A0A087XFY8_POEFO Loading...

Solute carrier organic anion transporter family member

AlphaFold DB , UniProt , Accession A0A087XFY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 702 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	29.8	Very low	244 Å²	244	172.1 Å²	172.1	100%	1.202	87%	0.874	S	S	*	*				0	60.9	0	-142	174.4	-167.4	0	0	105.5
2	E	33.2	Very low	29.6	Very low	185 Å²	185	173.3 Å²	173.3	86%	0.864	87%	0.874	S	S	*	*			trans	-88.8	162.1	171.3	-84.1	147	128.5	0	0	107.2
3	D	28	Very low	29.6	Very low	147 Å²	147	172.2 Å²	172.2	79%	0.786	87%	0.873	S	S	*	*			trans	79.4	65.4	-171.3	-72.6	-10.9	0	0	0	117.8
4	R	26.3	Very low	29.4	Very low	250 Å²	250	165.4 Å²	165.4	94%	0.943	87%	0.866	S	S	*	*			trans	-151.5	30	153.2	-127	180	-159.9	-175.2	5.4	115.7
5	S	30.3	Very low	29.4	Very low	119 Å²	119	170.7 Å²	170.7	83%	0.832	87%	0.87	S	S	*	*	S	Bend	trans	-120.4	14	178.5	55.4	0	0	0	0	114.3
6	E	31.7	Very low	29.3	Very low	172 Å²	172	166.4 Å²	166.4	80%	0.804	86%	0.86	S	S	*	*			trans	-122.7	71.7	173.8	-77.6	-172.5	133	0	0	109.9
7	E	30.7	Very low	29.1	Very low	180 Å²	180	165.8 Å²	165.8	84%	0.841	86%	0.859	S	S	*	*			trans	-161.4	92	163.1	-113.3	167.1	-164.5	0	0	107.7
8	D	29.7	Very low	29.7	Very low	153 Å²	153	166.9 Å²	166.9	82%	0.818	86%	0.86	S	S	*	*			trans	168.6	80.5	139.1	-86.4	-19.4	0	0	0	110.1
9	C	26.9	Very low	29.7	Very low	129 Å²	129	165.3 Å²	165.3	87%	0.872	86%	0.858	S	S	*	*			trans	-142.2	85.7	155.3	-88.9	0	0	0	0	107.1	Q11	C9-Q11 PolarHBondContact O-N 3.3Å
10	V	27	Very low	29.8	Very low	136 Å²	136	165.4 Å²	165.4	82%	0.824	86%	0.86	S	S	*	*			trans	-63	120.4	171.7	175.3	0	0	0	0	108.6
11	Q	28.8	Very low	29.8	Very low	178 Å²	178	163.2 Å²	163.2	83%	0.832	86%	0.859	S	S	*	*			trans	-97.2	100.1	178.7	-163.5	169.6	5.6	0	0	107.8	C9	C9-Q11 PolarHBondContact O-N 3.3Å
12	E	27.1	Very low	29.6	Very low	187 Å²	187	160.8 Å²	160.8	87%	0.874	84%	0.842	S	S	*	*			trans	-92.2	111.5	170.3	-118.7	-176.2	168.4	0	0	109.6
13	N	30.3	Very low	29.7	Very low	159 Å²	159	158 Å²	158	85%	0.85	84%	0.84	S	S	*	*			trans	-71.2	121.2	171.2	-93.4	-23.3	0	0	0	110.3
14	G	26.7	Very low	30.2	Very low	76 Å²	76	156.5 Å²	156.5	78%	0.784	84%	0.84	S	S	*	*			trans	-139.5	119.2	165.4	0	0	0	0	0	110.3
15	R	29.4	Very low	31.1	Very low	246 Å²	246	147.1 Å²	147.1	93%	0.928	82%	0.822	S	S	*	*			trans	-81.3	161.9	-176.6	-173.4	172.7	-178.4	165	0.8	112
16	S	27.5	Very low	32.2	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	80%	0.803	S	S	*	*			trans	89.5	133.4	177	69.5	0	0	0	0	114.9
17	D	26.7	Very low	33.4	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	78%	0.781	S	S	*	*			cis	-153	162.6	-2.9	-98	-29.3	0	0	0	107.9
18	E	39	Very low	34.8	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	77%	0.765	S	S	*	*			trans	-52.2	131.8	-175.7	-67.9	173.8	132.2	0	0	115
19	T	30.8	Very low	36.8	Very low	136 Å²	136	130 Å²	130	83%	0.834	75%	0.748	S	S	*	*			trans	-173.1	125.4	139.2	17.5	0	0	0	0	112.7
20	N	30.4	Very low	39.2	Very low	166 Å²	166	125.2 Å²	125.2	89%	0.888	72%	0.716	S	S	*	*			trans	38.9	87.4	160.5	-86.1	-20	0	0	0	119	K22	N20-K22 PolarHBondContact O-N 3.4Å
21	S	30	Very low	41.8	Very low	121 Å²	121	119.5 Å²	119.5	85%	0.846	68%	0.68	S	S	*	*			trans	-76.6	105.3	168.4	58.4	0	0	0	0	112.4
22	K	30.7	Very low	44.5	Very low	192 Å²	192	116.8 Å²	116.8	84%	0.835	67%	0.666	S	S	*	*			trans	-78	134.4	142.3	-86.8	-178.9	177.7	175.6	0	107.1	N20 S24	N20-K22 PolarHBondContact O-N 3.4Å; K22-S24 VanDerWaalsContact C-N 3.33Å; K22-S24 PolarHBondContact O-N 3.2Å
23	P	34.7	Very low	47.4	Very low	128 Å²	128	112.7 Å²	112.7	83%	0.831	65%	0.648	S	S	*	*			trans	-73.9	91.6	176.2	30	-30.1	0	0	0	108.1	G25	P23-G25 PolarHBondContact O-N 2.88Å; P23-G25 VanDerWaalsContact O-N 3.16Å
24	S	39.6	Very low	50.3	Low	114 Å²	114	105.1 Å²	105.1	80%	0.797	61%	0.608	S	S	*	*			trans	-73	103.9	166.5	63.9	0	0	0	0	107.4	K22 S26	K22-S24 VanDerWaalsContact C-N 3.33Å; K22-S24 PolarHBondContact O-N 3.2Å; S24-S26 PolarHBondContact O-N 2.78Å
25	G	44.8	Very low	53.3	Low	53 Å²	53	102.4 Å²	102.4	55%	0.546	58%	0.575	S	S	.	*			trans	-51.4	140.7	172.8	0	0	0	0	0	110.7	P23	P23-G25 PolarHBondContact O-N 2.88Å; P23-G25 VanDerWaalsContact O-N 3.16Å
26	S	53.9	Low	56.3	Low	62 Å²	62	95.4 Å²	95.4	43%	0.434	56%	0.559	S	S	.	*			trans	-57.3	143.8	-176.5	66.2	0	0	0	0	111.3	S24 C28 T29 S30	S24-S26 PolarHBondContact O-N 2.78Å; S26-C28 PolarHBondContact O-N 2.94Å; S26-C28 VanDerWaalsContact O-N 3.13Å; S26-T29 WeakPolarHBondContact O-CB 3.5Å; S26-T29 PolarHBondContact O-N 2.91Å; S26-T29 PolarHBondContact OG-OG1 2.91Å; S26-S30 PolarHBondContact O-N 2.87Å
27	P	57.3	Low	59.5	Low	54 Å²	54	90.8 Å²	90.8	35%	0.351	53%	0.527	S	S	.	.	H	α-helix	trans	-54.3	-35.1	-178.3	-25.4	32.2	0	0	0	113.4	T29 S30 L31	P27-T29 VanDerWaalsContact C-N 3.35Å; P27-T29 PolarHBondContact O-N 3.49Å; P27-S30 PolarHBondContact O-N 3.06Å; P27-L31 PolarHBondContact O-N 2.89Å
28	C	59	Low	62.7	Low	74 Å²	74	83.3 Å²	83.3	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-34	178.1	-164.7	0	0	0	0	112.7	S26 K32	S26-C28 PolarHBondContact O-N 2.94Å; S26-C28 VanDerWaalsContact O-N 3.13Å; C28-K32 WeakPolarHBondContact O-CG 3.36Å; C28-K32 PolarHBondContact O-N 3.16Å
29	T	71	Confident	65.3	Low	75 Å²	75	75 Å²	75	46%	0.46	45%	0.45	S	S	.	.	H	α-helix	trans	-67.5	-39.4	177.2	-54.4	0	0	0	0	110.9	S26 P27 K32 M33	S26-T29 WeakPolarHBondContact O-CB 3.5Å; S26-T29 PolarHBondContact O-N 2.91Å; S26-T29 PolarHBondContact OG-OG1 2.91Å; P27-T29 VanDerWaalsContact C-N 3.35Å; P27-T29 PolarHBondContact O-N 3.49Å; T29-K32 PolarHBondContact O-N 2.93Å; T29-M33 VanDerWaalsContact O-CG 3.27Å; T29-M33 WeakPolarHBondContact O-CG 3.42Å; T29-M33 PolarHBondContact O-N 3.03Å
30	S	77.6	Confident	68.4	Low	29 Å²	29	72.1 Å²	72.1	20%	0.203	43%	0.425	C	S	.	.	H	α-helix	trans	-71.7	-34.6	-177.7	-63.9	0	0	0	0	113	S26 P27 F34	S26-S30 PolarHBondContact O-N 2.87Å; P27-S30 PolarHBondContact O-N 3.06Å; S30-F34 PolarHBondContact O-N 2.92Å
31	L	82.2	Confident	71.6	Confident	15 Å²	15	64.2 Å²	64.2	8%	0.079	38%	0.383	C	S	.	.	H	α-helix	trans	-67.3	-44.6	172.4	-176.6	62.3	0	0	0	111.9	P27 M33 F34 L35 F201 A202 Y210 L285	P27-L31 PolarHBondContact O-N 2.89Å; L31-M33 VanDerWaalsContact C-N 3.29Å; L31-M33 PolarHBondContact O-N 3.21Å; L31-F34 WeakPolarHBondContact O-CB 3.4Å; L31-F34 PolarHBondContact O-N 3.25Å; L31-F34 VanDerWaalsContact O-N 3.15Å; L31-L35 HydrophobicContact CG-CD1 4.5Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 2.81Å; L31-F201 HydrophobicContact CD1-CB 3.98Å; L31-A202 HydrophobicContact CD2-CB 4.32Å; L31-Y210 HydrophobicContact CD2-CE2 4.16Å; L31-L285 HydrophobicContact CB-CD1 3.81Å; L31-L285 HydrophobicContact CD1-CD1 4.07Å; L31-L285 HydrophobicContact CG-CD1 4.48Å
32	K	85.6	Confident	74.7	Confident	121 Å²	121	58.4 Å²	58.4	53%	0.526	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-41.6	175.8	-72.3	176.7	-178.6	179.3	0	111.6	C28 T29 L35 V36	C28-K32 WeakPolarHBondContact O-CG 3.36Å; C28-K32 PolarHBondContact O-N 3.16Å; T29-K32 PolarHBondContact O-N 2.93Å; K32-L35 PolarHBondContact O-N 3.29Å; K32-V36 WeakPolarHBondContact O-CG2 3.12Å; K32-V36 PolarHBondContact O-N 2.84Å
33	M	88	Confident	77.8	Confident	102 Å²	102	51.1 Å²	51.1	50%	0.502	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-40.7	175	-72.1	-61.2	-67.8	0	0	112.5	T29 L31 S37 L281	T29-M33 VanDerWaalsContact O-CG 3.27Å; T29-M33 WeakPolarHBondContact O-CG 3.42Å; T29-M33 PolarHBondContact O-N 3.03Å; L31-M33 VanDerWaalsContact C-N 3.29Å; L31-M33 PolarHBondContact O-N 3.21Å; M33-S37 WeakPolarHBondContact O-CB 3.49Å; M33-S37 PolarHBondContact O-N 3.17Å; M33-S37 PolarHBondContact O-OG 3.19Å; M33-L281 HydrophobicContact CB-CD2 4.12Å
34	F	91	Very high	80.7	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-44.2	173.5	-177.2	-89.9	0	0	0	111.8	S30 L31 S37 L38 P98 I101 Y197 I198 F278 L281	S30-F34 PolarHBondContact O-N 2.92Å; L31-F34 WeakPolarHBondContact O-CB 3.4Å; L31-F34 PolarHBondContact O-N 3.25Å; L31-F34 VanDerWaalsContact O-N 3.15Å; F34-S37 PolarHBondContact O-N 3.2Å; F34-L38 HydrophobicContact CE1-CB 4.3Å; F34-L38 HydrophobicContact CE1-CD2 4.04Å; F34-L38 WeakPolarHBondContact O-CB 2.88Å; F34-L38 PolarHBondContact O-N 2.96Å; F34-P98 HydrophobicContact CD2-CG 4.3Å; F34-P98 HydrophobicContact CE2-CB 4.4Å; F34-P98 HydrophobicContact CE2-CG 4.04Å; F34-I101 HydrophobicContact CE2-CD1 4.17Å; F34-I101 HydrophobicContact CZ-CD1 3.96Å; F34-Y197 HydrophobicContact CB-CD1 4.42Å; F34-Y197 HydrophobicContact CB-CE1 4.03Å; F34-Y197 AromaticContact CD1-CD1 3.44Å; F34-Y197 HydrophobicContact CD1-CD1 3.44Å; F34-Y197 VanDerWaalsContact CD1-CD1 3.44Å; F34-Y197 AromaticContact CD1-CE1 3.94Å; F34-Y197 HydrophobicContact CD1-CE1 3.94Å; F34-Y197 HydrophobicContact CD1-CG 4.36Å; F34-Y197 AromaticContact CD2-CD1 3.58Å; F34-Y197 HydrophobicContact CD2-CD1 3.58Å; F34-Y197 AromaticContact CD2-CE1 3.55Å; F34-Y197 HydrophobicContact CD2-CE1 3.55Å; F34-Y197 HydrophobicContact CD2-CG 4.23Å; F34-Y197 AromaticContact CE1-CD1 3.42Å; F34-Y197 HydrophobicContact CE1-CD1 3.42Å; F34-Y197 VanDerWaalsContact CE1-CD1 3.42Å; F34-Y197 HydrophobicContact CE1-CE1 4.3Å; F34-Y197 AromaticContact CE1-CG 3.9Å; F34-Y197 HydrophobicContact CE1-CG 3.9Å; F34-Y197 AromaticContact CE2-CD1 3.58Å; F34-Y197 HydrophobicContact CE2-CD1 3.58Å; F34-Y197 HydrophobicContact CE2-CD2 4.33Å; F34-Y197 AromaticContact CE2-CE1 3.97Å; F34-Y197 HydrophobicContact CE2-CE1 3.97Å; F34-Y197 AromaticContact CE2-CG 3.78Å; F34-Y197 HydrophobicContact CE2-CG 3.78Å; F34-Y197 AromaticContact CG-CD1 3.53Å; F34-Y197 HydrophobicContact CG-CD1 3.53Å; F34-Y197 AromaticContact CG-CE1 3.55Å; F34-Y197 HydrophobicContact CG-CE1 3.55Å; F34-Y197 AromaticContact CZ-CD1 3.49Å; F34-Y197 HydrophobicContact CZ-CD1 3.49Å; F34-Y197 VanDerWaalsContact CZ-CD1 3.49Å; F34-Y197 HydrophobicContact CZ-CD2 4.49Å; F34-Y197 HydrophobicContact CZ-CE1 4.32Å; F34-Y197 AromaticContact CZ-CG 3.59Å; F34-Y197 HydrophobicContact CZ-CG 3.59Å; F34-I198 HydrophobicContact CD1-CG1 4.28Å; F34-I198 HydrophobicContact CE1-CG1 4.01Å; F34-F278 HydrophobicContact CD2-CD1 4.32Å; F34-F278 HydrophobicContact CD2-CE1 4.17Å; F34-F278 HydrophobicContact CE2-CD1 4.1Å; F34-F278 AromaticContact CE2-CE1 3.86Å; F34-F278 HydrophobicContact CE2-CE1 3.86Å; F34-F278 HydrophobicContact CZ-CE1 4.4Å; F34-L281 HydrophobicContact CB-CD1 3.97Å; F34-L281 HydrophobicContact CD2-CD1 3.66Å; F34-L281 HydrophobicContact CG-CD1 4.27Å
35	L	90.8	Very high	83.3	Confident	19 Å²	19	40.5 Å²	40.5	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-48.9	178.1	-70.4	172.3	0	0	0	112.1	L31 K32 S37 L38 S39 I198 Y210	L31-L35 HydrophobicContact CG-CD1 4.5Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 2.81Å; K32-L35 PolarHBondContact O-N 3.29Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.46Å; L35-L38 PolarHBondContact O-N 3.17Å; L35-S39 WeakPolarHBondContact O-CB 3.49Å; L35-S39 PolarHBondContact O-N 3.21Å; L35-S39 PolarHBondContact O-OG 2.95Å; L35-I198 HydrophobicContact CD2-CD1 3.46Å; L35-I198 VanDerWaalsContact CD2-CD1 3.46Å; L35-I198 HydrophobicContact CD2-CG1 3.63Å; L35-I198 HydrophobicContact CD2-CG2 4.34Å; L35-Y210 HydrophobicContact CD1-CD1 3.63Å; L35-Y210 HydrophobicContact CD1-CD2 3.71Å; L35-Y210 HydrophobicContact CD1-CE1 3.84Å; L35-Y210 HydrophobicContact CD1-CE2 3.9Å; L35-Y210 HydrophobicContact CD1-CG 3.58Å; L35-Y210 HydrophobicContact CD2-CD2 4.3Å; L35-Y210 HydrophobicContact CD2-CG 4Å; L35-Y210 HydrophobicContact CG-CG 4.46Å
36	V	92.4	Very high	85.6	Confident	98 Å²	98	38.8 Å²	38.8	59%	0.594	22%	0.218	S	C	*	.	H	α-helix	trans	-60	-43.3	177	172.9	0	0	0	0	110.8	K32 S39 F40	K32-V36 WeakPolarHBondContact O-CG2 3.12Å; K32-V36 PolarHBondContact O-N 2.84Å; V36-S39 PolarHBondContact O-N 3.13Å; V36-F40 WeakPolarHBondContact O-CB 3.48Å; V36-F40 PolarHBondContact O-N 3.43Å
37	S	93.9	Very high	87.7	Confident	5 Å²	5	36.1 Å²	36.1	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-44.1	178.7	-54.5	0	0	0	0	111.8	M33 F34 L35 F40 A41 P277 F278	M33-S37 WeakPolarHBondContact O-CB 3.49Å; M33-S37 PolarHBondContact O-N 3.17Å; M33-S37 PolarHBondContact O-OG 3.19Å; F34-S37 PolarHBondContact O-N 3.2Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 3.2Å; S37-A41 PolarHBondContact O-N 3.19Å; S37-P277 WeakPolarHBondContact OG-CB 3.34Å; S37-F278 VanDerWaalsContact C-CZ 3.49Å
38	L	94.3	Very high	89.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-44.4	177.6	-168.4	69.5	0	0	0	111.8	F34 L35 F40 A41 Y42 V190 I198 V214 F278	F34-L38 HydrophobicContact CE1-CB 4.3Å; F34-L38 HydrophobicContact CE1-CD2 4.04Å; F34-L38 WeakPolarHBondContact O-CB 2.88Å; F34-L38 PolarHBondContact O-N 2.96Å; L35-L38 PolarHBondContact O-N 3.17Å; L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 PolarHBondContact O-N 2.9Å; L38-A41 PolarHBondContact O-N 3.03Å; L38-Y42 HydrophobicContact CD1-CD2 4.12Å; L38-Y42 HydrophobicContact CD1-CE2 3.9Å; L38-Y42 HydrophobicContact CD2-CE2 4.22Å; L38-Y42 HydrophobicContact CG-CD2 3.93Å; L38-Y42 HydrophobicContact CG-CE2 3.86Å; L38-Y42 WeakPolarHBondContact O-CD2 3.17Å; L38-Y42 PolarHBondContact O-N 3.41Å; L38-V190 HydrophobicContact CD1-CG1 4.23Å; L38-I198 HydrophobicContact CD2-CD1 3.6Å; L38-I198 HydrophobicContact CD2-CG1 4.35Å; L38-V214 HydrophobicContact CD2-CG1 4.21Å; L38-V214 HydrophobicContact CD2-CG2 4.29Å; L38-V214 HydrophobicContact CG-CG1 4.27Å; L38-F278 HydrophobicContact CB-CZ 4.41Å; L38-F278 HydrophobicContact CD1-CZ 4.3Å
39	S	94.3	Very high	91.2	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-42.5	173.6	-73	0	0	0	0	112.2	L35 V36 Y42 F43 V214 I217	L35-S39 WeakPolarHBondContact O-CB 3.49Å; L35-S39 PolarHBondContact O-N 3.21Å; L35-S39 PolarHBondContact O-OG 2.95Å; V36-S39 PolarHBondContact O-N 3.13Å; S39-Y42 PolarHBondContact O-N 3.33Å; S39-F43 WeakPolarHBondContact O-CB 3.37Å; S39-F43 PolarHBondContact O-N 3.12Å; S39-V214 WeakPolarHBondContact OG-CG2 3.15Å; S39-I217 WeakPolarHBondContact O-CG2 3.3Å; S39-I217 WeakPolarHBondContact OG-CD1 3.28Å
40	F	95.6	Very high	92.3	Very high	74 Å²	74	27.6 Å²	27.6	33%	0.325	15%	0.147	S	C	.	.	H	α-helix	trans	-67	-38.9	177	-174.5	-127.5	0	0	0	112.5	V36 S37 L38 F43 A44 I270 L273	V36-F40 WeakPolarHBondContact O-CB 3.48Å; V36-F40 PolarHBondContact O-N 3.43Å; S37-F40 PolarHBondContact O-N 3.2Å; L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 PolarHBondContact O-N 2.9Å; F40-F43 HydrophobicContact CD2-CD1 4.21Å; F40-F43 HydrophobicContact CE2-CD1 4.2Å; F40-F43 WeakPolarHBondContact O-CB 3.31Å; F40-F43 PolarHBondContact O-N 3.39Å; F40-A44 WeakPolarHBondContact O-CB 3.35Å; F40-A44 PolarHBondContact O-N 3.06Å; F40-I270 HydrophobicContact CE2-CG2 4.23Å; F40-I270 HydrophobicContact CZ-CG2 4.08Å; F40-L273 HydrophobicContact CE1-CB 4.17Å; F40-L273 HydrophobicContact CZ-CB 4.5Å
41	A	95.9	Very high	93.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-39.4	173.1	0	0	0	0	0	112.7	S37 L38 A44 K45 V190 F278	S37-A41 PolarHBondContact O-N 3.19Å; L38-A41 PolarHBondContact O-N 3.03Å; A41-A44 PolarHBondContact O-N 3.08Å; A41-K45 WeakPolarHBondContact O-CB 3.39Å; A41-K45 PolarHBondContact O-N 2.86Å; A41-V190 HydrophobicContact CB-CG1 4.15Å; A41-F278 HydrophobicContact CB-CE2 4.03Å; A41-F278 HydrophobicContact CB-CZ 4.22Å
42	Y	95.1	Very high	93.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-41.3	174.3	-93.7	-106.6	0	0	0	112.3	L38 S39 K45 A46 V190 Q191 V214	L38-Y42 HydrophobicContact CD1-CD2 4.12Å; L38-Y42 HydrophobicContact CD1-CE2 3.9Å; L38-Y42 HydrophobicContact CD2-CE2 4.22Å; L38-Y42 HydrophobicContact CG-CD2 3.93Å; L38-Y42 HydrophobicContact CG-CE2 3.86Å; L38-Y42 WeakPolarHBondContact O-CD2 3.17Å; L38-Y42 PolarHBondContact O-N 3.41Å; S39-Y42 PolarHBondContact O-N 3.33Å; Y42-K45 WeakPolarHBondContact O-CG 3.41Å; Y42-A46 VanDerWaalsContact O-CB 3.25Å; Y42-A46 WeakPolarHBondContact O-CB 3.27Å; Y42-A46 PolarHBondContact O-N 2.94Å; Y42-A46 VanDerWaalsContact O-N 3.14Å; Y42-V190 HydrophobicContact CD2-CG1 3.99Å; Y42-V190 HydrophobicContact CE2-CG1 3.95Å; Y42-Q191 VanDerWaalsContact OH-CA 3.31Å; Y42-Q191 WeakPolarHBondContact OH-CA 3.17Å; Y42-Q191 WeakPolarHBondContact OH-CB 3.22Å; Y42-Q191 VanDerWaalsContact OH-CG 3.28Å; Y42-Q191 WeakPolarHBondContact OH-CG 3.46Å; Y42-V214 HydrophobicContact CD1-CG1 3.98Å; Y42-V214 HydrophobicContact CD2-CG1 3.58Å; Y42-V214 HydrophobicContact CE1-CG1 4.1Å; Y42-V214 HydrophobicContact CE2-CG1 3.73Å; Y42-V214 HydrophobicContact CG-CG1 3.67Å
43	F	95.8	Very high	94.3	Very high	39 Å²	39	22.1 Å²	22.1	17%	0.171	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-50.8	172	170.5	-96.8	0	0	0	111.1	S39 F40 A46 L47 I217 V220 F224 I270	S39-F43 WeakPolarHBondContact O-CB 3.37Å; S39-F43 PolarHBondContact O-N 3.12Å; F40-F43 HydrophobicContact CD2-CD1 4.21Å; F40-F43 HydrophobicContact CE2-CD1 4.2Å; F40-F43 WeakPolarHBondContact O-CB 3.31Å; F40-F43 PolarHBondContact O-N 3.39Å; F43-A46 PolarHBondContact O-N 3.2Å; F43-L47 HydrophobicContact CE1-CD1 3.86Å; F43-L47 HydrophobicContact CZ-CD1 3.73Å; F43-L47 WeakPolarHBondContact O-CB 3.39Å; F43-L47 PolarHBondContact O-N 2.94Å; F43-I217 HydrophobicContact CB-CG2 3.98Å; F43-V220 HydrophobicContact CD2-CG1 4.41Å; F43-V220 HydrophobicContact CE2-CG1 4.21Å; F43-F224 HydrophobicContact CE2-CB 4.24Å; F43-F224 AromaticContact CE2-CD2 3.69Å; F43-F224 HydrophobicContact CE2-CD2 3.69Å; F43-F224 HydrophobicContact CE2-CE2 4.29Å; F43-F224 HydrophobicContact CE2-CG 4.07Å; F43-F224 HydrophobicContact CZ-CB 4.14Å; F43-F224 HydrophobicContact CZ-CD2 4.11Å; F43-F224 HydrophobicContact CZ-CG 4.05Å; F43-I270 HydrophobicContact CE1-CG2 4.4Å
44	A	96.3	Very high	94.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-46.8	-177.8	0	0	0	0	0	112.4	F40 A41 A46 L47 S48 I270	F40-A44 WeakPolarHBondContact O-CB 3.35Å; F40-A44 PolarHBondContact O-N 3.06Å; A41-A44 PolarHBondContact O-N 3.08Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.06Å; A44-L47 PolarHBondContact O-N 3.24Å; A44-S48 WeakPolarHBondContact O-CB 3.5Å; A44-S48 PolarHBondContact O-N 3.08Å; A44-I270 HydrophobicContact CB-CG2 3.92Å
45	K	93.9	Very high	94.9	Very high	18 Å²	18	17.6 Å²	17.6	8%	0.078	10%	0.097	C	C	.	.	H	α-helix	trans	-62.5	-40.3	178.6	81.1	174.9	-169.3	143.1	0	111.9	A41 Y42 G49 M108 E187 V190	A41-K45 WeakPolarHBondContact O-CB 3.39Å; A41-K45 PolarHBondContact O-N 2.86Å; Y42-K45 WeakPolarHBondContact O-CG 3.41Å; K45-G49 PolarHBondContact O-N 3.01Å; K45-M108 HydrophobicContact CB-CE 3.68Å; K45-M108 HydrophobicContact CB-SD 3.82Å; K45-E187 HydrophobicContact CD-CG 3.86Å; K45-E187 IonicContact NZ-OE1 2.64Å; K45-E187 PolarHBondContact NZ-OE1 3.27Å; K45-V190 HydrophobicContact CD-CG1 4.49Å
46	A	94.4	Very high	95.1	Very high	17 Å²	17	17 Å²	17	14%	0.14	9%	0.094	C	C	.	.	H	α-helix	trans	-76.1	-34.8	-176	0	0	0	0	0	111.9	Y42 F43 A44 G49 S50 S218 P222	Y42-A46 VanDerWaalsContact O-CB 3.25Å; Y42-A46 WeakPolarHBondContact O-CB 3.27Å; Y42-A46 PolarHBondContact O-N 2.94Å; Y42-A46 VanDerWaalsContact O-N 3.14Å; F43-A46 PolarHBondContact O-N 3.2Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.06Å; A46-G49 PolarHBondContact O-N 3.21Å; A46-S50 PolarHBondContact O-N 3.43Å; A46-S50 PolarHBondContact O-OG 2.98Å; A46-S218 WeakPolarHBondContact CB-O 3.42Å; A46-P222 HydrophobicContact CB-CG 4.23Å
47	L	96.3	Very high	95.2	Very high	6 Å²	6	12.6 Å²	12.6	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-50.6	169.6	179.9	159.4	0	0	0	111.3	F43 A44 G49 S50 Y51 G221 F224 L228 A267 I270	F43-L47 HydrophobicContact CE1-CD1 3.86Å; F43-L47 HydrophobicContact CZ-CD1 3.73Å; F43-L47 WeakPolarHBondContact O-CB 3.39Å; F43-L47 PolarHBondContact O-N 2.94Å; A44-L47 PolarHBondContact O-N 3.24Å; L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.94Å; L47-S50 PolarHBondContact O-N 2.74Å; L47-S50 PolarHBondContact O-OG 3.47Å; L47-Y51 WeakPolarHBondContact O-CB 3.39Å; L47-Y51 PolarHBondContact O-N 3.06Å; L47-G221 WeakPolarHBondContact CA-O 3.38Å; L47-F224 HydrophobicContact CD1-CB 3.8Å; L47-F224 HydrophobicContact CG-CB 4.39Å; L47-L228 HydrophobicContact CD2-CD2 4.26Å; L47-A267 HydrophobicContact CD2-CB 3.75Å; L47-I270 HydrophobicContact CD1-CD1 4.2Å
48	S	96	Very high	95.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-41.2	178.3	179.2	0	0	0	0	111.6	A44 Y51 M52 R183	A44-S48 WeakPolarHBondContact O-CB 3.5Å; A44-S48 PolarHBondContact O-N 3.08Å; S48-Y51 PolarHBondContact O-N 3.34Å; S48-M52 PolarHBondContact O-N 3.28Å; S48-M52 VanDerWaalsContact O-N 3.12Å; S48-R183 WeakPolarHBondContact OG-CD 3.25Å
49	G	94.1	Very high	95.2	Very high	15 Å²	15	12.6 Å²	12.6	16%	0.155	7%	0.067	C	C	.	.	H	α-helix	trans	-63.9	-43.4	176.9	0	0	0	0	0	114.4	K45 A46 L47	K45-G49 PolarHBondContact O-N 3.01Å; A46-G49 PolarHBondContact O-N 3.21Å; L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.94Å
50	S	95.7	Very high	95.1	Very high	9 Å²	9	12.6 Å²	12.6	6%	0.063	7%	0.066	C	C	.	.	H	α-helix	trans	-74.6	-29.5	176.7	69.6	0	0	0	0	112.7	A46 L47 K53 S54 P222 G225	A46-S50 PolarHBondContact O-N 3.43Å; A46-S50 PolarHBondContact O-OG 2.98Å; L47-S50 PolarHBondContact O-N 2.74Å; L47-S50 PolarHBondContact O-OG 3.47Å; S50-K53 PolarHBondContact O-N 2.77Å; S50-S54 PolarHBondContact O-N 3.27Å; S50-P222 VanDerWaalsContact OG-CA 3.29Å; S50-P222 WeakPolarHBondContact OG-CA 3.39Å; S50-P222 PolarHBondContact OG-O 3.49Å; S50-P222 VanDerWaalsContact OG-O 3.06Å; S50-G225 WeakPolarHBondContact OG-CA 3.08Å
51	Y	97.3	Very high	94.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-44.5	173.3	-175	-105.2	0	0	0	111.4	L47 S48 K53 S54 T55 L228 C232 W260 G263 Y264	L47-Y51 WeakPolarHBondContact O-CB 3.39Å; L47-Y51 PolarHBondContact O-N 3.06Å; S48-Y51 PolarHBondContact O-N 3.34Å; Y51-K53 VanDerWaalsContact C-N 3.33Å; Y51-K53 PolarHBondContact O-N 3.02Å; Y51-S54 WeakPolarHBondContact O-CB 3.43Å; Y51-S54 PolarHBondContact O-N 3.45Å; Y51-S54 PolarHBondContact O-OG 3.17Å; Y51-T55 HydrophobicContact CD1-CG2 4.21Å; Y51-T55 HydrophobicContact CD2-CG2 4.45Å; Y51-T55 HydrophobicContact CE1-CG2 3.66Å; Y51-T55 HydrophobicContact CE2-CG2 3.96Å; Y51-T55 VanDerWaalsContact CZ-CG2 3.5Å; Y51-T55 WeakPolarHBondContact O-CG2 3.47Å; Y51-T55 PolarHBondContact O-N 3.15Å; Y51-T55 VanDerWaalsContact O-N 3.16Å; Y51-L228 HydrophobicContact CD2-CB 4.14Å; Y51-L228 HydrophobicContact CD2-CD2 4.07Å; Y51-L228 HydrophobicContact CD2-CG 3.94Å; Y51-L228 HydrophobicContact CE2-CB 4.44Å; Y51-L228 HydrophobicContact CE2-CD2 4.32Å; Y51-L228 HydrophobicContact CE2-CG 3.92Å; Y51-C232 HydrophobicContact CE2-CB 4.32Å; Y51-W260 WeakPolarHBondContact CE1-O 3.32Å; Y51-W260 VanDerWaalsContact OH-C 3.31Å; Y51-W260 WeakPolarHBondContact OH-CA 3.32Å; Y51-W260 PolarHBondContact OH-O 3.2Å; Y51-G263 VanDerWaalsContact OH-CA 3.24Å; Y51-G263 WeakPolarHBondContact OH-CA 3.49Å; Y51-G263 PolarHBondContact OH-N 3.04Å; Y51-Y264 AromaticContact CD1-CD1 3.79Å; Y51-Y264 HydrophobicContact CD1-CD1 3.79Å; Y51-Y264 HydrophobicContact CD1-CD2 4.36Å; Y51-Y264 AromaticContact CD1-CE1 3.74Å; Y51-Y264 HydrophobicContact CD1-CE1 3.74Å; Y51-Y264 HydrophobicContact CD1-CE2 4.29Å; Y51-Y264 HydrophobicContact CD1-CG 4.1Å; Y51-Y264 AromaticContact CD1-CZ 3.99Å; Y51-Y264 AromaticContact CE1-CD1 3.89Å; Y51-Y264 HydrophobicContact CE1-CD1 3.89Å; Y51-Y264 AromaticContact CE1-CD2 3.66Å; Y51-Y264 HydrophobicContact CE1-CD2 3.66Å; Y51-Y264 HydrophobicContact CE1-CE1 4.01Å; Y51-Y264 AromaticContact CE1-CE2 3.75Å; Y51-Y264 HydrophobicContact CE1-CE2 3.75Å; Y51-Y264 AromaticContact CE1-CG 3.7Å; Y51-Y264 HydrophobicContact CE1-CG 3.7Å; Y51-Y264 AromaticContact CE1-CZ 3.92Å; Y51-Y264 VanDerWaalsContact CE1-N 3.27Å
52	M	95.3	Very high	94.6	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.025	6%	0.058	C	C	.	.	H	α-helix	trans	-50.4	-52.8	173.4	173.3	61.2	85.5	0	0	111.5	S48 S54 T55 L59 I73 I115 V176 N180 Y264	S48-M52 PolarHBondContact O-N 3.28Å; S48-M52 VanDerWaalsContact O-N 3.12Å; M52-S54 VanDerWaalsContact C-N 3.29Å; M52-S54 PolarHBondContact O-N 3.24Å; M52-T55 PolarHBondContact O-N 3.4Å; M52-T55 PolarHBondContact O-OG1 3.29Å; M52-L59 HydrophobicContact SD-CD1 4.15Å; M52-I73 HydrophobicContact CE-CG2 4.48Å; M52-I115 HydrophobicContact CE-CD1 3.7Å; M52-V176 HydrophobicContact CE-CG1 4.33Å; M52-N180 HydrophobicContact CE-CB 3.87Å; M52-Y264 WeakPolarHBondContact CA-OH 3.36Å; M52-Y264 HydrophobicContact CE-CE1 4.37Å; M52-Y264 PolarHBondContact SD-OH 3.37Å
53	K	94.6	Very high	94.4	Very high	46 Å²	46	12.3 Å²	12.3	20%	0.2	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-36.3	178.9	-61.5	-171.4	179.1	-152.2	0	113	S50 Y51 T55 I56 T361	S50-K53 PolarHBondContact O-N 2.77Å; Y51-K53 VanDerWaalsContact C-N 3.33Å; Y51-K53 PolarHBondContact O-N 3.02Å; K53-T55 PolarHBondContact O-N 2.69Å; K53-I56 WeakPolarHBondContact O-CD1 3.5Å; K53-I56 WeakPolarHBondContact O-CG1 3.17Å; K53-T361 PolarHBondContact NZ-OG1 3Å; K53-T361 VanDerWaalsContact NZ-OG1 3.09Å
