304 VanDerWaalsContact O-CB 3.27Å; M300-Y304 WeakPolarHBondContact O-CB 3.27Å; M300-Y304 PolarHBondContact O-N 3.05Å; Y301-Y304 PolarHBondContact O-N 3.18Å; L302-Y304 VanDerWaalsContact C-N 3.34Å; Y304-R306 VanDerWaalsContact C-N 3.34Å; Y304-R306 PolarHBondContact O-N 2.86Å; Y304-N307 PolarHBondContact O-N 3.32Å; Y304-L308 HydrophobicContact CD1-CD1 4.3Å; Y304-L308 HydrophobicContact CD1-CG 4.31Å; Y304-L308 HydrophobicContact CE1-CD1 3.94Å; Y304-L308 HydrophobicContact CE1-CD2 3.78Å; Y304-L308 HydrophobicContact CE1-CG 3.96Å; Y304-L308 PolarHBondContact O-N 3.01Å; Y304-D315 VanDerWaalsContact OH-CB 3.29Å; Y304-D315 WeakPolarHBondContact OH-CB 3.39Å; Y304-D315 PolarHBondContact OH-N 2.95Å; Y304-Y318 AromaticContact CD2-CD1 3.87Å; Y304-Y318 HydrophobicContact CD2-CD1 3.87Å; Y304-Y318 AromaticContact CD2-CE1 3.5Å; Y304-Y318 HydrophobicContact CD2-CE1 3.5Å; Y304-Y318 VanDerWaalsContact CD2-CE1 3.5Å; Y304-Y318 AromaticContact CE2-CD1 3.83Å; Y304-Y318 HydrophobicContact CE2-CD1 3.83Å; Y304-Y318 AromaticContact CE2-CE1 3.93Å; Y304-Y318 HydrophobicContact CE2-CE1 3.93Å; Y304-Y318 HydrophobicContact CG-CD1 4.38Å; Y304-Y318 AromaticContact CG-CE1 3.98Å; Y304-Y318 HydrophobicContact CG-CE1 3.98Å; Y304-M319 HydrophobicContact CD1-CE 3.31Å; Y304-M319 HydrophobicContact CD1-CG 4.44Å; Y304-M319 HydrophobicContact CE1-CE 3.44Å; Y304-M319 VanDerWaalsContact CE1-CE 3.44Å; Y304-M319 HydrophobicContact CE1-CG 4.49Å
305	C	98.7	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-43.3	-179.2	-65	0	0	0	0	112.5	E247 Y301 L302 N303 N307 L308 M319	E247-C305 HydrophobicContact CB-CB 4.06Å; Y301-C305 WeakPolarHBondContact CE1-SG 3.47Å; Y301-C305 PolarHBondContact O-N 3.43Å; Y301-C305 PolarHBondContact O-SG 3.03Å; L302-C305 PolarHBondContact O-N 2.99Å; N303-C305 PolarHBondContact O-N 3.43Å; C305-N307 VanDerWaalsContact C-N 3.29Å; C305-N307 PolarHBondContact O-N 2.7Å; C305-L308 PolarHBondContact O-N 3.36Å; C305-M319 WeakPolarHBondContact SG-CE 3.15Å
306	R	97.9	Very high	98.6	Very high	60 Å²	60	49.6 Å²	49.6	23%	0.226	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-28.8	-180	-73.7	-178.5	176.5	-171.2	2.2	113	E247 Y251 V287 L302 N303 Y304	E247-R306 HydrophobicContact CG-CG 4.42Å; Y251-R306 PolarHBondContact OH-NH2 3.13Å; V287-R306 VanDerWaalsContact CG2-NH1 3.33Å; L302-R306 WeakPolarHBondContact O-CG 3.23Å; L302-R306 PolarHBondContact O-N 3.31Å; N303-R306 PolarHBondContact O-N 2.94Å; Y304-R306 VanDerWaalsContact C-N 3.34Å; Y304-R306 PolarHBondContact O-N 2.86Å
307	N	98.3	Very high	98.6	Very high	132 Å²	132	51.4 Å²	51.4	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-85.7	-9.6	-179.9	-71.8	-24.2	0	0	0	114.1	N303 Y304 C305 R309	N303-N307 WeakPolarHBondContact O-CB 3.36Å; N303-N307 VanDerWaalsContact O-CG 3.27Å; N303-N307 PolarHBondContact O-N 3.11Å; N303-N307 VanDerWaalsContact O-N 3.1Å; N303-N307 PolarHBondContact O-ND2 3.36Å; Y304-N307 PolarHBondContact O-N 3.32Å; C305-N307 VanDerWaalsContact C-N 3.29Å; C305-N307 PolarHBondContact O-N 2.7Å; N307-R309 PolarHBondContact O-N 3.13Å
308	L	98.7	Very high	98.6	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	26%	0.257	C	S	.	.			trans	-64	132.9	175.6	-73.1	170.4	0	0	0	111.4	R243 Y304 C305 E312 P314	R243-L308 HydrophobicContact CB-CB 3.73Å; R243-L308 HydrophobicContact CB-CD1 3.88Å; R243-L308 HydrophobicContact CB-CG 4.49Å; R243-L308 WeakPolarHBondContact CD-O 3.43Å; R243-L308 PolarHBondContact NH1-O 3.38Å; Y304-L308 HydrophobicContact CD1-CD1 4.3Å; Y304-L308 HydrophobicContact CD1-CG 4.31Å; Y304-L308 HydrophobicContact CE1-CD1 3.94Å; Y304-L308 HydrophobicContact CE1-CD2 3.78Å; Y304-L308 HydrophobicContact CE1-CG 3.96Å; Y304-L308 PolarHBondContact O-N 3.01Å; C305-L308 PolarHBondContact O-N 3.36Å; L308-E312 HydrophobicContact CD2-CB 4.13Å; L308-E312 HydrophobicContact CD2-CG 3.8Å; L308-P314 HydrophobicContact CD1-CB 4.01Å; L308-P314 HydrophobicContact CD1-CG 3.91Å
309	R	98.6	Very high	98.6	Very high	178 Å²	178	53.2 Å²	53.2	67%	0.672	26%	0.256	S	S	*	.			trans	-68.9	159.7	169.9	-60.9	174	-68.8	175.1	-0.9	110.7	N307 E311 E312	N307-R309 PolarHBondContact O-N 3.13Å; R309-E311 VanDerWaalsContact C-N 3.29Å; R309-E311 PolarHBondContact O-N 3.27Å; R309-E312 HydrophobicContact CB-CB 4.1Å; R309-E312 WeakPolarHBondContact CG-OE2 3.34Å; R309-E312 IonicContact CZ-OE2 3.86Å; R309-E312 PolarHBondContact N-OE2 3.38Å; R309-E312 VanDerWaalsContact N-OE2 3.12Å; R309-E312 IonicContact NE-OE2 3.02Å; R309-E312 PolarHBondContact NE-OE2 3.13Å; R309-E312 IonicContact NH2-OE2 3.79Å; R309-E312 VanDerWaalsContact O-CB 3.3Å; R309-E312 WeakPolarHBondContact O-CB 3.23Å; R309-E312 PolarHBondContact O-N 3.48Å
310	F	98.6	Very high	98.6	Very high	15 Å²	15	53.7 Å²	53.7	7%	0.066	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-42.5	-175.8	175	-112.4	0	0	0	113.5	H214 I215 Y217 E239 S241	H214-F310 AromaticContact CE1-CD1 3.91Å; H214-F310 AromaticContact CE1-CE1 3.5Å; H214-F310 VanDerWaalsContact CE1-CE1 3.5Å; H214-F310 WeakPolarHBondContact CE1-CE1 3.5Å; H214-F310 AromaticContact CE1-CZ 3.63Å; H214-F310 AromaticContact ND1-CE1 3.47Å; H214-F310 WeakPolarHBondContact ND1-CE1 3.48Å; H214-F310 AromaticContact ND1-CZ 3.95Å; H214-F310 PolarHBondContact NE2-O 3.07Å; I215-F310 HydrophobicContact CD1-CZ 4.35Å; I215-F310 HydrophobicContact CG1-CZ 4.06Å; I215-F310 VanDerWaalsContact O-CE1 3.31Å; I215-F310 WeakPolarHBondContact O-CE1 3.48Å; Y217-F310 HydrophobicContact CD2-CB 3.89Å; Y217-F310 AromaticContact CD2-CD1 3.85Å; Y217-F310 HydrophobicContact CD2-CD1 3.85Å; Y217-F310 HydrophobicContact CD2-CD2 4.08Å; Y217-F310 HydrophobicContact CD2-CE1 4.37Å; Y217-F310 AromaticContact CD2-CG 3.67Å; Y217-F310 HydrophobicContact CD2-CG 3.67Å; Y217-F310 HydrophobicContact CE2-CB 4.41Å; Y217-F310 HydrophobicContact CE2-CG 4.43Å; Y217-F310 HydrophobicContact CG-CD1 4.4Å; E239-F310 HydrophobicContact CB-CE2 4.4Å; E239-F310 HydrophobicContact CB-CZ 4.43Å; E239-F310 WeakPolarHBondContact O-CE2 3.24Å; S241-F310 WeakPolarHBondContact CB-O 3.29Å; S241-F310 PolarHBondContact OG-O 3.38Å
