A0A077ZAQ9_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZAQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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	42.7	Very low	41.7	Very low	247 Å²	247	140.2 Å²	140.2	100%	1.217	82%	0.822	S	S	*	*				0	140.5	0	-75.9	173.2	173.2	0	0	107.1
2	G	38.2	Very low	41.6	Very low	65 Å²	65	138.4 Å²	138.4	67%	0.67	82%	0.822	S	S	*	*			trans	-56.8	177.8	-163.8	0	0	0	0	0	116
3	D	40.2	Very low	41.7	Very low	165 Å²	165	135.8 Å²	135.8	88%	0.882	82%	0.816	S	S	*	*			cis	-157.1	149.3	22.9	-88	-51.9	0	0	0	111.2
4	T	38.9	Very low	41.4	Very low	125 Å²	125	133.9 Å²	133.9	77%	0.767	81%	0.811	S	S	*	*			trans	-67.2	144.9	160.6	22.7	0	0	0	0	112.7
5	Q	42.6	Very low	41.4	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	82%	0.819	S	S	*	*				169.8	116.8	125.7	-93.6	175.6	34.1	0	0	109.3
6	S	41.8	Very low	41.1	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	82%	0.815	S	S	*	*				95.2	114.1	77.2	-170.7	0	0	0	0	111.7
7	S	40.6	Very low	41.1	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	82%	0.818	S	S	*	*				166.6	115	110.6	48.3	0	0	0	0	114.7
8	K	43.3	Very low	41	Very low	209 Å²	209	135.6 Å²	135.6	91%	0.909	82%	0.821	S	S	*	*			trans	69.5	147.7	135.1	-72.8	-169.3	178.9	-179.7	0	123.5
9	P	49.3	Very low	40.9	Very low	111 Å²	111	137.4 Å²	137.4	72%	0.721	82%	0.819	S	S	*	*			trans	-112.3	176.3	-158.4	39.8	-24.8	0	0	0	113
10	V	40.1	Very low	40.9	Very low	142 Å²	142	136.8 Å²	136.8	86%	0.861	82%	0.819	S	S	*	*			trans	-172.8	125.2	144.6	158.5	0	0	0	0	112.4
11	A	41.5	Very low	40.8	Very low	80 Å²	80	136.1 Å²	136.1	66%	0.661	82%	0.815	S	S	*	*			trans	60.2	124	142.4	0	0	0	0	0	125.7
12	S	40.3	Very low	41	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	80%	0.799	S	S	*	*			trans	72.5	144.1	132.6	79	0	0	0	0	117.8
13	S	42.4	Very low	41.3	Very low	105 Å²	105	137 Å²	137	73%	0.734	81%	0.806	S	S	*	*			cis	-158.9	152.7	17.6	-176.3	0	0	0	0	109.9
14	S	37.5	Very low	41.9	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	80%	0.802	S	S	*	*			trans	-16.4	125	168.6	47.9	0	0	0	0	119.4
15	K	41.6	Very low	42.7	Very low	213 Å²	213	134.4 Å²	134.4	93%	0.926	79%	0.79	S	S	*	*			trans	-85.3	103	156.4	-80.3	-178	174.5	179.6	0	108.7
16	G	36.8	Very low	43.5	Very low	74 Å²	74	129.2 Å²	129.2	76%	0.763	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.3	126.5	166.2	0	0	0	0	0	110.4	M18	G16-M18 PolarHBondContact O-N 3.15Å
17	A	40.8	Very low	44.4	Very low	103 Å²	103	131.1 Å²	131.1	85%	0.851	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.8	122.3	170.8	0	0	0	0	0	109.2
18	M	38.7	Very low	45.4	Very low	177 Å²	177	130.6 Å²	130.6	87%	0.872	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-83.3	116.5	177.2	-147.4	166.3	93.3	0	0	108.4	G16	G16-M18 PolarHBondContact O-N 3.15Å
19	E	40.2	Very low	46.7	Very low	170 Å²	170	125 Å²	125	79%	0.794	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.9	148.9	170.6	-78.4	-175.7	152.7	0	0	111	T21	E19-T21 PolarHBondContact O-N 3.02Å; E19-T21 VanDerWaalsContact O-N 3.17Å
20	P	40.6	Very low	48.2	Very low	124 Å²	124	124.2 Å²	124.2	81%	0.805	72%	0.724	S	S	*	*			trans	-70.7	115.3	179.9	29.6	-31.8	0	0	0	109.6	K22	P20-K22 PolarHBondContact O-N 3.49Å; P20-K22 VanDerWaalsContact O-N 3.14Å
21	T	39.6	Very low	50.5	Low	123 Å²	123	121.1 Å²	121.1	76%	0.755	71%	0.707	S	S	*	*			trans	-59.2	113.8	169.8	31.3	0	0	0	0	109.7	E19 T23	E19-T21 PolarHBondContact O-N 3.02Å; E19-T21 VanDerWaalsContact O-N 3.17Å; T21-T23 PolarHBondContact O-N 3.19Å
22	K	45.7	Very low	52.9	Low	198 Å²	198	117.4 Å²	117.4	86%	0.861	68%	0.676	S	S	*	*			trans	-60.7	107	167.9	-75	178.7	177.5	174.7	0	108.5	P20 V24	P20-K22 PolarHBondContact O-N 3.49Å; P20-K22 VanDerWaalsContact O-N 3.14Å; K22-V24 PolarHBondContact O-N 3.19Å
23	T	44.4	Very low	55.4	Low	134 Å²	134	113.5 Å²	113.5	82%	0.822	64%	0.644	S	S	*	*			trans	-64.2	105.4	170	19.7	0	0	0	0	109.1	T21 I25	T21-T23 PolarHBondContact O-N 3.19Å; T23-I25 PolarHBondContact O-N 3.15Å
24	V	52.3	Low	57.7	Low	132 Å²	132	111.7 Å²	111.7	80%	0.8	62%	0.622	S	S	*	*			trans	-74.2	105.7	173.2	-178.3	0	0	0	0	107.6	K22	K22-V24 PolarHBondContact O-N 3.19Å
25	I	56.5	Low	59.9	Low	103 Å²	103	112 Å²	112	53%	0.528	61%	0.611	S	S	.	*			trans	-64.3	127	171.4	-58.7	168	0	0	0	107.2	T23 E27 D29	T23-I25 PolarHBondContact O-N 3.15Å; I25-E27 PolarHBondContact O-N 3.24Å; I25-D29 HydrophobicContact CG2-CB 3.71Å
26	P	59.3	Low	62.1	Low	77 Å²	77	105.1 Å²	105.1	50%	0.5	58%	0.584	S	S	.	*			trans	-49.4	138.8	174.6	-26.2	34.3	0	0	0	110.4	D28 D29	P26-D28 PolarHBondContact O-N 3.14Å; P26-D29 PolarHBondContact O-N 2.82Å
27	E	61.4	Low	64.3	Low	144 Å²	144	107 Å²	107	67%	0.673	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-55.6	-30.3	-174.6	-171.6	141.9	-116.2	0	0	113.2	I25 D29 K30	I25-E27 PolarHBondContact O-N 3.24Å; E27-D29 VanDerWaalsContact C-N 3.29Å; E27-D29 PolarHBondContact O-N 3.26Å; E27-K30 HydrophobicContact CG-CD 4.32Å; E27-K30 PolarHBondContact O-N 2.87Å; E27-K30 IonicContact OE1-NZ 3.36Å; E27-K30 PolarHBondContact OE1-NZ 3.15Å
28	D	60.5	Low	66.2	Low	96 Å²	96	111 Å²	111	51%	0.513	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-70.5	-16.3	176.9	-69.1	-39.4	0	0	0	115.3	P26 K47	P26-D28 PolarHBondContact O-N 3.14Å; D28-K47 HydrophobicContact CB-CD 4.31Å; D28-K47 WeakPolarHBondContact O-CE 3.46Å; D28-K47 PolarHBondContact O-NZ 2.72Å
29	D	70.7	Confident	68.4	Low	93 Å²	93	104 Å²	104	50%	0.497	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-104.2	0.4	178.9	-78.1	-25.2	0	0	0	112.6	I25 P26 E27	I25-D29 HydrophobicContact CG2-CB 3.71Å; P26-D29 PolarHBondContact O-N 2.82Å; E27-D29 VanDerWaalsContact C-N 3.29Å; E27-D29 PolarHBondContact O-N 3.26Å
30	K	81.9	Confident	70.7	Confident	93 Å²	93	97.8 Å²	97.8	40%	0.404	54%	0.535	S	S	.	.	S	Bend	trans	-65.7	142.6	173	-67.7	177.1	-173.7	167.2	0	110.1	E27 H45	E27-K30 HydrophobicContact CG-CD 4.32Å; E27-K30 PolarHBondContact O-N 2.87Å; E27-K30 IonicContact OE1-NZ 3.36Å; E27-K30 PolarHBondContact OE1-NZ 3.15Å; K30-H45 PolarHBondContact O-CE1 3.42Å
31	P	87.9	Confident	73	Confident	78 Å²	78	94 Å²	94	51%	0.506	51%	0.506	S	S	.	.			trans	-64.8	140.7	179	29	-35.8	0	0	0	111.2	F33 Y34	P31-F33 PolarHBondContact O-N 2.68Å; P31-F33 VanDerWaalsContact O-N 3.16Å; P31-Y34 HydrophobicContact CG-CD1 4.45Å
32	S	92.5	Very high	75.5	Confident	1 Å²	1	90.2 Å²	90.2	1%	0.007	48%	0.481	C	S	.	.	S	Bend	trans	-66.7	-11.5	178.1	63.5	0	0	0	0	114.6	R43 N112 V113	S32-R43 CarbonylContact C-O 3.54Å; S32-R43 VanDerWaalsContact CA-O 3.29Å; S32-R43 WeakPolarHBondContact CA-O 3.48Å; S32-R43 CarbonylContact O-C 3.58Å; S32-R43 WeakPolarHBondContact O-CA 3.4Å; S32-R43 PolarHBondContact O-N 2.82Å; S32-R43 VanDerWaalsContact O-O 3.05Å; S32-N112 VanDerWaalsContact OG-CA 3.32Å; S32-N112 WeakPolarHBondContact OG-CA 3.34Å; S32-V113 WeakPolarHBondContact CB-O 3.32Å; S32-V113 PolarHBondContact OG-N 3.04Å
33	F	92.5	Very high	77.8	Confident	37 Å²	37	88 Å²	88	16%	0.162	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	151.7	169.8	56.8	-85.9	0	0	0	110.2	P31 F40 H41 L42 C99 V110 V113	P31-F33 PolarHBondContact O-N 2.68Å; P31-F33 VanDerWaalsContact O-N 3.16Å; F33-F40 HydrophobicContact CB-CE2 3.91Å; F33-F40 HydrophobicContact CB-CZ 3.76Å; F33-F40 AromaticContact CD2-CE2 3.91Å; F33-F40 HydrophobicContact CD2-CE2 3.91Å; F33-F40 HydrophobicContact CD2-CZ 4.28Å; F33-F40 HydrophobicContact CG-CE2 4.28Å; F33-F40 HydrophobicContact CG-CZ 4.26Å; F33-H41 CarbonylContact C-O 3.18Å; F33-H41 WeakPolarHBondContact CA-O 3.37Å; F33-H41 WeakPolarHBondContact CB-O 3.2Å; F33-L42 HydrophobicContact CB-CD1 4.04Å; F33-C99 HydrophobicContact CB-CB 4.44Å; F33-C99 HydrophobicContact CD1-CB 4.03Å; F33-C99 VanDerWaalsContact CD1-SG 3.57Å; F33-C99 HydrophobicContact CD2-CB 3.92Å; F33-C99 HydrophobicContact CE1-CB 4.29Å; F33-C99 HydrophobicContact CE2-CB 4.14Å; F33-C99 HydrophobicContact CG-CB 3.86Å; F33-C99 HydrophobicContact CZ-CB 4.32Å; F33-V110 HydrophobicContact CE1-CB 4.29Å; F33-V110 HydrophobicContact CE1-CG1 3.89Å; F33-V110 HydrophobicContact CZ-CB 4.17Å; F33-V110 HydrophobicContact CZ-CG1 4.29Å; F33-V110 WeakPolarHBondContact CZ-O 3.39Å; F33-V113 HydrophobicContact CD1-CG2 4.35Å
34	Y	89.4	Confident	80.1	Confident	68 Å²	68	82.6 Å²	82.6	27%	0.267	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	162.8	179.4	60.9	-88	0	0	0	111.2	P31 D36 H41 R43	P31-Y34 HydrophobicContact CG-CD1 4.45Å; Y34-D36 HydrophobicContact CD2-CB 4.33Å; Y34-D36 HydrophobicContact CE2-CB 4.23Å; Y34-H41 HydrophobicContact CD1-CB 4.36Å; Y34-H41 HydrophobicContact CD2-CB 4.44Å; Y34-H41 HydrophobicContact CE1-CB 3.91Å; Y34-H41 HydrophobicContact CE2-CB 4.01Å; Y34-H41 AromaticContact CE2-CD2 3.52Å; Y34-H41 AromaticContact CE2-CG 3.89Å; Y34-H41 AromaticContact CZ-CD2 3.98Å; Y34-H41 AromaticContact CZ-CG 3.86Å; Y34-H41 PolarHBondContact N-O 3.27Å; Y34-H41 PolarHBondContact O-N 3.01Å; Y34-R43 PolarHBondContact OH-NE 2.89Å; Y34-R43 PolarHBondContact OH-NH2 3.1Å; Y34-R43 VanDerWaalsContact OH-NH2 3.09Å
35	H	85.4	Confident	82.2	Confident	114 Å²	114	77.3 Å²	77.3	53%	0.528	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.8	170.4	-77.8	-93.5	0	0	0	109.9	G39 F40 L100	H35-G39 WeakPolarHBondContact CA-O 3.36Å; H35-F40 AromaticContact CD2-CD2 3.75Å; H35-F40 AromaticContact CE1-CD2 3.65Å; H35-F40 AromaticContact NE2-CD2 3.34Å; H35-F40 VanDerWaalsContact NE2-CD2 3.34Å; H35-F40 WeakPolarHBondContact NE2-CD2 3.29Å; H35-L100 WeakPolarHBondContact CE1-CD1 3.5Å
36	D	86.9	Confident	84	Confident	68 Å²	68	78 Å²	78	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-173.9	168.5	70.9	17.2	0	0	0	110.7	Y34 K38 G39 H41	Y34-D36 HydrophobicContact CD2-CB 4.33Å; Y34-D36 HydrophobicContact CE2-CB 4.23Å; D36-K38 PolarHBondContact O-N 3.13Å; D36-K38 VanDerWaalsContact O-N 3.12Å; D36-K38 VanDerWaalsContact OD1-CA 3.3Å; D36-K38 WeakPolarHBondContact OD1-CA 3.48Å; D36-K38 VanDerWaalsContact OD1-CB 3.27Å; D36-K38 WeakPolarHBondContact OD1-CB 3.39Å; D36-K38 PolarHBondContact OD1-N 3.35Å; D36-G39 PolarHBondContact N-O 2.98Å; D36-G39 PolarHBondContact O-N 3.07Å; D36-G39 PolarHBondContact OD1-N 3.18Å; D36-H41 IonicContact OD1-CD2 2.63Å; D36-H41 PolarHBondContact OD1-CD2 2.81Å; D36-H41 IonicContact OD1-CE1 3.76Å; D36-H41 IonicContact OD1-NE2 2.93Å; D36-H41 PolarHBondContact OD1-NE2 3.49Å; D36-H41 IonicContact OD2-CD2 2.73Å; D36-H41 IonicContact OD2-NE2 2.77Å; D36-H41 PolarHBondContact OD2-NE2 3.43Å; D36-H41 VanDerWaalsContact OD2-NE2 3.14Å
37	A	82.6	Confident	85.6	Confident	114 Å²	114	75.8 Å²	75.8	94%	0.942	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.5	179.2	0	0	0	0	0	114.1
38	K	81.2	Confident	87.2	Confident	188 Å²	188	72.6 Å²	72.6	82%	0.817	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.4	175.6	-57.1	-176.4	178.1	-176.5	0	112.9	D36	D36-K38 PolarHBondContact O-N 3.13Å; D36-K38 VanDerWaalsContact O-N 3.12Å; D36-K38 VanDerWaalsContact OD1-CA 3.3Å; D36-K38 WeakPolarHBondContact OD1-CA 3.48Å; D36-K38 VanDerWaalsContact OD1-CB 3.27Å; D36-K38 WeakPolarHBondContact OD1-CB 3.39Å; D36-K38 PolarHBondContact OD1-N 3.35Å
39	G	85	Confident	88.8	Confident	30 Å²	30	68.5 Å²	68.5	31%	0.309	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114	-153.6	177.9	0	0	0	0	0	113.3	H35 D36 H41	H35-G39 WeakPolarHBondContact CA-O 3.36Å; D36-G39 PolarHBondContact N-O 2.98Å; D36-G39 PolarHBondContact O-N 3.07Å; D36-G39 PolarHBondContact OD1-N 3.18Å; G39-H41 PolarHBondContact O-CD2 3.22Å
40	F	87.7	Confident	90	Very high	39 Å²	39	67.6 Å²	67.6	17%	0.171	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.3	-178.8	178.8	-104.6	0	0	0	111.1	F33 H35 L42 E96 C99 L100	F33-F40 HydrophobicContact CB-CE2 3.91Å; F33-F40 HydrophobicContact CB-CZ 3.76Å; F33-F40 AromaticContact CD2-CE2 3.91Å; F33-F40 HydrophobicContact CD2-CE2 3.91Å; F33-F40 HydrophobicContact CD2-CZ 4.28Å; F33-F40 HydrophobicContact CG-CE2 4.28Å; F33-F40 HydrophobicContact CG-CZ 4.26Å; H35-F40 AromaticContact CD2-CD2 3.75Å; H35-F40 AromaticContact CE1-CD2 3.65Å; H35-F40 AromaticContact NE2-CD2 3.34Å; H35-F40 VanDerWaalsContact NE2-CD2 3.34Å; H35-F40 WeakPolarHBondContact NE2-CD2 3.29Å; F40-L42 HydrophobicContact CE1-CB 3.92Å; F40-L42 HydrophobicContact CZ-CB 4.38Å; F40-E96 HydrophobicContact CD1-CG 3.81Å; F40-E96 HydrophobicContact CE1-CB 4.43Å; F40-E96 HydrophobicContact CE1-CG 3.61Å; F40-C99 HydrophobicContact CE1-CB 4.43Å; F40-C99 HydrophobicContact CE2-CB 4.16Å; F40-C99 HydrophobicContact CZ-CB 3.49Å; F40-C99 VanDerWaalsContact CZ-CB 3.49Å; F40-L100 HydrophobicContact CB-CD1 4.1Å; F40-L100 HydrophobicContact CD2-CB 4.47Å; F40-L100 HydrophobicContact CD2-CD1 4.14Å; F40-L100 HydrophobicContact CE2-CB 4.44Å; F40-L100 HydrophobicContact CG-CD1 4.08Å; F40-L100 HydrophobicContact CZ-CB 4.49Å
41	H	90.2	Very high	90.6	Very high	43 Å²	43	66 Å²	66	20%	0.199	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.7	176.5	-59.2	-91.5	0	0	0	109.9	F33 Y34 D36 G39	F33-H41 CarbonylContact C-O 3.18Å; F33-H41 WeakPolarHBondContact CA-O 3.37Å; F33-H41 WeakPolarHBondContact CB-O 3.2Å; Y34-H41 HydrophobicContact CD1-CB 4.36Å; Y34-H41 HydrophobicContact CD2-CB 4.44Å; Y34-H41 HydrophobicContact CE1-CB 3.91Å; Y34-H41 HydrophobicContact CE2-CB 4.01Å; Y34-H41 AromaticContact CE2-CD2 3.52Å; Y34-H41 AromaticContact CE2-CG 3.89Å; Y34-H41 AromaticContact CZ-CD2 3.98Å; Y34-H41 AromaticContact CZ-CG 3.86Å; Y34-H41 PolarHBondContact N-O 3.27Å; Y34-H41 PolarHBondContact O-N 3.01Å; D36-H41 IonicContact OD1-CD2 2.63Å; D36-H41 PolarHBondContact OD1-CD2 2.81Å; D36-H41 IonicContact OD1-CE1 3.76Å; D36-H41 IonicContact OD1-NE2 2.93Å; D36-H41 PolarHBondContact OD1-NE2 3.49Å; D36-H41 IonicContact OD2-CD2 2.73Å; D36-H41 IonicContact OD2-NE2 2.77Å; D36-H41 PolarHBondContact OD2-NE2 3.43Å; D36-H41 VanDerWaalsContact OD2-NE2 3.14Å; G39-H41 PolarHBondContact O-CD2 3.22Å
42	L	91.9	Very high	90.9	Very high	45 Å²	45	63.9 Å²	63.9	24%	0.236	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.8	169.9	178.4	63.4	0	0	0	109.2	F33 F40 P44 V95 E96 V113	F33-L42 HydrophobicContact CB-CD1 4.04Å; F40-L42 HydrophobicContact CE1-CB 3.92Å; F40-L42 HydrophobicContact CZ-CB 4.38Å; L42-P44 HydrophobicContact CD1-CG 4.39Å; L42-P44 HydrophobicContact CG-CG 4.2Å; L42-V95 HydrophobicContact CD1-CG1 4.1Å; L42-V95 HydrophobicContact CD2-CB 4.35Å; L42-V95 HydrophobicContact CD2-CG1 3.76Å; L42-E96 HydrophobicContact CD2-CB 4.27Å; L42-V113 HydrophobicContact CD1-CB 4.31Å; L42-V113 HydrophobicContact CD1-CG2 4.09Å
43	R	93.3	Very high	91.1	Very high	150 Å²	150	64 Å²	64	57%	0.566	35%	0.346	S	S	*	.			trans	-129.6	81.8	178.2	-64.1	-173.2	-173.1	-175.6	2	109.5	S32 Y34 H45	S32-R43 CarbonylContact C-O 3.54Å; S32-R43 VanDerWaalsContact CA-O 3.29Å; S32-R43 WeakPolarHBondContact CA-O 3.48Å; S32-R43 CarbonylContact O-C 3.58Å; S32-R43 WeakPolarHBondContact O-CA 3.4Å; S32-R43 PolarHBondContact O-N 2.82Å; S32-R43 VanDerWaalsContact O-O 3.05Å; Y34-R43 PolarHBondContact OH-NE 2.89Å; Y34-R43 PolarHBondContact OH-NH2 3.1Å; Y34-R43 VanDerWaalsContact OH-NH2 3.09Å; R43-H45 PolarHBondContact O-N 3.32Å
44	P	93.8	Very high	91.4	Very high	22 Å²	22	68.7 Å²	68.7	14%	0.143	37%	0.366	C	S	.	.			trans	-56.5	141.2	-180	-25.4	36.8	0	0	0	111.6	L42 T46 V113 E115 L124	L42-P44 HydrophobicContact CD1-CG 4.39Å; L42-P44 HydrophobicContact CG-CG 4.2Å; P44-T46 PolarHBondContact O-N 3.08Å; P44-V113 CarbonylContact C-O 3.52Å; P44-V113 WeakPolarHBondContact CA-O 3.08Å; P44-V113 HydrophobicContact CB-CB 4.41Å; P44-V113 HydrophobicContact CB-CG1 3.95Å; P44-V113 HydrophobicContact CG-CG1 3.99Å; P44-E115 HydrophobicContact CB-CB 3.83Å; P44-L124 HydrophobicContact CG-CD2 4.49Å
45	H	95.2	Very high	91.7	Very high	20 Å²	20	68.2 Å²	68.2	9%	0.093	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-66.2	130.9	174.1	-67.9	-68.4	0	0	0	111	K30 R43 K47 V113 Y114 E115	K30-H45 PolarHBondContact O-CE1 3.42Å; R43-H45 PolarHBondContact O-N 3.32Å; H45-K47 HydrophobicContact CB-CG 4.23Å; H45-V113 PolarHBondContact N-O 3.5Å; H45-Y114 HydrophobicContact CB-CD1 3.41Å; H45-Y114 VanDerWaalsContact CB-CD1 3.41Å; H45-Y114 HydrophobicContact CB-CE1 3.63Å; H45-Y114 HydrophobicContact CB-CG 4.02Å; H45-Y114 AromaticContact CD2-CE1 3.98Å; H45-Y114 AromaticContact CD2-CZ 3.91Å; H45-Y114 CarbonylContact O-C 3.55Å; H45-Y114 VanDerWaalsContact O-CA 3.27Å; H45-Y114 WeakPolarHBondContact O-CA 3.13Å; H45-E115 PolarHBondContact O-N 3.17Å
46	T	93.8	Very high	92.1	Very high	117 Å²	117	64.5 Å²	64.5	72%	0.718	36%	0.358	S	S	*	.			trans	-89.5	-18.5	177.7	54.2	0	0	0	0	113	P44 N116	P44-T46 PolarHBondContact O-N 3.08Å; T46-N116 PolarHBondContact O-ND2 2.85Å
47	K	93.6	Very high	92.3	Very high	31 Å²	31	71.2 Å²	71.2	14%	0.135	38%	0.383	C	S	.	.	S	Bend	trans	-59.4	149.8	172.6	61.4	174.2	167.6	168.8	0	110.8	D28 H45 I49 D52 Y114 N116	D28-K47 HydrophobicContact CB-CD 4.31Å; D28-K47 WeakPolarHBondContact O-CE 3.46Å; D28-K47 PolarHBondContact O-NZ 2.72Å; H45-K47 HydrophobicContact CB-CG 4.23Å; K47-I49 PolarHBondContact O-N 3.48Å; K47-D52 WeakPolarHBondContact CE-OD2 3.5Å; K47-D52 VanDerWaalsContact NZ-CG 3.31Å; K47-D52 IonicContact NZ-OD1 3.04Å; K47-D52 PolarHBondContact NZ-OD1 2.62Å; K47-D52 IonicContact NZ-OD2 2.81Å; K47-D52 PolarHBondContact NZ-OD2 3.47Å; K47-Y114 HydrophobicContact CG-CD1 4.49Å; K47-Y114 HydrophobicContact CG-CE1 4.18Å; K47-Y114 WeakPolarHBondContact O-CD1 3.16Å; K47-N116 PolarHBondContact O-ND2 2.72Å
48	P	94.2	Very high	92.8	Very high	78 Å²	78	69.7 Å²	69.7	51%	0.506	36%	0.359	S	S	.	.			trans	-58.5	128.8	176.9	-23.3	33.7	0	0	0	111	T50 S51 N116	P48-T50 PolarHBondContact O-N 2.78Å; P48-S51 WeakPolarHBondContact O-CB 3.49Å; P48-S51 PolarHBondContact O-N 3.35Å; P48-S51 PolarHBondContact O-OG 2.9Å; P48-N116 WeakPolarHBondContact CA-OD1 3.39Å
49	I	95.2	Very high	93.3	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.046	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-53.4	-29	176.7	-171	167.8	0	0	0	112.3	K47 S51 D52 Y53 V55 L82 Y114 N116 L125 V127	K47-I49 PolarHBondContact O-N 3.48Å; I49-S51 PolarHBondContact O-N 3.34Å; I49-D52 PolarHBondContact O-N 3.12Å; I49-D52 VanDerWaalsContact O-N 3.08Å; I49-Y53 HydrophobicContact CG1-CD2 4.14Å; I49-Y53 PolarHBondContact O-N 3.28Å; I49-V55 HydrophobicContact CG2-CG2 4.41Å; I49-L82 HydrophobicContact CD1-CD1 3.51Å; I49-L82 HydrophobicContact CD1-CD2 3.84Å; I49-L82 HydrophobicContact CD1-CG 4.34Å; I49-Y114 HydrophobicContact CB-CD1 4.13Å; I49-Y114 HydrophobicContact CB-CD2 4.3Å; I49-Y114 HydrophobicContact CB-CG 4.04Å; I49-Y114 HydrophobicContact CD1-CD2 3.94Å; I49-Y114 HydrophobicContact CD1-CE2 4.33Å; I49-Y114 HydrophobicContact CD1-CG 4.44Å; I49-Y114 HydrophobicContact CG1-CD1 4.47Å; I49-Y114 HydrophobicContact CG1-CD2 3.91Å; I49-Y114 HydrophobicContact CG1-CE2 4.05Å; I49-Y114 HydrophobicContact CG1-CG 4.17Å; I49-N116 PolarHBondContact N-OD1 3.14Å; I49-L125 HydrophobicContact CB-CD1 3.95Å; I49-L125 HydrophobicContact CD1-CB 4.05Å; I49-L125 HydrophobicContact CD1-CD1 4.06Å; I49-L125 HydrophobicContact CG2-CD1 3.62Å; I49-V127 HydrophobicContact CD1-CG2 4.01Å
50	T	95.1	Very high	93.5	Very high	75 Å²	75	65.5 Å²	65.5	46%	0.46	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-66	-13	178.6	52.3	0	0	0	0	113.5	P48 Y53 R74	P48-T50 PolarHBondContact O-N 2.78Å; T50-Y53 WeakPolarHBondContact CA-O 3.43Å; T50-R74 VanDerWaalsContact O-CZ 3.28Å; T50-R74 PolarHBondContact O-NE 3.03Å; T50-R74 PolarHBondContact O-NH2 3.16Å
51	S	94.5	Very high	93.3	Very high	60 Å²	60	65 Å²	65	42%	0.42	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-70.2	-35	170.4	71.4	0	0	0	0	111.9	P48 I49 R74	P48-S51 WeakPolarHBondContact O-CB 3.49Å; P48-S51 PolarHBondContact O-N 3.35Å; P48-S51 PolarHBondContact O-OG 2.9Å; I49-S51 PolarHBondContact O-N 3.34Å; S51-R74 WeakPolarHBondContact O-CD 3.3Å
52	D	95.2	Very high	92.8	Very high	33 Å²	33	68.8 Å²	68.8	18%	0.176	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-31.2	-170.7	-59.5	-17.3	0	0	0	112	K47 I49 R74 Y114	K47-D52 WeakPolarHBondContact CE-OD2 3.5Å; K47-D52 VanDerWaalsContact NZ-CG 3.31Å; K47-D52 IonicContact NZ-OD1 3.04Å; K47-D52 PolarHBondContact NZ-OD1 2.62Å; K47-D52 IonicContact NZ-OD2 2.81Å; K47-D52 PolarHBondContact NZ-OD2 3.47Å; I49-D52 PolarHBondContact O-N 3.12Å; I49-D52 VanDerWaalsContact O-N 3.08Å; D52-R74 WeakPolarHBondContact O-CB 3.38Å; D52-R74 PolarHBondContact O-N 3.49Å; D52-Y114 WeakPolarHBondContact CB-OH 3.33Å; D52-Y114 WeakPolarHBondContact OD2-CE1 3.2Å; D52-Y114 PolarHBondContact OD2-OH 2.94Å
53	Y	97.1	Very high	91.7	Very high	2 Å²	2	68 Å²	68	1%	0.008	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.3	-176.7	-62	-95.1	0	0	0	112.1	I49 T50 F72 R73 F80 N112 Y114 V127	I49-Y53 HydrophobicContact CG1-CD2 4.14Å; I49-Y53 PolarHBondContact O-N 3.28Å; T50-Y53 WeakPolarHBondContact CA-O 3.43Å; Y53-F72 CarbonylContact C-O 3.47Å; Y53-F72 VanDerWaalsContact CA-O 3.23Å; Y53-F72 WeakPolarHBondContact CA-O 3.47Å; Y53-R73 HydrophobicContact CD1-CB 3.97Å; Y53-R73 HydrophobicContact CE1-CB 3.72Å; Y53-R73 HydrophobicContact CE1-CG 4.24Å; Y53-R73 PolarHBondContact OH-NE 3.36Å; Y53-R73 PolarHBondContact OH-NH2 3.12Å; Y53-F80 HydrophobicContact CD1-CD2 4.23Å; Y53-F80 AromaticContact CE1-CD2 3.74Å; Y53-F80 HydrophobicContact CE1-CD2 3.74Å; Y53-F80 AromaticContact CE1-CE2 3.98Å; Y53-F80 HydrophobicContact CE1-CE2 3.98Å; Y53-F80 HydrophobicContact CE1-CG 4.24Å; Y53-N112 PolarHBondContact OH-ND2 3.35Å; Y53-Y114 HydrophobicContact CD2-CE2 4.34Å; Y53-Y114 HydrophobicContact CE2-CE2 4.08Å; Y53-Y114 WeakPolarHBondContact CE2-OH 3.15Å; Y53-V127 HydrophobicContact CD1-CG1 4.41Å; Y53-V127 HydrophobicContact CD2-CG2 4.28Å; Y53-V127 HydrophobicContact CE1-CG1 3.78Å; Y53-V127 HydrophobicContact CE2-CG1 4.47Å; Y53-V127 HydrophobicContact CE2-CG2 4.06Å
54	K	97.2	Very high	90.4	Very high	136 Å²	136	66.4 Å²	66.4	59%	0.591	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	112	165	-178.1	-176.8	178.4	-175.8	0	108	C71 F72	K54-C71 CarbonylContact O-C 3.5Å; K54-C71 WeakPolarHBondContact O-CA 3.17Å; K54-F72 PolarHBondContact N-O 3.36Å; K54-F72 PolarHBondContact O-N 3.31Å
55	V	95.6	Very high	89.3	Confident	59 Å²	59	67.1 Å²	67.1	36%	0.358	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.4	178.3	-175.5	0	0	0	0	109.6	I49 V69 C71 L82	I49-V55 HydrophobicContact CG2-CG2 4.41Å; V55-V69 HydrophobicContact CG1-CG2 3.83Å; V55-C71 HydrophobicContact CG2-CB 4.49Å; V55-L82 HydrophobicContact CG1-CD2 3.95Å; V55-L82 HydrophobicContact CG2-CD2 3.8Å
56	S	94.2	Very high	88.6	Confident	36 Å²	36	66.8 Å²	66.8	25%	0.252	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	160.6	177.9	-171.7	0	0	0	0	110.9	N58 E70	S56-N58 VanDerWaalsContact C-N 3.29Å; S56-N58 WeakPolarHBondContact OG-CB 3.39Å; S56-N58 PolarHBondContact OG-N 3.28Å; S56-E70 WeakPolarHBondContact CA-O 3.49Å; S56-E70 WeakPolarHBondContact CB-O 3.26Å; S56-E70 WeakPolarHBondContact CB-OE1 3.43Å; S56-E70 PolarHBondContact N-O 3.16Å; S56-E70 PolarHBondContact OG-OE1 3.36Å
57	K	91.4	Very high	88.4	Confident	208 Å²	208	65.7 Å²	65.7	90%	0.904	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	-15.5	167.8	-66.6	-176.7	-179.7	179.8	0	112.1	V59	K57-V59 PolarHBondContact O-N 2.83Å
58	N	93.1	Very high	88.4	Confident	82 Å²	82	65.5 Å²	65.5	44%	0.439	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.3	-177.6	-171.3	23.5	0	0	0	111.2	S56 V69 E70	S56-N58 VanDerWaalsContact C-N 3.29Å; S56-N58 WeakPolarHBondContact OG-CB 3.39Å; S56-N58 PolarHBondContact OG-N 3.28Å; N58-V69 WeakPolarHBondContact O-CA 3.17Å; N58-E70 HydrophobicContact CB-CB 4.24Å; N58-E70 WeakPolarHBondContact CB-OE1 3.48Å; N58-E70 PolarHBondContact O-N 3.41Å
59	V	92.4	Very high	88.5	Confident	59 Å²	59	62.4 Å²	62.4	36%	0.358	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.3	-178.2	-172.7	0	0	0	0	107.9	K57 V62 K67	K57-V59 PolarHBondContact O-N 2.83Å; V59-V62 HydrophobicContact CG1-CG2 4.05Å; V59-K67 HydrophobicContact CG1-CD 4.28Å; V59-K67 HydrophobicContact CG1-CG 3.95Å
60	L	88.7	Confident	88.5	Confident	72 Å²	72	63 Å²	63	38%	0.377	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-29.8	179.2	-60.6	178.7	0	0	0	111.6	V68 E70 A81	L60-V68 HydrophobicContact CB-CG1 4.16Å; L60-V68 HydrophobicContact CD1-CG1 4.39Å; L60-V68 PolarHBondContact N-O 2.78Å; L60-E70 HydrophobicContact CD1-CB 4.11Å; L60-E70 HydrophobicContact CD2-CB 4.14Å; L60-E70 HydrophobicContact CG-CB 4.09Å; L60-A81 HydrophobicContact CD1-CB 3.84Å
61	G	82.7	Confident	88.6	Confident	29 Å²	29	59.4 Å²	59.4	30%	0.299	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	161.8	177.3	0	0	0	0	0	112.5	V68	G61-V68 PolarHBondContact N-O 3.41Å; G61-V68 PolarHBondContact O-N 2.88Å
62	V	80.1	Confident	88.8	Confident	121 Å²	121	59.6 Å²	59.6	73%	0.733	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	104.2	173.3	-176.1	0	0	0	0	106.8	V59 K67	V59-V62 HydrophobicContact CG1-CG2 4.05Å; V62-K67 HydrophobicContact CG2-CG 4.49Å
63	G	69.3	Low	88.9	Confident	30 Å²	30	61 Å²	61	31%	0.309	33%	0.325	S	S	.	.			trans	-93.9	173.3	176.3	0	0	0	0	0	111.8	N65 G66	G63-N65 VanDerWaalsContact C-N 3.26Å; G63-N65 PolarHBondContact O-N 3.29Å; G63-G66 PolarHBondContact N-O 3.18Å; G63-G66 PolarHBondContact O-N 2.63Å
64	I	66.1	Low	88.8	Confident	115 Å²	115	67.7 Å²	67.7	59%	0.59	35%	0.35	S	S	*	.	S	Bend	trans	-59.5	-37.4	-179.9	-64	168.5	0	0	0	111.6	F198	I64-F198 HydrophobicContact CD1-CE2 3.96Å; I64-F198 HydrophobicContact CD1-CZ 4.12Å
65	N	70.2	Confident	88.6	Confident	37 Å²	37	69.4 Å²	69.4	20%	0.198	36%	0.357	C	S	.	.	S	Bend	trans	-96.6	-12.4	-173.8	-56.7	-63.6	0	0	0	113.8	G63 L85 G197	G63-N65 VanDerWaalsContact C-N 3.26Å; G63-N65 PolarHBondContact O-N 3.29Å; N65-L85 HydrophobicContact CB-CD2 3.88Å; N65-L85 WeakPolarHBondContact O-CD2 3.1Å; N65-G197 VanDerWaalsContact ND2-CA 3.32Å; N65-G197 WeakPolarHBondContact ND2-CA 3.42Å
66	G	80.5	Confident	88.6	Confident	14 Å²	14	70.8 Å²	70.8	14%	0.144	37%	0.366	C	S	.	.			trans	171.4	163.8	-176.7	0	0	0	0	0	114.8	G63 V84	G63-G66 PolarHBondContact N-O 3.18Å; G63-G66 PolarHBondContact O-N 2.63Å; G66-V84 VanDerWaalsContact CA-O 3.28Å; G66-V84 WeakPolarHBondContact CA-O 3.46Å
67	K	90.3	Very high	88.6	Confident	94 Å²	94	71.5 Å²	71.5	41%	0.409	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139	176.2	-174.3	180	-179.4	-177.4	0	109.8	V59 V62 V69 V84	V59-K67 HydrophobicContact CG1-CD 4.28Å; V59-K67 HydrophobicContact CG1-CG 3.95Å; V62-K67 HydrophobicContact CG2-CG 4.49Å; K67-V69 HydrophobicContact CD-CG1 3.99Å; K67-V69 HydrophobicContact CG-CG1 4.02Å; K67-V84 PolarHBondContact O-N 3.34Å
68	V	93.5	Very high	88.8	Confident	27 Å²	27	65.7 Å²	65.7	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.3	171	-172.3	0	0	0	0	108.6	L60 G61 A81 L82 K83 M128	L60-V68 HydrophobicContact CB-CG1 4.16Å; L60-V68 HydrophobicContact CD1-CG1 4.39Å; L60-V68 PolarHBondContact N-O 2.78Å; G61-V68 PolarHBondContact N-O 3.41Å; G61-V68 PolarHBondContact O-N 2.88Å; V68-A81 HydrophobicContact CG1-CB 3.93Å; V68-L82 CarbonylContact C-O 3.44Å; V68-L82 VanDerWaalsContact CA-O 3.31Å; V68-L82 WeakPolarHBondContact CA-O 3.28Å; V68-K83 HydrophobicContact CG2-CB 4.27Å; V68-K83 HydrophobicContact CG2-CG 4.1Å; V68-M128 HydrophobicContact CG1-CE 4.35Å
69	V	95.1	Very high	88.9	Confident	12 Å²	12	65.2 Å²	65.2	7%	0.073	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	158.2	177.6	-61.2	0	0	0	0	110.6	V55 N58 K67 L82	V55-V69 HydrophobicContact CG1-CG2 3.83Å; N58-V69 WeakPolarHBondContact O-CA 3.17Å; K67-V69 HydrophobicContact CD-CG1 3.99Å; K67-V69 HydrophobicContact CG-CG1 4.02Å; V69-L82 HydrophobicContact CG2-CB 3.85Å; V69-L82 HydrophobicContact CG2-CD2 3.96Å; V69-L82 HydrophobicContact CG2-CG 4.16Å; V69-L82 PolarHBondContact N-O 3.04Å; V69-L82 WeakPolarHBondContact O-CB 3.47Å; V69-L82 PolarHBondContact O-N 3.02Å
70	E	96.9	Very high	89.2	Confident	22 Å²	22	62.5 Å²	62.5	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.8	174	177.4	-173.5	52	0	0	110.6	S56 N58 L60 F72 K79	S56-E70 WeakPolarHBondContact CA-O 3.49Å; S56-E70 WeakPolarHBondContact CB-O 3.26Å; S56-E70 WeakPolarHBondContact CB-OE1 3.43Å; S56-E70 PolarHBondContact N-O 3.16Å; S56-E70 PolarHBondContact OG-OE1 3.36Å; N58-E70 HydrophobicContact CB-CB 4.24Å; N58-E70 WeakPolarHBondContact CB-OE1 3.48Å; N58-E70 PolarHBondContact O-N 3.41Å; L60-E70 HydrophobicContact CD1-CB 4.11Å; L60-E70 HydrophobicContact CD2-CB 4.14Å; L60-E70 HydrophobicContact CG-CB 4.09Å; E70-F72 VanDerWaalsContact CD-CE2 3.5Å; E70-F72 HydrophobicContact CG-CD2 4.45Å; E70-F72 HydrophobicContact CG-CE2 3.62Å; E70-F72 HydrophobicContact CG-CZ 3.76Å; E70-F72 WeakPolarHBondContact OE2-CZ 3.28Å; E70-K79 HydrophobicContact CG-CG 4.25Å; E70-K79 WeakPolarHBondContact OE2-CE 3.24Å; E70-K79 IonicContact OE2-NZ 2.76Å
71	C	97.3	Very high	89.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.8	169.3	71.9	0	0	0	0	111.7	K54 V55 F80 L82	K54-C71 CarbonylContact O-C 3.5Å; K54-C71 WeakPolarHBondContact O-CA 3.17Å; V55-C71 HydrophobicContact CG2-CB 4.49Å; C71-F80 PolarHBondContact N-O 3.1Å; C71-F80 PolarHBondContact O-N 3.12Å; C71-L82 HydrophobicContact CB-CB 4.25Å
72	F	97.9	Very high	90.2	Very high	64 Å²	64	58.1 Å²	58.1	28%	0.281	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131	-177	-60.8	-91.8	0	0	0	110.5	Y53 K54 E70 R74 E78 K79	Y53-F72 CarbonylContact C-O 3.47Å; Y53-F72 VanDerWaalsContact CA-O 3.23Å; Y53-F72 WeakPolarHBondContact CA-O 3.47Å; K54-F72 PolarHBondContact N-O 3.36Å; K54-F72 PolarHBondContact O-N 3.31Å; E70-F72 VanDerWaalsContact CD-CE2 3.5Å; E70-F72 HydrophobicContact CG-CD2 4.45Å; E70-F72 HydrophobicContact CG-CE2 3.62Å; E70-F72 HydrophobicContact CG-CZ 3.76Å; E70-F72 WeakPolarHBondContact OE2-CZ 3.28Å; F72-R74 PolarHBondContact O-N 3.18Å; F72-E78 CarbonylContact C-O 3.55Å; F72-E78 VanDerWaalsContact CA-O 3.24Å; F72-E78 WeakPolarHBondContact CA-O 3.24Å; F72-K79 HydrophobicContact CD1-CB 3.92Å; F72-K79 HydrophobicContact CD1-CG 4.32Å; F72-K79 HydrophobicContact CE1-CB 3.71Å; F72-K79 HydrophobicContact CE1-CD 4.18Å; F72-K79 HydrophobicContact CE1-CG 3.79Å; F72-K79 HydrophobicContact CZ-CD 4.47Å; F72-K79 HydrophobicContact CZ-CG 4.25Å