54	S	96.1	Very high	94	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-68.7	-21.3	177.9	81.5	0	0	0	0	113.8	S50 Y51 M52 G229 N379	S50-S54 PolarHBondContact O-N 3.27Å; Y51-S54 WeakPolarHBondContact O-CB 3.43Å; Y51-S54 PolarHBondContact O-N 3.45Å; Y51-S54 PolarHBondContact O-OG 3.17Å; M52-S54 VanDerWaalsContact C-N 3.29Å; M52-S54 PolarHBondContact O-N 3.24Å; S54-G229 VanDerWaalsContact OG-CA 3.26Å; S54-G229 WeakPolarHBondContact OG-CA 3.38Å; S54-N379 PolarHBondContact O-ND2 2.81Å
55	T	95.9	Very high	93.8	Very high	4 Å²	4	11.7 Å²	11.7	3%	0.025	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.1	-177.4	62.6	0	0	0	0	114.5	Y51 M52 K53 T57 Q58 L59 W260 Y264	Y51-T55 HydrophobicContact CD1-CG2 4.21Å; Y51-T55 HydrophobicContact CD2-CG2 4.45Å; Y51-T55 HydrophobicContact CE1-CG2 3.66Å; Y51-T55 HydrophobicContact CE2-CG2 3.96Å; Y51-T55 VanDerWaalsContact CZ-CG2 3.5Å; Y51-T55 WeakPolarHBondContact O-CG2 3.47Å; Y51-T55 PolarHBondContact O-N 3.15Å; Y51-T55 VanDerWaalsContact O-N 3.16Å; M52-T55 PolarHBondContact O-N 3.4Å; M52-T55 PolarHBondContact O-OG1 3.29Å; K53-T55 PolarHBondContact O-N 2.69Å; T55-T57 PolarHBondContact O-N 2.87Å; T55-Q58 WeakPolarHBondContact O-CA 3.15Å; T55-Q58 WeakPolarHBondContact O-CB 3.37Å; T55-Q58 PolarHBondContact O-N 2.91Å; T55-L59 PolarHBondContact O-N 3.49Å; T55-W260 HydrophobicContact CG2-CB 4.16Å; T55-Y264 HydrophobicContact CG2-CE2 4.35Å; T55-Y264 PolarHBondContact OG1-OH 2.85Å
56	I	94.4	Very high	93.7	Very high	5 Å²	5	11.4 Å²	11.4	3%	0.026	6%	0.062	C	C	.	.	H	α-helix	trans	-45.5	-55.9	-177	-77.1	172.3	0	0	0	112	K53 Q58 L59 E60 I70 T361 Y362 K365	K53-I56 WeakPolarHBondContact O-CD1 3.5Å; K53-I56 WeakPolarHBondContact O-CG1 3.17Å; I56-Q58 PolarHBondContact O-N 3.43Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-E60 WeakPolarHBondContact O-CG 3.12Å; I56-E60 PolarHBondContact O-N 2.99Å; I56-I70 HydrophobicContact CB-CG2 4.18Å; I56-I70 HydrophobicContact CD1-CG2 4.43Å; I56-I70 HydrophobicContact CG1-CG2 3.77Å; I56-I70 HydrophobicContact CG2-CG2 3.86Å; I56-T361 HydrophobicContact CD1-CG2 3.49Å; I56-T361 VanDerWaalsContact CD1-CG2 3.49Å; I56-T361 WeakPolarHBondContact CD1-O 3.28Å; I56-Y362 HydrophobicContact CG2-CD1 4.44Å; I56-Y362 HydrophobicContact CG2-CE1 4.27Å; I56-K365 HydrophobicContact CG2-CD 4.47Å
57	T	93.8	Very high	93.8	Very high	6 Å²	6	10.7 Å²	10.7	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-68.2	-24.4	-176.8	58.7	0	0	0	0	113.4	T55 R61 K365 E368	T55-T57 PolarHBondContact O-N 2.87Å; T57-R61 WeakPolarHBondContact O-CD 3.46Å; T57-R61 VanDerWaalsContact O-CG 3.24Å; T57-R61 WeakPolarHBondContact O-CG 3.42Å; T57-R61 PolarHBondContact O-N 3.37Å; T57-K365 HydrophobicContact CG2-CB 3.69Å; T57-K365 HydrophobicContact CG2-CD 3.93Å; T57-K365 HydrophobicContact CG2-CG 3.6Å; T57-E368 VanDerWaalsContact CB-OE2 3.26Å; T57-E368 WeakPolarHBondContact CB-OE2 3.16Å; T57-E368 WeakPolarHBondContact CG2-OE2 3.45Å; T57-E368 PolarHBondContact OG1-OE2 3.37Å
58	Q	94.7	Very high	93.7	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-75.7	-40.7	177.2	-49	-51.3	-57.3	0	0	111	T55 I56 R61 R62 W260	T55-Q58 WeakPolarHBondContact O-CA 3.15Å; T55-Q58 WeakPolarHBondContact O-CB 3.37Å; T55-Q58 PolarHBondContact O-N 2.91Å; I56-Q58 PolarHBondContact O-N 3.43Å; Q58-R61 PolarHBondContact O-N 2.91Å; Q58-R62 VanDerWaalsContact O-CB 3.26Å; Q58-R62 WeakPolarHBondContact O-CB 3.42Å; Q58-R62 PolarHBondContact O-N 3.29Å; Q58-W260 HydrophobicContact CB-CB 3.95Å; Q58-W260 HydrophobicContact CB-CG 4.4Å
59	L	93.9	Very high	93.7	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-67.2	-41.2	175.5	-64.6	173.2	0	0	0	111.1	M52 T55 I56 R61 R62 F63 I70 V176 W260	M52-L59 HydrophobicContact SD-CD1 4.15Å; T55-L59 PolarHBondContact O-N 3.49Å; I56-L59 PolarHBondContact O-N 3.3Å; L59-R61 PolarHBondContact O-N 3.45Å; L59-R62 PolarHBondContact O-N 2.91Å; L59-F63 HydrophobicContact CB-CD2 4.37Å; L59-F63 HydrophobicContact CD2-CD2 4.26Å; L59-F63 HydrophobicContact CD2-CE2 3.71Å; L59-F63 WeakPolarHBondContact O-CD2 3.48Å; L59-F63 PolarHBondContact O-N 3.37Å; L59-I70 HydrophobicContact CB-CD1 3.65Å; L59-V176 HydrophobicContact CD1-CG1 4.17Å; L59-V176 HydrophobicContact CD2-CG2 4.45Å; L59-W260 HydrophobicContact CD2-CD2 3.99Å; L59-W260 HydrophobicContact CD2-CE3 3.77Å; L59-W260 HydrophobicContact CD2-CZ3 4.12Å
60	E	92.5	Very high	93.7	Very high	12 Å²	12	16 Å²	16	6%	0.056	7%	0.073	C	C	.	.	H	α-helix	trans	-54.1	-53.4	173.8	-70.8	173.4	163.7	0	0	111	I56 D64 I65 S67 I70 K365 A612	I56-E60 WeakPolarHBondContact O-CG 3.12Å; I56-E60 PolarHBondContact O-N 2.99Å; E60-D64 WeakPolarHBondContact O-CA 3.23Å; E60-D64 PolarHBondContact O-N 3.16Å; E60-I65 PolarHBondContact O-N 3.49Å; E60-S67 WeakPolarHBondContact OE1-CA 3.13Å; E60-I70 HydrophobicContact CG-CD1 3.98Å; E60-I70 HydrophobicContact CG-CG1 3.39Å; E60-K365 IonicContact OE1-NZ 3.27Å; E60-K365 PolarHBondContact OE1-NZ 3.08Å; E60-K365 WeakPolarHBondContact OE2-CE 3.35Å; E60-K365 IonicContact OE2-NZ 3.8Å; E60-K365 PolarHBondContact OE2-NZ 3.46Å; E60-A612 HydrophobicContact CB-CB 4.39Å; E60-A612 WeakPolarHBondContact O-CB 2.87Å
61	R	91	Very high	93.7	Very high	18 Å²	18	15.6 Å²	15.6	7%	0.068	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-39.4	-177.4	-70.2	171.6	-177.6	159.1	8.2	113	T57 Q58 L59 A254 W256 V257 E368	T57-R61 WeakPolarHBondContact O-CD 3.46Å; T57-R61 VanDerWaalsContact O-CG 3.24Å; T57-R61 WeakPolarHBondContact O-CG 3.42Å; T57-R61 PolarHBondContact O-N 3.37Å; Q58-R61 PolarHBondContact O-N 2.91Å; L59-R61 PolarHBondContact O-N 3.45Å; R61-A254 WeakPolarHBondContact CD-O 3.39Å; R61-A254 PolarHBondContact NE-O 3.38Å; R61-W256 WeakPolarHBondContact CD-O 3.31Å; R61-W256 PolarHBondContact NH1-O 3.49Å; R61-V257 HydrophobicContact CB-CG2 3.56Å; R61-E368 IonicContact CZ-OE1 3.06Å; R61-E368 IonicContact NH1-OE1 3.76Å; R61-E368 PolarHBondContact NH1-OE1 2.96Å; R61-E368 IonicContact NH2-OE1 2.64Å; R61-E368 PolarHBondContact NH2-OE1 3.14Å
62	R	90.4	Very high	93.7	Very high	26 Å²	26	17.7 Å²	17.7	10%	0.098	8%	0.083	C	C	.	.	H	α-helix	trans	-68.4	-43.8	-179	176.6	56.2	171.8	165.3	-9.7	112.2	Q58 L59 G123 Y125 V257 W260	Q58-R62 VanDerWaalsContact O-CB 3.26Å; Q58-R62 WeakPolarHBondContact O-CB 3.42Å; Q58-R62 PolarHBondContact O-N 3.29Å; L59-R62 PolarHBondContact O-N 2.91Å; R62-G123 PolarHBondContact NH2-O 3.3Å; R62-Y125 VanDerWaalsContact NH1-CA 3.3Å; R62-V257 HydrophobicContact CB-CG1 4.07Å; R62-W260 HydrophobicContact CG-CZ2 4.09Å
63	F	89.1	Confident	93.7	Very high	25 Å²	25	17.6 Å²	17.6	11%	0.11	8%	0.082	C	C	.	.	H	α-helix	trans	-94.1	-2.6	-177.4	-63.9	-68.2	0	0	0	113.2	L59 I65 P118 I122 M172 W173 V176 W260	L59-F63 HydrophobicContact CB-CD2 4.37Å; L59-F63 HydrophobicContact CD2-CD2 4.26Å; L59-F63 HydrophobicContact CD2-CE2 3.71Å; L59-F63 WeakPolarHBondContact O-CD2 3.48Å; L59-F63 PolarHBondContact O-N 3.37Å; F63-I65 HydrophobicContact CB-CD1 4.15Å; F63-I65 HydrophobicContact CB-CG1 4.11Å; F63-I65 HydrophobicContact CB-CG2 4.09Å; F63-I65 WeakPolarHBondContact O-CG2 3.26Å; F63-I65 PolarHBondContact O-N 2.7Å; F63-P118 HydrophobicContact CE1-CB 4.08Å; F63-P118 HydrophobicContact CZ-CB 3.91Å; F63-P118 HydrophobicContact CZ-CG 4.35Å; F63-I122 HydrophobicContact CD1-CD1 4.38Å; F63-I122 HydrophobicContact CE1-CD1 3.67Å; F63-M172 HydrophobicContact CD1-CB 4.16Å; F63-M172 HydrophobicContact CE1-CB 3.72Å; F63-W173 HydrophobicContact CB-CB 4.22Å; F63-W173 HydrophobicContact CD1-CB 4.21Å; F63-W173 HydrophobicContact CD2-CB 4.28Å; F63-W173 HydrophobicContact CG-CB 3.98Å; F63-V176 HydrophobicContact CE2-CG2 3.73Å; F63-V176 HydrophobicContact CZ-CG2 3.86Å; F63-W260 HydrophobicContact CE2-CH2 4.39Å; F63-W260 HydrophobicContact CE2-CZ2 4.37Å; F63-W260 HydrophobicContact CZ-CH2 4.1Å; F63-W260 HydrophobicContact CZ-CZ2 4.16Å
64	D	88.4	Confident	93.7	Very high	24 Å²	24	16.2 Å²	16.2	13%	0.128	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	55.9	-176.8	-158.3	40.6	0	0	0	111	E60 K605 G611 A612 R614	E60-D64 WeakPolarHBondContact O-CA 3.23Å; E60-D64 PolarHBondContact O-N 3.16Å; D64-K605 WeakPolarHBondContact O-CE 3.4Å; D64-K605 WeakPolarHBondContact OD2-CG 3.43Å; D64-G611 VanDerWaalsContact O-CA 3.3Å; D64-G611 WeakPolarHBondContact O-CA 3.31Å; D64-G611 WeakPolarHBondContact OD1-CA 3.22Å; D64-G611 VanDerWaalsContact OD2-CA 3.23Å; D64-G611 WeakPolarHBondContact OD2-CA 3.26Å; D64-A612 PolarHBondContact OD1-N 2.96Å; D64-R614 IonicContact OD1-NH2 3.53Å
65	I	91.4	Very high	93.6	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.077	C	C	.	.			trans	-120.2	148.5	-176.4	57.8	177	0	0	0	112.6	E60 F63 L69 I70 I73 W173	E60-I65 PolarHBondContact O-N 3.49Å; F63-I65 HydrophobicContact CB-CD1 4.15Å; F63-I65 HydrophobicContact CB-CG1 4.11Å; F63-I65 HydrophobicContact CB-CG2 4.09Å; F63-I65 WeakPolarHBondContact O-CG2 3.26Å; F63-I65 PolarHBondContact O-N 2.7Å; I65-L69 HydrophobicContact CB-CD2 4.01Å; I65-L69 HydrophobicContact CD1-CD2 4.38Å; I65-L69 HydrophobicContact CD1-CG 4.43Å; I65-L69 HydrophobicContact CG2-CD2 3.8Å; I65-I70 HydrophobicContact CD1-CD1 3.49Å; I65-I70 VanDerWaalsContact CD1-CD1 3.49Å; I65-I70 HydrophobicContact CD1-CG1 4.01Å; I65-I70 HydrophobicContact CG1-CD1 4.05Å; I65-I70 HydrophobicContact CG1-CG1 4.24Å; I65-I73 HydrophobicContact CD1-CD1 3.97Å; I65-W173 HydrophobicContact CD1-CB 4.26Å; I65-W173 HydrophobicContact CG2-CG 4.5Å
66	P	92.9	Very high	93.6	Very high	13 Å²	13	16 Å²	16	8%	0.084	8%	0.076	C	C	.	.			trans	-71.4	160.8	176.6	29.9	-36.2	0	0	0	112.3	Y68 L69 I70 D596 W602	P66-Y68 VanDerWaalsContact C-N 3.33Å; P66-Y68 HydrophobicContact CB-CD1 3.74Å; P66-Y68 HydrophobicContact CB-CE1 3.76Å; P66-Y68 HydrophobicContact CG-CD1 3.58Å; P66-Y68 HydrophobicContact CG-CE1 3.13Å; P66-Y68 PolarHBondContact O-N 2.66Å; P66-L69 HydrophobicContact CG-CB 4.27Å; P66-L69 PolarHBondContact O-N 3.15Å; P66-I70 PolarHBondContact O-N 3.37Å; P66-D596 WeakPolarHBondContact CB-OD2 3.37Å; P66-W602 HydrophobicContact CB-CH2 4.25Å; P66-W602 HydrophobicContact CB-CZ3 4.06Å
67	S	95.3	Very high	93.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-36	-175.1	-37	0	0	0	0	112.5	E60 L69 I70 G71 Y362 K365 G592 D596 Y616	E60-S67 WeakPolarHBondContact OE1-CA 3.13Å; S67-L69 PolarHBondContact O-N 2.89Å; S67-I70 WeakPolarHBondContact O-CB 3.46Å; S67-I70 PolarHBondContact O-N 2.94Å; S67-G71 PolarHBondContact O-N 3.49Å; S67-Y362 PolarHBondContact O-OH 2.91Å; S67-Y362 VanDerWaalsContact O-OH 3.04Å; S67-K365 PolarHBondContact OG-NZ 3.48Å; S67-G592 WeakPolarHBondContact CB-O 3.44Å; S67-D596 WeakPolarHBondContact CA-OD2 3.49Å; S67-D596 WeakPolarHBondContact CB-OD1 3.46Å; S67-D596 VanDerWaalsContact N-CG 3.34Å; S67-D596 PolarHBondContact N-OD1 3.37Å; S67-D596 PolarHBondContact N-OD2 2.9Å; S67-D596 PolarHBondContact OG-OD1 3.21Å; S67-Y616 PolarHBondContact OG-OH 3.14Å
68	Y	95.3	Very high	93.7	Very high	109 Å²	109	18.1 Å²	18.1	43%	0.427	9%	0.085	S	C	.	.	H	α-helix	trans	-58.5	-36.4	178.2	82.6	-97.9	0	0	0	112.1	P66 G71 V72 D596	P66-Y68 VanDerWaalsContact C-N 3.33Å; P66-Y68 HydrophobicContact CB-CD1 3.74Å; P66-Y68 HydrophobicContact CB-CE1 3.76Å; P66-Y68 HydrophobicContact CG-CD1 3.58Å; P66-Y68 HydrophobicContact CG-CE1 3.13Å; P66-Y68 PolarHBondContact O-N 2.66Å; Y68-G71 WeakPolarHBondContact O-CA 3.5Å; Y68-G71 PolarHBondContact O-N 3.29Å; Y68-G71 VanDerWaalsContact O-N 3.14Å; Y68-V72 PolarHBondContact O-N 3.27Å; Y68-D596 PolarHBondContact N-OD2 3.43Å
69	L	94.8	Very high	93.6	Very high	22 Å²	22	21.4 Å²	21.4	12%	0.115	10%	0.102	C	C	.	.	H	α-helix	trans	-73.7	-33.8	-178.4	-173.1	58.3	0	0	0	111.2	I65 P66 S67 G71 V72 I73 W173	I65-L69 HydrophobicContact CB-CD2 4.01Å; I65-L69 HydrophobicContact CD1-CD2 4.38Å; I65-L69 HydrophobicContact CD1-CG 4.43Å; I65-L69 HydrophobicContact CG2-CD2 3.8Å; P66-L69 HydrophobicContact CG-CB 4.27Å; P66-L69 PolarHBondContact O-N 3.15Å; S67-L69 PolarHBondContact O-N 2.89Å; L69-G71 VanDerWaalsContact C-N 3.29Å; L69-V72 HydrophobicContact CD1-CB 4.41Å; L69-V72 WeakPolarHBondContact O-CB 3.42Å; L69-V72 PolarHBondContact O-N 2.67Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.15Å; L69-W173 HydrophobicContact CD1-CE3 4.48Å; L69-W173 HydrophobicContact CD1-CH2 4Å; L69-W173 HydrophobicContact CD1-CZ2 4.38Å; L69-W173 HydrophobicContact CD1-CZ3 4.04Å; L69-W173 HydrophobicContact CD2-CD2 4.17Å; L69-W173 HydrophobicContact CD2-CH2 4.49Å; L69-W173 HydrophobicContact CD2-CZ2 4.09Å
70	I	95.2	Very high	93.5	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-38.3	167	-64.6	-72.1	0	0	0	111.3	I56 L59 E60 I65 P66 S67 V72 I73 D74	I56-I70 HydrophobicContact CB-CG2 4.18Å; I56-I70 HydrophobicContact CD1-CG2 4.43Å; I56-I70 HydrophobicContact CG1-CG2 3.77Å; I56-I70 HydrophobicContact CG2-CG2 3.86Å; L59-I70 HydrophobicContact CB-CD1 3.65Å; E60-I70 HydrophobicContact CG-CD1 3.98Å; E60-I70 HydrophobicContact CG-CG1 3.39Å; I65-I70 HydrophobicContact CD1-CD1 3.49Å; I65-I70 VanDerWaalsContact CD1-CD1 3.49Å; I65-I70 HydrophobicContact CD1-CG1 4.01Å; I65-I70 HydrophobicContact CG1-CD1 4.05Å; I65-I70 HydrophobicContact CG1-CG1 4.24Å; P66-I70 PolarHBondContact O-N 3.37Å; S67-I70 WeakPolarHBondContact O-CB 3.46Å; S67-I70 PolarHBondContact O-N 2.94Å; I70-V72 PolarHBondContact O-N 3Å; I70-I73 HydrophobicContact CD1-CD1 4.24Å; I70-I73 CarbonylContact O-C 3.5Å; I70-I73 WeakPolarHBondContact O-CA 3.31Å; I70-I73 WeakPolarHBondContact O-CB 3.15Å; I70-I73 PolarHBondContact O-N 3.39Å; I70-D74 PolarHBondContact O-N 3.29Å
71	G	95.6	Very high	93.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.3	-41.6	171.7	0	0	0	0	0	112.5	S67 Y68 L69 D74 G75 Y362 P588	S67-G71 PolarHBondContact O-N 3.49Å; Y68-G71 WeakPolarHBondContact O-CA 3.5Å; Y68-G71 PolarHBondContact O-N 3.29Å; Y68-G71 VanDerWaalsContact O-N 3.14Å; L69-G71 VanDerWaalsContact C-N 3.29Å; G71-D74 PolarHBondContact O-N 2.94Å; G71-G75 PolarHBondContact O-N 3.38Å; G71-Y362 WeakPolarHBondContact CA-OH 3.47Å; G71-Y362 PolarHBondContact N-OH 2.68Å; G71-P588 WeakPolarHBondContact CA-O 3.35Å
72	V	96.3	Very high	93.4	Very high	44 Å²	44	21.9 Å²	21.9	27%	0.267	11%	0.106	S	C	.	.	H	α-helix	trans	-63.8	-42.6	173.6	176.3	0	0	0	0	111	Y68 L69 I70 G75 S76 L177 I589	Y68-V72 PolarHBondContact O-N 3.27Å; L69-V72 HydrophobicContact CD1-CB 4.41Å; L69-V72 WeakPolarHBondContact O-CB 3.42Å; L69-V72 PolarHBondContact O-N 2.67Å; I70-V72 PolarHBondContact O-N 3Å; V72-G75 PolarHBondContact O-N 3.41Å; V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.27Å; V72-L177 HydrophobicContact CG1-CD1 4.21Å; V72-I589 HydrophobicContact CG2-CD1 4.03Å; V72-I589 HydrophobicContact CG2-CG1 3.92Å; V72-I589 HydrophobicContact CG2-CG2 4.31Å
73	I	96.1	Very high	93.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-48.1	176.7	-68.4	167.5	0	0	0	110.8	M52 I65 L69 I70 S76 W173 V176 L177 N180	M52-I73 HydrophobicContact CE-CG2 4.48Å; I65-I73 HydrophobicContact CD1-CD1 3.97Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.15Å; I70-I73 HydrophobicContact CD1-CD1 4.24Å; I70-I73 CarbonylContact O-C 3.5Å; I70-I73 WeakPolarHBondContact O-CA 3.31Å; I70-I73 WeakPolarHBondContact O-CB 3.15Å; I70-I73 PolarHBondContact O-N 3.39Å; I73-S76 WeakPolarHBondContact O-CB 3.21Å; I73-S76 PolarHBondContact O-N 3.02Å; I73-S76 PolarHBondContact O-OG 3.04Å; I73-W173 HydrophobicContact CD1-CB 4.28Å; I73-W173 HydrophobicContact CD1-CE3 4.13Å; I73-W173 HydrophobicContact CG1-CE3 4.37Å; I73-V176 HydrophobicContact CG2-CB 4.48Å; I73-V176 HydrophobicContact CG2-CG1 3.62Å; I73-L177 HydrophobicContact CG1-CB 4.31Å; I73-N180 PolarHBondContact O-ND2 2.94Å
74	D	94.8	Very high	93.1	Very high	18 Å²	18	27 Å²	27	10%	0.096	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-48.6	177.3	-170.5	52.3	0	0	0	110.7	I70 G71 S76 F77 N180 T361 P588	I70-D74 PolarHBondContact O-N 3.29Å; G71-D74 PolarHBondContact O-N 2.94Å; D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 3.05Å; D74-F77 WeakPolarHBondContact O-CB 3.35Å; D74-F77 PolarHBondContact O-N 2.85Å; D74-N180 PolarHBondContact O-ND2 3.41Å; D74-T361 WeakPolarHBondContact OD2-CG2 3.48Å; D74-T361 PolarHBondContact OD2-OG1 2.88Å; D74-P588 HydrophobicContact CB-CB 4.18Å; D74-P588 HydrophobicContact CB-CG 4.43Å; D74-P588 WeakPolarHBondContact OD2-CG 3.32Å
75	G	94.4	Very high	92.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-24	178.8	0	0	0	0	0	114.5	G71 V72 F77 E78 I79	G71-G75 PolarHBondContact O-N 3.38Å; V72-G75 PolarHBondContact O-N 3.41Å; G75-F77 PolarHBondContact O-N 2.94Å; G75-E78 WeakPolarHBondContact O-CB 3.38Å; G75-E78 PolarHBondContact O-N 3.31Å; G75-I79 PolarHBondContact O-N 3.29Å
76	S	95.5	Very high	92	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-23	179.2	75.4	0	0	0	0	114.1	V72 I73 D74 E78 I79 G80 L177	V72-S76 WeakPolarHBondContact O-CB 3.22Å; V72-S76 PolarHBondContact O-N 3.27Å; I73-S76 WeakPolarHBondContact O-CB 3.21Å; I73-S76 PolarHBondContact O-N 3.02Å; I73-S76 PolarHBondContact O-OG 3.04Å; D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 3.05Å; S76-E78 VanDerWaalsContact C-N 3.32Å; S76-E78 PolarHBondContact O-N 3.43Å; S76-I79 WeakPolarHBondContact O-CB 3.36Å; S76-I79 PolarHBondContact O-N 2.82Å; S76-G80 PolarHBondContact O-N 3.31Å; S76-L177 PolarHBondContact OG-O 3.39Å
77	F	95.4	Very high	91.2	Very high	20 Å²	20	37 Å²	37	9%	0.088	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-44.7	169.6	172.8	-106.5	0	0	0	112	D74 G75 I79 G80 N81 N180 R183 G184 E187	D74-F77 WeakPolarHBondContact O-CB 3.35Å; D74-F77 PolarHBondContact O-N 2.85Å; G75-F77 PolarHBondContact O-N 2.94Å; F77-I79 VanDerWaalsContact C-N 3.35Å; F77-G80 PolarHBondContact O-N 3.47Å; F77-N81 PolarHBondContact O-N 3.43Å; F77-N180 WeakPolarHBondContact CA-O 3.21Å; F77-N180 WeakPolarHBondContact CB-ND2 3.35Å; F77-N180 PolarHBondContact N-ND2 3.27Å; F77-R183 HydrophobicContact CD2-CB 4.36Å; F77-R183 HydrophobicContact CD2-CG 4.43Å; F77-R183 HydrophobicContact CE2-CG 4.31Å; F77-R183 VanDerWaalsContact CG-NH2 3.32Å; F77-G184 VanDerWaalsContact CD2-CA 3.41Å; F77-G184 WeakPolarHBondContact O-CA 3.29Å; F77-E187 HydrophobicContact CE2-CB 4.1Å; F77-E187 HydrophobicContact CE2-CG 4.46Å; F77-E187 HydrophobicContact CZ-CB 4.13Å; F77-E187 HydrophobicContact CZ-CG 4.06Å; F77-E187 WeakPolarHBondContact CZ-OE2 3.46Å
78	E	94	Very high	90.5	Very high	35 Å²	35	37.9 Å²	37.9	16%	0.164	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-38.1	179.4	-58.5	-61.2	168.7	0	0	110.9	G75 S76 G80 N81 L82 R580 I585	G75-E78 WeakPolarHBondContact O-CB 3.38Å; G75-E78 PolarHBondContact O-N 3.31Å; S76-E78 VanDerWaalsContact C-N 3.32Å; S76-E78 PolarHBondContact O-N 3.43Å; E78-G80 VanDerWaalsContact C-N 3.35Å; E78-G80 PolarHBondContact O-N 2.88Å; E78-N81 PolarHBondContact O-N 3.37Å; E78-L82 WeakPolarHBondContact O-CB 3.34Å; E78-L82 WeakPolarHBondContact O-CG 3.01Å; E78-L82 PolarHBondContact O-N 3.12Å; E78-R580 IonicContact OE1-NH2 2.7Å; E78-R580 IonicContact OE2-CZ 2.72Å; E78-R580 IonicContact OE2-NE 2.72Å; E78-R580 PolarHBondContact OE2-NE 2.91Å; E78-R580 IonicContact OE2-NH2 2.66Å; E78-R580 PolarHBondContact OE2-NH2 3.1Å; E78-I585 HydrophobicContact CB-CD1 4.4Å; E78-I585 HydrophobicContact CB-CG1 3.71Å
79	I	93	Very high	89.4	Confident	72 Å²	72	35.4 Å²	35.4	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-56.4	-50.7	172.4	-58.7	176.7	0	0	0	110	G75 S76 F77 N81 L82 L83 I585	G75-I79 PolarHBondContact O-N 3.29Å; S76-I79 WeakPolarHBondContact O-CB 3.36Å; S76-I79 PolarHBondContact O-N 2.82Å; F77-I79 VanDerWaalsContact C-N 3.35Å; I79-N81 VanDerWaalsContact C-N 3.34Å; I79-N81 PolarHBondContact O-N 2.91Å; I79-L82 PolarHBondContact O-N 3.43Å; I79-L83 HydrophobicContact CG2-CD1 4.49Å; I79-L83 WeakPolarHBondContact O-CG 3.18Å; I79-L83 PolarHBondContact O-N 2.91Å; I79-I585 HydrophobicContact CG1-CD1 3.68Å; I79-I585 HydrophobicContact CG1-CG1 4.06Å
80	G	92.8	Very high	88	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-43.2	177.8	0	0	0	0	0	113.3	S76 F77 E78 I185	S76-G80 PolarHBondContact O-N 3.31Å; F77-G80 PolarHBondContact O-N 3.47Å; E78-G80 VanDerWaalsContact C-N 3.35Å; E78-G80 PolarHBondContact O-N 2.88Å; G80-I185 WeakPolarHBondContact O-CG1 3.09Å
81	N	91.1	Very high	86.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-48	178.3	-170.3	-71.6	0	0	0	111.7	F77 E78 I79 L83 V84 I85 G184 E187 T188 R580	F77-N81 PolarHBondContact O-N 3.43Å; E78-N81 PolarHBondContact O-N 3.37Å; I79-N81 VanDerWaalsContact C-N 3.34Å; I79-N81 PolarHBondContact O-N 2.91Å; N81-L83 VanDerWaalsContact C-N 3.31Å; N81-L83 PolarHBondContact O-N 3.18Å; N81-V84 PolarHBondContact O-N 3.16Å; N81-I85 WeakPolarHBondContact O-CB 3.45Å; N81-I85 PolarHBondContact O-N 2.97Å; N81-G184 WeakPolarHBondContact CA-O 3.35Å; N81-E187 PolarHBondContact ND2-OE2 3.4Å; N81-T188 WeakPolarHBondContact CA-OG1 3.38Å; N81-T188 PolarHBondContact ND2-OG1 3.32Å; N81-T188 PolarHBondContact O-OG1 3.43Å; N81-R580 PolarHBondContact ND2-NH2 3.36Å
82	L	89.2	Confident	85.4	Confident	39 Å²	39	42 Å²	42	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-33.5	-177.9	-71.5	170.4	0	0	0	113.5	E78 I79 V84 L577 R580 T581 I585	E78-L82 WeakPolarHBondContact O-CB 3.34Å; E78-L82 WeakPolarHBondContact O-CG 3.01Å; E78-L82 PolarHBondContact O-N 3.12Å; I79-L82 PolarHBondContact O-N 3.43Å; L82-V84 PolarHBondContact O-N 3.37Å; L82-L577 HydrophobicContact CD2-CD1 3.5Å; L82-R580 HydrophobicContact CD2-CB 4.3Å; L82-T581 WeakPolarHBondContact CD1-OG1 3.22Å; L82-I585 HydrophobicContact CD1-CD1 3.88Å
83	L	86.8	Confident	84.1	Confident	123 Å²	123	41.5 Å²	41.5	64%	0.644	23%	0.226	S	C	*	.	H	α-helix	trans	-59.9	-31.3	179.7	-74.6	171	0	0	0	113.3	I79 N81	I79-L83 HydrophobicContact CG2-CD1 4.49Å; I79-L83 WeakPolarHBondContact O-CG 3.18Å; I79-L83 PolarHBondContact O-N 2.91Å; N81-L83 VanDerWaalsContact C-N 3.31Å; N81-L83 PolarHBondContact O-N 3.18Å
84	V	87.4	Confident	82.9	Confident	34 Å²	34	47.1 Å²	47.1	21%	0.206	25%	0.25	C	S	.	.	H	α-helix	trans	-120.1	-10.6	-171.4	-69.7	0	0	0	0	114.2	N81 L82 A86 F87 V88 I185 T188	N81-V84 PolarHBondContact O-N 3.16Å; L82-V84 PolarHBondContact O-N 3.37Å; V84-A86 PolarHBondContact O-N 3.49Å; V84-F87 PolarHBondContact O-N 3.36Å; V84-V88 HydrophobicContact CB-CG2 4.29Å; V84-V88 WeakPolarHBondContact O-CB 3.35Å; V84-V88 WeakPolarHBondContact O-CG2 3.44Å; V84-V88 PolarHBondContact O-N 3.37Å; V84-I185 HydrophobicContact CB-CG2 4.46Å; V84-I185 HydrophobicContact CG1-CG2 4Å; V84-I185 HydrophobicContact CG2-CB 4.15Å; V84-I185 HydrophobicContact CG2-CG1 4.27Å; V84-I185 HydrophobicContact CG2-CG2 3.78Å; V84-T188 HydrophobicContact CG2-CG2 3.84Å; V84-T188 WeakPolarHBondContact CG2-OG1 3.5Å
85	I	81.4	Confident	82.3	Confident	44 Å²	44	52.1 Å²	52.1	23%	0.226	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-40.9	-173.9	-166.2	168.8	0	0	0	113.9	N81 S89 T188	N81-I85 WeakPolarHBondContact O-CB 3.45Å; N81-I85 PolarHBondContact O-N 2.97Å; I85-S89 WeakPolarHBondContact O-CB 3.19Å; I85-S89 PolarHBondContact O-N 2.83Å; I85-S89 PolarHBondContact O-OG 3.24Å; I85-T188 HydrophobicContact CB-CG2 3.83Å; I85-T188 HydrophobicContact CG1-CG2 4.09Å
86	A	74.4	Confident	81.8	Confident	76 Å²	76	54 Å²	54	63%	0.628	28%	0.28	S	S	*	.	H	α-helix	trans	-64.6	-46.4	177.2	0	0	0	0	0	111.3	V84 Y90	V84-A86 PolarHBondContact O-N 3.49Å; A86-Y90 WeakPolarHBondContact O-CB 3.2Å; A86-Y90 PolarHBondContact O-N 3.13Å; A86-Y90 VanDerWaalsContact O-N 3.14Å
87	F	76	Confident	81.5	Confident	130 Å²	130	55.9 Å²	55.9	57%	0.57	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-49.1	179.5	-178.8	-96.3	0	0	0	111.7	V84 Y90 F91	V84-F87 PolarHBondContact O-N 3.36Å; F87-Y90 PolarHBondContact O-N 3.08Å; F87-F91 AromaticContact CD2-CD2 3.45Å; F87-F91 HydrophobicContact CD2-CD2 3.45Å; F87-F91 VanDerWaalsContact CD2-CD2 3.45Å; F87-F91 AromaticContact CD2-CE2 3.84Å; F87-F91 HydrophobicContact CD2-CE2 3.84Å; F87-F91 HydrophobicContact CD2-CG 4.45Å; F87-F91 AromaticContact CE2-CD2 3.5Å; F87-F91 HydrophobicContact CE2-CD2 3.5Å; F87-F91 AromaticContact CE2-CE2 3.92Å; F87-F91 HydrophobicContact CE2-CE2 3.92Å; F87-F91 HydrophobicContact CE2-CG 4.18Å; F87-F91 HydrophobicContact CG-CD2 4.13Å; F87-F91 HydrophobicContact CZ-CB 4.5Å; F87-F91 HydrophobicContact CZ-CD2 4.23Å; F87-F91 WeakPolarHBondContact O-CB 3.45Å; F87-F91 PolarHBondContact O-N 2.89Å
88	V	80.7	Confident	81.2	Confident	19 Å²	19	55 Å²	55	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-67.6	-38.8	-178.5	172.8	0	0	0	0	111.8	V84 G92 T188 P189 L193	V84-V88 HydrophobicContact CB-CG2 4.29Å; V84-V88 WeakPolarHBondContact O-CB 3.35Å; V84-V88 WeakPolarHBondContact O-CG2 3.44Å; V84-V88 PolarHBondContact O-N 3.37Å; V88-G92 WeakPolarHBondContact O-CA 3.45Å; V88-G92 PolarHBondContact O-N 3.05Å; V88-T188 HydrophobicContact CB-CG2 3.9Å; V88-T188 HydrophobicContact CG1-CG2 4.19Å; V88-T188 HydrophobicContact CG2-CG2 4.05Å; V88-P189 HydrophobicContact CG1-CB 3.67Å; V88-L193 HydrophobicContact CG1-CD1 4.13Å; V88-L193 HydrophobicContact CG1-CG 4.38Å