311	E	98.4	Very high	98.5	Very high	119 Å²	119	54.1 Å²	54.1	56%	0.556	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.4	-178.5	-53.8	-171.3	158	0	0	113.6	H214 R242 R309	H214-E311 HydrophobicContact CB-CB 4.33Å; H214-E311 HydrophobicContact CB-CG 4.03Å; R242-E311 PolarHBondContact NH2-O 3.07Å; R309-E311 VanDerWaalsContact C-N 3.29Å; R309-E311 PolarHBondContact O-N 3.27Å
312	E	98.4	Very high	98.5	Very high	62 Å²	62	55 Å²	55	29%	0.29	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-70.3	143.4	-173.4	-162	162	159.2	0	0	111.5	R242 L308 R309 P314	R242-E312 PolarHBondContact NH2-O 3.25Å; L308-E312 HydrophobicContact CD2-CB 4.13Å; L308-E312 HydrophobicContact CD2-CG 3.8Å; R309-E312 HydrophobicContact CB-CB 4.1Å; R309-E312 WeakPolarHBondContact CG-OE2 3.34Å; R309-E312 IonicContact CZ-OE2 3.86Å; R309-E312 PolarHBondContact N-OE2 3.38Å; R309-E312 VanDerWaalsContact N-OE2 3.12Å; R309-E312 IonicContact NE-OE2 3.02Å; R309-E312 PolarHBondContact NE-OE2 3.13Å; R309-E312 IonicContact NH2-OE2 3.79Å; R309-E312 VanDerWaalsContact O-CB 3.3Å; R309-E312 WeakPolarHBondContact O-CB 3.23Å; R309-E312 PolarHBondContact O-N 3.48Å; E312-P314 WeakPolarHBondContact O-CD 3.08Å
313	A	98.4	Very high	98.5	Very high	59 Å²	59	55.2 Å²	55.2	49%	0.488	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-85.1	122.4	171.6	0	0	0	0	0	108.7	D315	A313-D315 PolarHBondContact O-N 3.35Å
314	P	98.6	Very high	98.5	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.032	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58.8	137.2	169.9	-18.4	28.2	0	0	0	110.7	R242 M246 L308 E312 Y316 M319	R242-P314 HydrophobicContact CB-CG 4Å; M246-P314 HydrophobicContact CG-CB 4.14Å; M246-P314 HydrophobicContact CG-CG 3.87Å; L308-P314 HydrophobicContact CD1-CB 4.01Å; L308-P314 HydrophobicContact CD1-CG 3.91Å; E312-P314 WeakPolarHBondContact O-CD 3.08Å; P314-Y316 VanDerWaalsContact C-N 3.33Å; P314-Y316 HydrophobicContact CB-CD1 4.23Å; P314-Y316 HydrophobicContact CB-CE1 3.86Å; P314-Y316 HydrophobicContact CB-CE2 4.47Å; P314-Y316 HydrophobicContact CG-CE1 4.01Å; P314-Y316 WeakPolarHBondContact O-CD2 3.4Å; P314-Y316 VanDerWaalsContact O-CE2 3.23Å; P314-Y316 WeakPolarHBondContact O-CE2 3.32Å; P314-Y316 PolarHBondContact O-N 2.93Å; P314-M319 HydrophobicContact CB-CE 4.05Å; P314-M319 HydrophobicContact CB-SD 4.38Å
315	D	98.6	Very high	98.5	Very high	79 Å²	79	59.9 Å²	59.9	42%	0.422	28%	0.281	S	S	.	.			trans	-78.7	85.5	166.8	-172	-18.4	0	0	0	109.4	Y304 A313 M317 Y318 M319	Y304-D315 VanDerWaalsContact OH-CB 3.29Å; Y304-D315 WeakPolarHBondContact OH-CB 3.39Å; Y304-D315 PolarHBondContact OH-N 2.95Å; A313-D315 PolarHBondContact O-N 3.35Å; D315-M317 PolarHBondContact O-N 2.86Å; D315-M317 WeakPolarHBondContact OD1-CB 3.36Å; D315-M317 PolarHBondContact OD1-N 2.57Å; D315-M317 VanDerWaalsContact OD1-N 3.07Å; D315-Y318 VanDerWaalsContact CG-CB 3.44Å; D315-Y318 PolarHBondContact O-N 2.57Å; D315-Y318 PolarHBondContact OD1-N 3.48Å; D315-M319 WeakPolarHBondContact O-CG 3.38Å; D315-M319 PolarHBondContact O-N 2.76Å
316	Y	98.7	Very high	98.4	Very high	21 Å²	21	60.4 Å²	60.4	8%	0.082	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-27.5	179.4	-50.2	-80.5	0	0	0	112.5	I163 E167 H170 M246 P314 R320	I163-Y316 HydrophobicContact CG2-CD1 4.15Å; E167-Y316 HydrophobicContact CB-CD1 3.7Å; E167-Y316 HydrophobicContact CB-CD2 4.14Å; E167-Y316 HydrophobicContact CB-CE1 3.98Å; E167-Y316 HydrophobicContact CB-CE2 4.41Å; E167-Y316 HydrophobicContact CB-CG 3.79Å; E167-Y316 HydrophobicContact CG-CD1 4.08Å; E167-Y316 HydrophobicContact CG-CD2 3.55Å; E167-Y316 HydrophobicContact CG-CE1 4.36Å; E167-Y316 HydrophobicContact CG-CE2 3.88Å; E167-Y316 HydrophobicContact CG-CG 3.66Å; E167-Y316 WeakPolarHBondContact OE1-CB 3.1Å; E167-Y316 VanDerWaalsContact OE1-CD2 3.32Å; E167-Y316 WeakPolarHBondContact OE1-CD2 3.31Å; H170-Y316 VanDerWaalsContact CB-OH 3.27Å; H170-Y316 WeakPolarHBondContact CB-OH 3.37Å; H170-Y316 AromaticContact ND1-CE1 3.64Å; H170-Y316 AromaticContact ND1-CZ 3.6Å; H170-Y316 PolarHBondContact ND1-OH 2.96Å; M246-Y316 HydrophobicContact CE-CD1 4.17Å; M246-Y316 HydrophobicContact CE-CE1 4.41Å; M246-Y316 HydrophobicContact SD-CD1 4.31Å; M246-Y316 HydrophobicContact SD-CE1 3.94Å; P314-Y316 VanDerWaalsContact C-N 3.33Å; P314-Y316 HydrophobicContact CB-CD1 4.23Å; P314-Y316 HydrophobicContact CB-CE1 3.86Å; P314-Y316 HydrophobicContact CB-CE2 4.47Å; P314-Y316 HydrophobicContact CG-CE1 4.01Å; P314-Y316 WeakPolarHBondContact O-CD2 3.4Å; P314-Y316 VanDerWaalsContact O-CE2 3.23Å; P314-Y316 WeakPolarHBondContact O-CE2 3.32Å; P314-Y316 PolarHBondContact O-N 2.93Å; Y316-R320 WeakPolarHBondContact O-CB 3.49Å; Y316-R320 WeakPolarHBondContact O-CG 3.35Å; Y316-R320 PolarHBondContact O-N 3.41Å; Y316-R320 PolarHBondContact O-NE 3.08Å
317	M	98.4	Very high	98.5	Very high	93 Å²	93	58.1 Å²	58.1	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-70.4	-49	177.9	-176.1	62.3	85.2	0	0	110	D315 M319 R320 Q321	D315-M317 PolarHBondContact O-N 2.86Å; D315-M317 WeakPolarHBondContact OD1-CB 3.36Å; D315-M317 PolarHBondContact OD1-N 2.57Å; D315-M317 VanDerWaalsContact OD1-N 3.07Å; M317-M319 VanDerWaalsContact C-N 3.34Å; M317-M319 PolarHBondContact O-N 2.88Å; M317-R320 PolarHBondContact O-N 2.9Å; M317-Q321 HydrophobicContact CG-CG 4.4Å; M317-Q321 WeakPolarHBondContact O-CB 3.24Å; M317-Q321 VanDerWaalsContact O-CG 3.29Å; M317-Q321 WeakPolarHBondContact O-CG 3.29Å; M317-Q321 PolarHBondContact O-N 3.29Å; M317-Q321 HydrophobicContact SD-CG 4.38Å