73	R	96.8	Very high	90.9	Very high	61 Å²	61	52.7 Å²	52.7	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.8	175.4	-179.6	173.7	-69.3	157.7	-3.5	109.4	Y53 K75 T76 G77 E78 F80	Y53-R73 HydrophobicContact CD1-CB 3.97Å; Y53-R73 HydrophobicContact CE1-CB 3.72Å; Y53-R73 HydrophobicContact CE1-CG 4.24Å; Y53-R73 PolarHBondContact OH-NE 3.36Å; Y53-R73 PolarHBondContact OH-NH2 3.12Å; R73-K75 PolarHBondContact O-N 2.68Å; R73-T76 WeakPolarHBondContact CD-OG1 3.43Å; R73-T76 PolarHBondContact O-N 2.83Å; R73-G77 WeakPolarHBondContact O-CA 3.38Å; R73-G77 PolarHBondContact O-N 3.44Å; R73-E78 PolarHBondContact N-O 3.25Å; R73-E78 IonicContact NH1-OE2 2.81Å; R73-E78 PolarHBondContact NH1-OE2 3.4Å; R73-F80 HydrophobicContact CB-CD2 4.24Å; R73-F80 HydrophobicContact CB-CE2 3.64Å
74	R	95.5	Very high	92.1	Very high	143 Å²	143	53.7 Å²	53.7	54%	0.54	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-39.6	-174.1	-73.5	-176.9	176.6	-88.4	7.1	113.6	T50 S51 D52 F72 T76	T50-R74 VanDerWaalsContact O-CZ 3.28Å; T50-R74 PolarHBondContact O-NE 3.03Å; T50-R74 PolarHBondContact O-NH2 3.16Å; S51-R74 WeakPolarHBondContact O-CD 3.3Å; D52-R74 WeakPolarHBondContact O-CB 3.38Å; D52-R74 PolarHBondContact O-N 3.49Å; F72-R74 PolarHBondContact O-N 3.18Å; R74-T76 VanDerWaalsContact C-N 3.35Å; R74-T76 PolarHBondContact O-N 2.88Å
75	K	93.1	Very high	93.4	Very high	172 Å²	172	48.3 Å²	48.3	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.2	-176.9	-65.4	-177.1	-179.1	176.5	0	112.6	R73	R73-K75 PolarHBondContact O-N 2.68Å
76	T	94.6	Very high	94.5	Very high	89 Å²	89	54 Å²	54	55%	0.546	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-17.7	-169.7	59.4	0	0	0	0	114.4	R73 R74 E78	R73-T76 WeakPolarHBondContact CD-OG1 3.43Å; R73-T76 PolarHBondContact O-N 2.83Å; R74-T76 VanDerWaalsContact C-N 3.35Å; R74-T76 PolarHBondContact O-N 2.88Å; T76-E78 PolarHBondContact O-N 2.96Å; T76-E78 VanDerWaalsContact OG1-CB 3.31Å; T76-E78 WeakPolarHBondContact OG1-CB 3.12Å; T76-E78 PolarHBondContact OG1-N 3.2Å
77	G	94.6	Very high	95.2	Very high	50 Å²	50	54.8 Å²	54.8	52%	0.515	26%	0.262	S	S	.	.			trans	74.1	2.1	-171.2	0	0	0	0	0	114.5	R73	R73-G77 WeakPolarHBondContact O-CA 3.38Å; R73-G77 PolarHBondContact O-N 3.44Å
78	E	95.9	Very high	95.2	Very high	86 Å²	86	52.8 Å²	52.8	40%	0.402	26%	0.258	S	S	.	.			trans	-64.9	139.6	-178.5	-175.9	-175.3	-173.5	0	0	111.5	F72 R73 T76 F80	F72-E78 CarbonylContact C-O 3.55Å; F72-E78 VanDerWaalsContact CA-O 3.24Å; F72-E78 WeakPolarHBondContact CA-O 3.24Å; R73-E78 PolarHBondContact N-O 3.25Å; R73-E78 IonicContact NH1-OE2 2.81Å; R73-E78 PolarHBondContact NH1-OE2 3.4Å; T76-E78 PolarHBondContact O-N 2.96Å; T76-E78 VanDerWaalsContact OG1-CB 3.31Å; T76-E78 WeakPolarHBondContact OG1-CB 3.12Å; T76-E78 PolarHBondContact OG1-N 3.2Å; E78-F80 HydrophobicContact CB-CE2 3.75Å; E78-F80 HydrophobicContact CB-CZ 4.23Å; E78-F80 HydrophobicContact CG-CE2 3.64Å; E78-F80 HydrophobicContact CG-CZ 3.71Å; E78-F80 WeakPolarHBondContact O-CD2 3.48Å; E78-F80 VanDerWaalsContact O-CE2 3.32Å; E78-F80 WeakPolarHBondContact O-CE2 3.35Å; E78-F80 WeakPolarHBondContact OE2-CZ 3.38Å
79	K	96.3	Very high	95.1	Very high	72 Å²	72	56.8 Å²	56.8	31%	0.313	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.9	-174.8	-177.9	179.6	167	-170.8	0	112	E70 F72 C130 E132	E70-K79 HydrophobicContact CG-CG 4.25Å; E70-K79 WeakPolarHBondContact OE2-CE 3.24Å; E70-K79 IonicContact OE2-NZ 2.76Å; F72-K79 HydrophobicContact CD1-CB 3.92Å; F72-K79 HydrophobicContact CD1-CG 4.32Å; F72-K79 HydrophobicContact CE1-CB 3.71Å; F72-K79 HydrophobicContact CE1-CD 4.18Å; F72-K79 HydrophobicContact CE1-CG 3.79Å; F72-K79 HydrophobicContact CZ-CD 4.47Å; F72-K79 HydrophobicContact CZ-CG 4.25Å; K79-C130 VanDerWaalsContact CE-SG 3.51Å; K79-C130 HydrophobicContact CG-CB 4.41Å; K79-E132 WeakPolarHBondContact CE-OE1 3.42Å; K79-E132 IonicContact NZ-OE1 3.61Å; K79-E132 PolarHBondContact NZ-OE1 3.11Å
80	F	97.2	Very high	94.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.009	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	165.9	-178.9	-64.5	-87.8	0	0	0	111.1	Y53 C71 R73 E78 Y111 V127 M128	Y53-F80 HydrophobicContact CD1-CD2 4.23Å; Y53-F80 AromaticContact CE1-CD2 3.74Å; Y53-F80 HydrophobicContact CE1-CD2 3.74Å; Y53-F80 AromaticContact CE1-CE2 3.98Å; Y53-F80 HydrophobicContact CE1-CE2 3.98Å; Y53-F80 HydrophobicContact CE1-CG 4.24Å; C71-F80 PolarHBondContact N-O 3.1Å; C71-F80 PolarHBondContact O-N 3.12Å; R73-F80 HydrophobicContact CB-CD2 4.24Å; R73-F80 HydrophobicContact CB-CE2 3.64Å; E78-F80 HydrophobicContact CB-CE2 3.75Å; E78-F80 HydrophobicContact CB-CZ 4.23Å; E78-F80 HydrophobicContact CG-CE2 3.64Å; E78-F80 HydrophobicContact CG-CZ 3.71Å; E78-F80 WeakPolarHBondContact O-CD2 3.48Å; E78-F80 VanDerWaalsContact O-CE2 3.32Å; E78-F80 WeakPolarHBondContact O-CE2 3.35Å; E78-F80 WeakPolarHBondContact OE2-CZ 3.38Å; F80-Y111 AromaticContact CD1-CD2 3.9Å; F80-Y111 HydrophobicContact CD1-CD2 3.9Å; F80-Y111 HydrophobicContact CD1-CE2 4.04Å; F80-Y111 HydrophobicContact CD1-CG 4.32Å; F80-Y111 HydrophobicContact CE1-CD1 4.01Å; F80-Y111 AromaticContact CE1-CD2 3.8Å; F80-Y111 HydrophobicContact CE1-CD2 3.8Å; F80-Y111 AromaticContact CE1-CE1 3.97Å; F80-Y111 HydrophobicContact CE1-CE1 3.97Å; F80-Y111 AromaticContact CE1-CE2 3.79Å; F80-Y111 HydrophobicContact CE1-CE2 3.79Å; F80-Y111 AromaticContact CE1-CG 3.9Å; F80-Y111 HydrophobicContact CE1-CG 3.9Å; F80-Y111 AromaticContact CE1-CZ 3.86Å; F80-V127 HydrophobicContact CB-CG1 3.86Å; F80-V127 HydrophobicContact CD1-CG1 3.99Å; F80-V127 HydrophobicContact CG-CG1 3.95Å; F80-M128 WeakPolarHBondContact CB-O 3.21Å
81	A	96.4	Very high	94.7	Very high	6 Å²	6	59.9 Å²	59.9	5%	0.05	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.4	167.6	0	0	0	0	0	110.2	L60 V68 V127 M128	L60-A81 HydrophobicContact CD1-CB 3.84Å; V68-A81 HydrophobicContact CG1-CB 3.93Å; A81-V127 CarbonylContact O-C 3.44Å; A81-V127 WeakPolarHBondContact O-CA 3.43Å; A81-M128 HydrophobicContact CB-CB 4.49Å; A81-M128 HydrophobicContact CB-CE 4.28Å; A81-M128 PolarHBondContact N-O 3.37Å; A81-M128 PolarHBondContact O-N 3.2Å
82	L	96.6	Very high	94.5	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.5	-179.9	178.9	61.5	0	0	0	110	I49 V55 V68 V69 C71 V84 L125 M126 V127	I49-L82 HydrophobicContact CD1-CD1 3.51Å; I49-L82 HydrophobicContact CD1-CD2 3.84Å; I49-L82 HydrophobicContact CD1-CG 4.34Å; V55-L82 HydrophobicContact CG1-CD2 3.95Å; V55-L82 HydrophobicContact CG2-CD2 3.8Å; V68-L82 CarbonylContact C-O 3.44Å; V68-L82 VanDerWaalsContact CA-O 3.31Å; V68-L82 WeakPolarHBondContact CA-O 3.28Å; V69-L82 HydrophobicContact CG2-CB 3.85Å; V69-L82 HydrophobicContact CG2-CD2 3.96Å; V69-L82 HydrophobicContact CG2-CG 4.16Å; V69-L82 PolarHBondContact N-O 3.04Å; V69-L82 WeakPolarHBondContact O-CB 3.47Å; V69-L82 PolarHBondContact O-N 3.02Å; C71-L82 HydrophobicContact CB-CB 4.25Å; L82-V84 HydrophobicContact CG-CG2 4.29Å; L82-L125 HydrophobicContact CD1-CB 4Å; L82-M126 WeakPolarHBondContact CA-O 3.18Å; L82-V127 HydrophobicContact CD1-CG2 4.07Å
83	K	95.3	Very high	94.2	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.7	171.7	-166.1	173.7	-163.3	178.1	0	109.7	V68 L85 E94 M126 M128 D195	V68-K83 HydrophobicContact CG2-CB 4.27Å; V68-K83 HydrophobicContact CG2-CG 4.1Å; K83-L85 HydrophobicContact CD-CD2 4.17Å; K83-L85 HydrophobicContact CG-CD2 4.06Å; K83-L85 HydrophobicContact CG-CG 4.24Å; K83-E94 WeakPolarHBondContact CE-OE1 3.38Å; K83-E94 IonicContact NZ-OE1 3.71Å; K83-E94 PolarHBondContact NZ-OE1 3.44Å; K83-M126 HydrophobicContact CB-CB 4.3Å; K83-M126 HydrophobicContact CB-CE 4.42Å; K83-M126 HydrophobicContact CD-CE 4.02Å; K83-M126 PolarHBondContact N-O 2.7Å; K83-M126 PolarHBondContact O-N 2.58Å; K83-M128 HydrophobicContact CB-CE 3.74Å; K83-M128 HydrophobicContact CB-SD 4.49Å; K83-D195 IonicContact NZ-OD1 2.73Å; K83-D195 PolarHBondContact NZ-OD1 3.25Å
84	V	94.1	Very high	94.1	Very high	50 Å²	50	62.5 Å²	62.5	30%	0.303	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.3	-179.8	-176.3	0	0	0	0	109	G66 K67 L82 L125	G66-V84 VanDerWaalsContact CA-O 3.28Å; G66-V84 WeakPolarHBondContact CA-O 3.46Å; K67-V84 PolarHBondContact O-N 3.34Å; L82-V84 HydrophobicContact CG-CG2 4.29Å; V84-L125 HydrophobicContact CB-CD2 4.25Å; V84-L125 HydrophobicContact CG1-CD2 3.81Å; V84-L125 HydrophobicContact CG2-CD2 4.03Å
85	L	93.5	Very high	94	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.2	-179.4	-58	174.5	0	0	0	110.1	N65 K83 A91 V95 C123 L124	N65-L85 HydrophobicContact CB-CD2 3.88Å; N65-L85 WeakPolarHBondContact O-CD2 3.1Å; K83-L85 HydrophobicContact CD-CD2 4.17Å; K83-L85 HydrophobicContact CG-CD2 4.06Å; K83-L85 HydrophobicContact CG-CG 4.24Å; L85-A91 HydrophobicContact CB-CB 4.06Å; L85-A91 HydrophobicContact CD1-CB 4.24Å; L85-V95 HydrophobicContact CD1-CG2 3.78Å; L85-C123 CarbonylContact O-C 3.52Å; L85-C123 WeakPolarHBondContact O-CA 3.35Å; L85-C123 WeakPolarHBondContact O-CB 3.18Å; L85-L124 HydrophobicContact CB-CB 4.36Å; L85-L124 PolarHBondContact N-O 3.04Å; L85-L124 PolarHBondContact O-N 2.75Å
86	R	93.2	Very high	94.1	Very high	156 Å²	156	50.5 Å²	50.5	59%	0.589	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.2	167.1	-167.5	-179.9	-158.8	178	5.7	108.8	T88 A91 L121	R86-T88 HydrophobicContact CB-CG2 4.45Å; R86-T88 HydrophobicContact CG-CG2 4.32Å; R86-T88 PolarHBondContact O-N 3.11Å; R86-T88 PolarHBondContact O-OG1 3.42Å; R86-A91 VanDerWaalsContact O-CB 3.22Å; R86-A91 WeakPolarHBondContact O-CB 3.5Å; R86-L121 VanDerWaalsContact NH2-CD2 3.31Å
87	D	94.2	Very high	94.1	Very high	30 Å²	30	46.3 Å²	46.3	16%	0.16	23%	0.233	C	C	.	.			trans	-66.9	104.1	-179.6	-172.9	10.8	0	0	0	110.3	R92 R122 L124	D87-R92 IonicContact OD1-CZ 3.31Å; D87-R92 IonicContact OD1-NE 3.8Å; D87-R92 PolarHBondContact OD1-NE 3.02Å; D87-R92 IonicContact OD1-NH2 3.62Å; D87-R92 PolarHBondContact OD1-NH2 2.85Å; D87-R92 IonicContact OD2-CZ 2.92Å; D87-R92 IonicContact OD2-NE 2.71Å; D87-R92 IonicContact OD2-NH2 3.79Å; D87-R92 PolarHBondContact OD2-NH2 3.32Å; D87-R122 HydrophobicContact CB-CB 3.79Å; D87-R122 WeakPolarHBondContact CB-O 3.05Å; D87-R122 PolarHBondContact N-O 3.49Å; D87-R122 IonicContact OD2-CZ 2.73Å; D87-R122 IonicContact OD2-NE 3.59Å; D87-R122 IonicContact OD2-NH2 3.42Å; D87-L124 HydrophobicContact CB-CG 4.16Å
88	T	92.3	Very high	94.2	Very high	53 Å²	53	43.9 Å²	43.9	33%	0.325	21%	0.208	S	C	.	.			trans	-140.6	159.1	-178.8	60.2	0	0	0	0	108.4	R86 K90 A91 R92	R86-T88 HydrophobicContact CB-CG2 4.45Å; R86-T88 HydrophobicContact CG-CG2 4.32Å; R86-T88 PolarHBondContact O-N 3.11Å; R86-T88 PolarHBondContact O-OG1 3.42Å; T88-K90 PolarHBondContact O-N 3.4Å; T88-A91 PolarHBondContact O-N 3.25Å; T88-A91 VanDerWaalsContact O-N 3.09Å; T88-A91 WeakPolarHBondContact OG1-CB 3.47Å; T88-A91 PolarHBondContact OG1-N 3.15Å; T88-R92 PolarHBondContact O-N 3.23Å
89	P	91.3	Very high	94.2	Very high	111 Å²	111	40 Å²	40	72%	0.721	19%	0.19	S	C	*	.	H	α-helix	trans	-54.6	-37.3	176.3	-27.7	35.8	0	0	0	113.5	R93	P89-R93 PolarHBondContact O-N 3.12Å; P89-R93 VanDerWaalsContact O-N 3.11Å
90	K	89.7	Confident	94	Very high	93 Å²	93	37.4 Å²	37.4	40%	0.404	18%	0.18	S	C	.	.	H	α-helix	trans	-65	-46.9	175.5	-174.1	178.7	176.9	-175.2	0	111.8	T88 R92 R93 E94 G197	T88-K90 PolarHBondContact O-N 3.4Å; K90-R92 PolarHBondContact O-N 3.25Å; K90-R93 WeakPolarHBondContact O-CB 3.37Å; K90-R93 PolarHBondContact O-N 3.37Å; K90-E94 PolarHBondContact O-N 2.98Å; K90-G197 WeakPolarHBondContact CE-O 3.28Å
91	A	92.3	Very high	93.9	Very high	6 Å²	6	37.4 Å²	37.4	5%	0.05	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-38.1	177.7	0	0	0	0	0	112.5	L85 R86 T88 R93 E94 V95 L124	L85-A91 HydrophobicContact CB-CB 4.06Å; L85-A91 HydrophobicContact CD1-CB 4.24Å; R86-A91 VanDerWaalsContact O-CB 3.22Å; R86-A91 WeakPolarHBondContact O-CB 3.5Å; T88-A91 PolarHBondContact O-N 3.25Å; T88-A91 VanDerWaalsContact O-N 3.09Å; T88-A91 WeakPolarHBondContact OG1-CB 3.47Å; T88-A91 PolarHBondContact OG1-N 3.15Å; A91-R93 VanDerWaalsContact C-N 3.33Å; A91-R93 PolarHBondContact O-N 3.3Å; A91-E94 PolarHBondContact O-N 2.84Å; A91-V95 VanDerWaalsContact O-CG2 3.31Å; A91-V95 WeakPolarHBondContact O-CG2 3.49Å; A91-V95 PolarHBondContact O-N 2.95Å; A91-L124 HydrophobicContact CB-CD1 4.18Å
92	R	93.5	Very high	93.8	Very high	82 Å²	82	37.6 Å²	37.6	31%	0.309	18%	0.181	S	C	.	.	H	α-helix	trans	-62.2	-41.3	174.5	-75.8	-171.3	177.6	-100.9	-2.4	112.1	D87 T88 K90 V95 E96 E115 L124	D87-R92 IonicContact OD1-CZ 3.31Å; D87-R92 IonicContact OD1-NE 3.8Å; D87-R92 PolarHBondContact OD1-NE 3.02Å; D87-R92 IonicContact OD1-NH2 3.62Å; D87-R92 PolarHBondContact OD1-NH2 2.85Å; D87-R92 IonicContact OD2-CZ 2.92Å; D87-R92 IonicContact OD2-NE 2.71Å; D87-R92 IonicContact OD2-NH2 3.79Å; D87-R92 PolarHBondContact OD2-NH2 3.32Å; T88-R92 PolarHBondContact O-N 3.23Å; K90-R92 PolarHBondContact O-N 3.25Å; R92-V95 PolarHBondContact O-N 3.05Å; R92-E96 WeakPolarHBondContact O-CB 3.39Å; R92-E96 PolarHBondContact O-N 3.32Å; R92-E115 IonicContact CZ-OE2 2.75Å; R92-E115 IonicContact NH1-OE2 2.98Å; R92-E115 IonicContact NH2-OE2 3.22Å; R92-E115 PolarHBondContact NH2-OE2 3.15Å; R92-L124 HydrophobicContact CB-CD1 4.48Å; R92-L124 HydrophobicContact CG-CD1 3.65Å
93	R	92.3	Very high	93.6	Very high	94 Å²	94	42.3 Å²	42.3	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-46.9	175.2	-170.8	-171.3	-48.3	-148	4.5	111.7	P89 K90 A91 V95 E96 L97	P89-R93 PolarHBondContact O-N 3.12Å; P89-R93 VanDerWaalsContact O-N 3.11Å; K90-R93 WeakPolarHBondContact O-CB 3.37Å; K90-R93 PolarHBondContact O-N 3.37Å; A91-R93 VanDerWaalsContact C-N 3.33Å; A91-R93 PolarHBondContact O-N 3.3Å; R93-V95 VanDerWaalsContact C-N 3.35Å; R93-V95 PolarHBondContact O-N 3.32Å; R93-E96 PolarHBondContact O-N 3.32Å; R93-L97 HydrophobicContact CG-CD1 4.06Å; R93-L97 HydrophobicContact CG-CG 4.45Å; R93-L97 WeakPolarHBondContact O-CB 3.36Å; R93-L97 VanDerWaalsContact O-CG 3.27Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 3.32Å
94	E	93.6	Very high	93.6	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-54.9	-50.4	175.5	170.9	-178.9	168.2	0	0	111.3	K83 K90 A91 L97 H98 F196 G197	K83-E94 WeakPolarHBondContact CE-OE1 3.38Å; K83-E94 IonicContact NZ-OE1 3.71Å; K83-E94 PolarHBondContact NZ-OE1 3.44Å; K90-E94 PolarHBondContact O-N 2.98Å; A91-E94 PolarHBondContact O-N 2.84Å; E94-L97 PolarHBondContact O-N 3.31Å; E94-H98 WeakPolarHBondContact O-CB 3.4Å; E94-H98 PolarHBondContact O-N 3.34Å; E94-F196 HydrophobicContact CG-CB 4.06Å; E94-G197 WeakPolarHBondContact OE2-CA 3.42Å
95	V	94.9	Very high	93.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-45	179.5	174.1	0	0	0	0	111.3	L42 L85 A91 R92 R93 L97 H98 C99 V113 L124 M126	L42-V95 HydrophobicContact CD1-CG1 4.1Å; L42-V95 HydrophobicContact CD2-CB 4.35Å; L42-V95 HydrophobicContact CD2-CG1 3.76Å; L85-V95 HydrophobicContact CD1-CG2 3.78Å; A91-V95 VanDerWaalsContact O-CG2 3.31Å; A91-V95 WeakPolarHBondContact O-CG2 3.49Å; A91-V95 PolarHBondContact O-N 2.95Å; R92-V95 PolarHBondContact O-N 3.05Å; R93-V95 VanDerWaalsContact C-N 3.35Å; R93-V95 PolarHBondContact O-N 3.32Å; V95-L97 PolarHBondContact O-N 3.11Å; V95-H98 PolarHBondContact O-N 2.94Å; V95-C99 VanDerWaalsContact O-CB 3.29Å; V95-C99 WeakPolarHBondContact O-CB 3.38Å; V95-C99 PolarHBondContact O-N 2.77Å; V95-C99 PolarHBondContact O-SG 3.13Å; V95-V113 HydrophobicContact CG1-CB 4.4Å; V95-V113 HydrophobicContact CG1-CG1 3.79Å; V95-V113 HydrophobicContact CG1-CG2 3.72Å; V95-L124 HydrophobicContact CG2-CD1 4.24Å; V95-M126 HydrophobicContact CG1-SD 4.44Å; V95-M126 HydrophobicContact CG2-SD 4.25Å
96	E	94.7	Very high	93.8	Very high	62 Å²	62	47.4 Å²	47.4	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-57.5	-49.6	178	-170.6	-165.7	145.2	0	0	111.1	F40 L42 R92 R93 L100 K201	F40-E96 HydrophobicContact CD1-CG 3.81Å; F40-E96 HydrophobicContact CE1-CB 4.43Å; F40-E96 HydrophobicContact CE1-CG 3.61Å; L42-E96 HydrophobicContact CD2-CB 4.27Å; R92-E96 WeakPolarHBondContact O-CB 3.39Å; R92-E96 PolarHBondContact O-N 3.32Å; R93-E96 PolarHBondContact O-N 3.32Å; E96-L100 WeakPolarHBondContact O-CB 3.35Å; E96-L100 PolarHBondContact O-N 2.98Å; E96-K201 IonicContact OE1-NZ 2.74Å; E96-K201 PolarHBondContact OE1-NZ 2.91Å
97	L	94.5	Very high	94	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-38.7	-178.2	-65.1	179.3	0	0	0	112.7	R93 E94 V95 L100 A101 V172 F196 A199 K201	R93-L97 HydrophobicContact CG-CD1 4.06Å; R93-L97 HydrophobicContact CG-CG 4.45Å; R93-L97 WeakPolarHBondContact O-CB 3.36Å; R93-L97 VanDerWaalsContact O-CG 3.27Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 3.32Å; E94-L97 PolarHBondContact O-N 3.31Å; V95-L97 PolarHBondContact O-N 3.11Å; L97-L100 HydrophobicContact CD2-CD2 4.39Å; L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 3.36Å; L97-V172 HydrophobicContact CD1-CG1 4.39Å; L97-V172 HydrophobicContact CD2-CG1 4.48Å; L97-V172 HydrophobicContact CD2-CG2 3.89Å; L97-F196 HydrophobicContact CB-CD1 4.05Å; L97-A199 HydrophobicContact CD1-CB 3.9Å; L97-A199 WeakPolarHBondContact CD1-O 3.36Å; L97-K201 HydrophobicContact CD2-CD 4.38Å; L97-K201 HydrophobicContact CD2-CG 3.73Å
98	H	95.7	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.7	-45.9	177.4	-162.6	169.3	0	0	0	111	E94 V95 L100 A101 S102 V108 V110 M126 F196	E94-H98 WeakPolarHBondContact O-CB 3.4Å; E94-H98 PolarHBondContact O-N 3.34Å; V95-H98 PolarHBondContact O-N 2.94Å; H98-L100 VanDerWaalsContact C-N 3.33Å; H98-L100 PolarHBondContact O-N 2.91Å; H98-A101 CarbonylContact O-C 3.57Å; H98-A101 PolarHBondContact O-N 2.98Å; H98-A101 VanDerWaalsContact O-N 3.14Å; H98-S102 WeakPolarHBondContact O-CB 3.35Å; H98-S102 PolarHBondContact O-N 3.25Å; H98-V108 PolarHBondContact CD2-O 3.07Å; H98-V108 PolarHBondContact NE2-O 3.46Å; H98-V110 HydrophobicContact CB-CG2 4.38Å; H98-M126 HydrophobicContact CB-SD 4.47Å; H98-M126 VanDerWaalsContact ND1-CE 3.27Å; H98-M126 WeakPolarHBondContact ND1-CE 3.15Å; H98-F196 HydrophobicContact CB-CB 4.04Å; H98-F196 HydrophobicContact CB-CD1 4.25Å; H98-F196 HydrophobicContact CB-CD2 3.98Å; H98-F196 HydrophobicContact CB-CG 3.83Å; H98-F196 AromaticContact CD2-CD2 3.86Å; H98-F196 AromaticContact CD2-CE2 3.77Å; H98-F196 AromaticContact CG-CD2 3.63Å; H98-F196 AromaticContact ND1-CD2 3.86Å
99	C	96	Very high	94.3	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-42.7	175.2	-72.8	0	0	0	0	112.1	F33 F40 V95 A101 S102	F33-C99 HydrophobicContact CB-CB 4.44Å; F33-C99 HydrophobicContact CD1-CB 4.03Å; F33-C99 VanDerWaalsContact CD1-SG 3.57Å; F33-C99 HydrophobicContact CD2-CB 3.92Å; F33-C99 HydrophobicContact CE1-CB 4.29Å; F33-C99 HydrophobicContact CE2-CB 4.14Å; F33-C99 HydrophobicContact CG-CB 3.86Å; F33-C99 HydrophobicContact CZ-CB 4.32Å; F40-C99 HydrophobicContact CE1-CB 4.43Å; F40-C99 HydrophobicContact CE2-CB 4.16Å; F40-C99 HydrophobicContact CZ-CB 3.49Å; F40-C99 VanDerWaalsContact CZ-CB 3.49Å; V95-C99 VanDerWaalsContact O-CB 3.29Å; V95-C99 WeakPolarHBondContact O-CB 3.38Å; V95-C99 PolarHBondContact O-N 2.77Å; V95-C99 PolarHBondContact O-SG 3.13Å; C99-A101 VanDerWaalsContact C-N 3.26Å; C99-A101 PolarHBondContact O-N 3.47Å; C99-S102 VanDerWaalsContact O-CB 3.28Å; C99-S102 WeakPolarHBondContact O-CB 3.42Å; C99-S102 PolarHBondContact O-N 2.59Å
100	L	93.7	Very high	94.6	Very high	18 Å²	18	35.7 Å²	35.7	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-39.4	174.8	175.2	62.6	0	0	0	111.7	H35 F40 E96 L97 H98 M170	H35-L100 WeakPolarHBondContact CE1-CD1 3.5Å; F40-L100 HydrophobicContact CB-CD1 4.1Å; F40-L100 HydrophobicContact CD2-CB 4.47Å; F40-L100 HydrophobicContact CD2-CD1 4.14Å; F40-L100 HydrophobicContact CE2-CB 4.44Å; F40-L100 HydrophobicContact CG-CD1 4.08Å; F40-L100 HydrophobicContact CZ-CB 4.49Å; E96-L100 WeakPolarHBondContact O-CB 3.35Å; E96-L100 PolarHBondContact O-N 2.98Å; L97-L100 HydrophobicContact CD2-CD2 4.39Å; H98-L100 VanDerWaalsContact C-N 3.33Å; H98-L100 PolarHBondContact O-N 2.91Å; L100-M170 HydrophobicContact CD1-CE 3.3Å; L100-M170 HydrophobicContact CD2-CE 3.98Å; L100-M170 HydrophobicContact CG-CE 3.36Å
101	A	94.7	Very high	94.8	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-87.8	-6.3	-178.5	0	0	0	0	0	114.7	L97 H98 C99 S103 H104 I107 F166 L167 F196	L97-A101 WeakPolarHBondContact O-CB 3.4Å; L97-A101 PolarHBondContact O-N 3.36Å; H98-A101 CarbonylContact O-C 3.57Å; H98-A101 PolarHBondContact O-N 2.98Å; H98-A101 VanDerWaalsContact O-N 3.14Å; C99-A101 VanDerWaalsContact C-N 3.26Å; C99-A101 PolarHBondContact O-N 3.47Å; A101-S103 PolarHBondContact O-N 2.96Å; A101-H104 PolarHBondContact O-N 3.15Å; A101-I107 HydrophobicContact CB-CD1 3.82Å; A101-I107 HydrophobicContact CB-CG2 4.32Å; A101-F166 HydrophobicContact CB-CE1 4.25Å; A101-F166 WeakPolarHBondContact O-CE1 3.32Å; A101-L167 HydrophobicContact CB-CD2 3.49Å; A101-L167 VanDerWaalsContact CB-CD2 3.49Å; A101-F196 HydrophobicContact CB-CE1 3.84Å; A101-F196 HydrophobicContact CB-CZ 3.89Å
102	S	93.9	Very high	95	Very high	10 Å²	10	35.6 Å²	35.6	7%	0.07	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.6	-166.5	178.6	0	0	0	0	115.4	H98 C99 H104 K109 V110	H98-S102 WeakPolarHBondContact O-CB 3.35Å; H98-S102 PolarHBondContact O-N 3.25Å; C99-S102 VanDerWaalsContact O-CB 3.28Å; C99-S102 WeakPolarHBondContact O-CB 3.42Å; C99-S102 PolarHBondContact O-N 2.59Å; S102-H104 VanDerWaalsContact C-N 3.34Å; S102-K109 WeakPolarHBondContact OG-CA 3.03Å; S102-V110 PolarHBondContact OG-N 2.67Å; S102-V110 PolarHBondContact OG-O 2.94Å
103	S	91.7	Very high	95.2	Very high	103 Å²	103	31.7 Å²	31.7	72%	0.72	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.6	-179.2	57.9	0	0	0	0	113.4	A101	A101-S103 PolarHBondContact O-N 2.96Å
104	H	95.9	Very high	95.4	Very high	38 Å²	38	27.2 Å²	27.2	18%	0.176	13%	0.133	C	C	.	.	S	Bend	trans	-82.6	138	-175.6	-169.1	-93.7	0	0	0	112.8	A101 S102 N106 I107 C162 F166	A101-H104 PolarHBondContact O-N 3.15Å; S102-H104 VanDerWaalsContact C-N 3.34Å; H104-N106 VanDerWaalsContact C-N 3.27Å; H104-N106 PolarHBondContact CE1-OD1 3.46Å; H104-N106 PolarHBondContact ND1-N 3.36Å; H104-N106 VanDerWaalsContact ND1-N 3.18Å; H104-N106 PolarHBondContact O-N 3.16Å; H104-I107 HydrophobicContact CB-CB 4.27Å; H104-I107 HydrophobicContact CB-CD1 3.94Å; H104-I107 HydrophobicContact CB-CG1 4.07Å; H104-I107 PolarHBondContact O-N 2.91Å; H104-C162 VanDerWaalsContact CE1-C 3.46Å; H104-C162 PolarHBondContact CE1-O 3.45Å; H104-C162 PolarHBondContact NE2-O 3.28Å; H104-F166 HydrophobicContact CB-CD1 3.52Å; H104-F166 HydrophobicContact CB-CD2 4.35Å; H104-F166 HydrophobicContact CB-CE1 3.64Å; H104-F166 HydrophobicContact CB-CE2 4.48Å; H104-F166 HydrophobicContact CB-CG 3.88Å; H104-F166 HydrophobicContact CB-CZ 4.14Å; H104-F166 AromaticContact CD2-CD2 3.74Å; H104-F166 AromaticContact CD2-CG 3.55Å; H104-F166 AromaticContact CG-CD1 3.9Å; H104-F166 AromaticContact CG-CG 3.8Å
105	R	95.9	Very high	95.5	Very high	127 Å²	127	28.9 Å²	28.9	48%	0.479	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.8	-175.2	69.6	176.4	-70.6	-85.5	7.6	114.4	I107 D159 V190 K192	R105-I107 VanDerWaalsContact C-N 3.34Å; R105-D159 IonicContact CZ-OD1 3.17Å; R105-D159 IonicContact NH1-OD1 3.62Å; R105-D159 PolarHBondContact NH1-OD1 2.95Å; R105-D159 IonicContact NH1-OD2 3.94Å; R105-V190 VanDerWaalsContact NH2-CG2 3.3Å; R105-K192 WeakPolarHBondContact O-CD 3.48Å; R105-K192 WeakPolarHBondContact O-CE 3.24Å
106	N	96.9	Very high	95.5	Very high	2 Å²	2	30 Å²	30	1%	0.011	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	19.2	179.5	-59.4	102.9	0	0	0	112.4	H104 D159 A163 V190 I191 K192 L193	H104-N106 VanDerWaalsContact C-N 3.27Å; H104-N106 PolarHBondContact CE1-OD1 3.46Å; H104-N106 PolarHBondContact ND1-N 3.36Å; H104-N106 VanDerWaalsContact ND1-N 3.18Å; H104-N106 PolarHBondContact O-N 3.16Å; N106-D159 WeakPolarHBondContact CB-O 3.39Å; N106-D159 VanDerWaalsContact CG-O 3.27Å; N106-D159 VanDerWaalsContact ND2-CB 3.31Å; N106-D159 WeakPolarHBondContact ND2-CB 3.33Å; N106-D159 PolarHBondContact ND2-OD1 3.33Å; N106-D159 PolarHBondContact ND2-OD2 3.16Å; N106-A163 HydrophobicContact CB-CB 3.83Å; N106-V190 VanDerWaalsContact ND2-CG1 3.26Å; N106-V190 WeakPolarHBondContact ND2-CG1 3.49Å; N106-I191 PolarHBondContact ND2-O 3.35Å; N106-K192 CarbonylContact O-C 3.17Å; N106-K192 VanDerWaalsContact O-CA 3.26Å; N106-K192 WeakPolarHBondContact O-CA 3.4Å; N106-L193 PolarHBondContact O-N 3.25Å
107	I	96.9	Very high	95.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-124.5	138.8	173.4	-63.2	-179.5	0	0	0	107.8	A101 H104 R105 K109 A163 F166 L167 L193 F196	A101-I107 HydrophobicContact CB-CD1 3.82Å; A101-I107 HydrophobicContact CB-CG2 4.32Å; H104-I107 HydrophobicContact CB-CB 4.27Å; H104-I107 HydrophobicContact CB-CD1 3.94Å; H104-I107 HydrophobicContact CB-CG1 4.07Å; H104-I107 PolarHBondContact O-N 2.91Å; R105-I107 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 3.06Å; I107-A163 HydrophobicContact CG1-CB 4.12Å; I107-F166 HydrophobicContact CD1-CD1 3.75Å; I107-F166 HydrophobicContact CD1-CE1 4.3Å; I107-L167 HydrophobicContact CD1-CD2 3.83Å; I107-L167 HydrophobicContact CD1-CG 3.98Å; I107-L193 HydrophobicContact CG1-CB 4.49Å; I107-F196 HydrophobicContact CD1-CZ 4.38Å; I107-F196 HydrophobicContact CG2-CE2 3.95Å; I107-F196 HydrophobicContact CG2-CZ 3.89Å
108	V	95.9	Very high	95.1	Very high	2 Å²	2	40 Å²	40	1%	0.012	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-60.7	122.8	-179.5	169	0	0	0	0	109.8	H98 V110 M128 E129 M131 V182 K192 L193	H98-V108 PolarHBondContact CD2-O 3.07Å; H98-V108 PolarHBondContact NE2-O 3.46Å; V108-V110 PolarHBondContact O-N 2.92Å; V108-M128 HydrophobicContact CG1-CB 4.06Å; V108-M128 HydrophobicContact CG1-SD 4.21Å; V108-E129 WeakPolarHBondContact CA-OE1 3.21Å; V108-E129 HydrophobicContact CB-CG 4.49Å; V108-E129 HydrophobicContact CG1-CG 3.74Å; V108-M131 HydrophobicContact CG2-CE 4.06Å; V108-M131 HydrophobicContact CG2-CG 3.97Å; V108-M131 HydrophobicContact CG2-SD 3.96Å; V108-V182 HydrophobicContact CG2-CG2 4.08Å; V108-K192 HydrophobicContact CG2-CB 4.01Å; V108-L193 PolarHBondContact N-O 3.38Å
109	K	96.3	Very high	94.7	Very high	97 Å²	97	44.8 Å²	44.8	42%	0.422	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.9	127.5	-177.8	-173.7	171.2	-177.9	174.4	0	111.3	S102 I107 Y111 M128 E129	S102-K109 WeakPolarHBondContact OG-CA 3.03Å; I107-K109 PolarHBondContact O-N 3.06Å; K109-Y111 HydrophobicContact CB-CE2 4.29Å; K109-Y111 HydrophobicContact CD-CE1 4.26Å; K109-Y111 HydrophobicContact CD-CE2 4.14Å; K109-Y111 HydrophobicContact CG-CD2 4.4Å; K109-Y111 HydrophobicContact CG-CE2 4.07Å; K109-M128 CarbonylContact O-C 3.45Å; K109-M128 WeakPolarHBondContact O-CA 3.12Å; K109-E129 HydrophobicContact CB-CB 4.47Å; K109-E129 HydrophobicContact CB-CG 4.17Å; K109-E129 PolarHBondContact N-OE1 3.34Å; K109-E129 PolarHBondContact O-N 3.29Å
110	V	96.8	Very high	94.4	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132	165.4	-172.2	0	0	0	0	108.5	F33 H98 S102 V108 V113 M126 M128	F33-V110 HydrophobicContact CE1-CB 4.29Å; F33-V110 HydrophobicContact CE1-CG1 3.89Å; F33-V110 HydrophobicContact CZ-CB 4.17Å; F33-V110 HydrophobicContact CZ-CG1 4.29Å; F33-V110 WeakPolarHBondContact CZ-O 3.39Å; H98-V110 HydrophobicContact CB-CG2 4.38Å; S102-V110 PolarHBondContact OG-N 2.67Å; S102-V110 PolarHBondContact OG-O 2.94Å; V108-V110 PolarHBondContact O-N 2.92Å; V110-V113 HydrophobicContact CG1-CG2 4.12Å; V110-M126 HydrophobicContact CG1-CG 3.56Å; V110-M126 HydrophobicContact CG1-SD 4.11Å; V110-M126 HydrophobicContact CG2-CE 4.48Å; V110-M126 HydrophobicContact CG2-CG 4.18Å; V110-M126 HydrophobicContact CG2-SD 3.84Å; V110-M128 HydrophobicContact CG2-CG 4.46Å
111	Y	95.5	Very high	94.3	Very high	67 Å²	67	50.9 Å²	50.9	26%	0.263	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-54.9	176.7	-72.6	-95.7	0	0	0	110.9	F80 K109 V127 E129	F80-Y111 AromaticContact CD1-CD2 3.9Å; F80-Y111 HydrophobicContact CD1-CD2 3.9Å; F80-Y111 HydrophobicContact CD1-CE2 4.04Å; F80-Y111 HydrophobicContact CD1-CG 4.32Å; F80-Y111 HydrophobicContact CE1-CD1 4.01Å; F80-Y111 AromaticContact CE1-CD2 3.8Å; F80-Y111 HydrophobicContact CE1-CD2 3.8Å; F80-Y111 AromaticContact CE1-CE1 3.97Å; F80-Y111 HydrophobicContact CE1-CE1 3.97Å; F80-Y111 AromaticContact CE1-CE2 3.79Å; F80-Y111 HydrophobicContact CE1-CE2 3.79Å; F80-Y111 AromaticContact CE1-CG 3.9Å; F80-Y111 HydrophobicContact CE1-CG 3.9Å; F80-Y111 AromaticContact CE1-CZ 3.86Å; K109-Y111 HydrophobicContact CB-CE2 4.29Å; K109-Y111 HydrophobicContact CD-CE1 4.26Å; K109-Y111 HydrophobicContact CD-CE2 4.14Å; K109-Y111 HydrophobicContact CG-CD2 4.4Å; K109-Y111 HydrophobicContact CG-CE2 4.07Å; Y111-V127 PolarHBondContact N-O 3.15Å; Y111-E129 HydrophobicContact CE2-CB 3.93Å
112	N	95.5	Very high	94.3	Very high	31 Å²	31	57 Å²	57	17%	0.166	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151	-176.7	-72	-21.7	0	0	0	111	S32 Y53 Y114 V127	S32-N112 VanDerWaalsContact OG-CA 3.32Å; S32-N112 WeakPolarHBondContact OG-CA 3.34Å; Y53-N112 PolarHBondContact OH-ND2 3.35Å; N112-Y114 HydrophobicContact CB-CD2 4.32Å; N112-Y114 HydrophobicContact CB-CE2 3.57Å; N112-Y114 PolarHBondContact ND2-OH 3.29Å; N112-V127 HydrophobicContact CB-CB 4.29Å; N112-V127 HydrophobicContact CB-CG2 4.35Å; N112-V127 PolarHBondContact N-O 2.93Å; N112-V127 PolarHBondContact O-N 2.91Å