89	S	71.9	Confident	81.2	Confident	57 Å²	57	57.4 Å²	57.4	40%	0.399	29%	0.293	S	S	.	.	H	α-helix	trans	-68.5	-36.7	-180	-57.9	0	0	0	0	112.3	I85	I85-S89 WeakPolarHBondContact O-CB 3.19Å; I85-S89 PolarHBondContact O-N 2.83Å; I85-S89 PolarHBondContact O-OG 3.24Å
90	Y	65.1	Low	81.1	Confident	81 Å²	81	55.9 Å²	55.9	32%	0.318	29%	0.285	S	S	.	.	H	α-helix	trans	-83.2	-52	-179.4	-177.3	-94.9	0	0	0	112.9	A86 F87 K94 M325	A86-Y90 WeakPolarHBondContact O-CB 3.2Å; A86-Y90 PolarHBondContact O-N 3.13Å; A86-Y90 VanDerWaalsContact O-N 3.14Å; F87-Y90 PolarHBondContact O-N 3.08Å; Y90-K94 PolarHBondContact OH-NZ 3.13Å; Y90-K94 VanDerWaalsContact OH-NZ 3.08Å; Y90-M325 HydrophobicContact CE1-CE 4.5Å; Y90-M325 HydrophobicContact CE2-CE 4Å; Y90-M325 HydrophobicContact CE2-SD 3.48Å; Y90-M325 WeakPolarHBondContact CE2-SD 3.41Å; Y90-M325 WeakPolarHBondContact OH-CE 3.34Å; Y90-M325 PolarHBondContact OH-SD 2.95Å
91	F	69.9	Low	81.2	Confident	76 Å²	76	55.9 Å²	55.9	33%	0.333	29%	0.285	S	S	.	.	H	α-helix	trans	-86.2	-34.9	-175	-68	-73.9	0	0	0	112.5	F87 A93 K94 F95	F87-F91 AromaticContact CD2-CD2 3.45Å; F87-F91 HydrophobicContact CD2-CD2 3.45Å; F87-F91 VanDerWaalsContact CD2-CD2 3.45Å; F87-F91 AromaticContact CD2-CE2 3.84Å; F87-F91 HydrophobicContact CD2-CE2 3.84Å; F87-F91 HydrophobicContact CD2-CG 4.45Å; F87-F91 AromaticContact CE2-CD2 3.5Å; F87-F91 HydrophobicContact CE2-CD2 3.5Å; F87-F91 AromaticContact CE2-CE2 3.92Å; F87-F91 HydrophobicContact CE2-CE2 3.92Å; F87-F91 HydrophobicContact CE2-CG 4.18Å; F87-F91 HydrophobicContact CG-CD2 4.13Å; F87-F91 HydrophobicContact CZ-CB 4.5Å; F87-F91 HydrophobicContact CZ-CD2 4.23Å; F87-F91 WeakPolarHBondContact O-CB 3.45Å; F87-F91 PolarHBondContact O-N 2.89Å; F91-A93 PolarHBondContact O-N 3.11Å; F91-K94 WeakPolarHBondContact O-CB 3.34Å; F91-K94 PolarHBondContact O-N 3.44Å; F91-F95 HydrophobicContact CB-CE2 4.2Å; F91-F95 WeakPolarHBondContact O-CD2 3.39Å
92	G	68	Low	81.4	Confident	5 Å²	5	55.8 Å²	55.8	5%	0.052	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.6	-29.6	-175.3	0	0	0	0	0	113.7	V88 K94 F95	V88-G92 WeakPolarHBondContact O-CA 3.45Å; V88-G92 PolarHBondContact O-N 3.05Å; G92-K94 VanDerWaalsContact C-N 3.27Å; G92-K94 PolarHBondContact O-N 3.38Å; G92-F95 PolarHBondContact O-N 2.8Å
93	A	68	Low	81.7	Confident	35 Å²	35	59.2 Å²	59.2	29%	0.289	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.5	-26.1	176.8	0	0	0	0	0	113.5	F91 R97	F91-A93 PolarHBondContact O-N 3.11Å; A93-R97 PolarHBondContact O-NE 3.2Å
94	K	71.9	Confident	82.1	Confident	119 Å²	119	53.6 Å²	53.6	52%	0.517	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-83.5	-20.8	-179	-59.3	-174.7	-178.9	-177.3	0	112.9	Y90 F91 G92 R283	Y90-K94 PolarHBondContact OH-NZ 3.13Å; Y90-K94 VanDerWaalsContact OH-NZ 3.08Å; F91-K94 WeakPolarHBondContact O-CB 3.34Å; F91-K94 PolarHBondContact O-N 3.44Å; G92-K94 VanDerWaalsContact C-N 3.27Å; G92-K94 PolarHBondContact O-N 3.38Å; K94-R283 PolarHBondContact O-NH2 3.31Å
95	F	80.4	Confident	82.5	Confident	124 Å²	124	52 Å²	52	54%	0.544	27%	0.265	S	S	.	.	S	Bend	trans	-95.8	-174.5	-179.2	-69.3	-68	0	0	0	111.7	F91 G92 R97 I100	F91-F95 HydrophobicContact CB-CE2 4.2Å; F91-F95 WeakPolarHBondContact O-CD2 3.39Å; G92-F95 PolarHBondContact O-N 2.8Å; F95-R97 PolarHBondContact O-N 3.47Å; F95-I100 HydrophobicContact CB-CD1 3.42Å; F95-I100 VanDerWaalsContact CB-CD1 3.42Å; F95-I100 HydrophobicContact CB-CG1 4.49Å; F95-I100 HydrophobicContact CD2-CD1 4.37Å; F95-I100 HydrophobicContact CG-CD1 4.27Å
96	H	85.7	Confident	83.3	Confident	40 Å²	40	52.7 Å²	52.7	19%	0.185	27%	0.269	C	S	.	.			trans	-72.7	86.4	-180	-166.4	-46.1	0	0	0	111	K99 I100 L281 R283	H96-K99 HydrophobicContact CB-CB 4.32Å; H96-K99 HydrophobicContact CB-CD 4.4Å; H96-K99 PolarHBondContact O-N 3.01Å; H96-I100 PolarHBondContact O-N 3.42Å; H96-L281 PolarHBondContact CE1-O 3.28Å; H96-R283 HydrophobicContact CB-CG 4.32Å; H96-R283 VanDerWaalsContact CD2-CB 3.5Å; H96-R283 WeakPolarHBondContact CD2-CB 3.38Å; H96-R283 PolarHBondContact CE1-N 3.24Å; H96-R283 WeakPolarHBondContact NE2-CA 3.48Å; H96-R283 PolarHBondContact NE2-N 2.83Å; H96-R283 VanDerWaalsContact NE2-N 3.17Å
97	R	87.7	Confident	84.4	Confident	42 Å²	42	51.8 Å²	51.8	16%	0.158	25%	0.253	C	S	.	.	H	α-helix	trans	-48.2	-49.7	-170.6	-55.3	-177.1	-165.4	164.7	9.8	114.5	A93 F95 K99 I100 I101 L193 S196 Y197 D200	A93-R97 PolarHBondContact O-NE 3.2Å; F95-R97 PolarHBondContact O-N 3.47Å; R97-K99 VanDerWaalsContact C-N 3.33Å; R97-K99 PolarHBondContact O-N 3.27Å; R97-I100 PolarHBondContact O-N 3.17Å; R97-I100 VanDerWaalsContact O-N 3.16Å; R97-I101 WeakPolarHBondContact O-CG1 3.36Å; R97-I101 PolarHBondContact O-N 3.4Å; R97-L193 HydrophobicContact CB-CB 4.33Å; R97-S196 VanDerWaalsContact NH1-C 3.29Å; R97-S196 PolarHBondContact NH1-O 2.92Å; R97-S196 VanDerWaalsContact NH1-O 3.15Å; R97-S196 PolarHBondContact NH1-OG 3.44Å; R97-Y197 HydrophobicContact CB-CD2 4.28Å; R97-D200 IonicContact CZ-OD2 2.62Å; R97-D200 IonicContact NH1-OD2 3.51Å; R97-D200 PolarHBondContact NH1-OD2 2.97Å; R97-D200 IonicContact NH2-OD2 3.36Å; R97-D200 PolarHBondContact NH2-OD2 3.3Å
98	P	90.8	Very high	85.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-43	175.8	-27.3	33.2	0	0	0	114.2	F34 I100 I101 S102 Y197 F278 L281	F34-P98 HydrophobicContact CD2-CG 4.3Å; F34-P98 HydrophobicContact CE2-CB 4.4Å; F34-P98 HydrophobicContact CE2-CG 4.04Å; P98-I100 PolarHBondContact O-N 2.95Å; P98-I101 WeakPolarHBondContact O-CB 3.32Å; P98-I101 PolarHBondContact O-N 2.7Å; P98-S102 PolarHBondContact O-N 3.05Å; P98-Y197 HydrophobicContact CG-CD2 4.13Å; P98-Y197 HydrophobicContact CG-CE2 3.66Å; P98-F278 HydrophobicContact CB-CB 4.47Å; P98-F278 HydrophobicContact CB-CD1 4.34Å; P98-F278 WeakPolarHBondContact O-CB 3.3Å; P98-L281 HydrophobicContact CB-CB 4.06Å; P98-L281 HydrophobicContact CG-CB 4.27Å
99	K	92.1	Very high	86.2	Confident	86 Å²	86	44.7 Å²	44.7	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-68.4	-34.2	-179.9	-70.4	-175	-179.3	-173.3	0	112.4	H96 R97 S102 L103	H96-K99 HydrophobicContact CB-CB 4.32Å; H96-K99 HydrophobicContact CB-CD 4.4Å; H96-K99 PolarHBondContact O-N 3.01Å; R97-K99 VanDerWaalsContact C-N 3.33Å; R97-K99 PolarHBondContact O-N 3.27Å; K99-S102 WeakPolarHBondContact O-CB 3.41Å; K99-S102 PolarHBondContact O-N 2.83Å; K99-L103 PolarHBondContact O-N 2.92Å
100	I	92.6	Very high	87.5	Confident	41 Å²	41	47.7 Å²	47.7	21%	0.21	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-41.9	174.6	-63.9	-179.3	0	0	0	110.8	F95 H96 R97 P98 S102 L103 G104 P189 L193	F95-I100 HydrophobicContact CB-CD1 3.42Å; F95-I100 VanDerWaalsContact CB-CD1 3.42Å; F95-I100 HydrophobicContact CB-CG1 4.49Å; F95-I100 HydrophobicContact CD2-CD1 4.37Å; F95-I100 HydrophobicContact CG-CD1 4.27Å; H96-I100 PolarHBondContact O-N 3.42Å; R97-I100 PolarHBondContact O-N 3.17Å; R97-I100 VanDerWaalsContact O-N 3.16Å; P98-I100 PolarHBondContact O-N 2.95Å; I100-S102 VanDerWaalsContact C-N 3.27Å; I100-S102 PolarHBondContact O-N 3.39Å; I100-L103 PolarHBondContact O-N 2.86Å; I100-G104 PolarHBondContact O-N 3.25Å; I100-P189 HydrophobicContact CG2-CB 3.82Å; I100-L193 HydrophobicContact CB-CD1 3.85Å; I100-L193 HydrophobicContact CG2-CD1 3.5Å
101	I	94.1	Very high	89	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-46.1	172.6	-65.2	166.9	0	0	0	109.6	F34 R97 P98 L103 G104 C105 V190 L193 F278	F34-I101 HydrophobicContact CE2-CD1 4.17Å; F34-I101 HydrophobicContact CZ-CD1 3.96Å; R97-I101 WeakPolarHBondContact O-CG1 3.36Å; R97-I101 PolarHBondContact O-N 3.4Å; P98-I101 WeakPolarHBondContact O-CB 3.32Å; P98-I101 PolarHBondContact O-N 2.7Å; I101-L103 PolarHBondContact O-N 3.17Å; I101-G104 WeakPolarHBondContact O-CA 3.5Å; I101-G104 PolarHBondContact O-N 3.34Å; I101-C105 PolarHBondContact O-N 3.49Å; I101-C105 PolarHBondContact O-SG 3.41Å; I101-V190 HydrophobicContact CG2-CG2 4.42Å; I101-L193 HydrophobicContact CD1-CB 3.95Å; I101-L193 HydrophobicContact CG1-CB 3.84Å; I101-L193 HydrophobicContact CG1-CD1 4.49Å; I101-F278 HydrophobicContact CG2-CD1 4.23Å; I101-F278 HydrophobicContact CG2-CD2 4.19Å; I101-F278 HydrophobicContact CG2-CE1 3.93Å; I101-F278 HydrophobicContact CG2-CE2 3.89Å; I101-F278 HydrophobicContact CG2-CG 4.35Å; I101-F278 HydrophobicContact CG2-CZ 3.73Å
102	S	95	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-47.6	177	-165	0	0	0	0	113	P98 K99 I100 G104 C105 L106 A275 W279	P98-S102 PolarHBondContact O-N 3.05Å; K99-S102 WeakPolarHBondContact O-CB 3.41Å; K99-S102 PolarHBondContact O-N 2.83Å; I100-S102 VanDerWaalsContact C-N 3.27Å; I100-S102 PolarHBondContact O-N 3.39Å; S102-G104 VanDerWaalsContact C-N 3.26Å; S102-G104 PolarHBondContact O-N 3.47Å; S102-C105 WeakPolarHBondContact O-CB 3.42Å; S102-C105 PolarHBondContact O-N 3.46Å; S102-C105 VanDerWaalsContact O-N 3.12Å; S102-L106 WeakPolarHBondContact O-CG 3.45Å; S102-L106 PolarHBondContact O-N 3.17Å; S102-A275 PolarHBondContact OG-O 3.04Å; S102-W279 PolarHBondContact OG-NE1 3.35Å
103	L	95.4	Very high	91.8	Very high	111 Å²	111	43 Å²	43	58%	0.581	21%	0.206	S	C	*	.	H	α-helix	trans	-59.7	-39.1	176.3	-177.9	62.5	0	0	0	111.6	K99 I100 I101 L106 L107	K99-L103 PolarHBondContact O-N 2.92Å; I100-L103 PolarHBondContact O-N 2.86Å; I101-L103 PolarHBondContact O-N 3.17Å; L103-L106 PolarHBondContact O-N 3.43Å; L103-L107 WeakPolarHBondContact O-CB 3.33Å; L103-L107 PolarHBondContact O-N 3.41Å
104	G	95.4	Very high	93.2	Very high	6 Å²	6	42.3 Å²	42.3	6%	0.062	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-48.1	171.7	0	0	0	0	0	112.6	I100 I101 S102 L106 L107 M108 G186	I100-G104 PolarHBondContact O-N 3.25Å; I101-G104 WeakPolarHBondContact O-CA 3.5Å; I101-G104 PolarHBondContact O-N 3.34Å; S102-G104 VanDerWaalsContact C-N 3.26Å; S102-G104 PolarHBondContact O-N 3.47Å; G104-L106 VanDerWaalsContact C-N 3.34Å; G104-L106 PolarHBondContact O-N 3.17Å; G104-L107 PolarHBondContact O-N 3.33Å; G104-M108 WeakPolarHBondContact O-CB 3.29Å; G104-M108 PolarHBondContact O-N 3.16Å; G104-G186 CarbonylContact C-O 3.16Å; G104-G186 VanDerWaalsContact CA-O 3.22Å; G104-G186 WeakPolarHBondContact CA-O 3.39Å; G104-G186 CarbonylContact O-C 3.43Å; G104-G186 WeakPolarHBondContact O-CA 3.22Å
105	C	97.1	Very high	94.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-40	175.6	-68.6	0	0	0	0	112.5	I101 S102 M108 S109 T271 A275	I101-C105 PolarHBondContact O-N 3.49Å; I101-C105 PolarHBondContact O-SG 3.41Å; S102-C105 WeakPolarHBondContact O-CB 3.42Å; S102-C105 PolarHBondContact O-N 3.46Å; S102-C105 VanDerWaalsContact O-N 3.12Å; C105-M108 PolarHBondContact O-N 3.19Å; C105-S109 WeakPolarHBondContact O-CB 3.49Å; C105-S109 PolarHBondContact O-N 3.32Å; C105-T271 WeakPolarHBondContact O-CG2 3.16Å; C105-A275 HydrophobicContact CB-CB 3.64Å
106	L	97.6	Very high	95.1	Very high	58 Å²	58	30.7 Å²	30.7	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-62	-46.7	174.5	-69.2	178.4	0	0	0	111.5	S102 L103 G104 M108 S109 F110 L272 A275 W279	S102-L106 WeakPolarHBondContact O-CG 3.45Å; S102-L106 PolarHBondContact O-N 3.17Å; L103-L106 PolarHBondContact O-N 3.43Å; G104-L106 VanDerWaalsContact C-N 3.34Å; G104-L106 PolarHBondContact O-N 3.17Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 3.47Å; L106-S109 PolarHBondContact O-N 3.18Å; L106-F110 WeakPolarHBondContact O-CB 3.34Å; L106-F110 PolarHBondContact O-N 3.33Å; L106-L272 HydrophobicContact CD2-CD1 3.39Å; L106-A275 HydrophobicContact CD2-CB 3.8Å; L106-A275 HydrophobicContact CG-CB 3.97Å; L106-W279 HydrophobicContact CD1-CZ2 4.15Å
107	L	97.1	Very high	95.5	Very high	57 Å²	57	32 Å²	32	30%	0.298	16%	0.155	S	C	.	.	H	α-helix	trans	-64.4	-39.2	178	-171.2	64.9	0	0	0	111.8	L103 G104 F110 G111 L182 I185	L103-L107 WeakPolarHBondContact O-CB 3.33Å; L103-L107 PolarHBondContact O-N 3.41Å; G104-L107 PolarHBondContact O-N 3.33Å; L107-F110 PolarHBondContact O-N 3.25Å; L107-G111 PolarHBondContact O-N 3.33Å; L107-L182 HydrophobicContact CD1-CD2 4.06Å; L107-I185 HydrophobicContact CD2-CB 4.03Å; L107-I185 HydrophobicContact CD2-CG2 3.44Å; L107-I185 VanDerWaalsContact CD2-CG2 3.44Å
108	M	96.8	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-42.7	175.8	-171.2	171.5	66	0	0	111.8	K45 G104 C105 L106 T112 R183 E187 T271	K45-M108 HydrophobicContact CB-CE 3.68Å; K45-M108 HydrophobicContact CB-SD 3.82Å; G104-M108 WeakPolarHBondContact O-CB 3.29Å; G104-M108 PolarHBondContact O-N 3.16Å; C105-M108 PolarHBondContact O-N 3.19Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 3.47Å; M108-T112 PolarHBondContact O-N 2.95Å; M108-T112 PolarHBondContact O-OG1 3.36Å; M108-R183 HydrophobicContact CG-CB 4.48Å; M108-R183 HydrophobicContact CG-CG 3.6Å; M108-R183 HydrophobicContact SD-CG 4.46Å; M108-E187 HydrophobicContact SD-CB 4.19Å; M108-E187 HydrophobicContact SD-CG 4.47Å; M108-T271 HydrophobicContact CB-CG2 4.12Å; M108-T271 HydrophobicContact CE-CG2 3.23Å; M108-T271 HydrophobicContact CG-CG2 4.15Å
109	S	98	Very high	95.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-46.9	174.1	178.1	0	0	0	0	111.4	C105 L106 G111 T112 F113 G268 L272	C105-S109 WeakPolarHBondContact O-CB 3.49Å; C105-S109 PolarHBondContact O-N 3.32Å; L106-S109 PolarHBondContact O-N 3.18Å; S109-G111 PolarHBondContact O-N 3.49Å; S109-T112 WeakPolarHBondContact O-CA 3.49Å; S109-T112 WeakPolarHBondContact O-CB 3.33Å; S109-T112 PolarHBondContact O-N 3.37Å; S109-F113 VanDerWaalsContact O-CD2 3.29Å; S109-F113 WeakPolarHBondContact O-CD2 3.22Å; S109-F113 PolarHBondContact O-N 3.43Å; S109-F113 WeakPolarHBondContact OG-CE2 3.4Å; S109-G268 PolarHBondContact OG-O 3.43Å; S109-L272 WeakPolarHBondContact OG-CB 3.26Å
110	F	98.1	Very high	95.6	Very high	119 Å²	119	32.3 Å²	32.3	52%	0.522	16%	0.158	S	C	.	.	H	α-helix	trans	-58.8	-45.9	176.7	-178	-112.6	0	0	0	112.4	L106 L107 T112 F113 I114 L182	L106-F110 WeakPolarHBondContact O-CB 3.34Å; L106-F110 PolarHBondContact O-N 3.33Å; L107-F110 PolarHBondContact O-N 3.25Å; F110-T112 VanDerWaalsContact C-N 3.26Å; F110-T112 PolarHBondContact O-N 3.44Å; F110-F113 PolarHBondContact O-N 3.31Å; F110-I114 HydrophobicContact CD1-CD1 3.74Å; F110-I114 HydrophobicContact CE1-CD1 3.34Å; F110-I114 HydrophobicContact CE1-CG1 4.32Å; F110-I114 HydrophobicContact CE2-CD1 4.37Å; F110-I114 HydrophobicContact CG-CD1 4.43Å; F110-I114 HydrophobicContact CZ-CD1 3.69Å; F110-I114 HydrophobicContact CZ-CG1 4.29Å; F110-I114 WeakPolarHBondContact O-CG1 3.48Å; F110-I114 PolarHBondContact O-N 3.42Å; F110-L182 HydrophobicContact CD1-CD1 4.34Å; F110-L182 HydrophobicContact CE1-CD1 4.4Å
111	G	97.9	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-38.7	172.8	0	0	0	0	0	112.7	L107 S109 I114 I115 G179	L107-G111 PolarHBondContact O-N 3.33Å; S109-G111 PolarHBondContact O-N 3.49Å; G111-I114 PolarHBondContact O-N 2.91Å; G111-I115 WeakPolarHBondContact O-CG1 3.47Å; G111-I115 PolarHBondContact O-N 3.44Å; G111-I115 VanDerWaalsContact O-N 3.11Å; G111-G179 CarbonylContact C-O 3.47Å; G111-G179 WeakPolarHBondContact CA-O 3.3Å; G111-G179 CarbonylContact O-C 3.56Å; G111-G179 VanDerWaalsContact O-CA 3.22Å; G111-G179 WeakPolarHBondContact O-CA 3.43Å
112	T	97.8	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-38.6	176.8	-50.6	0	0	0	0	112.1	M108 S109 F110 I115 A116 Y264 A267	M108-T112 PolarHBondContact O-N 2.95Å; M108-T112 PolarHBondContact O-OG1 3.36Å; S109-T112 WeakPolarHBondContact O-CA 3.49Å; S109-T112 WeakPolarHBondContact O-CB 3.33Å; S109-T112 PolarHBondContact O-N 3.37Å; F110-T112 VanDerWaalsContact C-N 3.26Å; F110-T112 PolarHBondContact O-N 3.44Å; T112-I115 WeakPolarHBondContact O-CB 3.37Å; T112-I115 PolarHBondContact O-N 3.12Å; T112-A116 PolarHBondContact O-N 2.85Å; T112-Y264 HydrophobicContact CG2-CD1 3.9Å; T112-Y264 VanDerWaalsContact CG2-O 3.26Å; T112-Y264 WeakPolarHBondContact CG2-O 3.26Å; T112-A267 HydrophobicContact CG2-CB 4.32Å
113	F	98.1	Very high	93.9	Very high	64 Å²	64	39.3 Å²	39.3	28%	0.281	21%	0.207	S	C	.	.	H	α-helix	trans	-68.7	-36.5	173.9	-65.6	-49.8	0	0	0	112.7	S109 F110 I115 A116 L117 L265 G268 V269	S109-F113 VanDerWaalsContact O-CD2 3.29Å; S109-F113 WeakPolarHBondContact O-CD2 3.22Å; S109-F113 PolarHBondContact O-N 3.43Å; S109-F113 WeakPolarHBondContact OG-CE2 3.4Å; F110-F113 PolarHBondContact O-N 3.31Å; F113-I115 PolarHBondContact O-N 2.92Å; F113-A116 PolarHBondContact O-N 3.17Å; F113-A116 VanDerWaalsContact O-N 3.08Å; F113-L117 PolarHBondContact O-N 3.1Å; F113-L265 HydrophobicContact CD1-CD2 3.85Å; F113-L265 HydrophobicContact CE1-CD2 4.26Å; F113-G268 VanDerWaalsContact CZ-C 3.48Å; F113-V269 HydrophobicContact CE1-CG2 4.18Å; F113-V269 HydrophobicContact CZ-CG2 3.98Å
114	I	97.3	Very high	93.2	Very high	20 Å²	20	41.9 Å²	41.9	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-36.5	172.9	-71.3	168.9	0	0	0	111.1	F110 G111 A116 L117 P118 Y175 L182	F110-I114 HydrophobicContact CD1-CD1 3.74Å; F110-I114 HydrophobicContact CE1-CD1 3.34Å; F110-I114 HydrophobicContact CE1-CG1 4.32Å; F110-I114 HydrophobicContact CE2-CD1 4.37Å; F110-I114 HydrophobicContact CG-CD1 4.43Å; F110-I114 HydrophobicContact CZ-CD1 3.69Å; F110-I114 HydrophobicContact CZ-CG1 4.29Å; F110-I114 WeakPolarHBondContact O-CG1 3.48Å; F110-I114 PolarHBondContact O-N 3.42Å; G111-I114 PolarHBondContact O-N 2.91Å; I114-A116 VanDerWaalsContact C-N 3.29Å; I114-A116 PolarHBondContact O-N 2.62Å; I114-L117 VanDerWaalsContact O-CB 3.3Å; I114-L117 WeakPolarHBondContact O-CB 3.24Å; I114-L117 PolarHBondContact O-N 3.32Å; I114-P118 WeakPolarHBondContact O-CD 3.4Å; I114-Y175 HydrophobicContact CG2-CD1 4.39Å; I114-Y175 WeakPolarHBondContact CG2-O 3.41Å; I114-L182 HydrophobicContact CD1-CD1 3.43Å; I114-L182 VanDerWaalsContact CD1-CD1 3.43Å
115	I	96.6	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-39.6	174.7	-65.5	165.5	0	0	0	111.1	M52 G111 T112 F113 P118 V176 N180 W260 Y264	M52-I115 HydrophobicContact CE-CD1 3.7Å; G111-I115 WeakPolarHBondContact O-CG1 3.47Å; G111-I115 PolarHBondContact O-N 3.44Å; G111-I115 VanDerWaalsContact O-N 3.11Å; T112-I115 WeakPolarHBondContact O-CB 3.37Å; T112-I115 PolarHBondContact O-N 3.12Å; F113-I115 PolarHBondContact O-N 2.92Å; I115-P118 VanDerWaalsContact O-CD 3.22Å; I115-P118 WeakPolarHBondContact O-CD 3.39Å; I115-V176 HydrophobicContact CG2-CG1 3.96Å; I115-V176 HydrophobicContact CG2-CG2 4.43Å; I115-N180 HydrophobicContact CD1-CB 4.26Å; I115-W260 VanDerWaalsContact O-CZ3 3.3Å; I115-W260 WeakPolarHBondContact O-CZ3 3.31Å; I115-Y264 HydrophobicContact CB-CD1 4.19Å; I115-Y264 HydrophobicContact CB-CE1 4.34Å; I115-Y264 HydrophobicContact CB-CG 4.31Å; I115-Y264 HydrophobicContact CD1-CD1 4.36Å; I115-Y264 HydrophobicContact CD1-CE1 4.08Å; I115-Y264 HydrophobicContact CG2-CD1 3.81Å; I115-Y264 HydrophobicContact CG2-CD2 3.62Å; I115-Y264 HydrophobicContact CG2-CE1 3.64Å; I115-Y264 HydrophobicContact CG2-CE2 3.49Å; I115-Y264 VanDerWaalsContact CG2-CE2 3.49Å; I115-Y264 HydrophobicContact CG2-CG 3.81Å; I115-Y264 VanDerWaalsContact CG2-CZ 3.49Å
116	A	96.4	Very high	91.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-74.3	-26	179	0	0	0	0	0	113.6	T112 F113 I114 H119 W261 L265	T112-A116 PolarHBondContact O-N 2.85Å; F113-A116 PolarHBondContact O-N 3.17Å; F113-A116 VanDerWaalsContact O-N 3.08Å; I114-A116 VanDerWaalsContact C-N 3.29Å; I114-A116 PolarHBondContact O-N 2.62Å; A116-H119 PolarHBondContact O-N 2.94Å; A116-H119 VanDerWaalsContact O-N 3.17Å; A116-W261 HydrophobicContact CB-CB 4.38Å; A116-L265 HydrophobicContact CB-CD2 3.83Å; A116-L265 HydrophobicContact CB-CG 4.26Å
117	L	94	Very high	90.7	Very high	67 Å²	67	48.1 Å²	48.1	35%	0.351	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-42.4	-172.6	-176.7	65.5	0	0	0	115	F113 I114 H119 F120 I121 Y175	F113-L117 PolarHBondContact O-N 3.1Å; I114-L117 VanDerWaalsContact O-CB 3.3Å; I114-L117 WeakPolarHBondContact O-CB 3.24Å; I114-L117 PolarHBondContact O-N 3.32Å; L117-H119 PolarHBondContact O-N 3.35Å; L117-H119 VanDerWaalsContact O-N 3.08Å; L117-F120 PolarHBondContact O-N 2.96Å; L117-I121 HydrophobicContact CD1-CD1 4.08Å; L117-I121 HydrophobicContact CD1-CG1 4.32Å; L117-I121 HydrophobicContact CD2-CD1 3.92Å; L117-I121 HydrophobicContact CG-CD1 3.61Å; L117-I121 HydrophobicContact CG-CG1 4.22Å; L117-I121 PolarHBondContact O-N 3.33Å; L117-Y175 HydrophobicContact CD2-CD1 4.45Å; L117-Y175 HydrophobicContact CD2-CE1 4.48Å
118	P	91.9	Very high	89.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-27.9	-178.1	-28.2	38.2	0	0	0	113.9	F63 I114 I115 F120 I121 I122 M172 Y175 V176 W260	F63-P118 HydrophobicContact CE1-CB 4.08Å; F63-P118 HydrophobicContact CZ-CB 3.91Å; F63-P118 HydrophobicContact CZ-CG 4.35Å; I114-P118 WeakPolarHBondContact O-CD 3.4Å; I115-P118 VanDerWaalsContact O-CD 3.22Å; I115-P118 WeakPolarHBondContact O-CD 3.39Å; P118-F120 PolarHBondContact O-N 3.38Å; P118-I121 PolarHBondContact O-N 2.86Å; P118-I122 HydrophobicContact CB-CD1 3.87Å; P118-I122 VanDerWaalsContact O-CB 3.23Å; P118-I122 WeakPolarHBondContact O-CB 3.28Å; P118-I122 WeakPolarHBondContact O-CD1 3.22Å; P118-I122 WeakPolarHBondContact O-CG1 3.48Å; P118-I122 PolarHBondContact O-N 2.89Å; P118-M172 HydrophobicContact CB-CB 4.38Å; P118-Y175 HydrophobicContact CG-CD2 4.13Å; P118-Y175 HydrophobicContact CG-CG 4.17Å; P118-V176 HydrophobicContact CG-CG2 4.47Å; P118-W260 HydrophobicContact CB-CH2 4.41Å
119	H	90	Very high	88.1	Confident	15 Å²	15	50.1 Å²	50.1	7%	0.069	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-34.9	177	178.3	67.1	0	0	0	112.4	A116 L117 V237 D238 W260 W261	A116-H119 PolarHBondContact O-N 2.94Å; A116-H119 VanDerWaalsContact O-N 3.17Å; L117-H119 PolarHBondContact O-N 3.35Å; L117-H119 VanDerWaalsContact O-N 3.08Å; H119-V237 PolarHBondContact CE1-O 2.96Å; H119-D238 IonicContact CE1-OD1 3.1Å; H119-D238 PolarHBondContact CE1-OD1 2.89Å; H119-W260 HydrophobicContact CB-CH2 4.1Å; H119-W260 HydrophobicContact CB-CZ2 3.93Å; H119-W261 HydrophobicContact CB-CB 3.67Å; H119-W261 HydrophobicContact CB-CG 3.79Å; H119-W261 AromaticContact CD2-CD1 3.31Å; H119-W261 AromaticContact CD2-CD2 3.5Å; H119-W261 VanDerWaalsContact CD2-CD2 3.5Å; H119-W261 AromaticContact CD2-CE2 3.44Å; H119-W261 VanDerWaalsContact CD2-CE2 3.44Å; H119-W261 AromaticContact CD2-CG 3.44Å; H119-W261 VanDerWaalsContact CD2-CG 3.44Å; H119-W261 AromaticContact CD2-NE1 3.31Å; H119-W261 PolarHBondContact CD2-NE1 2.94Å; H119-W261 VanDerWaalsContact CD2-NE1 3.31Å; H119-W261 AromaticContact CE1-CD1 3.6Å; H119-W261 AromaticContact CE1-NE1 3.33Å; H119-W261 PolarHBondContact CE1-NE1 3.35Å; H119-W261 VanDerWaalsContact CE1-NE1 3.33Å; H119-W261 AromaticContact CG-CD1 3.22Å; H119-W261 AromaticContact CG-CG 3.49Å; H119-W261 VanDerWaalsContact CG-CG 3.49Å; H119-W261 AromaticContact CG-NE1 3.66Å; H119-W261 AromaticContact ND1-CD1 3.41Å; H119-W261 AromaticContact ND1-NE1 3.67Å; H119-W261 AromaticContact NE2-CD1 3.54Å; H119-W261 AromaticContact NE2-CD2 3.97Å; H119-W261 AromaticContact NE2-CE2 3.37Å; H119-W261 AromaticContact NE2-CZ2 3.84Å; H119-W261 AromaticContact NE2-NE1 3.07Å; H119-W261 PolarHBondContact NE2-NE1 3.2Å
120	F	90.1	Very high	86.4	Confident	119 Å²	119	51.1 Å²	51.1	52%	0.522	25%	0.251	S	S	.	.	H	α-helix	trans	-84.7	-19.7	-178.4	-57.7	-73.7	0	0	0	113.3	L117 P118 W261 L265	L117-F120 PolarHBondContact O-N 2.96Å; P118-F120 PolarHBondContact O-N 3.38Å; F120-W261 HydrophobicContact CE1-CE3 4.39Å; F120-W261 HydrophobicContact CE1-CZ3 4.31Å; F120-W261 HydrophobicContact CE2-CE3 4.25Å; F120-W261 HydrophobicContact CZ-CD2 4.3Å; F120-W261 AromaticContact CZ-CE3 3.58Å; F120-W261 HydrophobicContact CZ-CE3 3.58Å; F120-W261 AromaticContact CZ-CZ3 3.76Å; F120-W261 HydrophobicContact CZ-CZ3 3.76Å; F120-L265 HydrophobicContact CE2-CD1 4.43Å; F120-L265 HydrophobicContact CZ-CD1 4.05Å
121	I	87.7	Confident	84.6	Confident	89 Å²	89	45.9 Å²	45.9	46%	0.456	23%	0.229	S	C	.	.	H	α-helix	trans	-90.4	-40.8	178	-58.9	177.8	0	0	0	110.6	L117 P118 M172	L117-I121 HydrophobicContact CD1-CD1 4.08Å; L117-I121 HydrophobicContact CD1-CG1 4.32Å; L117-I121 HydrophobicContact CD2-CD1 3.92Å; L117-I121 HydrophobicContact CG-CD1 3.61Å; L117-I121 HydrophobicContact CG-CG1 4.22Å; L117-I121 PolarHBondContact O-N 3.33Å; P118-I121 PolarHBondContact O-N 2.86Å; I121-M172 HydrophobicContact CG2-CE 3.73Å; I121-M172 HydrophobicContact CG2-SD 4.42Å
122	I	81.3	Confident	82.5	Confident	47 Å²	47	55.3 Å²	55.3	24%	0.241	26%	0.264	C	S	.	.	S	Bend	trans	-76.7	138.5	179.9	-58.7	165.5	0	0	0	108.5	F63 P118 M172	F63-I122 HydrophobicContact CD1-CD1 4.38Å; F63-I122 HydrophobicContact CE1-CD1 3.67Å; P118-I122 HydrophobicContact CB-CD1 3.87Å; P118-I122 VanDerWaalsContact O-CB 3.23Å; P118-I122 WeakPolarHBondContact O-CB 3.28Å; P118-I122 WeakPolarHBondContact O-CD1 3.22Å; P118-I122 WeakPolarHBondContact O-CG1 3.48Å; P118-I122 PolarHBondContact O-N 2.89Å; I122-M172 HydrophobicContact CD1-CB 3.62Å; I122-M172 HydrophobicContact CD1-CG 3.7Å; I122-M172 HydrophobicContact CG1-CB 4.2Å; I122-M172 HydrophobicContact CG1-CE 4.18Å; I122-M172 HydrophobicContact CG1-CG 3.71Å; I122-M172 HydrophobicContact CG1-SD 4.12Å