318	Y	98.5	Very high	98.4	Very high	80 Å²	80	61 Å²	61	31%	0.314	28%	0.277	S	S	.	.	H	α-helix	trans	-54.3	-49.8	172.7	167	-107.4	0	0	0	111.5	Y304 D315 R320 Q321 L322	Y304-Y318 AromaticContact CD2-CD1 3.87Å; Y304-Y318 HydrophobicContact CD2-CD1 3.87Å; Y304-Y318 AromaticContact CD2-CE1 3.5Å; Y304-Y318 HydrophobicContact CD2-CE1 3.5Å; Y304-Y318 VanDerWaalsContact CD2-CE1 3.5Å; Y304-Y318 AromaticContact CE2-CD1 3.83Å; Y304-Y318 HydrophobicContact CE2-CD1 3.83Å; Y304-Y318 AromaticContact CE2-CE1 3.93Å; Y304-Y318 HydrophobicContact CE2-CE1 3.93Å; Y304-Y318 HydrophobicContact CG-CD1 4.38Å; Y304-Y318 AromaticContact CG-CE1 3.98Å; Y304-Y318 HydrophobicContact CG-CE1 3.98Å; D315-Y318 VanDerWaalsContact CG-CB 3.44Å; D315-Y318 PolarHBondContact O-N 2.57Å; D315-Y318 PolarHBondContact OD1-N 3.48Å; Y318-R320 VanDerWaalsContact C-N 3.34Å; Y318-R320 PolarHBondContact O-N 3.39Å; Y318-Q321 WeakPolarHBondContact O-CB 3.44Å; Y318-Q321 PolarHBondContact O-N 3.33Å; Y318-L322 HydrophobicContact CD1-CD1 4.43Å; Y318-L322 HydrophobicContact CE1-CD1 3.76Å; Y318-L322 HydrophobicContact CE1-CG 4.26Å; Y318-L322 HydrophobicContact CE2-CD1 4.39Å; Y318-L322 HydrophobicContact CE2-CD2 3.87Å; Y318-L322 HydrophobicContact CE2-CG 4.04Å; Y318-L322 PolarHBondContact O-N 3.28Å
319	M	98.6	Very high	98.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-42.5	179.2	-69.4	178.4	164.3	0	0	113	I163 M246 Y301 Y304 C305 P314 D315 M317 F323	I163-M319 HydrophobicContact CD1-CB 3.95Å; M246-M319 HydrophobicContact CB-CE 4.05Å; M246-M319 HydrophobicContact CE-CE 4.18Å; M246-M319 HydrophobicContact CE-SD 3.33Å; M246-M319 WeakPolarHBondContact CE-SD 3.14Å; M246-M319 HydrophobicContact CG-CE 4.15Å; M246-M319 HydrophobicContact CG-SD 4.43Å; Y301-M319 HydrophobicContact CD2-CB 4.21Å; Y301-M319 HydrophobicContact CD2-CG 4.16Å; Y301-M319 HydrophobicContact CD2-SD 4.48Å; Y301-M319 HydrophobicContact CE2-CB 4.09Å; Y301-M319 HydrophobicContact CE2-CE 4.29Å; Y301-M319 HydrophobicContact CE2-CG 4.03Å; Y301-M319 HydrophobicContact CE2-SD 3.81Å; Y304-M319 HydrophobicContact CD1-CE 3.31Å; Y304-M319 HydrophobicContact CD1-CG 4.44Å; Y304-M319 HydrophobicContact CE1-CE 3.44Å; Y304-M319 VanDerWaalsContact CE1-CE 3.44Å; Y304-M319 HydrophobicContact CE1-CG 4.49Å; C305-M319 WeakPolarHBondContact SG-CE 3.15Å; P314-M319 HydrophobicContact CB-CE 4.05Å; P314-M319 HydrophobicContact CB-SD 4.38Å; D315-M319 WeakPolarHBondContact O-CG 3.38Å; D315-M319 PolarHBondContact O-N 2.76Å; M317-M319 VanDerWaalsContact C-N 3.34Å; M317-M319 PolarHBondContact O-N 2.88Å; M319-F323 WeakPolarHBondContact O-CD2 3.14Å
320	R	98.6	Very high	98.4	Very high	26 Å²	26	60.6 Å²	60.6	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-40.7	173.8	-78.9	-177.5	-73	-109.1	0.7	111.8	I163 E167 Y316 M317 Y318 L322 F323 R324	I163-R320 HydrophobicContact CB-CG 4.03Å; I163-R320 HydrophobicContact CD1-CG 3.89Å; I163-R320 HydrophobicContact CG2-CG 3.85Å; E167-R320 IonicContact OE1-NH2 2.8Å; E167-R320 PolarHBondContact OE1-NH2 3.38Å; E167-R320 VanDerWaalsContact OE1-NH2 3.15Å; E167-R320 IonicContact OE2-CZ 2.78Å; E167-R320 VanDerWaalsContact OE2-CZ 3.26Å; E167-R320 IonicContact OE2-NH1 2.76Å; E167-R320 PolarHBondContact OE2-NH1 2.99Å; E167-R320 IonicContact OE2-NH2 3.45Å; E167-R320 PolarHBondContact OE2-NH2 3.41Å; Y316-R320 WeakPolarHBondContact O-CB 3.49Å; Y316-R320 WeakPolarHBondContact O-CG 3.35Å; Y316-R320 PolarHBondContact O-N 3.41Å; Y316-R320 PolarHBondContact O-NE 3.08Å; M317-R320 PolarHBondContact O-N 2.9Å; Y318-R320 VanDerWaalsContact C-N 3.34Å; Y318-R320 PolarHBondContact O-N 3.39Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 3.12Å; R320-F323 PolarHBondContact O-N 3.39Å; R320-R324 WeakPolarHBondContact O-CB 3.42Å; R320-R324 VanDerWaalsContact O-CG 3.26Å; R320-R324 WeakPolarHBondContact O-CG 3.43Å; R320-R324 PolarHBondContact O-N 2.88Å
321	Q	98.3	Very high	98.3	Very high	95 Å²	95	64.8 Å²	64.8	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-39.2	-179.2	-77.6	-178	13.8	0	0	112	M317 Y318 F323 R324 I325	M317-Q321 HydrophobicContact CG-CG 4.4Å; M317-Q321 WeakPolarHBondContact O-CB 3.24Å; M317-Q321 VanDerWaalsContact O-CG 3.29Å; M317-Q321 WeakPolarHBondContact O-CG 3.29Å; M317-Q321 PolarHBondContact O-N 3.29Å; M317-Q321 HydrophobicContact SD-CG 4.38Å; Y318-Q321 WeakPolarHBondContact O-CB 3.44Å; Y318-Q321 PolarHBondContact O-N 3.33Å; Q321-F323 VanDerWaalsContact C-N 3.35Å; Q321-F323 PolarHBondContact O-N 3.22Å; Q321-R324 PolarHBondContact O-N 3.39Å; Q321-I325 WeakPolarHBondContact O-CB 3.13Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.39Å; Q321-I325 PolarHBondContact O-N 3.16Å
322	L	98.3	Very high	98.3	Very high	19 Å²	19	61.8 Å²	61.8	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-48.8	-56.5	172.4	-71.8	176.7	0	0	0	111.1	E297 M300 Y318 R320 L326	E297-L322 HydrophobicContact CB-CB 4.41Å; E297-L322 HydrophobicContact CG-CB 4.43Å; M300-L322 HydrophobicContact CB-CD1 4.25Å; M300-L322 HydrophobicContact SD-CD2 4.11Å; Y318-L322 HydrophobicContact CD1-CD1 4.43Å; Y318-L322 HydrophobicContact CE1-CD1 3.76Å; Y318-L322 HydrophobicContact CE1-CG 4.26Å; Y318-L322 HydrophobicContact CE2-CD1 4.39Å; Y318-L322 HydrophobicContact CE2-CD2 3.87Å; Y318-L322 HydrophobicContact CE2-CG 4.04Å; Y318-L322 PolarHBondContact O-N 3.28Å; R320-L322 VanDerWaalsContact C-N 3.33Å; R320-L322 PolarHBondContact O-N 3.12Å; L322-L326 PolarHBondContact O-N 3.38Å