113	V	97.2	Very high	94.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.9	169.6	-173.9	0	0	0	0	108.5	S32 F33 L42 P44 H45 V95 V110 L125 M126	S32-V113 WeakPolarHBondContact CB-O 3.32Å; S32-V113 PolarHBondContact OG-N 3.04Å; F33-V113 HydrophobicContact CD1-CG2 4.35Å; L42-V113 HydrophobicContact CD1-CB 4.31Å; L42-V113 HydrophobicContact CD1-CG2 4.09Å; P44-V113 CarbonylContact C-O 3.52Å; P44-V113 WeakPolarHBondContact CA-O 3.08Å; P44-V113 HydrophobicContact CB-CB 4.41Å; P44-V113 HydrophobicContact CB-CG1 3.95Å; P44-V113 HydrophobicContact CG-CG1 3.99Å; H45-V113 PolarHBondContact N-O 3.5Å; V95-V113 HydrophobicContact CG1-CB 4.4Å; V95-V113 HydrophobicContact CG1-CG1 3.79Å; V95-V113 HydrophobicContact CG1-CG2 3.72Å; V110-V113 HydrophobicContact CG1-CG2 4.12Å; V113-L125 CarbonylContact C-O 3.37Å; V113-L125 WeakPolarHBondContact CA-O 3.28Å; V113-M126 HydrophobicContact CG2-CG 4.44Å
114	Y	97.2	Very high	94.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148	172.6	-59.8	-107.1	0	0	0	109.9	H45 K47 I49 D52 Y53 N112 L124 L125 V127	H45-Y114 HydrophobicContact CB-CD1 3.41Å; H45-Y114 VanDerWaalsContact CB-CD1 3.41Å; H45-Y114 HydrophobicContact CB-CE1 3.63Å; H45-Y114 HydrophobicContact CB-CG 4.02Å; H45-Y114 AromaticContact CD2-CE1 3.98Å; H45-Y114 AromaticContact CD2-CZ 3.91Å; H45-Y114 CarbonylContact O-C 3.55Å; H45-Y114 VanDerWaalsContact O-CA 3.27Å; H45-Y114 WeakPolarHBondContact O-CA 3.13Å; K47-Y114 HydrophobicContact CG-CD1 4.49Å; K47-Y114 HydrophobicContact CG-CE1 4.18Å; K47-Y114 WeakPolarHBondContact O-CD1 3.16Å; I49-Y114 HydrophobicContact CB-CD1 4.13Å; I49-Y114 HydrophobicContact CB-CD2 4.3Å; I49-Y114 HydrophobicContact CB-CG 4.04Å; I49-Y114 HydrophobicContact CD1-CD2 3.94Å; I49-Y114 HydrophobicContact CD1-CE2 4.33Å; I49-Y114 HydrophobicContact CD1-CG 4.44Å; I49-Y114 HydrophobicContact CG1-CD1 4.47Å; I49-Y114 HydrophobicContact CG1-CD2 3.91Å; I49-Y114 HydrophobicContact CG1-CE2 4.05Å; I49-Y114 HydrophobicContact CG1-CG 4.17Å; D52-Y114 WeakPolarHBondContact CB-OH 3.33Å; D52-Y114 WeakPolarHBondContact OD2-CE1 3.2Å; D52-Y114 PolarHBondContact OD2-OH 2.94Å; Y53-Y114 HydrophobicContact CD2-CE2 4.34Å; Y53-Y114 HydrophobicContact CE2-CE2 4.08Å; Y53-Y114 WeakPolarHBondContact CE2-OH 3.15Å; N112-Y114 HydrophobicContact CB-CD2 4.32Å; N112-Y114 HydrophobicContact CB-CE2 3.57Å; N112-Y114 PolarHBondContact ND2-OH 3.29Å; Y114-L124 WeakPolarHBondContact O-CA 3.41Å; Y114-L125 PolarHBondContact N-O 2.84Å; Y114-L125 PolarHBondContact O-N 3.43Å; Y114-V127 HydrophobicContact CD2-CG2 4.29Å; Y114-V127 HydrophobicContact CE2-CG2 3.99Å
115	E	96.4	Very high	94.6	Very high	38 Å²	38	51.4 Å²	51.4	18%	0.178	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.6	168	-170.8	-165.2	121.4	0	0	108.1	P44 H45 R92 R122 L124	P44-E115 HydrophobicContact CB-CB 3.83Å; H45-E115 PolarHBondContact O-N 3.17Å; R92-E115 IonicContact CZ-OE2 2.75Å; R92-E115 IonicContact NH1-OE2 2.98Å; R92-E115 IonicContact NH2-OE2 3.22Å; R92-E115 PolarHBondContact NH2-OE2 3.15Å; E115-R122 IonicContact OE1-CZ 2.85Å; E115-R122 VanDerWaalsContact OE1-CZ 3.27Å; E115-R122 IonicContact OE1-NE 3.71Å; E115-R122 PolarHBondContact OE1-NE 3.35Å; E115-R122 VanDerWaalsContact OE1-NE 3.17Å; E115-R122 IonicContact OE1-NH2 2.8Å; E115-R122 PolarHBondContact OE1-NH2 2.98Å; E115-R122 IonicContact OE2-NH2 3.14Å; E115-R122 PolarHBondContact OE2-NH2 2.99Å; E115-L124 HydrophobicContact CB-CD2 4.28Å; E115-L124 HydrophobicContact CG-CD2 4.18Å
116	N	95.3	Very high	94.6	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.134	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	167.5	-176.7	-72.7	177.6	0	0	0	110.1	T46 K47 P48 I49 C123 L125	T46-N116 PolarHBondContact O-ND2 2.85Å; K47-N116 PolarHBondContact O-ND2 2.72Å; P48-N116 WeakPolarHBondContact CA-OD1 3.39Å; I49-N116 PolarHBondContact N-OD1 3.14Å; N116-C123 PolarHBondContact N-O 3.15Å; N116-C123 PolarHBondContact O-N 3.29Å; N116-L125 HydrophobicContact CB-CD1 3.94Å
117	T	93.8	Very high	94.6	Very high	96 Å²	96	45.3 Å²	45.3	59%	0.589	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	131.5	174.4	-60.1	0	0	0	0	110	L121	T117-L121 CarbonylContact C-O 3.52Å; T117-L121 VanDerWaalsContact CA-O 3.31Å; T117-L121 WeakPolarHBondContact CA-O 3.25Å
118	Y	86.7	Confident	94.6	Very high	175 Å²	175	45.6 Å²	45.6	69%	0.686	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.1	174	-175.9	-100.2	0	0	0	109.7	G120 L121	Y118-G120 PolarHBondContact O-N 3.36Å; Y118-L121 PolarHBondContact N-O 3.2Å; Y118-L121 PolarHBondContact O-N 2.87Å
119	S	87.1	Confident	94.5	Very high	102 Å²	102	46.9 Å²	46.9	71%	0.713	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.7	-178.1	-52.9	0	0	0	0	113.6	L121	S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.48Å
120	G	89.1	Confident	94.4	Very high	69 Å²	69	43.3 Å²	43.3	71%	0.711	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-1.5	-179.3	0	0	0	0	0	115.7	Y118	Y118-G120 PolarHBondContact O-N 3.36Å
121	L	91.9	Very high	94.3	Very high	80 Å²	80	45 Å²	45	42%	0.419	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.8	176.8	-62.5	177	0	0	0	110.8	R86 T117 Y118 S119	R86-L121 VanDerWaalsContact NH2-CD2 3.31Å; T117-L121 CarbonylContact C-O 3.52Å; T117-L121 VanDerWaalsContact CA-O 3.31Å; T117-L121 WeakPolarHBondContact CA-O 3.25Å; Y118-L121 PolarHBondContact N-O 3.2Å; Y118-L121 PolarHBondContact O-N 2.87Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.48Å
122	R	94.6	Very high	94.1	Very high	130 Å²	130	46.8 Å²	46.8	49%	0.491	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132	169.7	-71.9	176.2	74.4	-168.2	2.9	109.6	D87 E115	D87-R122 HydrophobicContact CB-CB 3.79Å; D87-R122 WeakPolarHBondContact CB-O 3.05Å; D87-R122 PolarHBondContact N-O 3.49Å; D87-R122 IonicContact OD2-CZ 2.73Å; D87-R122 IonicContact OD2-NE 3.59Å; D87-R122 IonicContact OD2-NH2 3.42Å; E115-R122 IonicContact OE1-CZ 2.85Å; E115-R122 VanDerWaalsContact OE1-CZ 3.27Å; E115-R122 IonicContact OE1-NE 3.71Å; E115-R122 PolarHBondContact OE1-NE 3.35Å; E115-R122 VanDerWaalsContact OE1-NE 3.17Å; E115-R122 IonicContact OE1-NH2 2.8Å; E115-R122 PolarHBondContact OE1-NH2 2.98Å; E115-R122 IonicContact OE2-NH2 3.14Å; E115-R122 PolarHBondContact OE2-NH2 2.99Å
123	C	95	Very high	93.8	Very high	15 Å²	15	45.3 Å²	45.3	10%	0.101	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.8	-178.6	-62.8	0	0	0	0	110.1	L85 N116 L125	L85-C123 CarbonylContact O-C 3.52Å; L85-C123 WeakPolarHBondContact O-CA 3.35Å; L85-C123 WeakPolarHBondContact O-CB 3.18Å; N116-C123 PolarHBondContact N-O 3.15Å; N116-C123 PolarHBondContact O-N 3.29Å; C123-L125 HydrophobicContact CB-CD2 4.16Å
124	L	95.7	Very high	93.5	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.4	165.7	-61.8	170.3	0	0	0	108.2	P44 L85 D87 A91 R92 V95 Y114 E115	P44-L124 HydrophobicContact CG-CD2 4.49Å; L85-L124 HydrophobicContact CB-CB 4.36Å; L85-L124 PolarHBondContact N-O 3.04Å; L85-L124 PolarHBondContact O-N 2.75Å; D87-L124 HydrophobicContact CB-CG 4.16Å; A91-L124 HydrophobicContact CB-CD1 4.18Å; R92-L124 HydrophobicContact CB-CD1 4.48Å; R92-L124 HydrophobicContact CG-CD1 3.65Å; V95-L124 HydrophobicContact CG2-CD1 4.24Å; Y114-L124 WeakPolarHBondContact O-CA 3.41Å; E115-L124 HydrophobicContact CB-CD2 4.28Å; E115-L124 HydrophobicContact CG-CD2 4.18Å
125	L	96.1	Very high	93.2	Very high	17 Å²	17	51.2 Å²	51.2	9%	0.089	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	109.9	-175.8	-53.7	-179.7	0	0	0	108.6	I49 L82 V84 V113 Y114 N116 C123	I49-L125 HydrophobicContact CB-CD1 3.95Å; I49-L125 HydrophobicContact CD1-CB 4.05Å; I49-L125 HydrophobicContact CD1-CD1 4.06Å; I49-L125 HydrophobicContact CG2-CD1 3.62Å; L82-L125 HydrophobicContact CD1-CB 4Å; V84-L125 HydrophobicContact CB-CD2 4.25Å; V84-L125 HydrophobicContact CG1-CD2 3.81Å; V84-L125 HydrophobicContact CG2-CD2 4.03Å; V113-L125 CarbonylContact C-O 3.37Å; V113-L125 WeakPolarHBondContact CA-O 3.28Å; Y114-L125 PolarHBondContact N-O 2.84Å; Y114-L125 PolarHBondContact O-N 3.43Å; N116-L125 HydrophobicContact CB-CD1 3.94Å; C123-L125 HydrophobicContact CB-CD2 4.16Å
126	M	96.3	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112	-175.2	-169.1	165.6	74.3	0	0	110.2	L82 K83 V95 H98 V110 V113 M128	L82-M126 WeakPolarHBondContact CA-O 3.18Å; K83-M126 HydrophobicContact CB-CB 4.3Å; K83-M126 HydrophobicContact CB-CE 4.42Å; K83-M126 HydrophobicContact CD-CE 4.02Å; K83-M126 PolarHBondContact N-O 2.7Å; K83-M126 PolarHBondContact O-N 2.58Å; V95-M126 HydrophobicContact CG1-SD 4.44Å; V95-M126 HydrophobicContact CG2-SD 4.25Å; H98-M126 HydrophobicContact CB-SD 4.47Å; H98-M126 VanDerWaalsContact ND1-CE 3.27Å; H98-M126 WeakPolarHBondContact ND1-CE 3.15Å; V110-M126 HydrophobicContact CG1-CG 3.56Å; V110-M126 HydrophobicContact CG1-SD 4.11Å; V110-M126 HydrophobicContact CG2-CE 4.48Å; V110-M126 HydrophobicContact CG2-CG 4.18Å; V110-M126 HydrophobicContact CG2-SD 3.84Å; V113-M126 HydrophobicContact CG2-CG 4.44Å; M126-M128 HydrophobicContact CE-CG 4Å; M126-M128 HydrophobicContact CE-SD 3.31Å; M126-M128 WeakPolarHBondContact CE-SD 3.04Å; M126-M128 HydrophobicContact CG-CG 3.91Å; M126-M128 HydrophobicContact CG-SD 4.45Å
127	V	97.1	Very high	92.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.6	174.2	-176.2	0	0	0	0	108.3	I49 Y53 F80 A81 L82 Y111 N112 Y114	I49-V127 HydrophobicContact CD1-CG2 4.01Å; Y53-V127 HydrophobicContact CD1-CG1 4.41Å; Y53-V127 HydrophobicContact CD2-CG2 4.28Å; Y53-V127 HydrophobicContact CE1-CG1 3.78Å; Y53-V127 HydrophobicContact CE2-CG1 4.47Å; Y53-V127 HydrophobicContact CE2-CG2 4.06Å; F80-V127 HydrophobicContact CB-CG1 3.86Å; F80-V127 HydrophobicContact CD1-CG1 3.99Å; F80-V127 HydrophobicContact CG-CG1 3.95Å; A81-V127 CarbonylContact O-C 3.44Å; A81-V127 WeakPolarHBondContact O-CA 3.43Å; L82-V127 HydrophobicContact CD1-CG2 4.07Å; Y111-V127 PolarHBondContact N-O 3.15Å; N112-V127 HydrophobicContact CB-CB 4.29Å; N112-V127 HydrophobicContact CB-CG2 4.35Å; N112-V127 PolarHBondContact N-O 2.93Å; N112-V127 PolarHBondContact O-N 2.91Å; Y114-V127 HydrophobicContact CD2-CG2 4.29Å; Y114-V127 HydrophobicContact CE2-CG2 3.99Å
128	M	96.6	Very high	92.2	Very high	8 Å²	8	46 Å²	46	4%	0.039	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	164.7	-175.2	-56.9	178.7	-62	0	0	111	V68 F80 A81 K83 V108 K109 V110 M126	V68-M128 HydrophobicContact CG1-CE 4.35Å; F80-M128 WeakPolarHBondContact CB-O 3.21Å; A81-M128 HydrophobicContact CB-CB 4.49Å; A81-M128 HydrophobicContact CB-CE 4.28Å; A81-M128 PolarHBondContact N-O 3.37Å; A81-M128 PolarHBondContact O-N 3.2Å; K83-M128 HydrophobicContact CB-CE 3.74Å; K83-M128 HydrophobicContact CB-SD 4.49Å; V108-M128 HydrophobicContact CG1-CB 4.06Å; V108-M128 HydrophobicContact CG1-SD 4.21Å; K109-M128 CarbonylContact O-C 3.45Å; K109-M128 WeakPolarHBondContact O-CA 3.12Å; V110-M128 HydrophobicContact CG2-CG 4.46Å; M126-M128 HydrophobicContact CE-CG 4Å; M126-M128 HydrophobicContact CE-SD 3.31Å; M126-M128 WeakPolarHBondContact CE-SD 3.04Å; M126-M128 HydrophobicContact CG-CG 3.91Å; M126-M128 HydrophobicContact CG-SD 4.45Å
129	E	94.7	Very high	92.2	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.131	23%	0.228	C	C	.	.			trans	-57.2	144.1	165.5	61.1	-179.2	147.3	0	0	111.1	V108 K109 Y111 M131 K192	V108-E129 WeakPolarHBondContact CA-OE1 3.21Å; V108-E129 HydrophobicContact CB-CG 4.49Å; V108-E129 HydrophobicContact CG1-CG 3.74Å; K109-E129 HydrophobicContact CB-CB 4.47Å; K109-E129 HydrophobicContact CB-CG 4.17Å; K109-E129 PolarHBondContact N-OE1 3.34Å; K109-E129 PolarHBondContact O-N 3.29Å; Y111-E129 HydrophobicContact CE2-CB 3.93Å; E129-M131 HydrophobicContact CG-SD 3.7Å; E129-K192 WeakPolarHBondContact OE1-CD 3.47Å; E129-K192 IonicContact OE1-NZ 2.75Å; E129-K192 PolarHBondContact OE1-NZ 3Å; E129-K192 IonicContact OE2-NZ 3.19Å; E129-K192 PolarHBondContact OE2-NZ 2.9Å
130	C	93.9	Very high	92.3	Very high	23 Å²	23	35.9 Å²	35.9	16%	0.155	20%	0.196	C	C	.	.			trans	-84.4	124.1	175.3	-170.7	0	0	0	0	109.6	K79	K79-C130 VanDerWaalsContact CE-SG 3.51Å; K79-C130 HydrophobicContact CG-CB 4.41Å
131	M	93.7	Very high	92	Very high	39 Å²	39	35.5 Å²	35.5	19%	0.192	18%	0.175	C	C	.	.			trans	-97.5	104	-179	-56.6	-57.2	-74.9	0	0	109.5	V108 E129 V182 A184 K192	V108-M131 HydrophobicContact CG2-CE 4.06Å; V108-M131 HydrophobicContact CG2-CG 3.97Å; V108-M131 HydrophobicContact CG2-SD 3.96Å; E129-M131 HydrophobicContact CG-SD 3.7Å; M131-V182 HydrophobicContact CB-CB 4.35Å; M131-V182 HydrophobicContact CB-CG2 4.19Å; M131-V182 HydrophobicContact CE-CB 4.44Å; M131-V182 HydrophobicContact CE-CG2 3.76Å; M131-V182 HydrophobicContact CG-CG2 3.91Å; M131-A184 HydrophobicContact CE-CB 3.9Å; M131-A184 HydrophobicContact SD-CB 4.48Å; M131-K192 HydrophobicContact CE-CB 3.79Å; M131-K192 HydrophobicContact CE-CD 3.73Å; M131-K192 HydrophobicContact CE-CG 3.78Å; M131-K192 HydrophobicContact SD-CD 4.33Å
132	E	91.4	Very high	91.6	Very high	103 Å²	103	38.8 Å²	38.8	48%	0.481	18%	0.182	S	C	.	.			trans	-97.3	-13.7	-172.2	-58.6	-166.6	151.5	0	0	113.3	K79 G134 A184 T186	K79-E132 WeakPolarHBondContact CE-OE1 3.42Å; K79-E132 IonicContact NZ-OE1 3.61Å; K79-E132 PolarHBondContact NZ-OE1 3.11Å; E132-G134 VanDerWaalsContact C-N 3.27Å; E132-G134 PolarHBondContact O-N 3.38Å; E132-A184 PolarHBondContact N-O 3.12Å; E132-T186 VanDerWaalsContact O-CG2 3.26Å; E132-T186 WeakPolarHBondContact O-CG2 3.34Å
133	G	90.4	Very high	91	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-72	-20	178.7	0	0	0	0	0	114.2	R142 F183 A185	G133-R142 PolarHBondContact O-NH2 2.89Å; G133-F183 VanDerWaalsContact CA-O 3.25Å; G133-F183 WeakPolarHBondContact CA-O 3.39Å; G133-F183 PolarHBondContact N-O 3.35Å; G133-A185 WeakPolarHBondContact CA-O 3.49Å
134	G	90.1	Very high	89.9	Confident	23 Å²	23	39.5 Å²	39.5	24%	0.237	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.6	179.1	-177	0	0	0	0	0	113.2	E132 F183	E132-G134 VanDerWaalsContact C-N 3.27Å; E132-G134 PolarHBondContact O-N 3.38Å; G134-F183 PolarHBondContact O-N 3.15Å
135	E	90.4	Very high	88.8	Confident	102 Å²	102	43.7 Å²	43.7	48%	0.477	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	151.8	-178.8	-62.7	170.3	-176	0	0	112.4	F137 S138 R139 L181 V182	E135-F137 PolarHBondContact O-N 2.89Å; E135-S138 PolarHBondContact O-N 3.4Å; E135-R139 WeakPolarHBondContact O-CB 3.43Å; E135-R139 PolarHBondContact O-N 3.46Å; E135-L181 WeakPolarHBondContact CA-O 3.39Å; E135-V182 HydrophobicContact CG-CG1 4.22Å
136	L	91.7	Very high	88.1	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-47.9	-59.8	-176	172.5	56.7	0	0	0	113.4	R139 I140 I156 L181 F183 I191 V242 L246	L136-R139 PolarHBondContact O-N 3.33Å; L136-I140 HydrophobicContact CD1-CD1 3.76Å; L136-I140 HydrophobicContact CG-CD1 4.26Å; L136-I140 WeakPolarHBondContact O-CG1 3.25Å; L136-I140 PolarHBondContact O-N 2.96Å; L136-I140 VanDerWaalsContact O-N 3.16Å; L136-I156 HydrophobicContact CD1-CD1 4.27Å; L136-I156 HydrophobicContact CD1-CG2 4.06Å; L136-L181 HydrophobicContact CB-CB 3.98Å; L136-L181 HydrophobicContact CD2-CB 4.26Å; L136-L181 HydrophobicContact CD2-CD1 3.73Å; L136-L181 PolarHBondContact N-O 2.96Å; L136-F183 HydrophobicContact CB-CE2 4.46Å; L136-F183 HydrophobicContact CD1-CE2 3.62Å; L136-F183 HydrophobicContact CD1-CZ 3.76Å; L136-I191 HydrophobicContact CB-CD1 4.32Å; L136-I191 HydrophobicContact CD1-CD1 3.89Å; L136-I191 HydrophobicContact CD2-CD1 4.12Å; L136-I191 HydrophobicContact CG-CD1 4.33Å; L136-V242 HydrophobicContact CD2-CG1 3.77Å; L136-L246 HydrophobicContact CD1-CD2 4.06Å; L136-L246 HydrophobicContact CD2-CD1 4.24Å; L136-L246 HydrophobicContact CD2-CD2 4.18Å; L136-L246 HydrophobicContact CG-CD2 4.18Å
137	F	88	Confident	87.6	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-39.6	-175.6	-64.1	-73.1	0	0	0	112.2	E135 R139 I140 Q141 K178 V242 I245 L246 L332 W339	E135-F137 PolarHBondContact O-N 2.89Å; F137-R139 VanDerWaalsContact C-N 3.26Å; F137-R139 PolarHBondContact O-N 3.11Å; F137-I140 PolarHBondContact O-N 3.18Å; F137-I140 VanDerWaalsContact O-N 3.14Å; F137-Q141 PolarHBondContact O-N 3.43Å; F137-K178 HydrophobicContact CE2-CG 4.47Å; F137-V242 HydrophobicContact CZ-CG1 4.42Å; F137-I245 HydrophobicContact CD1-CG2 4.1Å; F137-I245 HydrophobicContact CE1-CB 3.88Å; F137-I245 HydrophobicContact CE1-CG2 3.39Å; F137-I245 HydrophobicContact CZ-CB 4.17Å; F137-I245 HydrophobicContact CZ-CD1 4.29Å; F137-I245 HydrophobicContact CZ-CG2 4.06Å; F137-L246 HydrophobicContact CE1-CD2 4.09Å; F137-L246 HydrophobicContact CE1-CG 4.46Å; F137-L332 HydrophobicContact CD1-CD1 4.48Å; F137-W339 HydrophobicContact CB-CH2 4.38Å; F137-W339 HydrophobicContact CB-CZ2 3.57Å; F137-W339 AromaticContact CD1-CH2 3.68Å; F137-W339 HydrophobicContact CD1-CH2 3.68Å; F137-W339 AromaticContact CD1-CZ2 3.73Å; F137-W339 HydrophobicContact CD1-CZ2 3.73Å; F137-W339 HydrophobicContact CD2-CH2 4.03Å; F137-W339 AromaticContact CD2-CZ2 3.55Å; F137-W339 HydrophobicContact CD2-CZ2 3.55Å; F137-W339 AromaticContact CE1-CH2 3.88Å; F137-W339 HydrophobicContact CE1-CH2 3.88Å; F137-W339 HydrophobicContact CE1-CZ2 4.3Å; F137-W339 HydrophobicContact CE2-CH2 4.18Å; F137-W339 HydrophobicContact CE2-CZ2 4.12Å; F137-W339 AromaticContact CG-CH2 3.76Å; F137-W339 HydrophobicContact CG-CH2 3.76Å; F137-W339 AromaticContact CG-CZ2 3.31Å; F137-W339 HydrophobicContact CG-CZ2 3.31Å; F137-W339 HydrophobicContact CZ-CH2 4.11Å; F137-W339 HydrophobicContact CZ-CZ2 4.47Å
138	S	86.3	Confident	87.3	Confident	39 Å²	39	51.8 Å²	51.8	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-32	174.8	-59.8	0	0	0	0	112.6	E135 R142	E135-S138 PolarHBondContact O-N 3.4Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 VanDerWaalsContact O-CG 3.3Å; S138-R142 WeakPolarHBondContact O-CG 3.44Å; S138-R142 PolarHBondContact O-N 3.17Å; S138-R142 PolarHBondContact O-NE 3.07Å; S138-R142 VanDerWaalsContact O-NE 3.14Å
139	R	87	Confident	87.3	Confident	58 Å²	58	52.2 Å²	52.2	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-74.9	-33.8	175.4	179.1	60.1	-180	79.9	0	112.5	E135 L136 F137 F183 T186 G187	E135-R139 WeakPolarHBondContact O-CB 3.43Å; E135-R139 PolarHBondContact O-N 3.46Å; L136-R139 PolarHBondContact O-N 3.33Å; F137-R139 VanDerWaalsContact C-N 3.26Å; F137-R139 PolarHBondContact O-N 3.11Å; R139-F183 HydrophobicContact CB-CD2 3.55Å; R139-F183 HydrophobicContact CB-CE2 3.74Å; R139-F183 HydrophobicContact CG-CD2 3.54Å; R139-F183 HydrophobicContact CG-CE2 3.71Å; R139-F183 HydrophobicContact CG-CG 4.27Å; R139-T186 PolarHBondContact NE-O 2.85Å; R139-T186 PolarHBondContact NH2-O 3.48Å; R139-G187 PolarHBondContact NH2-O 3.23Å
140	I	87.7	Confident	87.3	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-69.1	-50.5	174.9	-68.5	165.9	0	0	0	109.5	L136 F137 R142 R143 F148 L246 T328 L329 L332	L136-I140 HydrophobicContact CD1-CD1 3.76Å; L136-I140 HydrophobicContact CG-CD1 4.26Å; L136-I140 WeakPolarHBondContact O-CG1 3.25Å; L136-I140 PolarHBondContact O-N 2.96Å; L136-I140 VanDerWaalsContact O-N 3.16Å; F137-I140 PolarHBondContact O-N 3.18Å; F137-I140 VanDerWaalsContact O-N 3.14Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.01Å; I140-R143 WeakPolarHBondContact O-CB 3.43Å; I140-R143 PolarHBondContact O-N 2.78Å; I140-F148 HydrophobicContact CD1-CE1 4.09Å; I140-F148 HydrophobicContact CD1-CE2 4.41Å; I140-F148 HydrophobicContact CD1-CZ 3.74Å; I140-F148 HydrophobicContact CG1-CE2 4.34Å; I140-F148 HydrophobicContact CG1-CZ 4.12Å; I140-F148 HydrophobicContact CG2-CD1 4.33Å; I140-F148 HydrophobicContact CG2-CE1 4.34Å; I140-L246 HydrophobicContact CD1-CD2 3.12Å; I140-T328 HydrophobicContact CG2-CG2 4.35Å; I140-L329 HydrophobicContact CG2-CD2 3.57Å; I140-L329 WeakPolarHBondContact O-CD2 3.49Å; I140-L332 HydrophobicContact CG2-CD1 4.06Å
141	Q	83.9	Confident	87.5	Confident	60 Å²	60	53 Å²	53	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-33.6	178.2	-76.3	176.4	-32.3	0	0	114	F137 R143 L332	F137-Q141 PolarHBondContact O-N 3.43Å; Q141-R143 PolarHBondContact O-N 3.04Å; Q141-L332 HydrophobicContact CG-CB 3.84Å; Q141-L332 HydrophobicContact CG-CD1 4.24Å; Q141-L332 PolarHBondContact NE2-O 3.46Å
142	R	83.8	Confident	87.5	Confident	150 Å²	150	53.1 Å²	53.1	57%	0.566	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.6	178.5	-75.3	-175.7	-64.7	164.9	3.3	114.2	G133 S138 I140 S144	G133-R142 PolarHBondContact O-NH2 2.89Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 VanDerWaalsContact O-CG 3.3Å; S138-R142 WeakPolarHBondContact O-CG 3.44Å; S138-R142 PolarHBondContact O-N 3.17Å; S138-R142 PolarHBondContact O-NE 3.07Å; S138-R142 VanDerWaalsContact O-NE 3.14Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 3.01Å; R142-S144 PolarHBondContact O-N 3.17Å; R142-S144 VanDerWaalsContact O-N 3.17Å
143	R	82	Confident	87.7	Confident	47 Å²	47	48.2 Å²	48.2	18%	0.177	27%	0.267	C	S	.	.			trans	-73.3	107.1	-177.2	-173.8	174.1	174.4	144	-5	110.2	I140 Q141 K146 A147 E152 L329	I140-R143 WeakPolarHBondContact O-CB 3.43Å; I140-R143 PolarHBondContact O-N 2.78Å; Q141-R143 PolarHBondContact O-N 3.04Å; R143-K146 PolarHBondContact NE-O 2.7Å; R143-K146 VanDerWaalsContact NH2-CE 3.32Å; R143-K146 VanDerWaalsContact NH2-CG 3.28Å; R143-A147 PolarHBondContact NH2-O 3.38Å; R143-E152 IonicContact CZ-OE1 2.75Å; R143-E152 VanDerWaalsContact CZ-OE1 3.31Å; R143-E152 IonicContact CZ-OE2 3.62Å; R143-E152 IonicContact NH1-OE1 2.88Å; R143-E152 PolarHBondContact NH1-OE1 3.02Å; R143-E152 IonicContact NH1-OE2 2.62Å; R143-E152 PolarHBondContact NH1-OE2 3.08Å; R143-E152 IonicContact NH2-OE1 3.69Å; R143-E152 PolarHBondContact NH2-OE1 3.09Å; R143-E152 IonicContact NH2-OE2 3.36Å; R143-E152 PolarHBondContact NH2-OE2 3.18Å; R143-L329 HydrophobicContact CB-CD2 4.16Å
144	S	70.7	Confident	88	Confident	112 Å²	112	48.2 Å²	48.2	78%	0.783	27%	0.267	S	S	*	.			trans	-92.9	125.6	173.7	56.2	0	0	0	0	111.3	R142 K146	R142-S144 PolarHBondContact O-N 3.17Å; R142-S144 VanDerWaalsContact O-N 3.17Å; S144-K146 PolarHBondContact O-N 3.31Å
145	G	72.5	Confident	88.3	Confident	92 Å²	92	51.1 Å²	51.1	95%	0.948	27%	0.274	S	S	*	.	S	Bend	trans	83	-8.1	160.8	0	0	0	0	0	118.1
146	K	81.2	Confident	88.5	Confident	131 Å²	131	47.1 Å²	47.1	57%	0.57	26%	0.256	S	S	*	.	S	Bend	trans	-111.6	124.7	172.7	-169.1	-174.3	170.6	-152.6	0	110.1	R143 S144 F148 E152	R143-K146 PolarHBondContact NE-O 2.7Å; R143-K146 VanDerWaalsContact NH2-CE 3.32Å; R143-K146 VanDerWaalsContact NH2-CG 3.28Å; S144-K146 PolarHBondContact O-N 3.31Å; K146-F148 PolarHBondContact O-N 2.8Å; K146-E152 IonicContact NZ-OE1 3.76Å; K146-E152 PolarHBondContact NZ-OE1 3.02Å
147	A	86.1	Confident	88.8	Confident	51 Å²	51	47 Å²	47	42%	0.421	26%	0.255	S	S	.	.			trans	-52.4	136.6	174.1	0	0	0	0	0	111	R143 P325	R143-A147 PolarHBondContact NH2-O 3.38Å; A147-P325 HydrophobicContact CB-CB 4.18Å
148	F	91.8	Very high	89.2	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.018	27%	0.269	C	S	.	.			trans	-89.3	124.2	171.4	-175	-128.8	0	0	0	108.2	I140 K146 E152 V153 I156 L246 L326 T328 L329	I140-F148 HydrophobicContact CD1-CE1 4.09Å; I140-F148 HydrophobicContact CD1-CE2 4.41Å; I140-F148 HydrophobicContact CD1-CZ 3.74Å; I140-F148 HydrophobicContact CG1-CE2 4.34Å; I140-F148 HydrophobicContact CG1-CZ 4.12Å; I140-F148 HydrophobicContact CG2-CD1 4.33Å; I140-F148 HydrophobicContact CG2-CE1 4.34Å; K146-F148 PolarHBondContact O-N 2.8Å; F148-E152 WeakPolarHBondContact CA-OE2 3.42Å; F148-E152 HydrophobicContact CD2-CB 4.21Å; F148-E152 WeakPolarHBondContact CD2-OE2 3.18Å; F148-E152 HydrophobicContact CE2-CB 4.01Å; F148-V153 HydrophobicContact CD1-CG2 4.34Å; F148-V153 HydrophobicContact CE1-CG2 3.52Å; F148-V153 HydrophobicContact CE2-CG2 4.29Å; F148-V153 HydrophobicContact CZ-CG2 3.5Å; F148-V153 VanDerWaalsContact CZ-CG2 3.5Å; F148-I156 HydrophobicContact CE2-CD1 4.12Å; F148-I156 HydrophobicContact CZ-CD1 4.15Å; F148-L246 HydrophobicContact CE1-CD2 4.37Å; F148-L246 WeakPolarHBondContact CE1-O 3.2Å; F148-L246 HydrophobicContact CZ-CD2 4.2Å; F148-L326 HydrophobicContact CD1-CD1 4.03Å; F148-L326 HydrophobicContact CE1-CD1 4.28Å; F148-L326 WeakPolarHBondContact O-CB 3.21Å; F148-L326 PolarHBondContact O-N 2.76Å; F148-T328 HydrophobicContact CD1-CG2 4.09Å; F148-T328 HydrophobicContact CE1-CG2 4.1Å; F148-L329 HydrophobicContact CB-CD1 3.84Å; F148-L329 HydrophobicContact CB-CD2 4.42Å; F148-L329 HydrophobicContact CB-CG 3.84Å
149	T	95.1	Very high	89.7	Confident	17 Å²	17	50 Å²	50	10%	0.104	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-113.8	158.4	-167.8	68.7	0	0	0	0	113.2	R151 E152 V153 E323 T324	T149-R151 VanDerWaalsContact C-N 3.27Å; T149-R151 PolarHBondContact O-N 3.24Å; T149-E152 PolarHBondContact N-OE2 3.25Å; T149-E152 VanDerWaalsContact N-OE2 3.14Å; T149-E152 WeakPolarHBondContact O-CB 3.19Å; T149-E152 PolarHBondContact O-N 3.03Å; T149-E152 WeakPolarHBondContact OG1-CG 3.39Å; T149-E152 PolarHBondContact OG1-N 3.26Å; T149-V153 PolarHBondContact O-N 3.31Å; T149-V153 VanDerWaalsContact O-N 3.15Å; T149-E323 HydrophobicContact CG2-CB 4.27Å; T149-E323 VanDerWaalsContact CG2-O 3.29Å; T149-E323 WeakPolarHBondContact CG2-O 3.46Å; T149-T324 VanDerWaalsContact CA-O 3.26Å; T149-T324 WeakPolarHBondContact CA-O 3.41Å
150	E	96.6	Very high	90.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-40.6	176.6	-164.8	-178.6	145.4	0	0	112.3	E152 V153 A154 L247 T285 W314 V321 T324 L326	E150-E152 VanDerWaalsContact C-N 3.33Å; E150-E152 PolarHBondContact O-N 3.04Å; E150-V153 WeakPolarHBondContact O-CB 3.45Å; E150-V153 PolarHBondContact O-N 3Å; E150-V153 VanDerWaalsContact O-N 3.13Å; E150-A154 PolarHBondContact O-N 3.36Å; E150-L247 HydrophobicContact CG-CD2 3.86Å; E150-T285 WeakPolarHBondContact OE1-CB 3.3Å; E150-T285 VanDerWaalsContact OE1-CG2 3.25Å; E150-T285 WeakPolarHBondContact OE1-CG2 3.27Å; E150-T285 PolarHBondContact OE1-OG1 3.21Å; E150-T285 PolarHBondContact OE2-N 3.48Å; E150-T285 VanDerWaalsContact OE2-N 3.15Å; E150-W314 HydrophobicContact CG-CZ2 4.03Å; E150-W314 PolarHBondContact OE1-NE1 2.8Å; E150-V321 HydrophobicContact CB-CG1 4.01Å; E150-V321 HydrophobicContact CG-CG1 3.64Å; E150-T324 PolarHBondContact N-O 2.96Å; E150-L326 HydrophobicContact CB-CD2 4.3Å
151	R	96.2	Very high	90.6	Very high	67 Å²	67	47.1 Å²	47.1	25%	0.253	25%	0.252	S	S	.	.	H	α-helix	trans	-57.6	-41.7	173.5	-176.7	177.3	-62.5	165.3	-0.6	113.3	T149 V153 A154 H155 V321 P322 E323	T149-R151 VanDerWaalsContact C-N 3.27Å; T149-R151 PolarHBondContact O-N 3.24Å; R151-V153 VanDerWaalsContact C-N 3.31Å; R151-A154 PolarHBondContact O-N 2.96Å; R151-H155 PolarHBondContact O-CD2 3.39Å; R151-H155 VanDerWaalsContact O-CD2 3.24Å; R151-H155 PolarHBondContact O-N 2.76Å; R151-H155 VanDerWaalsContact O-N 3.09Å; R151-V321 VanDerWaalsContact CZ-O 3.23Å; R151-V321 PolarHBondContact NE-O 2.83Å; R151-V321 PolarHBondContact NH2-O 3.43Å; R151-P322 PolarHBondContact N-O 3.06Å; R151-P322 VanDerWaalsContact N-O 3.08Å; R151-E323 HydrophobicContact CB-CG 4.26Å; R151-E323 IonicContact CZ-OE1 3.87Å; R151-E323 IonicContact NE-OE1 2.69Å; R151-E323 IonicContact NH1-OE1 2.7Å; R151-E323 PolarHBondContact NH1-OE1 3.44Å; R151-E323 IonicContact NH1-OE2 3.56Å
152	E	94.3	Very high	91.2	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-39	176.9	-71.8	177.9	135.6	0	0	111	R143 K146 F148 T149 E150 H155 I156	R143-E152 IonicContact CZ-OE1 2.75Å; R143-E152 VanDerWaalsContact CZ-OE1 3.31Å; R143-E152 IonicContact CZ-OE2 3.62Å; R143-E152 IonicContact NH1-OE1 2.88Å; R143-E152 PolarHBondContact NH1-OE1 3.02Å; R143-E152 IonicContact NH1-OE2 2.62Å; R143-E152 PolarHBondContact NH1-OE2 3.08Å; R143-E152 IonicContact NH2-OE1 3.69Å; R143-E152 PolarHBondContact NH2-OE1 3.09Å; R143-E152 IonicContact NH2-OE2 3.36Å; R143-E152 PolarHBondContact NH2-OE2 3.18Å; K146-E152 IonicContact NZ-OE1 3.76Å; K146-E152 PolarHBondContact NZ-OE1 3.02Å; F148-E152 WeakPolarHBondContact CA-OE2 3.42Å; F148-E152 HydrophobicContact CD2-CB 4.21Å; F148-E152 WeakPolarHBondContact CD2-OE2 3.18Å; F148-E152 HydrophobicContact CE2-CB 4.01Å; T149-E152 PolarHBondContact N-OE2 3.25Å; T149-E152 VanDerWaalsContact N-OE2 3.14Å; T149-E152 WeakPolarHBondContact O-CB 3.19Å; T149-E152 PolarHBondContact O-N 3.03Å; T149-E152 WeakPolarHBondContact OG1-CG 3.39Å; T149-E152 PolarHBondContact OG1-N 3.26Å; E150-E152 VanDerWaalsContact C-N 3.33Å; E150-E152 PolarHBondContact O-N 3.04Å; E152-H155 PolarHBondContact O-N 3.37Å; E152-I156 WeakPolarHBondContact O-CG1 3.43Å; E152-I156 PolarHBondContact O-N 2.83Å; E152-I156 VanDerWaalsContact O-N 3.12Å
153	V	95.7	Very high	91.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-44.4	172.9	-176	0	0	0	0	110.9	F148 T149 E150 R151 H155 I156 I157 L246 L247 W314 L326	F148-V153 HydrophobicContact CD1-CG2 4.34Å; F148-V153 HydrophobicContact CE1-CG2 3.52Å; F148-V153 HydrophobicContact CE2-CG2 4.29Å; F148-V153 HydrophobicContact CZ-CG2 3.5Å; F148-V153 VanDerWaalsContact CZ-CG2 3.5Å; T149-V153 PolarHBondContact O-N 3.31Å; T149-V153 VanDerWaalsContact O-N 3.15Å; E150-V153 WeakPolarHBondContact O-CB 3.45Å; E150-V153 PolarHBondContact O-N 3Å; E150-V153 VanDerWaalsContact O-N 3.13Å; R151-V153 VanDerWaalsContact C-N 3.31Å; V153-H155 VanDerWaalsContact C-N 3.32Å; V153-H155 PolarHBondContact O-N 3.08Å; V153-I156 PolarHBondContact O-N 3.41Å; V153-I156 VanDerWaalsContact O-N 3.15Å; V153-I157 HydrophobicContact CG1-CG1 4.07Å; V153-I157 WeakPolarHBondContact O-CG1 3.37Å; V153-I157 PolarHBondContact O-N 2.89Å; V153-L246 HydrophobicContact CB-CB 4.47Å; V153-L246 HydrophobicContact CG1-CB 3.55Å; V153-L246 HydrophobicContact CG1-CD1 3.95Å; V153-L246 HydrophobicContact CG1-CG 4.4Å; V153-L246 HydrophobicContact CG2-CB 4.02Å; V153-L247 HydrophobicContact CB-CD2 4.08Å; V153-L247 HydrophobicContact CG1-CD2 3.96Å; V153-L247 HydrophobicContact CG1-CG 4.2Å; V153-L247 HydrophobicContact CG2-CD2 4.17Å; V153-W314 HydrophobicContact CB-CH2 4.42Å; V153-W314 HydrophobicContact CG1-CH2 4.03Å; V153-L326 HydrophobicContact CG2-CD1 3.47Å; V153-L326 VanDerWaalsContact CG2-CD1 3.47Å
154	A	97.1	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-40.6	179.3	0	0	0	0	0	112.7	E150 R151 I157 Y158 W314 C318 V321	E150-A154 PolarHBondContact O-N 3.36Å; R151-A154 PolarHBondContact O-N 2.96Å; A154-I157 PolarHBondContact O-N 2.98Å; A154-Y158 WeakPolarHBondContact O-CB 3.24Å; A154-Y158 PolarHBondContact O-N 3.45Å; A154-W314 VanDerWaalsContact CA-CH2 3.42Å; A154-W314 HydrophobicContact CB-CD2 4.36Å; A154-W314 HydrophobicContact CB-CE3 4.26Å; A154-W314 HydrophobicContact CB-CH2 3.74Å; A154-W314 HydrophobicContact CB-CZ2 3.81Å; A154-W314 HydrophobicContact CB-CZ3 3.96Å; A154-C318 HydrophobicContact CB-CB 3.61Å; A154-V321 HydrophobicContact CB-CB 4.14Å; A154-V321 HydrophobicContact CB-CG1 4.25Å; A154-V321 HydrophobicContact CB-CG2 3.83Å