123	G	77.3	Confident	80.2	Confident	53 Å²	53	60.8 Å²	60.8	55%	0.546	29%	0.285	S	S	.	.			trans	-55.9	177.2	170.8	0	0	0	0	0	113.6	R62	R62-G123 PolarHBondContact NH2-O 3.3Å
124	R	81.8	Confident	77.5	Confident	165 Å²	165	62.1 Å²	62.1	62%	0.623	30%	0.298	S	S	*	.			trans	-52.9	147.8	-179.5	-65.6	-179.5	-178.4	161.5	0.4	111.5	E126	R124-E126 PolarHBondContact O-N 3.22Å; R124-E126 VanDerWaalsContact O-N 3.15Å
125	Y	82.6	Confident	74.8	Confident	21 Å²	21	67.7 Å²	67.7	8%	0.082	33%	0.333	C	S	.	.			trans	-71.1	109.6	175.5	178.5	-117.4	0	0	0	110.1	R62 F127 Y236 V237 D238 R255 V257	R62-Y125 VanDerWaalsContact NH1-CA 3.3Å; Y125-F127 HydrophobicContact CD1-CD1 4.49Å; Y125-F127 HydrophobicContact CE1-CB 3.94Å; Y125-F127 HydrophobicContact CE1-CD1 4.34Å; Y125-Y236 HydrophobicContact CD1-CE2 4.36Å; Y125-V237 HydrophobicContact CD1-CG1 3.76Å; Y125-V237 HydrophobicContact CG-CG1 3.89Å; Y125-D238 WeakPolarHBondContact CB-OD2 3.44Å; Y125-D238 PolarHBondContact N-OD2 3.34Å; Y125-R255 WeakPolarHBondContact CE1-O 3.4Å; Y125-R255 PolarHBondContact OH-O 3.16Å; Y125-V257 HydrophobicContact CD1-CB 4.23Å; Y125-V257 HydrophobicContact CD1-CG2 4.3Å; Y125-V257 HydrophobicContact CD2-CG2 4.44Å; Y125-V257 HydrophobicContact CE1-CB 3.96Å; Y125-V257 HydrophobicContact CE1-CG2 3.66Å; Y125-V257 HydrophobicContact CE2-CG2 3.81Å; Y125-V257 WeakPolarHBondContact OH-CG2 3.34Å
126	E	76.2	Confident	71.9	Confident	131 Å²	131	75.2 Å²	75.2	61%	0.612	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-96.6	119.4	172.4	-68.4	179.5	-174.1	0	0	108.5	R124 R606	R124-E126 PolarHBondContact O-N 3.22Å; R124-E126 VanDerWaalsContact O-N 3.15Å; E126-R606 IonicContact OE2-CZ 2.71Å; E126-R606 IonicContact OE2-NH1 2.66Å; E126-R606 IonicContact OE2-NH2 3.19Å; E126-R606 PolarHBondContact OE2-NH2 3.41Å
127	F	77.3	Confident	69.1	Low	42 Å²	42	78.5 Å²	78.5	18%	0.184	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-101.9	150.8	171.5	59.1	-84.6	0	0	0	109.6	Y125 T129 Y236 I247 I249 R255	Y125-F127 HydrophobicContact CD1-CD1 4.49Å; Y125-F127 HydrophobicContact CE1-CB 3.94Å; Y125-F127 HydrophobicContact CE1-CD1 4.34Å; F127-T129 HydrophobicContact CE2-CG2 4.34Å; F127-T129 PolarHBondContact O-N 2.97Å; F127-Y236 WeakPolarHBondContact CD1-OH 3.49Å; F127-Y236 WeakPolarHBondContact CE1-OH 3.44Å; F127-I247 HydrophobicContact CZ-CG2 4.33Å; F127-I249 HydrophobicContact CD1-CD1 4.21Å; F127-I249 HydrophobicContact CD2-CD1 4.33Å; F127-I249 HydrophobicContact CD2-CG2 4.28Å; F127-I249 HydrophobicContact CE1-CD1 4.31Å; F127-I249 HydrophobicContact CE2-CD1 4.42Å; F127-I249 HydrophobicContact CE2-CG1 4.42Å; F127-I249 HydrophobicContact CE2-CG2 4.1Å; F127-I249 HydrophobicContact CG-CD1 4.22Å; F127-I249 HydrophobicContact CZ-CD1 4.41Å; F127-I249 HydrophobicContact CZ-CG1 4.35Å; F127-R255 HydrophobicContact CB-CB 4.37Å
128	E	70.6	Confident	66.5	Low	60 Å²	60	82.3 Å²	82.3	28%	0.28	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.4	123.1	175.6	-69.3	175.6	-169.7	0	0	109.8	R255 E473 W474	E128-R255 PolarHBondContact O-NH1 3.07Å; E128-E473 WeakPolarHBondContact OE2-CA 3.44Å; E128-W474 PolarHBondContact OE2-N 3.3Å
129	T	69.9	Low	64.2	Low	40 Å²	40	92.2 Å²	92.2	25%	0.245	46%	0.461	C	S	.	.			trans	-146.2	134.5	172.8	-174.1	0	0	0	0	110	F127 V131 D475	F127-T129 HydrophobicContact CE2-CG2 4.34Å; F127-T129 PolarHBondContact O-N 2.97Å; T129-V131 PolarHBondContact O-N 3.14Å; T129-V131 PolarHBondContact OG1-N 3.38Å; T129-D475 WeakPolarHBondContact CA-OD2 3.35Å
130	S	61.8	Low	62.4	Low	21 Å²	21	96.5 Å²	96.5	15%	0.147	48%	0.484	C	S	.	.	S	Bend	trans	-76	-11.7	176.1	58.2	0	0	0	0	112.8	R132 D475 P488	S130-R132 PolarHBondContact O-N 2.96Å; S130-D475 WeakPolarHBondContact CB-OD2 3.48Å; S130-D475 PolarHBondContact N-OD2 3.38Å; S130-D475 PolarHBondContact OG-OD2 2.71Å; S130-P488 WeakPolarHBondContact OG-CD 3.43Å; S130-P488 WeakPolarHBondContact OG-CG 3.37Å
131	V	60.1	Low	60.8	Low	10 Å²	10	93.7 Å²	93.7	6%	0.061	48%	0.48	C	S	.	.			trans	-96.5	92.2	179.4	-165.3	0	0	0	0	109.7	T129 W133 T503 F505	T129-V131 PolarHBondContact O-N 3.14Å; T129-V131 PolarHBondContact OG1-N 3.38Å; V131-W133 HydrophobicContact CB-CH2 4.47Å; V131-W133 HydrophobicContact CB-CZ2 4.13Å; V131-W133 HydrophobicContact CG1-CD2 3.84Å; V131-W133 HydrophobicContact CG1-CE3 3.79Å; V131-W133 HydrophobicContact CG1-CH2 3.31Å; V131-W133 HydrophobicContact CG1-CZ2 3.31Å; V131-W133 HydrophobicContact CG1-CZ3 3.54Å; V131-T503 HydrophobicContact CG2-CG2 4.43Å; V131-F505 HydrophobicContact CG2-CE1 3.83Å; V131-F505 HydrophobicContact CG2-CZ 3.53Å
132	R	53.8	Low	59.8	Low	198 Å²	198	91.2 Å²	91.2	75%	0.747	47%	0.47	S	S	*	.			trans	-90.3	101.3	173.3	-69.4	-175.1	175.9	-176.6	-0.6	110.1	S130 V134	S130-R132 PolarHBondContact O-N 2.96Å; R132-V134 PolarHBondContact O-N 3.04Å
133	W	50.3	Low	59.4	Low	115 Å²	115	89.9 Å²	89.9	44%	0.436	46%	0.464	S	S	.	.			trans	-73.7	94.5	168.1	-31.7	99.3	0	0	0	108.5	V131 V135	V131-W133 HydrophobicContact CB-CH2 4.47Å; V131-W133 HydrophobicContact CB-CZ2 4.13Å; V131-W133 HydrophobicContact CG1-CD2 3.84Å; V131-W133 HydrophobicContact CG1-CE3 3.79Å; V131-W133 HydrophobicContact CG1-CH2 3.31Å; V131-W133 HydrophobicContact CG1-CZ2 3.31Å; V131-W133 HydrophobicContact CG1-CZ3 3.54Å; W133-V135 PolarHBondContact O-N 3.44Å
134	V	40.8	Very low	59.3	Low	92 Å²	92	87.9 Å²	87.9	56%	0.558	44%	0.442	S	S	*	.			trans	-72.7	112.5	167.2	-179.4	0	0	0	0	106.6	R132 N136 S137	R132-V134 PolarHBondContact O-N 3.04Å; V134-N136 PolarHBondContact O-N 2.76Å; V134-S137 PolarHBondContact O-N 2.92Å; V134-S137 VanDerWaalsContact O-N 3.13Å
135	V	39.9	Very low	58.5	Low	136 Å²	136	85.3 Å²	85.3	82%	0.824	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-2.8	-169.7	176.3	0	0	0	0	114.4	W133	W133-V135 PolarHBondContact O-N 3.44Å
136	N	36.1	Very low	57.2	Low	159 Å²	159	86.1 Å²	86.1	85%	0.85	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	16	178.9	-91.6	-6.2	0	0	0	115.1	V134	V134-N136 PolarHBondContact O-N 2.76Å
137	S	37.1	Very low	55.6	Low	68 Å²	68	86.5 Å²	86.5	48%	0.476	46%	0.458	S	S	.	.			trans	-126.5	125.1	-178.8	-55.4	0	0	0	0	111.6	V134 Y139	V134-S137 PolarHBondContact O-N 2.92Å; V134-S137 VanDerWaalsContact O-N 3.13Å; S137-Y139 PolarHBondContact O-N 2.97Å; S137-Y139 VanDerWaalsContact O-N 3.09Å
138	T	40.9	Very low	53.9	Low	148 Å²	148	88.3 Å²	88.3	91%	0.908	48%	0.48	S	S	*	.	S	Bend	trans	-70.1	6.4	171.7	-28.8	0	0	0	0	113
139	Y	42.3	Very low	52.5	Low	207 Å²	207	92.8 Å²	92.8	81%	0.812	51%	0.505	S	S	*	.			trans	-97.8	109	179.6	-81.5	-88.5	0	0	0	109.8	S137 S141	S137-Y139 PolarHBondContact O-N 2.97Å; S137-Y139 VanDerWaalsContact O-N 3.09Å; Y139-S141 PolarHBondContact O-N 3.32Å; Y139-S141 VanDerWaalsContact O-N 3.12Å
140	N	52.7	Low	50.8	Low	105 Å²	105	94 Å²	94	56%	0.561	53%	0.526	S	S	*	.			trans	-61.5	111.2	162.9	-71.1	-3.9	0	0	0	107.3	S142 S496	N140-S142 PolarHBondContact O-N 2.97Å; N140-S142 VanDerWaalsContact O-N 3.11Å; N140-S496 PolarHBondContact ND2-O 3.48Å
141	S	56	Low	49.6	Very low	61 Å²	61	100.8 Å²	100.8	43%	0.427	56%	0.56	S	S	.	*			trans	-58.6	118.8	172.1	-162.4	0	0	0	0	107.9	Y139	Y139-S141 PolarHBondContact O-N 3.32Å; Y139-S141 VanDerWaalsContact O-N 3.12Å
142	S	67.4	Low	48.1	Very low	36 Å²	36	107.7 Å²	107.7	25%	0.252	59%	0.592	S	S	.	*			trans	-63	127.1	178.5	51.4	0	0	0	0	109.2	N140 C144 T494	N140-S142 PolarHBondContact O-N 2.97Å; N140-S142 VanDerWaalsContact O-N 3.11Å; S142-C144 WeakPolarHBondContact CB-O 3.33Å; S142-C144 PolarHBondContact O-N 3.02Å; S142-C144 PolarHBondContact OG-O 3.08Å; S142-T494 WeakPolarHBondContact CA-O 3.26Å; S142-T494 VanDerWaalsContact CB-O 3.23Å; S142-T494 WeakPolarHBondContact CB-O 3.39Å
143	P	73.6	Confident	47.1	Very low	19 Å²	19	105.1 Å²	105.1	12%	0.123	60%	0.601	C	S	.	*	S	Bend	trans	-61.8	-29.7	178.3	-20.6	30.7	0	0	0	113	P488 C489 F505	P143-P488 HydrophobicContact CB-CB 3.87Å; P143-P488 HydrophobicContact CG-CB 4.33Å; P143-C489 WeakPolarHBondContact O-CB 3.45Å; P143-C489 PolarHBondContact O-SG 3.37Å; P143-F505 HydrophobicContact CG-CD1 3.83Å; P143-F505 HydrophobicContact CG-CE1 3.82Å
144	C	74.3	Confident	46.1	Very low	12 Å²	12	102.8 Å²	102.8	8%	0.081	61%	0.613	C	S	.	*	S	Bend	trans	-106.8	106.1	166.6	173.2	0	0	0	0	109	S142 G146 C467 C493 T494	S142-C144 WeakPolarHBondContact CB-O 3.33Å; S142-C144 PolarHBondContact O-N 3.02Å; S142-C144 PolarHBondContact OG-O 3.08Å; C144-G146 PolarHBondContact O-N 3.35Å; C144-C467 HydrophobicContact CB-CB 3.81Å; C144-C467 WeakPolarHBondContact CB-SG 3.26Å; C144-C467 VanDerWaalsContact SG-CA 3.58Å; C144-C467 WeakPolarHBondContact SG-CB 3.42Å; C144-C467 CovalentContact SG-SG 2.02Å; C144-C467 PolarHBondContact SG-SG 3.04Å; C144-C493 VanDerWaalsContact CB-O 3.28Å; C144-C493 WeakPolarHBondContact CB-O 3.43Å; C144-C493 PolarHBondContact N-O 3.18Å; C144-C493 VanDerWaalsContact N-O 3.07Å; C144-T494 HydrophobicContact CB-CG2 4.33Å
145	Q	65.6	Low	45.4	Very low	111 Å²	111	107.2 Å²	107.2	52%	0.519	63%	0.625	S	S	.	*			trans	-89.9	94	173.3	-160.6	104.6	17.6	0	0	108.3
146	G	55	Low	44.6	Very low	37 Å²	37	104.8 Å²	104.8	38%	0.381	61%	0.614	S	S	.	*			trans	-72	158.7	163.4	0	0	0	0	0	110.2	C144 A148	C144-G146 PolarHBondContact O-N 3.35Å; G146-A148 VanDerWaalsContact C-N 3.27Å; G146-A148 PolarHBondContact O-N 3.11Å
147	D	42.9	Very low	44.4	Very low	140 Å²	140	103 Å²	103	75%	0.749	61%	0.611	S	S	*	*	S	Bend	trans	-42.7	74	-175.5	-83.4	-26.7	0	0	0	115.8	L149	D147-L149 VanDerWaalsContact C-N 3.31Å
148	A	40.2	Very low	44	Very low	79 Å²	79	107 Å²	107	65%	0.653	62%	0.623	S	S	*	*			trans	-98.8	17.5	165.8	0	0	0	0	0	111.2	G146	G146-A148 VanDerWaalsContact C-N 3.27Å; G146-A148 PolarHBondContact O-N 3.11Å
149	L	41.3	Very low	43.8	Very low	154 Å²	154	106 Å²	106	81%	0.806	62%	0.616	S	S	*	*			trans	-117.8	66.7	161.7	-81	157.4	0	0	0	107.4	D147 D151	D147-L149 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 2.76Å
150	G	35.8	Very low	43.3	Very low	65 Å²	65	100.6 Å²	100.6	67%	0.67	61%	0.606	S	S	*	*			trans	-56.1	128.9	161.5	0	0	0	0	0	109.3
151	D	34.8	Very low	42.7	Very low	164 Å²	164	99.9 Å²	99.9	88%	0.877	61%	0.609	S	S	*	*	S	Bend	trans	46.3	76.8	162.3	-71.6	-23.8	0	0	0	117.2	L149	L149-D151 PolarHBondContact O-N 2.76Å
152	Q	28.6	Very low	41.9	Very low	156 Å²	156	103 Å²	103	73%	0.729	63%	0.626	S	S	*	*			trans	-136.8	115.4	141.9	-75.8	-156.8	-11.8	0	0	111	G154	Q152-G154 PolarHBondContact O-N 3.31Å
153	P	32.8	Very low	40.8	Very low	143 Å²	143	103.6 Å²	103.6	93%	0.929	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	102.6	174	29.3	-28.9	0	0	0	108.2
154	G	29.5	Very low	39.9	Very low	67 Å²	67	105.6 Å²	105.6	69%	0.691	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.3	-3.1	170.6	0	0	0	0	0	119.1	Q152	Q152-G154 PolarHBondContact O-N 3.31Å
155	F	26.7	Very low	38.4	Very low	185 Å²	185	114.5 Å²	114.5	81%	0.811	69%	0.692	S	S	*	*			trans	-121.1	85.2	178.6	-86.4	-91.3	0	0	0	111.7
156	S	24	Very low	37.3	Very low	85 Å²	85	112 Å²	112	59%	0.594	70%	0.696	S	S	*	*			trans	-62.5	127.9	148.1	179.3	0	0	0	0	106.6	Q158	S156-Q158 PolarHBondContact O-N 3.02Å
157	P	31.2	Very low	36.8	Very low	121 Å²	121	117 Å²	117	79%	0.786	71%	0.71	S	S	*	*			trans	-72	70.6	161.6	31.2	-30.4	0	0	0	106.8	V159	P157-V159 PolarHBondContact O-N 3.44Å
158	Q	29.5	Very low	36.6	Very low	153 Å²	153	114.6 Å²	114.6	72%	0.715	70%	0.704	S	S	*	*			trans	-59.5	103.7	148.5	-68.8	-169.3	-6.6	0	0	104	S156 P160	S156-Q158 PolarHBondContact O-N 3.02Å; Q158-P160 VanDerWaalsContact O-CD 3.32Å; Q158-P160 WeakPolarHBondContact O-CD 3.26Å
159	V	36.3	Very low	36.9	Very low	127 Å²	127	118 Å²	118	77%	0.77	71%	0.711	S	S	*	*			trans	-44.4	115.1	155.9	176.7	0	0	0	0	104.2	P157 S161	P157-V159 PolarHBondContact O-N 3.44Å; V159-S161 PolarHBondContact O-N 2.93Å
160	P	32	Very low	37.5	Very low	93 Å²	93	115 Å²	115	60%	0.604	70%	0.695	S	S	*	*			trans	-61.1	115.1	-172.6	23.5	-31.3	0	0	0	106.2	Q158 T162	Q158-P160 VanDerWaalsContact O-CD 3.32Å; Q158-P160 WeakPolarHBondContact O-CD 3.26Å; P160-T162 HydrophobicContact CB-CG2 4.39Å; P160-T162 PolarHBondContact O-N 2.89Å
161	S	38.4	Very low	39.4	Very low	90 Å²	90	114.6 Å²	114.6	63%	0.629	68%	0.682	S	S	*	*			trans	-68.3	17.7	174.1	45.5	0	0	0	0	111.8	V159 G163	V159-S161 PolarHBondContact O-N 2.93Å; S161-G163 PolarHBondContact O-N 3.4Å
162	T	39.6	Very low	41.8	Very low	125 Å²	125	109.3 Å²	109.3	77%	0.767	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	25.9	177.4	55.6	0	0	0	0	112.9	P160	P160-T162 HydrophobicContact CB-CG2 4.39Å; P160-T162 PolarHBondContact O-N 2.89Å
163	G	43.8	Very low	44.7	Very low	49 Å²	49	104.2 Å²	104.2	51%	0.505	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.6	-9.9	176.1	0	0	0	0	0	114.7	S161	S161-G163 PolarHBondContact O-N 3.4Å
164	C	55.4	Low	47.5	Very low	62 Å²	62	100.5 Å²	100.5	42%	0.419	60%	0.598	S	S	.	*	S	Bend	trans	-96.3	-14.8	-179	-63.9	0	0	0	0	113.3	G166 C607	C164-G166 VanDerWaalsContact C-N 3.27Å; C164-G166 PolarHBondContact O-N 3.33Å; C164-G166 VanDerWaalsContact O-N 3.16Å; C164-C607 VanDerWaalsContact CA-SG 3.59Å; C164-C607 HydrophobicContact CB-CB 4.02Å; C164-C607 WeakPolarHBondContact CB-SG 3.37Å; C164-C607 WeakPolarHBondContact SG-CA 3.42Å; C164-C607 WeakPolarHBondContact SG-CB 3.5Å; C164-C607 CovalentContact SG-SG 2.06Å; C164-C607 PolarHBondContact SG-SG 2.82Å
165	E	42.3	Very low	50.6	Low	199 Å²	199	100.3 Å²	100.3	93%	0.93	58%	0.577	S	S	*	*	S	Bend	trans	-86.4	66.4	168.6	-72.7	-174.7	147.8	0	0	110
166	G	44	Very low	53.9	Low	59 Å²	59	91.5 Å²	91.5	61%	0.608	54%	0.539	S	S	*	.	S	Bend	trans	166.7	-24.3	-178.9	0	0	0	0	0	115.5	C164 S168	C164-G166 VanDerWaalsContact C-N 3.27Å; C164-G166 PolarHBondContact O-N 3.33Å; C164-G166 VanDerWaalsContact O-N 3.16Å; G166-S168 PolarHBondContact O-N 3.46Å
167	E	43.5	Very low	57.4	Low	142 Å²	142	89.7 Å²	89.7	66%	0.664	52%	0.522	S	S	*	.			trans	-73.8	56.4	165.3	-77	-164.5	161	0	0	110.5	N169	E167-N169 PolarHBondContact O-N 3.43Å
168	S	39.7	Very low	60.5	Low	89 Å²	89	87.8 Å²	87.8	62%	0.622	51%	0.505	S	S	*	.			trans	-82.3	112.8	173.7	45.7	0	0	0	0	110.2	G166	G166-S168 PolarHBondContact O-N 3.46Å
169	N	45	Very low	63.7	Low	149 Å²	149	80.5 Å²	80.5	80%	0.797	47%	0.471	S	S	*	.	S	Bend	trans	95	-6.2	131.7	-65.2	-18.2	0	0	0	122.3	E167	E167-N169 PolarHBondContact O-N 3.43Å
170	L	54.1	Low	66.6	Low	92 Å²	92	74.5 Å²	74.5	48%	0.482	43%	0.434	S	S	.	.			trans	-115.1	85.8	167.9	-128.7	87.8	0	0	0	112.2	M172 Y175	L170-M172 PolarHBondContact O-N 2.92Å; L170-Y175 HydrophobicContact CD2-CD2 4.19Å; L170-Y175 HydrophobicContact CD2-CE1 4.38Å; L170-Y175 HydrophobicContact CD2-CE2 3.29Å; L170-Y175 VanDerWaalsContact CD2-OH 3.22Å; L170-Y175 WeakPolarHBondContact CD2-OH 3.31Å
171	S	76.1	Confident	69.7	Low	56 Å²	56	71.2 Å²	71.2	39%	0.392	41%	0.413	S	S	.	.			trans	-48.3	100.6	158.7	-102.7	0	0	0	0	109.4	W173 I174	S171-W173 PolarHBondContact O-N 3.46Å; S171-W173 PolarHBondContact OG-NE1 3.02Å; S171-I174 WeakPolarHBondContact O-CB 3.41Å; S171-I174 WeakPolarHBondContact O-CD1 3.31Å; S171-I174 WeakPolarHBondContact O-CG1 3.45Å; S171-I174 PolarHBondContact O-N 3.31Å
172	M	85.3	Confident	72.5	Confident	54 Å²	54	68.4 Å²	68.4	27%	0.266	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.8	-168.6	-68.6	-75.4	-171.5	0	0	114.2	F63 P118 I121 I122 L170 I174 Y175	F63-M172 HydrophobicContact CD1-CB 4.16Å; F63-M172 HydrophobicContact CE1-CB 3.72Å; P118-M172 HydrophobicContact CB-CB 4.38Å; I121-M172 HydrophobicContact CG2-CE 3.73Å; I121-M172 HydrophobicContact CG2-SD 4.42Å; I122-M172 HydrophobicContact CD1-CB 3.62Å; I122-M172 HydrophobicContact CD1-CG 3.7Å; I122-M172 HydrophobicContact CG1-CB 4.2Å; I122-M172 HydrophobicContact CG1-CE 4.18Å; I122-M172 HydrophobicContact CG1-CG 3.71Å; I122-M172 HydrophobicContact CG1-SD 4.12Å; L170-M172 PolarHBondContact O-N 2.92Å; M172-I174 PolarHBondContact O-N 2.95Å; M172-Y175 PolarHBondContact O-N 3.47Å; M172-Y175 VanDerWaalsContact O-N 3.16Å; M172-Y175 HydrophobicContact SD-CD2 4.02Å; M172-Y175 HydrophobicContact SD-CE2 3.73Å
173	W	89.3	Confident	75.2	Confident	49 Å²	49	62.9 Å²	62.9	19%	0.186	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-18.8	170.3	64.5	-100.2	0	0	0	113	F63 I65 L69 I73 S171 Y175 V176 L177	F63-W173 HydrophobicContact CB-CB 4.22Å; F63-W173 HydrophobicContact CD1-CB 4.21Å; F63-W173 HydrophobicContact CD2-CB 4.28Å; F63-W173 HydrophobicContact CG-CB 3.98Å; I65-W173 HydrophobicContact CD1-CB 4.26Å; I65-W173 HydrophobicContact CG2-CG 4.5Å; L69-W173 HydrophobicContact CD1-CE3 4.48Å; L69-W173 HydrophobicContact CD1-CH2 4Å; L69-W173 HydrophobicContact CD1-CZ2 4.38Å; L69-W173 HydrophobicContact CD1-CZ3 4.04Å; L69-W173 HydrophobicContact CD2-CD2 4.17Å; L69-W173 HydrophobicContact CD2-CH2 4.49Å; L69-W173 HydrophobicContact CD2-CZ2 4.09Å; I73-W173 HydrophobicContact CD1-CB 4.28Å; I73-W173 HydrophobicContact CD1-CE3 4.13Å; I73-W173 HydrophobicContact CG1-CE3 4.37Å; S171-W173 PolarHBondContact O-N 3.46Å; S171-W173 PolarHBondContact OG-NE1 3.02Å; W173-Y175 VanDerWaalsContact C-N 3.27Å; W173-Y175 PolarHBondContact O-N 2.97Å; W173-V176 WeakPolarHBondContact O-CB 3.49Å; W173-V176 PolarHBondContact O-N 3.37Å; W173-V176 VanDerWaalsContact O-N 3.09Å; W173-L177 HydrophobicContact CZ3-CD1 3.87Å; W173-L177 PolarHBondContact O-N 3.45Å
174	I	92.6	Very high	77.6	Confident	64 Å²	64	60.6 Å²	60.6	33%	0.328	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-34.9	173.7	-67	165	0	0	0	111	S171 M172 V176 L177 L178	S171-I174 WeakPolarHBondContact O-CB 3.41Å; S171-I174 WeakPolarHBondContact O-CD1 3.31Å; S171-I174 WeakPolarHBondContact O-CG1 3.45Å; S171-I174 PolarHBondContact O-N 3.31Å; M172-I174 PolarHBondContact O-N 2.95Å; I174-V176 VanDerWaalsContact C-N 3.31Å; I174-V176 PolarHBondContact O-N 3.07Å; I174-L177 WeakPolarHBondContact O-CB 3.39Å; I174-L177 PolarHBondContact O-N 3.37Å; I174-L178 WeakPolarHBondContact O-CB 3.46Å; I174-L178 PolarHBondContact O-N 3.43Å
175	Y	94.1	Very high	79.5	Confident	63 Å²	63	59.6 Å²	59.6	25%	0.247	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-37.9	174	-71.2	-74.4	0	0	0	111.7	I114 L117 P118 L170 M172 W173 L177 L178 G179	I114-Y175 HydrophobicContact CG2-CD1 4.39Å; I114-Y175 WeakPolarHBondContact CG2-O 3.41Å; L117-Y175 HydrophobicContact CD2-CD1 4.45Å; L117-Y175 HydrophobicContact CD2-CE1 4.48Å; P118-Y175 HydrophobicContact CG-CD2 4.13Å; P118-Y175 HydrophobicContact CG-CG 4.17Å; L170-Y175 HydrophobicContact CD2-CD2 4.19Å; L170-Y175 HydrophobicContact CD2-CE1 4.38Å; L170-Y175 HydrophobicContact CD2-CE2 3.29Å; L170-Y175 VanDerWaalsContact CD2-OH 3.22Å; L170-Y175 WeakPolarHBondContact CD2-OH 3.31Å; M172-Y175 PolarHBondContact O-N 3.47Å; M172-Y175 VanDerWaalsContact O-N 3.16Å; M172-Y175 HydrophobicContact SD-CD2 4.02Å; M172-Y175 HydrophobicContact SD-CE2 3.73Å; W173-Y175 VanDerWaalsContact C-N 3.27Å; W173-Y175 PolarHBondContact O-N 2.97Å; Y175-L177 VanDerWaalsContact C-N 3.33Å; Y175-L178 PolarHBondContact O-N 3.37Å; Y175-G179 PolarHBondContact O-N 3.47Å
176	V	95.8	Very high	82.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-43.7	174.7	-177	0	0	0	0	110	M52 L59 F63 I73 I115 P118 W173 I174 N180	M52-V176 HydrophobicContact CE-CG1 4.33Å; L59-V176 HydrophobicContact CD1-CG1 4.17Å; L59-V176 HydrophobicContact CD2-CG2 4.45Å; F63-V176 HydrophobicContact CE2-CG2 3.73Å; F63-V176 HydrophobicContact CZ-CG2 3.86Å; I73-V176 HydrophobicContact CG2-CB 4.48Å; I73-V176 HydrophobicContact CG2-CG1 3.62Å; I115-V176 HydrophobicContact CG2-CG1 3.96Å; I115-V176 HydrophobicContact CG2-CG2 4.43Å; P118-V176 HydrophobicContact CG-CG2 4.47Å; W173-V176 WeakPolarHBondContact O-CB 3.49Å; W173-V176 PolarHBondContact O-N 3.37Å; W173-V176 VanDerWaalsContact O-N 3.09Å; I174-V176 VanDerWaalsContact C-N 3.31Å; I174-V176 PolarHBondContact O-N 3.07Å; V176-N180 WeakPolarHBondContact O-CB 3.49Å; V176-N180 PolarHBondContact O-N 3.17Å
177	L	96.4	Very high	84.4	Confident	46 Å²	46	48 Å²	48	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-53.6	174.7	-174.3	151.9	0	0	0	111.3	V72 I73 S76 W173 I174 Y175 G179 N180 V181	V72-L177 HydrophobicContact CG1-CD1 4.21Å; I73-L177 HydrophobicContact CG1-CB 4.31Å; S76-L177 PolarHBondContact OG-O 3.39Å; W173-L177 HydrophobicContact CZ3-CD1 3.87Å; W173-L177 PolarHBondContact O-N 3.45Å; I174-L177 WeakPolarHBondContact O-CB 3.39Å; I174-L177 PolarHBondContact O-N 3.37Å; Y175-L177 VanDerWaalsContact C-N 3.33Å; L177-G179 VanDerWaalsContact C-N 3.33Å; L177-G179 PolarHBondContact O-N 3.33Å; L177-N180 PolarHBondContact O-N 3.33Å; L177-N180 VanDerWaalsContact O-N 3.13Å; L177-V181 HydrophobicContact CD2-CG2 4.06Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3Å
178	L	96.2	Very high	86.7	Confident	82 Å²	82	41.4 Å²	41.4	43%	0.429	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-44.3	-179.1	178.4	62	0	0	0	111.6	I174 Y175 N180 V181 L182	I174-L178 WeakPolarHBondContact O-CB 3.46Å; I174-L178 PolarHBondContact O-N 3.43Å; Y175-L178 PolarHBondContact O-N 3.37Å; L178-N180 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 2.96Å; L178-V181 PolarHBondContact O-N 2.95Å; L178-L182 HydrophobicContact CG-CD1 4.29Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 2.92Å
179	G	97.1	Very high	89.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-37.6	176.7	0	0	0	0	0	112.4	G111 Y175 L177 L182 R183	G111-G179 CarbonylContact C-O 3.47Å; G111-G179 WeakPolarHBondContact CA-O 3.3Å; G111-G179 CarbonylContact O-C 3.56Å; G111-G179 VanDerWaalsContact O-CA 3.22Å; G111-G179 WeakPolarHBondContact O-CA 3.43Å; Y175-G179 PolarHBondContact O-N 3.47Å; L177-G179 VanDerWaalsContact C-N 3.33Å; L177-G179 PolarHBondContact O-N 3.33Å; G179-L182 PolarHBondContact O-N 3.32Å; G179-R183 WeakPolarHBondContact O-CB 3.32Å; G179-R183 PolarHBondContact O-N 3.32Å
180	N	97	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-73.4	-33.6	176.6	-159.5	36.6	0	0	0	112.8	M52 I73 D74 F77 I115 V176 L177 L178 R183 G184	M52-N180 HydrophobicContact CE-CB 3.87Å; I73-N180 PolarHBondContact O-ND2 2.94Å; D74-N180 PolarHBondContact O-ND2 3.41Å; F77-N180 WeakPolarHBondContact CA-O 3.21Å; F77-N180 WeakPolarHBondContact CB-ND2 3.35Å; F77-N180 PolarHBondContact N-ND2 3.27Å; I115-N180 HydrophobicContact CD1-CB 4.26Å; V176-N180 WeakPolarHBondContact O-CB 3.49Å; V176-N180 PolarHBondContact O-N 3.17Å; L177-N180 PolarHBondContact O-N 3.33Å; L177-N180 VanDerWaalsContact O-N 3.13Å; L178-N180 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 2.96Å; N180-R183 WeakPolarHBondContact O-CB 3.19Å; N180-R183 PolarHBondContact O-N 2.95Å; N180-R183 PolarHBondContact OD1-NE 3.3Å; N180-R183 PolarHBondContact OD1-NH2 3.4Å; N180-G184 PolarHBondContact O-N 3.5Å
181	V	97.3	Very high	92.9	Very high	24 Å²	24	29.8 Å²	29.8	15%	0.145	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-49.4	168.8	172.8	0	0	0	0	110.5	L177 L178 R183 G184 I185	L177-V181 HydrophobicContact CD2-CG2 4.06Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3Å; L178-V181 PolarHBondContact O-N 2.95Å; V181-R183 VanDerWaalsContact C-N 3.28Å; V181-R183 PolarHBondContact O-N 3.48Å; V181-G184 WeakPolarHBondContact O-CA 3.23Å; V181-G184 PolarHBondContact O-N 3.46Å; V181-I185 HydrophobicContact CG1-CD1 4.11Å; V181-I185 WeakPolarHBondContact O-CG1 3.26Å; V181-I185 PolarHBondContact O-N 3.42Å
182	L	97	Very high	93.2	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.168	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-38.2	176.7	-73.9	169.8	0	0	0	112	L107 F110 I114 L178 G179 G184 I185 G186	L107-L182 HydrophobicContact CD1-CD2 4.06Å; F110-L182 HydrophobicContact CD1-CD1 4.34Å; F110-L182 HydrophobicContact CE1-CD1 4.4Å; I114-L182 HydrophobicContact CD1-CD1 3.43Å; I114-L182 VanDerWaalsContact CD1-CD1 3.43Å; L178-L182 HydrophobicContact CG-CD1 4.29Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 2.92Å; G179-L182 PolarHBondContact O-N 3.32Å; L182-G184 VanDerWaalsContact C-N 3.31Å; L182-G184 PolarHBondContact O-N 3.46Å; L182-I185 HydrophobicContact CD2-CD1 4.45Å; L182-I185 PolarHBondContact O-N 2.9Å; L182-G186 PolarHBondContact O-N 3.04Å
183	R	96.4	Very high	93.3	Very high	9 Å²	9	26.6 Å²	26.6	3%	0.034	13%	0.132	C	C	.	.	H	α-helix	trans	-59	-43	172	-163.4	-176.9	71.8	90.3	-1.1	111.4	S48 F77 M108 G179 N180 V181 G186 E187	S48-R183 WeakPolarHBondContact OG-CD 3.25Å; F77-R183 HydrophobicContact CD2-CB 4.36Å; F77-R183 HydrophobicContact CD2-CG 4.43Å; F77-R183 HydrophobicContact CE2-CG 4.31Å; F77-R183 VanDerWaalsContact CG-NH2 3.32Å; M108-R183 HydrophobicContact CG-CB 4.48Å; M108-R183 HydrophobicContact CG-CG 3.6Å; M108-R183 HydrophobicContact SD-CG 4.46Å; G179-R183 WeakPolarHBondContact O-CB 3.32Å; G179-R183 PolarHBondContact O-N 3.32Å; N180-R183 WeakPolarHBondContact O-CB 3.19Å; N180-R183 PolarHBondContact O-N 2.95Å; N180-R183 PolarHBondContact OD1-NE 3.3Å; N180-R183 PolarHBondContact OD1-NH2 3.4Å; V181-R183 VanDerWaalsContact C-N 3.28Å; V181-R183 PolarHBondContact O-N 3.48Å; R183-G186 PolarHBondContact O-N 3.26Å; R183-E187 PolarHBondContact O-N 2.85Å