323	F	98.6	Very high	98.1	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.022	33%	0.326	C	S	.	.	H	α-helix	trans	-73	-33.3	-177.8	-63.7	-51.8	0	0	0	113.4	L156 A159 I163 L253 E297 F298 Y301 M319 R320 Q321 F327	L156-F323 HydrophobicContact CD2-CB 3.82Å; L156-F323 HydrophobicContact CD2-CD1 3.47Å; L156-F323 VanDerWaalsContact CD2-CD1 3.47Å; L156-F323 HydrophobicContact CD2-CE1 4.37Å; L156-F323 HydrophobicContact CD2-CG 3.95Å; A159-F323 HydrophobicContact CB-CD2 3.86Å; A159-F323 HydrophobicContact CB-CE2 4.2Å; A159-F323 HydrophobicContact CB-CG 4.27Å; I163-F323 HydrophobicContact CD1-CD2 4.17Å; I163-F323 HydrophobicContact CD1-CE2 4.39Å; L253-F323 HydrophobicContact CD1-CE2 3.82Å; L253-F323 HydrophobicContact CD1-CZ 3.73Å; E297-F323 HydrophobicContact CB-CD1 4.4Å; E297-F323 HydrophobicContact CB-CE1 4.35Å; F298-F323 AromaticContact CD1-CE1 3.88Å; F298-F323 HydrophobicContact CD1-CE1 3.88Å; F298-F323 HydrophobicContact CD1-CZ 4.26Å; F298-F323 AromaticContact CE1-CE1 3.87Å; F298-F323 HydrophobicContact CE1-CE1 3.87Å; F298-F323 HydrophobicContact CE1-CZ 4.4Å; F298-F323 HydrophobicContact CG-CE1 4.26Å; F298-F323 HydrophobicContact CZ-CE1 4.23Å; Y301-F323 AromaticContact CD2-CE2 3.56Å; Y301-F323 HydrophobicContact CD2-CE2 3.56Å; Y301-F323 AromaticContact CD2-CZ 3.91Å; Y301-F323 HydrophobicContact CD2-CZ 3.91Å; Y301-F323 HydrophobicContact CE2-CE2 4.08Å; Y301-F323 HydrophobicContact CG-CE2 4.09Å; Y301-F323 AromaticContact CG-CZ 3.94Å; Y301-F323 HydrophobicContact CG-CZ 3.94Å; M319-F323 WeakPolarHBondContact O-CD2 3.14Å; R320-F323 PolarHBondContact O-N 3.39Å; Q321-F323 VanDerWaalsContact C-N 3.35Å; Q321-F323 PolarHBondContact O-N 3.22Å; F323-F327 VanDerWaalsContact O-CB 3.24Å; F323-F327 WeakPolarHBondContact O-CB 3.42Å; F323-F327 PolarHBondContact O-N 3.43Å
324	R	98.3	Very high	97.9	Very high	107 Å²	107	66.4 Å²	66.4	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-68.2	-39	177	-75.1	175.7	179.4	-166.8	-3.6	112.7	D160 R320 Q321 F327 R328	D160-R324 IonicContact OD1-CZ 2.63Å; D160-R324 IonicContact OD1-NE 3.94Å; D160-R324 PolarHBondContact OD1-NE 3.22Å; D160-R324 IonicContact OD1-NH2 3.08Å; D160-R324 PolarHBondContact OD1-NH2 3.03Å; D160-R324 IonicContact OD2-NH2 3.15Å; D160-R324 PolarHBondContact OD2-NH2 2.91Å; R320-R324 WeakPolarHBondContact O-CB 3.42Å; R320-R324 VanDerWaalsContact O-CG 3.26Å; R320-R324 WeakPolarHBondContact O-CG 3.43Å; R320-R324 PolarHBondContact O-N 2.88Å; Q321-R324 PolarHBondContact O-N 3.39Å; R324-F327 PolarHBondContact O-N 2.98Å; R324-R328 WeakPolarHBondContact O-CG 3.3Å; R324-R328 PolarHBondContact O-N 3.3Å; R324-R328 VanDerWaalsContact O-N 3.14Å
325	I	98.2	Very high	97.8	Very high	98 Å²	98	69.7 Å²	69.7	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-65.1	-51.2	175.8	-69.3	166.8	0	0	0	108.8	Q321 F327 R328 T329	Q321-I325 WeakPolarHBondContact O-CB 3.13Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.39Å; Q321-I325 PolarHBondContact O-N 3.16Å; I325-F327 VanDerWaalsContact C-N 3.28Å; I325-F327 PolarHBondContact O-N 3.5Å; I325-R328 PolarHBondContact O-N 3.21Å; I325-R328 VanDerWaalsContact O-N 3.08Å; I325-T329 PolarHBondContact O-N 2.97Å; I325-T329 PolarHBondContact O-OG1 3.47Å; I325-T329 VanDerWaalsContact O-OG1 3.07Å
326	L	98.3	Very high	97.6	Very high	10 Å²	10	70.7 Å²	70.7	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-53.7	-44.4	174.7	175.8	61.2	0	0	0	112.3	L156 P295 E297 F298 L322 R328 T329 L330	L156-L326 HydrophobicContact CD1-CD2 4.06Å; L156-L326 HydrophobicContact CD1-CG 4Å; L156-L326 HydrophobicContact CD2-CD2 3.84Å; P295-L326 HydrophobicContact CB-CD1 3.81Å; P295-L326 HydrophobicContact CB-CD2 3.49Å; P295-L326 VanDerWaalsContact CB-CD2 3.49Å; P295-L326 HydrophobicContact CB-CG 4.31Å; P295-L326 HydrophobicContact CG-CD1 4.08Å; P295-L326 HydrophobicContact CG-CD2 3.86Å; E297-L326 HydrophobicContact CB-CD2 4.19Å; E297-L326 HydrophobicContact CG-CB 4.14Å; E297-L326 HydrophobicContact CG-CD2 4.26Å; F298-L326 HydrophobicContact CE2-CD2 4.36Å; L322-L326 PolarHBondContact O-N 3.38Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-R328 PolarHBondContact O-N 3.35Å; L326-T329 PolarHBondContact O-N 2.93Å; L326-L330 HydrophobicContact CD1-CD1 3.95Å; L326-L330 HydrophobicContact CD1-CG 4.06Å; L326-L330 HydrophobicContact CG-CD1 4.1Å; L326-L330 WeakPolarHBondContact O-CG 3.2Å; L326-L330 PolarHBondContact O-N 3.39Å
327	F	98.5	Very high	97.5	Very high	13 Å²	13	71.7 Å²	71.7	6%	0.057	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-42.4	178.2	-170.9	-94	0	0	0	112.6	K153 L156 M157 F323 R324 I325 H332 Q333 F334	K153-F327 HydrophobicContact CG-CE2 3.81Å; K153-F327 HydrophobicContact CG-CZ 4.21Å; L156-F327 HydrophobicContact CB-CD2 3.72Å; L156-F327 HydrophobicContact CB-CE2 4.46Å; L156-F327 HydrophobicContact CD1-CB 4.14Å; L156-F327 HydrophobicContact CD1-CD2 4.03Å; M157-F327 HydrophobicContact CG-CE2 3.59Å; M157-F327 HydrophobicContact CG-CZ 3.84Å; M157-F327 HydrophobicContact SD-CE2 4.41Å; M157-F327 HydrophobicContact SD-CZ 4.23Å; F323-F327 VanDerWaalsContact O-CB 3.24Å; F323-F327 WeakPolarHBondContact O-CB 3.42Å; F323-F327 PolarHBondContact O-N 3.43Å; R324-F327 PolarHBondContact O-N 2.98Å; I325-F327 VanDerWaalsContact C-N 3.28Å; I325-F327 PolarHBondContact O-N 3.5Å; F327-H332 HydrophobicContact CD1-CB 3.82Å; F327-H332 HydrophobicContact CD2-CB 3.82Å; F327-H332 VanDerWaalsContact CE1-C 3.42Å; F327-H332 HydrophobicContact CE1-CB 3.53Å; F327-H332 WeakPolarHBondContact CE1-O 3.47Å; F327-H332 HydrophobicContact CE2-CB 3.53Å; F327-H332 HydrophobicContact CG-CB 3.98Å; F327-H332 HydrophobicContact CZ-CB 3.4Å; F327-H332 WeakPolarHBondContact O-CB 3.5Å; F327-H332 PolarHBondContact O-N 2.93Å; F327-H332 VanDerWaalsContact O-N 3.09Å; F327-Q333 VanDerWaalsContact CE1-C 3.5Å; F327-Q333 WeakPolarHBondContact CZ-O 3.27Å; F327-F334 HydrophobicContact CE1-CB 4.1Å; F327-F334 HydrophobicContact CE1-CD2 4.28Å; F327-F334 HydrophobicContact CZ-CB 4.4Å; F327-F334 HydrophobicContact CZ-CD2 4.22Å