155	H	95.4	Very high	93.9	Very high	84 Å²	84	35.7 Å²	35.7	39%	0.389	19%	0.191	S	C	.	.	H	α-helix	trans	-64.7	-43.4	173.9	-78	-61	0	0	0	113	R151 E152 V153 Y158 D159	R151-H155 PolarHBondContact O-CD2 3.39Å; R151-H155 VanDerWaalsContact O-CD2 3.24Å; R151-H155 PolarHBondContact O-N 2.76Å; R151-H155 VanDerWaalsContact O-N 3.09Å; E152-H155 PolarHBondContact O-N 3.37Å; V153-H155 VanDerWaalsContact C-N 3.32Å; V153-H155 PolarHBondContact O-N 3.08Å; H155-Y158 PolarHBondContact O-N 3.4Å; H155-D159 PolarHBondContact O-N 3.01Å; H155-D159 VanDerWaalsContact O-N 3.11Å
156	I	95.5	Very high	95	Very high	18 Å²	18	34 Å²	34	9%	0.092	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-48.1	176.3	-69.6	165.5	0	0	0	110.2	L136 F148 E152 V153 Y158 D159 I160 F183 I191 L246	L136-I156 HydrophobicContact CD1-CD1 4.27Å; L136-I156 HydrophobicContact CD1-CG2 4.06Å; F148-I156 HydrophobicContact CE2-CD1 4.12Å; F148-I156 HydrophobicContact CZ-CD1 4.15Å; E152-I156 WeakPolarHBondContact O-CG1 3.43Å; E152-I156 PolarHBondContact O-N 2.83Å; E152-I156 VanDerWaalsContact O-N 3.12Å; V153-I156 PolarHBondContact O-N 3.41Å; V153-I156 VanDerWaalsContact O-N 3.15Å; I156-Y158 PolarHBondContact O-N 2.71Å; I156-D159 PolarHBondContact O-N 3.05Å; I156-I160 HydrophobicContact CG2-CD1 3.82Å; I156-I160 VanDerWaalsContact O-CG1 3.27Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3.29Å; I156-F183 HydrophobicContact CD1-CZ 4.15Å; I156-F183 HydrophobicContact CG1-CZ 4.36Å; I156-I191 HydrophobicContact CG2-CD1 3.77Å; I156-L246 HydrophobicContact CG2-CD1 3.95Å
157	I	97.1	Very high	95.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-41.7	179.9	-67.9	-59.6	0	0	0	111.4	V153 A154 D159 I160 C161 L239 M243 L246 W314 V315	V153-I157 HydrophobicContact CG1-CG1 4.07Å; V153-I157 WeakPolarHBondContact O-CG1 3.37Å; V153-I157 PolarHBondContact O-N 2.89Å; A154-I157 PolarHBondContact O-N 2.98Å; I157-D159 VanDerWaalsContact C-N 3.34Å; I157-D159 PolarHBondContact O-N 2.96Å; I157-I160 HydrophobicContact CD1-CD1 4.35Å; I157-I160 PolarHBondContact O-N 3.01Å; I157-C161 WeakPolarHBondContact O-CB 3.45Å; I157-C161 PolarHBondContact O-N 3.2Å; I157-C161 PolarHBondContact O-SG 3.32Å; I157-L239 HydrophobicContact CD1-CD1 3.93Å; I157-L239 HydrophobicContact CG2-CD1 4.34Å; I157-M243 HydrophobicContact CD1-CB 3.68Å; I157-M243 HydrophobicContact CD1-CG 4.1Å; I157-M243 HydrophobicContact CG1-CB 4.24Å; I157-M243 HydrophobicContact CG1-CG 4.09Å; I157-L246 HydrophobicContact CD1-CD1 4.06Å; I157-W314 HydrophobicContact CB-CZ3 3.95Å; I157-W314 HydrophobicContact CG1-CH2 4.31Å; I157-W314 HydrophobicContact CG1-CZ3 4.11Å; I157-W314 HydrophobicContact CG2-CZ3 4Å; I157-V315 HydrophobicContact CG2-CG2 4.28Å
158	Y	97	Very high	96.2	Very high	84 Å²	84	26 Å²	26	33%	0.329	11%	0.114	S	C	.	.	H	α-helix	trans	-56.9	-47.5	175.3	177.6	-92.6	0	0	0	112	A154 H155 I156 I160 C161 C162 V315	A154-Y158 WeakPolarHBondContact O-CB 3.24Å; A154-Y158 PolarHBondContact O-N 3.45Å; H155-Y158 PolarHBondContact O-N 3.4Å; I156-Y158 PolarHBondContact O-N 2.71Å; Y158-I160 VanDerWaalsContact C-N 3.35Å; Y158-I160 PolarHBondContact O-N 3.49Å; Y158-C161 WeakPolarHBondContact O-CB 3.39Å; Y158-C161 PolarHBondContact O-N 3Å; Y158-C162 VanDerWaalsContact CE1-SG 3.54Å; Y158-C162 PolarHBondContact O-N 3.08Å; Y158-C162 PolarHBondContact O-SG 3.23Å; Y158-V315 HydrophobicContact CD2-CG1 3.77Å; Y158-V315 WeakPolarHBondContact CD2-O 3.05Å; Y158-V315 HydrophobicContact CG-CG1 4.5Å
159	D	96.2	Very high	96.3	Very high	27 Å²	27	29 Å²	29	14%	0.144	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-40.9	178.4	-90.5	-10.5	0	0	0	112.2	R105 N106 H155 I156 I157 C162 A163 I191	R105-D159 IonicContact CZ-OD1 3.17Å; R105-D159 IonicContact NH1-OD1 3.62Å; R105-D159 PolarHBondContact NH1-OD1 2.95Å; R105-D159 IonicContact NH1-OD2 3.94Å; N106-D159 WeakPolarHBondContact CB-O 3.39Å; N106-D159 VanDerWaalsContact CG-O 3.27Å; N106-D159 VanDerWaalsContact ND2-CB 3.31Å; N106-D159 WeakPolarHBondContact ND2-CB 3.33Å; N106-D159 PolarHBondContact ND2-OD1 3.33Å; N106-D159 PolarHBondContact ND2-OD2 3.16Å; H155-D159 PolarHBondContact O-N 3.01Å; H155-D159 VanDerWaalsContact O-N 3.11Å; I156-D159 PolarHBondContact O-N 3.05Å; I157-D159 VanDerWaalsContact C-N 3.34Å; I157-D159 PolarHBondContact O-N 2.96Å; D159-C162 PolarHBondContact O-N 3.4Å; D159-A163 PolarHBondContact O-N 3.15Å; D159-I191 HydrophobicContact CB-CG2 3.38Å
160	I	97.2	Very high	96.1	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-43	174.8	-60.5	166.3	0	0	0	110.4	I156 I157 Y158 C162 A163 I164 I177 L181 I191 L239 V242	I156-I160 HydrophobicContact CG2-CD1 3.82Å; I156-I160 VanDerWaalsContact O-CG1 3.27Å; I156-I160 WeakPolarHBondContact O-CG1 3.3Å; I156-I160 PolarHBondContact O-N 3.29Å; I157-I160 HydrophobicContact CD1-CD1 4.35Å; I157-I160 PolarHBondContact O-N 3.01Å; Y158-I160 VanDerWaalsContact C-N 3.35Å; Y158-I160 PolarHBondContact O-N 3.49Å; I160-C162 VanDerWaalsContact C-N 3.28Å; I160-C162 PolarHBondContact O-N 3.07Å; I160-A163 WeakPolarHBondContact O-CB 3.5Å; I160-A163 PolarHBondContact O-N 3.33Å; I160-A163 VanDerWaalsContact O-N 3.14Å; I160-I164 HydrophobicContact CG2-CD1 3.81Å; I160-I164 HydrophobicContact CG2-CG1 4.29Å; I160-I164 WeakPolarHBondContact O-CG1 3.39Å; I160-I164 PolarHBondContact O-N 2.93Å; I160-I177 HydrophobicContact CG2-CG2 4.13Å; I160-L181 HydrophobicContact CD1-CD1 3.71Å; I160-L181 HydrophobicContact CD1-CD2 3.95Å; I160-L181 HydrophobicContact CD1-CG 4.48Å; I160-L181 HydrophobicContact CG1-CD1 4.41Å; I160-L181 HydrophobicContact CG1-CD2 3.7Å; I160-L181 HydrophobicContact CG2-CD2 4.25Å; I160-I191 HydrophobicContact CD1-CD1 4.07Å; I160-I191 HydrophobicContact CG1-CD1 4.15Å; I160-I191 HydrophobicContact CG1-CG2 4.26Å; I160-L239 HydrophobicContact CB-CD1 4.14Å; I160-L239 HydrophobicContact CG2-CD1 3.7Å; I160-V242 HydrophobicContact CD1-CG1 4.33Å
161	C	97.6	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-39	177.3	-68.8	0	0	0	0	111.6	I157 Y158 A163 I164 R165 L239 I306 I310	I157-C161 WeakPolarHBondContact O-CB 3.45Å; I157-C161 PolarHBondContact O-N 3.2Å; I157-C161 PolarHBondContact O-SG 3.32Å; Y158-C161 WeakPolarHBondContact O-CB 3.39Å; Y158-C161 PolarHBondContact O-N 3Å; C161-A163 VanDerWaalsContact C-N 3.34Å; C161-A163 PolarHBondContact O-N 3.46Å; C161-I164 PolarHBondContact O-N 3.29Å; C161-R165 VanDerWaalsContact O-CB 3.26Å; C161-R165 WeakPolarHBondContact O-CB 3.06Å; C161-R165 PolarHBondContact O-N 3.44Å; C161-L239 VanDerWaalsContact SG-CD2 3.57Å; C161-I306 HydrophobicContact CB-CD1 4.14Å; C161-I310 HydrophobicContact CB-CG1 4.4Å
162	C	97.1	Very high	95.7	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.081	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175.1	-66.7	0	0	0	0	111.4	H104 Y158 D159 I160 F166	H104-C162 VanDerWaalsContact CE1-C 3.46Å; H104-C162 PolarHBondContact CE1-O 3.45Å; H104-C162 PolarHBondContact NE2-O 3.28Å; Y158-C162 VanDerWaalsContact CE1-SG 3.54Å; Y158-C162 PolarHBondContact O-N 3.08Å; Y158-C162 PolarHBondContact O-SG 3.23Å; D159-C162 PolarHBondContact O-N 3.4Å; I160-C162 VanDerWaalsContact C-N 3.28Å; I160-C162 PolarHBondContact O-N 3.07Å; C162-F166 WeakPolarHBondContact O-CB 3.2Å; C162-F166 PolarHBondContact O-N 3.33Å; C162-F166 VanDerWaalsContact O-N 3.08Å
163	A	97.4	Very high	95.6	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-48.5	175.9	0	0	0	0	0	112.2	N106 I107 D159 I160 C161 F166 L167 L193	N106-A163 HydrophobicContact CB-CB 3.83Å; I107-A163 HydrophobicContact CG1-CB 4.12Å; D159-A163 PolarHBondContact O-N 3.15Å; I160-A163 WeakPolarHBondContact O-CB 3.5Å; I160-A163 PolarHBondContact O-N 3.33Å; I160-A163 VanDerWaalsContact O-N 3.14Å; C161-A163 VanDerWaalsContact C-N 3.34Å; C161-A163 PolarHBondContact O-N 3.46Å; A163-F166 PolarHBondContact O-N 3.46Å; A163-L167 WeakPolarHBondContact O-CG 3.44Å; A163-L167 PolarHBondContact O-N 3.45Å; A163-L167 VanDerWaalsContact O-N 3.08Å; A163-L193 HydrophobicContact CB-CB 4.3Å; A163-L193 HydrophobicContact CB-CD2 4.48Å
164	I	97.2	Very high	95.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.1	-45	-179.7	-64.4	172.6	0	0	0	110.5	I160 C161 F166 L167 H168 I177 D235 I236 L239 I306	I160-I164 HydrophobicContact CG2-CD1 3.81Å; I160-I164 HydrophobicContact CG2-CG1 4.29Å; I160-I164 WeakPolarHBondContact O-CG1 3.39Å; I160-I164 PolarHBondContact O-N 2.93Å; C161-I164 PolarHBondContact O-N 3.29Å; I164-F166 VanDerWaalsContact C-N 3.28Å; I164-F166 PolarHBondContact O-N 3.29Å; I164-L167 PolarHBondContact O-N 3.31Å; I164-L167 VanDerWaalsContact O-N 3.16Å; I164-H168 VanDerWaalsContact CG2-CE1 3.48Å; I164-H168 WeakPolarHBondContact CG2-CE1 3.19Å; I164-H168 WeakPolarHBondContact O-CB 3.24Å; I164-H168 PolarHBondContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 2.7Å; I164-I177 HydrophobicContact CD1-CD1 4.04Å; I164-I177 HydrophobicContact CD1-CG1 4.17Å; I164-I177 HydrophobicContact CD1-CG2 4.46Å; I164-I177 HydrophobicContact CG1-CD1 3.76Å; I164-I177 HydrophobicContact CG1-CG1 4.42Å; I164-D235 HydrophobicContact CD1-CB 4.5Å; I164-D235 HydrophobicContact CG2-CB 4.11Å; I164-I236 HydrophobicContact CG2-CD1 4.37Å; I164-L239 HydrophobicContact CD1-CB 4.2Å; I164-L239 HydrophobicContact CD1-CD1 4.42Å; I164-L239 HydrophobicContact CD1-CD2 4.33Å; I164-I306 HydrophobicContact CB-CD1 3.92Å; I164-I306 HydrophobicContact CB-CG1 4.19Å; I164-I306 HydrophobicContact CG2-CB 4.3Å; I164-I306 HydrophobicContact CG2-CD1 3.79Å; I164-I306 HydrophobicContact CG2-CG1 3.85Å
165	R	97.1	Very high	95.2	Very high	114 Å²	114	28.8 Å²	28.8	43%	0.43	15%	0.147	S	C	.	.	H	α-helix	trans	-60	-42.6	179.4	-171.9	178.3	67.3	165.6	-2.2	111.2	C161 H168 G169 I306	C161-R165 VanDerWaalsContact O-CB 3.26Å; C161-R165 WeakPolarHBondContact O-CB 3.06Å; C161-R165 PolarHBondContact O-N 3.44Å; R165-H168 PolarHBondContact O-N 3.32Å; R165-G169 PolarHBondContact O-N 3.49Å; R165-I306 HydrophobicContact CB-CG1 3.71Å; R165-I306 HydrophobicContact CB-CG2 4.38Å; R165-I306 HydrophobicContact CG-CG1 4.38Å; R165-I306 HydrophobicContact CG-CG2 4.33Å
166	F	96.9	Very high	94.8	Very high	58 Å²	58	25 Å²	25	25%	0.254	13%	0.13	S	C	.	.	H	α-helix	trans	-60.7	-45.7	176.9	-179	-103	0	0	0	111.7	A101 H104 I107 C162 A163 I164 M170	A101-F166 HydrophobicContact CB-CE1 4.25Å; A101-F166 WeakPolarHBondContact O-CE1 3.32Å; H104-F166 HydrophobicContact CB-CD1 3.52Å; H104-F166 HydrophobicContact CB-CD2 4.35Å; H104-F166 HydrophobicContact CB-CE1 3.64Å; H104-F166 HydrophobicContact CB-CE2 4.48Å; H104-F166 HydrophobicContact CB-CG 3.88Å; H104-F166 HydrophobicContact CB-CZ 4.14Å; H104-F166 AromaticContact CD2-CD2 3.74Å; H104-F166 AromaticContact CD2-CG 3.55Å; H104-F166 AromaticContact CG-CD1 3.9Å; H104-F166 AromaticContact CG-CG 3.8Å; I107-F166 HydrophobicContact CD1-CD1 3.75Å; I107-F166 HydrophobicContact CD1-CE1 4.3Å; C162-F166 WeakPolarHBondContact O-CB 3.2Å; C162-F166 PolarHBondContact O-N 3.33Å; C162-F166 VanDerWaalsContact O-N 3.08Å; A163-F166 PolarHBondContact O-N 3.46Å; I164-F166 VanDerWaalsContact C-N 3.28Å; I164-F166 PolarHBondContact O-N 3.29Å; F166-M170 HydrophobicContact CD1-SD 4.21Å; F166-M170 HydrophobicContact CE1-SD 3.61Å; F166-M170 HydrophobicContact CE2-SD 4.09Å; F166-M170 HydrophobicContact CZ-SD 3.53Å; F166-M170 VanDerWaalsContact CZ-SD 3.53Å; F166-M170 WeakPolarHBondContact O-CG 3.04Å; F166-M170 PolarHBondContact O-N 3.22Å
167	L	96.2	Very high	94.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-47.8	175.9	-68	-180	0	0	0	112.5	A101 I107 A163 I164 G169 M170 N171 V172 H174 L193 F196	A101-L167 HydrophobicContact CB-CD2 3.49Å; A101-L167 VanDerWaalsContact CB-CD2 3.49Å; I107-L167 HydrophobicContact CD1-CD2 3.83Å; I107-L167 HydrophobicContact CD1-CG 3.98Å; A163-L167 WeakPolarHBondContact O-CG 3.44Å; A163-L167 PolarHBondContact O-N 3.45Å; A163-L167 VanDerWaalsContact O-N 3.08Å; I164-L167 PolarHBondContact O-N 3.31Å; I164-L167 VanDerWaalsContact O-N 3.16Å; L167-G169 VanDerWaalsContact C-N 3.3Å; L167-G169 PolarHBondContact O-N 3.13Å; L167-M170 CarbonylContact O-C 3.59Å; L167-M170 WeakPolarHBondContact O-CA 3.34Å; L167-M170 PolarHBondContact O-N 3.25Å; L167-N171 PolarHBondContact O-N 2.9Å; L167-V172 CarbonylContact C-O 3.6Å; L167-V172 HydrophobicContact CB-CB 4.33Å; L167-V172 WeakPolarHBondContact CB-O 3.47Å; L167-V172 HydrophobicContact CD2-CB 4.37Å; L167-V172 HydrophobicContact CD2-CG1 4.22Å; L167-V172 PolarHBondContact O-N 3.15Å; L167-H174 HydrophobicContact CD1-CB 3.97Å; L167-L193 HydrophobicContact CD1-CD2 3.65Å; L167-F196 HydrophobicContact CD1-CE1 4.21Å; L167-F196 HydrophobicContact CD1-CZ 4.13Å; L167-F196 HydrophobicContact CD2-CE1 3.64Å; L167-F196 HydrophobicContact CD2-CZ 3.89Å
168	H	94.9	Very high	93.8	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.056	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-36	-178.3	-75.2	-164.6	0	0	0	112	I164 R165 M170 N171 V172 K232 D235 I306	I164-H168 VanDerWaalsContact CG2-CE1 3.48Å; I164-H168 WeakPolarHBondContact CG2-CE1 3.19Å; I164-H168 WeakPolarHBondContact O-CB 3.24Å; I164-H168 PolarHBondContact O-CD2 3.31Å; I164-H168 PolarHBondContact O-N 2.7Å; R165-H168 PolarHBondContact O-N 3.32Å; H168-M170 PolarHBondContact O-N 3.29Å; H168-N171 WeakPolarHBondContact O-CA 3.27Å; H168-N171 PolarHBondContact O-N 3.06Å; H168-V172 PolarHBondContact CD2-O 3.45Å; H168-V172 PolarHBondContact N-O 3.31Å; H168-K232 HydrophobicContact CB-CD 4.31Å; H168-K232 PolarHBondContact CE1-O 2.92Å; H168-K232 VanDerWaalsContact CE1-O 3.25Å; H168-K232 PolarHBondContact O-NZ 3.45Å; H168-D235 IonicContact CD2-OD2 3.27Å; H168-D235 IonicContact CE1-OD2 3.46Å; H168-D235 IonicContact NE2-OD2 3.56Å; H168-D235 PolarHBondContact NE2-OD2 2.97Å; H168-I306 HydrophobicContact CB-CG2 3.95Å
169	G	93.5	Very high	92.9	Very high	66 Å²	66	23.8 Å²	23.8	68%	0.68	14%	0.136	S	C	*	.	H	α-helix	trans	-66.8	-20.1	173.8	0	0	0	0	0	113.9	R165 L167	R165-G169 PolarHBondContact O-N 3.49Å; L167-G169 VanDerWaalsContact C-N 3.3Å; L167-G169 PolarHBondContact O-N 3.13Å
170	M	92.1	Very high	92.1	Very high	61 Å²	61	22.5 Å²	22.5	30%	0.3	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	12.6	171.6	-60.4	178.5	74	0	0	112.4	L100 F166 L167 H168 V172	L100-M170 HydrophobicContact CD1-CE 3.3Å; L100-M170 HydrophobicContact CD2-CE 3.98Å; L100-M170 HydrophobicContact CG-CE 3.36Å; F166-M170 HydrophobicContact CD1-SD 4.21Å; F166-M170 HydrophobicContact CE1-SD 3.61Å; F166-M170 HydrophobicContact CE2-SD 4.09Å; F166-M170 HydrophobicContact CZ-SD 3.53Å; F166-M170 VanDerWaalsContact CZ-SD 3.53Å; F166-M170 WeakPolarHBondContact O-CG 3.04Å; F166-M170 PolarHBondContact O-N 3.22Å; L167-M170 CarbonylContact O-C 3.59Å; L167-M170 WeakPolarHBondContact O-CA 3.34Å; L167-M170 PolarHBondContact O-N 3.25Å; H168-M170 PolarHBondContact O-N 3.29Å; M170-V172 VanDerWaalsContact C-N 3.25Å; M170-V172 HydrophobicContact CB-CG2 4.43Å; M170-V172 PolarHBondContact O-N 3.05Å
171	N	91.8	Very high	91.8	Very high	35 Å²	35	22.6 Å²	22.6	19%	0.187	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	40.4	-175.6	-61.7	-45.5	0	0	0	113	L167 H168 K201 T202 E203 K232	L167-N171 PolarHBondContact O-N 2.9Å; H168-N171 WeakPolarHBondContact O-CA 3.27Å; H168-N171 PolarHBondContact O-N 3.06Å; N171-K201 CarbonylContact O-C 3.58Å; N171-K201 WeakPolarHBondContact O-CA 3.44Å; N171-T202 PolarHBondContact O-N 3.04Å; N171-T202 PolarHBondContact O-OG1 2.96Å; N171-E203 HydrophobicContact CB-CG 3.92Å; N171-E203 PolarHBondContact ND2-OE1 3.34Å; N171-E203 PolarHBondContact ND2-OE2 2.85Å; N171-K232 PolarHBondContact OD1-NZ 2.83Å
172	V	92.3	Very high	91.5	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.7	173	179.4	0	0	0	0	108.7	L97 L167 H168 M170 A199 K200	L97-V172 HydrophobicContact CD1-CG1 4.39Å; L97-V172 HydrophobicContact CD2-CG1 4.48Å; L97-V172 HydrophobicContact CD2-CG2 3.89Å; L167-V172 CarbonylContact C-O 3.6Å; L167-V172 HydrophobicContact CB-CB 4.33Å; L167-V172 WeakPolarHBondContact CB-O 3.47Å; L167-V172 HydrophobicContact CD2-CB 4.37Å; L167-V172 HydrophobicContact CD2-CG1 4.22Å; L167-V172 PolarHBondContact O-N 3.15Å; H168-V172 PolarHBondContact CD2-O 3.45Å; H168-V172 PolarHBondContact N-O 3.31Å; M170-V172 VanDerWaalsContact C-N 3.25Å; M170-V172 HydrophobicContact CB-CG2 4.43Å; M170-V172 PolarHBondContact O-N 3.05Å; V172-A199 HydrophobicContact CG1-CB 4.34Å; V172-K200 WeakPolarHBondContact CA-O 3.48Å
173	A	93.2	Very high	91.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.2	165.1	0	0	0	0	0	108.7	R175 A199 K200 T202 D231 D235	A173-R175 HydrophobicContact CB-CG 3.77Å; A173-A199 CarbonylContact O-C 3.59Å; A173-A199 WeakPolarHBondContact O-CA 3.45Å; A173-K200 PolarHBondContact N-O 3.45Å; A173-K200 PolarHBondContact O-N 3.06Å; A173-T202 HydrophobicContact CB-CG2 3.73Å; A173-D231 HydrophobicContact CB-CB 3.83Å; A173-D231 WeakPolarHBondContact CB-O 3.32Å; A173-D235 WeakPolarHBondContact CA-OD2 3.5Å
174	H	93	Very high	91.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.			trans	-76.4	-42.2	179.1	-172.6	-95	0	0	0	111.3	L167 D176 I177 L193 T194 D195 F196 F198 A199 D235	L167-H174 HydrophobicContact CD1-CB 3.97Å; H174-D176 PolarHBondContact CE1-O 3.41Å; H174-D176 VanDerWaalsContact CE1-O 3.31Å; H174-D176 PolarHBondContact ND1-N 3.11Å; H174-D176 PolarHBondContact ND1-O 3.48Å; H174-D176 PolarHBondContact O-N 3.37Å; H174-D176 VanDerWaalsContact O-N 3.09Å; H174-I177 HydrophobicContact CB-CD1 3.57Å; H174-I177 HydrophobicContact CB-CG1 4.38Å; H174-I177 PolarHBondContact ND1-N 3.26Å; H174-L193 HydrophobicContact CB-CD2 4.23Å; H174-T194 PolarHBondContact CE1-O 2.91Å; H174-T194 PolarHBondContact NE2-O 3.01Å; H174-D195 PolarHBondContact CE1-O 3.35Å; H174-D195 PolarHBondContact NE2-O 3.21Å; H174-D195 VanDerWaalsContact NE2-O 3.16Å; H174-F196 AromaticContact NE2-CD2 3.94Å; H174-F198 CarbonylContact O-C 3.57Å; H174-A199 WeakPolarHBondContact O-CA 3.34Å; H174-A199 PolarHBondContact O-N 3.23Å; H174-D235 PolarHBondContact N-OD1 2.8Å; H174-D235 PolarHBondContact N-OD2 3.03Å
175	R	90.1	Very high	90.8	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.087	16%	0.16	C	C	.	.	S	Bend	trans	65.8	-3.4	178.9	-50.2	-169.3	-60.1	163.5	6.5	115.6	A173 F198 D231 D235 R354 V355	A173-R175 HydrophobicContact CB-CG 3.77Å; R175-F198 HydrophobicContact CB-CB 4.34Å; R175-F198 VanDerWaalsContact CZ-O 3.28Å; R175-F198 PolarHBondContact NE-O 2.78Å; R175-F198 PolarHBondContact NH2-O 3.46Å; R175-D231 WeakPolarHBondContact CD-OD1 3.48Å; R175-D231 IonicContact CZ-OD1 3.95Å; R175-D231 IonicContact NE-OD1 3.03Å; R175-D231 IonicContact NH1-OD1 3.93Å; R175-D231 PolarHBondContact NH1-OD1 3.21Å; R175-D235 WeakPolarHBondContact CA-OD1 3.39Å; R175-D235 PolarHBondContact N-OD1 3.49Å; R175-R354 HydrophobicContact CB-CG 4.22Å; R175-R354 PolarHBondContact O-NE 3.46Å; R175-R354 PolarHBondContact O-NH2 2.81Å; R175-V355 PolarHBondContact NH1-O 3.49Å
176	D	88	Confident	90	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	17%	0.167	C	C	.	.			trans	-137.4	43.3	177.5	-156.1	17.6	0	0	0	114.3	H174 K178 A179 F198 R354	H174-D176 PolarHBondContact CE1-O 3.41Å; H174-D176 VanDerWaalsContact CE1-O 3.31Å; H174-D176 PolarHBondContact ND1-N 3.11Å; H174-D176 PolarHBondContact ND1-O 3.48Å; H174-D176 PolarHBondContact O-N 3.37Å; H174-D176 VanDerWaalsContact O-N 3.09Å; D176-K178 VanDerWaalsContact C-N 3.26Å; D176-K178 PolarHBondContact O-N 3.44Å; D176-A179 PolarHBondContact O-N 2.93Å; D176-F198 HydrophobicContact CB-CB 4.26Å; D176-F198 HydrophobicContact CB-CD2 3.75Å; D176-F198 HydrophobicContact CB-CG 4.38Å; D176-F198 VanDerWaalsContact OD2-CD2 3.24Å; D176-F198 WeakPolarHBondContact OD2-CD2 3.47Å; D176-F198 WeakPolarHBondContact OD2-CE2 3.26Å; D176-R354 IonicContact OD1-CZ 3.84Å; D176-R354 IonicContact OD1-NH2 3.9Å; D176-R354 PolarHBondContact OD1-NH2 2.89Å; D176-R354 IonicContact OD2-NH2 3.84Å
177	I	91	Very high	89.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-43.4	-173.1	-62.1	-64.8	0	0	0	112.1	I160 I164 H174 A179 G180 L181 L193 D235	I160-I177 HydrophobicContact CG2-CG2 4.13Å; I164-I177 HydrophobicContact CD1-CD1 4.04Å; I164-I177 HydrophobicContact CD1-CG1 4.17Å; I164-I177 HydrophobicContact CD1-CG2 4.46Å; I164-I177 HydrophobicContact CG1-CD1 3.76Å; I164-I177 HydrophobicContact CG1-CG1 4.42Å; H174-I177 HydrophobicContact CB-CD1 3.57Å; H174-I177 HydrophobicContact CB-CG1 4.38Å; H174-I177 PolarHBondContact ND1-N 3.26Å; I177-A179 PolarHBondContact O-N 2.83Å; I177-G180 PolarHBondContact O-N 3.49Å; I177-L181 HydrophobicContact CG2-CD1 4.16Å; I177-L181 HydrophobicContact CG2-CD2 4.46Å; I177-L181 HydrophobicContact CG2-CG 4.38Å; I177-L181 WeakPolarHBondContact O-CG 3.24Å; I177-L193 HydrophobicContact CD1-CD1 3.9Å; I177-L193 HydrophobicContact CD1-CD2 3.67Å; I177-L193 HydrophobicContact CD1-CG 4.47Å; I177-D235 HydrophobicContact CD1-CB 4.38Å; I177-D235 HydrophobicContact CG1-CB 3.94Å; I177-D235 WeakPolarHBondContact CG1-OD1 3.34Å
178	K	80.6	Confident	88.5	Confident	21 Å²	21	32.9 Å²	32.9	9%	0.091	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-56	-50.4	-174.4	-169.6	-146.6	-179.9	145.3	0	113.4	F137 D176 G180 V242 M346 L350	F137-K178 HydrophobicContact CE2-CG 4.47Å; D176-K178 VanDerWaalsContact C-N 3.26Å; D176-K178 PolarHBondContact O-N 3.44Å; K178-G180 VanDerWaalsContact C-N 3.25Å; K178-G180 PolarHBondContact O-N 3.26Å; K178-V242 HydrophobicContact CB-CG2 4.44Å; K178-V242 HydrophobicContact CG-CG2 4.33Å; K178-M346 HydrophobicContact CD-CB 4.12Å; K178-M346 HydrophobicContact CD-CE 3.68Å; K178-M346 HydrophobicContact CD-SD 4.43Å; K178-M346 HydrophobicContact CG-CE 4.02Å; K178-M346 VanDerWaalsContact NZ-CB 3.32Å; K178-M346 PolarHBondContact NZ-SD 3.46Å; K178-L350 HydrophobicContact CB-CD1 4.26Å
179	A	76.7	Confident	88	Confident	57 Å²	57	33 Å²	33	47%	0.471	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-72.7	-21.6	-176.1	0	0	0	0	0	112.5	D176 I177	D176-A179 PolarHBondContact O-N 2.93Å; I177-A179 PolarHBondContact O-N 2.83Å
180	G	79.4	Confident	88	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-87	1.6	-176.1	0	0	0	0	0	115.9	I177 K178 L193 T194	I177-G180 PolarHBondContact O-N 3.49Å; K178-G180 VanDerWaalsContact C-N 3.25Å; K178-G180 PolarHBondContact O-N 3.26Å; G180-L193 CarbonylContact O-C 3.56Å; G180-L193 VanDerWaalsContact O-CA 3.29Å; G180-L193 WeakPolarHBondContact O-CA 3.34Å; G180-T194 WeakPolarHBondContact CA-O 3.32Å; G180-T194 WeakPolarHBondContact O-CG2 3.32Å; G180-T194 PolarHBondContact O-N 2.9Å
181	L	91	Very high	88.2	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	109.4	-172	-69.2	172.8	0	0	0	113	E135 L136 I160 I177 I191 L193 V242	E135-L181 WeakPolarHBondContact CA-O 3.39Å; L136-L181 HydrophobicContact CB-CB 3.98Å; L136-L181 HydrophobicContact CD2-CB 4.26Å; L136-L181 HydrophobicContact CD2-CD1 3.73Å; L136-L181 PolarHBondContact N-O 2.96Å; I160-L181 HydrophobicContact CD1-CD1 3.71Å; I160-L181 HydrophobicContact CD1-CD2 3.95Å; I160-L181 HydrophobicContact CD1-CG 4.48Å; I160-L181 HydrophobicContact CG1-CD1 4.41Å; I160-L181 HydrophobicContact CG1-CD2 3.7Å; I160-L181 HydrophobicContact CG2-CD2 4.25Å; I177-L181 HydrophobicContact CG2-CD1 4.16Å; I177-L181 HydrophobicContact CG2-CD2 4.46Å; I177-L181 HydrophobicContact CG2-CG 4.38Å; I177-L181 WeakPolarHBondContact O-CG 3.24Å; L181-I191 HydrophobicContact CB-CD1 4.16Å; L181-I191 HydrophobicContact CD2-CD1 4.09Å; L181-I191 HydrophobicContact CD2-CG1 4.28Å; L181-L193 HydrophobicContact CD2-CD1 4.29Å; L181-V242 HydrophobicContact CD1-CG1 4.03Å; L181-V242 HydrophobicContact CD1-CG2 4.15Å
182	V	92.8	Very high	88.4	Confident	19 Å²	19	28.8 Å²	28.8	12%	0.115	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.3	-177	-69.5	0	0	0	0	111.9	V108 M131 E135 K192 T194	V108-V182 HydrophobicContact CG2-CG2 4.08Å; M131-V182 HydrophobicContact CB-CB 4.35Å; M131-V182 HydrophobicContact CB-CG2 4.19Å; M131-V182 HydrophobicContact CE-CB 4.44Å; M131-V182 HydrophobicContact CE-CG2 3.76Å; M131-V182 HydrophobicContact CG-CG2 3.91Å; E135-V182 HydrophobicContact CG-CG1 4.22Å; V182-K192 PolarHBondContact N-O 2.76Å; V182-K192 PolarHBondContact O-N 2.87Å; V182-T194 HydrophobicContact CG1-CG2 4.32Å; V182-T194 HydrophobicContact CG2-CG2 3.93Å
183	F	93.8	Very high	88.6	Confident	22 Å²	22	28.9 Å²	28.9	10%	0.096	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.4	174.6	-74.6	-76.3	0	0	0	111.3	G133 G134 L136 R139 I156 A185 G189 I191	G133-F183 VanDerWaalsContact CA-O 3.25Å; G133-F183 WeakPolarHBondContact CA-O 3.39Å; G133-F183 PolarHBondContact N-O 3.35Å; G134-F183 PolarHBondContact O-N 3.15Å; L136-F183 HydrophobicContact CB-CE2 4.46Å; L136-F183 HydrophobicContact CD1-CE2 3.62Å; L136-F183 HydrophobicContact CD1-CZ 3.76Å; R139-F183 HydrophobicContact CB-CD2 3.55Å; R139-F183 HydrophobicContact CB-CE2 3.74Å; R139-F183 HydrophobicContact CG-CD2 3.54Å; R139-F183 HydrophobicContact CG-CE2 3.71Å; R139-F183 HydrophobicContact CG-CG 4.27Å; I156-F183 HydrophobicContact CD1-CZ 4.15Å; I156-F183 HydrophobicContact CG1-CZ 4.36Å; F183-A185 PolarHBondContact O-N 3.08Å; F183-G189 VanDerWaalsContact CD1-O 3.26Å; F183-G189 WeakPolarHBondContact CD1-O 3.09Å; F183-I191 HydrophobicContact CD1-CB 4.07Å; F183-I191 HydrophobicContact CE1-CB 3.92Å; F183-I191 HydrophobicContact CE1-CG1 4.46Å; F183-I191 HydrophobicContact CZ-CD1 4.38Å
184	A	91.8	Very high	88.6	Confident	26 Å²	26	30.1 Å²	30.1	22%	0.215	19%	0.193	C	C	.	.	S	Bend	trans	-63.5	-39.9	-179.5	0	0	0	0	0	113.2	M131 E132 V190	M131-A184 HydrophobicContact CE-CB 3.9Å; M131-A184 HydrophobicContact SD-CB 4.48Å; E132-A184 PolarHBondContact N-O 3.12Å; A184-V190 PolarHBondContact N-O 2.69Å
185	A	90.1	Very high	88.4	Confident	38 Å²	38	31.1 Å²	31.1	31%	0.314	20%	0.198	S	C	.	.	S	Bend	trans	-139.6	162.3	-175	0	0	0	0	0	111.9	G133 F183 G187	G133-A185 WeakPolarHBondContact CA-O 3.49Å; F183-A185 PolarHBondContact O-N 3.08Å; A185-G187 PolarHBondContact O-N 3.13Å
186	T	80.2	Confident	88.5	Confident	93 Å²	93	30 Å²	30	57%	0.571	19%	0.194	S	C	*	.	S	Bend	trans	-70.8	-9.5	-176.4	47.2	0	0	0	0	114.6	E132 R139	E132-T186 VanDerWaalsContact O-CG2 3.26Å; E132-T186 WeakPolarHBondContact O-CG2 3.34Å; R139-T186 PolarHBondContact NE-O 2.85Å; R139-T186 PolarHBondContact NH2-O 3.48Å
187	G	82.3	Confident	88.5	Confident	43 Å²	43	30.1 Å²	30.1	44%	0.443	20%	0.195	S	C	.	.	S	Bend	trans	-109	-117.5	178.9	0	0	0	0	0	113.6	R139 A185 G189	R139-G187 PolarHBondContact NH2-O 3.23Å; A185-G187 PolarHBondContact O-N 3.13Å; G187-G189 PolarHBondContact O-N 3.39Å
188	D	80.6	Confident	88.3	Confident	163 Å²	163	32 Å²	32	87%	0.872	20%	0.204	S	C	*	.	S	Bend	trans	-73.2	30.3	173.9	61.8	-23.2	0	0	0	113.1	V190	D188-V190 PolarHBondContact O-N 3.26Å
189	G	84.4	Confident	88.8	Confident	14 Å²	14	31.3 Å²	31.3	14%	0.144	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-60.6	135.1	-179.2	0	0	0	0	0	111.3	F183 G187	F183-G189 VanDerWaalsContact CD1-O 3.26Å; F183-G189 WeakPolarHBondContact CD1-O 3.09Å; G187-G189 PolarHBondContact O-N 3.39Å
190	V	93	Very high	89.5	Confident	42 Å²	42	29.7 Å²	29.7	26%	0.255	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-68.9	139.1	171	176.6	0	0	0	0	109.2	R105 N106 A184 D188	R105-V190 VanDerWaalsContact NH2-CG2 3.3Å; N106-V190 VanDerWaalsContact ND2-CG1 3.26Å; N106-V190 WeakPolarHBondContact ND2-CG1 3.49Å; A184-V190 PolarHBondContact N-O 2.69Å; D188-V190 PolarHBondContact O-N 3.26Å
191	I	95.8	Very high	89.9	Confident	3 Å²	3	34 Å²	34	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.4	172.6	-166.6	168.5	0	0	0	110.2	N106 L136 I156 D159 I160 L181 F183	N106-I191 PolarHBondContact ND2-O 3.35Å; L136-I191 HydrophobicContact CB-CD1 4.32Å; L136-I191 HydrophobicContact CD1-CD1 3.89Å; L136-I191 HydrophobicContact CD2-CD1 4.12Å; L136-I191 HydrophobicContact CG-CD1 4.33Å; I156-I191 HydrophobicContact CG2-CD1 3.77Å; D159-I191 HydrophobicContact CB-CG2 3.38Å; I160-I191 HydrophobicContact CD1-CD1 4.07Å; I160-I191 HydrophobicContact CG1-CD1 4.15Å; I160-I191 HydrophobicContact CG1-CG2 4.26Å; L181-I191 HydrophobicContact CB-CD1 4.16Å; L181-I191 HydrophobicContact CD2-CD1 4.09Å; L181-I191 HydrophobicContact CD2-CG1 4.28Å; F183-I191 HydrophobicContact CD1-CB 4.07Å; F183-I191 HydrophobicContact CE1-CB 3.92Å; F183-I191 HydrophobicContact CE1-CG1 4.46Å; F183-I191 HydrophobicContact CZ-CD1 4.38Å
192	K	96.8	Very high	89.5	Confident	29 Å²	29	33.9 Å²	33.9	13%	0.126	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.5	178.9	-50.8	-167.7	177.9	-168.7	0	111.5	R105 N106 V108 E129 M131 V182	R105-K192 WeakPolarHBondContact O-CD 3.48Å; R105-K192 WeakPolarHBondContact O-CE 3.24Å; N106-K192 CarbonylContact O-C 3.17Å; N106-K192 VanDerWaalsContact O-CA 3.26Å; N106-K192 WeakPolarHBondContact O-CA 3.4Å; V108-K192 HydrophobicContact CG2-CB 4.01Å; E129-K192 WeakPolarHBondContact OE1-CD 3.47Å; E129-K192 IonicContact OE1-NZ 2.75Å; E129-K192 PolarHBondContact OE1-NZ 3Å; E129-K192 IonicContact OE2-NZ 3.19Å; E129-K192 PolarHBondContact OE2-NZ 2.9Å; M131-K192 HydrophobicContact CE-CB 3.79Å; M131-K192 HydrophobicContact CE-CD 3.73Å; M131-K192 HydrophobicContact CE-CG 3.78Å; M131-K192 HydrophobicContact SD-CD 4.33Å; V182-K192 PolarHBondContact N-O 2.76Å; V182-K192 PolarHBondContact O-N 2.87Å
193	L	96.2	Very high	88.4	Confident	4 Å²	4	38 Å²	38	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.4	174.1	-172.4	63.6	0	0	0	110.7	N106 I107 V108 A163 L167 H174 I177 G180 L181	N106-L193 PolarHBondContact O-N 3.25Å; I107-L193 HydrophobicContact CG1-CB 4.49Å; V108-L193 PolarHBondContact N-O 3.38Å; A163-L193 HydrophobicContact CB-CB 4.3Å; A163-L193 HydrophobicContact CB-CD2 4.48Å; L167-L193 HydrophobicContact CD1-CD2 3.65Å; H174-L193 HydrophobicContact CB-CD2 4.23Å; I177-L193 HydrophobicContact CD1-CD1 3.9Å; I177-L193 HydrophobicContact CD1-CD2 3.67Å; I177-L193 HydrophobicContact CD1-CG 4.47Å; G180-L193 CarbonylContact O-C 3.56Å; G180-L193 VanDerWaalsContact O-CA 3.29Å; G180-L193 WeakPolarHBondContact O-CA 3.34Å; L181-L193 HydrophobicContact CD2-CD1 4.29Å