184	G	95.6	Very high	93.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-47.5	174.5	0	0	0	0	0	113	F77 N81 N180 V181 L182 G186 E187 T188	F77-G184 VanDerWaalsContact CD2-CA 3.41Å; F77-G184 WeakPolarHBondContact O-CA 3.29Å; N81-G184 WeakPolarHBondContact CA-O 3.35Å; N180-G184 PolarHBondContact O-N 3.5Å; V181-G184 WeakPolarHBondContact O-CA 3.23Å; V181-G184 PolarHBondContact O-N 3.46Å; L182-G184 VanDerWaalsContact C-N 3.31Å; L182-G184 PolarHBondContact O-N 3.46Å; G184-G186 VanDerWaalsContact C-N 3.34Å; G184-G186 PolarHBondContact O-N 2.87Å; G184-E187 PolarHBondContact O-N 2.95Å; G184-T188 PolarHBondContact O-N 2.95Å; G184-T188 PolarHBondContact O-OG1 2.87Å; G184-T188 VanDerWaalsContact O-OG1 3.07Å
185	I	95.6	Very high	92.8	Very high	41 Å²	41	23.3 Å²	23.3	21%	0.21	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-44.4	177.3	-63.3	169	0	0	0	110.8	G80 V84 L107 V181 L182 T188	G80-I185 WeakPolarHBondContact O-CG1 3.09Å; V84-I185 HydrophobicContact CB-CG2 4.46Å; V84-I185 HydrophobicContact CG1-CG2 4Å; V84-I185 HydrophobicContact CG2-CB 4.15Å; V84-I185 HydrophobicContact CG2-CG1 4.27Å; V84-I185 HydrophobicContact CG2-CG2 3.78Å; L107-I185 HydrophobicContact CD2-CB 4.03Å; L107-I185 HydrophobicContact CD2-CG2 3.44Å; L107-I185 VanDerWaalsContact CD2-CG2 3.44Å; V181-I185 HydrophobicContact CG1-CD1 4.11Å; V181-I185 WeakPolarHBondContact O-CG1 3.26Å; V181-I185 PolarHBondContact O-N 3.42Å; L182-I185 HydrophobicContact CD2-CD1 4.45Å; L182-I185 PolarHBondContact O-N 2.9Å; I185-T188 WeakPolarHBondContact O-CB 3.49Å; I185-T188 PolarHBondContact O-N 3.32Å; I185-T188 PolarHBondContact O-OG1 3.38Å
186	G	95.3	Very high	92.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69	-28.9	179.8	0	0	0	0	0	114.4	G104 L182 R183 G184 T188 P189	G104-G186 CarbonylContact C-O 3.16Å; G104-G186 VanDerWaalsContact CA-O 3.22Å; G104-G186 WeakPolarHBondContact CA-O 3.39Å; G104-G186 CarbonylContact O-C 3.43Å; G104-G186 WeakPolarHBondContact O-CA 3.22Å; L182-G186 PolarHBondContact O-N 3.04Å; R183-G186 PolarHBondContact O-N 3.26Å; G184-G186 VanDerWaalsContact C-N 3.34Å; G184-G186 PolarHBondContact O-N 2.87Å; G186-T188 VanDerWaalsContact C-N 3.35Å; G186-P189 WeakPolarHBondContact O-CD 3.49Å
187	E	93.6	Very high	91.7	Very high	15 Å²	15	21.9 Å²	21.9	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-69.4	-33.9	176.6	-163.9	-136.7	174.1	0	0	112.4	K45 F77 N81 M108 R183 G184 V190 R580	K45-E187 HydrophobicContact CD-CG 3.86Å; K45-E187 IonicContact NZ-OE1 2.64Å; K45-E187 PolarHBondContact NZ-OE1 3.27Å; F77-E187 HydrophobicContact CE2-CB 4.1Å; F77-E187 HydrophobicContact CE2-CG 4.46Å; F77-E187 HydrophobicContact CZ-CB 4.13Å; F77-E187 HydrophobicContact CZ-CG 4.06Å; F77-E187 WeakPolarHBondContact CZ-OE2 3.46Å; N81-E187 PolarHBondContact ND2-OE2 3.4Å; M108-E187 HydrophobicContact SD-CB 4.19Å; M108-E187 HydrophobicContact SD-CG 4.47Å; R183-E187 PolarHBondContact O-N 2.85Å; G184-E187 PolarHBondContact O-N 2.95Å; E187-V190 WeakPolarHBondContact O-CB 3.3Å; E187-V190 WeakPolarHBondContact O-CG2 2.99Å; E187-V190 PolarHBondContact O-N 3.41Å; E187-R580 IonicContact OE2-CZ 3.54Å; E187-R580 IonicContact OE2-NH1 3.01Å; E187-R580 IonicContact OE2-NH2 3.08Å; E187-R580 PolarHBondContact OE2-NH2 2.93Å; E187-R580 VanDerWaalsContact OE2-NH2 3.1Å
188	T	91.2	Very high	91.1	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-50.3	-172.2	-61.9	0	0	0	0	115.5	N81 V84 I85 V88 G184 I185 G186 V190 P192	N81-T188 WeakPolarHBondContact CA-OG1 3.38Å; N81-T188 PolarHBondContact ND2-OG1 3.32Å; N81-T188 PolarHBondContact O-OG1 3.43Å; V84-T188 HydrophobicContact CG2-CG2 3.84Å; V84-T188 WeakPolarHBondContact CG2-OG1 3.5Å; I85-T188 HydrophobicContact CB-CG2 3.83Å; I85-T188 HydrophobicContact CG1-CG2 4.09Å; V88-T188 HydrophobicContact CB-CG2 3.9Å; V88-T188 HydrophobicContact CG1-CG2 4.19Å; V88-T188 HydrophobicContact CG2-CG2 4.05Å; G184-T188 PolarHBondContact O-N 2.95Å; G184-T188 PolarHBondContact O-OG1 2.87Å; G184-T188 VanDerWaalsContact O-OG1 3.07Å; I185-T188 WeakPolarHBondContact O-CB 3.49Å; I185-T188 PolarHBondContact O-N 3.32Å; I185-T188 PolarHBondContact O-OG1 3.38Å; G186-T188 VanDerWaalsContact C-N 3.35Å; T188-V190 VanDerWaalsContact C-N 3.33Å; T188-V190 PolarHBondContact O-N 2.83Å; T188-P192 WeakPolarHBondContact O-CD 3.39Å; T188-P192 WeakPolarHBondContact O-CG 3.39Å
189	P	90.8	Very high	90.4	Very high	5 Å²	5	21 Å²	21	3%	0.032	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.9	-179	25.5	-35.3	0	0	0	114.7	V88 I100 G186 Q191 L193	V88-P189 HydrophobicContact CG1-CB 3.67Å; I100-P189 HydrophobicContact CG2-CB 3.82Å; G186-P189 WeakPolarHBondContact O-CD 3.49Å; P189-Q191 PolarHBondContact O-N 3.36Å; P189-L193 HydrophobicContact CB-CD1 3.81Å; P189-L193 HydrophobicContact CB-CG 4.42Å; P189-L193 WeakPolarHBondContact O-CB 3.49Å; P189-L193 WeakPolarHBondContact O-CG 3.44Å; P189-L193 PolarHBondContact O-N 3.02Å
190	V	91.6	Very high	89.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-47	-167.2	-178.9	0	0	0	0	111.6	L38 A41 Y42 K45 I101 E187 T188 G194	L38-V190 HydrophobicContact CD1-CG1 4.23Å; A41-V190 HydrophobicContact CB-CG1 4.15Å; Y42-V190 HydrophobicContact CD2-CG1 3.99Å; Y42-V190 HydrophobicContact CE2-CG1 3.95Å; K45-V190 HydrophobicContact CD-CG1 4.49Å; I101-V190 HydrophobicContact CG2-CG2 4.42Å; E187-V190 WeakPolarHBondContact O-CB 3.3Å; E187-V190 WeakPolarHBondContact O-CG2 2.99Å; E187-V190 PolarHBondContact O-N 3.41Å; T188-V190 VanDerWaalsContact C-N 3.33Å; T188-V190 PolarHBondContact O-N 2.83Å; V190-G194 VanDerWaalsContact O-CA 3.31Å; V190-G194 WeakPolarHBondContact O-CA 3.45Å; V190-G194 PolarHBondContact O-N 3.39Å; V190-G194 VanDerWaalsContact O-N 3.11Å
191	Q	86.4	Confident	88.8	Confident	81 Å²	81	28 Å²	28	38%	0.379	15%	0.148	S	C	.	.	H	α-helix	trans	-77.9	-57.9	-175.7	174.4	161.1	-23.9	0	0	114.2	Y42 P189 L193 G194 I195	Y42-Q191 VanDerWaalsContact OH-CA 3.31Å; Y42-Q191 WeakPolarHBondContact OH-CA 3.17Å; Y42-Q191 WeakPolarHBondContact OH-CB 3.22Å; Y42-Q191 VanDerWaalsContact OH-CG 3.28Å; Y42-Q191 WeakPolarHBondContact OH-CG 3.46Å; P189-Q191 PolarHBondContact O-N 3.36Å; Q191-L193 PolarHBondContact O-N 3.42Å; Q191-G194 PolarHBondContact O-N 3.46Å; Q191-I195 WeakPolarHBondContact O-CB 3.43Å; Q191-I195 VanDerWaalsContact O-CG1 3.24Å; Q191-I195 WeakPolarHBondContact O-CG1 3.43Å; Q191-I195 PolarHBondContact O-N 3.39Å
192	P	83.8	Confident	88	Confident	42 Å²	42	27.6 Å²	27.6	27%	0.273	15%	0.147	S	C	.	.	H	α-helix	trans	-64.5	-41.7	-176.9	24.9	-33.2	0	0	0	112.6	T188 S196	T188-P192 WeakPolarHBondContact O-CD 3.39Å; T188-P192 WeakPolarHBondContact O-CG 3.39Å; P192-S196 WeakPolarHBondContact O-CB 3.39Å; P192-S196 PolarHBondContact O-N 2.84Å; P192-S196 VanDerWaalsContact O-N 3.17Å; P192-S196 PolarHBondContact O-OG 3.35Å
193	L	86.2	Confident	87	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-77.4	-32	179.7	-54.2	-176.8	0	0	0	112	V88 R97 I100 I101 P189 Q191 S196 Y197	V88-L193 HydrophobicContact CG1-CD1 4.13Å; V88-L193 HydrophobicContact CG1-CG 4.38Å; R97-L193 HydrophobicContact CB-CB 4.33Å; I100-L193 HydrophobicContact CB-CD1 3.85Å; I100-L193 HydrophobicContact CG2-CD1 3.5Å; I101-L193 HydrophobicContact CD1-CB 3.95Å; I101-L193 HydrophobicContact CG1-CB 3.84Å; I101-L193 HydrophobicContact CG1-CD1 4.49Å; P189-L193 HydrophobicContact CB-CD1 3.81Å; P189-L193 HydrophobicContact CB-CG 4.42Å; P189-L193 WeakPolarHBondContact O-CB 3.49Å; P189-L193 WeakPolarHBondContact O-CG 3.44Å; P189-L193 PolarHBondContact O-N 3.02Å; Q191-L193 PolarHBondContact O-N 3.42Å; L193-S196 WeakPolarHBondContact CA-OG 3.17Å; L193-S196 PolarHBondContact O-OG 3.4Å; L193-S196 VanDerWaalsContact O-OG 3.13Å; L193-Y197 WeakPolarHBondContact O-CB 3.39Å; L193-Y197 PolarHBondContact O-N 3.48Å; L193-Y197 VanDerWaalsContact O-N 3.08Å
194	G	87.9	Confident	85.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-52.4	175.7	0	0	0	0	0	112.3	V190 Q191 Y197 I198	V190-G194 VanDerWaalsContact O-CA 3.31Å; V190-G194 WeakPolarHBondContact O-CA 3.45Å; V190-G194 PolarHBondContact O-N 3.39Å; V190-G194 VanDerWaalsContact O-N 3.11Å; Q191-G194 PolarHBondContact O-N 3.46Å; G194-Y197 PolarHBondContact O-N 3.04Å; G194-I198 WeakPolarHBondContact O-CG1 3.46Å; G194-I198 PolarHBondContact O-N 3.31Å; G194-I198 VanDerWaalsContact O-N 3.16Å
195	I	84.1	Confident	84.5	Confident	44 Å²	44	47.1 Å²	47.1	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-43.3	-178.7	-59.9	-61.6	0	0	0	111.3	Q191 Y197 I198 D199 V211	Q191-I195 WeakPolarHBondContact O-CB 3.43Å; Q191-I195 VanDerWaalsContact O-CG1 3.24Å; Q191-I195 WeakPolarHBondContact O-CG1 3.43Å; Q191-I195 PolarHBondContact O-N 3.39Å; I195-Y197 VanDerWaalsContact C-N 3.29Å; I195-Y197 PolarHBondContact O-N 3.07Å; I195-I198 PolarHBondContact O-N 3.47Å; I195-I198 VanDerWaalsContact O-N 3.13Å; I195-D199 PolarHBondContact O-N 3.21Å; I195-V211 HydrophobicContact CD1-CB 4.34Å; I195-V211 HydrophobicContact CD1-CG1 3.87Å; I195-V211 HydrophobicContact CD1-CG2 3.89Å; I195-V211 HydrophobicContact CG2-CG2 4.06Å
196	S	83.1	Confident	83.4	Confident	33 Å²	33	48.2 Å²	48.2	23%	0.231	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-32.9	177	57.1	0	0	0	0	113.2	R97 P192 L193 D199 D200	R97-S196 VanDerWaalsContact NH1-C 3.29Å; R97-S196 PolarHBondContact NH1-O 2.92Å; R97-S196 VanDerWaalsContact NH1-O 3.15Å; R97-S196 PolarHBondContact NH1-OG 3.44Å; P192-S196 WeakPolarHBondContact O-CB 3.39Å; P192-S196 PolarHBondContact O-N 2.84Å; P192-S196 VanDerWaalsContact O-N 3.17Å; P192-S196 PolarHBondContact O-OG 3.35Å; L193-S196 WeakPolarHBondContact CA-OG 3.17Å; L193-S196 PolarHBondContact O-OG 3.4Å; L193-S196 VanDerWaalsContact O-OG 3.13Å; S196-D199 PolarHBondContact O-N 2.99Å; S196-D200 WeakPolarHBondContact O-CB 3.24Å; S196-D200 VanDerWaalsContact O-CG 3.28Å; S196-D200 PolarHBondContact O-N 3.48Å; S196-D200 VanDerWaalsContact O-N 3.08Å
197	Y	83.8	Confident	82.3	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-69.1	-37.4	173.8	-168.3	-83.8	0	0	0	111.6	F34 R97 P98 L193 G194 I195 D199 F201 P282 L285	F34-Y197 HydrophobicContact CB-CD1 4.42Å; F34-Y197 HydrophobicContact CB-CE1 4.03Å; F34-Y197 AromaticContact CD1-CD1 3.44Å; F34-Y197 HydrophobicContact CD1-CD1 3.44Å; F34-Y197 VanDerWaalsContact CD1-CD1 3.44Å; F34-Y197 AromaticContact CD1-CE1 3.94Å; F34-Y197 HydrophobicContact CD1-CE1 3.94Å; F34-Y197 HydrophobicContact CD1-CG 4.36Å; F34-Y197 AromaticContact CD2-CD1 3.58Å; F34-Y197 HydrophobicContact CD2-CD1 3.58Å; F34-Y197 AromaticContact CD2-CE1 3.55Å; F34-Y197 HydrophobicContact CD2-CE1 3.55Å; F34-Y197 HydrophobicContact CD2-CG 4.23Å; F34-Y197 AromaticContact CE1-CD1 3.42Å; F34-Y197 HydrophobicContact CE1-CD1 3.42Å; F34-Y197 VanDerWaalsContact CE1-CD1 3.42Å; F34-Y197 HydrophobicContact CE1-CE1 4.3Å; F34-Y197 AromaticContact CE1-CG 3.9Å; F34-Y197 HydrophobicContact CE1-CG 3.9Å; F34-Y197 AromaticContact CE2-CD1 3.58Å; F34-Y197 HydrophobicContact CE2-CD1 3.58Å; F34-Y197 HydrophobicContact CE2-CD2 4.33Å; F34-Y197 AromaticContact CE2-CE1 3.97Å; F34-Y197 HydrophobicContact CE2-CE1 3.97Å; F34-Y197 AromaticContact CE2-CG 3.78Å; F34-Y197 HydrophobicContact CE2-CG 3.78Å; F34-Y197 AromaticContact CG-CD1 3.53Å; F34-Y197 HydrophobicContact CG-CD1 3.53Å; F34-Y197 AromaticContact CG-CE1 3.55Å; F34-Y197 HydrophobicContact CG-CE1 3.55Å; F34-Y197 AromaticContact CZ-CD1 3.49Å; F34-Y197 HydrophobicContact CZ-CD1 3.49Å; F34-Y197 VanDerWaalsContact CZ-CD1 3.49Å; F34-Y197 HydrophobicContact CZ-CD2 4.49Å; F34-Y197 HydrophobicContact CZ-CE1 4.32Å; F34-Y197 AromaticContact CZ-CG 3.59Å; F34-Y197 HydrophobicContact CZ-CG 3.59Å; R97-Y197 HydrophobicContact CB-CD2 4.28Å; P98-Y197 HydrophobicContact CG-CD2 4.13Å; P98-Y197 HydrophobicContact CG-CE2 3.66Å; L193-Y197 WeakPolarHBondContact O-CB 3.39Å; L193-Y197 PolarHBondContact O-N 3.48Å; L193-Y197 VanDerWaalsContact O-N 3.08Å; G194-Y197 PolarHBondContact O-N 3.04Å; I195-Y197 VanDerWaalsContact C-N 3.29Å; I195-Y197 PolarHBondContact O-N 3.07Å; Y197-D199 VanDerWaalsContact C-N 3.34Å; Y197-F201 AromaticContact CD1-CD2 3.72Å; Y197-F201 HydrophobicContact CD1-CD2 3.72Å; Y197-F201 HydrophobicContact CD1-CE2 4.22Å; Y197-F201 AromaticContact CD2-CD2 3.92Å; Y197-F201 HydrophobicContact CD2-CD2 3.92Å; Y197-F201 AromaticContact CD2-CE2 3.56Å; Y197-F201 HydrophobicContact CD2-CE2 3.56Å; Y197-F201 AromaticContact CE1-CD2 3.61Å; Y197-F201 HydrophobicContact CE1-CD2 3.61Å; Y197-F201 HydrophobicContact CE1-CE2 4.03Å; Y197-F201 AromaticContact CE2-CD2 3.83Å; Y197-F201 HydrophobicContact CE2-CD2 3.83Å; Y197-F201 AromaticContact CE2-CE2 3.35Å; Y197-F201 HydrophobicContact CE2-CE2 3.35Å; Y197-F201 HydrophobicContact CE2-CZ 4.31Å; Y197-F201 AromaticContact CG-CD2 3.88Å; Y197-F201 HydrophobicContact CG-CD2 3.88Å; Y197-F201 HydrophobicContact CG-CE2 4.02Å; Y197-F201 AromaticContact CZ-CD2 3.68Å; Y197-F201 AromaticContact CZ-CE2 3.61Å; Y197-F201 WeakPolarHBondContact O-CD2 3.43Å; Y197-F201 PolarHBondContact O-N 3.31Å; Y197-P282 PolarHBondContact OH-O 2.8Å; Y197-L285 HydrophobicContact CE1-CD1 4.43Å
198	I	84	Confident	81.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-45.5	173.8	-65.9	172.2	0	0	0	110.3	F34 L35 L38 G194 I195 D200 F201 A202 Y210 V211 V214	F34-I198 HydrophobicContact CD1-CG1 4.28Å; F34-I198 HydrophobicContact CE1-CG1 4.01Å; L35-I198 HydrophobicContact CD2-CD1 3.46Å; L35-I198 VanDerWaalsContact CD2-CD1 3.46Å; L35-I198 HydrophobicContact CD2-CG1 3.63Å; L35-I198 HydrophobicContact CD2-CG2 4.34Å; L38-I198 HydrophobicContact CD2-CD1 3.6Å; L38-I198 HydrophobicContact CD2-CG1 4.35Å; G194-I198 WeakPolarHBondContact O-CG1 3.46Å; G194-I198 PolarHBondContact O-N 3.31Å; G194-I198 VanDerWaalsContact O-N 3.16Å; I195-I198 PolarHBondContact O-N 3.47Å; I195-I198 VanDerWaalsContact O-N 3.13Å; I198-D200 PolarHBondContact O-N 3.09Å; I198-F201 PolarHBondContact O-N 3.32Å; I198-A202 HydrophobicContact CG2-CB 4.3Å; I198-A202 WeakPolarHBondContact O-CB 3.43Å; I198-A202 PolarHBondContact O-N 2.8Å; I198-Y210 HydrophobicContact CG2-CD2 4.22Å; I198-V211 HydrophobicContact CG2-CG2 4.19Å; I198-V214 HydrophobicContact CD1-CG2 4.11Å
199	D	79.9	Confident	80.5	Confident	108 Å²	108	56.1 Å²	56.1	58%	0.578	30%	0.304	S	S	*	.	H	α-helix	trans	-62.7	-41.6	-177.2	-158.9	56.1	0	0	0	112.4	I195 S196 Y197 F201	I195-D199 PolarHBondContact O-N 3.21Å; S196-D199 PolarHBondContact O-N 2.99Å; Y197-D199 VanDerWaalsContact C-N 3.34Å; D199-F201 VanDerWaalsContact C-N 3.31Å; D199-F201 PolarHBondContact O-N 3.12Å
200	D	80.4	Confident	80	Confident	90 Å²	90	58.4 Å²	58.4	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-71	-23.3	-178.6	-74.2	-7.5	0	0	0	114.1	R97 S196 I198	R97-D200 IonicContact CZ-OD2 2.62Å; R97-D200 IonicContact NH1-OD2 3.51Å; R97-D200 PolarHBondContact NH1-OD2 2.97Å; R97-D200 IonicContact NH2-OD2 3.36Å; R97-D200 PolarHBondContact NH2-OD2 3.3Å; S196-D200 WeakPolarHBondContact O-CB 3.24Å; S196-D200 VanDerWaalsContact O-CG 3.28Å; S196-D200 PolarHBondContact O-N 3.48Å; S196-D200 VanDerWaalsContact O-N 3.08Å; I198-D200 PolarHBondContact O-N 3.09Å
201	F	80.4	Confident	79.3	Confident	58 Å²	58	60.2 Å²	60.2	25%	0.254	32%	0.323	S	S	.	.	H	α-helix	trans	-120.3	-15	-170.3	-66.1	-64.1	0	0	0	115	L31 Y197 I198 D199 L285	L31-F201 HydrophobicContact CD1-CB 3.98Å; Y197-F201 AromaticContact CD1-CD2 3.72Å; Y197-F201 HydrophobicContact CD1-CD2 3.72Å; Y197-F201 HydrophobicContact CD1-CE2 4.22Å; Y197-F201 AromaticContact CD2-CD2 3.92Å; Y197-F201 HydrophobicContact CD2-CD2 3.92Å; Y197-F201 AromaticContact CD2-CE2 3.56Å; Y197-F201 HydrophobicContact CD2-CE2 3.56Å; Y197-F201 AromaticContact CE1-CD2 3.61Å; Y197-F201 HydrophobicContact CE1-CD2 3.61Å; Y197-F201 HydrophobicContact CE1-CE2 4.03Å; Y197-F201 AromaticContact CE2-CD2 3.83Å; Y197-F201 HydrophobicContact CE2-CD2 3.83Å; Y197-F201 AromaticContact CE2-CE2 3.35Å; Y197-F201 HydrophobicContact CE2-CE2 3.35Å; Y197-F201 HydrophobicContact CE2-CZ 4.31Å; Y197-F201 AromaticContact CG-CD2 3.88Å; Y197-F201 HydrophobicContact CG-CD2 3.88Å; Y197-F201 HydrophobicContact CG-CE2 4.02Å; Y197-F201 AromaticContact CZ-CD2 3.68Å; Y197-F201 AromaticContact CZ-CE2 3.61Å; Y197-F201 WeakPolarHBondContact O-CD2 3.43Å; Y197-F201 PolarHBondContact O-N 3.31Å; I198-F201 PolarHBondContact O-N 3.32Å; D199-F201 VanDerWaalsContact C-N 3.31Å; D199-F201 PolarHBondContact O-N 3.12Å; F201-L285 HydrophobicContact CB-CD1 3.64Å; F201-L285 HydrophobicContact CD1-CB 3.68Å; F201-L285 HydrophobicContact CD1-CD1 3.94Å; F201-L285 HydrophobicContact CD1-CG 4.11Å; F201-L285 HydrophobicContact CD2-CD1 4.22Å; F201-L285 HydrophobicContact CE1-CB 3.91Å; F201-L285 HydrophobicContact CE1-CG 4.46Å; F201-L285 VanDerWaalsContact CE1-N 3.3Å; F201-L285 HydrophobicContact CG-CB 4.29Å; F201-L285 HydrophobicContact CG-CD1 3.67Å; F201-L285 HydrophobicContact CG-CG 4.22Å
202	A	80.4	Confident	78.6	Confident	15 Å²	15	58 Å²	58	12%	0.124	32%	0.322	C	S	.	.	S	Bend	trans	-85.7	152.9	170.3	0	0	0	0	0	110.4	L31 I198 A207 Y210	L31-A202 HydrophobicContact CD2-CB 4.32Å; I198-A202 HydrophobicContact CG2-CB 4.3Å; I198-A202 WeakPolarHBondContact O-CB 3.43Å; I198-A202 PolarHBondContact O-N 2.8Å; A202-A207 HydrophobicContact CB-CB 3.93Å; A202-Y210 HydrophobicContact CB-CD2 3.75Å; A202-Y210 HydrophobicContact CB-CE2 3.9Å
203	T	76.3	Confident	78.5	Confident	85 Å²	85	59 Å²	59	52%	0.521	33%	0.329	S	S	.	.			trans	-65.5	147.3	166.4	54.5	0	0	0	0	109.4	E205 N206 A207	T203-E205 PolarHBondContact O-N 3.14Å; T203-N206 PolarHBondContact O-N 3.42Å; T203-N206 WeakPolarHBondContact OG1-CB 3.48Å; T203-N206 PolarHBondContact OG1-ND2 3.47Å; T203-A207 PolarHBondContact O-N 3.32Å
204	E	68.9	Low	78.5	Confident	187 Å²	187	58.9 Å²	58.9	87%	0.874	33%	0.329	S	S	*	.	H	α-helix	trans	-51.8	-34.5	-176.4	-67.2	-174.1	173.5	0	0	112.8
205	E	70	Confident	78	Confident	179 Å²	179	62.5 Å²	62.5	84%	0.836	35%	0.346	S	S	*	.	H	α-helix	trans	-70.3	-32.3	177.4	-62.3	-176.4	172.2	0	0	113.5	T203	T203-E205 PolarHBondContact O-N 3.14Å
206	N	74.3	Confident	77.8	Confident	65 Å²	65	64.8 Å²	64.8	35%	0.348	36%	0.362	S	S	.	.	H	α-helix	trans	-95.2	-23.9	-176	-71.7	-40.2	0	0	0	113.4	T203 A208 L209 Y210	T203-N206 PolarHBondContact O-N 3.42Å; T203-N206 WeakPolarHBondContact OG1-CB 3.48Å; T203-N206 PolarHBondContact OG1-ND2 3.47Å; N206-A208 VanDerWaalsContact C-N 3.35Å; N206-A208 PolarHBondContact O-N 3Å; N206-L209 PolarHBondContact O-N 3.01Å; N206-L209 VanDerWaalsContact O-N 3.14Å; N206-Y210 HydrophobicContact CB-CD2 4.35Å; N206-Y210 HydrophobicContact CB-CE2 3.85Å; N206-Y210 WeakPolarHBondContact O-CD2 3.2Å; N206-Y210 PolarHBondContact O-N 3.02Å
207	A	71.9	Confident	77.9	Confident	5 Å²	5	66.2 Å²	66.2	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-56.3	-47.3	-178.9	0	0	0	0	0	111.9	A202 T203 L209 Y210 V211	A202-A207 HydrophobicContact CB-CB 3.93Å; T203-A207 PolarHBondContact O-N 3.32Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 2.92Å; A207-Y210 PolarHBondContact O-N 2.87Å; A207-V211 WeakPolarHBondContact O-CG2 3.36Å; A207-V211 PolarHBondContact O-N 2.98Å
208	A	71.1	Confident	77.9	Confident	76 Å²	76	67.1 Å²	67.1	63%	0.628	37%	0.373	S	S	*	.	H	α-helix	trans	-62.1	-38.4	178.3	0	0	0	0	0	112.7	N206 G212	N206-A208 VanDerWaalsContact C-N 3.35Å; N206-A208 PolarHBondContact O-N 3Å; A208-G212 PolarHBondContact O-N 3.08Å
209	L	75.2	Confident	77.9	Confident	102 Å²	102	69.8 Å²	69.8	53%	0.534	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-42.7	177.9	-177.5	140.7	0	0	0	111.3	N206 A207 G212 C213	N206-L209 PolarHBondContact O-N 3.01Å; N206-L209 VanDerWaalsContact O-N 3.14Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 2.92Å; L209-G212 PolarHBondContact O-N 3.07Å; L209-C213 PolarHBondContact O-N 3.41Å; L209-C213 PolarHBondContact O-SG 3.21Å
210	Y	80.6	Confident	78.3	Confident	53 Å²	53	67.7 Å²	67.7	21%	0.208	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-44.6	177.2	-66.9	-25.3	0	0	0	112.9	L31 L35 I198 A202 N206 A207 G212 C213 V214	L31-Y210 HydrophobicContact CD2-CE2 4.16Å; L35-Y210 HydrophobicContact CD1-CD1 3.63Å; L35-Y210 HydrophobicContact CD1-CD2 3.71Å; L35-Y210 HydrophobicContact CD1-CE1 3.84Å; L35-Y210 HydrophobicContact CD1-CE2 3.9Å; L35-Y210 HydrophobicContact CD1-CG 3.58Å; L35-Y210 HydrophobicContact CD2-CD2 4.3Å; L35-Y210 HydrophobicContact CD2-CG 4Å; L35-Y210 HydrophobicContact CG-CG 4.46Å; I198-Y210 HydrophobicContact CG2-CD2 4.22Å; A202-Y210 HydrophobicContact CB-CD2 3.75Å; A202-Y210 HydrophobicContact CB-CE2 3.9Å; N206-Y210 HydrophobicContact CB-CD2 4.35Å; N206-Y210 HydrophobicContact CB-CE2 3.85Å; N206-Y210 WeakPolarHBondContact O-CD2 3.2Å; N206-Y210 PolarHBondContact O-N 3.02Å; A207-Y210 PolarHBondContact O-N 2.87Å; Y210-G212 VanDerWaalsContact C-N 3.29Å; Y210-G212 PolarHBondContact O-N 3.35Å; Y210-C213 PolarHBondContact O-N 3.38Å; Y210-V214 WeakPolarHBondContact O-CG2 3.32Å; Y210-V214 PolarHBondContact O-N 3.35Å
211	V	75.8	Confident	78.9	Confident	38 Å²	38	63.4 Å²	63.4	23%	0.23	36%	0.357	C	S	.	.	H	α-helix	trans	-59.5	-42.6	173.7	170.7	0	0	0	0	110.8	I195 I198 A207 C213 V214 Q215	I195-V211 HydrophobicContact CD1-CB 4.34Å; I195-V211 HydrophobicContact CD1-CG1 3.87Å; I195-V211 HydrophobicContact CD1-CG2 3.89Å; I195-V211 HydrophobicContact CG2-CG2 4.06Å; I198-V211 HydrophobicContact CG2-CG2 4.19Å; A207-V211 WeakPolarHBondContact O-CG2 3.36Å; A207-V211 PolarHBondContact O-N 2.98Å; V211-C213 PolarHBondContact O-N 3.31Å; V211-V214 PolarHBondContact O-N 3.09Å; V211-Q215 HydrophobicContact CG1-CG 4.45Å; V211-Q215 VanDerWaalsContact O-CG 3.29Å; V211-Q215 WeakPolarHBondContact O-CG 3Å; V211-Q215 PolarHBondContact O-N 3.43Å; V211-Q215 VanDerWaalsContact O-N 3.07Å
212	G	72.6	Confident	79.5	Confident	35 Å²	35	62 Å²	62	36%	0.361	35%	0.353	S	S	.	.	H	α-helix	trans	-56.9	-47.5	174.4	0	0	0	0	0	112.8	A208 L209 Y210 V214 Q215 T216	A208-G212 PolarHBondContact O-N 3.08Å; L209-G212 PolarHBondContact O-N 3.07Å; Y210-G212 VanDerWaalsContact C-N 3.29Å; Y210-G212 PolarHBondContact O-N 3.35Å; G212-V214 PolarHBondContact O-N 3.47Å; G212-Q215 PolarHBondContact O-N 3.17Å; G212-T216 PolarHBondContact O-N 3.27Å; G212-T216 PolarHBondContact O-OG1 3.41Å; G212-T216 VanDerWaalsContact O-OG1 3.09Å
213	C	81.3	Confident	80.2	Confident	62 Å²	62	62.7 Å²	62.7	42%	0.419	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-44.6	179	-66.4	0	0	0	0	112.7	L209 Y210 V211 Q215 T216 I217	L209-C213 PolarHBondContact O-N 3.41Å; L209-C213 PolarHBondContact O-SG 3.21Å; Y210-C213 PolarHBondContact O-N 3.38Å; V211-C213 PolarHBondContact O-N 3.31Å; C213-Q215 VanDerWaalsContact C-N 3.34Å; C213-Q215 PolarHBondContact O-N 2.91Å; C213-T216 PolarHBondContact O-N 2.72Å; C213-I217 WeakPolarHBondContact O-CG1 3.37Å; C213-I217 PolarHBondContact O-N 3.16Å
214	V	85.9	Confident	81.1	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-44.9	177.4	172.7	0	0	0	0	110.7	L38 S39 Y42 I198 Y210 V211 G212 I217 S218	L38-V214 HydrophobicContact CD2-CG1 4.21Å; L38-V214 HydrophobicContact CD2-CG2 4.29Å; L38-V214 HydrophobicContact CG-CG1 4.27Å; S39-V214 WeakPolarHBondContact OG-CG2 3.15Å; Y42-V214 HydrophobicContact CD1-CG1 3.98Å; Y42-V214 HydrophobicContact CD2-CG1 3.58Å; Y42-V214 HydrophobicContact CE1-CG1 4.1Å; Y42-V214 HydrophobicContact CE2-CG1 3.73Å; Y42-V214 HydrophobicContact CG-CG1 3.67Å; I198-V214 HydrophobicContact CD1-CG2 4.11Å; Y210-V214 WeakPolarHBondContact O-CG2 3.32Å; Y210-V214 PolarHBondContact O-N 3.35Å; V211-V214 PolarHBondContact O-N 3.09Å; G212-V214 PolarHBondContact O-N 3.47Å; V214-I217 PolarHBondContact O-N 2.99Å; V214-S218 PolarHBondContact O-N 3.31Å
215	Q	78.8	Confident	82.5	Confident	76 Å²	76	54.7 Å²	54.7	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-38	178.8	-67.2	-70.1	-4.8	0	0	112.3	V211 G212 C213 S218 V219	V211-Q215 HydrophobicContact CG1-CG 4.45Å; V211-Q215 VanDerWaalsContact O-CG 3.29Å; V211-Q215 WeakPolarHBondContact O-CG 3Å; V211-Q215 PolarHBondContact O-N 3.43Å; V211-Q215 VanDerWaalsContact O-N 3.07Å; G212-Q215 PolarHBondContact O-N 3.17Å; C213-Q215 VanDerWaalsContact C-N 3.34Å; C213-Q215 PolarHBondContact O-N 2.91Å; Q215-S218 WeakPolarHBondContact O-CB 3.38Å; Q215-S218 PolarHBondContact O-N 3.1Å; Q215-V219 PolarHBondContact O-N 2.87Å