328	R	97.9	Very high	97.4	Very high	192 Å²	192	67.3 Å²	67.3	73%	0.725	32%	0.321	S	S	*	.	H	α-helix	trans	-71	-40.2	176	-68.6	176.4	-173.3	-178.5	1.1	112.1	R324 I325 L326 L330 S331	R324-R328 WeakPolarHBondContact O-CG 3.3Å; R324-R328 PolarHBondContact O-N 3.3Å; R324-R328 VanDerWaalsContact O-N 3.14Å; I325-R328 PolarHBondContact O-N 3.21Å; I325-R328 VanDerWaalsContact O-N 3.08Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-R328 PolarHBondContact O-N 3.35Å; R328-L330 VanDerWaalsContact C-N 3.25Å; R328-L330 PolarHBondContact O-N 3.44Å; R328-S331 WeakPolarHBondContact O-CA 3.43Å; R328-S331 PolarHBondContact O-N 3.42Å
329	T	98	Very high	97.4	Very high	103 Å²	103	64.4 Å²	64.4	63%	0.632	31%	0.311	S	S	*	.	H	α-helix	trans	-60	-37.5	176.4	-58.3	0	0	0	0	111.5	I325 L326 S331	I325-T329 PolarHBondContact O-N 2.97Å; I325-T329 PolarHBondContact O-OG1 3.47Å; I325-T329 VanDerWaalsContact O-OG1 3.07Å; L326-T329 PolarHBondContact O-N 2.93Å; T329-S331 PolarHBondContact O-N 3.45Å
330	L	97.7	Very high	97.3	Very high	71 Å²	71	64.8 Å²	64.8	37%	0.372	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	8.2	173.3	-63.1	175.4	0	0	0	113.6	M152 L156 L326 R328 H332	M152-L330 HydrophobicContact CB-CD1 4.5Å; M152-L330 HydrophobicContact CG-CD1 3.6Å; L156-L330 HydrophobicContact CD1-CD1 4.16Å; L326-L330 HydrophobicContact CD1-CD1 3.95Å; L326-L330 HydrophobicContact CD1-CG 4.06Å; L326-L330 HydrophobicContact CG-CD1 4.1Å; L326-L330 WeakPolarHBondContact O-CG 3.2Å; L326-L330 PolarHBondContact O-N 3.39Å; R328-L330 VanDerWaalsContact C-N 3.25Å; R328-L330 PolarHBondContact O-N 3.44Å; L330-H332 PolarHBondContact O-N 2.89Å; L330-H332 VanDerWaalsContact O-N 3.17Å; L330-H332 PolarHBondContact O-ND1 2.86Å
331	S	97.6	Very high	97	Very high	104 Å²	104	66 Å²	66	73%	0.727	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	31.7	180	-59.3	0	0	0	0	113.7	R328 T329	R328-S331 WeakPolarHBondContact O-CA 3.43Å; R328-S331 PolarHBondContact O-N 3.42Å; T329-S331 PolarHBondContact O-N 3.45Å
332	H	97.4	Very high	96.7	Very high	55 Å²	55	65.6 Å²	65.6	26%	0.255	32%	0.324	S	S	.	.			trans	-83.5	146.5	175.8	-63.8	-24.6	0	0	0	111.3	K153 F327 L330	K153-H332 HydrophobicContact CG-CB 4.16Å; F327-H332 HydrophobicContact CD1-CB 3.82Å; F327-H332 HydrophobicContact CD2-CB 3.82Å; F327-H332 VanDerWaalsContact CE1-C 3.42Å; F327-H332 HydrophobicContact CE1-CB 3.53Å; F327-H332 WeakPolarHBondContact CE1-O 3.47Å; F327-H332 HydrophobicContact CE2-CB 3.53Å; F327-H332 HydrophobicContact CG-CB 3.98Å; F327-H332 HydrophobicContact CZ-CB 3.4Å; F327-H332 WeakPolarHBondContact O-CB 3.5Å; F327-H332 PolarHBondContact O-N 2.93Å; F327-H332 VanDerWaalsContact O-N 3.09Å; L330-H332 PolarHBondContact O-N 2.89Å; L330-H332 VanDerWaalsContact O-N 3.17Å; L330-H332 PolarHBondContact O-ND1 2.86Å
333	Q	95.7	Very high	96.3	Very high	143 Å²	143	67.8 Å²	67.8	67%	0.668	34%	0.335	S	S	*	.			trans	-103.8	138.8	172.5	-65.9	-66.8	-15.6	0	0	109.9	K153 F327 D335	K153-Q333 VanDerWaalsContact CE-O 3.31Å; K153-Q333 WeakPolarHBondContact CE-O 3.49Å; F327-Q333 VanDerWaalsContact CE1-C 3.5Å; F327-Q333 WeakPolarHBondContact CZ-O 3.27Å; Q333-D335 PolarHBondContact O-N 2.96Å
334	F	93.7	Very high	95.7	Very high	76 Å²	76	71.5 Å²	71.5	33%	0.333	35%	0.351	S	S	.	.			trans	-82.8	68.6	179.8	-156.5	-83.4	0	0	0	110	M157 D160 F327 Y336	M157-F334 HydrophobicContact CB-CE2 4.04Å; M157-F334 HydrophobicContact CB-CZ 4.41Å; M157-F334 HydrophobicContact CG-CD2 3.84Å; M157-F334 HydrophobicContact CG-CE2 3.75Å; M157-F334 HydrophobicContact CG-CZ 4.39Å; M157-F334 HydrophobicContact SD-CD2 4.44Å; D160-F334 HydrophobicContact CB-CE2 4.37Å; F327-F334 HydrophobicContact CE1-CB 4.1Å; F327-F334 HydrophobicContact CE1-CD2 4.28Å; F327-F334 HydrophobicContact CZ-CB 4.4Å; F327-F334 HydrophobicContact CZ-CD2 4.22Å; F334-Y336 HydrophobicContact CD1-CD1 4.49Å; F334-Y336 HydrophobicContact CD1-CE1 4.06Å; F334-Y336 HydrophobicContact CD1-CE2 4.19Å; F334-Y336 AromaticContact CD1-CZ 3.87Å; F334-Y336 HydrophobicContact CE1-CD1 4Å; F334-Y336 AromaticContact CE1-CE1 3.39Å; F334-Y336 HydrophobicContact CE1-CE1 3.39Å; F334-Y336 HydrophobicContact CE1-CE2 4.31Å; F334-Y336 AromaticContact CE1-CZ 3.55Å; F334-Y336 HydrophobicContact CZ-CE1 4.35Å
335	D	95.4	Very high	95	Very high	73 Å²	73	68.7 Å²	68.7	39%	0.39	35%	0.348	S	S	.	.	S	Bend	trans	-99.2	3.9	-171.9	59.1	14.4	0	0	0	113.5	K153 Q333 T337	K153-D335 VanDerWaalsContact CE-OD1 3.31Å; K153-D335 WeakPolarHBondContact CE-OD1 3.09Å; K153-D335 IonicContact NZ-OD1 2.8Å; K153-D335 PolarHBondContact NZ-OD1 3.24Å; K153-D335 IonicContact NZ-OD2 3.15Å; K153-D335 PolarHBondContact NZ-OD2 3Å; Q333-D335 PolarHBondContact O-N 2.96Å; D335-T337 PolarHBondContact O-N 3.26Å; D335-T337 VanDerWaalsContact O-N 3.14Å; D335-T337 WeakPolarHBondContact OD1-CA 3.37Å; D335-T337 WeakPolarHBondContact OD1-CB 3.27Å; D335-T337 PolarHBondContact OD1-N 3.14Å; D335-T337 PolarHBondContact OD1-OG1 3.4Å