194	T	92.9	Very high	86.4	Confident	26 Å²	26	39.5 Å²	39.5	16%	0.16	23%	0.233	C	C	.	.			trans	-133.1	177.5	176	-162.6	0	0	0	0	110.8	H174 G180 V182	H174-T194 PolarHBondContact CE1-O 2.91Å; H174-T194 PolarHBondContact NE2-O 3.01Å; G180-T194 WeakPolarHBondContact CA-O 3.32Å; G180-T194 WeakPolarHBondContact O-CG2 3.32Å; G180-T194 PolarHBondContact O-N 2.9Å; V182-T194 HydrophobicContact CG1-CG2 4.32Å; V182-T194 HydrophobicContact CG2-CG2 3.93Å
195	D	88.9	Confident	84.2	Confident	21 Å²	21	43.4 Å²	43.4	11%	0.112	26%	0.255	C	S	.	.			trans	63.3	73	174.8	-156.7	7.2	0	0	0	115.9	K83 H174 G197	K83-D195 IonicContact NZ-OD1 2.73Å; K83-D195 PolarHBondContact NZ-OD1 3.25Å; H174-D195 PolarHBondContact CE1-O 3.35Å; H174-D195 PolarHBondContact NE2-O 3.21Å; H174-D195 VanDerWaalsContact NE2-O 3.16Å; D195-G197 PolarHBondContact O-N 3.25Å
196	F	92.3	Very high	82	Confident	1 Å²	1	48.4 Å²	48.4	0%	0.004	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-76.9	18	179.2	-78.8	-117.3	0	0	0	113.7	E94 L97 H98 A101 I107 L167 H174 F198 A199	E94-F196 HydrophobicContact CG-CB 4.06Å; L97-F196 HydrophobicContact CB-CD1 4.05Å; H98-F196 HydrophobicContact CB-CB 4.04Å; H98-F196 HydrophobicContact CB-CD1 4.25Å; H98-F196 HydrophobicContact CB-CD2 3.98Å; H98-F196 HydrophobicContact CB-CG 3.83Å; H98-F196 AromaticContact CD2-CD2 3.86Å; H98-F196 AromaticContact CD2-CE2 3.77Å; H98-F196 AromaticContact CG-CD2 3.63Å; H98-F196 AromaticContact ND1-CD2 3.86Å; A101-F196 HydrophobicContact CB-CE1 3.84Å; A101-F196 HydrophobicContact CB-CZ 3.89Å; I107-F196 HydrophobicContact CD1-CZ 4.38Å; I107-F196 HydrophobicContact CG2-CE2 3.95Å; I107-F196 HydrophobicContact CG2-CZ 3.89Å; L167-F196 HydrophobicContact CD1-CE1 4.21Å; L167-F196 HydrophobicContact CD1-CZ 4.13Å; L167-F196 HydrophobicContact CD2-CE1 3.64Å; L167-F196 HydrophobicContact CD2-CZ 3.89Å; H174-F196 AromaticContact NE2-CD2 3.94Å; F196-F198 PolarHBondContact O-N 2.84Å; F196-F198 VanDerWaalsContact O-N 3.14Å; F196-A199 HydrophobicContact CB-CB 3.87Å; F196-A199 HydrophobicContact CD1-CB 3.68Å; F196-A199 HydrophobicContact CG-CB 4.12Å; F196-A199 VanDerWaalsContact O-CB 3.27Å; F196-A199 WeakPolarHBondContact O-CB 3.36Å; F196-A199 PolarHBondContact O-N 2.69Å
197	G	88	Confident	79.9	Confident	5 Å²	5	48.3 Å²	48.3	5%	0.052	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-65.5	-18.4	-173.2	0	0	0	0	0	115.8	N65 K90 E94 D195	N65-G197 VanDerWaalsContact ND2-CA 3.32Å; N65-G197 WeakPolarHBondContact ND2-CA 3.42Å; K90-G197 WeakPolarHBondContact CE-O 3.28Å; E94-G197 WeakPolarHBondContact OE2-CA 3.42Å; D195-G197 PolarHBondContact O-N 3.25Å
198	F	87.4	Confident	77.6	Confident	40 Å²	40	56.7 Å²	56.7	18%	0.175	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-108.4	-2.7	171	-63.9	-78.1	0	0	0	113.2	I64 H174 R175 D176 F196	I64-F198 HydrophobicContact CD1-CE2 3.96Å; I64-F198 HydrophobicContact CD1-CZ 4.12Å; H174-F198 CarbonylContact O-C 3.57Å; R175-F198 HydrophobicContact CB-CB 4.34Å; R175-F198 VanDerWaalsContact CZ-O 3.28Å; R175-F198 PolarHBondContact NE-O 2.78Å; R175-F198 PolarHBondContact NH2-O 3.46Å; D176-F198 HydrophobicContact CB-CB 4.26Å; D176-F198 HydrophobicContact CB-CD2 3.75Å; D176-F198 HydrophobicContact CB-CG 4.38Å; D176-F198 VanDerWaalsContact OD2-CD2 3.24Å; D176-F198 WeakPolarHBondContact OD2-CD2 3.47Å; D176-F198 WeakPolarHBondContact OD2-CE2 3.26Å; F196-F198 PolarHBondContact O-N 2.84Å; F196-F198 VanDerWaalsContact O-N 3.14Å
199	A	91.5	Very high	75.3	Confident	7 Å²	7	54.6 Å²	54.6	6%	0.058	29%	0.289	C	S	.	.			trans	-65.1	145.9	-176.2	0	0	0	0	0	111.1	L97 V172 A173 H174 F196	L97-A199 HydrophobicContact CD1-CB 3.9Å; L97-A199 WeakPolarHBondContact CD1-O 3.36Å; V172-A199 HydrophobicContact CG1-CB 4.34Å; A173-A199 CarbonylContact O-C 3.59Å; A173-A199 WeakPolarHBondContact O-CA 3.45Å; H174-A199 WeakPolarHBondContact O-CA 3.34Å; H174-A199 PolarHBondContact O-N 3.23Å; F196-A199 HydrophobicContact CB-CB 3.87Å; F196-A199 HydrophobicContact CD1-CB 3.68Å; F196-A199 HydrophobicContact CG-CB 4.12Å; F196-A199 VanDerWaalsContact O-CB 3.27Å; F196-A199 WeakPolarHBondContact O-CB 3.36Å; F196-A199 PolarHBondContact O-N 2.69Å
200	K	89.6	Confident	72.8	Confident	23 Å²	23	60.9 Å²	60.9	10%	0.1	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.5	-177.9	-161.8	-172.4	165.8	-176.4	0	110.6	V172 A173 Y357	V172-K200 WeakPolarHBondContact CA-O 3.48Å; A173-K200 PolarHBondContact N-O 3.45Å; A173-K200 PolarHBondContact O-N 3.06Å; K200-Y357 HydrophobicContact CD-CD2 4.11Å; K200-Y357 HydrophobicContact CD-CE2 4.14Å; K200-Y357 VanDerWaalsContact NZ-CG 3.29Å
201	K	89	Confident	70.2	Confident	90 Å²	90	68 Å²	68	39%	0.391	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.7	163.4	-62.6	-173.6	-176.8	163.4	0	109.1	E96 L97 N171	E96-K201 IonicContact OE1-NZ 2.74Å; E96-K201 PolarHBondContact OE1-NZ 2.91Å; L97-K201 HydrophobicContact CD2-CD 4.38Å; L97-K201 HydrophobicContact CD2-CG 3.73Å; N171-K201 CarbonylContact O-C 3.58Å; N171-K201 WeakPolarHBondContact O-CA 3.44Å
202	T	82.2	Confident	67.3	Low	3 Å²	3	72.8 Å²	72.8	2%	0.018	38%	0.378	C	S	.	.	S	Bend	trans	-90.1	-19.8	-177	59.1	0	0	0	0	112.7	N171 A173 D231 K232	N171-T202 PolarHBondContact O-N 3.04Å; N171-T202 PolarHBondContact O-OG1 2.96Å; A173-T202 HydrophobicContact CB-CG2 3.73Å; T202-D231 HydrophobicContact CG2-CB 3.9Å; T202-K232 HydrophobicContact CG2-CG 4.09Å; T202-K232 WeakPolarHBondContact OG1-CE 3.35Å
203	E	69.6	Low	64.2	Low	105 Å²	105	77.3 Å²	77.3	49%	0.491	41%	0.411	S	S	.	.	S	Bend	trans	-77.5	120.1	169.7	-70.7	178.3	160.1	0	0	110.3	N171 T205	N171-E203 HydrophobicContact CB-CG 3.92Å; N171-E203 PolarHBondContact ND2-OE1 3.34Å; N171-E203 PolarHBondContact ND2-OE2 2.85Å; E203-T205 VanDerWaalsContact C-N 3.33Å; E203-T205 PolarHBondContact O-N 3.11Å
204	C	52.9	Low	61.2	Low	54 Å²	54	81.8 Å²	81.8	37%	0.365	44%	0.441	S	S	.	.			trans	-73.7	83.7	172.1	-80.6	0	0	0	0	110.5	D206 I224	C204-D206 PolarHBondContact O-N 3.37Å; C204-I224 HydrophobicContact CB-CG1 4.5Å; C204-I224 HydrophobicContact CB-CG2 4.07Å
205	T	45.1	Very low	58.3	Low	108 Å²	108	91.7 Å²	91.7	66%	0.663	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	2.6	163.8	53	0	0	0	0	113.1	E203 V207	E203-T205 VanDerWaalsContact C-N 3.33Å; E203-T205 PolarHBondContact O-N 3.11Å; T205-V207 PolarHBondContact O-N 2.92Å
206	D	42.9	Very low	55.8	Low	143 Å²	143	93.7 Å²	93.7	77%	0.765	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	2.8	176.4	-73.5	-31.3	0	0	0	113.8	C204 R208	C204-D206 PolarHBondContact O-N 3.37Å; D206-R208 VanDerWaalsContact C-N 3.34Å; D206-R208 PolarHBondContact O-N 3.08Å
207	V	35.8	Very low	53.7	Low	91 Å²	91	98.7 Å²	98.7	55%	0.552	52%	0.523	S	S	*	.	S	Bend	trans	-69.5	101.1	155.3	-171	0	0	0	0	105.6	T205	T205-V207 PolarHBondContact O-N 2.92Å
208	R	34.9	Very low	51.6	Low	219 Å²	219	108.2 Å²	108.2	83%	0.826	56%	0.559	S	S	*	*			trans	-32.4	132.4	171	-74.7	-176.9	-178.9	-172.8	0.6	108.9	D206 L210	D206-R208 VanDerWaalsContact C-N 3.34Å; D206-R208 PolarHBondContact O-N 3.08Å; R208-L210 VanDerWaalsContact C-N 3.32Å; R208-L210 PolarHBondContact O-N 2.95Å
209	P	32.4	Very low	49.9	Very low	119 Å²	119	115.6 Å²	115.6	77%	0.773	59%	0.587	S	S	*	*			trans	-56.6	100.9	-177.3	23.1	-31.5	0	0	0	108.3	E211	P209-E211 PolarHBondContact O-N 3.09Å
210	L	31.8	Very low	47.9	Very low	145 Å²	145	118.4 Å²	118.4	76%	0.759	60%	0.603	S	S	*	*			trans	-59.5	124.7	152.6	-76.5	157.6	0	0	0	103.4	R208 T212	R208-L210 VanDerWaalsContact C-N 3.32Å; R208-L210 PolarHBondContact O-N 2.95Å; L210-T212 PolarHBondContact O-N 3.32Å
211	E	37.5	Very low	45.9	Very low	192 Å²	192	118.6 Å²	118.6	90%	0.897	61%	0.609	S	S	*	*	S	Bend	trans	-66.6	47.4	-167.8	-62.1	175.8	139.3	0	0	113.2	P209	P209-E211 PolarHBondContact O-N 3.09Å
212	T	34.8	Very low	44.3	Very low	104 Å²	104	119.1 Å²	119.1	64%	0.638	62%	0.621	S	S	*	*			trans	-148.1	103.2	-174.9	-34.4	0	0	0	0	110.1	L210 C214	L210-T212 PolarHBondContact O-N 3.32Å; T212-C214 PolarHBondContact O-N 3.42Å
213	P	33.6	Very low	43	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	65%	0.646	S	S	*	*			trans	-74.7	98.8	172.4	29.9	-28.7	0	0	0	108.2
214	C	32.5	Very low	42.3	Very low	98 Å²	98	121.5 Å²	121.5	66%	0.662	63%	0.633	S	S	*	*			trans	-132.4	90	166	-74.2	0	0	0	0	107.9	T212 T216	T212-C214 PolarHBondContact O-N 3.42Å; C214-T216 PolarHBondContact O-N 2.86Å
215	Y	30.8	Very low	42.5	Very low	234 Å²	234	122.7 Å²	122.7	92%	0.918	64%	0.636	S	S	*	*			trans	-60.7	106	164.6	-84.7	-93.3	0	0	0	107.9
216	T	36.3	Very low	43.2	Very low	62 Å²	62	119.2 Å²	119.2	38%	0.38	62%	0.618	S	S	.	*			trans	-143.8	106.4	170.1	-54.3	0	0	0	0	107.6	C214 Y218 Y219	C214-T216 PolarHBondContact O-N 2.86Å; T216-Y218 HydrophobicContact CG2-CD2 3.63Å; T216-Y218 HydrophobicContact CG2-CE2 4.45Å; T216-Y218 HydrophobicContact CG2-CG 4.49Å; T216-Y218 PolarHBondContact O-N 3.13Å; T216-Y219 HydrophobicContact CG2-CD2 4.06Å; T216-Y219 HydrophobicContact CG2-CE2 3.73Å
217	P	49.9	Very low	44.4	Very low	107 Å²	107	113.8 Å²	113.8	70%	0.695	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-64.7	-6.9	-170.9	22	-31.4	0	0	0	115	Y219	P217-Y219 VanDerWaalsContact C-N 3.28Å; P217-Y219 PolarHBondContact O-N 3.39Å
218	Y	42.7	Very low	46	Very low	205 Å²	205	111.5 Å²	111.5	80%	0.804	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-75.9	-6.6	-176.4	-60.2	-69.8	0	0	0	115.1	T216	T216-Y218 HydrophobicContact CG2-CD2 3.63Å; T216-Y218 HydrophobicContact CG2-CE2 4.45Å; T216-Y218 HydrophobicContact CG2-CG 4.49Å; T216-Y218 PolarHBondContact O-N 3.13Å
219	Y	51.1	Low	47.8	Very low	195 Å²	195	105.8 Å²	105.8	77%	0.765	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-111.5	7.2	-173.1	-59.7	-74.5	0	0	0	115	T216 P217 A221	T216-Y219 HydrophobicContact CG2-CD2 4.06Å; T216-Y219 HydrophobicContact CG2-CE2 3.73Å; P217-Y219 VanDerWaalsContact C-N 3.28Å; P217-Y219 PolarHBondContact O-N 3.39Å; Y219-A221 PolarHBondContact O-N 2.94Å
220	V	50.5	Low	50	Low	65 Å²	65	105.1 Å²	105.1	39%	0.394	54%	0.537	S	S	.	.			trans	-72.5	119.9	-180	-170.4	0	0	0	0	109.2	I224 L225	V220-I224 HydrophobicContact CG1-CB 3.85Å; V220-I224 HydrophobicContact CG1-CG2 3.85Å; V220-L225 HydrophobicContact CB-CD1 4.33Å; V220-L225 HydrophobicContact CB-CD2 4.19Å; V220-L225 HydrophobicContact CB-CG 4.12Å; V220-L225 HydrophobicContact CG1-CD1 4.4Å; V220-L225 HydrophobicContact CG1-CD2 3.77Å; V220-L225 HydrophobicContact CG1-CG 3.68Å
221	A	47.4	Very low	52.5	Low	27 Å²	27	98.4 Å²	98.4	22%	0.223	50%	0.502	C	S	.	.			trans	-63.1	140.9	-179.5	0	0	0	0	0	110.7	Y219 E223 I224 L225	Y219-A221 PolarHBondContact O-N 2.94Å; A221-E223 HydrophobicContact CB-CG 4.41Å; A221-E223 WeakPolarHBondContact CB-OE1 3.5Å; A221-E223 VanDerWaalsContact CB-OE2 3.24Å; A221-E223 WeakPolarHBondContact CB-OE2 3.44Å; A221-E223 PolarHBondContact O-N 2.9Å; A221-E223 VanDerWaalsContact O-N 3.12Å; A221-I224 HydrophobicContact CB-CD1 4.29Å; A221-I224 HydrophobicContact CB-CG1 4.5Å; A221-I224 WeakPolarHBondContact O-CB 3.36Å; A221-I224 PolarHBondContact O-N 3.21Å; A221-L225 PolarHBondContact O-N 2.82Å
222	P	55.7	Low	55	Low	101 Å²	101	90.8 Å²	90.8	66%	0.656	47%	0.466	S	S	*	.	H	α-helix	trans	-57.9	-30	-173.1	22.5	-33.5	0	0	0	113.2	L225 A226	P222-L225 PolarHBondContact O-N 3.25Å; P222-A226 VanDerWaalsContact O-CB 3.24Å; P222-A226 WeakPolarHBondContact O-CB 3.29Å; P222-A226 PolarHBondContact O-N 2.94Å
223	E	55.5	Low	57.7	Low	116 Å²	116	86.3 Å²	86.3	54%	0.542	44%	0.439	S	S	.	.	H	α-helix	trans	-65.3	-35.1	175.2	66.6	-83.1	-162.7	0	0	112.9	A221 A226 T227	A221-E223 HydrophobicContact CB-CG 4.41Å; A221-E223 WeakPolarHBondContact CB-OE1 3.5Å; A221-E223 VanDerWaalsContact CB-OE2 3.24Å; A221-E223 WeakPolarHBondContact CB-OE2 3.44Å; A221-E223 PolarHBondContact O-N 2.9Å; A221-E223 VanDerWaalsContact O-N 3.12Å; E223-A226 PolarHBondContact O-N 3.13Å; E223-T227 VanDerWaalsContact O-CG2 3.28Å; E223-T227 WeakPolarHBondContact O-CG2 3.44Å; E223-T227 PolarHBondContact O-N 3.22Å; E223-T227 PolarHBondContact O-OG1 2.81Å
224	I	54.5	Low	60.3	Low	43 Å²	43	80.5 Å²	80.5	22%	0.221	40%	0.401	C	S	.	.	H	α-helix	trans	-70.5	-47.3	177.7	-61.7	171.6	0	0	0	109.2	C204 V220 A221 A226 T227 E228	C204-I224 HydrophobicContact CB-CG1 4.5Å; C204-I224 HydrophobicContact CB-CG2 4.07Å; V220-I224 HydrophobicContact CG1-CB 3.85Å; V220-I224 HydrophobicContact CG1-CG2 3.85Å; A221-I224 HydrophobicContact CB-CD1 4.29Å; A221-I224 HydrophobicContact CB-CG1 4.5Å; A221-I224 WeakPolarHBondContact O-CB 3.36Å; A221-I224 PolarHBondContact O-N 3.21Å; I224-A226 VanDerWaalsContact C-N 3.26Å; I224-A226 PolarHBondContact O-N 3.48Å; I224-T227 WeakPolarHBondContact CA-OG1 3.45Å; I224-T227 PolarHBondContact O-N 3.25Å; I224-T227 PolarHBondContact O-OG1 2.81Å; I224-E228 PolarHBondContact O-N 2.75Å
225	L	57.7	Low	63.2	Low	79 Å²	79	75.9 Å²	75.9	41%	0.414	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-37.5	175.2	-65.5	174.6	0	0	0	111.7	V220 A221 P222 K229	V220-L225 HydrophobicContact CB-CD1 4.33Å; V220-L225 HydrophobicContact CB-CD2 4.19Å; V220-L225 HydrophobicContact CB-CG 4.12Å; V220-L225 HydrophobicContact CG1-CD1 4.4Å; V220-L225 HydrophobicContact CG1-CD2 3.77Å; V220-L225 HydrophobicContact CG1-CG 3.68Å; A221-L225 PolarHBondContact O-N 2.82Å; P222-L225 PolarHBondContact O-N 3.25Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.28Å; L225-K229 VanDerWaalsContact O-N 3.15Å
226	A	59.7	Low	66.3	Low	35 Å²	35	64.9 Å²	64.9	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-51.3	173.9	0	0	0	0	0	110.2	P222 E223 I224 E228 K229 Y230	P222-A226 VanDerWaalsContact O-CB 3.24Å; P222-A226 WeakPolarHBondContact O-CB 3.29Å; P222-A226 PolarHBondContact O-N 2.94Å; E223-A226 PolarHBondContact O-N 3.13Å; I224-A226 VanDerWaalsContact C-N 3.26Å; I224-A226 PolarHBondContact O-N 3.48Å; A226-E228 VanDerWaalsContact C-N 3.34Å; A226-E228 PolarHBondContact O-N 2.74Å; A226-K229 PolarHBondContact O-N 3.46Å; A226-K229 VanDerWaalsContact O-N 3.15Å; A226-Y230 HydrophobicContact CB-CD2 4.27Å; A226-Y230 HydrophobicContact CB-CE2 4.19Å; A226-Y230 WeakPolarHBondContact O-CD2 3.43Å; A226-Y230 PolarHBondContact O-N 3.11Å
227	T	67.6	Low	68.9	Low	29 Å²	29	62.3 Å²	62.3	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-57.5	-43.4	-179.3	53.2	0	0	0	0	113.3	E223 I224 K229 Y230 D231 Y357	E223-T227 VanDerWaalsContact O-CG2 3.28Å; E223-T227 WeakPolarHBondContact O-CG2 3.44Å; E223-T227 PolarHBondContact O-N 3.22Å; E223-T227 PolarHBondContact O-OG1 2.81Å; I224-T227 WeakPolarHBondContact CA-OG1 3.45Å; I224-T227 PolarHBondContact O-N 3.25Å; I224-T227 PolarHBondContact O-OG1 2.81Å; T227-K229 PolarHBondContact O-N 3Å; T227-Y230 PolarHBondContact O-N 2.87Å; T227-D231 PolarHBondContact O-N 3.03Å; T227-Y357 WeakPolarHBondContact CB-OH 3.26Å; T227-Y357 HydrophobicContact CG2-CE1 3.89Å; T227-Y357 WeakPolarHBondContact CG2-OH 3.47Å
228	E	68.8	Low	71	Confident	43 Å²	43	57.4 Å²	57.4	20%	0.201	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-47.8	176.1	171.8	177.3	-177.6	0	0	111.6	I224 A226 Y230 D231 K232	I224-E228 PolarHBondContact O-N 2.75Å; A226-E228 VanDerWaalsContact C-N 3.34Å; A226-E228 PolarHBondContact O-N 2.74Å; E228-Y230 VanDerWaalsContact C-N 3.35Å; E228-Y230 PolarHBondContact O-N 3.09Å; E228-D231 PolarHBondContact O-N 2.98Å; E228-K232 HydrophobicContact CG-CD 4.17Å; E228-K232 PolarHBondContact O-N 3.29Å; E228-K232 IonicContact OE1-NZ 3.95Å; E228-K232 PolarHBondContact OE1-NZ 3.34Å
229	K	73.3	Confident	73.5	Confident	99 Å²	99	47.6 Å²	47.6	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-43.8	177.2	-73.8	-174.7	177.3	-167.3	0	111	L225 A226 T227 S233	L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.28Å; L225-K229 VanDerWaalsContact O-N 3.15Å; A226-K229 PolarHBondContact O-N 3.46Å; A226-K229 VanDerWaalsContact O-N 3.15Å; T227-K229 PolarHBondContact O-N 3Å; K229-S233 WeakPolarHBondContact O-CB 3.45Å; K229-S233 PolarHBondContact O-N 2.88Å; K229-S233 PolarHBondContact O-OG 2.69Å; K229-S233 VanDerWaalsContact O-OG 3.14Å
230	Y	78.1	Confident	75.6	Confident	105 Å²	105	38.3 Å²	38.3	41%	0.412	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-50.1	178	-83.2	-75.3	0	0	0	111.9	A226 T227 E228 S233 C234 P300	A226-Y230 HydrophobicContact CB-CD2 4.27Å; A226-Y230 HydrophobicContact CB-CE2 4.19Å; A226-Y230 WeakPolarHBondContact O-CD2 3.43Å; A226-Y230 PolarHBondContact O-N 3.11Å; T227-Y230 PolarHBondContact O-N 2.87Å; E228-Y230 VanDerWaalsContact C-N 3.35Å; E228-Y230 PolarHBondContact O-N 3.09Å; Y230-S233 PolarHBondContact O-N 3.14Å; Y230-S233 PolarHBondContact O-OG 2.71Å; Y230-C234 PolarHBondContact O-N 3.18Å; Y230-P300 HydrophobicContact CD1-CB 4.04Å; Y230-P300 HydrophobicContact CD1-CG 3.79Å; Y230-P300 HydrophobicContact CE1-CB 4.07Å; Y230-P300 HydrophobicContact CE1-CG 3.56Å
231	D	84.5	Confident	77.6	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-47.7	-177.9	-80	-41.2	0	0	0	111.4	A173 R175 T202 T227 E228 S233 C234 Y357	A173-D231 HydrophobicContact CB-CB 3.83Å; A173-D231 WeakPolarHBondContact CB-O 3.32Å; R175-D231 WeakPolarHBondContact CD-OD1 3.48Å; R175-D231 IonicContact CZ-OD1 3.95Å; R175-D231 IonicContact NE-OD1 3.03Å; R175-D231 IonicContact NH1-OD1 3.93Å; R175-D231 PolarHBondContact NH1-OD1 3.21Å; T202-D231 HydrophobicContact CG2-CB 3.9Å; T227-D231 PolarHBondContact O-N 3.03Å; E228-D231 PolarHBondContact O-N 2.98Å; D231-S233 PolarHBondContact O-N 2.77Å; D231-C234 WeakPolarHBondContact O-CB 3.43Å; D231-C234 PolarHBondContact O-N 2.69Å; D231-Y357 PolarHBondContact OD2-OH 3.25Å
232	K	90.9	Very high	79.7	Confident	31 Å²	31	34 Å²	34	14%	0.135	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-39.7	176.9	-70	-179.8	178.7	171.3	0	112	H168 N171 T202 E228 C234 D235 I236	H168-K232 HydrophobicContact CB-CD 4.31Å; H168-K232 PolarHBondContact CE1-O 2.92Å; H168-K232 VanDerWaalsContact CE1-O 3.25Å; H168-K232 PolarHBondContact O-NZ 3.45Å; N171-K232 PolarHBondContact OD1-NZ 2.83Å; T202-K232 HydrophobicContact CG2-CG 4.09Å; T202-K232 WeakPolarHBondContact OG1-CE 3.35Å; E228-K232 HydrophobicContact CG-CD 4.17Å; E228-K232 PolarHBondContact O-N 3.29Å; E228-K232 IonicContact OE1-NZ 3.95Å; E228-K232 PolarHBondContact OE1-NZ 3.34Å; K232-C234 PolarHBondContact O-N 3.02Å; K232-D235 WeakPolarHBondContact O-CB 3.48Å; K232-D235 PolarHBondContact O-N 2.78Å; K232-D235 VanDerWaalsContact O-N 3.13Å; K232-I236 PolarHBondContact O-N 3.47Å
233	S	90	Very high	81.7	Confident	10 Å²	10	29.2 Å²	29.2	7%	0.07	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-23.7	-180	77.3	0	0	0	0	113.4	K229 Y230 D231 D235 I236 W237 P300 R303	K229-S233 WeakPolarHBondContact O-CB 3.45Å; K229-S233 PolarHBondContact O-N 2.88Å; K229-S233 PolarHBondContact O-OG 2.69Å; K229-S233 VanDerWaalsContact O-OG 3.14Å; Y230-S233 PolarHBondContact O-N 3.14Å; Y230-S233 PolarHBondContact O-OG 2.71Å; D231-S233 PolarHBondContact O-N 2.77Å; S233-D235 VanDerWaalsContact C-N 3.32Å; S233-I236 PolarHBondContact O-N 2.93Å; S233-W237 PolarHBondContact O-N 3.47Å; S233-P300 WeakPolarHBondContact OG-CB 3.34Å; S233-R303 PolarHBondContact O-NH1 2.9Å; S233-R303 PolarHBondContact OG-NH1 3.28Å; S233-R303 VanDerWaalsContact OG-NH1 3.07Å
234	C	89.6	Confident	83.5	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-37.6	175.3	-174.1	0	0	0	0	111.1	Y230 D231 K232 S238	Y230-C234 PolarHBondContact O-N 3.18Å; D231-C234 WeakPolarHBondContact O-CB 3.43Å; D231-C234 PolarHBondContact O-N 2.69Å; K232-C234 PolarHBondContact O-N 3.02Å; C234-S238 WeakPolarHBondContact O-CB 3.29Å; C234-S238 PolarHBondContact O-N 2.98Å; C234-S238 PolarHBondContact O-OG 3.3Å
235	D	93.8	Very high	85.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.8	-40.6	176	-67	-29.7	0	0	0	111	I164 H168 A173 H174 R175 I177 K232 S233 S238 L239	I164-D235 HydrophobicContact CD1-CB 4.5Å; I164-D235 HydrophobicContact CG2-CB 4.11Å; H168-D235 IonicContact CD2-OD2 3.27Å; H168-D235 IonicContact CE1-OD2 3.46Å; H168-D235 IonicContact NE2-OD2 3.56Å; H168-D235 PolarHBondContact NE2-OD2 2.97Å; A173-D235 WeakPolarHBondContact CA-OD2 3.5Å; H174-D235 PolarHBondContact N-OD1 2.8Å; H174-D235 PolarHBondContact N-OD2 3.03Å; R175-D235 WeakPolarHBondContact CA-OD1 3.39Å; R175-D235 PolarHBondContact N-OD1 3.49Å; I177-D235 HydrophobicContact CD1-CB 4.38Å; I177-D235 HydrophobicContact CG1-CB 3.94Å; I177-D235 WeakPolarHBondContact CG1-OD1 3.34Å; K232-D235 WeakPolarHBondContact O-CB 3.48Å; K232-D235 PolarHBondContact O-N 2.78Å; K232-D235 VanDerWaalsContact O-N 3.13Å; S233-D235 VanDerWaalsContact C-N 3.32Å; D235-S238 WeakPolarHBondContact O-CB 3.47Å; D235-S238 PolarHBondContact O-N 3.14Å; D235-L239 WeakPolarHBondContact O-CB 3.26Å; D235-L239 PolarHBondContact O-N 3.12Å
236	I	95.1	Very high	87	Confident	3 Å²	3	18 Å²	18	2%	0.015	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-43.3	178.1	-52.8	-54.5	0	0	0	111.4	I164 K232 S233 S238 L239 G240 L295 R303 L304 I306 V309	I164-I236 HydrophobicContact CG2-CD1 4.37Å; K232-I236 PolarHBondContact O-N 3.47Å; S233-I236 PolarHBondContact O-N 2.93Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 3.37Å; I236-L239 WeakPolarHBondContact O-CB 3.39Å; I236-L239 PolarHBondContact O-N 2.88Å; I236-G240 PolarHBondContact O-N 3.33Å; I236-L295 HydrophobicContact CG2-CB 4.49Å; I236-L295 HydrophobicContact CG2-CD2 3.37Å; I236-R303 HydrophobicContact CB-CG 4.37Å; I236-R303 HydrophobicContact CG2-CG 3.88Å; I236-L304 WeakPolarHBondContact CG2-O 3.49Å; I236-I306 HydrophobicContact CD1-CB 3.88Å; I236-I306 HydrophobicContact CD1-CD1 4.14Å; I236-V309 HydrophobicContact CG2-CG2 4.47Å
237	W	91.8	Very high	88.7	Confident	9 Å²	9	16.3 Å²	16.3	3%	0.034	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-45.9	174.7	-179.1	86.3	0	0	0	110.8	S233 L239 G240 V241 F253 I269 L296 A349 L350 M353	S233-W237 PolarHBondContact O-N 3.47Å; W237-L239 VanDerWaalsContact C-N 3.28Å; W237-L239 PolarHBondContact O-N 2.95Å; W237-G240 PolarHBondContact O-N 3.38Å; W237-G240 VanDerWaalsContact O-N 3.07Å; W237-V241 HydrophobicContact CD2-CG2 3.93Å; W237-V241 HydrophobicContact CE3-CG2 3.97Å; W237-V241 HydrophobicContact CH2-CG2 3.84Å; W237-V241 HydrophobicContact CZ2-CG2 3.77Å; W237-V241 HydrophobicContact CZ3-CG2 3.92Å; W237-V241 WeakPolarHBondContact O-CG2 3.42Å; W237-V241 PolarHBondContact O-N 3.2Å; W237-F253 AromaticContact CZ2-CE2 3.73Å; W237-F253 HydrophobicContact CZ2-CE2 3.73Å; W237-F253 HydrophobicContact CZ2-CZ 4.39Å; W237-I269 HydrophobicContact CZ2-CG2 4.09Å; W237-L296 HydrophobicContact CG-CD2 4.4Å; W237-A349 HydrophobicContact CH2-CB 3.73Å; W237-A349 HydrophobicContact CZ2-CB 4.47Å; W237-L350 HydrophobicContact CE3-CD2 3.57Å; W237-L350 HydrophobicContact CE3-CG 4.48Å; W237-L350 HydrophobicContact CZ3-CD2 3.42Å; W237-L350 VanDerWaalsContact CZ3-CD2 3.42Å; W237-L350 HydrophobicContact CZ3-CG 3.85Å; W237-M353 HydrophobicContact CD2-CE 3.34Å; W237-M353 HydrophobicContact CD2-SD 3.7Å; W237-M353 HydrophobicContact CE3-CE 3.08Å; W237-M353 HydrophobicContact CE3-SD 4.06Å; W237-M353 HydrophobicContact CG-CE 4.19Å; W237-M353 HydrophobicContact CG-SD 3.99Å; W237-M353 HydrophobicContact CH2-CE 3.39Å; W237-M353 HydrophobicContact CZ2-CE 3.63Å; W237-M353 HydrophobicContact CZ2-SD 4.28Å; W237-M353 HydrophobicContact CZ3-CE 3.11Å; W237-M353 HydrophobicContact CZ3-SD 4.49Å
238	S	92.5	Very high	89.8	Confident	3 Å²	3	15 Å²	15	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-56.8	-43.1	177.1	-53.9	0	0	0	0	111.8	C234 D235 I236 V241 V242 L350	C234-S238 WeakPolarHBondContact O-CB 3.29Å; C234-S238 PolarHBondContact O-N 2.98Å; C234-S238 PolarHBondContact O-OG 3.3Å; D235-S238 WeakPolarHBondContact O-CB 3.47Å; D235-S238 PolarHBondContact O-N 3.14Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 3.37Å; S238-V241 PolarHBondContact O-N 3.06Å; S238-V242 WeakPolarHBondContact O-CG2 3.25Å; S238-V242 PolarHBondContact O-N 3.45Å; S238-L350 WeakPolarHBondContact OG-CD2 3.48Å
239	L	95.9	Very high	90.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.3	-44.9	175.4	179	67.3	0	0	0	111.5	I157 I160 C161 I164 D235 I236 W237 V241 V242 M243 L295 V309	I157-L239 HydrophobicContact CD1-CD1 3.93Å; I157-L239 HydrophobicContact CG2-CD1 4.34Å; I160-L239 HydrophobicContact CB-CD1 4.14Å; I160-L239 HydrophobicContact CG2-CD1 3.7Å; C161-L239 VanDerWaalsContact SG-CD2 3.57Å; I164-L239 HydrophobicContact CD1-CB 4.2Å; I164-L239 HydrophobicContact CD1-CD1 4.42Å; I164-L239 HydrophobicContact CD1-CD2 4.33Å; D235-L239 WeakPolarHBondContact O-CB 3.26Å; D235-L239 PolarHBondContact O-N 3.12Å; I236-L239 WeakPolarHBondContact O-CB 3.39Å; I236-L239 PolarHBondContact O-N 2.88Å; W237-L239 VanDerWaalsContact C-N 3.28Å; W237-L239 PolarHBondContact O-N 2.95Å; L239-V241 VanDerWaalsContact C-N 3.34Å; L239-V241 PolarHBondContact O-N 3.42Å; L239-V242 PolarHBondContact O-N 3.27Å; L239-M243 VanDerWaalsContact O-CB 3.32Å; L239-M243 WeakPolarHBondContact O-CB 3.4Å; L239-M243 PolarHBondContact O-N 3.01Å; L239-L295 HydrophobicContact CD2-CD2 4.14Å; L239-L295 HydrophobicContact CG-CD1 4.41Å; L239-V309 HydrophobicContact CD2-CG1 3.88Å
240	G	95	Very high	91.2	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.2	-42.8	176	0	0	0	0	0	112.9	I236 W237 M243 Y244	I236-G240 PolarHBondContact O-N 3.33Å; W237-G240 PolarHBondContact O-N 3.38Å; W237-G240 VanDerWaalsContact O-N 3.07Å; G240-M243 PolarHBondContact O-N 3.43Å; G240-Y244 WeakPolarHBondContact O-CB 3.33Å; G240-Y244 PolarHBondContact O-N 3.09Å
241	V	91.5	Very high	91.5	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.006	2%	0.022	C	C	.	.	H	α-helix	trans	-69.4	-41.4	178.3	-170.1	0	0	0	0	111.3	W237 S238 L239 Y244 I245 P252 F253 L296 M346	W237-V241 HydrophobicContact CD2-CG2 3.93Å; W237-V241 HydrophobicContact CE3-CG2 3.97Å; W237-V241 HydrophobicContact CH2-CG2 3.84Å; W237-V241 HydrophobicContact CZ2-CG2 3.77Å; W237-V241 HydrophobicContact CZ3-CG2 3.92Å; W237-V241 WeakPolarHBondContact O-CG2 3.42Å; W237-V241 PolarHBondContact O-N 3.2Å; S238-V241 PolarHBondContact O-N 3.06Å; L239-V241 VanDerWaalsContact C-N 3.34Å; L239-V241 PolarHBondContact O-N 3.42Å; V241-Y244 PolarHBondContact O-N 3.24Å; V241-I245 HydrophobicContact CG1-CD1 3.96Å; V241-I245 WeakPolarHBondContact O-CD1 3.45Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 3.34Å; V241-I245 VanDerWaalsContact O-N 3.08Å; V241-P252 HydrophobicContact CG1-CG 3.99Å; V241-P252 HydrophobicContact CG2-CG 4.31Å; V241-F253 HydrophobicContact CG2-CE2 4.37Å; V241-L296 HydrophobicContact CG2-CD2 3.71Å; V241-M346 HydrophobicContact CB-CE 3.87Å; V241-M346 HydrophobicContact CG1-CE 3.14Å; V241-M346 HydrophobicContact CG1-SD 3.78Å
242	V	93.4	Very high	91.4	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.1	-48	174.5	169.1	0	0	0	0	110.4	L136 F137 I160 K178 L181 S238 L239 Y244 I245 L246	L136-V242 HydrophobicContact CD2-CG1 3.77Å; F137-V242 HydrophobicContact CZ-CG1 4.42Å; I160-V242 HydrophobicContact CD1-CG1 4.33Å; K178-V242 HydrophobicContact CB-CG2 4.44Å; K178-V242 HydrophobicContact CG-CG2 4.33Å; L181-V242 HydrophobicContact CD1-CG1 4.03Å; L181-V242 HydrophobicContact CD1-CG2 4.15Å; S238-V242 WeakPolarHBondContact O-CG2 3.25Å; S238-V242 PolarHBondContact O-N 3.45Å; L239-V242 PolarHBondContact O-N 3.27Å; V242-Y244 PolarHBondContact O-N 3.35Å; V242-I245 PolarHBondContact O-N 2.83Å; V242-L246 HydrophobicContact CG1-CD1 3.86Å; V242-L246 HydrophobicContact CG1-CG 4.25Å; V242-L246 VanDerWaalsContact O-CG 3.24Å; V242-L246 WeakPolarHBondContact O-CG 3.18Å; V242-L246 PolarHBondContact O-N 3.36Å
243	M	95.9	Very high	90.6	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-59.3	-45.3	178.1	-176.3	177.3	168.2	0	0	112.1	I157 L239 G240 I245 L246 L247 A288 L291 I292 L295 W314	I157-M243 HydrophobicContact CD1-CB 3.68Å; I157-M243 HydrophobicContact CD1-CG 4.1Å; I157-M243 HydrophobicContact CG1-CB 4.24Å; I157-M243 HydrophobicContact CG1-CG 4.09Å; L239-M243 VanDerWaalsContact O-CB 3.32Å; L239-M243 WeakPolarHBondContact O-CB 3.4Å; L239-M243 PolarHBondContact O-N 3.01Å; G240-M243 PolarHBondContact O-N 3.43Å; M243-I245 PolarHBondContact O-N 3.16Å; M243-L246 PolarHBondContact O-N 3.34Å; M243-L247 HydrophobicContact CE-CD1 4.15Å; M243-L247 HydrophobicContact CG-CD1 4.23Å; M243-L247 WeakPolarHBondContact O-CG 3.46Å; M243-L247 PolarHBondContact O-N 2.84Å; M243-L247 VanDerWaalsContact O-N 3.15Å; M243-A288 HydrophobicContact CE-CB 3.98Å; M243-A288 WeakPolarHBondContact CE-O 3.36Å; M243-L291 HydrophobicContact CE-CB 4.17Å; M243-L291 HydrophobicContact CE-CD2 3.81Å; M243-L291 HydrophobicContact CE-CG 4.17Å; M243-L291 HydrophobicContact SD-CD2 3.89Å; M243-L291 HydrophobicContact SD-CG 4.11Å; M243-I292 HydrophobicContact CB-CG1 4.49Å; M243-I292 HydrophobicContact CE-CD1 4.23Å; M243-I292 HydrophobicContact CE-CG1 3.9Å; M243-I292 HydrophobicContact CG-CD1 4.14Å; M243-I292 HydrophobicContact CG-CG1 4.02Å; M243-I292 HydrophobicContact SD-CD1 4.45Å; M243-I292 HydrophobicContact SD-CG1 3.81Å; M243-L295 HydrophobicContact SD-CD1 3.91Å; M243-W314 HydrophobicContact CE-CD2 4.15Å; M243-W314 HydrophobicContact CE-CE3 3.78Å; M243-W314 HydrophobicContact CE-CH2 3.71Å; M243-W314 HydrophobicContact CE-CZ2 4.1Å; M243-W314 HydrophobicContact CE-CZ3 3.55Å; M243-W314 HydrophobicContact SD-CZ3 4.15Å