216	T	79.3	Confident	83.7	Confident	91 Å²	91	46.4 Å²	46.4	56%	0.558	27%	0.272	S	S	*	.	H	α-helix	trans	-62.7	-43.5	174.4	-57.3	0	0	0	0	111.9	G212 C213 S218 V219	G212-T216 PolarHBondContact O-N 3.27Å; G212-T216 PolarHBondContact O-OG1 3.41Å; G212-T216 VanDerWaalsContact O-OG1 3.09Å; C213-T216 PolarHBondContact O-N 2.72Å; T216-S218 PolarHBondContact O-N 2.84Å; T216-V219 WeakPolarHBondContact O-CB 3.14Å; T216-V219 PolarHBondContact O-N 2.91Å
217	I	84.8	Confident	84.8	Confident	64 Å²	64	45.5 Å²	45.5	33%	0.328	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-33.9	176.3	-69.1	167	0	0	0	110.9	S39 F43 C213 V214 V219 V220	S39-I217 WeakPolarHBondContact O-CG2 3.3Å; S39-I217 WeakPolarHBondContact OG-CD1 3.28Å; F43-I217 HydrophobicContact CB-CG2 3.98Å; C213-I217 WeakPolarHBondContact O-CG1 3.37Å; C213-I217 PolarHBondContact O-N 3.16Å; V214-I217 PolarHBondContact O-N 2.99Å; I217-V219 PolarHBondContact O-N 3.13Å; I217-V220 WeakPolarHBondContact O-CB 3.43Å; I217-V220 PolarHBondContact O-N 3Å
218	S	84.9	Confident	86.1	Confident	20 Å²	20	46.4 Å²	46.4	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-27.7	172.4	-163.3	0	0	0	0	113.6	A46 V214 Q215 T216 P222	A46-S218 WeakPolarHBondContact CB-O 3.42Å; V214-S218 PolarHBondContact O-N 3.31Å; Q215-S218 WeakPolarHBondContact O-CB 3.38Å; Q215-S218 PolarHBondContact O-N 3.1Å; T216-S218 PolarHBondContact O-N 2.84Å; S218-P222 WeakPolarHBondContact O-CD 3.39Å
219	V	82.1	Confident	87.3	Confident	55 Å²	55	42.9 Å²	42.9	33%	0.333	24%	0.242	S	C	.	.	H	α-helix	trans	-78.9	-21.5	178.6	-179.9	0	0	0	0	112	Q215 T216 I217 P222 A391	Q215-V219 PolarHBondContact O-N 2.87Å; T216-V219 WeakPolarHBondContact O-CB 3.14Å; T216-V219 PolarHBondContact O-N 2.91Å; I217-V219 PolarHBondContact O-N 3.13Å; V219-P222 WeakPolarHBondContact O-CD 3.41Å; V219-A391 HydrophobicContact CG1-CB 3.43Å; V219-A391 VanDerWaalsContact CG1-CB 3.43Å
220	V	88.8	Confident	88.3	Confident	64 Å²	64	38.7 Å²	38.7	39%	0.388	22%	0.222	S	C	.	.	H	α-helix	trans	-73.1	-36.2	175	-178.9	0	0	0	0	111.2	F43 I217 V223 F224	F43-V220 HydrophobicContact CD2-CG1 4.41Å; F43-V220 HydrophobicContact CE2-CG1 4.21Å; I217-V220 WeakPolarHBondContact O-CB 3.43Å; I217-V220 PolarHBondContact O-N 3Å; V220-V223 WeakPolarHBondContact O-CB 3.44Å; V220-V223 PolarHBondContact O-N 2.83Å; V220-V223 VanDerWaalsContact O-N 3.13Å; V220-F224 HydrophobicContact CG1-CD2 3.76Å; V220-F224 HydrophobicContact CG1-CE2 3.54Å; V220-F224 PolarHBondContact O-N 2.79Å
221	G	92.6	Very high	89.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-50.3	-49.3	179.7	0	0	0	0	0	113.9	L47 V223 F224 G225	L47-G221 WeakPolarHBondContact CA-O 3.38Å; G221-V223 VanDerWaalsContact C-N 3.3Å; G221-V223 PolarHBondContact O-N 3.25Å; G221-F224 PolarHBondContact O-N 3.02Å; G221-F224 VanDerWaalsContact O-N 3.13Å; G221-G225 PolarHBondContact O-N 3.39Å
222	P	94.3	Very high	90.1	Very high	29 Å²	29	39.9 Å²	39.9	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-37.4	179	-31.4	37.2	0	0	0	115.1	A46 S50 S218 V219 G225 Y226 I387	A46-P222 HydrophobicContact CB-CG 4.23Å; S50-P222 VanDerWaalsContact OG-CA 3.29Å; S50-P222 WeakPolarHBondContact OG-CA 3.39Å; S50-P222 PolarHBondContact OG-O 3.49Å; S50-P222 VanDerWaalsContact OG-O 3.06Å; S218-P222 WeakPolarHBondContact O-CD 3.39Å; V219-P222 WeakPolarHBondContact O-CD 3.41Å; P222-G225 PolarHBondContact O-N 3.19Å; P222-Y226 WeakPolarHBondContact O-CD2 3.46Å; P222-Y226 PolarHBondContact O-N 3.33Å; P222-I387 HydrophobicContact CB-CD1 4.22Å; P222-I387 HydrophobicContact CB-CG1 4.47Å; P222-I387 HydrophobicContact CB-CG2 4.08Å
223	V	94.7	Very high	91.2	Very high	29 Å²	29	38.4 Å²	38.4	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-51.9	175.6	176.6	0	0	0	0	109.9	V220 G221 G225 Y226 L227 I387 P388	V220-V223 WeakPolarHBondContact O-CB 3.44Å; V220-V223 PolarHBondContact O-N 2.83Å; V220-V223 VanDerWaalsContact O-N 3.13Å; G221-V223 VanDerWaalsContact C-N 3.3Å; G221-V223 PolarHBondContact O-N 3.25Å; V223-G225 PolarHBondContact O-N 3.36Å; V223-Y226 PolarHBondContact O-N 2.61Å; V223-L227 HydrophobicContact CG1-CD1 4.03Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.38Å; V223-L227 PolarHBondContact O-N 3.48Å; V223-I387 HydrophobicContact CG2-CB 4.1Å; V223-I387 HydrophobicContact CG2-CG2 3.52Å; V223-P388 HydrophobicContact CG2-CG 4.3Å
224	F	95.9	Very high	91.7	Very high	105 Å²	105	42.2 Å²	42.2	46%	0.461	22%	0.224	S	C	.	.	H	α-helix	trans	-67.1	-36	-179	-77.7	-89.6	0	0	0	112.8	F43 L47 V220 G221 L227 L228	F43-F224 HydrophobicContact CE2-CB 4.24Å; F43-F224 AromaticContact CE2-CD2 3.69Å; F43-F224 HydrophobicContact CE2-CD2 3.69Å; F43-F224 HydrophobicContact CE2-CE2 4.29Å; F43-F224 HydrophobicContact CE2-CG 4.07Å; F43-F224 HydrophobicContact CZ-CB 4.14Å; F43-F224 HydrophobicContact CZ-CD2 4.11Å; F43-F224 HydrophobicContact CZ-CG 4.05Å; L47-F224 HydrophobicContact CD1-CB 3.8Å; L47-F224 HydrophobicContact CG-CB 4.39Å; V220-F224 HydrophobicContact CG1-CD2 3.76Å; V220-F224 HydrophobicContact CG1-CE2 3.54Å; V220-F224 PolarHBondContact O-N 2.79Å; G221-F224 PolarHBondContact O-N 3.02Å; G221-F224 VanDerWaalsContact O-N 3.13Å; F224-L227 PolarHBondContact O-N 3.29Å; F224-L228 VanDerWaalsContact O-CB 3.31Å; F224-L228 WeakPolarHBondContact O-CB 3.49Å; F224-L228 PolarHBondContact O-N 3.31Å
225	G	96.8	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-37	177.4	0	0	0	0	0	113.2	S50 G221 P222 V223 L228 G229	S50-G225 WeakPolarHBondContact OG-CA 3.08Å; G221-G225 PolarHBondContact O-N 3.39Å; P222-G225 PolarHBondContact O-N 3.19Å; V223-G225 PolarHBondContact O-N 3.36Å; G225-L228 PolarHBondContact O-N 3.08Å; G225-G229 PolarHBondContact O-N 2.96Å
226	Y	97	Very high	92.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-69.4	-36.6	172	-87.2	-68	0	0	0	112.7	P222 V223 G229 S230 P364 N379 M382 I387	P222-Y226 WeakPolarHBondContact O-CD2 3.46Å; P222-Y226 PolarHBondContact O-N 3.33Å; V223-Y226 PolarHBondContact O-N 2.61Å; Y226-G229 PolarHBondContact O-N 2.75Å; Y226-S230 PolarHBondContact O-N 2.93Å; Y226-P364 HydrophobicContact CE1-CG 3.84Å; Y226-N379 HydrophobicContact CD1-CB 4.42Å; Y226-M382 HydrophobicContact CD1-CB 3.83Å; Y226-M382 HydrophobicContact CD2-CB 4.42Å; Y226-M382 HydrophobicContact CE1-CB 3.96Å; Y226-M382 HydrophobicContact CE1-CG 4.47Å; Y226-M382 HydrophobicContact CG-CB 4.08Å; Y226-I387 HydrophobicContact CD2-CD1 4.42Å; Y226-I387 HydrophobicContact CD2-CG1 4.09Å; Y226-I387 HydrophobicContact CE2-CD1 4.15Å; Y226-I387 HydrophobicContact CE2-CG1 4.28Å
227	L	97.4	Very high	93.2	Very high	47 Å²	47	37.1 Å²	37.1	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-45.2	173.1	-74.2	176.1	0	0	0	111.7	V223 F224 G229 S230 L231 F380 V384	V223-L227 HydrophobicContact CG1-CD1 4.03Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.38Å; V223-L227 PolarHBondContact O-N 3.48Å; F224-L227 PolarHBondContact O-N 3.29Å; L227-G229 VanDerWaalsContact C-N 3.29Å; L227-G229 PolarHBondContact O-N 3Å; L227-S230 WeakPolarHBondContact O-CB 3.24Å; L227-S230 PolarHBondContact O-N 2.62Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L227-L231 WeakPolarHBondContact O-CG 3.43Å; L227-L231 PolarHBondContact O-N 3.49Å; L227-F380 HydrophobicContact CD2-CD2 3.74Å; L227-F380 HydrophobicContact CD2-CE2 3.96Å; L227-V384 HydrophobicContact CD2-CG2 3.64Å
228	L	97.2	Very high	93.3	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.12	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-42.1	173.8	-176.6	61	0	0	0	111	L47 Y51 F224 G225 S230 L231 C232 I266	L47-L228 HydrophobicContact CD2-CD2 4.26Å; Y51-L228 HydrophobicContact CD2-CB 4.14Å; Y51-L228 HydrophobicContact CD2-CD2 4.07Å; Y51-L228 HydrophobicContact CD2-CG 3.94Å; Y51-L228 HydrophobicContact CE2-CB 4.44Å; Y51-L228 HydrophobicContact CE2-CD2 4.32Å; Y51-L228 HydrophobicContact CE2-CG 3.92Å; F224-L228 VanDerWaalsContact O-CB 3.31Å; F224-L228 WeakPolarHBondContact O-CB 3.49Å; F224-L228 PolarHBondContact O-N 3.31Å; G225-L228 PolarHBondContact O-N 3.08Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 3.49Å; L228-L231 PolarHBondContact O-N 3Å; L228-C232 WeakPolarHBondContact O-CB 3.36Å; L228-C232 PolarHBondContact O-N 3.42Å; L228-C232 PolarHBondContact O-SG 2.72Å; L228-I266 HydrophobicContact CD1-CD1 3.9Å; L228-I266 HydrophobicContact CD1-CG2 4.42Å; L228-I266 HydrophobicContact CD2-CB 4.26Å; L228-I266 HydrophobicContact CD2-CG2 4.07Å
229	G	96.9	Very high	93.3	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-42.2	172	0	0	0	0	0	113.5	S54 G225 Y226 L227 A233	S54-G229 VanDerWaalsContact OG-CA 3.26Å; S54-G229 WeakPolarHBondContact OG-CA 3.38Å; G225-G229 PolarHBondContact O-N 2.96Å; Y226-G229 PolarHBondContact O-N 2.75Å; L227-G229 VanDerWaalsContact C-N 3.29Å; L227-G229 PolarHBondContact O-N 3Å; G229-A233 WeakPolarHBondContact O-CB 3.33Å; G229-A233 PolarHBondContact O-N 2.97Å
230	S	97.3	Very high	93	Very high	15 Å²	15	38.8 Å²	38.8	11%	0.105	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-47.2	176	-177.8	0	0	0	0	112.2	Y226 L227 L228 A233 K234 S376 F380	Y226-S230 PolarHBondContact O-N 2.93Å; L227-S230 WeakPolarHBondContact O-CB 3.24Å; L227-S230 PolarHBondContact O-N 2.62Å; L227-S230 VanDerWaalsContact O-N 3.14Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 3.49Å; S230-A233 PolarHBondContact O-N 3.47Å; S230-K234 PolarHBondContact O-N 3.49Å; S230-S376 WeakPolarHBondContact CB-O 3.32Å; S230-S376 VanDerWaalsContact O-CB 3.26Å; S230-S376 WeakPolarHBondContact O-CB 3.09Å; S230-S376 PolarHBondContact OG-O 2.81Å; S230-F380 WeakPolarHBondContact OG-CB 3.38Å
231	L	96.9	Very high	92.4	Very high	111 Å²	111	42.5 Å²	42.5	58%	0.581	23%	0.229	S	C	*	.	H	α-helix	trans	-62.1	-50.1	178.4	-67.5	173.4	0	0	0	111.1	L227 L228 A233 K234 I235	L227-L231 WeakPolarHBondContact O-CG 3.43Å; L227-L231 PolarHBondContact O-N 3.49Å; L228-L231 PolarHBondContact O-N 3Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 2.91Å; L231-K234 PolarHBondContact O-N 2.84Å; L231-I235 WeakPolarHBondContact O-CG1 3.37Å; L231-I235 PolarHBondContact O-N 3.49Å
232	C	96.5	Very high	91.6	Very high	4 Å²	4	45 Å²	45	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-37.5	-179.5	-63.6	0	0	0	0	111.9	Y51 L228 K234 I235 G258 A259	Y51-C232 HydrophobicContact CE2-CB 4.32Å; L228-C232 WeakPolarHBondContact O-CB 3.36Å; L228-C232 PolarHBondContact O-N 3.42Å; L228-C232 PolarHBondContact O-SG 2.72Å; C232-K234 VanDerWaalsContact C-N 3.26Å; C232-K234 PolarHBondContact O-N 3.16Å; C232-I235 PolarHBondContact O-N 2.8Å; C232-I235 VanDerWaalsContact O-O 3.06Å; C232-G258 CarbonylContact O-C 3.5Å; C232-A259 WeakPolarHBondContact CB-O 3.33Å; C232-A259 PolarHBondContact O-N 3.43Å
233	A	95	Very high	90.5	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-66.2	-26.1	176.5	0	0	0	0	0	113.3	G229 S230 L231 W256 A375	G229-A233 WeakPolarHBondContact O-CB 3.33Å; G229-A233 PolarHBondContact O-N 2.97Å; S230-A233 PolarHBondContact O-N 3.47Å; L231-A233 VanDerWaalsContact C-N 3.35Å; L231-A233 PolarHBondContact O-N 2.91Å; A233-W256 PolarHBondContact O-NE1 3.2Å; A233-A375 HydrophobicContact CB-CB 4.21Å
234	K	93.5	Very high	89.6	Confident	142 Å²	142	55.5 Å²	55.5	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-78.3	-25.8	177.5	-170.6	178.9	178.3	-176	0	112.8	S230 L231 C232 W256	S230-K234 PolarHBondContact O-N 3.49Å; L231-K234 PolarHBondContact O-N 2.84Å; C232-K234 VanDerWaalsContact C-N 3.26Å; C232-K234 PolarHBondContact O-N 3.16Å; K234-W256 WeakPolarHBondContact O-CZ2 3.49Å
235	I	92.3	Very high	88.4	Confident	55 Å²	55	57 Å²	57	28%	0.282	30%	0.301	S	S	.	.	S	Bend	trans	-89.4	131.5	-178.5	-63.2	166.6	0	0	0	108.9	L231 C232 I239 G258 A259	L231-I235 WeakPolarHBondContact O-CG1 3.37Å; L231-I235 PolarHBondContact O-N 3.49Å; C232-I235 PolarHBondContact O-N 2.8Å; C232-I235 VanDerWaalsContact O-O 3.06Å; I235-I239 HydrophobicContact CG2-CB 3.89Å; I235-I239 HydrophobicContact CG2-CD1 3.47Å; I235-I239 VanDerWaalsContact CG2-CD1 3.47Å; I235-I239 HydrophobicContact CG2-CG1 4.23Å; I235-I239 HydrophobicContact CG2-CG2 4.14Å; I235-G258 CarbonylContact O-C 3.59Å; I235-G258 WeakPolarHBondContact O-CA 3.4Å; I235-A259 HydrophobicContact CB-CB 4.19Å; I235-A259 HydrophobicContact CG2-CB 3.99Å; I235-A259 PolarHBondContact O-N 2.77Å
236	Y	91.8	Very high	87.1	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.027	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-63.8	144.4	178.1	-171.7	-110.6	0	0	0	111.9	Y125 F127 D238 I239 I247 I249 W256	Y125-Y236 HydrophobicContact CD1-CE2 4.36Å; F127-Y236 WeakPolarHBondContact CD1-OH 3.49Å; F127-Y236 WeakPolarHBondContact CE1-OH 3.44Å; Y236-D238 VanDerWaalsContact C-N 3.33Å; Y236-D238 HydrophobicContact CD1-CB 4.32Å; Y236-D238 HydrophobicContact CE1-CB 4.12Å; Y236-D238 PolarHBondContact O-N 3.1Å; Y236-I239 PolarHBondContact O-N 3.16Å; Y236-I247 HydrophobicContact CD1-CD1 3.73Å; Y236-I247 HydrophobicContact CD2-CD1 4.4Å; Y236-I247 HydrophobicContact CE1-CD1 3.77Å; Y236-I247 HydrophobicContact CE2-CD1 4.44Å; Y236-I247 HydrophobicContact CG-CD1 4.04Å; Y236-I249 HydrophobicContact CE2-CD1 4.07Å; Y236-W256 HydrophobicContact CD2-CD2 4.28Å; Y236-W256 AromaticContact CD2-CE3 3.97Å; Y236-W256 HydrophobicContact CD2-CE3 3.97Å; Y236-W256 AromaticContact CD2-CH2 3.9Å; Y236-W256 HydrophobicContact CD2-CH2 3.9Å; Y236-W256 HydrophobicContact CD2-CZ2 4.2Å; Y236-W256 AromaticContact CD2-CZ3 3.77Å; Y236-W256 HydrophobicContact CD2-CZ3 3.77Å; Y236-W256 HydrophobicContact CG-CH2 4.24Å; Y236-W256 HydrophobicContact CG-CZ3 4.46Å
237	V	90.8	Very high	86.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-40.7	-172.1	62.5	0	0	0	0	114.8	H119 Y125 I239 V257 W261	H119-V237 PolarHBondContact CE1-O 2.96Å; Y125-V237 HydrophobicContact CD1-CG1 3.76Å; Y125-V237 HydrophobicContact CG-CG1 3.89Å; V237-I239 PolarHBondContact O-N 3.37Å; V237-V257 HydrophobicContact CB-CB 4.26Å; V237-V257 HydrophobicContact CB-CG1 3.93Å; V237-V257 WeakPolarHBondContact CB-O 3.46Å; V237-V257 HydrophobicContact CG1-CB 4.18Å; V237-V257 HydrophobicContact CG1-CG1 4.28Å; V237-V257 HydrophobicContact CG2-CG1 4.09Å; V237-V257 PolarHBondContact N-O 3.38Å; V237-W261 PolarHBondContact O-NE1 3.4Å
238	D	86.8	Confident	85.4	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.043	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	46	-178.6	-62.7	-38.1	0	0	0	111.9	H119 Y125 Y236 G240 F241 V242	H119-D238 IonicContact CE1-OD1 3.1Å; H119-D238 PolarHBondContact CE1-OD1 2.89Å; Y125-D238 WeakPolarHBondContact CB-OD2 3.44Å; Y125-D238 PolarHBondContact N-OD2 3.34Å; Y236-D238 VanDerWaalsContact C-N 3.33Å; Y236-D238 HydrophobicContact CD1-CB 4.32Å; Y236-D238 HydrophobicContact CE1-CB 4.12Å; Y236-D238 PolarHBondContact O-N 3.1Å; D238-G240 PolarHBondContact O-N 3.26Å; D238-F241 PolarHBondContact O-N 2.99Å; D238-V242 HydrophobicContact CB-CG2 4.09Å; D238-V242 PolarHBondContact O-N 3.48Å
239	I	84.1	Confident	84.8	Confident	89 Å²	89	56.9 Å²	56.9	46%	0.456	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.8	177.3	-178.8	161.8	0	0	0	111.4	I235 Y236 V237 F241 W261	I235-I239 HydrophobicContact CG2-CB 3.89Å; I235-I239 HydrophobicContact CG2-CD1 3.47Å; I235-I239 VanDerWaalsContact CG2-CD1 3.47Å; I235-I239 HydrophobicContact CG2-CG1 4.23Å; I235-I239 HydrophobicContact CG2-CG2 4.14Å; Y236-I239 PolarHBondContact O-N 3.16Å; V237-I239 PolarHBondContact O-N 3.37Å; I239-F241 WeakPolarHBondContact O-CD2 3.47Å; I239-F241 PolarHBondContact O-N 3.13Å; I239-W261 HydrophobicContact CG2-CZ2 4.24Å
240	G	76.7	Confident	84.2	Confident	77 Å²	77	58.8 Å²	58.8	79%	0.794	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-15	179.5	0	0	0	0	0	114.7	D238	D238-G240 PolarHBondContact O-N 3.26Å
241	F	74.9	Confident	83.6	Confident	142 Å²	142	60 Å²	60	62%	0.623	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-22	178.4	-60.8	-76.7	0	0	0	113.7	D238 I239	D238-F241 PolarHBondContact O-N 2.99Å; I239-F241 WeakPolarHBondContact O-CD2 3.47Å; I239-F241 PolarHBondContact O-N 3.13Å
242	V	75.8	Confident	83	Confident	53 Å²	53	57.1 Å²	57.1	32%	0.321	32%	0.316	S	S	.	.	S	Bend	trans	-121.1	136.6	179.5	-174.8	0	0	0	0	110.4	D238 M244 I247	D238-V242 HydrophobicContact CB-CG2 4.09Å; D238-V242 PolarHBondContact O-N 3.48Å; V242-M244 PolarHBondContact O-N 3.07Å; V242-I247 HydrophobicContact CB-CD1 4.38Å; V242-I247 HydrophobicContact CG1-CD1 3.76Å; V242-I247 HydrophobicContact CG1-CG1 3.79Å
243	K	71.9	Confident	82.5	Confident	170 Å²	170	57.3 Å²	57.3	74%	0.739	32%	0.316	S	S	*	.			trans	-73.4	118.9	173.2	-67.6	-177	-178.4	179.3	0	109.3	D245 S246	K243-D245 PolarHBondContact O-N 3.22Å; K243-D245 VanDerWaalsContact O-N 3.13Å; K243-S246 PolarHBondContact O-N 3.13Å; K243-S246 PolarHBondContact O-OG 3.36Å
244	M	75.8	Confident	82	Confident	107 Å²	107	57.6 Å²	57.6	53%	0.527	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-56.5	-32.4	-178	-165.1	68.3	83.5	0	0	112.6	V242 S246 I247 W256	V242-M244 PolarHBondContact O-N 3.07Å; M244-S246 PolarHBondContact O-N 3.03Å; M244-I247 WeakPolarHBondContact O-CB 3.17Å; M244-I247 PolarHBondContact O-N 3.21Å; M244-I247 VanDerWaalsContact O-N 3.09Å; M244-I247 HydrophobicContact SD-CD1 3.95Å; M244-W256 HydrophobicContact CE-CH2 4.36Å; M244-W256 HydrophobicContact SD-CH2 4.33Å
245	D	70.5	Confident	81.8	Confident	138 Å²	138	50.9 Å²	50.9	74%	0.738	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-67	-16.8	179.5	-53.5	-40.5	0	0	0	114.1	K243 G500	K243-D245 PolarHBondContact O-N 3.22Å; K243-D245 VanDerWaalsContact O-N 3.13Å; D245-G500 WeakPolarHBondContact O-CA 3.28Å
246	S	69.8	Low	81.8	Confident	50 Å²	50	48.6 Å²	48.6	35%	0.35	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-90.4	-11.3	175.7	66.2	0	0	0	0	113.4	K243 M244	K243-S246 PolarHBondContact O-N 3.13Å; K243-S246 PolarHBondContact O-OG 3.36Å; M244-S246 PolarHBondContact O-N 3.03Å
247	I	80.3	Confident	81.8	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.036	28%	0.276	C	S	.	.			trans	-85.8	129.1	-176.2	-58.3	-179.9	0	0	0	109.5	F127 Y236 V242 M244 I249 G500 K501	F127-I247 HydrophobicContact CZ-CG2 4.33Å; Y236-I247 HydrophobicContact CD1-CD1 3.73Å; Y236-I247 HydrophobicContact CD2-CD1 4.4Å; Y236-I247 HydrophobicContact CE1-CD1 3.77Å; Y236-I247 HydrophobicContact CE2-CD1 4.44Å; Y236-I247 HydrophobicContact CG-CD1 4.04Å; V242-I247 HydrophobicContact CB-CD1 4.38Å; V242-I247 HydrophobicContact CG1-CD1 3.76Å; V242-I247 HydrophobicContact CG1-CG1 3.79Å; M244-I247 WeakPolarHBondContact O-CB 3.17Å; M244-I247 PolarHBondContact O-N 3.21Å; M244-I247 VanDerWaalsContact O-N 3.09Å; M244-I247 HydrophobicContact SD-CD1 3.95Å; I247-I249 HydrophobicContact CG2-CB 4.48Å; I247-I249 HydrophobicContact CG2-CD1 4.4Å; I247-I249 HydrophobicContact CG2-CG1 3.41Å; I247-I249 VanDerWaalsContact CG2-CG1 3.41Å; I247-G500 CarbonylContact O-C 3.53Å; I247-K501 PolarHBondContact O-N 3.34Å
248	T	78	Confident	82	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.043	28%	0.276	C	S	.	.			trans	-84.7	-17.1	-179.1	54.2	0	0	0	0	113.7	G500 T521	T248-G500 WeakPolarHBondContact CG2-O 3.31Å; T248-T521 HydrophobicContact CG2-CG2 4.39Å
249	I	84.6	Confident	82.4	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.036	27%	0.274	C	S	.	.			trans	-98.9	157.8	-172.4	58.7	169.7	0	0	0	113.5	F127 Y236 I247 D253 R255 W256	F127-I249 HydrophobicContact CD1-CD1 4.21Å; F127-I249 HydrophobicContact CD2-CD1 4.33Å; F127-I249 HydrophobicContact CD2-CG2 4.28Å; F127-I249 HydrophobicContact CE1-CD1 4.31Å; F127-I249 HydrophobicContact CE2-CD1 4.42Å; F127-I249 HydrophobicContact CE2-CG1 4.42Å; F127-I249 HydrophobicContact CE2-CG2 4.1Å; F127-I249 HydrophobicContact CG-CD1 4.22Å; F127-I249 HydrophobicContact CZ-CD1 4.41Å; F127-I249 HydrophobicContact CZ-CG1 4.35Å; Y236-I249 HydrophobicContact CE2-CD1 4.07Å; I247-I249 HydrophobicContact CG2-CB 4.48Å; I247-I249 HydrophobicContact CG2-CD1 4.4Å; I247-I249 HydrophobicContact CG2-CG1 3.41Å; I247-I249 VanDerWaalsContact CG2-CG1 3.41Å; I249-D253 HydrophobicContact CB-CB 4.1Å; I249-D253 HydrophobicContact CG2-CB 4.38Å; I249-R255 HydrophobicContact CD1-CB 4.34Å; I249-R255 HydrophobicContact CG2-CB 4.5Å; I249-W256 HydrophobicContact CD1-CE3 4.19Å; I249-W256 HydrophobicContact CG1-CE3 4.08Å
250	T	84.8	Confident	82.9	Confident	42 Å²	42	43.7 Å²	43.7	26%	0.258	25%	0.253	S	S	.	.			trans	-121.6	165.5	178.2	69.2	0	0	0	0	111.3	A252 D253 W256 K501	T250-A252 PolarHBondContact O-N 3Å; T250-D253 VanDerWaalsContact O-CB 3.31Å; T250-D253 WeakPolarHBondContact O-CB 3.2Å; T250-D253 PolarHBondContact O-N 3.07Å; T250-W256 VanDerWaalsContact C-CE3 3.43Å; T250-W256 WeakPolarHBondContact O-CB 3.46Å; T250-K501 HydrophobicContact CG2-CD 3.8Å; T250-K501 VanDerWaalsContact CG2-CE 3.48Å; T250-K501 HydrophobicContact CG2-CG 4.31Å
251	P	85	Confident	83.8	Confident	39 Å²	39	41.6 Å²	41.6	25%	0.253	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-8.5	175.4	-26.2	34.6	0	0	0	116.5	W256 S374	P251-W256 HydrophobicContact CB-CD2 4.33Å; P251-W256 HydrophobicContact CG-CD2 4.22Å; P251-W256 HydrophobicContact CG-CE3 4.47Å; P251-W256 HydrophobicContact CG-CH2 4.08Å; P251-W256 HydrophobicContact CG-CZ2 3.81Å; P251-W256 HydrophobicContact CG-CZ3 4.4Å; P251-S374 VanDerWaalsContact O-CB 3.31Å; P251-S374 WeakPolarHBondContact O-CB 3.49Å
252	A	83.3	Confident	84.8	Confident	52 Å²	52	37.1 Å²	37.1	43%	0.43	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.9	173.6	0	0	0	0	0	113.3	T250	T250-A252 PolarHBondContact O-N 3Å
253	D	86.1	Confident	85.8	Confident	7 Å²	7	34.6 Å²	34.6	4%	0.037	19%	0.188	C	C	.	.	S	Bend	trans	-78	139.6	179.6	-166.5	-53.4	0	0	0	110.7	I249 T250 R255 W256	I249-D253 HydrophobicContact CB-CB 4.1Å; I249-D253 HydrophobicContact CG2-CB 4.38Å; T250-D253 VanDerWaalsContact O-CB 3.31Å; T250-D253 WeakPolarHBondContact O-CB 3.2Å; T250-D253 PolarHBondContact O-N 3.07Å; D253-R255 PolarHBondContact O-N 3.36Å; D253-R255 VanDerWaalsContact O-N 3.15Å; D253-R255 WeakPolarHBondContact OD1-CB 3.38Å; D253-R255 PolarHBondContact OD1-N 3.46Å; D253-R255 IonicContact OD1-NE 3.14Å; D253-R255 PolarHBondContact OD1-NE 3.33Å; D253-R255 IonicContact OD2-CZ 2.84Å; D253-R255 IonicContact OD2-NE 3.74Å; D253-R255 IonicContact OD2-NH2 3.86Å; D253-R255 PolarHBondContact OD2-NH2 3.31Å; D253-R255 VanDerWaalsContact OD2-NH2 3.09Å; D253-W256 VanDerWaalsContact O-CB 3.25Å; D253-W256 WeakPolarHBondContact O-CB 3.43Å; D253-W256 PolarHBondContact O-N 3.01Å
254	A	85.4	Confident	87	Confident	10 Å²	10	26.6 Å²	26.6	8%	0.083	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.9	178.5	0	0	0	0	0	114	R61	R61-A254 WeakPolarHBondContact CD-O 3.39Å; R61-A254 PolarHBondContact NE-O 3.38Å
255	R	89.3	Confident	88.1	Confident	2 Å²	2	24 Å²	24	1%	0.008	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.7	172.6	-64.4	173.8	-71.5	-179.7	-6.2	113.5	Y125 F127 E128 I249 D253 V257 W474 D475	Y125-R255 WeakPolarHBondContact CE1-O 3.4Å; Y125-R255 PolarHBondContact OH-O 3.16Å; F127-R255 HydrophobicContact CB-CB 4.37Å; E128-R255 PolarHBondContact O-NH1 3.07Å; I249-R255 HydrophobicContact CD1-CB 4.34Å; I249-R255 HydrophobicContact CG2-CB 4.5Å; D253-R255 PolarHBondContact O-N 3.36Å; D253-R255 VanDerWaalsContact O-N 3.15Å; D253-R255 WeakPolarHBondContact OD1-CB 3.38Å; D253-R255 PolarHBondContact OD1-N 3.46Å; D253-R255 IonicContact OD1-NE 3.14Å; D253-R255 PolarHBondContact OD1-NE 3.33Å; D253-R255 IonicContact OD2-CZ 2.84Å; D253-R255 IonicContact OD2-NE 3.74Å; D253-R255 IonicContact OD2-NH2 3.86Å; D253-R255 PolarHBondContact OD2-NH2 3.31Å; D253-R255 VanDerWaalsContact OD2-NH2 3.09Å; R255-V257 PolarHBondContact O-N 3.48Å; R255-W474 WeakPolarHBondContact CD-O 3.41Å; R255-D475 IonicContact CZ-OD1 3.09Å; R255-D475 VanDerWaalsContact CZ-OD1 3.27Å; R255-D475 VanDerWaalsContact NH1-CG 3.28Å; R255-D475 IonicContact NH1-OD1 3.2Å; R255-D475 PolarHBondContact NH1-OD1 3.38Å; R255-D475 IonicContact NH2-OD1 3.58Å; R255-D475 PolarHBondContact NH2-OD1 3.38Å
256	W	91.7	Very high	89.4	Confident	7 Å²	7	20.5 Å²	20.5	3%	0.027	12%	0.122	C	C	.	.			trans	-69.4	124.4	-178.9	-178.2	-86.3	0	0	0	111.3	R61 A233 K234 Y236 M244 I249 T250 P251 D253	R61-W256 WeakPolarHBondContact CD-O 3.31Å; R61-W256 PolarHBondContact NH1-O 3.49Å; A233-W256 PolarHBondContact O-NE1 3.2Å; K234-W256 WeakPolarHBondContact O-CZ2 3.49Å; Y236-W256 HydrophobicContact CD2-CD2 4.28Å; Y236-W256 AromaticContact CD2-CE3 3.97Å; Y236-W256 HydrophobicContact CD2-CE3 3.97Å; Y236-W256 AromaticContact CD2-CH2 3.9Å; Y236-W256 HydrophobicContact CD2-CH2 3.9Å; Y236-W256 HydrophobicContact CD2-CZ2 4.2Å; Y236-W256 AromaticContact CD2-CZ3 3.77Å; Y236-W256 HydrophobicContact CD2-CZ3 3.77Å; Y236-W256 HydrophobicContact CG-CH2 4.24Å; Y236-W256 HydrophobicContact CG-CZ3 4.46Å; M244-W256 HydrophobicContact CE-CH2 4.36Å; M244-W256 HydrophobicContact SD-CH2 4.33Å; I249-W256 HydrophobicContact CD1-CE3 4.19Å; I249-W256 HydrophobicContact CG1-CE3 4.08Å; T250-W256 VanDerWaalsContact C-CE3 3.43Å; T250-W256 WeakPolarHBondContact O-CB 3.46Å; P251-W256 HydrophobicContact CB-CD2 4.33Å; P251-W256 HydrophobicContact CG-CD2 4.22Å; P251-W256 HydrophobicContact CG-CE3 4.47Å; P251-W256 HydrophobicContact CG-CH2 4.08Å; P251-W256 HydrophobicContact CG-CZ2 3.81Å; P251-W256 HydrophobicContact CG-CZ3 4.4Å; D253-W256 VanDerWaalsContact O-CB 3.25Å; D253-W256 WeakPolarHBondContact O-CB 3.43Å; D253-W256 PolarHBondContact O-N 3.01Å