336	Y	95.1	Very high	94.2	Very high	100 Å²	100	70.9 Å²	70.9	39%	0.392	35%	0.354	S	S	.	.			trans	56.8	21.4	-173.8	-53.2	-84	0	0	0	114.5	N193 F334 F338	N193-Y336 HydrophobicContact CB-CD1 3.69Å; N193-Y336 HydrophobicContact CB-CE1 4.41Å; N193-Y336 HydrophobicContact CB-CG 3.86Å; N193-Y336 VanDerWaalsContact CG-CB 3.46Å; N193-Y336 WeakPolarHBondContact ND2-CB 3.27Å; F334-Y336 HydrophobicContact CD1-CD1 4.49Å; F334-Y336 HydrophobicContact CD1-CE1 4.06Å; F334-Y336 HydrophobicContact CD1-CE2 4.19Å; F334-Y336 AromaticContact CD1-CZ 3.87Å; F334-Y336 HydrophobicContact CE1-CD1 4Å; F334-Y336 AromaticContact CE1-CE1 3.39Å; F334-Y336 HydrophobicContact CE1-CE1 3.39Å; F334-Y336 HydrophobicContact CE1-CE2 4.31Å; F334-Y336 AromaticContact CE1-CZ 3.55Å; F334-Y336 HydrophobicContact CZ-CE1 4.35Å; Y336-F338 HydrophobicContact CD1-CE2 4.44Å; Y336-F338 WeakPolarHBondContact O-CD2 3.4Å; Y336-F338 PolarHBondContact O-N 3.03Å
337	T	96.2	Very high	93.3	Very high	43 Å²	43	74.8 Å²	74.8	26%	0.264	38%	0.378	S	S	.	.			trans	-87.5	86.4	172.9	-57.7	0	0	0	0	109.1	D335 L342	D335-T337 PolarHBondContact O-N 3.26Å; D335-T337 VanDerWaalsContact O-N 3.14Å; D335-T337 WeakPolarHBondContact OD1-CA 3.37Å; D335-T337 WeakPolarHBondContact OD1-CB 3.27Å; D335-T337 PolarHBondContact OD1-N 3.14Å; D335-T337 PolarHBondContact OD1-OG1 3.4Å; T337-L342 HydrophobicContact CG2-CD1 4.42Å; T337-L342 HydrophobicContact CG2-CD2 3.51Å; T337-L342 HydrophobicContact CG2-CG 3.8Å
338	F	97	Very high	92.2	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	40%	0.403	C	S	.	.			trans	-78.8	166.3	173.4	-57.3	-83	0	0	0	111.8	T154 M157 L158 M186 Y336 W340 T341 L342	T154-F338 HydrophobicContact CG2-CD1 4.13Å; M157-F338 HydrophobicContact CB-CD1 4.46Å; M157-F338 HydrophobicContact CB-CE1 3.72Å; M157-F338 HydrophobicContact CB-CZ 4.39Å; M157-F338 HydrophobicContact CE-CD1 3.65Å; M157-F338 HydrophobicContact CE-CE1 3.85Å; M157-F338 HydrophobicContact CE-CG 4.17Å; M157-F338 HydrophobicContact CE-CZ 4.5Å; L158-F338 HydrophobicContact CD2-CE1 4.1Å; L158-F338 HydrophobicContact CG-CE1 4.16Å; M186-F338 HydrophobicContact CE-CE2 4Å; M186-F338 HydrophobicContact CE-CZ 4.34Å; Y336-F338 HydrophobicContact CD1-CE2 4.44Å; Y336-F338 WeakPolarHBondContact O-CD2 3.4Å; Y336-F338 PolarHBondContact O-N 3.03Å; F338-W340 VanDerWaalsContact C-N 3.29Å; F338-W340 HydrophobicContact CB-CD2 3.63Å; F338-W340 HydrophobicContact CB-CE3 3.92Å; F338-W340 HydrophobicContact CB-CG 4.29Å; F338-W340 HydrophobicContact CB-CH2 3.65Å; F338-W340 HydrophobicContact CB-CZ2 3.34Å; F338-W340 HydrophobicContact CB-CZ3 3.94Å; F338-W340 AromaticContact CD1-CH2 3.48Å; F338-W340 HydrophobicContact CD1-CH2 3.48Å; F338-W340 VanDerWaalsContact CD1-CH2 3.48Å; F338-W340 AromaticContact CD1-CZ2 3.56Å; F338-W340 HydrophobicContact CD1-CZ2 3.56Å; F338-W340 HydrophobicContact CD1-CZ3 4.3Å; F338-W340 AromaticContact CD2-CE2 3.87Å; F338-W340 HydrophobicContact CD2-CH2 4.27Å; F338-W340 AromaticContact CD2-CZ2 3.48Å; F338-W340 HydrophobicContact CD2-CZ2 3.48Å; F338-W340 VanDerWaalsContact CD2-CZ2 3.48Å; F338-W340 AromaticContact CD2-NE1 3.97Å; F338-W340 HydrophobicContact CE1-CH2 4.15Å; F338-W340 HydrophobicContact CE1-CZ2 4.18Å; F338-W340 HydrophobicContact CE2-CZ2 4.12Å; F338-W340 HydrophobicContact CG-CD2 4.41Å; F338-W340 AromaticContact CG-CE2 3.63Å; F338-W340 AromaticContact CG-CH2 3.55Å; F338-W340 HydrophobicContact CG-CH2 3.55Å; F338-W340 AromaticContact CG-CZ2 3.16Å; F338-W340 HydrophobicContact CG-CZ2 3.16Å; F338-W340 HydrophobicContact CG-CZ3 4.31Å; F338-W340 HydrophobicContact CZ-CZ2 4.43Å; F338-W340 PolarHBondContact O-N 3.29Å; F338-T341 WeakPolarHBondContact O-CA 3.18Å; F338-T341 VanDerWaalsContact O-CB 3.22Å; F338-T341 WeakPolarHBondContact O-CB 3.41Å; F338-T341 PolarHBondContact O-N 2.89Å; F338-L342 PolarHBondContact O-N 2.77Å
339	D	97.5	Very high	90.7	Very high	19 Å²	19	76.3 Å²	76.3	10%	0.102	40%	0.397	C	S	.	.	H	α-helix	trans	-58.9	-40	-177.9	-56.9	-32.4	0	0	0	112.6	F150 T151 T154 T341 L342 L343	F150-D339 WeakPolarHBondContact CA-OD2 3.21Å; F150-D339 HydrophobicContact CD1-CB 4.47Å; T151-D339 WeakPolarHBondContact CB-OD1 3.44Å; T151-D339 WeakPolarHBondContact CG2-OD1 3.44Å; T151-D339 PolarHBondContact N-OD2 3Å; T151-D339 PolarHBondContact OG1-OD1 3.31Å; T151-D339 PolarHBondContact OG1-OD2 2.8Å; T154-D339 WeakPolarHBondContact CB-OD2 3.34Å; T154-D339 PolarHBondContact OG1-N 3.5Å; T154-D339 PolarHBondContact OG1-OD1 3.34Å; T154-D339 PolarHBondContact OG1-OD2 3.18Å; D339-T341 VanDerWaalsContact C-N 3.26Å; D339-T341 PolarHBondContact O-N 3.5Å; D339-L342 PolarHBondContact O-N 2.76Å; D339-L343 PolarHBondContact O-N 2.8Å
340	W	96.4	Very high	89.3	Confident	9 Å²	9	74.6 Å²	74.6	3%	0.034	39%	0.393	C	S	.	.	H	α-helix	trans	-68	-25.3	176	57.2	80.5	0	0	0	113	L139 L142 F145 F150 T154 L158 M186 F338 K344	L139-W340 HydrophobicContact CD2-CH2 4.3Å; L142-W340 HydrophobicContact CB-CD2 4.26Å; L142-W340 HydrophobicContact CB-CE3 3.87Å; L142-W340 HydrophobicContact CB-CZ3 4.25Å; L142-W340 HydrophobicContact CD1-CD2 3.87Å; L142-W340 HydrophobicContact CD1-CE3 4.06Å; L142-W340 HydrophobicContact CD1-CG 4.49Å; L142-W340 HydrophobicContact CD1-CH2 4.09Å; L142-W340 HydrophobicContact CD1-CZ2 3.89Å; L142-W340 HydrophobicContact CD1-CZ3 4.17Å; L142-W340 HydrophobicContact CD2-CB 3.89Å; L142-W340 HydrophobicContact CD2-CD2 3.88Å; L142-W340 HydrophobicContact CD2-CE3 4.35Å; L142-W340 HydrophobicContact CD2-CG 3.68Å; L142-W340 HydrophobicContact CG-CD2 4.22Å; L142-W340 HydrophobicContact CG-CE3 4.32Å; F145-W340 HydrophobicContact CD1-CB 3.88Å; F145-W340 HydrophobicContact CE1-CB 4.06Å; F150-W340 HydrophobicContact CD1-CZ3 4.45Å; F150-W340 AromaticContact CE1-CE3 3.76Å; F150-W340 