244	Y	94.2	Very high	89.1	Confident	3 Å²	3	5 Å²	5	1%	0.012	2%	0.023	C	C	.	.	H	α-helix	trans	-57.5	-49.6	177.7	-174.1	-75.5	0	0	0	111.5	G240 V241 V242 L246 L247 C248 F250 P252 F274 A275 F276 W281 I292	G240-Y244 WeakPolarHBondContact O-CB 3.33Å; G240-Y244 PolarHBondContact O-N 3.09Å; V241-Y244 PolarHBondContact O-N 3.24Å; V242-Y244 PolarHBondContact O-N 3.35Å; Y244-L246 VanDerWaalsContact C-N 3.35Å; Y244-L246 PolarHBondContact O-N 3.08Å; Y244-L247 PolarHBondContact O-N 3.48Å; Y244-C248 WeakPolarHBondContact CE1-SG 3.42Å; Y244-C248 PolarHBondContact O-N 3.43Å; Y244-C248 PolarHBondContact O-SG 3.49Å; Y244-F250 WeakPolarHBondContact CD1-O 3.44Å; Y244-F250 AromaticContact CE1-CD2 3.76Å; Y244-F250 HydrophobicContact CE1-CD2 3.76Å; Y244-F250 AromaticContact CE1-CE2 3.8Å; Y244-F250 HydrophobicContact CE1-CE2 3.8Å; Y244-F250 WeakPolarHBondContact CE1-O 3.34Å; Y244-F250 AromaticContact CZ-CE2 3.95Å; Y244-F250 WeakPolarHBondContact OH-CE2 3.35Å; Y244-P252 HydrophobicContact CD1-CB 3.86Å; Y244-P252 HydrophobicContact CD1-CG 4.16Å; Y244-P252 HydrophobicContact CD2-CB 3.67Å; Y244-P252 HydrophobicContact CD2-CG 4.42Å; Y244-P252 HydrophobicContact CE1-CB 4Å; Y244-P252 HydrophobicContact CE2-CB 3.8Å; Y244-P252 HydrophobicContact CG-CB 3.72Å; Y244-P252 HydrophobicContact CG-CG 4.04Å; Y244-F274 HydrophobicContact CD2-CD2 4.44Å; Y244-F274 HydrophobicContact CE2-CD2 4.12Å; Y244-A275 WeakPolarHBondContact CE2-O 3.26Å; Y244-A275 PolarHBondContact OH-O 2.94Å; Y244-F276 HydrophobicContact CD2-CE1 4.21Å; Y244-F276 AromaticContact CE2-CD1 3.97Å; Y244-F276 HydrophobicContact CE2-CD1 3.97Å; Y244-F276 HydrophobicContact CE2-CE1 4.05Å; Y244-W281 AromaticContact CD1-CZ2 3.98Å; Y244-W281 HydrophobicContact CD1-CZ2 3.98Å; Y244-W281 AromaticContact CD2-CH2 3.8Å; Y244-W281 HydrophobicContact CD2-CH2 3.8Å; Y244-W281 AromaticContact CD2-CZ2 3.48Å; Y244-W281 HydrophobicContact CD2-CZ2 3.48Å; Y244-W281 VanDerWaalsContact CD2-CZ2 3.48Å; Y244-W281 AromaticContact CE1-CZ2 3.85Å; Y244-W281 HydrophobicContact CE1-CZ2 3.85Å; Y244-W281 AromaticContact CE2-CE2 3.93Å; Y244-W281 HydrophobicContact CE2-CH2 4.03Å; Y244-W281 AromaticContact CE2-CZ2 3.35Å; Y244-W281 HydrophobicContact CE2-CZ2 3.35Å; Y244-W281 HydrophobicContact CG-CH2 4.18Å; Y244-W281 AromaticContact CG-CZ2 3.8Å; Y244-W281 HydrophobicContact CG-CZ2 3.8Å; Y244-W281 AromaticContact CZ-CE2 3.87Å; Y244-W281 AromaticContact CZ-CZ2 3.53Å; Y244-W281 AromaticContact CZ-NE1 3.8Å; Y244-I292 HydrophobicContact CD2-CD1 4.36Å; Y244-I292 HydrophobicContact CD2-CG2 4.05Å
245	I	91.4	Very high	87.2	Confident	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.1	-38.9	-179.8	-61.7	161.8	0	0	0	111	F137 V241 V242 M243 L247 C248 G249 F250 P251 W339 M346	F137-I245 HydrophobicContact CD1-CG2 4.1Å; F137-I245 HydrophobicContact CE1-CB 3.88Å; F137-I245 HydrophobicContact CE1-CG2 3.39Å; F137-I245 HydrophobicContact CZ-CB 4.17Å; F137-I245 HydrophobicContact CZ-CD1 4.29Å; F137-I245 HydrophobicContact CZ-CG2 4.06Å; V241-I245 HydrophobicContact CG1-CD1 3.96Å; V241-I245 WeakPolarHBondContact O-CD1 3.45Å; V241-I245 WeakPolarHBondContact O-CG1 3.47Å; V241-I245 PolarHBondContact O-N 3.34Å; V241-I245 VanDerWaalsContact O-N 3.08Å; V242-I245 PolarHBondContact O-N 2.83Å; M243-I245 PolarHBondContact O-N 3.16Å; I245-L247 PolarHBondContact O-N 3.24Å; I245-C248 PolarHBondContact O-N 3.08Å; I245-G249 VanDerWaalsContact O-CA 3.24Å; I245-G249 WeakPolarHBondContact O-CA 3.44Å; I245-G249 PolarHBondContact O-N 2.94Å; I245-F250 WeakPolarHBondContact CG1-O 3.27Å; I245-P251 HydrophobicContact CD1-CB 4.49Å; I245-P251 HydrophobicContact CG1-CB 4.48Å; I245-W339 HydrophobicContact CD1-CH2 4.29Å; I245-W339 HydrophobicContact CG2-CH2 3.79Å; I245-W339 HydrophobicContact CG2-CZ3 3.82Å; I245-M346 HydrophobicContact CD1-CE 3.68Å; I245-M346 HydrophobicContact CD1-SD 3.39Å; I245-M346 WeakPolarHBondContact CD1-SD 3.46Å
246	L	93.7	Very high	84.7	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-32.6	178.1	-71.8	176	0	0	0	112.3	L136 F137 I140 F148 V153 I156 I157 V242 M243 Y244 T328	L136-L246 HydrophobicContact CD1-CD2 4.06Å; L136-L246 HydrophobicContact CD2-CD1 4.24Å; L136-L246 HydrophobicContact CD2-CD2 4.18Å; L136-L246 HydrophobicContact CG-CD2 4.18Å; F137-L246 HydrophobicContact CE1-CD2 4.09Å; F137-L246 HydrophobicContact CE1-CG 4.46Å; I140-L246 HydrophobicContact CD1-CD2 3.12Å; F148-L246 HydrophobicContact CE1-CD2 4.37Å; F148-L246 WeakPolarHBondContact CE1-O 3.2Å; F148-L246 HydrophobicContact CZ-CD2 4.2Å; V153-L246 HydrophobicContact CB-CB 4.47Å; V153-L246 HydrophobicContact CG1-CB 3.55Å; V153-L246 HydrophobicContact CG1-CD1 3.95Å; V153-L246 HydrophobicContact CG1-CG 4.4Å; V153-L246 HydrophobicContact CG2-CB 4.02Å; I156-L246 HydrophobicContact CG2-CD1 3.95Å; I157-L246 HydrophobicContact CD1-CD1 4.06Å; V242-L246 HydrophobicContact CG1-CD1 3.86Å; V242-L246 HydrophobicContact CG1-CG 4.25Å; V242-L246 VanDerWaalsContact O-CG 3.24Å; V242-L246 WeakPolarHBondContact O-CG 3.18Å; V242-L246 PolarHBondContact O-N 3.36Å; M243-L246 PolarHBondContact O-N 3.34Å; Y244-L246 VanDerWaalsContact C-N 3.35Å; Y244-L246 PolarHBondContact O-N 3.08Å; L246-T328 WeakPolarHBondContact O-CG2 3.41Å; L246-T328 PolarHBondContact O-OG1 2.74Å
247	L	95	Very high	82.5	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-80.6	-31.2	-178.2	-69.3	172.4	0	0	0	114.2	E150 V153 M243 Y244 I245 W281 V284 A288 I292 W314 L326 T328	E150-L247 HydrophobicContact CG-CD2 3.86Å; V153-L247 HydrophobicContact CB-CD2 4.08Å; V153-L247 HydrophobicContact CG1-CD2 3.96Å; V153-L247 HydrophobicContact CG1-CG 4.2Å; V153-L247 HydrophobicContact CG2-CD2 4.17Å; M243-L247 HydrophobicContact CE-CD1 4.15Å; M243-L247 HydrophobicContact CG-CD1 4.23Å; M243-L247 WeakPolarHBondContact O-CG 3.46Å; M243-L247 PolarHBondContact O-N 2.84Å; M243-L247 VanDerWaalsContact O-N 3.15Å; Y244-L247 PolarHBondContact O-N 3.48Å; I245-L247 PolarHBondContact O-N 3.24Å; L247-W281 HydrophobicContact CB-CH2 3.81Å; L247-W281 HydrophobicContact CB-CZ2 4.38Å; L247-W281 HydrophobicContact CB-CZ3 4.13Å; L247-W281 HydrophobicContact CD1-CH2 3.94Å; L247-W281 HydrophobicContact CD1-CZ3 3.87Å; L247-V284 HydrophobicContact CD1-CG1 4.04Å; L247-V284 HydrophobicContact CD2-CG1 4.41Å; L247-A288 HydrophobicContact CD1-CB 3.99Å; L247-I292 HydrophobicContact CD1-CD1 3.81Å; L247-W314 HydrophobicContact CD2-CZ2 4.38Å; L247-L326 HydrophobicContact CD2-CD1 4.12Å; L247-L326 HydrophobicContact CD2-CD2 4.33Å; L247-T328 PolarHBondContact O-OG1 2.73Å
248	C	91	Very high	80.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-125.2	-18.6	-174.2	65.8	0	0	0	0	115.4	Y244 I245 F250 E280 W281 C327 V331	Y244-C248 WeakPolarHBondContact CE1-SG 3.42Å; Y244-C248 PolarHBondContact O-N 3.43Å; Y244-C248 PolarHBondContact O-SG 3.49Å; I245-C248 PolarHBondContact O-N 3.08Å; C248-F250 HydrophobicContact CB-CD1 3.9Å; C248-F250 HydrophobicContact CB-CE1 3.56Å; C248-F250 HydrophobicContact CB-CZ 3.91Å; C248-F250 PolarHBondContact SG-O 3.38Å; C248-F250 VanDerWaalsContact SG-O 3.36Å; C248-E280 HydrophobicContact CB-CB 4.04Å; C248-W281 HydrophobicContact CB-CZ2 3.88Å; C248-C327 PolarHBondContact O-SG 3.49Å; C248-C327 VanDerWaalsContact O-SG 3.37Å; C248-V331 WeakPolarHBondContact O-CG2 3.49Å
249	G	87.9	Confident	77.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	96.4	-4.1	-178.7	0	0	0	0	0	115.3	I245 L332	I245-G249 VanDerWaalsContact O-CA 3.24Å; I245-G249 WeakPolarHBondContact O-CA 3.44Å; I245-G249 PolarHBondContact O-N 2.94Å; G249-L332 WeakPolarHBondContact O-CD2 3.42Å
250	F	84.2	Confident	75.6	Confident	17 Å²	17	24.3 Å²	24.3	8%	0.075	15%	0.146	C	C	.	.	S	Bend	trans	-136.3	156.7	-173.7	60.6	-102.4	0	0	0	113.8	Y244 I245 C248 Y254 P277 E280 W281 V331	Y244-F250 WeakPolarHBondContact CD1-O 3.44Å; Y244-F250 AromaticContact CE1-CD2 3.76Å; Y244-F250 HydrophobicContact CE1-CD2 3.76Å; Y244-F250 AromaticContact CE1-CE2 3.8Å; Y244-F250 HydrophobicContact CE1-CE2 3.8Å; Y244-F250 WeakPolarHBondContact CE1-O 3.34Å; Y244-F250 AromaticContact CZ-CE2 3.95Å; Y244-F250 WeakPolarHBondContact OH-CE2 3.35Å; I245-F250 WeakPolarHBondContact CG1-O 3.27Å; C248-F250 HydrophobicContact CB-CD1 3.9Å; C248-F250 HydrophobicContact CB-CE1 3.56Å; C248-F250 HydrophobicContact CB-CZ 3.91Å; C248-F250 PolarHBondContact SG-O 3.38Å; C248-F250 VanDerWaalsContact SG-O 3.36Å; F250-Y254 HydrophobicContact CB-CE2 3.56Å; F250-Y254 WeakPolarHBondContact CB-OH 3.38Å; F250-Y254 AromaticContact CD2-CD2 3.92Å; F250-Y254 HydrophobicContact CD2-CD2 3.92Å; F250-Y254 AromaticContact CD2-CE2 3.38Å; F250-Y254 HydrophobicContact CD2-CE2 3.38Å; F250-Y254 HydrophobicContact CE2-CE2 4.35Å; F250-Y254 AromaticContact CG-CE2 3.82Å; F250-Y254 HydrophobicContact CG-CE2 3.82Å; F250-P277 HydrophobicContact CE2-CG 3.85Å; F250-P277 HydrophobicContact CZ-CG 3.48Å; F250-P277 VanDerWaalsContact CZ-CG 3.48Å; F250-E280 HydrophobicContact CE1-CB 3.91Å; F250-E280 HydrophobicContact CE1-CG 3.82Å; F250-E280 HydrophobicContact CZ-CB 4.43Å; F250-W281 AromaticContact CZ-NE1 3.66Å; F250-V331 HydrophobicContact CB-CG1 4.25Å; F250-V331 HydrophobicContact CD1-CG1 4.11Å
251	P	84	Confident	73.5	Confident	8 Å²	8	28.6 Å²	28.6	5%	0.052	17%	0.168	C	C	.	.			trans	-70.6	152.2	-179.6	28.4	-37.6	0	0	0	113.7	I245 F253 Y254 V342	I245-P251 HydrophobicContact CD1-CB 4.49Å; I245-P251 HydrophobicContact CG1-CB 4.48Å; P251-F253 PolarHBondContact O-N 3.21Å; P251-F253 VanDerWaalsContact O-N 3.16Å; P251-Y254 HydrophobicContact CG-CD2 4.43Å; P251-Y254 HydrophobicContact CG-CE2 3.71Å; P251-Y254 WeakPolarHBondContact O-CD2 3.41Å; P251-Y254 WeakPolarHBondContact O-CE2 3.46Å; P251-V342 HydrophobicContact CB-CG1 4.14Å; P251-V342 HydrophobicContact CG-CG1 3.73Å; P251-V342 HydrophobicContact CG-CG2 4.12Å
252	P	83	Confident	71.4	Confident	6 Å²	6	30.1 Å²	30.1	4%	0.039	18%	0.179	C	C	.	.	S	Bend	trans	-65.2	-20.5	-178.7	20.4	-28.2	0	0	0	114.7	V241 Y244 F274 L296	V241-P252 HydrophobicContact CG1-CG 3.99Å; V241-P252 HydrophobicContact CG2-CG 4.31Å; Y244-P252 HydrophobicContact CD1-CB 3.86Å; Y244-P252 HydrophobicContact CD1-CG 4.16Å; Y244-P252 HydrophobicContact CD2-CB 3.67Å; Y244-P252 HydrophobicContact CD2-CG 4.42Å; Y244-P252 HydrophobicContact CE1-CB 4Å; Y244-P252 HydrophobicContact CE2-CB 3.8Å; Y244-P252 HydrophobicContact CG-CB 3.72Å; Y244-P252 HydrophobicContact CG-CG 4.04Å; P252-F274 HydrophobicContact CB-CB 3.82Å; P252-F274 HydrophobicContact CB-CD2 4.42Å; P252-F274 HydrophobicContact CB-CG 4.22Å; P252-F274 WeakPolarHBondContact O-CB 3.26Å; P252-L296 HydrophobicContact CB-CD1 3.95Å; P252-L296 HydrophobicContact CG-CD1 3.91Å
253	F	73.1	Confident	69.4	Low	9 Å²	9	36.3 Å²	36.3	4%	0.039	22%	0.219	C	C	.	.			trans	-109.3	98.3	-176.8	-47.6	-68.4	0	0	0	107.3	W237 V241 P251 M265 R268 I269 F274	W237-F253 AromaticContact CZ2-CE2 3.73Å; W237-F253 HydrophobicContact CZ2-CE2 3.73Å; W237-F253 HydrophobicContact CZ2-CZ 4.39Å; V241-F253 HydrophobicContact CG2-CE2 4.37Å; P251-F253 PolarHBondContact O-N 3.21Å; P251-F253 VanDerWaalsContact O-N 3.16Å; F253-M265 HydrophobicContact CB-SD 3.32Å; F253-M265 WeakPolarHBondContact CB-SD 3.24Å; F253-M265 WeakPolarHBondContact O-CE 3.48Å; F253-R268 HydrophobicContact CD1-CB 4.4Å; F253-I269 HydrophobicContact CB-CG1 4.18Å; F253-I269 HydrophobicContact CD1-CG1 4.03Å; F253-I269 HydrophobicContact CD2-CD1 4.19Å; F253-I269 HydrophobicContact CD2-CG1 3.44Å; F253-I269 VanDerWaalsContact CD2-CG1 3.44Å; F253-I269 HydrophobicContact CE1-CG1 4.3Å; F253-I269 HydrophobicContact CE2-CG1 3.76Å; F253-I269 HydrophobicContact CG-CG1 3.6Å; F253-I269 HydrophobicContact CZ-CG1 4.18Å; F253-F274 HydrophobicContact CD1-CB 4.35Å; F253-F274 HydrophobicContact CE1-CB 4.25Å; F253-F274 HydrophobicContact CE1-CD1 4.44Å
254	Y	59.7	Low	67.4	Low	43 Å²	43	37.7 Å²	37.7	17%	0.169	23%	0.233	C	C	.	.			trans	-93.5	166.8	167.2	-91.5	-100.5	0	0	0	110.1	F250 P251 R268 E335	F250-Y254 HydrophobicContact CB-CE2 3.56Å; F250-Y254 WeakPolarHBondContact CB-OH 3.38Å; F250-Y254 AromaticContact CD2-CD2 3.92Å; F250-Y254 HydrophobicContact CD2-CD2 3.92Å; F250-Y254 AromaticContact CD2-CE2 3.38Å; F250-Y254 HydrophobicContact CD2-CE2 3.38Å; F250-Y254 HydrophobicContact CE2-CE2 4.35Å; F250-Y254 AromaticContact CG-CE2 3.82Å; F250-Y254 HydrophobicContact CG-CE2 3.82Å; P251-Y254 HydrophobicContact CG-CD2 4.43Å; P251-Y254 HydrophobicContact CG-CE2 3.71Å; P251-Y254 WeakPolarHBondContact O-CD2 3.41Å; P251-Y254 WeakPolarHBondContact O-CE2 3.46Å; Y254-R268 WeakPolarHBondContact O-CD 3.04Å; Y254-R268 PolarHBondContact O-NE 3.29Å; Y254-R268 PolarHBondContact O-NH1 3.16Å; Y254-E335 PolarHBondContact OH-OE1 3.11Å; Y254-E335 PolarHBondContact OH-OE2 2.92Å
255	S	48.8	Very low	65.7	Low	6 Å²	6	38.3 Å²	38.3	4%	0.042	24%	0.236	C	C	.	.			trans	-78	157.7	160.5	80.3	0	0	0	0	111.1	H257 G258 L259 S262 R268	S255-H257 PolarHBondContact O-N 3.03Å; S255-H257 VanDerWaalsContact O-N 3.08Å; S255-H257 PolarHBondContact OG-N 3.36Å; S255-G258 PolarHBondContact O-N 3.43Å; S255-L259 WeakPolarHBondContact CB-O 3.42Å; S255-L259 PolarHBondContact N-O 3.31Å; S255-L259 PolarHBondContact OG-N 3.04Å; S255-L259 VanDerWaalsContact OG-N 3.15Å; S255-L259 PolarHBondContact OG-O 3.39Å; S255-S262 WeakPolarHBondContact CB-OG 3.42Å; S255-R268 VanDerWaalsContact C-NH1 3.35Å
256	A	42.1	Very low	64.1	Low	73 Å²	73	43.8 Å²	43.8	60%	0.603	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.2	174.3	0	0	0	0	0	113.7	R268	A256-R268 VanDerWaalsContact CA-NH2 3.35Å; A256-R268 VanDerWaalsContact CB-NH2 3.29Å
257	H	47.7	Very low	62.4	Low	163 Å²	163	47.4 Å²	47.4	76%	0.755	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	16.8	-171.2	-63.8	-58.3	0	0	0	112.9	S255 L259	S255-H257 PolarHBondContact O-N 3.03Å; S255-H257 VanDerWaalsContact O-N 3.08Å; S255-H257 PolarHBondContact OG-N 3.36Å; H257-L259 PolarHBondContact O-N 3.14Å
258	G	45.8	Very low	60.7	Low	58 Å²	58	50.8 Å²	50.8	60%	0.598	30%	0.298	S	S	*	.	S	Bend	trans	67.5	-0.7	-178.6	0	0	0	0	0	114.2	S255 A260	S255-G258 PolarHBondContact O-N 3.43Å; G258-A260 PolarHBondContact O-N 3.02Å
259	L	43.5	Very low	59.3	Low	112 Å²	112	51.9 Å²	51.9	59%	0.586	30%	0.304	S	S	*	.			trans	-75	123.7	170.3	-64.1	169.1	0	0	0	107.7	S255 H257 I261	S255-L259 WeakPolarHBondContact CB-O 3.42Å; S255-L259 PolarHBondContact N-O 3.31Å; S255-L259 PolarHBondContact OG-N 3.04Å; S255-L259 VanDerWaalsContact OG-N 3.15Å; S255-L259 PolarHBondContact OG-O 3.39Å; H257-L259 PolarHBondContact O-N 3.14Å; L259-I261 PolarHBondContact O-N 3.42Å
260	A	47.1	Very low	58	Low	11 Å²	11	61.2 Å²	61.2	9%	0.091	34%	0.339	C	S	.	.	S	Bend	trans	-56.9	-15.3	174.1	0	0	0	0	0	112.6	G258 M265	G258-A260 PolarHBondContact O-N 3.02Å; A260-M265 VanDerWaalsContact O-CE 3.24Å; A260-M265 WeakPolarHBondContact O-CE 3.31Å
261	I	50.2	Low	56.9	Low	91 Å²	91	63 Å²	63	47%	0.467	35%	0.353	S	S	.	.			trans	-131.4	105.1	-168.4	-47.5	173.2	0	0	0	108.2	L259 D341	L259-I261 PolarHBondContact O-N 3.42Å; I261-D341 HydrophobicContact CD1-CB 3.74Å; I261-D341 WeakPolarHBondContact CD1-OD2 3.46Å; I261-D341 HydrophobicContact CG1-CB 4.28Å
262	S	48	Very low	55.9	Low	32 Å²	32	63.6 Å²	63.6	22%	0.224	36%	0.362	C	S	.	.			trans	-140.9	151.5	166.6	77.8	0	0	0	0	111	S255 G264 M265	S255-S262 WeakPolarHBondContact CB-OG 3.42Å; S262-G264 PolarHBondContact O-N 3.43Å; S262-G264 PolarHBondContact OG-N 3.18Å; S262-M265 WeakPolarHBondContact O-CB 3.15Å; S262-M265 PolarHBondContact O-N 3.32Å
263	P	51.7	Low	55.4	Low	131 Å²	131	69.5 Å²	69.5	85%	0.851	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-23.8	169.2	-24.9	33.3	0	0	0	113.4	M265	P263-M265 PolarHBondContact O-N 2.9Å
264	G	53.4	Low	55.9	Low	29 Å²	29	71.2 Å²	71.2	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-67.3	-17.9	175.7	0	0	0	0	0	114.6	S262 K266 S267 R268	S262-G264 PolarHBondContact O-N 3.43Å; S262-G264 PolarHBondContact OG-N 3.18Å; G264-K266 PolarHBondContact O-N 3.38Å; G264-S267 CarbonylContact O-C 3.55Å; G264-S267 WeakPolarHBondContact O-CA 3.31Å; G264-S267 WeakPolarHBondContact O-CB 3.38Å; G264-S267 PolarHBondContact O-N 3Å; G264-S267 VanDerWaalsContact O-N 3.1Å; G264-R268 WeakPolarHBondContact O-CG 3.33Å; G264-R268 PolarHBondContact O-N 3.32Å
265	M	58.1	Low	57.2	Low	15 Å²	15	72.1 Å²	72.1	7%	0.074	41%	0.412	C	S	.	.	H	α-helix	trans	-53.9	-52.1	177.2	-176.9	72.4	89.5	0	0	111.4	F253 A260 S262 P263 S267 R268 I269	F253-M265 HydrophobicContact CB-SD 3.32Å; F253-M265 WeakPolarHBondContact CB-SD 3.24Å; F253-M265 WeakPolarHBondContact O-CE 3.48Å; A260-M265 VanDerWaalsContact O-CE 3.24Å; A260-M265 WeakPolarHBondContact O-CE 3.31Å; S262-M265 WeakPolarHBondContact O-CB 3.15Å; S262-M265 PolarHBondContact O-N 3.32Å; P263-M265 PolarHBondContact O-N 2.9Å; M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 3.14Å; M265-R268 PolarHBondContact O-N 3.39Å; M265-R268 VanDerWaalsContact O-N 3.12Å; M265-I269 HydrophobicContact CG-CD1 4Å; M265-I269 WeakPolarHBondContact O-CG1 3.11Å; M265-I269 PolarHBondContact O-N 3.22Å
266	K	59	Low	59.3	Low	115 Å²	115	74 Å²	74	50%	0.5	42%	0.42	S	S	.	.	H	α-helix	trans	-61	-38.5	177.8	-65.8	-177.6	-177	177.7	0	111.7	G264 R270	G264-K266 PolarHBondContact O-N 3.38Å; K266-R270 WeakPolarHBondContact O-CB 3.42Å; K266-R270 VanDerWaalsContact O-CG 3.26Å; K266-R270 WeakPolarHBondContact O-CG 3.27Å; K266-R270 PolarHBondContact O-N 2.94Å
267	S	57.4	Low	61.6	Low	76 Å²	76	73 Å²	73	53%	0.531	41%	0.407	S	S	.	.	H	α-helix	trans	-66.1	-40	176.2	-168.3	0	0	0	0	111.7	G264 M265 R270 S271	G264-S267 CarbonylContact O-C 3.55Å; G264-S267 WeakPolarHBondContact O-CA 3.31Å; G264-S267 WeakPolarHBondContact O-CB 3.38Å; G264-S267 PolarHBondContact O-N 3Å; G264-S267 VanDerWaalsContact O-N 3.1Å; M265-S267 VanDerWaalsContact C-N 3.27Å; M265-S267 PolarHBondContact O-N 3.14Å; S267-R270 CarbonylContact O-C 3.57Å; S267-R270 PolarHBondContact O-N 3.16Å; S267-S271 VanDerWaalsContact O-CB 3.29Å; S267-S271 WeakPolarHBondContact O-CB 3.16Å; S267-S271 PolarHBondContact O-N 3.33Å; S267-S271 PolarHBondContact O-OG 2.77Å
268	R	59.4	Low	63.6	Low	71 Å²	71	69.2 Å²	69.2	27%	0.268	40%	0.399	S	S	.	.	H	α-helix	trans	-70.1	-40.2	179.1	-76	-178.4	175.7	-158.2	-9	112.9	F253 Y254 S255 A256 G264 M265 R270 S271 G272 Q273	F253-R268 HydrophobicContact CD1-CB 4.4Å; Y254-R268 WeakPolarHBondContact O-CD 3.04Å; Y254-R268 PolarHBondContact O-NE 3.29Å; Y254-R268 PolarHBondContact O-NH1 3.16Å; S255-R268 VanDerWaalsContact C-NH1 3.35Å; A256-R268 VanDerWaalsContact CA-NH2 3.35Å; A256-R268 VanDerWaalsContact CB-NH2 3.29Å; G264-R268 WeakPolarHBondContact O-CG 3.33Å; G264-R268 PolarHBondContact O-N 3.32Å; M265-R268 PolarHBondContact O-N 3.39Å; M265-R268 VanDerWaalsContact O-N 3.12Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R268-S271 WeakPolarHBondContact CA-OG 3.41Å; R268-S271 CarbonylContact O-C 3.51Å; R268-S271 PolarHBondContact O-N 3.05Å; R268-S271 PolarHBondContact O-OG 2.86Å; R268-G272 PolarHBondContact O-N 2.75Å; R268-Q273 PolarHBondContact O-N 2.81Å; R268-Q273 VanDerWaalsContact O-N 3.16Å
269	I	61.8	Low	65.7	Low	24 Å²	24	70.7 Å²	70.7	12%	0.123	40%	0.398	C	S	.	.	H	α-helix	trans	-58.6	-47.6	170.7	-67.2	163.8	0	0	0	109.4	W237 F253 M265 S271 G272 A349	W237-I269 HydrophobicContact CZ2-CG2 4.09Å; F253-I269 HydrophobicContact CB-CG1 4.18Å; F253-I269 HydrophobicContact CD1-CG1 4.03Å; F253-I269 HydrophobicContact CD2-CD1 4.19Å; F253-I269 HydrophobicContact CD2-CG1 3.44Å; F253-I269 VanDerWaalsContact CD2-CG1 3.44Å; F253-I269 HydrophobicContact CE1-CG1 4.3Å; F253-I269 HydrophobicContact CE2-CG1 3.76Å; F253-I269 HydrophobicContact CG-CG1 3.6Å; F253-I269 HydrophobicContact CZ-CG1 4.18Å; M265-I269 HydrophobicContact CG-CD1 4Å; M265-I269 WeakPolarHBondContact O-CG1 3.11Å; M265-I269 PolarHBondContact O-N 3.22Å; I269-S271 VanDerWaalsContact C-N 3.35Å; I269-S271 PolarHBondContact O-N 3.37Å; I269-G272 PolarHBondContact O-N 3.03Å; I269-A349 HydrophobicContact CD1-CB 3.75Å
270	R	59.9	Low	68	Low	196 Å²	196	68.1 Å²	68.1	74%	0.74	38%	0.383	S	S	*	.	H	α-helix	trans	-66.7	-33.7	177.9	-74.6	178.7	-176.7	-174.1	0.7	113.3	K266 S267 R268 T298	K266-R270 WeakPolarHBondContact O-CB 3.42Å; K266-R270 VanDerWaalsContact O-CG 3.26Å; K266-R270 WeakPolarHBondContact O-CG 3.27Å; K266-R270 PolarHBondContact O-N 2.94Å; S267-R270 CarbonylContact O-C 3.57Å; S267-R270 PolarHBondContact O-N 3.16Å; R268-R270 VanDerWaalsContact C-N 3.31Å; R270-T298 WeakPolarHBondContact O-CG2 3.49Å
271	S	61.7	Low	70.2	Confident	53 Å²	53	67.6 Å²	67.6	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-86.8	-7.9	179.1	71.7	0	0	0	0	113.5	S267 R268 I269 Q273	S267-S271 VanDerWaalsContact O-CB 3.29Å; S267-S271 WeakPolarHBondContact O-CB 3.16Å; S267-S271 PolarHBondContact O-N 3.33Å; S267-S271 PolarHBondContact O-OG 2.77Å; R268-S271 WeakPolarHBondContact CA-OG 3.41Å; R268-S271 CarbonylContact O-C 3.51Å; R268-S271 PolarHBondContact O-N 3.05Å; R268-S271 PolarHBondContact O-OG 2.86Å; I269-S271 VanDerWaalsContact C-N 3.35Å; I269-S271 PolarHBondContact O-N 3.37Å; S271-Q273 PolarHBondContact O-N 3Å; S271-Q273 WeakPolarHBondContact OG-CG 3.29Å
272	G	62.7	Low	72.3	Confident	22 Å²	22	67.7 Å²	67.7	23%	0.227	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	19.1	179.9	0	0	0	0	0	114	R268 I269 F274	R268-G272 PolarHBondContact O-N 2.75Å; I269-G272 PolarHBondContact O-N 3.03Å; G272-F274 PolarHBondContact O-N 2.92Å
273	Q	71.8	Confident	74.5	Confident	130 Å²	130	72.1 Å²	72.1	61%	0.607	40%	0.401	S	S	*	.			trans	-88.8	100.5	-175.4	-71.5	177.3	6.2	0	0	108.7	R268 S271	R268-Q273 PolarHBondContact O-N 2.81Å; R268-Q273 VanDerWaalsContact O-N 3.16Å; S271-Q273 PolarHBondContact O-N 3Å; S271-Q273 WeakPolarHBondContact OG-CG 3.29Å
274	F	83.7	Confident	76.6	Confident	44 Å²	44	66.1 Å²	66.1	19%	0.193	36%	0.363	C	S	.	.			trans	-130.1	161.2	165.7	68.2	-84.1	0	0	0	108.9	Y244 P252 F253 G272 F276 I292 K293 L296	Y244-F274 HydrophobicContact CD2-CD2 4.44Å; Y244-F274 HydrophobicContact CE2-CD2 4.12Å; P252-F274 HydrophobicContact CB-CB 3.82Å; P252-F274 HydrophobicContact CB-CD2 4.42Å; P252-F274 HydrophobicContact CB-CG 4.22Å; P252-F274 WeakPolarHBondContact O-CB 3.26Å; F253-F274 HydrophobicContact CD1-CB 4.35Å; F253-F274 HydrophobicContact CE1-CB 4.25Å; F253-F274 HydrophobicContact CE1-CD1 4.44Å; G272-F274 PolarHBondContact O-N 2.92Å; F274-F276 HydrophobicContact CD2-CE1 4.48Å; F274-F276 HydrophobicContact CD2-CZ 4.39Å; F274-F276 HydrophobicContact CE2-CE1 4.02Å; F274-F276 HydrophobicContact CE2-CE2 4.13Å; F274-F276 AromaticContact CE2-CZ 3.61Å; F274-F276 HydrophobicContact CE2-CZ 3.61Å; F274-I292 HydrophobicContact CE2-CG2 3.7Å; F274-I292 HydrophobicContact CZ-CG2 4.04Å; F274-K293 HydrophobicContact CZ-CG 4.25Å; F274-L296 HydrophobicContact CD1-CB 4.27Å; F274-L296 HydrophobicContact CD1-CD1 4.29Å; F274-L296 HydrophobicContact CD2-CD1 4.38Å; F274-L296 HydrophobicContact CE1-CB 3.58Å; F274-L296 HydrophobicContact CE1-CD1 4.12Å; F274-L296 HydrophobicContact CE1-CG 4.5Å; F274-L296 HydrophobicContact CE2-CD1 4.21Å; F274-L296 HydrophobicContact CG-CD1 4.41Å; F274-L296 HydrophobicContact CZ-CB 3.88Å; F274-L296 HydrophobicContact CZ-CD1 4.07Å
275	A	88.2	Confident	78.6	Confident	62 Å²	62	66.2 Å²	66.2	51%	0.512	36%	0.357	S	S	.	.			trans	-133.2	172.8	-179.7	0	0	0	0	0	109.6	Y244 P277	Y244-A275 WeakPolarHBondContact CE2-O 3.26Å; Y244-A275 PolarHBondContact OH-O 2.94Å; A275-P277 WeakPolarHBondContact O-CD 3.29Å
276	F	92.7	Very high	80.5	Confident	47 Å²	47	71.4 Å²	71.4	21%	0.206	38%	0.384	C	S	.	.			trans	-116.5	80.4	172.5	-58.3	-68.8	0	0	0	107.2	Y244 F274 W281 K289 I292 K293	Y244-F276 HydrophobicContact CD2-CE1 4.21Å; Y244-F276 AromaticContact CE2-CD1 3.97Å; Y244-F276 HydrophobicContact CE2-CD1 3.97Å; Y244-F276 HydrophobicContact CE2-CE1 4.05Å; F274-F276 HydrophobicContact CD2-CE1 4.48Å; F274-F276 HydrophobicContact CD2-CZ 4.39Å; F274-F276 HydrophobicContact CE2-CE1 4.02Å; F274-F276 HydrophobicContact CE2-CE2 4.13Å; F274-F276 AromaticContact CE2-CZ 3.61Å; F274-F276 HydrophobicContact CE2-CZ 3.61Å; F276-W281 HydrophobicContact CB-CB 3.75Å; F276-W281 HydrophobicContact CB-CD2 3.82Å; F276-W281 HydrophobicContact CB-CE3 4.18Å; F276-W281 HydrophobicContact CB-CG 3.62Å; F276-W281 AromaticContact CD1-CD2 3.49Å; F276-W281 HydrophobicContact CD1-CD2 3.49Å; F276-W281 VanDerWaalsContact CD1-CD2 3.49Å; F276-W281 AromaticContact CD1-CE2 3.72Å; F276-W281 AromaticContact CD1-CE3 3.36Å; F276-W281 HydrophobicContact CD1-CE3 3.36Å; F276-W281 HydrophobicContact CD1-CG 4.22Å; F276-W281 AromaticContact CD1-CH2 3.77Å; F276-W281 HydrophobicContact CD1-CH2 3.77Å; F276-W281 AromaticContact CD1-CZ2 3.87Å; F276-W281 HydrophobicContact CD1-CZ2 3.87Å; F276-W281 AromaticContact CD1-CZ3 3.5Å; F276-W281 HydrophobicContact CD1-CZ3 3.5Å; F276-W281 VanDerWaalsContact CD1-CZ3 3.5Å; F276-W281 HydrophobicContact CE1-CD2 4.46Å; F276-W281 HydrophobicContact CE1-CE3 4.02Å; F276-W281 AromaticContact CE1-CH2 3.84Å; F276-W281 HydrophobicContact CE1-CH2 3.84Å; F276-W281 HydrophobicContact CE1-CZ2 4.29Å; F276-W281 AromaticContact CE1-CZ3 3.68Å; F276-W281 HydrophobicContact CE1-CZ3 3.68Å; F276-W281 HydrophobicContact CG-CD2 4.1Å; F276-W281 HydrophobicContact CG-CE3 4.09Å; F276-W281 HydrophobicContact CG-CG 4.41Å; F276-K289 HydrophobicContact CD1-CG 4.14Å; F276-K289 HydrophobicContact CD2-CB 4.3Å; F276-K289 HydrophobicContact CD2-CD 4.38Å; F276-K289 HydrophobicContact CD2-CG 4.22Å; F276-K289 HydrophobicContact CE1-CB 4.26Å; F276-K289 HydrophobicContact CE1-CG 4.12Å; F276-K289 HydrophobicContact CE2-CB 3.88Å; F276-K289 HydrophobicContact CE2-CG 4.24Å; F276-K289 HydrophobicContact CG-CD 4.37Å; F276-K289 HydrophobicContact CG-CG 4.16Å; F276-K289 HydrophobicContact CZ-CB 3.82Å; F276-K289 HydrophobicContact CZ-CG 4.16Å; F276-K289 WeakPolarHBondContact CZ-O 3.47Å; F276-I292 HydrophobicContact CE1-CB 4.26Å; F276-I292 HydrophobicContact CE1-CD1 4.23Å; F276-I292 HydrophobicContact CE1-CG2 3.95Å; F276-I292 HydrophobicContact CZ-CB 4.19Å; F276-I292 HydrophobicContact CZ-CG2 4.02Å; F276-K293 HydrophobicContact CE2-CG 4.19Å; F276-K293 HydrophobicContact CZ-CG 4.29Å
277	P	90	Very high	82.2	Confident	51 Å²	51	69.9 Å²	69.9	33%	0.331	38%	0.381	S	S	.	.			trans	-70.2	147.7	-171	31.2	-37.8	0	0	0	111.6	F250 A275 W281	F250-P277 HydrophobicContact CE2-CG 3.85Å; F250-P277 HydrophobicContact CZ-CG 3.48Å; F250-P277 VanDerWaalsContact CZ-CG 3.48Å; A275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-W281 VanDerWaalsContact CD-CD1 3.48Å; P277-W281 WeakPolarHBondContact O-CB 3.26Å; P277-W281 VanDerWaalsContact O-CD1 3.28Å; P277-W281 PolarHBondContact O-N 2.98Å
278	S	88.8	Confident	84.1	Confident	83 Å²	83	66.3 Å²	66.3	58%	0.58	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	147.9	168.4	-56.8	0	0	0	0	110	D282	S278-D282 VanDerWaalsContact CB-OD1 3.28Å; S278-D282 WeakPolarHBondContact CB-OD1 3.45Å; S278-D282 PolarHBondContact OG-OD1 3.06Å
279	P	91.6	Very high	85.9	Confident	89 Å²	89	64.8 Å²	64.8	58%	0.578	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.6	-12.1	4.6	34.9	-36.6	0	0	0	115.1	W281 D282	P279-W281 PolarHBondContact O-N 3.18Å; P279-D282 PolarHBondContact O-N 3.38Å; P279-D282 VanDerWaalsContact O-N 3.12Å
280	E	90.7	Very high	87.6	Confident	58 Å²	58	67.9 Å²	67.9	27%	0.271	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.3	-166.4	-65.6	81.4	-165.3	0	0	114	C248 F250 C327 V331	C248-E280 HydrophobicContact CB-CB 4.04Å; F250-E280 HydrophobicContact CE1-CB 3.91Å; F250-E280 HydrophobicContact CE1-CG 3.82Å; F250-E280 HydrophobicContact CZ-CB 4.43Å; E280-C327 WeakPolarHBondContact CB-SG 3.32Å; E280-C327 HydrophobicContact CG-CB 4.25Å; E280-C327 WeakPolarHBondContact CG-SG 3.46Å; E280-V331 HydrophobicContact CG-CG2 4.48Å
281	W	94.5	Very high	89.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-3.5	-178.3	-72.5	87.5	0	0	0	114.3	Y244 L247 C248 F250 F276 P277 P279 D283 V284 K289 I292	Y244-W281 AromaticContact CD1-CZ2 3.98Å; Y244-W281 HydrophobicContact CD1-CZ2 3.98Å; Y244-W281 AromaticContact CD2-CH2 3.8Å; Y244-W281 HydrophobicContact CD2-CH2 3.8Å; Y244-W281 AromaticContact CD2-CZ2 3.48Å; Y244-W281 HydrophobicContact CD2-CZ2 3.48Å; Y244-W281 VanDerWaalsContact CD2-CZ2 3.48Å; Y244-W281 AromaticContact CE1-CZ2 3.85Å; Y244-W281 HydrophobicContact CE1-CZ2 3.85Å; Y244-W281 AromaticContact CE2-CE2 3.93Å; Y244-W281 HydrophobicContact CE2-CH2 4.03Å; Y244-W281 AromaticContact CE2-CZ2 3.35Å; Y244-W281 HydrophobicContact CE2-CZ2 3.35Å; Y244-W281 HydrophobicContact CG-CH2 4.18Å; Y244-W281 AromaticContact CG-CZ2 3.8Å; Y244-W281 HydrophobicContact CG-CZ2 3.8Å; Y244-W281 AromaticContact CZ-CE2 3.87Å; Y244-W281 AromaticContact CZ-CZ2 3.53Å; Y244-W281 AromaticContact CZ-NE1 3.8Å; L247-W281 HydrophobicContact CB-CH2 3.81Å; L247-W281 HydrophobicContact CB-CZ2 4.38Å; L247-W281 HydrophobicContact CB-CZ3 4.13Å; L247-W281 HydrophobicContact CD1-CH2 3.94Å; L247-W281 HydrophobicContact CD1-CZ3 3.87Å; C248-W281 HydrophobicContact CB-CZ2 3.88Å; F250-W281 AromaticContact CZ-NE1 3.66Å; F276-W281 HydrophobicContact CB-CB 3.75Å; F276-W281 HydrophobicContact CB-CD2 3.82Å; F276-W281 HydrophobicContact CB-CE3 4.18Å; F276-W281 HydrophobicContact CB-CG 3.62Å; F276-W281 AromaticContact CD1-CD2 3.49Å; F276-W281 HydrophobicContact CD1-CD2 3.49Å; F276-W281 VanDerWaalsContact CD1-CD2 3.49Å; F276-W281 AromaticContact CD1-CE2 3.72Å; F276-W281 AromaticContact CD1-CE3 3.36Å; F276-W281 HydrophobicContact CD1-CE3 3.36Å; F276-W281 HydrophobicContact CD1-CG 4.22Å; F276-W281 AromaticContact CD1-CH2 3.77Å; F276-W281 HydrophobicContact CD1-CH2 3.77Å; F276-W281 AromaticContact CD1-CZ2 3.87Å; F276-W281 HydrophobicContact CD1-CZ2 3.87Å; F276-W281 AromaticContact CD1-CZ3 3.5Å; F276-W281 HydrophobicContact CD1-CZ3 3.5Å; F276-W281 VanDerWaalsContact CD1-CZ3 3.5Å; F276-W281 HydrophobicContact CE1-CD2 4.46Å; F276-W281 HydrophobicContact CE1-CE3 4.02Å; F276-W281 AromaticContact CE1-CH2 3.84Å; F276-W281 HydrophobicContact CE1-CH2 3.84Å; F276-W281 HydrophobicContact CE1-CZ2 4.29Å; F276-W281 AromaticContact CE1-CZ3 3.68Å; F276-W281 HydrophobicContact CE1-CZ3 3.68Å; F276-W281 HydrophobicContact CG-CD2 4.1Å; F276-W281 HydrophobicContact CG-CE3 4.09Å; F276-W281 HydrophobicContact CG-CG 4.41Å; P277-W281 VanDerWaalsContact CD-CD1 3.48Å; P277-W281 WeakPolarHBondContact O-CB 3.26Å; P277-W281 VanDerWaalsContact O-CD1 3.28Å; P277-W281 PolarHBondContact O-N 2.98Å; P279-W281 PolarHBondContact O-N 3.18Å; W281-D283 VanDerWaalsContact C-N 3.33Å; W281-D283 PolarHBondContact O-N 2.71Å; W281-V284 HydrophobicContact CE3-CB 3.92Å; W281-V284 HydrophobicContact CE3-CG1 3.81Å; W281-V284 HydrophobicContact CE3-CG2 4.11Å; W281-V284 HydrophobicContact CZ3-CB 4.42Å; W281-V284 HydrophobicContact CZ3-CG1 3.81Å; W281-V284 PolarHBondContact O-N 3.22Å; W281-K289 HydrophobicContact CE3-CG 3.98Å; W281-K289 HydrophobicContact CZ3-CG 4.16Å; W281-K289 WeakPolarHBondContact O-CE 3.34Å; W281-K289 PolarHBondContact O-NZ 3.45Å; W281-I292 HydrophobicContact CH2-CD1 3.48Å; W281-I292 VanDerWaalsContact CH2-CD1 3.48Å; W281-I292 HydrophobicContact CZ3-CD1 3.86Å