257	V	93.3	Very high	90.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.			trans	-116	119.4	170.6	-178.2	0	0	0	0	107.7	R61 R62 Y125 V237 R255	R61-V257 HydrophobicContact CB-CG2 3.56Å; R62-V257 HydrophobicContact CB-CG1 4.07Å; Y125-V257 HydrophobicContact CD1-CB 4.23Å; Y125-V257 HydrophobicContact CD1-CG2 4.3Å; Y125-V257 HydrophobicContact CD2-CG2 4.44Å; Y125-V257 HydrophobicContact CE1-CB 3.96Å; Y125-V257 HydrophobicContact CE1-CG2 3.66Å; Y125-V257 HydrophobicContact CE2-CG2 3.81Å; Y125-V257 WeakPolarHBondContact OH-CG2 3.34Å; V237-V257 HydrophobicContact CB-CB 4.26Å; V237-V257 HydrophobicContact CB-CG1 3.93Å; V237-V257 WeakPolarHBondContact CB-O 3.46Å; V237-V257 HydrophobicContact CG1-CB 4.18Å; V237-V257 HydrophobicContact CG1-CG1 4.28Å; V237-V257 HydrophobicContact CG2-CG1 4.09Å; V237-V257 PolarHBondContact N-O 3.38Å; R255-V257 PolarHBondContact O-N 3.48Å
258	G	93.8	Very high	91.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-79	168.9	173.7	0	0	0	0	0	112.3	C232 I235 W260	C232-G258 CarbonylContact O-C 3.5Å; I235-G258 CarbonylContact O-C 3.59Å; I235-G258 WeakPolarHBondContact O-CA 3.4Å; G258-W260 VanDerWaalsContact O-CD1 3.26Å; G258-W260 PolarHBondContact O-N 3.1Å
259	A	94.9	Very high	92.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.122	C	C	.	.			trans	-71.5	60.3	179.9	0	0	0	0	0	112.8	C232 I235 W261 L262	C232-A259 WeakPolarHBondContact CB-O 3.33Å; C232-A259 PolarHBondContact O-N 3.43Å; I235-A259 HydrophobicContact CB-CB 4.19Å; I235-A259 HydrophobicContact CG2-CB 3.99Å; I235-A259 PolarHBondContact O-N 2.77Å; A259-W261 PolarHBondContact O-N 3.21Å; A259-L262 HydrophobicContact CB-CB 4.22Å; A259-L262 WeakPolarHBondContact O-CB 3.25Å; A259-L262 PolarHBondContact O-N 3.35Å; A259-L262 VanDerWaalsContact O-N 3.1Å
260	W	95.4	Very high	93.1	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-31.9	-176.6	60.9	-94.2	0	0	0	113.1	Y51 T55 Q58 L59 R62 F63 I115 P118 H119 G258 L262 Y264	Y51-W260 WeakPolarHBondContact CE1-O 3.32Å; Y51-W260 VanDerWaalsContact OH-C 3.31Å; Y51-W260 WeakPolarHBondContact OH-CA 3.32Å; Y51-W260 PolarHBondContact OH-O 3.2Å; T55-W260 HydrophobicContact CG2-CB 4.16Å; Q58-W260 HydrophobicContact CB-CB 3.95Å; Q58-W260 HydrophobicContact CB-CG 4.4Å; L59-W260 HydrophobicContact CD2-CD2 3.99Å; L59-W260 HydrophobicContact CD2-CE3 3.77Å; L59-W260 HydrophobicContact CD2-CZ3 4.12Å; R62-W260 HydrophobicContact CG-CZ2 4.09Å; F63-W260 HydrophobicContact CE2-CH2 4.39Å; F63-W260 HydrophobicContact CE2-CZ2 4.37Å; F63-W260 HydrophobicContact CZ-CH2 4.1Å; F63-W260 HydrophobicContact CZ-CZ2 4.16Å; I115-W260 VanDerWaalsContact O-CZ3 3.3Å; I115-W260 WeakPolarHBondContact O-CZ3 3.31Å; P118-W260 HydrophobicContact CB-CH2 4.41Å; H119-W260 HydrophobicContact CB-CH2 4.1Å; H119-W260 HydrophobicContact CB-CZ2 3.93Å; G258-W260 VanDerWaalsContact O-CD1 3.26Å; G258-W260 PolarHBondContact O-N 3.1Å; W260-L262 VanDerWaalsContact C-N 3.34Å; W260-L262 PolarHBondContact O-N 3.39Å; W260-Y264 AromaticContact CE3-CD2 3.88Å; W260-Y264 HydrophobicContact CE3-CD2 3.88Å; W260-Y264 AromaticContact CE3-CE2 3.88Å; W260-Y264 HydrophobicContact CE3-CE2 3.88Å; W260-Y264 HydrophobicContact CZ3-CD2 4.29Å; W260-Y264 HydrophobicContact CZ3-CE2 4.45Å; W260-Y264 WeakPolarHBondContact O-CD2 3.41Å
261	W	95.6	Very high	93.7	Very high	32 Å²	32	20.3 Å²	20.3	12%	0.121	12%	0.117	C	C	.	.	H	α-helix	trans	-67.3	-32.8	178.4	60.3	-93	0	0	0	112.6	A116 H119 F120 V237 I239 A259 G263 Y264 L265	A116-W261 HydrophobicContact CB-CB 4.38Å; H119-W261 HydrophobicContact CB-CB 3.67Å; H119-W261 HydrophobicContact CB-CG 3.79Å; H119-W261 AromaticContact CD2-CD1 3.31Å; H119-W261 AromaticContact CD2-CD2 3.5Å; H119-W261 VanDerWaalsContact CD2-CD2 3.5Å; H119-W261 AromaticContact CD2-CE2 3.44Å; H119-W261 VanDerWaalsContact CD2-CE2 3.44Å; H119-W261 AromaticContact CD2-CG 3.44Å; H119-W261 VanDerWaalsContact CD2-CG 3.44Å; H119-W261 AromaticContact CD2-NE1 3.31Å; H119-W261 PolarHBondContact CD2-NE1 2.94Å; H119-W261 VanDerWaalsContact CD2-NE1 3.31Å; H119-W261 AromaticContact CE1-CD1 3.6Å; H119-W261 AromaticContact CE1-NE1 3.33Å; H119-W261 PolarHBondContact CE1-NE1 3.35Å; H119-W261 VanDerWaalsContact CE1-NE1 3.33Å; H119-W261 AromaticContact CG-CD1 3.22Å; H119-W261 AromaticContact CG-CG 3.49Å; H119-W261 VanDerWaalsContact CG-CG 3.49Å; H119-W261 AromaticContact CG-NE1 3.66Å; H119-W261 AromaticContact ND1-CD1 3.41Å; H119-W261 AromaticContact ND1-NE1 3.67Å; H119-W261 AromaticContact NE2-CD1 3.54Å; H119-W261 AromaticContact NE2-CD2 3.97Å; H119-W261 AromaticContact NE2-CE2 3.37Å; H119-W261 AromaticContact NE2-CZ2 3.84Å; H119-W261 AromaticContact NE2-NE1 3.07Å; H119-W261 PolarHBondContact NE2-NE1 3.2Å; F120-W261 HydrophobicContact CE1-CE3 4.39Å; F120-W261 HydrophobicContact CE1-CZ3 4.31Å; F120-W261 HydrophobicContact CE2-CE3 4.25Å; F120-W261 HydrophobicContact CZ-CD2 4.3Å; F120-W261 AromaticContact CZ-CE3 3.58Å; F120-W261 HydrophobicContact CZ-CE3 3.58Å; F120-W261 AromaticContact CZ-CZ3 3.76Å; F120-W261 HydrophobicContact CZ-CZ3 3.76Å; V237-W261 PolarHBondContact O-NE1 3.4Å; I239-W261 HydrophobicContact CG2-CZ2 4.24Å; A259-W261 PolarHBondContact O-N 3.21Å; W261-G263 PolarHBondContact O-N 3.47Å; W261-Y264 WeakPolarHBondContact O-CB 3.48Å; W261-Y264 PolarHBondContact O-N 2.6Å; W261-L265 HydrophobicContact CE3-CD1 3.7Å; W261-L265 HydrophobicContact CE3-CG 4.3Å; W261-L265 HydrophobicContact CZ3-CD1 3.65Å; W261-L265 PolarHBondContact O-N 2.83Å; W261-L265 VanDerWaalsContact O-N 3.12Å
262	L	96.3	Very high	94.3	Very high	49 Å²	49	21.8 Å²	21.8	26%	0.257	12%	0.122	S	C	.	.	H	α-helix	trans	-64.1	-46.5	-174.2	177.3	61.4	0	0	0	111.5	A259 W260 Y264 L265 I266	A259-L262 HydrophobicContact CB-CB 4.22Å; A259-L262 WeakPolarHBondContact O-CB 3.25Å; A259-L262 PolarHBondContact O-N 3.35Å; A259-L262 VanDerWaalsContact O-N 3.1Å; W260-L262 VanDerWaalsContact C-N 3.34Å; W260-L262 PolarHBondContact O-N 3.39Å; L262-Y264 VanDerWaalsContact C-N 3.27Å; L262-Y264 PolarHBondContact O-N 3.25Å; L262-L265 WeakPolarHBondContact O-CB 3.29Å; L262-L265 PolarHBondContact O-N 3.5Å; L262-L265 VanDerWaalsContact O-N 3.16Å; L262-I266 HydrophobicContact CD1-CD1 4.27Å; L262-I266 HydrophobicContact CG-CD1 4.06Å; L262-I266 WeakPolarHBondContact O-CG1 3.19Å; L262-I266 PolarHBondContact O-N 3.12Å
263	G	96.3	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.9	-25.2	178.6	0	0	0	0	0	113.2	Y51 W261 I266 A267	Y51-G263 VanDerWaalsContact OH-CA 3.24Å; Y51-G263 WeakPolarHBondContact OH-CA 3.49Å; Y51-G263 PolarHBondContact OH-N 3.04Å; W261-G263 PolarHBondContact O-N 3.47Å; G263-I266 PolarHBondContact O-N 3.34Å; G263-A267 WeakPolarHBondContact O-CB 3.38Å; G263-A267 PolarHBondContact O-N 2.75Å
264	Y	97.8	Very high	95.4	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-38.4	170.3	-74.1	-64.4	0	0	0	111.7	Y51 M52 T55 T112 I115 W260 W261 L262 G268	Y51-Y264 AromaticContact CD1-CD1 3.79Å; Y51-Y264 HydrophobicContact CD1-CD1 3.79Å; Y51-Y264 HydrophobicContact CD1-CD2 4.36Å; Y51-Y264 AromaticContact CD1-CE1 3.74Å; Y51-Y264 HydrophobicContact CD1-CE1 3.74Å; Y51-Y264 HydrophobicContact CD1-CE2 4.29Å; Y51-Y264 HydrophobicContact CD1-CG 4.1Å; Y51-Y264 AromaticContact CD1-CZ 3.99Å; Y51-Y264 AromaticContact CE1-CD1 3.89Å; Y51-Y264 HydrophobicContact CE1-CD1 3.89Å; Y51-Y264 AromaticContact CE1-CD2 3.66Å; Y51-Y264 HydrophobicContact CE1-CD2 3.66Å; Y51-Y264 HydrophobicContact CE1-CE1 4.01Å; Y51-Y264 AromaticContact CE1-CE2 3.75Å; Y51-Y264 HydrophobicContact CE1-CE2 3.75Å; Y51-Y264 AromaticContact CE1-CG 3.7Å; Y51-Y264 HydrophobicContact CE1-CG 3.7Å; Y51-Y264 AromaticContact CE1-CZ 3.92Å; Y51-Y264 VanDerWaalsContact CE1-N 3.27Å; M52-Y264 WeakPolarHBondContact CA-OH 3.36Å; M52-Y264 HydrophobicContact CE-CE1 4.37Å; M52-Y264 PolarHBondContact SD-OH 3.37Å; T55-Y264 HydrophobicContact CG2-CE2 4.35Å; T55-Y264 PolarHBondContact OG1-OH 2.85Å; T112-Y264 HydrophobicContact CG2-CD1 3.9Å; T112-Y264 VanDerWaalsContact CG2-O 3.26Å; T112-Y264 WeakPolarHBondContact CG2-O 3.26Å; I115-Y264 HydrophobicContact CB-CD1 4.19Å; I115-Y264 HydrophobicContact CB-CE1 4.34Å; I115-Y264 HydrophobicContact CB-CG 4.31Å; I115-Y264 HydrophobicContact CD1-CD1 4.36Å; I115-Y264 HydrophobicContact CD1-CE1 4.08Å; I115-Y264 HydrophobicContact CG2-CD1 3.81Å; I115-Y264 HydrophobicContact CG2-CD2 3.62Å; I115-Y264 HydrophobicContact CG2-CE1 3.64Å; I115-Y264 HydrophobicContact CG2-CE2 3.49Å; I115-Y264 VanDerWaalsContact CG2-CE2 3.49Å; I115-Y264 HydrophobicContact CG2-CG 3.81Å; I115-Y264 VanDerWaalsContact CG2-CZ 3.49Å; W260-Y264 AromaticContact CE3-CD2 3.88Å; W260-Y264 HydrophobicContact CE3-CD2 3.88Å; W260-Y264 AromaticContact CE3-CE2 3.88Å; W260-Y264 HydrophobicContact CE3-CE2 3.88Å; W260-Y264 HydrophobicContact CZ3-CD2 4.29Å; W260-Y264 HydrophobicContact CZ3-CE2 4.45Å; W260-Y264 WeakPolarHBondContact O-CD2 3.41Å; W261-Y264 WeakPolarHBondContact O-CB 3.48Å; W261-Y264 PolarHBondContact O-N 2.6Å; L262-Y264 VanDerWaalsContact C-N 3.27Å; L262-Y264 PolarHBondContact O-N 3.25Å; Y264-G268 WeakPolarHBondContact O-CA 3.28Å; Y264-G268 PolarHBondContact O-N 3.34Å
265	L	97.9	Very high	95.9	Very high	52 Å²	52	22.7 Å²	22.7	27%	0.272	12%	0.118	S	C	.	.	H	α-helix	trans	-61.9	-46.8	172.5	-63.5	-176.4	0	0	0	111.3	F113 A116 F120 W261 L262 G268 V269	F113-L265 HydrophobicContact CD1-CD2 3.85Å; F113-L265 HydrophobicContact CE1-CD2 4.26Å; A116-L265 HydrophobicContact CB-CD2 3.83Å; A116-L265 HydrophobicContact CB-CG 4.26Å; F120-L265 HydrophobicContact CE2-CD1 4.43Å; F120-L265 HydrophobicContact CZ-CD1 4.05Å; W261-L265 HydrophobicContact CE3-CD1 3.7Å; W261-L265 HydrophobicContact CE3-CG 4.3Å; W261-L265 HydrophobicContact CZ3-CD1 3.65Å; W261-L265 PolarHBondContact O-N 2.83Å; W261-L265 VanDerWaalsContact O-N 3.12Å; L262-L265 WeakPolarHBondContact O-CB 3.29Å; L262-L265 PolarHBondContact O-N 3.5Å; L262-L265 VanDerWaalsContact O-N 3.16Å; L265-G268 PolarHBondContact O-N 3.13Å; L265-V269 WeakPolarHBondContact O-CG2 3.17Å; L265-V269 PolarHBondContact O-N 3.32Å
266	I	98.1	Very high	96.1	Very high	66 Å²	66	26.6 Å²	26.6	34%	0.338	14%	0.138	S	C	.	.	H	α-helix	trans	-61.7	-49.4	178.9	-66.2	166.1	0	0	0	110.4	L228 L262 G263 G268 V269 I270	L228-I266 HydrophobicContact CD1-CD1 3.9Å; L228-I266 HydrophobicContact CD1-CG2 4.42Å; L228-I266 HydrophobicContact CD2-CB 4.26Å; L228-I266 HydrophobicContact CD2-CG2 4.07Å; L262-I266 HydrophobicContact CD1-CD1 4.27Å; L262-I266 HydrophobicContact CG-CD1 4.06Å; L262-I266 WeakPolarHBondContact O-CG1 3.19Å; L262-I266 PolarHBondContact O-N 3.12Å; G263-I266 PolarHBondContact O-N 3.34Å; I266-G268 VanDerWaalsContact C-N 3.32Å; I266-G268 PolarHBondContact O-N 3.49Å; I266-V269 PolarHBondContact O-N 3.42Å; I266-I270 HydrophobicContact CG2-CD1 3.86Å; I266-I270 VanDerWaalsContact O-CG1 3.31Å; I266-I270 WeakPolarHBondContact O-CG1 3.46Å; I266-I270 PolarHBondContact O-N 2.94Å
267	A	97.5	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-37.6	177.8	0	0	0	0	0	112.3	L47 T112 G263 T271	L47-A267 HydrophobicContact CD2-CB 3.75Å; T112-A267 HydrophobicContact CG2-CB 4.32Å; G263-A267 WeakPolarHBondContact O-CB 3.38Å; G263-A267 PolarHBondContact O-N 2.75Å; A267-T271 WeakPolarHBondContact O-CB 3.3Å; A267-T271 PolarHBondContact O-N 3.39Å; A267-T271 PolarHBondContact O-OG1 3.28Å
268	G	97.7	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-44.9	175.4	0	0	0	0	0	112.1	S109 F113 Y264 L265 I266 T271 L272	S109-G268 PolarHBondContact OG-O 3.43Å; F113-G268 VanDerWaalsContact CZ-C 3.48Å; Y264-G268 WeakPolarHBondContact O-CA 3.28Å; Y264-G268 PolarHBondContact O-N 3.34Å; L265-G268 PolarHBondContact O-N 3.13Å; I266-G268 VanDerWaalsContact C-N 3.32Å; I266-G268 PolarHBondContact O-N 3.49Å; G268-T271 PolarHBondContact O-N 3.28Å; G268-L272 WeakPolarHBondContact O-CB 3.4Å; G268-L272 PolarHBondContact O-N 2.98Å
269	V	98.3	Very high	95.9	Very high	71 Å²	71	34.4 Å²	34.4	43%	0.43	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-46.2	175.5	172	0	0	0	0	111.4	F113 L265 I266 T271 L272 L273	F113-V269 HydrophobicContact CE1-CG2 4.18Å; F113-V269 HydrophobicContact CZ-CG2 3.98Å; L265-V269 WeakPolarHBondContact O-CG2 3.17Å; L265-V269 PolarHBondContact O-N 3.32Å; I266-V269 PolarHBondContact O-N 3.42Å; V269-T271 PolarHBondContact O-N 3.04Å; V269-L272 WeakPolarHBondContact O-CB 3.43Å; V269-L272 PolarHBondContact O-N 2.81Å; V269-L272 VanDerWaalsContact O-N 3.12Å; V269-L273 HydrophobicContact CG1-CD1 4.18Å; V269-L273 HydrophobicContact CG1-CG 4.4Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 3.06Å
270	I	97.8	Very high	95.7	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.195	21%	0.209	C	C	.	.	H	α-helix	trans	-57.2	-43.1	175.9	-68.3	167.7	0	0	0	110.3	F40 F43 A44 L47 I266 L273 S274	F40-I270 HydrophobicContact CE2-CG2 4.23Å; F40-I270 HydrophobicContact CZ-CG2 4.08Å; F43-I270 HydrophobicContact CE1-CG2 4.4Å; A44-I270 HydrophobicContact CB-CG2 3.92Å; L47-I270 HydrophobicContact CD1-CD1 4.2Å; I266-I270 HydrophobicContact CG2-CD1 3.86Å; I266-I270 VanDerWaalsContact O-CG1 3.31Å; I266-I270 WeakPolarHBondContact O-CG1 3.46Å; I266-I270 PolarHBondContact O-N 2.94Å; I270-L273 PolarHBondContact O-N 3.02Å; I270-S274 PolarHBondContact O-N 3.47Å; I270-S274 VanDerWaalsContact O-N 3.1Å
271	T	96.4	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-40.4	177.2	-57.8	0	0	0	0	112	C105 M108 A267 G268 V269 S274 A275	C105-T271 WeakPolarHBondContact O-CG2 3.16Å; M108-T271 HydrophobicContact CB-CG2 4.12Å; M108-T271 HydrophobicContact CE-CG2 3.23Å; M108-T271 HydrophobicContact CG-CG2 4.15Å; A267-T271 WeakPolarHBondContact O-CB 3.3Å; A267-T271 PolarHBondContact O-N 3.39Å; A267-T271 PolarHBondContact O-OG1 3.28Å; G268-T271 PolarHBondContact O-N 3.28Å; V269-T271 PolarHBondContact O-N 3.04Å; T271-S274 WeakPolarHBondContact O-CB 3.2Å; T271-S274 PolarHBondContact O-N 3.27Å; T271-S274 PolarHBondContact O-OG 3.22Å; T271-A275 PolarHBondContact O-N 2.94Å
272	L	97.1	Very high	94.5	Very high	69 Å²	69	43.7 Å²	43.7	36%	0.361	22%	0.22	S	C	.	.	H	α-helix	trans	-60.7	-46.5	175.7	-177	57.8	0	0	0	111.4	L106 S109 G268 V269 S274 A275	L106-L272 HydrophobicContact CD2-CD1 3.39Å; S109-L272 WeakPolarHBondContact OG-CB 3.26Å; G268-L272 WeakPolarHBondContact O-CB 3.4Å; G268-L272 PolarHBondContact O-N 2.98Å; V269-L272 WeakPolarHBondContact O-CB 3.43Å; V269-L272 PolarHBondContact O-N 2.81Å; V269-L272 VanDerWaalsContact O-N 3.12Å; L272-S274 PolarHBondContact O-N 3.47Å; L272-A275 VanDerWaalsContact O-CB 3.31Å; L272-A275 WeakPolarHBondContact O-CB 3.31Å; L272-A275 PolarHBondContact O-N 3.28Å
273	L	97.1	Very high	93.6	Very high	88 Å²	88	48.8 Å²	48.8	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-33.1	176.4	-67.6	175	0	0	0	111.9	F40 V269 I270 A275 I276 P277	F40-L273 HydrophobicContact CE1-CB 4.17Å; F40-L273 HydrophobicContact CZ-CB 4.5Å; V269-L273 HydrophobicContact CG1-CD1 4.18Å; V269-L273 HydrophobicContact CG1-CG 4.4Å; V269-L273 WeakPolarHBondContact O-CG 3.49Å; V269-L273 PolarHBondContact O-N 3.06Å; I270-L273 PolarHBondContact O-N 3.02Å; L273-A275 PolarHBondContact O-N 2.94Å; L273-I276 HydrophobicContact CD2-CD1 3.98Å; L273-I276 PolarHBondContact O-N 3.18Å; L273-P277 WeakPolarHBondContact O-CD 3.49Å
274	S	95.6	Very high	92.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-21.6	177.1	81.3	0	0	0	0	113.8	I270 T271 L272 F278	I270-S274 PolarHBondContact O-N 3.47Å; I270-S274 VanDerWaalsContact O-N 3.1Å; T271-S274 WeakPolarHBondContact O-CB 3.2Å; T271-S274 PolarHBondContact O-N 3.27Å; T271-S274 PolarHBondContact O-OG 3.22Å; L272-S274 PolarHBondContact O-N 3.47Å; S274-F278 VanDerWaalsContact O-CD2 3.26Å; S274-F278 WeakPolarHBondContact O-CD2 3.48Å; S274-F278 VanDerWaalsContact O-CE2 3.26Å; S274-F278 WeakPolarHBondContact O-CE2 3.42Å
275	A	95.8	Very high	90.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-76.2	-31.2	178.7	0	0	0	0	0	113	S102 C105 L106 T271 L272 L273 F278	S102-A275 PolarHBondContact OG-O 3.04Å; C105-A275 HydrophobicContact CB-CB 3.64Å; L106-A275 HydrophobicContact CD2-CB 3.8Å; L106-A275 HydrophobicContact CG-CB 3.97Å; T271-A275 PolarHBondContact O-N 2.94Å; L272-A275 VanDerWaalsContact O-CB 3.31Å; L272-A275 WeakPolarHBondContact O-CB 3.31Å; L272-A275 PolarHBondContact O-N 3.28Å; L273-A275 PolarHBondContact O-N 2.94Å; A275-F278 PolarHBondContact O-N 3.48Å
276	I	94.6	Very high	88.6	Confident	83 Å²	83	54.6 Å²	54.6	43%	0.426	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-50	-168.7	-61.9	172.1	0	0	0	112.8	L273 F278 W279 F280	L273-I276 HydrophobicContact CD2-CD1 3.98Å; L273-I276 PolarHBondContact O-N 3.18Å; I276-F278 PolarHBondContact O-N 2.97Å; I276-F278 VanDerWaalsContact O-N 3.15Å; I276-W279 PolarHBondContact O-N 3.28Å; I276-F280 HydrophobicContact CG2-CE2 3.83Å; I276-F280 WeakPolarHBondContact O-CD2 3.43Å
277	P	92.6	Very high	86	Confident	40 Å²	40	57.1 Å²	57.1	26%	0.26	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-33.4	-174.9	-27.1	37.2	0	0	0	113.8	S37 L273 W279 F280	S37-P277 WeakPolarHBondContact OG-CB 3.34Å; L273-P277 WeakPolarHBondContact O-CD 3.49Å; P277-W279 VanDerWaalsContact C-N 3.26Å; P277-W279 PolarHBondContact O-N 3.45Å; P277-F280 PolarHBondContact O-N 2.95Å
278	F	91.9	Very high	83.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.1	-21.8	-177.2	-68.1	-72.5	0	0	0	114.5	F34 S37 L38 A41 P98 I101 S274 A275 I276 F280 L281	F34-F278 HydrophobicContact CD2-CD1 4.32Å; F34-F278 HydrophobicContact CD2-CE1 4.17Å; F34-F278 HydrophobicContact CE2-CD1 4.1Å; F34-F278 AromaticContact CE2-CE1 3.86Å; F34-F278 HydrophobicContact CE2-CE1 3.86Å; F34-F278 HydrophobicContact CZ-CE1 4.4Å; S37-F278 VanDerWaalsContact C-CZ 3.49Å; L38-F278 HydrophobicContact CB-CZ 4.41Å; L38-F278 HydrophobicContact CD1-CZ 4.3Å; A41-F278 HydrophobicContact CB-CE2 4.03Å; A41-F278 HydrophobicContact CB-CZ 4.22Å; P98-F278 HydrophobicContact CB-CB 4.47Å; P98-F278 HydrophobicContact CB-CD1 4.34Å; P98-F278 WeakPolarHBondContact O-CB 3.3Å; I101-F278 HydrophobicContact CG2-CD1 4.23Å; I101-F278 HydrophobicContact CG2-CD2 4.19Å; I101-F278 HydrophobicContact CG2-CE1 3.93Å; I101-F278 HydrophobicContact CG2-CE2 3.89Å; I101-F278 HydrophobicContact CG2-CG 4.35Å; I101-F278 HydrophobicContact CG2-CZ 3.73Å; S274-F278 VanDerWaalsContact O-CD2 3.26Å; S274-F278 WeakPolarHBondContact O-CD2 3.48Å; S274-F278 VanDerWaalsContact O-CE2 3.26Å; S274-F278 WeakPolarHBondContact O-CE2 3.42Å; A275-F278 PolarHBondContact O-N 3.48Å; I276-F278 PolarHBondContact O-N 2.97Å; I276-F278 VanDerWaalsContact O-N 3.15Å; F278-F280 VanDerWaalsContact C-N 3.26Å; F278-F280 PolarHBondContact O-N 3.02Å; F278-L281 HydrophobicContact CD1-CD1 4.03Å
279	W	90.5	Very high	80.2	Confident	131 Å²	131	64.3 Å²	64.3	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-68.9	-27.7	176.1	-78.1	92.1	0	0	0	112.8	S102 L106 I276 P277	S102-W279 PolarHBondContact OG-NE1 3.35Å; L106-W279 HydrophobicContact CD1-CZ2 4.15Å; I276-W279 PolarHBondContact O-N 3.28Å; P277-W279 VanDerWaalsContact C-N 3.26Å; P277-W279 PolarHBondContact O-N 3.45Å
280	F	89.1	Confident	76.9	Confident	170 Å²	170	65.7 Å²	65.7	75%	0.746	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.1	-177.2	-58.2	-76.3	0	0	0	113.1	I276 P277 F278	I276-F280 HydrophobicContact CG2-CE2 3.83Å; I276-F280 WeakPolarHBondContact O-CD2 3.43Å; P277-F280 PolarHBondContact O-N 2.95Å; F278-F280 VanDerWaalsContact C-N 3.26Å; F278-F280 PolarHBondContact O-N 3.02Å
281	L	87	Confident	73.7	Confident	14 Å²	14	75.7 Å²	75.7	7%	0.073	41%	0.41	C	S	.	.	S	Bend	trans	-84.8	139.8	-178	-67.1	170.9	0	0	0	111.3	M33 F34 H96 P98 F278	M33-L281 HydrophobicContact CB-CD2 4.12Å; F34-L281 HydrophobicContact CB-CD1 3.97Å; F34-L281 HydrophobicContact CD2-CD1 3.66Å; F34-L281 HydrophobicContact CG-CD1 4.27Å; H96-L281 PolarHBondContact CE1-O 3.28Å; P98-L281 HydrophobicContact CB-CB 4.06Å; P98-L281 HydrophobicContact CG-CB 4.27Å; F278-L281 HydrophobicContact CD1-CD1 4.03Å
282	P	80.6	Confident	70.6	Confident	45 Å²	45	81 Å²	81	29%	0.292	44%	0.442	S	S	.	.			trans	-71.4	155.7	-178.1	29.7	-35.2	0	0	0	112.3	Y197 S284 L285	Y197-P282 PolarHBondContact OH-O 2.8Å; P282-S284 VanDerWaalsContact C-N 3.25Å; P282-S284 PolarHBondContact O-N 3.41Å; P282-L285 HydrophobicContact CG-CD2 4.09Å
283	R	77.1	Confident	67.2	Low	155 Å²	155	89.2 Å²	89.2	59%	0.585	47%	0.468	S	S	*	.	S	Bend	trans	-57	-41.4	177.7	-173.6	176.6	-179.4	177.3	0.1	112	K94 H96	K94-R283 PolarHBondContact O-NH2 3.31Å; H96-R283 HydrophobicContact CB-CG 4.32Å; H96-R283 VanDerWaalsContact CD2-CB 3.5Å; H96-R283 WeakPolarHBondContact CD2-CB 3.38Å; H96-R283 PolarHBondContact CE1-N 3.24Å; H96-R283 WeakPolarHBondContact NE2-CA 3.48Å; H96-R283 PolarHBondContact NE2-N 2.83Å; H96-R283 VanDerWaalsContact NE2-N 3.17Å
284	S	69.8	Low	63.8	Low	74 Å²	74	93.8 Å²	93.8	52%	0.517	48%	0.484	S	S	.	.	S	Bend	trans	-143.3	138.7	178.8	51.8	0	0	0	0	108.2	P282	P282-S284 VanDerWaalsContact C-N 3.25Å; P282-S284 PolarHBondContact O-N 3.41Å
285	L	67.6	Low	60.6	Low	12 Å²	12	103.2 Å²	103.2	6%	0.063	53%	0.53	C	S	.	.			trans	-69.5	138.2	171.9	-68.3	165.6	0	0	0	109.1	L31 Y197 F201 P282 T287	L31-L285 HydrophobicContact CB-CD1 3.81Å; L31-L285 HydrophobicContact CD1-CD1 4.07Å; L31-L285 HydrophobicContact CG-CD1 4.48Å; Y197-L285 HydrophobicContact CE1-CD1 4.43Å; F201-L285 HydrophobicContact CB-CD1 3.64Å; F201-L285 HydrophobicContact CD1-CB 3.68Å; F201-L285 HydrophobicContact CD1-CD1 3.94Å; F201-L285 HydrophobicContact CD1-CG 4.11Å; F201-L285 HydrophobicContact CD2-CD1 4.22Å; F201-L285 HydrophobicContact CE1-CB 3.91Å; F201-L285 HydrophobicContact CE1-CG 4.46Å; F201-L285 VanDerWaalsContact CE1-N 3.3Å; F201-L285 HydrophobicContact CG-CB 4.29Å; F201-L285 HydrophobicContact CG-CD1 3.67Å; F201-L285 HydrophobicContact CG-CG 4.22Å; P282-L285 HydrophobicContact CG-CD2 4.09Å; L285-T287 PolarHBondContact O-N 2.99Å
286	P	49.7	Very low	57.1	Low	89 Å²	89	105.8 Å²	105.8	58%	0.578	56%	0.557	S	S	*	*			trans	-58.9	113.9	171.7	-16.7	28.3	0	0	0	108.2	A288	P286-A288 PolarHBondContact O-N 3.44Å; P286-A288 VanDerWaalsContact O-N 3.17Å
287	T	42.8	Very low	53.7	Low	120 Å²	120	108.9 Å²	108.9	74%	0.736	58%	0.58	S	S	*	*			trans	-58.5	120.9	174.9	-47.7	0	0	0	0	107.8	L285 G289	L285-T287 PolarHBondContact O-N 2.99Å; T287-G289 PolarHBondContact O-N 2.98Å
288	A	36.9	Very low	50.7	Low	91 Å²	91	115.7 Å²	115.7	75%	0.752	61%	0.609	S	S	*	*	S	Bend	trans	-60	107.1	169.8	0	0	0	0	0	107.9	P286	P286-A288 PolarHBondContact O-N 3.44Å; P286-A288 VanDerWaalsContact O-N 3.17Å
289	G	35.8	Very low	47.5	Very low	60 Å²	60	124.3 Å²	124.3	62%	0.619	65%	0.649	S	S	*	*			trans	71.7	91	173.9	0	0	0	0	0	114.5	T287 R291	T287-G289 PolarHBondContact O-N 2.98Å; G289-R291 PolarHBondContact O-N 3.49Å
290	S	29.2	Very low	44.4	Very low	99 Å²	99	127 Å²	127	69%	0.692	67%	0.667	S	S	*	*			trans	-48.4	105.8	142.7	54.5	0	0	0	0	108.3	V292	S290-V292 PolarHBondContact O-N 3.49Å
291	R	29.8	Very low	41.3	Very low	249 Å²	249	123 Å²	123	94%	0.94	67%	0.665	S	S	*	*			trans	-65.5	83	155.1	-77.7	-174.5	-176.9	176	2	106.5	G289 R293	G289-R291 PolarHBondContact O-N 3.49Å; R291-R293 PolarHBondContact O-N 3.44Å
292	V	31.6	Very low	38.5	Very low	110 Å²	110	127 Å²	127	67%	0.667	70%	0.695	S	S	*	*			trans	-58.5	94.4	156	175.8	0	0	0	0	104.9	S290 K294	S290-V292 PolarHBondContact O-N 3.49Å; V292-K294 PolarHBondContact O-N 3.24Å
293	R	25.9	Very low	35.8	Very low	242 Å²	242	134.3 Å²	134.3	91%	0.913	72%	0.722	S	S	*	*			trans	-65.1	98.2	161.3	-175.5	171.7	174.5	170.5	-2.9	104.8	R291 M295	R291-R293 PolarHBondContact O-N 3.44Å; R293-M295 PolarHBondContact O-N 3.18Å
294	K	25.6	Very low	33.6	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	73%	0.734	S	S	*	*			trans	-47.2	123.4	173.3	-76.5	-179.9	175.7	178	0	108.4	V292 G296	V292-K294 PolarHBondContact O-N 3.24Å; K294-G296 PolarHBondContact O-N 3.41Å
295	M	28.9	Very low	31.5	Very low	197 Å²	197	139.5 Å²	139.5	97%	0.97	75%	0.746	S	S	*	*			trans	-58	123.2	157.6	-171.8	73.9	132.7	0	0	107.1	R293	R293-M295 PolarHBondContact O-N 3.18Å
296	G	23.2	Very low	29.5	Very low	56 Å²	56	145.3 Å²	145.3	58%	0.577	78%	0.777	S	S	*	*			trans	-179.3	101.1	-179.5	0	0	0	0	0	111.5	K294	K294-G296 PolarHBondContact O-N 3.41Å
297	T	23	Very low	28.3	Very low	148 Å²	148	147 Å²	147	91%	0.908	79%	0.786	S	S	*	*			trans	71.6	103.3	161	11.7	0	0	0	0	118.6
298	Q	28.7	Very low	27.5	Very low	183 Å²	183	147.3 Å²	147.3	86%	0.855	79%	0.79	S	S	*	*			trans	-63.7	124.4	151.6	-163.4	175.6	7.6	0	0	107.9