HydrophobicContact CE1-CE3 3.76Å; F150-W340 AromaticContact CE1-CZ3 3.73Å; F150-W340 HydrophobicContact CE1-CZ3 3.73Å; F150-W340 HydrophobicContact CE2-CZ3 4.29Å; F150-W340 HydrophobicContact CZ-CE3 4.03Å; F150-W340 AromaticContact CZ-CZ3 3.64Å; F150-W340 HydrophobicContact CZ-CZ3 3.64Å; T154-W340 HydrophobicContact CG2-CH2 4.17Å; T154-W340 HydrophobicContact CG2-CZ3 3.69Å; L158-W340 HydrophobicContact CD1-CH2 4.05Å; L158-W340 HydrophobicContact CD1-CZ3 4.3Å; L158-W340 HydrophobicContact CD2-CH2 4.07Å; L158-W340 HydrophobicContact CG-CH2 4.31Å; M186-W340 HydrophobicContact CE-CZ2 4.2Å; M186-W340 HydrophobicContact CG-CZ2 4.17Å; M186-W340 HydrophobicContact SD-CZ2 4.08Å; F338-W340 VanDerWaalsContact C-N 3.29Å; F338-W340 HydrophobicContact CB-CD2 3.63Å; F338-W340 HydrophobicContact CB-CE3 3.92Å; F338-W340 HydrophobicContact CB-CG 4.29Å; F338-W340 HydrophobicContact CB-CH2 3.65Å; F338-W340 HydrophobicContact CB-CZ2 3.34Å; F338-W340 HydrophobicContact CB-CZ3 3.94Å; F338-W340 AromaticContact CD1-CH2 3.48Å; F338-W340 HydrophobicContact CD1-CH2 3.48Å; F338-W340 VanDerWaalsContact CD1-CH2 3.48Å; F338-W340 AromaticContact CD1-CZ2 3.56Å; F338-W340 HydrophobicContact CD1-CZ2 3.56Å; F338-W340 HydrophobicContact CD1-CZ3 4.3Å; F338-W340 AromaticContact CD2-CE2 3.87Å; F338-W340 HydrophobicContact CD2-CH2 4.27Å; F338-W340 AromaticContact CD2-CZ2 3.48Å; F338-W340 HydrophobicContact CD2-CZ2 3.48Å; F338-W340 VanDerWaalsContact CD2-CZ2 3.48Å; F338-W340 AromaticContact CD2-NE1 3.97Å; F338-W340 HydrophobicContact CE1-CH2 4.15Å; F338-W340 HydrophobicContact CE1-CZ2 4.18Å; F338-W340 HydrophobicContact CE2-CZ2 4.12Å; F338-W340 HydrophobicContact CG-CD2 4.41Å; F338-W340 AromaticContact CG-CE2 3.63Å; F338-W340 AromaticContact CG-CH2 3.55Å; F338-W340 HydrophobicContact CG-CH2 3.55Å; F338-W340 AromaticContact CG-CZ2 3.16Å; F338-W340 HydrophobicContact CG-CZ2 3.16Å; F338-W340 HydrophobicContact CG-CZ3 4.31Å; F338-W340 HydrophobicContact CZ-CZ2 4.43Å; F338-W340 PolarHBondContact O-N 3.29Å; W340-K344 WeakPolarHBondContact O-CB 3.39Å; W340-K344 VanDerWaalsContact O-CG 3.24Å; W340-K344 WeakPolarHBondContact O-CG 3.38Å; W340-K344 PolarHBondContact O-N 3.46Å; W340-K344 VanDerWaalsContact O-N 3.07Å
341	T	93.6	Very high	87.5	Confident	51 Å²	51	74 Å²	74	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-42.4	174.7	-55	0	0	0	0	109.9	F338 D339 S345	F338-T341 WeakPolarHBondContact O-CA 3.18Å; F338-T341 VanDerWaalsContact O-CB 3.22Å; F338-T341 WeakPolarHBondContact O-CB 3.41Å; F338-T341 PolarHBondContact O-N 2.89Å; D339-T341 VanDerWaalsContact C-N 3.26Å; D339-T341 PolarHBondContact O-N 3.5Å; T341-S345 PolarHBondContact O-N 3.22Å; T341-S345 VanDerWaalsContact O-N 3.16Å
342	L	90.8	Very high	85.6	Confident	86 Å²	86	72.9 Å²	72.9	45%	0.45	40%	0.397	S	S	.	.	H	α-helix	trans	-69.1	-38.1	177.3	-62.7	174.6	0	0	0	112.7	T337 F338 D339 S345 K346	T337-L342 HydrophobicContact CG2-CD1 4.42Å; T337-L342 HydrophobicContact CG2-CD2 3.51Å; T337-L342 HydrophobicContact CG2-CG 3.8Å; F338-L342 PolarHBondContact O-N 2.77Å; D339-L342 PolarHBondContact O-N 2.76Å; L342-S345 PolarHBondContact O-OG 3.06Å; L342-K346 WeakPolarHBondContact O-CG 3.49Å; L342-K346 PolarHBondContact O-N 3.12Å
343	L	90.3	Very high	83.5	Confident	65 Å²	65	74.6 Å²	74.6	34%	0.34	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-43.3	176.6	-72.4	173	0	0	0	111.3	F145 C146 D339 S345 K346 T347	F145-L343 HydrophobicContact CD1-CD1 4.2Å; F145-L343 HydrophobicContact CE1-CB 3.7Å; F145-L343 HydrophobicContact CE1-CD1 4.05Å; F145-L343 HydrophobicContact CZ-CB 4.12Å; C146-L343 HydrophobicContact CB-CD1 4.22Å; D339-L343 PolarHBondContact O-N 2.8Å; L343-S345 VanDerWaalsContact C-N 3.35Å; L343-S345 PolarHBondContact O-N 3.2Å; L343-K346 PolarHBondContact O-N 3.1Å; L343-T347 PolarHBondContact O-N 2.8Å; L343-T347 PolarHBondContact O-OG1 3.31Å; L343-T347 VanDerWaalsContact O-OG1 3.05Å
344	K	87	Confident	81	Confident	83 Å²	83	70.9 Å²	70.9	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-40.5	176.7	-75	174.9	-178.2	-177.2	0	112.5	F145 W340 T347 N348	F145-K344 HydrophobicContact CE1-CG 4.33Å; F145-K344 HydrophobicContact CZ-CG 4.29Å; W340-K344 WeakPolarHBondContact O-CB 3.39Å; W340-K344 VanDerWaalsContact O-CG 3.24Å; W340-K344 WeakPolarHBondContact O-CG 3.38Å; W340-K344 PolarHBondContact O-N 3.46Å; W340-K344 VanDerWaalsContact O-N 3.07Å; K344-T347 PolarHBondContact O-N 3.02Å; K344-N348 WeakPolarHBondContact O-CB 3.31Å; K344-N348 VanDerWaalsContact O-CG 3.26Å; K344-N348 PolarHBondContact O-N 2.7Å
345	S	83	Confident	78.6	Confident	49 Å²	49	71.2 Å²	71.2	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-66.2	-39.7	177.7	64.3	0	0	0	0	112	T341 L342 L343 N348 Q349	T341-S345 PolarHBondContact O-N 3.22Å; T341-S345 VanDerWaalsContact O-N 3.16Å; L342-S345 PolarHBondContact O-OG 3.06Å; L343-S345 VanDerWaalsContact C-N 3.35Å; L343-S345 PolarHBondContact O-N 3.2Å; S345-N348 PolarHBondContact O-N 2.87Å; S345-Q349 WeakPolarHBondContact O-CG 3.3Å; S345-Q349 PolarHBondContact O-N 3.05Å
346	K	81.2	Confident	75.8	Confident	144 Å²	144	73.9 Å²	73.9	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-64.5	-43.8	174.8	-72.7	-178.7	179.1	-174.2	0	112.7	L342 L343 N348 Q349 A350	L342-K346 WeakPolarHBondContact O-CG 3.49Å; L342-K346 PolarHBondContact O-N 3.12Å; L343-K346 PolarHBondContact O-N 3.1Å; K346-N348 VanDerWaalsContact C-N 3.32Å; K346-N348 PolarHBondContact O-N 2.64Å; K346-Q349 PolarHBondContact O-N 3.49Å; K346-A350 WeakPolarHBondContact O-CB 3.41Å; K346-A350 PolarHBondContact O-N 3.22Å