282	D	94	Very high	91	Very high	94 Å²	94	56.1 Å²	56.1	50%	0.503	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-42.3	-171.3	-70.8	-11.2	0	0	0	111.5	S278 P279	S278-D282 VanDerWaalsContact CB-OD1 3.28Å; S278-D282 WeakPolarHBondContact CB-OD1 3.45Å; S278-D282 PolarHBondContact OG-OD1 3.06Å; P279-D282 PolarHBondContact O-N 3.38Å; P279-D282 VanDerWaalsContact O-N 3.12Å
283	D	93.3	Very high	92.6	Very high	124 Å²	124	59.4 Å²	59.4	66%	0.663	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.1	-177.7	-61.8	-45.9	0	0	0	114.5	W281 T324	W281-D283 VanDerWaalsContact C-N 3.33Å; W281-D283 PolarHBondContact O-N 2.71Å; D283-T324 HydrophobicContact CB-CG2 3.56Å
284	V	95.8	Very high	93.7	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.036	30%	0.297	C	S	.	.	S	Bend	trans	-75.4	132	177.7	176.7	0	0	0	0	110	L247 W281 A288 K289 L326	L247-V284 HydrophobicContact CD1-CG1 4.04Å; L247-V284 HydrophobicContact CD2-CG1 4.41Å; W281-V284 HydrophobicContact CE3-CB 3.92Å; W281-V284 HydrophobicContact CE3-CG1 3.81Å; W281-V284 HydrophobicContact CE3-CG2 4.11Å; W281-V284 HydrophobicContact CZ3-CB 4.42Å; W281-V284 HydrophobicContact CZ3-CG1 3.81Å; W281-V284 PolarHBondContact O-N 3.22Å; V284-A288 HydrophobicContact CG1-CB 3.84Å; V284-K289 VanDerWaalsContact O-CE 3.28Å; V284-K289 WeakPolarHBondContact O-CE 3.38Å; V284-K289 PolarHBondContact O-NZ 3.14Å; V284-K289 VanDerWaalsContact O-NZ 3.12Å; V284-L326 HydrophobicContact CG2-CD2 4.08Å
285	T	96.5	Very high	94.3	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.19	29%	0.288	C	S	.	.			trans	-57.1	148.8	-175.8	65.3	0	0	0	0	113.7	E150 D287 A288 K289 W314 P322	E150-T285 WeakPolarHBondContact OE1-CB 3.3Å; E150-T285 VanDerWaalsContact OE1-CG2 3.25Å; E150-T285 WeakPolarHBondContact OE1-CG2 3.27Å; E150-T285 PolarHBondContact OE1-OG1 3.21Å; E150-T285 PolarHBondContact OE2-N 3.48Å; E150-T285 VanDerWaalsContact OE2-N 3.15Å; T285-D287 VanDerWaalsContact C-N 3.26Å; T285-D287 PolarHBondContact O-N 3.3Å; T285-A288 WeakPolarHBondContact O-CB 3.5Å; T285-A288 PolarHBondContact O-N 3.2Å; T285-A288 WeakPolarHBondContact OG1-CB 3.44Å; T285-A288 PolarHBondContact OG1-N 3.09Å; T285-K289 PolarHBondContact O-N 2.97Å; T285-W314 PolarHBondContact OG1-NE1 2.89Å; T285-P322 HydrophobicContact CG2-CG 3.87Å
286	I	96	Very high	94.4	Very high	123 Å²	123	48.8 Å²	48.8	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-60.5	-38.9	174.9	-70.4	160.5	0	0	0	110.6	A288 K289 E290	I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 2.73Å; I286-K289 PolarHBondContact O-N 2.85Å; I286-K289 VanDerWaalsContact O-N 3.11Å; I286-E290 HydrophobicContact CG2-CG 4.12Å; I286-E290 WeakPolarHBondContact O-CG 3.25Å; I286-E290 PolarHBondContact O-N 3.29Å
287	D	96.6	Very high	94.3	Very high	84 Å²	84	50.5 Å²	50.5	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-39.5	178.2	-65.9	-26.2	0	0	0	112.1	T285 L291 H312 W314	T285-D287 VanDerWaalsContact C-N 3.26Å; T285-D287 PolarHBondContact O-N 3.3Å; D287-L291 WeakPolarHBondContact O-CB 3.49Å; D287-L291 PolarHBondContact O-N 3.17Å; D287-H312 PolarHBondContact O-CE1 3.02Å; D287-H312 VanDerWaalsContact O-CE1 3.32Å; D287-W314 HydrophobicContact CB-CB 4.1Å; D287-W314 HydrophobicContact CB-CG 4.43Å
288	A	97.1	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-44.4	174.1	0	0	0	0	0	111.6	M243 L247 V284 T285 I286 L291 I292 W314	M243-A288 HydrophobicContact CE-CB 3.98Å; M243-A288 WeakPolarHBondContact CE-O 3.36Å; L247-A288 HydrophobicContact CD1-CB 3.99Å; V284-A288 HydrophobicContact CG1-CB 3.84Å; T285-A288 WeakPolarHBondContact O-CB 3.5Å; T285-A288 PolarHBondContact O-N 3.2Å; T285-A288 WeakPolarHBondContact OG1-CB 3.44Å; T285-A288 PolarHBondContact OG1-N 3.09Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 2.73Å; A288-L291 PolarHBondContact O-N 2.63Å; A288-I292 WeakPolarHBondContact O-CG1 3.31Å; A288-I292 PolarHBondContact O-N 3.29Å; A288-W314 HydrophobicContact CB-CD2 4.42Å; A288-W314 HydrophobicContact CB-CZ2 4.19Å
289	K	97	Very high	93.6	Very high	39 Å²	39	50.3 Å²	50.3	17%	0.17	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-44	179.2	-67.2	170.1	-177.8	163.1	0	111.7	F276 W281 V284 T285 I286 I292 K293	F276-K289 HydrophobicContact CD1-CG 4.14Å; F276-K289 HydrophobicContact CD2-CB 4.3Å; F276-K289 HydrophobicContact CD2-CD 4.38Å; F276-K289 HydrophobicContact CD2-CG 4.22Å; F276-K289 HydrophobicContact CE1-CB 4.26Å; F276-K289 HydrophobicContact CE1-CG 4.12Å; F276-K289 HydrophobicContact CE2-CB 3.88Å; F276-K289 HydrophobicContact CE2-CG 4.24Å; F276-K289 HydrophobicContact CG-CD 4.37Å; F276-K289 HydrophobicContact CG-CG 4.16Å; F276-K289 HydrophobicContact CZ-CB 3.82Å; F276-K289 HydrophobicContact CZ-CG 4.16Å; F276-K289 WeakPolarHBondContact CZ-O 3.47Å; W281-K289 HydrophobicContact CE3-CG 3.98Å; W281-K289 HydrophobicContact CZ3-CG 4.16Å; W281-K289 WeakPolarHBondContact O-CE 3.34Å; W281-K289 PolarHBondContact O-NZ 3.45Å; V284-K289 VanDerWaalsContact O-CE 3.28Å; V284-K289 WeakPolarHBondContact O-CE 3.38Å; V284-K289 PolarHBondContact O-NZ 3.14Å; V284-K289 VanDerWaalsContact O-NZ 3.12Å; T285-K289 PolarHBondContact O-N 2.97Å; I286-K289 PolarHBondContact O-N 2.85Å; I286-K289 VanDerWaalsContact O-N 3.11Å; K289-I292 PolarHBondContact O-N 3.11Å; K289-K293 WeakPolarHBondContact O-CG 3.39Å; K289-K293 PolarHBondContact O-N 3.44Å
290	E	96.4	Very high	93.3	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-41.4	176.8	-71.4	-53.2	128.4	0	0	111.9	I286 I292 K293 G294	I286-E290 HydrophobicContact CG2-CG 4.12Å; I286-E290 WeakPolarHBondContact O-CG 3.25Å; I286-E290 PolarHBondContact O-N 3.29Å; E290-I292 VanDerWaalsContact C-N 3.35Å; E290-I292 PolarHBondContact O-N 3.46Å; E290-K293 WeakPolarHBondContact O-CB 3.29Å; E290-K293 PolarHBondContact O-N 2.99Å; E290-K293 IonicContact OE1-NZ 2.87Å; E290-K293 PolarHBondContact OE1-NZ 3Å; E290-G294 PolarHBondContact O-N 2.97Å; E290-G294 VanDerWaalsContact O-N 3.1Å
291	L	97.8	Very high	92.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-46.5	174.5	-179.5	55.3	0	0	0	111.3	M243 D287 A288 K293 G294 L295 L304 V309 H312 W314 V315	M243-L291 HydrophobicContact CE-CB 4.17Å; M243-L291 HydrophobicContact CE-CD2 3.81Å; M243-L291 HydrophobicContact CE-CG 4.17Å; M243-L291 HydrophobicContact SD-CD2 3.89Å; M243-L291 HydrophobicContact SD-CG 4.11Å; D287-L291 WeakPolarHBondContact O-CB 3.49Å; D287-L291 PolarHBondContact O-N 3.17Å; A288-L291 PolarHBondContact O-N 2.63Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 3.37Å; L291-G294 PolarHBondContact O-N 3.33Å; L291-G294 VanDerWaalsContact O-N 3.11Å; L291-L295 HydrophobicContact CD1-CD1 4.28Å; L291-L295 HydrophobicContact CD1-CG 4.2Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 HydrophobicContact CG-CG 4.36Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.13Å; L291-L295 PolarHBondContact O-N 2.9Å; L291-L304 HydrophobicContact CD1-CD1 3.89Å; L291-V309 HydrophobicContact CD1-CG1 4.31Å; L291-H312 HydrophobicContact CD1-CB 4.13Å; L291-W314 HydrophobicContact CD2-CE3 3.93Å; L291-V315 HydrophobicContact CD2-CG2 3.56Å
292	I	96.8	Very high	92.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-41.2	176.6	-71.9	171.9	0	0	0	111.7	M243 Y244 L247 F274 F276 W281 A288 K289 E290 G294 L295 L296	M243-I292 HydrophobicContact CB-CG1 4.49Å; M243-I292 HydrophobicContact CE-CD1 4.23Å; M243-I292 HydrophobicContact CE-CG1 3.9Å; M243-I292 HydrophobicContact CG-CD1 4.14Å; M243-I292 HydrophobicContact CG-CG1 4.02Å; M243-I292 HydrophobicContact SD-CD1 4.45Å; M243-I292 HydrophobicContact SD-CG1 3.81Å; Y244-I292 HydrophobicContact CD2-CD1 4.36Å; Y244-I292 HydrophobicContact CD2-CG2 4.05Å; L247-I292 HydrophobicContact CD1-CD1 3.81Å; F274-I292 HydrophobicContact CE2-CG2 3.7Å; F274-I292 HydrophobicContact CZ-CG2 4.04Å; F276-I292 HydrophobicContact CE1-CB 4.26Å; F276-I292 HydrophobicContact CE1-CD1 4.23Å; F276-I292 HydrophobicContact CE1-CG2 3.95Å; F276-I292 HydrophobicContact CZ-CB 4.19Å; F276-I292 HydrophobicContact CZ-CG2 4.02Å; W281-I292 HydrophobicContact CH2-CD1 3.48Å; W281-I292 VanDerWaalsContact CH2-CD1 3.48Å; W281-I292 HydrophobicContact CZ3-CD1 3.86Å; A288-I292 WeakPolarHBondContact O-CG1 3.31Å; A288-I292 PolarHBondContact O-N 3.29Å; K289-I292 PolarHBondContact O-N 3.11Å; E290-I292 VanDerWaalsContact C-N 3.35Å; E290-I292 PolarHBondContact O-N 3.46Å; I292-G294 VanDerWaalsContact C-N 3.3Å; I292-G294 PolarHBondContact O-N 3.48Å; I292-L295 PolarHBondContact O-N 3.47Å; I292-L296 HydrophobicContact CG2-CD1 3.63Å; I292-L296 HydrophobicContact CG2-CG 4.13Å; I292-L296 WeakPolarHBondContact O-CB 3.33Å; I292-L296 PolarHBondContact O-N 2.95Å
293	K	95.2	Very high	92.7	Very high	92 Å²	92	49.8 Å²	49.8	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-56.8	-44	174.4	-69.2	173.7	-170.5	173.8	0	112	F274 F276 K289 E290 L291 K297	F274-K293 HydrophobicContact CZ-CG 4.25Å; F276-K293 HydrophobicContact CE2-CG 4.19Å; F276-K293 HydrophobicContact CZ-CG 4.29Å; K289-K293 WeakPolarHBondContact O-CG 3.39Å; K289-K293 PolarHBondContact O-N 3.44Å; E290-K293 WeakPolarHBondContact O-CB 3.29Å; E290-K293 PolarHBondContact O-N 2.99Å; E290-K293 IonicContact OE1-NZ 2.87Å; E290-K293 PolarHBondContact OE1-NZ 3Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 3.37Å; K293-K297 WeakPolarHBondContact O-CG 3.2Å; K293-K297 PolarHBondContact O-N 3.42Å
294	G	95.5	Very high	92.8	Very high	10 Å²	10	45.9 Å²	45.9	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-36.9	176.1	0	0	0	0	0	114	E290 L291 I292 L304	E290-G294 PolarHBondContact O-N 2.97Å; E290-G294 VanDerWaalsContact O-N 3.1Å; L291-G294 PolarHBondContact O-N 3.33Å; L291-G294 VanDerWaalsContact O-N 3.11Å; I292-G294 VanDerWaalsContact C-N 3.3Å; I292-G294 PolarHBondContact O-N 3.48Å; G294-L304 PolarHBondContact O-N 3.26Å
295	L	95.3	Very high	92.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-72.1	-36.1	178.6	-65.5	172.5	0	0	0	112.9	I236 L239 M243 L291 I292 R303 V309	I236-L295 HydrophobicContact CG2-CB 4.49Å; I236-L295 HydrophobicContact CG2-CD2 3.37Å; L239-L295 HydrophobicContact CD2-CD2 4.14Å; L239-L295 HydrophobicContact CG-CD1 4.41Å; M243-L295 HydrophobicContact SD-CD1 3.91Å; L291-L295 HydrophobicContact CD1-CD1 4.28Å; L291-L295 HydrophobicContact CD1-CG 4.2Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 HydrophobicContact CG-CG 4.36Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.13Å; L291-L295 PolarHBondContact O-N 2.9Å; I292-L295 PolarHBondContact O-N 3.47Å; L295-R303 WeakPolarHBondContact O-CD 3.27Å; L295-R303 WeakPolarHBondContact O-CG 3.49Å; L295-V309 HydrophobicContact CD2-CB 4.45Å; L295-V309 HydrophobicContact CD2-CG1 4.1Å; L295-V309 HydrophobicContact CD2-CG2 3.43Å; L295-V309 VanDerWaalsContact CD2-CG2 3.43Å
296	L	91.8	Very high	92.7	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	16.6	-173.3	-64.7	-174.8	0	0	0	114.2	W237 V241 P252 F274 I292 T298	W237-L296 HydrophobicContact CG-CD2 4.4Å; V241-L296 HydrophobicContact CG2-CD2 3.71Å; P252-L296 HydrophobicContact CB-CD1 3.95Å; P252-L296 HydrophobicContact CG-CD1 3.91Å; F274-L296 HydrophobicContact CD1-CB 4.27Å; F274-L296 HydrophobicContact CD1-CD1 4.29Å; F274-L296 HydrophobicContact CD2-CD1 4.38Å; F274-L296 HydrophobicContact CE1-CB 3.58Å; F274-L296 HydrophobicContact CE1-CD1 4.12Å; F274-L296 HydrophobicContact CE1-CG 4.5Å; F274-L296 HydrophobicContact CE2-CD1 4.21Å; F274-L296 HydrophobicContact CG-CD1 4.41Å; F274-L296 HydrophobicContact CZ-CB 3.88Å; F274-L296 HydrophobicContact CZ-CD1 4.07Å; I292-L296 HydrophobicContact CG2-CD1 3.63Å; I292-L296 HydrophobicContact CG2-CG 4.13Å; I292-L296 WeakPolarHBondContact O-CB 3.33Å; I292-L296 PolarHBondContact O-N 2.95Å; L296-T298 PolarHBondContact O-N 3.47Å
297	K	89.7	Confident	92.7	Very high	82 Å²	82	47.7 Å²	47.7	36%	0.357	24%	0.243	S	C	.	.			trans	-57.4	134.7	170.3	-77	-167.7	167.6	-159.9	0	111.2	K293 E302 R303	K293-K297 WeakPolarHBondContact O-CG 3.2Å; K293-K297 PolarHBondContact O-N 3.42Å; K297-E302 HydrophobicContact CD-CB 3.63Å; K297-E302 WeakPolarHBondContact CD-O 3.17Å; K297-E302 IonicContact NZ-OE2 2.73Å; K297-E302 PolarHBondContact NZ-OE2 2.85Å; K297-R303 HydrophobicContact CB-CB 4.27Å; K297-R303 PolarHBondContact O-NE 2.99Å; K297-R303 PolarHBondContact O-NH2 2.91Å
298	T	81.8	Confident	92.7	Very high	71 Å²	71	48.5 Å²	48.5	44%	0.436	25%	0.245	S	C	.	.	S	Bend	trans	-66.1	-47.5	-179	40.2	0	0	0	0	112.1	R270 L296 P300 R303	R270-T298 WeakPolarHBondContact O-CG2 3.49Å; L296-T298 PolarHBondContact O-N 3.47Å; T298-P300 WeakPolarHBondContact O-CD 3.28Å; T298-R303 PolarHBondContact O-NH2 3.43Å
299	D	82.2	Confident	92.8	Very high	60 Å²	60	48.5 Å²	48.5	32%	0.321	25%	0.245	S	C	.	.	S	Bend	trans	-70.1	114.2	175.1	-169.9	-21.4	0	0	0	109.6	T301 E302 R303	D299-T301 PolarHBondContact O-N 2.85Å; D299-T301 WeakPolarHBondContact OD1-CB 3.15Å; D299-T301 PolarHBondContact OD1-N 2.84Å; D299-T301 PolarHBondContact OD1-OG1 3.39Å; D299-T301 PolarHBondContact OD2-OG1 2.83Å; D299-E302 HydrophobicContact CB-CB 4.23Å; D299-E302 HydrophobicContact CB-CG 4.05Å; D299-E302 PolarHBondContact O-N 3.2Å; D299-E302 VanDerWaalsContact O-N 3.15Å; D299-R303 PolarHBondContact O-N 3.47Å; D299-R303 VanDerWaalsContact O-N 3.16Å
300	P	84.6	Confident	92.7	Very high	25 Å²	25	47.4 Å²	47.4	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.8	176.6	-29.6	43.4	0	0	0	114.3	Y230 S233 T298	Y230-P300 HydrophobicContact CD1-CB 4.04Å; Y230-P300 HydrophobicContact CD1-CG 3.79Å; Y230-P300 HydrophobicContact CE1-CB 4.07Å; Y230-P300 HydrophobicContact CE1-CG 3.56Å; S233-P300 WeakPolarHBondContact OG-CB 3.34Å; T298-P300 WeakPolarHBondContact O-CD 3.28Å
301	T	84	Confident	92.7	Very high	81 Å²	81	46.2 Å²	46.2	50%	0.497	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-22.4	179.6	70.8	0	0	0	0	113	D299	D299-T301 PolarHBondContact O-N 2.85Å; D299-T301 WeakPolarHBondContact OD1-CB 3.15Å; D299-T301 PolarHBondContact OD1-N 2.84Å; D299-T301 PolarHBondContact OD1-OG1 3.39Å; D299-T301 PolarHBondContact OD2-OG1 2.83Å
302	E	89	Confident	92.7	Very high	112 Å²	112	48.1 Å²	48.1	52%	0.523	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.6	174.8	-63.7	-165.2	-179.1	0	0	113.4	K297 D299	K297-E302 HydrophobicContact CD-CB 3.63Å; K297-E302 WeakPolarHBondContact CD-O 3.17Å; K297-E302 IonicContact NZ-OE2 2.73Å; K297-E302 PolarHBondContact NZ-OE2 2.85Å; D299-E302 HydrophobicContact CB-CB 4.23Å; D299-E302 HydrophobicContact CB-CG 4.05Å; D299-E302 PolarHBondContact O-N 3.2Å; D299-E302 VanDerWaalsContact O-N 3.15Å
303	R	93.6	Very high	92.6	Very high	12 Å²	12	52 Å²	52	5%	0.045	28%	0.281	C	S	.	.	S	Bend	trans	-64.8	142.1	179.5	-168.1	179.5	-59.8	132.3	13.8	110.2	S233 I236 L295 K297 T298 D299	S233-R303 PolarHBondContact O-NH1 2.9Å; S233-R303 PolarHBondContact OG-NH1 3.28Å; S233-R303 VanDerWaalsContact OG-NH1 3.07Å; I236-R303 HydrophobicContact CB-CG 4.37Å; I236-R303 HydrophobicContact CG2-CG 3.88Å; L295-R303 WeakPolarHBondContact O-CD 3.27Å; L295-R303 WeakPolarHBondContact O-CG 3.49Å; K297-R303 HydrophobicContact CB-CB 4.27Å; K297-R303 PolarHBondContact O-NE 2.99Å; K297-R303 PolarHBondContact O-NH2 2.91Å; T298-R303 PolarHBondContact O-NH2 3.43Å; D299-R303 PolarHBondContact O-N 3.47Å; D299-R303 VanDerWaalsContact O-N 3.16Å
304	L	95.7	Very high	92.7	Very high	41 Å²	41	47.9 Å²	47.9	22%	0.215	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-55.5	144.6	179.8	-65.8	174.1	0	0	0	112.1	I236 L291 G294 E308 V309	I236-L304 WeakPolarHBondContact CG2-O 3.49Å; L291-L304 HydrophobicContact CD1-CD1 3.89Å; G294-L304 PolarHBondContact O-N 3.26Å; L304-E308 HydrophobicContact CD2-CB 4.13Å; L304-V309 HydrophobicContact CB-CG2 3.71Å; L304-V309 HydrophobicContact CD1-CG2 4.07Å
305	H	94.4	Very high	92.7	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.417	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-82.8	155.2	165.8	-69.6	-77.4	0	0	0	110.9	D307 E308 V309	H305-D307 PolarHBondContact O-N 3.43Å; H305-D307 VanDerWaalsContact O-N 3.15Å; H305-E308 HydrophobicContact CB-CG 4.33Å; H305-E308 WeakPolarHBondContact CB-OE2 3.38Å; H305-E308 IonicContact CD2-OE2 2.68Å; H305-E308 IonicContact CG-OE2 3.52Å; H305-E308 PolarHBondContact N-OE2 3.14Å; H305-E308 WeakPolarHBondContact O-CB 3.09Å; H305-E308 PolarHBondContact O-N 3.01Å; H305-V309 WeakPolarHBondContact O-CG2 3.22Å; H305-V309 PolarHBondContact O-N 3.47Å
306	I	96.4	Very high	92.6	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-32.4	-178.1	-170.6	57.3	0	0	0	113.2	C161 I164 R165 H168 I236 E308 V309 I310	C161-I306 HydrophobicContact CB-CD1 4.14Å; I164-I306 HydrophobicContact CB-CD1 3.92Å; I164-I306 HydrophobicContact CB-CG1 4.19Å; I164-I306 HydrophobicContact CG2-CB 4.3Å; I164-I306 HydrophobicContact CG2-CD1 3.79Å; I164-I306 HydrophobicContact CG2-CG1 3.85Å; R165-I306 HydrophobicContact CB-CG1 3.71Å; R165-I306 HydrophobicContact CB-CG2 4.38Å; R165-I306 HydrophobicContact CG-CG1 4.38Å; R165-I306 HydrophobicContact CG-CG2 4.33Å; H168-I306 HydrophobicContact CB-CG2 3.95Å; I236-I306 HydrophobicContact CD1-CB 3.88Å; I236-I306 HydrophobicContact CD1-CD1 4.14Å; I306-E308 VanDerWaalsContact C-N 3.32Å; I306-V309 HydrophobicContact CD1-CB 4.36Å; I306-V309 PolarHBondContact O-N 2.88Å; I306-I310 PolarHBondContact O-N 2.98Å
307	D	96.2	Very high	92.6	Very high	103 Å²	103	52.7 Å²	52.7	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-69	-31.5	177	-63.8	-50	0	0	0	112.2	H305 I310 A311	H305-D307 PolarHBondContact O-N 3.43Å; H305-D307 VanDerWaalsContact O-N 3.15Å; D307-I310 WeakPolarHBondContact O-CG2 3.3Å; D307-A311 VanDerWaalsContact O-CB 3.29Å; D307-A311 WeakPolarHBondContact O-CB 3.28Å; D307-A311 PolarHBondContact O-N 2.94Å
308	E	96.9	Very high	92.8	Very high	101 Å²	101	49.4 Å²	49.4	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-73.2	-41	172.8	-58.8	175.4	109.7	0	0	110.8	L304 H305 I306 A311 H312	L304-E308 HydrophobicContact CD2-CB 4.13Å; H305-E308 HydrophobicContact CB-CG 4.33Å; H305-E308 WeakPolarHBondContact CB-OE2 3.38Å; H305-E308 IonicContact CD2-OE2 2.68Å; H305-E308 IonicContact CG-OE2 3.52Å; H305-E308 PolarHBondContact N-OE2 3.14Å; H305-E308 WeakPolarHBondContact O-CB 3.09Å; H305-E308 PolarHBondContact O-N 3.01Å; I306-E308 VanDerWaalsContact C-N 3.32Å; E308-A311 PolarHBondContact O-N 2.75Å; E308-H312 PolarHBondContact O-N 3.49Å; E308-H312 VanDerWaalsContact O-N 3.12Å
309	V	97.8	Very high	93.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-47	178.8	175.4	0	0	0	0	111.3	I236 L239 L291 L295 L304 H305 I306 A311 H312 V315	I236-V309 HydrophobicContact CG2-CG2 4.47Å; L239-V309 HydrophobicContact CD2-CG1 3.88Å; L291-V309 HydrophobicContact CD1-CG1 4.31Å; L295-V309 HydrophobicContact CD2-CB 4.45Å; L295-V309 HydrophobicContact CD2-CG1 4.1Å; L295-V309 HydrophobicContact CD2-CG2 3.43Å; L295-V309 VanDerWaalsContact CD2-CG2 3.43Å; L304-V309 HydrophobicContact CB-CG2 3.71Å; L304-V309 HydrophobicContact CD1-CG2 4.07Å; H305-V309 WeakPolarHBondContact O-CG2 3.22Å; H305-V309 PolarHBondContact O-N 3.47Å; I306-V309 HydrophobicContact CD1-CB 4.36Å; I306-V309 PolarHBondContact O-N 2.88Å; V309-A311 VanDerWaalsContact C-N 3.29Å; V309-A311 PolarHBondContact O-N 3.44Å; V309-H312 WeakPolarHBondContact O-CB 3.33Å; V309-H312 PolarHBondContact O-N 3.02Å; V309-V315 WeakPolarHBondContact O-CG2 3.17Å
310	I	95.8	Very high	93.9	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-70.1	-28.7	-178.5	-156.8	171.2	0	0	0	112.4	C161 I306 D307 H312 V315	C161-I310 HydrophobicContact CB-CG1 4.4Å; I306-I310 PolarHBondContact O-N 2.98Å; D307-I310 WeakPolarHBondContact O-CG2 3.3Å; I310-H312 VanDerWaalsContact C-N 3.28Å; I310-V315 HydrophobicContact CG1-CG1 4.35Å
311	A	96.2	Very high	94.4	Very high	66 Å²	66	54.4 Å²	54.4	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-77.8	-13.1	175.2	0	0	0	0	0	113	D307 E308 V309	D307-A311 VanDerWaalsContact O-CB 3.29Å; D307-A311 WeakPolarHBondContact O-CB 3.28Å; D307-A311 PolarHBondContact O-N 2.94Å; E308-A311 PolarHBondContact O-N 2.75Å; V309-A311 VanDerWaalsContact C-N 3.29Å; V309-A311 PolarHBondContact O-N 3.44Å
312	H	97.2	Very high	95	Very high	40 Å²	40	53.2 Å²	53.2	19%	0.185	30%	0.298	C	S	.	.	S	Bend	trans	-60.5	135.1	-179.2	-167.6	-89.8	0	0	0	111.2	D287 L291 E308 V309 I310 W314 V315 T316	D287-H312 PolarHBondContact O-CE1 3.02Å; D287-H312 VanDerWaalsContact O-CE1 3.32Å; L291-H312 HydrophobicContact CD1-CB 4.13Å; E308-H312 PolarHBondContact O-N 3.49Å; E308-H312 VanDerWaalsContact O-N 3.12Å; V309-H312 WeakPolarHBondContact O-CB 3.33Å; V309-H312 PolarHBondContact O-N 3.02Å; I310-H312 VanDerWaalsContact C-N 3.28Å; H312-W314 WeakPolarHBondContact ND1-CB 3.31Å; H312-W314 PolarHBondContact ND1-N 3.34Å; H312-W314 PolarHBondContact O-N 3.25Å; H312-W314 VanDerWaalsContact O-N 3.11Å; H312-V315 HydrophobicContact CB-CG2 4.46Å; H312-V315 PolarHBondContact O-N 3.38Å; H312-T316 PolarHBondContact O-N 3.24Å
313	P	95.2	Very high	95.2	Very high	83 Å²	83	53.5 Å²	53.5	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-51.8	-39.1	-176	-30.5	36.3	0	0	0	114.4	V315 G317	P313-V315 VanDerWaalsContact C-N 3.3Å; P313-V315 PolarHBondContact O-N 3.32Å; P313-G317 WeakPolarHBondContact O-CA 3.27Å; P313-G317 PolarHBondContact O-N 2.73Å
314	W	97	Very high	95.2	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-33	177.9	-166.2	89.3	0	0	0	113.3	E150 V153 A154 I157 M243 L247 T285 D287 A288 L291 H312 C318 V321	E150-W314 HydrophobicContact CG-CZ2 4.03Å; E150-W314 PolarHBondContact OE1-NE1 2.8Å; V153-W314 HydrophobicContact CB-CH2 4.42Å; V153-W314 HydrophobicContact CG1-CH2 4.03Å; A154-W314 VanDerWaalsContact CA-CH2 3.42Å; A154-W314 HydrophobicContact CB-CD2 4.36Å; A154-W314 HydrophobicContact CB-CE3 4.26Å; A154-W314 HydrophobicContact CB-CH2 3.74Å; A154-W314 HydrophobicContact CB-CZ2 3.81Å; A154-W314 HydrophobicContact CB-CZ3 3.96Å; I157-W314 HydrophobicContact CB-CZ3 3.95Å; I157-W314 HydrophobicContact CG1-CH2 4.31Å; I157-W314 HydrophobicContact CG1-CZ3 4.11Å; I157-W314 HydrophobicContact CG2-CZ3 4Å; M243-W314 HydrophobicContact CE-CD2 4.15Å; M243-W314 HydrophobicContact CE-CE3 3.78Å; M243-W314 HydrophobicContact CE-CH2 3.71Å; M243-W314 HydrophobicContact CE-CZ2 4.1Å; M243-W314 HydrophobicContact CE-CZ3 3.55Å; M243-W314 HydrophobicContact SD-CZ3 4.15Å; L247-W314 HydrophobicContact CD2-CZ2 4.38Å; T285-W314 PolarHBondContact OG1-NE1 2.89Å; D287-W314 HydrophobicContact CB-CB 4.1Å; D287-W314 HydrophobicContact CB-CG 4.43Å; A288-W314 HydrophobicContact CB-CD2 4.42Å; A288-W314 HydrophobicContact CB-CZ2 4.19Å; L291-W314 HydrophobicContact CD2-CE3 3.93Å; H312-W314 WeakPolarHBondContact ND1-CB 3.31Å; H312-W314 PolarHBondContact ND1-N 3.34Å; H312-W314 PolarHBondContact O-N 3.25Å; H312-W314 VanDerWaalsContact O-N 3.11Å; W314-C318 PolarHBondContact O-N 3.14Å; W314-V321 HydrophobicContact CD2-CG2 4.46Å; W314-V321 HydrophobicContact CG-CG2 4.24Å
315	V	96.3	Very high	95.1	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-86.4	-55.2	-179.7	178.2	0	0	0	0	110.7	I157 Y158 L291 V309 I310 H312 P313 G317 C318	I157-V315 HydrophobicContact CG2-CG2 4.28Å; Y158-V315 HydrophobicContact CD2-CG1 3.77Å; Y158-V315 WeakPolarHBondContact CD2-O 3.05Å; Y158-V315 HydrophobicContact CG-CG1 4.5Å; L291-V315 HydrophobicContact CD2-CG2 3.56Å; V309-V315 WeakPolarHBondContact O-CG2 3.17Å; I310-V315 HydrophobicContact CG1-CG1 4.35Å; H312-V315 HydrophobicContact CB-CG2 4.46Å; H312-V315 PolarHBondContact O-N 3.38Å; P313-V315 VanDerWaalsContact C-N 3.3Å; P313-V315 PolarHBondContact O-N 3.32Å; V315-G317 PolarHBondContact O-N 2.99Å; V315-C318 WeakPolarHBondContact O-CB 3.35Å; V315-C318 PolarHBondContact O-N 2.76Å
316	T	93.4	Very high	95.1	Very high	93 Å²	93	53.7 Å²	53.7	57%	0.571	31%	0.311	S	S	*	.	H	α-helix	trans	-64.7	-27	179.4	-169.2	0	0	0	0	112.5	H312	H312-T316 PolarHBondContact O-N 3.24Å
317	G	92	Very high	94.8	Very high	20 Å²	20	55 Å²	55	21%	0.206	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	23.1	179	0	0	0	0	0	113.5	P313 V315 A319 K320 V321	P313-G317 WeakPolarHBondContact O-CA 3.27Å; P313-G317 PolarHBondContact O-N 2.73Å; V315-G317 PolarHBondContact O-N 2.99Å; G317-A319 PolarHBondContact O-N 3.35Å; G317-K320 WeakPolarHBondContact O-CA 3.26Å; G317-K320 WeakPolarHBondContact O-CB 3.21Å; G317-K320 PolarHBondContact O-N 2.99Å; G317-V321 PolarHBondContact O-N 3.41Å
318	C	92.2	Very high	94.5	Very high	13 Å²	13	50.1 Å²	50.1	9%	0.088	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-48.1	-36	-175.9	54.8	0	0	0	0	114.2	A154 W314 V315 K320 V321	A154-C318 HydrophobicContact CB-CB 3.61Å; W314-C318 PolarHBondContact O-N 3.14Å; V315-C318 WeakPolarHBondContact O-CB 3.35Å; V315-C318 PolarHBondContact O-N 2.76Å; C318-K320 PolarHBondContact O-N 3.12Å; C318-V321 WeakPolarHBondContact O-CB 3.1Å; C318-V321 PolarHBondContact O-N 3.01Å
319	A	93.3	Very high	94	Very high	68 Å²	68	47.2 Å²	47.2	56%	0.562	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-65.6	-20.5	176.5	0	0	0	0	0	114.6	G317	G317-A319 PolarHBondContact O-N 3.35Å
320	K	94.1	Very high	93.5	Very high	186 Å²	186	50 Å²	50	81%	0.809	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-95.4	-10.6	178.2	-60.8	-178.6	-178.7	177.5	0	113.1	G317 C318	G317-K320 WeakPolarHBondContact O-CA 3.26Å; G317-K320 WeakPolarHBondContact O-CB 3.21Å; G317-K320 PolarHBondContact O-N 2.99Å; C318-K320 PolarHBondContact O-N 3.12Å
321	V	95.9	Very high	93	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.048	30%	0.301	C	S	.	.	S	Bend	trans	-59.8	141.5	176.6	174.9	0	0	0	0	109.3	E150 R151 A154 W314 G317 C318	E150-V321 HydrophobicContact CB-CG1 4.01Å; E150-V321 HydrophobicContact CG-CG1 3.64Å; R151-V321 VanDerWaalsContact CZ-O 3.23Å; R151-V321 PolarHBondContact NE-O 2.83Å; R151-V321 PolarHBondContact NH2-O 3.43Å; A154-V321 HydrophobicContact CB-CB 4.14Å; A154-V321 HydrophobicContact CB-CG1 4.25Å; A154-V321 HydrophobicContact CB-CG2 3.83Å; W314-V321 HydrophobicContact CD2-CG2 4.46Å; W314-V321 HydrophobicContact CG-CG2 4.24Å; G317-V321 PolarHBondContact O-N 3.41Å; C318-V321 WeakPolarHBondContact O-CB 3.1Å; C318-V321 PolarHBondContact O-N 3.01Å
322	P	95.4	Very high	92.4	Very high	55 Å²	55	46.7 Å²	46.7	36%	0.357	28%	0.275	S	S	.	.			trans	-58.5	152.5	179.5	-25.9	36.4	0	0	0	113.4	R151 T285 T324	R151-P322 PolarHBondContact N-O 3.06Å; R151-P322 VanDerWaalsContact N-O 3.08Å; T285-P322 HydrophobicContact CG2-CG 3.87Å; P322-T324 WeakPolarHBondContact CB-OG1 3.36Å; P322-T324 PolarHBondContact O-N 2.91Å
323	E	95	Very high	91.7	Very high	119 Å²	119	48 Å²	48	56%	0.556	29%	0.293	S	S	*	.			trans	-86.2	28.6	170.9	-61	-168	152.5	0	0	112.5	T149 R151 P325	T149-E323 HydrophobicContact CG2-CB 4.27Å; T149-E323 VanDerWaalsContact CG2-O 3.29Å; T149-E323 WeakPolarHBondContact CG2-O 3.46Å; R151-E323 HydrophobicContact CB-CG 4.26Å; R151-E323 IonicContact CZ-OE1 3.87Å; R151-E323 IonicContact NE-OE1 2.69Å; R151-E323 IonicContact NH1-OE1 2.7Å; R151-E323 PolarHBondContact NH1-OE1 3.44Å; R151-E323 IonicContact NH1-OE2 3.56Å; E323-P325 WeakPolarHBondContact O-CD 3.48Å
324	T	93.6	Very high	90.9	Very high	35 Å²	35	51.8 Å²	51.8	22%	0.215	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-50.9	121.9	177	-56.1	0	0	0	0	109.7	T149 E150 D283 P322	T149-T324 VanDerWaalsContact CA-O 3.26Å; T149-T324 WeakPolarHBondContact CA-O 3.41Å; E150-T324 PolarHBondContact N-O 2.96Å; D283-T324 HydrophobicContact CB-CG2 3.56Å; P322-T324 WeakPolarHBondContact CB-OG1 3.36Å; P322-T324 PolarHBondContact O-N 2.91Å
325	P	93.8	Very high	89.8	Confident	91 Å²	91	53.3 Å²	53.3	59%	0.591	31%	0.31	S	S	*	.	B	Isolated β-bridge	trans	-62.4	136.1	174	-22.8	34.6	0	0	0	111.2	A147 E323	A147-P325 HydrophobicContact CB-CB 4.18Å; E323-P325 WeakPolarHBondContact O-CD 3.48Å
326	L	93.6	Very high	88.7	Confident	20 Å²	20	60 Å²	60	11%	0.105	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-103.9	146	178.7	-56.4	170.5	0	0	0	110.6	F148 E150 V153 L247 V284 T328	F148-L326 HydrophobicContact CD1-CD1 4.03Å; F148-L326 HydrophobicContact CE1-CD1 4.28Å; F148-L326 WeakPolarHBondContact O-CB 3.21Å; F148-L326 PolarHBondContact O-N 2.76Å; E150-L326 HydrophobicContact CB-CD2 4.3Å; V153-L326 HydrophobicContact CG2-CD1 3.47Å; V153-L326 VanDerWaalsContact CG2-CD1 3.47Å; L247-L326 HydrophobicContact CD2-CD1 4.12Å; L247-L326 HydrophobicContact CD2-CD2 4.33Å; V284-L326 HydrophobicContact CG2-CD2 4.08Å; L326-T328 PolarHBondContact O-N 2.91Å
327	C	90.4	Very high	87.7	Confident	34 Å²	34	63.8 Å²	63.8	23%	0.23	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-4.8	173.1	60	0	0	0	0	113.7	C248 E280 L329 S330 V331	C248-C327 PolarHBondContact O-SG 3.49Å; C248-C327 VanDerWaalsContact O-SG 3.37Å; E280-C327 WeakPolarHBondContact CB-SG 3.32Å; E280-C327 HydrophobicContact CG-CB 4.25Å; E280-C327 WeakPolarHBondContact CG-SG 3.46Å; C327-L329 PolarHBondContact O-N 3.36Å; C327-S330 PolarHBondContact O-N 3.01Å; C327-S330 PolarHBondContact O-OG 3.02Å; C327-V331 HydrophobicContact CB-CG2 4.37Å; C327-V331 PolarHBondContact O-N 3.41Å