347	T	80.5	Confident	73	Confident	91 Å²	91	75.2 Å²	75.2	56%	0.558	47%	0.468	S	S	*	.	H	α-helix	trans	-62.6	-40.4	176.9	-53.8	0	0	0	0	111.6	L343 K344 A350 G351	L343-T347 PolarHBondContact O-N 2.8Å; L343-T347 PolarHBondContact O-OG1 3.31Å; L343-T347 VanDerWaalsContact O-OG1 3.05Å; K344-T347 PolarHBondContact O-N 3.02Å; T347-A350 PolarHBondContact O-N 2.84Å; T347-G351 PolarHBondContact O-N 2.85Å
348	N	74.4	Confident	69.9	Low	107 Å²	107	78 Å²	78	57%	0.572	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-38	177.5	-71.3	-8.7	0	0	0	112.5	K344 S345 K346 G351 S352	K344-N348 WeakPolarHBondContact O-CB 3.31Å; K344-N348 VanDerWaalsContact O-CG 3.26Å; K344-N348 PolarHBondContact O-N 2.7Å; S345-N348 PolarHBondContact O-N 2.87Å; K346-N348 VanDerWaalsContact C-N 3.32Å; K346-N348 PolarHBondContact O-N 2.64Å; N348-G351 PolarHBondContact O-N 3.44Å; N348-S352 PolarHBondContact O-N 2.81Å; N348-S352 PolarHBondContact O-OG 3.13Å
349	Q	67.4	Low	66.9	Low	130 Å²	130	87.8 Å²	87.8	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-69.5	-38.7	176.4	-72.8	177.6	23.5	0	0	112.6	S345 K346 G351 S352 S353	S345-Q349 WeakPolarHBondContact O-CG 3.3Å; S345-Q349 PolarHBondContact O-N 3.05Å; K346-Q349 PolarHBondContact O-N 3.49Å; Q349-G351 VanDerWaalsContact C-N 3.33Å; Q349-S352 PolarHBondContact O-N 3.2Å; Q349-S352 PolarHBondContact O-OG 3.29Å; Q349-S352 VanDerWaalsContact O-OG 3.1Å; Q349-S353 PolarHBondContact O-N 2.84Å; Q349-S353 PolarHBondContact O-OG 3.37Å
350	A	67.2	Low	64	Low	67 Å²	67	90.5 Å²	90.5	55%	0.554	56%	0.561	S	S	*	*	H	α-helix	trans	-66.6	-35.7	175.3	0	0	0	0	0	112	K346 T347	K346-A350 WeakPolarHBondContact O-CB 3.41Å; K346-A350 PolarHBondContact O-N 3.22Å; T347-A350 PolarHBondContact O-N 2.84Å
351	G	61.3	Low	61	Low	58 Å²	58	97.3 Å²	97.3	60%	0.598	60%	0.598	S	S	*	*	H	α-helix	trans	-68.9	-29.3	175.3	0	0	0	0	0	114.2	T347 N348 Q349	T347-G351 PolarHBondContact O-N 2.85Å; N348-G351 PolarHBondContact O-N 3.44Å; Q349-G351 VanDerWaalsContact C-N 3.33Å
352	S	56.8	Low	58.3	Low	82 Å²	82	102.2 Å²	102.2	57%	0.573	63%	0.627	S	S	*	*	H	α-helix	trans	-87.1	-21.4	179	60	0	0	0	0	114.2	N348 Q349	N348-S352 PolarHBondContact O-N 2.81Å; N348-S352 PolarHBondContact O-OG 3.13Å; Q349-S352 PolarHBondContact O-N 3.2Å; Q349-S352 PolarHBondContact O-OG 3.29Å; Q349-S352 VanDerWaalsContact O-OG 3.1Å
353	S	52.8	Low	55.5	Low	91 Å²	91	103.4 Å²	103.4	64%	0.636	64%	0.643	S	S	*	*	H	α-helix	trans	-89.4	-9.7	179.6	37.8	0	0	0	0	114.4	Q349	Q349-S353 PolarHBondContact O-N 2.84Å; Q349-S353 PolarHBondContact O-OG 3.37Å
354	G	44.6	Very low	53	Low	64 Å²	64	104.7 Å²	104.7	66%	0.66	66%	0.662	S	S	*	*	S	Bend	trans	-89.1	-3.8	173.6	0	0	0	0	0	115.8
355	A	42.8	Very low	50.6	Low	83 Å²	83	109.5 Å²	109.5	69%	0.686	69%	0.686	S	S	*	*	S	Bend	trans	-100	9.2	-175.2	0	0	0	0	0	114.4
356	V	36.2	Very low	48.4	Very low	129 Å²	129	114.3 Å²	114.3	78%	0.782	71%	0.714	S	S	*	*			trans	-110	72.7	176.4	-167.9	0	0	0	0	108.9
357	V	35.8	Very low	46.3	Very low	128 Å²	128	112.3 Å²	112.3	78%	0.776	72%	0.718	S	S	*	*			trans	-120.4	121.3	158.7	-179	0	0	0	0	107
358	S	32.5	Very low	44.4	Very low	103 Å²	103	116.3 Å²	116.3	72%	0.72	73%	0.73	S	S	*	*			trans	-57.4	122.5	-173.3	48.2	0	0	0	0	113.9
359	H	34	Very low	42.8	Very low	204 Å²	204	118.4 Å²	118.4	94%	0.944	74%	0.738	S	S	*	*			trans	-92.8	94.5	149.5	-94.3	-60.1	0	0	0	108.1
360	A	36.4	Very low	41.6	Very low	77 Å²	77	120 Å²	120	64%	0.636	75%	0.746	S	S	*	*			trans	-146.3	134.2	161.5	0	0	0	0	0	107.9
361	D	33.1	Very low	40.5	Very low	152 Å²	152	125.2 Å²	125.2	81%	0.813	76%	0.759	S	S	*	*			trans	71.2	92.7	167.8	-56.5	-28.3	0	0	0	119.1
362	V	35.6	Very low	39.6	Very low	154 Å²	154	134 Å²	134	93%	0.933	77%	0.774	S	S	*	*				-149.8	106.3	120.4	-173.3	0	0	0	0	108.4
363	S	33.8	Very low	38.9	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	78%	0.78	S	S	*	*			trans	-135.4	144.9	164	65.2	0	0	0	0	108.7
364	A	36.8	Very low	38.9	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	79%	0.788	S	S	*	*			trans	102.6	137.9	168.8	0	0	0	0	0	117.9
365	Q	37.4	Very low	39.4	Very low	184 Å²	184	143.9 Å²	143.9	86%	0.86	82%	0.82	S	S	*	*			trans	89.8	91.1	161.5	-54.3	-178	2.6	0	0	117.7
366	T	36.8	Very low	39.3	Very low	151 Å²	151	146.9 Å²	146.9	93%	0.926	83%	0.827	S	S	*	*				-161.1	122.1	110.4	-8.5	0	0	0	0	111
367	S	36.1	Very low	39.4	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	83%	0.829	S	S	*	*			trans	-133.4	157.9	170.5	46.1	0	0	0	0	108.6
368	Q	40.8	Very low	39.6	Very low	175 Å²	175	148.9 Å²	148.9	82%	0.818	83%	0.832	S	S	*	*			trans	86.6	136.3	-179.5	-50.8	-177.5	11.2	0	0	113.8
369	M	40.5	Very low	40	Very low	150 Å²	150	151.6 Å²	151.6	74%	0.739	84%	0.839	S	S	*	*			cis	-171.5	170.5	7.9	-132.5	176.5	165.6	0	0	109.2
370	Q	42.6	Very low	40.4	Very low	163 Å²	163	148.4 Å²	148.4	76%	0.762	83%	0.832	S	S	*	*			trans	87.6	94.9	163.9	-66	164.2	7.9	0	0	116.1
371	Q	43.6	Very low	40.7	Very low	177 Å²	177	153.1 Å²	153.1	83%	0.827	85%	0.846	S	S	*	*				61.5	137.7	83.9	-69.3	-177.2	16.6	0	0	113.6
372	R	43.1	Very low	41.2	Very low	242 Å²	242	153.2 Å²	153.2	91%	0.913	85%	0.848	S	S	*	*			cis	-167.2	171.2	-26.6	-118.8	-153.3	-178.1	-163.1	1.8	104.2
373	P	42.7	Very low	41.7	Very low	110 Å²	110	153.2 Å²	153.2	71%	0.714	84%	0.841	S	S	*	*			trans	-114.9	175.4	-145.7	41.3	-29.9	0	0	0	114.6
374	S	51.1	Low	42.3	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	85%	0.847	S	S	*	*			trans	-160.5	133.4	144.5	43.3	0	0	0	0	111.6
375	V	56.4	Low	42.8	Very low	222 Å²	222	162.6 Å²	162.6	100%	1.345	86%	0.855	S	S	*	*			trans	74.6	0	177.5	-162.4	0	0	0	0	117.2

Retrieved 375 of 375 residues in 166.7 ms (Link to these results)

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