328	T	89	Confident	86.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-47.7	-39.6	-176.2	-49.9	0	0	0	0	113.3	I140 F148 L246 L247 L326 L332	I140-T328 HydrophobicContact CG2-CG2 4.35Å; F148-T328 HydrophobicContact CD1-CG2 4.09Å; F148-T328 HydrophobicContact CE1-CG2 4.1Å; L246-T328 WeakPolarHBondContact O-CG2 3.41Å; L246-T328 PolarHBondContact O-OG1 2.74Å; L247-T328 PolarHBondContact O-OG1 2.73Å; L326-T328 PolarHBondContact O-N 2.91Å; T328-L332 HydrophobicContact CG2-CD1 3.78Å; T328-L332 HydrophobicContact CG2-CG 4.34Å; T328-L332 VanDerWaalsContact O-CB 3.26Å; T328-L332 WeakPolarHBondContact O-CB 3.41Å; T328-L332 VanDerWaalsContact O-CG 3.25Å; T328-L332 WeakPolarHBondContact O-CG 3.45Å; T328-L332 PolarHBondContact O-N 3.09Å
329	L	87.3	Confident	86.1	Confident	39 Å²	39	66.5 Å²	66.5	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-41.7	179.9	-68.8	176.8	0	0	0	113	I140 R143 F148 C327 A333	I140-L329 HydrophobicContact CG2-CD2 3.57Å; I140-L329 WeakPolarHBondContact O-CD2 3.49Å; R143-L329 HydrophobicContact CB-CD2 4.16Å; F148-L329 HydrophobicContact CB-CD1 3.84Å; F148-L329 HydrophobicContact CB-CD2 4.42Å; F148-L329 HydrophobicContact CB-CG 3.84Å; C327-L329 PolarHBondContact O-N 3.36Å; L329-A333 VanDerWaalsContact O-CB 3.31Å; L329-A333 WeakPolarHBondContact O-CB 3.38Å; L329-A333 PolarHBondContact O-N 3.49Å
330	S	85.9	Confident	85.4	Confident	59 Å²	59	68.2 Å²	68.2	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-70.4	-46.3	179.1	52.9	0	0	0	0	110.4	C327 L332 A333 E334	C327-S330 PolarHBondContact O-N 3.01Å; C327-S330 PolarHBondContact O-OG 3.02Å; S330-L332 PolarHBondContact O-N 3.21Å; S330-A333 WeakPolarHBondContact O-CB 3.31Å; S330-A333 PolarHBondContact O-N 2.77Å; S330-A333 VanDerWaalsContact O-N 3.13Å; S330-E334 WeakPolarHBondContact O-CG 3.4Å; S330-E334 PolarHBondContact O-N 2.95Å
331	V	86.2	Confident	84.5	Confident	12 Å²	12	62.5 Å²	62.5	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-48.5	179.7	176	0	0	0	0	111.4	C248 F250 E280 C327 A333 E334 E335	C248-V331 WeakPolarHBondContact O-CG2 3.49Å; F250-V331 HydrophobicContact CB-CG1 4.25Å; F250-V331 HydrophobicContact CD1-CG1 4.11Å; E280-V331 HydrophobicContact CG-CG2 4.48Å; C327-V331 HydrophobicContact CB-CG2 4.37Å; C327-V331 PolarHBondContact O-N 3.41Å; V331-A333 PolarHBondContact O-N 3.41Å; V331-E334 PolarHBondContact O-N 2.8Å; V331-E335 HydrophobicContact CG1-CG 4.46Å; V331-E335 PolarHBondContact O-N 2.81Å
332	L	83.8	Confident	83.5	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-22	178.8	-73.7	176	0	0	0	113.5	F137 I140 Q141 G249 T328 S330 W339	F137-L332 HydrophobicContact CD1-CD1 4.48Å; I140-L332 HydrophobicContact CG2-CD1 4.06Å; Q141-L332 HydrophobicContact CG-CB 3.84Å; Q141-L332 HydrophobicContact CG-CD1 4.24Å; Q141-L332 PolarHBondContact NE2-O 3.46Å; G249-L332 WeakPolarHBondContact O-CD2 3.42Å; T328-L332 HydrophobicContact CG2-CD1 3.78Å; T328-L332 HydrophobicContact CG2-CG 4.34Å; T328-L332 VanDerWaalsContact O-CB 3.26Å; T328-L332 WeakPolarHBondContact O-CB 3.41Å; T328-L332 VanDerWaalsContact O-CG 3.25Å; T328-L332 WeakPolarHBondContact O-CG 3.45Å; T328-L332 PolarHBondContact O-N 3.09Å; S330-L332 PolarHBondContact O-N 3.21Å; L332-W339 HydrophobicContact CD2-CD2 4.03Å; L332-W339 HydrophobicContact CD2-CE3 3.51Å; L332-W339 HydrophobicContact CD2-CH2 4.17Å; L332-W339 HydrophobicContact CD2-CZ3 3.59Å
333	A	81.6	Confident	82.5	Confident	67 Å²	67	62.4 Å²	62.4	55%	0.554	33%	0.329	S	S	*	.	H	α-helix	trans	-80.7	-39.4	175	0	0	0	0	0	111.6	L329 S330 V331	L329-A333 VanDerWaalsContact O-CB 3.31Å; L329-A333 WeakPolarHBondContact O-CB 3.38Å; L329-A333 PolarHBondContact O-N 3.49Å; S330-A333 WeakPolarHBondContact O-CB 3.31Å; S330-A333 PolarHBondContact O-N 2.77Å; S330-A333 VanDerWaalsContact O-N 3.13Å; V331-A333 PolarHBondContact O-N 3.41Å
334	E	80	Confident	81.6	Confident	162 Å²	162	62.5 Å²	62.5	76%	0.757	33%	0.33	S	S	*	.	H	α-helix	trans	-67.9	-43.8	176	-72.3	172.3	-162.6	0	0	111.7	S330 V331 K336	S330-E334 WeakPolarHBondContact O-CG 3.4Å; S330-E334 PolarHBondContact O-N 2.95Å; V331-E334 PolarHBondContact O-N 2.8Å; E334-K336 VanDerWaalsContact C-N 3.28Å; E334-K336 PolarHBondContact O-N 2.86Å
335	E	72.4	Confident	80.6	Confident	37 Å²	37	63.3 Å²	63.3	17%	0.173	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	17.6	-178.4	-63.8	-168	163.6	0	0	113.5	Y254 V331 E337 Q338 W339	Y254-E335 PolarHBondContact OH-OE1 3.11Å; Y254-E335 PolarHBondContact OH-OE2 2.92Å; V331-E335 HydrophobicContact CG1-CG 4.46Å; V331-E335 PolarHBondContact O-N 2.81Å; E335-E337 PolarHBondContact O-N 2.9Å; E335-Q338 HydrophobicContact CB-CB 4.48Å; E335-Q338 CarbonylContact O-C 3.53Å; E335-Q338 PolarHBondContact O-N 2.74Å; E335-W339 WeakPolarHBondContact O-CB 3.49Å; E335-W339 PolarHBondContact O-N 2.86Å
336	K	74.1	Confident	79.6	Confident	142 Å²	142	59.6 Å²	59.6	62%	0.617	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.5	-172.4	-171.6	-178.7	179.7	-175	0	113.7	E334	E334-K336 VanDerWaalsContact C-N 3.28Å; E334-K336 PolarHBondContact O-N 2.86Å
337	E	72.7	Confident	78.7	Confident	172 Å²	172	60.8 Å²	60.8	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-43	176.7	-65.2	-171.1	166.3	0	0	112.2	E335 W339	E335-E337 PolarHBondContact O-N 2.9Å; E337-W339 VanDerWaalsContact C-N 3.26Å; E337-W339 PolarHBondContact O-N 2.88Å
338	Q	74.3	Confident	77.9	Confident	83 Å²	83	62 Å²	62	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-74.1	-19.6	179.5	-61.4	179.3	12	0	0	112.4	E335 N340 D341 V342	E335-Q338 HydrophobicContact CB-CB 4.48Å; E335-Q338 CarbonylContact O-C 3.53Å; E335-Q338 PolarHBondContact O-N 2.74Å; Q338-N340 PolarHBondContact O-N 3.24Å; Q338-D341 WeakPolarHBondContact O-CB 3.39Å; Q338-D341 PolarHBondContact O-N 3.36Å; Q338-V342 WeakPolarHBondContact O-CG2 3.32Å; Q338-V342 PolarHBondContact O-N 2.62Å
339	W	76.4	Confident	77.1	Confident	7 Å²	7	62.4 Å²	62.4	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-58.2	-36	-178.6	-179.5	-108.3	0	0	0	112.9	F137 I245 L332 E335 E337 V342 Q343	F137-W339 HydrophobicContact CB-CH2 4.38Å; F137-W339 HydrophobicContact CB-CZ2 3.57Å; F137-W339 AromaticContact CD1-CH2 3.68Å; F137-W339 HydrophobicContact CD1-CH2 3.68Å; F137-W339 AromaticContact CD1-CZ2 3.73Å; F137-W339 HydrophobicContact CD1-CZ2 3.73Å; F137-W339 HydrophobicContact CD2-CH2 4.03Å; F137-W339 AromaticContact CD2-CZ2 3.55Å; F137-W339 HydrophobicContact CD2-CZ2 3.55Å; F137-W339 AromaticContact CE1-CH2 3.88Å; F137-W339 HydrophobicContact CE1-CH2 3.88Å; F137-W339 HydrophobicContact CE1-CZ2 4.3Å; F137-W339 HydrophobicContact CE2-CH2 4.18Å; F137-W339 HydrophobicContact CE2-CZ2 4.12Å; F137-W339 AromaticContact CG-CH2 3.76Å; F137-W339 HydrophobicContact CG-CH2 3.76Å; F137-W339 AromaticContact CG-CZ2 3.31Å; F137-W339 HydrophobicContact CG-CZ2 3.31Å; F137-W339 HydrophobicContact CZ-CH2 4.11Å; F137-W339 HydrophobicContact CZ-CZ2 4.47Å; I245-W339 HydrophobicContact CD1-CH2 4.29Å; I245-W339 HydrophobicContact CG2-CH2 3.79Å; I245-W339 HydrophobicContact CG2-CZ3 3.82Å; L332-W339 HydrophobicContact CD2-CD2 4.03Å; L332-W339 HydrophobicContact CD2-CE3 3.51Å; L332-W339 HydrophobicContact CD2-CH2 4.17Å; L332-W339 HydrophobicContact CD2-CZ3 3.59Å; E335-W339 WeakPolarHBondContact O-CB 3.49Å; E335-W339 PolarHBondContact O-N 2.86Å; E337-W339 VanDerWaalsContact C-N 3.26Å; E337-W339 PolarHBondContact O-N 2.88Å; W339-V342 HydrophobicContact CE3-CB 4.34Å; W339-V342 HydrophobicContact CE3-CG1 4.14Å; W339-V342 HydrophobicContact CZ3-CG1 3.95Å; W339-V342 PolarHBondContact O-N 3.17Å; W339-Q343 HydrophobicContact CD2-CG 4.4Å; W339-Q343 HydrophobicContact CZ2-CG 3.94Å; W339-Q343 VanDerWaalsContact NE1-CD 3.26Å; W339-Q343 VanDerWaalsContact NE1-NE2 3.16Å; W339-Q343 WeakPolarHBondContact O-CB 3.47Å; W339-Q343 WeakPolarHBondContact O-CG 3.33Å; W339-Q343 PolarHBondContact O-N 2.73Å
340	N	77.5	Confident	76.3	Confident	104 Å²	104	60.6 Å²	60.6	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-42.3	175.8	-67.5	-34.7	0	0	0	111.3	Q338 Q343 E344	Q338-N340 PolarHBondContact O-N 3.24Å; N340-Q343 WeakPolarHBondContact O-CB 3.31Å; N340-Q343 PolarHBondContact O-N 2.74Å; N340-Q343 VanDerWaalsContact O-N 3.13Å; N340-E344 PolarHBondContact O-N 2.93Å
341	D	76.1	Confident	75.8	Confident	65 Å²	65	60.4 Å²	60.4	35%	0.348	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-40.5	177.6	-57.6	-30.2	0	0	0	110.9	I261 Q338 Q343 E344 E345	I261-D341 HydrophobicContact CD1-CB 3.74Å; I261-D341 WeakPolarHBondContact CD1-OD2 3.46Å; I261-D341 HydrophobicContact CG1-CB 4.28Å; Q338-D341 WeakPolarHBondContact O-CB 3.39Å; Q338-D341 PolarHBondContact O-N 3.36Å; D341-Q343 VanDerWaalsContact C-N 3.28Å; D341-Q343 PolarHBondContact O-N 2.83Å; D341-E344 PolarHBondContact O-N 2.86Å; D341-E345 PolarHBondContact O-N 2.77Å
342	V	73.8	Confident	75	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-39.7	171.9	170.5	0	0	0	0	111	P251 Q338 W339 M346	P251-V342 HydrophobicContact CB-CG1 4.14Å; P251-V342 HydrophobicContact CG-CG1 3.73Å; P251-V342 HydrophobicContact CG-CG2 4.12Å; Q338-V342 WeakPolarHBondContact O-CG2 3.32Å; Q338-V342 PolarHBondContact O-N 2.62Å; W339-V342 HydrophobicContact CE3-CB 4.34Å; W339-V342 HydrophobicContact CE3-CG1 4.14Å; W339-V342 HydrophobicContact CZ3-CG1 3.95Å; W339-V342 PolarHBondContact O-N 3.17Å; V342-M346 HydrophobicContact CG1-SD 4.14Å; V342-M346 WeakPolarHBondContact O-CB 3.45Å; V342-M346 VanDerWaalsContact O-CG 3.29Å; V342-M346 WeakPolarHBondContact O-CG 3.29Å; V342-M346 PolarHBondContact O-N 2.96Å; V342-M346 VanDerWaalsContact O-N 3.11Å
343	Q	75.4	Confident	74.3	Confident	55 Å²	55	66.5 Å²	66.5	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-46.3	176.4	-76.9	-174.4	-35.6	0	0	112.6	W339 N340 D341 S347	W339-Q343 HydrophobicContact CD2-CG 4.4Å; W339-Q343 HydrophobicContact CZ2-CG 3.94Å; W339-Q343 VanDerWaalsContact NE1-CD 3.26Å; W339-Q343 VanDerWaalsContact NE1-NE2 3.16Å; W339-Q343 WeakPolarHBondContact O-CB 3.47Å; W339-Q343 WeakPolarHBondContact O-CG 3.33Å; W339-Q343 PolarHBondContact O-N 2.73Å; N340-Q343 WeakPolarHBondContact O-CB 3.31Å; N340-Q343 PolarHBondContact O-N 2.74Å; N340-Q343 VanDerWaalsContact O-N 3.13Å; D341-Q343 VanDerWaalsContact C-N 3.28Å; D341-Q343 PolarHBondContact O-N 2.83Å; Q343-S347 PolarHBondContact O-N 3.05Å; Q343-S347 VanDerWaalsContact O-N 3.09Å
344	E	76	Confident	73.9	Confident	121 Å²	121	64.6 Å²	64.6	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-48	178.1	-171.4	177	172.1	0	0	112	N340 D341 M346 S347 N348	N340-E344 PolarHBondContact O-N 2.93Å; D341-E344 PolarHBondContact O-N 2.86Å; E344-M346 VanDerWaalsContact C-N 3.32Å; E344-M346 PolarHBondContact O-N 2.75Å; E344-S347 WeakPolarHBondContact O-CA 3.47Å; E344-S347 WeakPolarHBondContact O-CB 3.48Å; E344-S347 PolarHBondContact O-N 2.91Å; E344-S347 VanDerWaalsContact O-N 3.08Å; E344-N348 PolarHBondContact O-N 2.86Å; E344-N348 PolarHBondContact O-ND2 2.79Å
345	E	71.9	Confident	73.3	Confident	51 Å²	51	59.9 Å²	59.9	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-36.9	180	-80.3	-62.8	145.8	0	0	112.6	D341 N348 A349	D341-E345 PolarHBondContact O-N 2.77Å; E345-N348 PolarHBondContact O-N 2.95Å; E345-A349 WeakPolarHBondContact O-CB 3.44Å; E345-A349 PolarHBondContact O-N 3.43Å
346	M	72.4	Confident	72.9	Confident	14 Å²	14	62 Å²	62	7%	0.069	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-39	172.9	-75.2	-178.6	57	0	0	112.2	K178 V241 I245 V342 E344 N348 A349 L350	K178-M346 HydrophobicContact CD-CB 4.12Å; K178-M346 HydrophobicContact CD-CE 3.68Å; K178-M346 HydrophobicContact CD-SD 4.43Å; K178-M346 HydrophobicContact CG-CE 4.02Å; K178-M346 VanDerWaalsContact NZ-CB 3.32Å; K178-M346 PolarHBondContact NZ-SD 3.46Å; V241-M346 HydrophobicContact CB-CE 3.87Å; V241-M346 HydrophobicContact CG1-CE 3.14Å; V241-M346 HydrophobicContact CG1-SD 3.78Å; I245-M346 HydrophobicContact CD1-CE 3.68Å; I245-M346 HydrophobicContact CD1-SD 3.39Å; I245-M346 WeakPolarHBondContact CD1-SD 3.46Å; V342-M346 HydrophobicContact CG1-SD 4.14Å; V342-M346 WeakPolarHBondContact O-CB 3.45Å; V342-M346 VanDerWaalsContact O-CG 3.29Å; V342-M346 WeakPolarHBondContact O-CG 3.29Å; V342-M346 PolarHBondContact O-N 2.96Å; V342-M346 VanDerWaalsContact O-N 3.11Å; E344-M346 VanDerWaalsContact C-N 3.32Å; E344-M346 PolarHBondContact O-N 2.75Å; M346-N348 VanDerWaalsContact C-N 3.33Å; M346-A349 PolarHBondContact O-N 3.16Å; M346-L350 VanDerWaalsContact O-CG 3.3Å; M346-L350 WeakPolarHBondContact O-CG 3.35Å; M346-L350 PolarHBondContact O-N 3.39Å
347	S	74.8	Confident	72.2	Confident	44 Å²	44	59 Å²	59	31%	0.308	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-42.9	173.4	-169.7	0	0	0	0	111.1	Q343 E344 L350 A351	Q343-S347 PolarHBondContact O-N 3.05Å; Q343-S347 VanDerWaalsContact O-N 3.09Å; E344-S347 WeakPolarHBondContact O-CA 3.47Å; E344-S347 WeakPolarHBondContact O-CB 3.48Å; E344-S347 PolarHBondContact O-N 2.91Å; E344-S347 VanDerWaalsContact O-N 3.08Å; S347-L350 PolarHBondContact O-N 2.98Å; S347-A351 WeakPolarHBondContact O-CB 3.27Å; S347-A351 PolarHBondContact O-N 3.2Å
348	N	74.2	Confident	71.5	Confident	61 Å²	61	56.6 Å²	56.6	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-43.7	175.5	-71.3	-27.7	0	0	0	112.1	E344 E345 M346 A351 T352	E344-N348 PolarHBondContact O-N 2.86Å; E344-N348 PolarHBondContact O-ND2 2.79Å; E345-N348 PolarHBondContact O-N 2.95Å; M346-N348 VanDerWaalsContact C-N 3.33Å; N348-A351 WeakPolarHBondContact O-CB 3.34Å; N348-A351 PolarHBondContact O-N 2.88Å; N348-T352 WeakPolarHBondContact O-CG2 3.48Å; N348-T352 PolarHBondContact O-N 2.81Å
349	A	72	Confident	70.7	Confident	7 Å²	7	59.2 Å²	59.2	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-47.8	175.7	0	0	0	0	0	111.2	W237 I269 E345 M346 A351 T352 M353	W237-A349 HydrophobicContact CH2-CB 3.73Å; W237-A349 HydrophobicContact CZ2-CB 4.47Å; I269-A349 HydrophobicContact CD1-CB 3.75Å; E345-A349 WeakPolarHBondContact O-CB 3.44Å; E345-A349 PolarHBondContact O-N 3.43Å; M346-A349 PolarHBondContact O-N 3.16Å; A349-A351 VanDerWaalsContact C-N 3.32Å; A349-A351 PolarHBondContact O-N 3.47Å; A349-T352 PolarHBondContact O-N 2.85Å; A349-T352 VanDerWaalsContact O-N 3.08Å; A349-T352 PolarHBondContact O-OG1 3.21Å; A349-M353 WeakPolarHBondContact O-CE 3.42Å; A349-M353 PolarHBondContact O-N 3.04Å
350	L	71.8	Confident	69.7	Low	2 Å²	2	67.7 Å²	67.7	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-56.5	-46.2	173.7	-71.3	171.8	0	0	0	111.6	K178 W237 S238 M346 S347 T352 M353 R354	K178-L350 HydrophobicContact CB-CD1 4.26Å; W237-L350 HydrophobicContact CE3-CD2 3.57Å; W237-L350 HydrophobicContact CE3-CG 4.48Å; W237-L350 HydrophobicContact CZ3-CD2 3.42Å; W237-L350 VanDerWaalsContact CZ3-CD2 3.42Å; W237-L350 HydrophobicContact CZ3-CG 3.85Å; S238-L350 WeakPolarHBondContact OG-CD2 3.48Å; M346-L350 VanDerWaalsContact O-CG 3.3Å; M346-L350 WeakPolarHBondContact O-CG 3.35Å; M346-L350 PolarHBondContact O-N 3.39Å; S347-L350 PolarHBondContact O-N 2.98Å; L350-T352 PolarHBondContact O-N 3.05Å; L350-M353 HydrophobicContact CD2-CE 4.12Å; L350-M353 PolarHBondContact O-N 2.81Å; L350-M353 VanDerWaalsContact O-N 3.08Å; L350-R354 WeakPolarHBondContact O-CG 3.05Å; L350-R354 PolarHBondContact O-N 2.89Å
351	A	73.9	Confident	68.9	Low	54 Å²	54	71.2 Å²	71.2	45%	0.446	37%	0.369	S	S	.	.	H	α-helix	trans	-58.2	-35	177.2	0	0	0	0	0	112.6	S347 N348 A349	S347-A351 WeakPolarHBondContact O-CB 3.27Å; S347-A351 PolarHBondContact O-N 3.2Å; N348-A351 WeakPolarHBondContact O-CB 3.34Å; N348-A351 PolarHBondContact O-N 2.88Å; A349-A351 VanDerWaalsContact C-N 3.32Å; A349-A351 PolarHBondContact O-N 3.47Å
352	T	70.7	Confident	68.6	Low	94 Å²	94	76 Å²	76	58%	0.577	39%	0.393	S	S	*	.	H	α-helix	trans	-75.7	-23	176.9	63.4	0	0	0	0	114.7	N348 A349 L350	N348-T352 WeakPolarHBondContact O-CG2 3.48Å; N348-T352 PolarHBondContact O-N 2.81Å; A349-T352 PolarHBondContact O-N 2.85Å; A349-T352 VanDerWaalsContact O-N 3.08Å; A349-T352 PolarHBondContact O-OG1 3.21Å; L350-T352 PolarHBondContact O-N 3.05Å
353	M	68.8	Low	68.6	Low	48 Å²	48	82.5 Å²	82.5	24%	0.236	42%	0.421	C	S	.	.	H	α-helix	trans	-88.6	-18.7	175.5	-70.8	178.7	-69.3	0	0	112.8	W237 A349 L350 V355	W237-M353 HydrophobicContact CD2-CE 3.34Å; W237-M353 HydrophobicContact CD2-SD 3.7Å; W237-M353 HydrophobicContact CE3-CE 3.08Å; W237-M353 HydrophobicContact CE3-SD 4.06Å; W237-M353 HydrophobicContact CG-CE 4.19Å; W237-M353 HydrophobicContact CG-SD 3.99Å; W237-M353 HydrophobicContact CH2-CE 3.39Å; W237-M353 HydrophobicContact CZ2-CE 3.63Å; W237-M353 HydrophobicContact CZ2-SD 4.28Å; W237-M353 HydrophobicContact CZ3-CE 3.11Å; W237-M353 HydrophobicContact CZ3-SD 4.49Å; A349-M353 WeakPolarHBondContact O-CE 3.42Å; A349-M353 PolarHBondContact O-N 3.04Å; L350-M353 HydrophobicContact CD2-CE 4.12Å; L350-M353 PolarHBondContact O-N 2.81Å; L350-M353 VanDerWaalsContact O-N 3.08Å; M353-V355 PolarHBondContact O-N 2.79Å
354	R	72	Confident	68.6	Low	26 Å²	26	85.5 Å²	85.5	10%	0.098	44%	0.438	C	S	.	.	S	Bend	trans	-69.8	123.5	171.4	-70.4	170.3	-165.2	163.7	11.7	109.2	R175 D176 L350 D356	R175-R354 HydrophobicContact CB-CG 4.22Å; R175-R354 PolarHBondContact O-NE 3.46Å; R175-R354 PolarHBondContact O-NH2 2.81Å; D176-R354 IonicContact OD1-CZ 3.84Å; D176-R354 IonicContact OD1-NH2 3.9Å; D176-R354 PolarHBondContact OD1-NH2 2.89Å; D176-R354 IonicContact OD2-NH2 3.84Å; L350-R354 WeakPolarHBondContact O-CG 3.05Å; L350-R354 PolarHBondContact O-N 2.89Å; R354-D356 PolarHBondContact O-N 3.33Å
355	V	67.1	Low	68.6	Low	63 Å²	63	85.6 Å²	85.6	38%	0.382	44%	0.442	S	S	.	.			trans	-76.4	108.7	161.8	-176.4	0	0	0	0	106.7	R175 M353 Y357	R175-V355 PolarHBondContact NH1-O 3.49Å; M353-V355 PolarHBondContact O-N 2.79Å; V355-Y357 HydrophobicContact CB-CE2 4.06Å; V355-Y357 HydrophobicContact CG1-CD1 4.24Å; V355-Y357 HydrophobicContact CG1-CD2 4.41Å; V355-Y357 HydrophobicContact CG1-CE1 3.86Å; V355-Y357 HydrophobicContact CG1-CE2 4.09Å; V355-Y357 WeakPolarHBondContact O-CD2 3.42Å; V355-Y357 VanDerWaalsContact O-CE2 3.27Å; V355-Y357 WeakPolarHBondContact O-CE2 3.32Å; V355-Y357 PolarHBondContact O-N 2.56Å
356	D	64	Low	69	Low	82 Å²	82	87.4 Å²	87.4	44%	0.439	46%	0.46	S	S	.	.			trans	-87.2	103.9	173.7	-170.2	1.1	0	0	0	109.4	R354 D358 Q359	R354-D356 PolarHBondContact O-N 3.33Å; D356-D358 PolarHBondContact O-N 2.87Å; D356-D358 PolarHBondContact OD1-N 2.99Å; D356-D358 VanDerWaalsContact OD1-N 3.11Å; D356-Q359 HydrophobicContact CB-CG 3.95Å; D356-Q359 PolarHBondContact O-N 2.93Å
357	Y	60.5	Low	69.5	Low	79 Å²	79	91.4 Å²	91.4	31%	0.31	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.5	-178.3	-58.4	-92.1	0	0	0	112.6	K200 T227 D231 V355 Q359	K200-Y357 HydrophobicContact CD-CD2 4.11Å; K200-Y357 HydrophobicContact CD-CE2 4.14Å; K200-Y357 VanDerWaalsContact NZ-CG 3.29Å; T227-Y357 WeakPolarHBondContact CB-OH 3.26Å; T227-Y357 HydrophobicContact CG2-CE1 3.89Å; T227-Y357 WeakPolarHBondContact CG2-OH 3.47Å; D231-Y357 PolarHBondContact OD2-OH 3.25Å; V355-Y357 HydrophobicContact CB-CE2 4.06Å; V355-Y357 HydrophobicContact CG1-CD1 4.24Å; V355-Y357 HydrophobicContact CG1-CD2 4.41Å; V355-Y357 HydrophobicContact CG1-CE1 3.86Å; V355-Y357 HydrophobicContact CG1-CE2 4.09Å; V355-Y357 WeakPolarHBondContact O-CD2 3.42Å; V355-Y357 VanDerWaalsContact O-CE2 3.27Å; V355-Y357 WeakPolarHBondContact O-CE2 3.32Å; V355-Y357 PolarHBondContact O-N 2.56Å; Y357-Q359 PolarHBondContact O-N 3.35Å
358	D	59	Low	69.6	Low	122 Å²	122	90.3 Å²	90.3	65%	0.652	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.3	176.6	-66.3	-19.6	0	0	0	111.6	D356	D356-D358 PolarHBondContact O-N 2.87Å; D356-D358 PolarHBondContact OD1-N 2.99Å; D356-D358 VanDerWaalsContact OD1-N 3.11Å
359	Q	57	Low	69.9	Low	137 Å²	137	96 Å²	96	64%	0.64	50%	0.496	S	S	*	.	S	Bend	trans	-65	137.2	174.2	-72.3	-171	5.7	0	0	111.2	D356 Y357 Q361	D356-Q359 HydrophobicContact CB-CG 3.95Å; D356-Q359 PolarHBondContact O-N 2.93Å; Y357-Q359 PolarHBondContact O-N 3.35Å; Q359-Q361 PolarHBondContact O-N 3.22Å
360	M	54.2	Low	70.6	Confident	185 Å²	185	99.6 Å²	99.6	91%	0.911	51%	0.514	S	S	*	.			trans	-55.1	115.4	179.7	-168.7	177.3	-74.9	0	0	109.9	I362	M360-I362 PolarHBondContact O-N 2.81Å
361	Q	61	Low	71.3	Confident	179 Å²	179	108.9 Å²	108.9	84%	0.836	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-63.1	128.1	174	-68.1	-171.1	-11.4	0	0	109.2	Q359 K363	Q359-Q361 PolarHBondContact O-N 3.22Å; Q361-K363 PolarHBondContact O-N 3.38Å
362	I	69.8	Low	72	Confident	165 Å²	165	111.8 Å²	111.8	85%	0.846	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-62.6	121.2	175.9	-57	179.1	0	0	0	107.2	M360	M360-I362 PolarHBondContact O-N 2.81Å
363	K	73.9	Confident	72.7	Confident	144 Å²	144	108.7 Å²	108.7	63%	0.626	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-57.1	147.1	175.4	-65.3	-177.7	-178.9	-177.3	0	109.6	Q361 D367 S368	Q361-K363 PolarHBondContact O-N 3.38Å; K363-D367 HydrophobicContact CB-CB 4.34Å; K363-S368 PolarHBondContact O-OG 3.29Å
364	N	76.2	Confident	73.5	Confident	118 Å²	118	111.9 Å²	111.9	63%	0.631	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-49.4	147.2	167.4	-73.7	-43.7	0	0	0	110.3	S366 D367 S368	N364-S366 PolarHBondContact O-N 3.37Å; N364-S366 VanDerWaalsContact O-N 3.11Å; N364-D367 CarbonylContact O-C 3.57Å; N364-D367 PolarHBondContact O-N 2.84Å; N364-S368 PolarHBondContact O-N 2.98Å; N364-S368 PolarHBondContact O-OG 2.77Å; N364-S368 VanDerWaalsContact O-OG 3.09Å
365	L	75.7	Confident	74.3	Confident	123 Å²	123	118.4 Å²	118.4	64%	0.644	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-27.2	-176	-169.6	68.7	0	0	0	112.5	D367 L373	L365-D367 VanDerWaalsContact C-N 3.34Å; L365-L373 HydrophobicContact CD1-CD1 3.71Å; L365-L373 HydrophobicContact CD1-CD2 3.9Å; L365-L373 HydrophobicContact CD1-CG 4.49Å; L365-L373 HydrophobicContact CG-CD1 4.39Å
366	S	80.5	Confident	75.2	Confident	89 Å²	89	123 Å²	123	62%	0.622	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-41.2	172.3	52.7	0	0	0	0	112.5	N364	N364-S366 PolarHBondContact O-N 3.37Å; N364-S366 VanDerWaalsContact O-N 3.11Å
367	D	81.4	Confident	76.3	Confident	98 Å²	98	123.6 Å²	123.6	52%	0.524	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.8	-12.9	-172.3	-48.3	-28.9	0	0	0	111.8	K363 N364 L365	K363-D367 HydrophobicContact CB-CB 4.34Å; N364-D367 CarbonylContact O-C 3.57Å; N364-D367 PolarHBondContact O-N 2.84Å; L365-D367 VanDerWaalsContact C-N 3.34Å
368	S	78.3	Confident	77.5	Confident	20 Å²	20	126.5 Å²	126.5	14%	0.14	61%	0.609	C	S	.	*			trans	-69.3	127.9	174	-73.8	0	0	0	0	110.7	K363 N364 L373	K363-S368 PolarHBondContact O-OG 3.29Å; N364-S368 PolarHBondContact O-N 2.98Å; N364-S368 PolarHBondContact O-OG 2.77Å; N364-S368 VanDerWaalsContact O-OG 3.09Å; S368-L373 VanDerWaalsContact O-CD2 3.24Å; S368-L373 WeakPolarHBondContact O-CD2 3.31Å
369	K	79.7	Confident	78.8	Confident	180 Å²	180	126.8 Å²	126.8	78%	0.783	60%	0.604	S	S	*	*			trans	-125.3	116.1	169.1	-69	-174.9	-179.8	-178.5	0	108.7
370	N	87.3	Confident	80.1	Confident	83 Å²	83	125.1 Å²	125.1	44%	0.444	60%	0.599	S	S	.	*			trans	-146.9	156.1	169.3	74	57	0	0	0	109.8	L372 L373 E374	N370-L372 PolarHBondContact O-N 3.08Å; N370-L372 WeakPolarHBondContact OD1-CA 3.21Å; N370-L372 WeakPolarHBondContact OD1-CB 3.24Å; N370-L372 PolarHBondContact OD1-N 2.91Å; N370-L372 VanDerWaalsContact OD1-N 3.07Å; N370-L373 PolarHBondContact O-N 3.19Å; N370-L373 VanDerWaalsContact O-N 3.13Å; N370-L373 WeakPolarHBondContact OD1-CB 3.49Å; N370-L373 PolarHBondContact OD1-N 2.89Å; N370-E374 PolarHBondContact O-N 2.9Å
371	K	87	Confident	81.4	Confident	198 Å²	198	121.6 Å²	121.6	86%	0.861	58%	0.583	S	S	*	*	H	α-helix	trans	-55.1	-37	-174.7	-70.2	-176.3	176.6	179.4	0	113	K375	K371-K375 WeakPolarHBondContact O-CB 3.12Å; K371-K375 PolarHBondContact O-N 2.86Å
372	L	87.2	Confident	82.4	Confident	114 Å²	114	117.3 Å²	117.3	60%	0.597	57%	0.566	S	S	*	*	H	α-helix	trans	-70.7	-45.4	179.5	-178.4	62.8	0	0	0	111.5	N370 E374 K375 R376	N370-L372 PolarHBondContact O-N 3.08Å; N370-L372 WeakPolarHBondContact OD1-CA 3.21Å; N370-L372 WeakPolarHBondContact OD1-CB 3.24Å; N370-L372 PolarHBondContact OD1-N 2.91Å; N370-L372 VanDerWaalsContact OD1-N 3.07Å; L372-E374 VanDerWaalsContact C-N 3.35Å; L372-K375 PolarHBondContact O-N 3.35Å; L372-R376 VanDerWaalsContact O-CG 3.3Å; L372-R376 WeakPolarHBondContact O-CG 3.47Å; L372-R376 PolarHBondContact O-N 2.79Å
373	L	85.8	Confident	82.9	Confident	30 Å²	30	115.8 Å²	115.8	16%	0.157	56%	0.559	C	S	.	*	H	α-helix	trans	-63.4	-41.1	178.2	-174.1	65.2	0	0	0	110.9	L365 S368 N370 R376 K377	L365-L373 HydrophobicContact CD1-CD1 3.71Å; L365-L373 HydrophobicContact CD1-CD2 3.9Å; L365-L373 HydrophobicContact CD1-CG 4.49Å; L365-L373 HydrophobicContact CG-CD1 4.39Å; S368-L373 VanDerWaalsContact O-CD2 3.24Å; S368-L373 WeakPolarHBondContact O-CD2 3.31Å; N370-L373 PolarHBondContact O-N 3.19Å; N370-L373 VanDerWaalsContact O-N 3.13Å; N370-L373 WeakPolarHBondContact OD1-CB 3.49Å; N370-L373 PolarHBondContact OD1-N 2.89Å; L373-R376 PolarHBondContact O-N 3.43Å; L373-K377 HydrophobicContact CG-CD 4.31Å; L373-K377 WeakPolarHBondContact O-CB 3.33Å; L373-K377 WeakPolarHBondContact O-CG 3.35Å; L373-K377 PolarHBondContact O-N 2.81Å
374	E	85.8	Confident	83	Confident	114 Å²	114	117.4 Å²	117.4	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-43.1	174.8	-69.8	-158.3	163.2	0	0	112.3	N370 L372 R376 K377 K378	N370-E374 PolarHBondContact O-N 2.9Å; L372-E374 VanDerWaalsContact C-N 3.35Å; E374-R376 PolarHBondContact O-N 3.4Å; E374-K377 PolarHBondContact O-N 3.04Å; E374-K378 WeakPolarHBondContact O-CB 3.33Å; E374-K378 PolarHBondContact O-N 3.36Å
375	K	88.2	Confident	82.3	Confident	163 Å²	163	120.9 Å²	120.9	71%	0.709	58%	0.581	S	S	*	*	H	α-helix	trans	-59.1	-37.9	174.7	-170.1	175.8	-178.3	177.2	0	111.7	K371 L372 K379	K371-K375 WeakPolarHBondContact O-CB 3.12Å; K371-K375 PolarHBondContact O-N 2.86Å; L372-K375 PolarHBondContact O-N 3.35Å; K375-K379 WeakPolarHBondContact O-CB 3.46Å; K375-K379 PolarHBondContact O-N 3.42Å; K375-K379 VanDerWaalsContact O-N 3.13Å
376	R	87.7	Confident	82.7	Confident	160 Å²	160	120.8 Å²	120.8	60%	0.604	58%	0.577	S	S	*	*	H	α-helix	trans	-73.8	-42.6	176.5	-68	-70.2	180	174.7	0.3	112.4	L372 L373 E374 K378 K379 L380	L372-R376 VanDerWaalsContact O-CG 3.3Å; L372-R376 WeakPolarHBondContact O-CG 3.47Å; L372-R376 PolarHBondContact O-N 2.79Å; L373-R376 PolarHBondContact O-N 3.43Å; E374-R376 PolarHBondContact O-N 3.4Å; R376-K378 VanDerWaalsContact C-N 3.34Å; R376-K378 PolarHBondContact O-N 2.87Å; R376-K379 PolarHBondContact O-N 2.89Å; R376-L380 WeakPolarHBondContact O-CB 3.33Å; R376-L380 PolarHBondContact O-N 3.04Å
377	K	86.9	Confident	82.8	Confident	94 Å²	94	122.4 Å²	122.4	41%	0.409	58%	0.575	S	S	.	*	H	α-helix	trans	-59.7	-44.1	174.3	-77.4	179	178.3	177.4	0	111	L373 E374 L380 L381	L373-K377 HydrophobicContact CG-CD 4.31Å; L373-K377 WeakPolarHBondContact O-CB 3.33Å; L373-K377 WeakPolarHBondContact O-CG 3.35Å; L373-K377 PolarHBondContact O-N 2.81Å; E374-K377 PolarHBondContact O-N 3.04Å; K377-L380 PolarHBondContact O-N 3.22Å; K377-L381 WeakPolarHBondContact O-CD1 3.34Å; K377-L381 PolarHBondContact O-N 3.07Å
378	K	84.8	Confident	82.9	Confident	141 Å²	141	123.8 Å²	123.8	61%	0.613	58%	0.578	S	S	*	*	H	α-helix	trans	-60.6	-50	175.6	-171.9	175.8	179.9	177.6	0	111.7	E374 R376 L380 L381 D382	E374-K378 WeakPolarHBondContact O-CB 3.33Å; E374-K378 PolarHBondContact O-N 3.36Å; R376-K378 VanDerWaalsContact C-N 3.34Å; R376-K378 PolarHBondContact O-N 2.87Å; K378-L380 PolarHBondContact O-N 3.49Å; K378-L381 WeakPolarHBondContact O-CB 3.23Å; K378-L381 PolarHBondContact O-N 3.34Å; K378-D382 PolarHBondContact O-N 3.04Å
379	K	87	Confident	83.1	Confident	127 Å²	127	129.9 Å²	129.9	55%	0.552	60%	0.604	S	S	*	*	H	α-helix	trans	-58.6	-33.2	177	-164.9	176.2	-176.1	-178.8	0	112.5	K375 R376 L383	K375-K379 WeakPolarHBondContact O-CB 3.46Å; K375-K379 PolarHBondContact O-N 3.42Å; K375-K379 VanDerWaalsContact O-N 3.13Å; R376-K379 PolarHBondContact O-N 2.89Å; K379-L383 HydrophobicContact CG-CD1 4.43Å; K379-L383 WeakPolarHBondContact O-CD1 2.96Å; K379-L383 PolarHBondContact O-N 3.17Å
380	L	83.3	Confident	83.3	Confident	102 Å²	102	126.8 Å²	126.8	53%	0.534	59%	0.593	S	S	.	*	H	α-helix	trans	-77	-29.9	179	-147	137	0	0	0	112.7	R376 K377 K378 K384	R376-L380 WeakPolarHBondContact O-CB 3.33Å; R376-L380 PolarHBondContact O-N 3.04Å; K377-L380 PolarHBondContact O-N 3.22Å; K378-L380 PolarHBondContact O-N 3.49Å; L380-K384 WeakPolarHBondContact O-CG 3.42Å; L380-K384 PolarHBondContact O-N 3.47Å
381	L	81	Confident	83.1	Confident	111 Å²	111	129.7 Å²	129.7	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-68.8	-43.4	167.4	-98.7	113.4	0	0	0	111.3	K377 K378 L383 K384 M385	K377-L381 WeakPolarHBondContact O-CD1 3.34Å; K377-L381 PolarHBondContact O-N 3.07Å; K378-L381 WeakPolarHBondContact O-CB 3.23Å; K378-L381 PolarHBondContact O-N 3.34Å; L381-L383 PolarHBondContact O-N 3.14Å; L381-K384 PolarHBondContact O-N 3.01Å; L381-M385 PolarHBondContact O-N 2.73Å; L381-M385 VanDerWaalsContact O-N 3.15Å
382	D	83	Confident	82.8	Confident	89 Å²	89	124.8 Å²	124.8	48%	0.476	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	178.1	-60	-21.8	0	0	0	112.9	K378	K378-D382 PolarHBondContact O-N 3.04Å
383	L	79.6	Confident	82.5	Confident	134 Å²	134	125.6 Å²	125.6	70%	0.702	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-14.2	174.2	-91.1	153.2	0	0	0	113.4	K379 L381	K379-L383 HydrophobicContact CG-CD1 4.43Å; K379-L383 WeakPolarHBondContact O-CD1 2.96Å; K379-L383 PolarHBondContact O-N 3.17Å; L381-L383 PolarHBondContact O-N 3.14Å
384	K	77.1	Confident	82.2	Confident	177 Å²	177	133.6 Å²	133.6	77%	0.77	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-15.2	179.5	-76	-174.3	175.5	-170.9	0	113	L380 L381	L380-K384 WeakPolarHBondContact O-CG 3.42Å; L380-K384 PolarHBondContact O-N 3.47Å; L381-K384 PolarHBondContact O-N 3.01Å
385	M	61.9	Low	81.9	Confident	191 Å²	191	135.4 Å²	135.4	94%	0.941	63%	0.626	S	S	*	*			trans	-89	0	163.5	-65.9	-166.2	-68.9	0	0	109.1	L381	L381-M385 PolarHBondContact O-N 2.73Å; L381-M385 VanDerWaalsContact O-N 3.15Å

Retrieved 385 of 385 residues in 313.6 ms (Link to these results)

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