299	E	25.3	Very low	26.8	Very low	180 Å²	180	151 Å²	151	84%	0.841	79%	0.791	S	S	*	*			trans	172.4	139.5	133.9	-95.7	175.6	178	0	0	112.9
300	E	24.5	Very low	26.3	Very low	187 Å²	187	153 Å²	153	87%	0.874	79%	0.794	S	S	*	*			trans	91.6	114.4	158.8	-68.6	-175.1	158.1	0	0	123.4
301	A	24.5	Very low	26	Very low	86 Å²	86	157.2 Å²	157.2	71%	0.711	80%	0.799	S	S	*	*			trans	70.9	92.7	141.2	0	0	0	0	0	118.3
302	S	27.9	Very low	25.8	Very low	100 Å²	100	156.3 Å²	156.3	70%	0.699	80%	0.797	S	S	*	*				56	104.6	90.4	74.1	0	0	0	0	113.8
303	F	24.7	Very low	25.4	Very low	198 Å²	198	159.8 Å²	159.8	87%	0.868	80%	0.804	S	S	*	*			trans	-178.6	127.6	131.2	-111.4	-85.3	0	0	0	110.8
304	I	29.6	Very low	25.5	Very low	161 Å²	161	159.5 Å²	159.5	83%	0.826	80%	0.804	S	S	*	*			trans	87.4	123.5	160.7	-46.4	-178	0	0	0	118.7
305	K	26.2	Very low	25.4	Very low	176 Å²	176	157.3 Å²	157.3	77%	0.765	80%	0.797	S	S	*	*			trans	-85.7	158.5	-177.2	-106.5	178	175.8	-177	0	112.8
306	D	25	Very low	25.7	Very low	134 Å²	134	152.7 Å²	152.7	72%	0.717	79%	0.79	S	S	*	*			trans	74.1	91.1	148	-56.7	-26	0	0	0	120.6
307	T	24.6	Very low	26	Very low	126 Å²	126	157 Å²	157	77%	0.773	80%	0.795	S	S	*	*				-166.8	127.3	126.6	6.4	0	0	0	0	109.9	H309	T307-H309 PolarHBondContact O-N 3.47Å; T307-H309 VanDerWaalsContact O-N 3.08Å
308	P	26.6	Very low	26.4	Very low	126 Å²	126	158.7 Å²	158.7	82%	0.818	79%	0.793	S	S	*	*			trans	-78.8	95.5	175.8	30	-29.1	0	0	0	109.6	P310	P308-P310 VanDerWaalsContact O-CD 3.28Å; P308-P310 WeakPolarHBondContact O-CD 3.26Å
309	H	22.7	Very low	26.8	Very low	168 Å²	168	159.4 Å²	159.4	78%	0.778	80%	0.796	S	S	*	*			trans	-76.8	113.1	156.4	-92.2	-69.4	0	0	0	108.3	T307 K311	T307-H309 PolarHBondContact O-N 3.47Å; T307-H309 VanDerWaalsContact O-N 3.08Å; H309-K311 PolarHBondContact O-N 2.93Å
310	P	25.3	Very low	27.2	Very low	103 Å²	103	153.6 Å²	153.6	67%	0.669	78%	0.775	S	S	*	*			trans	-72.1	98.5	169.9	28.3	-29.8	0	0	0	108.4	P308 Y312	P308-P310 VanDerWaalsContact O-CD 3.28Å; P308-P310 WeakPolarHBondContact O-CD 3.26Å; P310-Y312 PolarHBondContact O-N 3.43Å; P310-Y312 VanDerWaalsContact O-N 3.12Å
311	K	22.8	Very low	28	Very low	187 Å²	187	147.1 Å²	147.1	81%	0.813	75%	0.75	S	S	*	*			trans	-66.3	100.6	160	-77.3	177.8	177.5	170.9	0	107.2	H309 K313	H309-K311 PolarHBondContact O-N 2.93Å; K311-K313 PolarHBondContact O-N 3Å
312	Y	24.5	Very low	29.1	Very low	229 Å²	229	150.7 Å²	150.7	90%	0.898	75%	0.75	S	S	*	*			trans	-65.2	87.9	164.5	-90.2	-92.6	0	0	0	108.8	P310	P310-Y312 PolarHBondContact O-N 3.43Å; P310-Y312 VanDerWaalsContact O-N 3.12Å
313	K	22.9	Very low	30	Very low	183 Å²	183	150.3 Å²	150.3	80%	0.796	74%	0.743	S	S	*	*			trans	-96.6	126	155.1	-84.3	-174.1	173.4	-174	0	106.7	K311 Q315	K311-K313 PolarHBondContact O-N 3Å; K313-Q315 VanDerWaalsContact C-N 3.35Å; K313-Q315 PolarHBondContact O-N 3.26Å
314	Y	28.4	Very low	31.3	Very low	236 Å²	236	146 Å²	146	93%	0.925	73%	0.726	S	S	*	*			trans	-63.4	95.3	175.3	-149.8	-94.5	0	0	0	108.6
315	Q	23.7	Very low	32.2	Very low	140 Å²	140	141.1 Å²	141.1	65%	0.654	70%	0.7	S	S	*	*			trans	-79	121.6	163.8	-158.7	156.9	-45.2	0	0	105.6	K313 E317	K313-Q315 VanDerWaalsContact C-N 3.35Å; K313-Q315 PolarHBondContact O-N 3.26Å; Q315-E317 VanDerWaalsContact C-N 3.25Å; Q315-E317 HydrophobicContact CG-CG 4.27Å; Q315-E317 PolarHBondContact NE2-OE1 3.19Å; Q315-E317 PolarHBondContact O-N 2.98Å
316	A	36.3	Very low	33.6	Very low	100 Å²	100	134.4 Å²	134.4	83%	0.826	68%	0.678	S	S	*	*			trans	-66.1	93.5	167.1	0	0	0	0	0	107.1
317	E	29.6	Very low	35.1	Very low	146 Å²	146	135 Å²	135	68%	0.682	67%	0.674	S	S	*	*			trans	-109.1	153	174.7	-99.1	173.5	-167.9	0	0	111.6	Q315	Q315-E317 VanDerWaalsContact C-N 3.25Å; Q315-E317 HydrophobicContact CG-CG 4.27Å; Q315-E317 PolarHBondContact NE2-OE1 3.19Å; Q315-E317 PolarHBondContact O-N 2.98Å
318	E	30.8	Very low	36.6	Very low	183 Å²	183	134.2 Å²	134.2	86%	0.855	67%	0.665	S	S	*	*			trans	-63.8	167.9	-152.9	-73.1	162.2	129.5	0	0	115.3	S320	E318-S320 PolarHBondContact O-N 2.77Å
319	H	36.7	Very low	38.4	Very low	198 Å²	198	133.2 Å²	133.2	92%	0.917	65%	0.648	S	S	*	*			trans	-33	92.1	171.2	-93.8	-92.1	0	0	0	114.1
320	S	33.5	Very low	40.6	Very low	58 Å²	58	131 Å²	131	41%	0.406	64%	0.64	S	S	.	*			trans	-74	125.5	157	54.2	0	0	0	0	108.2	E318 M325	E318-S320 PolarHBondContact O-N 2.77Å; S320-M325 WeakPolarHBondContact O-CE 3.19Å
321	S	41.1	Very low	42.9	Very low	51 Å²	51	129.4 Å²	129.4	36%	0.357	63%	0.63	S	S	.	*			trans	-63.6	147.4	178.9	68.9	0	0	0	0	109.9	V323 E324 M325	S321-V323 PolarHBondContact O-N 3.23Å; S321-E324 PolarHBondContact N-OE2 3.35Å; S321-E324 PolarHBondContact O-N 3.01Å; S321-E324 PolarHBondContact OG-N 2.96Å; S321-E324 PolarHBondContact OG-OE2 3.44Å; S321-M325 PolarHBondContact O-N 3.19Å
322	F	47.3	Very low	45	Very low	161 Å²	161	123 Å²	123	71%	0.706	61%	0.607	S	S	*	*	H	α-helix	trans	-52.2	-28.2	173.9	179.1	-100.1	0	0	0	111.9	A326	F322-A326 WeakPolarHBondContact O-CB 3.46Å; F322-A326 PolarHBondContact O-N 3.08Å
323	V	47.7	Very low	47.2	Very low	92 Å²	92	113.8 Å²	113.8	56%	0.558	57%	0.573	S	S	*	*	H	α-helix	trans	-71.3	-38.7	178.1	-178.2	0	0	0	0	112.3	S321 K327	S321-V323 PolarHBondContact O-N 3.23Å; V323-K327 WeakPolarHBondContact O-CB 3.36Å; V323-K327 VanDerWaalsContact O-CG 3.31Å; V323-K327 WeakPolarHBondContact O-CG 3.29Å; V323-K327 PolarHBondContact O-N 3.42Å
324	E	51.6	Low	49.7	Very low	108 Å²	108	114.7 Å²	114.7	51%	0.505	57%	0.571	S	S	.	*	H	α-helix	trans	-71.9	-42.3	175.4	-82.3	156.8	147.8	0	0	112.2	S321 A326 K327 D328	S321-E324 PolarHBondContact N-OE2 3.35Å; S321-E324 PolarHBondContact O-N 3.01Å; S321-E324 PolarHBondContact OG-N 2.96Å; S321-E324 PolarHBondContact OG-OE2 3.44Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.21Å; E324-K327 WeakPolarHBondContact O-CB 3.42Å; E324-K327 PolarHBondContact O-N 2.89Å; E324-D328 PolarHBondContact O-N 2.64Å
325	M	49.6	Very low	52.1	Low	58 Å²	58	107.7 Å²	107.7	29%	0.286	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-35.7	173	-77.8	177.6	-71.9	0	0	112.6	Y90 S320 S321 D328 F329	Y90-M325 HydrophobicContact CE1-CE 4.5Å; Y90-M325 HydrophobicContact CE2-CE 4Å; Y90-M325 HydrophobicContact CE2-SD 3.48Å; Y90-M325 WeakPolarHBondContact CE2-SD 3.41Å; Y90-M325 WeakPolarHBondContact OH-CE 3.34Å; Y90-M325 PolarHBondContact OH-SD 2.95Å; S320-M325 WeakPolarHBondContact O-CE 3.19Å; S321-M325 PolarHBondContact O-N 3.19Å; M325-D328 PolarHBondContact O-N 3.45Å; M325-F329 WeakPolarHBondContact O-CB 3.45Å; M325-F329 PolarHBondContact O-N 3.19Å
326	A	55.5	Low	54.6	Low	36 Å²	36	101.2 Å²	101.2	30%	0.298	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-35.2	174	0	0	0	0	0	112.3	F322 E324 D328 F329 I330	F322-A326 WeakPolarHBondContact O-CB 3.46Å; F322-A326 PolarHBondContact O-N 3.08Å; E324-A326 VanDerWaalsContact C-N 3.33Å; E324-A326 PolarHBondContact O-N 3.21Å; A326-D328 VanDerWaalsContact C-N 3.35Å; A326-F329 PolarHBondContact O-N 3.28Å; A326-I330 PolarHBondContact O-N 3.43Å
327	K	55.6	Low	56.7	Low	145 Å²	145	100 Å²	100	63%	0.63	50%	0.502	S	S	*	.	H	α-helix	trans	-64.9	-34.9	174.9	-86.8	179.8	176.1	-177.9	0	112.7	V323 E324 P331	V323-K327 WeakPolarHBondContact O-CB 3.36Å; V323-K327 VanDerWaalsContact O-CG 3.31Å; V323-K327 WeakPolarHBondContact O-CG 3.29Å; V323-K327 PolarHBondContact O-N 3.42Å; E324-K327 WeakPolarHBondContact O-CB 3.42Å; E324-K327 PolarHBondContact O-N 2.89Å; K327-P331 WeakPolarHBondContact O-CD 3.26Å; K327-P331 VanDerWaalsContact O-CG 3.23Å; K327-P331 WeakPolarHBondContact O-CG 3.19Å
328	D	57.2	Low	59	Low	111 Å²	111	95.7 Å²	95.7	59%	0.594	50%	0.497	S	S	*	.	H	α-helix	trans	-85.5	-23.3	175.3	-68.4	-19.7	0	0	0	113	E324 M325 A326 T332	E324-D328 PolarHBondContact O-N 2.64Å; M325-D328 PolarHBondContact O-N 3.45Å; A326-D328 VanDerWaalsContact C-N 3.35Å; D328-T332 WeakPolarHBondContact O-CB 3.36Å; D328-T332 PolarHBondContact O-N 3.25Å; D328-T332 PolarHBondContact O-OG1 3.25Å
329	F	63.1	Low	61.5	Low	105 Å²	105	90 Å²	90	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-43.4	178.8	-178.2	-101.4	0	0	0	112.9	M325 A326 T332 L333 L570	M325-F329 WeakPolarHBondContact O-CB 3.45Å; M325-F329 PolarHBondContact O-N 3.19Å; A326-F329 PolarHBondContact O-N 3.28Å; F329-T332 PolarHBondContact O-N 3.34Å; F329-L333 HydrophobicContact CE1-CD2 3.97Å; F329-L333 HydrophobicContact CZ-CD2 4.41Å; F329-L333 WeakPolarHBondContact O-CB 3.47Å; F329-L333 PolarHBondContact O-N 2.94Å; F329-L570 HydrophobicContact CD2-CD1 4.28Å; F329-L570 HydrophobicContact CE2-CD1 3.6Å; F329-L570 HydrophobicContact CZ-CD1 4.43Å
330	I	70.1	Confident	63.7	Low	120 Å²	120	83.9 Å²	83.9	62%	0.615	45%	0.449	S	S	*	.	H	α-helix	trans	-63.4	-48.7	-178.4	-65.6	171.8	0	0	0	112	A326 L333 R334	A326-I330 PolarHBondContact O-N 3.43Å; I330-L333 PolarHBondContact O-N 3.14Å; I330-R334 WeakPolarHBondContact O-CB 3.43Å; I330-R334 PolarHBondContact O-N 2.92Å
331	P	73.4	Confident	66.1	Low	70 Å²	70	81.6 Å²	81.6	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-59	-45.7	173.9	-23.5	33.1	0	0	0	112.3	K327 L333 R334 T335	K327-P331 WeakPolarHBondContact O-CD 3.26Å; K327-P331 VanDerWaalsContact O-CG 3.23Å; K327-P331 WeakPolarHBondContact O-CG 3.19Å; P331-L333 PolarHBondContact O-N 3.44Å; P331-R334 WeakPolarHBondContact O-CB 3.37Å; P331-R334 PolarHBondContact O-N 3.33Å; P331-T335 PolarHBondContact O-N 3.47Å; P331-T335 PolarHBondContact O-OG1 3.39Å
332	T	67.5	Low	68.2	Low	53 Å²	53	79.2 Å²	79.2	33%	0.325	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-38.8	-178.5	-50.8	0	0	0	0	112.1	D328 F329 T335 L336 L567 L570	D328-T332 WeakPolarHBondContact O-CB 3.36Å; D328-T332 PolarHBondContact O-N 3.25Å; D328-T332 PolarHBondContact O-OG1 3.25Å; F329-T332 PolarHBondContact O-N 3.34Å; T332-T335 PolarHBondContact O-N 3Å; T332-L336 PolarHBondContact O-N 3.49Å; T332-L567 HydrophobicContact CG2-CD2 3.57Å; T332-L570 HydrophobicContact CG2-CD2 3.61Å
333	L	69.8	Low	70.2	Confident	36 Å²	36	74 Å²	74	19%	0.188	40%	0.396	C	S	.	.	H	α-helix	trans	-64.8	-40.9	172.8	-178.3	63.5	0	0	0	111.2	F329 I330 P331 T335 L336 L337 F574	F329-L333 HydrophobicContact CE1-CD2 3.97Å; F329-L333 HydrophobicContact CZ-CD2 4.41Å; F329-L333 WeakPolarHBondContact O-CB 3.47Å; F329-L333 PolarHBondContact O-N 2.94Å; I330-L333 PolarHBondContact O-N 3.14Å; P331-L333 PolarHBondContact O-N 3.44Å; L333-T335 VanDerWaalsContact C-N 3.34Å; L333-L336 PolarHBondContact O-N 3.42Å; L333-L337 HydrophobicContact CD1-CD1 4.09Å; L333-L337 HydrophobicContact CD1-CG 4.21Å; L333-L337 HydrophobicContact CG-CD1 3.99Å; L333-L337 HydrophobicContact CG-CG 4.46Å; L333-L337 WeakPolarHBondContact O-CB 3.49Å; L333-L337 WeakPolarHBondContact O-CG 3.3Å; L333-L337 PolarHBondContact O-N 2.85Å; L333-F574 HydrophobicContact CD1-CD2 3.94Å; L333-F574 HydrophobicContact CD1-CE2 4.11Å
334	R	76.4	Confident	72.2	Confident	201 Å²	201	71.1 Å²	71.1	76%	0.758	38%	0.378	S	S	*	.	H	α-helix	trans	-63.8	-38.9	175.1	-168.7	176.1	-177.8	168.9	-0.1	111.5	I330 P331 G338	I330-R334 WeakPolarHBondContact O-CB 3.43Å; I330-R334 PolarHBondContact O-N 2.92Å; P331-R334 WeakPolarHBondContact O-CB 3.37Å; P331-R334 PolarHBondContact O-N 3.33Å; R334-G338 WeakPolarHBondContact O-CA 3.33Å; R334-G338 PolarHBondContact O-N 3.49Å
335	T	77.3	Confident	74	Confident	90 Å²	90	67.3 Å²	67.3	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-65	-41.3	173.4	-55.7	0	0	0	0	111.9	P331 T332 L333 G338 H339	P331-T335 PolarHBondContact O-N 3.47Å; P331-T335 PolarHBondContact O-OG1 3.39Å; T332-T335 PolarHBondContact O-N 3Å; L333-T335 VanDerWaalsContact C-N 3.34Å; T335-G338 PolarHBondContact O-N 3.39Å; T335-H339 PolarHBondContact O-N 3.01Å
336	L	77.1	Confident	75.9	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-47.3	177.7	177.7	65.5	0	0	0	112.1	T332 L333 G338 H339 Y342 L570 A571 F574	T332-L336 PolarHBondContact O-N 3.49Å; L333-L336 PolarHBondContact O-N 3.42Å; L336-G338 PolarHBondContact O-N 2.78Å; L336-H339 WeakPolarHBondContact O-CB 3.37Å; L336-H339 PolarHBondContact O-N 2.75Å; L336-H339 VanDerWaalsContact O-N 3.1Å; L336-Y342 HydrophobicContact CD1-CD1 3.77Å; L336-Y342 HydrophobicContact CD1-CE1 3.86Å; L336-Y342 HydrophobicContact CD1-CG 4.12Å; L336-Y342 HydrophobicContact CD2-CE1 3.9Å; L336-Y342 HydrophobicContact CG-CD1 3.89Å; L336-Y342 HydrophobicContact CG-CE1 3.69Å; L336-L570 HydrophobicContact CD2-CD2 4.29Å; L336-L570 HydrophobicContact CD2-CG 4.1Å; L336-A571 HydrophobicContact CD1-CB 3.76Å; L336-A571 HydrophobicContact CD2-CB 3.98Å; L336-F574 HydrophobicContact CD2-CB 4.45Å
337	L	79.8	Confident	77.7	Confident	74 Å²	74	66.3 Å²	66.3	39%	0.387	35%	0.354	S	S	.	.	H	α-helix	trans	-70.5	-18.1	175.7	-65.9	176.2	0	0	0	112.4	L333 H339 V343 F574	L333-L337 HydrophobicContact CD1-CD1 4.09Å; L333-L337 HydrophobicContact CD1-CG 4.21Å; L333-L337 HydrophobicContact CG-CD1 3.99Å; L333-L337 HydrophobicContact CG-CG 4.46Å; L333-L337 WeakPolarHBondContact O-CB 3.49Å; L333-L337 WeakPolarHBondContact O-CG 3.3Å; L333-L337 PolarHBondContact O-N 2.85Å; L337-H339 VanDerWaalsContact C-N 3.26Å; L337-V343 HydrophobicContact CD2-CG2 4.42Å; L337-V343 WeakPolarHBondContact O-CG2 3.05Å; L337-F574 HydrophobicContact CD2-CD1 4.44Å; L337-F574 HydrophobicContact CD2-CE1 3.72Å; L337-F574 HydrophobicContact CD2-CZ 3.93Å
338	G	78.8	Confident	79.4	Confident	56 Å²	56	60 Å²	60	58%	0.577	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.8	169.6	0	0	0	0	0	113.8	R334 T335 L336 P340	R334-G338 WeakPolarHBondContact O-CA 3.33Å; R334-G338 PolarHBondContact O-N 3.49Å; T335-G338 PolarHBondContact O-N 3.39Å; L336-G338 PolarHBondContact O-N 2.78Å; G338-P340 WeakPolarHBondContact O-CD 3.48Å
339	H	82.8	Confident	81	Confident	63 Å²	63	55.6 Å²	55.6	29%	0.292	30%	0.304	S	S	.	.			trans	-84.2	103.8	178.7	-163.5	-82.2	0	0	0	110.9	T335 L336 L337 V341 Y342 V343	T335-H339 PolarHBondContact O-N 3.01Å; L336-H339 WeakPolarHBondContact O-CB 3.37Å; L336-H339 PolarHBondContact O-N 2.75Å; L336-H339 VanDerWaalsContact O-N 3.1Å; L337-H339 VanDerWaalsContact C-N 3.26Å; H339-V341 VanDerWaalsContact C-N 3.32Å; H339-V341 PolarHBondContact O-N 3Å; H339-Y342 PolarHBondContact O-N 2.9Å; H339-V343 PolarHBondContact O-N 3.06Å
340	P	83.4	Confident	82.6	Confident	71 Å²	71	51.3 Å²	51.3	46%	0.461	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-35.4	-166.7	24.7	-34.6	0	0	0	113.2	G338 Y342 I344 L646	G338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-Y342 VanDerWaalsContact C-N 3.31Å; P340-Y342 PolarHBondContact O-N 2.66Å; P340-I344 VanDerWaalsContact O-CG1 3.3Å; P340-I344 WeakPolarHBondContact O-CG1 3.36Å; P340-I344 PolarHBondContact O-N 2.83Å; P340-I344 VanDerWaalsContact O-N 3.08Å; P340-L646 HydrophobicContact CB-CD1 4.45Å
341	V	84.1	Confident	83.7	Confident	10 Å²	10	47.2 Å²	47.2	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-36.3	177.7	-179.7	0	0	0	0	111.6	H339 Y345 L646 L647	H339-V341 VanDerWaalsContact C-N 3.32Å; H339-V341 PolarHBondContact O-N 3Å; V341-Y345 VanDerWaalsContact O-CB 3.29Å; V341-Y345 WeakPolarHBondContact O-CB 3.3Å; V341-Y345 PolarHBondContact O-N 3.34Å; V341-L646 HydrophobicContact CG2-CB 4.19Å; V341-L647 HydrophobicContact CG1-CD1 4.37Å
342	Y	85.4	Confident	84.7	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-73.4	-43.6	-178.1	172.9	-104.1	0	0	0	111	L336 H339 P340 Y345 L346 L559 I563 A571 F574 H575	L336-Y342 HydrophobicContact CD1-CD1 3.77Å; L336-Y342 HydrophobicContact CD1-CE1 3.86Å; L336-Y342 HydrophobicContact CD1-CG 4.12Å; L336-Y342 HydrophobicContact CD2-CE1 3.9Å; L336-Y342 HydrophobicContact CG-CD1 3.89Å; L336-Y342 HydrophobicContact CG-CE1 3.69Å; H339-Y342 PolarHBondContact O-N 2.9Å; P340-Y342 VanDerWaalsContact C-N 3.31Å; P340-Y342 PolarHBondContact O-N 2.66Å; Y342-Y345 PolarHBondContact O-N 3.05Å; Y342-L346 WeakPolarHBondContact O-CB 3.4Å; Y342-L346 PolarHBondContact O-N 3.47Å; Y342-L559 HydrophobicContact CD2-CD1 4.17Å; Y342-L559 HydrophobicContact CE2-CD1 3.88Å; Y342-I563 HydrophobicContact CD2-CD1 3.91Å; Y342-I563 HydrophobicContact CD2-CG1 4.17Å; Y342-I563 HydrophobicContact CE2-CD1 3.97Å; Y342-A571 HydrophobicContact CE2-CB 3.88Å; Y342-A571 PolarHBondContact OH-O 3.41Å; Y342-F574 HydrophobicContact CE1-CD1 4.27Å; Y342-H575 PolarHBondContact OH-N 3.25Å
343	V	88.9	Confident	85.9	Confident	50 Å²	50	46.5 Å²	46.5	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-45.3	176.8	176.6	0	0	0	0	111.1	L337 H339 Y345 L346 C347	L337-V343 HydrophobicContact CD2-CG2 4.42Å; L337-V343 WeakPolarHBondContact O-CG2 3.05Å; H339-V343 PolarHBondContact O-N 3.06Å; V343-Y345 PolarHBondContact O-N 3.18Å; V343-L346 PolarHBondContact O-N 2.97Å; V343-C347 PolarHBondContact O-N 3.06Å; V343-C347 PolarHBondContact O-SG 3.4Å; V343-C347 VanDerWaalsContact O-SG 3.35Å
344	I	89.8	Confident	87.1	Confident	33 Å²	33	45.4 Å²	45.4	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-46	176.6	-68.5	168.4	0	0	0	110.8	P340 L346 C347 V348 I639 L646	P340-I344 VanDerWaalsContact O-CG1 3.3Å; P340-I344 WeakPolarHBondContact O-CG1 3.36Å; P340-I344 PolarHBondContact O-N 2.83Å; P340-I344 VanDerWaalsContact O-N 3.08Å; I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 3.3Å; I344-C347 PolarHBondContact O-N 3.18Å; I344-V348 HydrophobicContact CG2-CG2 4.49Å; I344-V348 VanDerWaalsContact O-CG2 3.32Å; I344-V348 WeakPolarHBondContact O-CG2 3.1Å; I344-V348 PolarHBondContact O-N 3.49Å; I344-I639 HydrophobicContact CG2-CG2 4.07Å; I344-L646 HydrophobicContact CD1-CD1 3.41Å; I344-L646 VanDerWaalsContact CD1-CD1 3.41Å
345	Y	88.4	Confident	88	Confident	28 Å²	28	36 Å²	36	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-45	175.4	174	-94	0	0	0	111.7	V341 Y342 V343 C347 V348 V349 G555 F558 L559	V341-Y345 VanDerWaalsContact O-CB 3.29Å; V341-Y345 WeakPolarHBondContact O-CB 3.3Å; V341-Y345 PolarHBondContact O-N 3.34Å; Y342-Y345 PolarHBondContact O-N 3.05Å; V343-Y345 PolarHBondContact O-N 3.18Å; Y345-C347 PolarHBondContact O-N 3.43Å; Y345-V348 WeakPolarHBondContact O-CB 3.48Å; Y345-V348 PolarHBondContact O-N 3.4Å; Y345-V349 HydrophobicContact CD1-CG2 4.12Å; Y345-V349 HydrophobicContact CD2-CG2 4.14Å; Y345-V349 HydrophobicContact CE1-CB 4.43Å; Y345-V349 HydrophobicContact CE1-CG2 3.56Å; Y345-V349 HydrophobicContact CE2-CG2 3.65Å; Y345-V349 HydrophobicContact CG-CG2 4.39Å; Y345-V349 WeakPolarHBondContact O-CG2 3.45Å; Y345-V349 PolarHBondContact O-N 3.28Å; Y345-G555 PolarHBondContact OH-O 3.39Å; Y345-G555 VanDerWaalsContact OH-O 3.04Å; Y345-F558 AromaticContact CD2-CD1 3.62Å; Y345-F558 HydrophobicContact CD2-CD1 3.62Å; Y345-F558 AromaticContact CD2-CE1 3.46Å; Y345-F558 HydrophobicContact CD2-CE1 3.46Å; Y345-F558 VanDerWaalsContact CD2-CE1 3.46Å; Y345-F558 AromaticContact CE2-CD1 3.53Å; Y345-F558 HydrophobicContact CE2-CD1 3.53Å; Y345-F558 AromaticContact CE2-CE1 3.91Å; Y345-F558 HydrophobicContact CE2-CE1 3.91Å; Y345-F558 HydrophobicContact CG-CE1 4.18Å; Y345-L559 HydrophobicContact CD1-CD1 3.84Å; Y345-L559 HydrophobicContact CE1-CB 3.76Å; Y345-L559 HydrophobicContact CE1-CD1 3.54Å; Y345-L559 HydrophobicContact CE1-CD2 4.02Å; Y345-L559 HydrophobicContact CE1-CG 3.95Å; Y345-L559 WeakPolarHBondContact OH-CB 3.49Å
346	L	89.9	Confident	88.7	Confident	15 Å²	15	35.3 Å²	35.3	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-45.8	179.9	-174.5	65.3	0	0	0	111.5	Y342 V343 I344 V348 V349 V350 F574 H575 A578	Y342-L346 WeakPolarHBondContact O-CB 3.4Å; Y342-L346 PolarHBondContact O-N 3.47Å; V343-L346 PolarHBondContact O-N 2.97Å; I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 3.3Å; L346-V348 VanDerWaalsContact C-N 3.35Å; L346-V348 PolarHBondContact O-N 3.05Å; L346-V349 PolarHBondContact O-N 3.39Å; L346-V350 HydrophobicContact CD1-CG2 4.36Å; L346-V350 HydrophobicContact CG-CG2 4.42Å; L346-V350 WeakPolarHBondContact O-CB 3.21Å; L346-V350 VanDerWaalsContact O-CG2 3.26Å; L346-V350 WeakPolarHBondContact O-CG2 3.34Å; L346-V350 PolarHBondContact O-N 3.48Å; L346-F574 HydrophobicContact CD2-CD1 3.69Å; L346-F574 HydrophobicContact CD2-CE1 3.4Å; L346-H575 HydrophobicContact CD1-CB 4.24Å; L346-A578 HydrophobicContact CD1-CB 4.01Å; L346-A578 HydrophobicContact CD2-CB 4.08Å; L346-A578 HydrophobicContact CG-CB 4.36Å
347	C	92.8	Very high	89.6	Confident	58 Å²	58	37 Å²	37	39%	0.392	21%	0.214	S	C	.	.	H	α-helix	trans	-58.5	-46.1	175.1	-69.8	0	0	0	0	111.7	V343 I344 Y345 V350 I351 I639	V343-C347 PolarHBondContact O-N 3.06Å; V343-C347 PolarHBondContact O-SG 3.4Å; V343-C347 VanDerWaalsContact O-SG 3.35Å; I344-C347 PolarHBondContact O-N 3.18Å; Y345-C347 PolarHBondContact O-N 3.43Å; C347-V350 PolarHBondContact O-N 3.17Å; C347-I351 WeakPolarHBondContact O-CD1 3.22Å; C347-I351 VanDerWaalsContact O-CG1 3.28Å; C347-I351 WeakPolarHBondContact O-CG1 3.39Å; C347-I351 PolarHBondContact O-N 3.36Å; C347-I351 VanDerWaalsContact O-N 3.11Å; C347-I639 HydrophobicContact CB-CG2 4.48Å
348	V	92.3	Very high	90.2	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-51.4	176.1	164.4	0	0	0	0	110.8	I344 Y345 L346 I351 Q352 I639 C640	I344-V348 HydrophobicContact CG2-CG2 4.49Å; I344-V348 VanDerWaalsContact O-CG2 3.32Å; I344-V348 WeakPolarHBondContact O-CG2 3.1Å; I344-V348 PolarHBondContact O-N 3.49Å; Y345-V348 WeakPolarHBondContact O-CB 3.48Å; Y345-V348 PolarHBondContact O-N 3.4Å; L346-V348 VanDerWaalsContact C-N 3.35Å; L346-V348 PolarHBondContact O-N 3.05Å; V348-I351 PolarHBondContact O-N 2.86Å; V348-Q352 WeakPolarHBondContact O-CG 3.31Å; V348-Q352 PolarHBondContact O-N 3.4Å; V348-I639 HydrophobicContact CG2-CB 4.04Å; V348-I639 HydrophobicContact CG2-CG2 3.69Å; V348-C640 WeakPolarHBondContact CG1-SG 3.4Å
349	V	91.1	Very high	90.9	Very high	20 Å²	20	32.2 Å²	32.2	12%	0.121	18%	0.175	C	C	.	.	H	α-helix	trans	-67	-40.9	-176.8	173.1	0	0	0	0	111.9	Y345 L346 I351 Q352 L353 H575 T579	Y345-V349 HydrophobicContact CD1-CG2 4.12Å; Y345-V349 HydrophobicContact CD2-CG2 4.14Å; Y345-V349 HydrophobicContact CE1-CB 4.43Å; Y345-V349 HydrophobicContact CE1-CG2 3.56Å; Y345-V349 HydrophobicContact CE2-CG2 3.65Å; Y345-V349 HydrophobicContact CG-CG2 4.39Å; Y345-V349 WeakPolarHBondContact O-CG2 3.45Å; Y345-V349 PolarHBondContact O-N 3.28Å; L346-V349 PolarHBondContact O-N 3.39Å; V349-I351 VanDerWaalsContact C-N 3.3Å; V349-I351 PolarHBondContact O-N 3.48Å; V349-Q352 PolarHBondContact O-N 3.29Å; V349-L353 HydrophobicContact CG1-CD1 3.62Å; V349-L353 HydrophobicContact CG1-CG 3.97Å; V349-L353 VanDerWaalsContact O-CB 3.31Å; V349-L353 WeakPolarHBondContact O-CB 3.45Å; V349-L353 WeakPolarHBondContact O-CG 3.04Å; V349-L353 PolarHBondContact O-N 3.5Å; V349-H575 WeakPolarHBondContact CG1-NE2 3.35Å; V349-T579 HydrophobicContact CG1-CG2 4.13Å
350	V	94.9	Very high	91.3	Very high	15 Å²	15	31.2 Å²	31.2	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-44.5	176	166.8	0	0	0	0	110.8	L346 C347 N354 A578 T579 L582	L346-V350 HydrophobicContact CD1-CG2 4.36Å; L346-V350 HydrophobicContact CG-CG2 4.42Å; L346-V350 WeakPolarHBondContact O-CB 3.21Å; L346-V350 VanDerWaalsContact O-CG2 3.26Å; L346-V350 WeakPolarHBondContact O-CG2 3.34Å; L346-V350 PolarHBondContact O-N 3.48Å; C347-V350 PolarHBondContact O-N 3.17Å; V350-N354 WeakPolarHBondContact O-CB 3.47Å; V350-N354 PolarHBondContact O-N 2.98Å; V350-N354 PolarHBondContact O-ND2 2.86Å; V350-A578 HydrophobicContact CG2-CB 4.47Å; V350-T579 HydrophobicContact CG2-CG2 4.13Å; V350-L582 HydrophobicContact CG1-CB 3.59Å; V350-L582 HydrophobicContact CG1-CD1 4.32Å
351	I	95.1	Very high	91.9	Very high	33 Å²	33	27.9 Å²	27.9	17%	0.169	15%	0.152	C	C	.	.	H	α-helix	trans	-69.5	-40.9	179.6	-65.1	167.2	0	0	0	111.4	C347 V348 V349 N354 S355 L632 I635 I639	C347-I351 WeakPolarHBondContact O-CD1 3.22Å; C347-I351 VanDerWaalsContact O-CG1 3.28Å; C347-I351 WeakPolarHBondContact O-CG1 3.39Å; C347-I351 PolarHBondContact O-N 3.36Å; C347-I351 VanDerWaalsContact O-N 3.11Å; V348-I351 PolarHBondContact O-N 2.86Å; V349-I351 VanDerWaalsContact C-N 3.3Å; V349-I351 PolarHBondContact O-N 3.48Å; I351-N354 WeakPolarHBondContact O-CB 3.11Å; I351-N354 PolarHBondContact O-N 3.23Å; I351-S355 PolarHBondContact O-N 3.16Å; I351-S355 VanDerWaalsContact O-N 3.16Å; I351-L632 HydrophobicContact CG2-CB 4.25Å; I351-L632 HydrophobicContact CG2-CD2 4.42Å; I351-L632 WeakPolarHBondContact CG2-O 3.32Å; I351-I635 HydrophobicContact CD1-CG2 4.05Å; I351-I639 HydrophobicContact CD1-CD1 3.47Å; I351-I639 VanDerWaalsContact CD1-CD1 3.47Å
352	Q	93	Very high	92.5	Very high	58 Å²	58	27.4 Å²	27.4	27%	0.271	15%	0.149	S	C	.	.	H	α-helix	trans	-65.2	-41.6	176	-71.3	-173.7	27.1	0	0	112.4	V348 V349 N354 S355 L356 S636	V348-Q352 WeakPolarHBondContact O-CG 3.31Å; V348-Q352 PolarHBondContact O-N 3.4Å; V349-Q352 PolarHBondContact O-N 3.29Å; Q352-N354 VanDerWaalsContact C-N 3.34Å; Q352-S355 WeakPolarHBondContact O-CB 3.48Å; Q352-S355 PolarHBondContact O-N 3.35Å; Q352-L356 WeakPolarHBondContact O-CB 3.47Å; Q352-L356 PolarHBondContact O-N 3.05Å; Q352-S636 WeakPolarHBondContact CG-OG 3.42Å; Q352-S636 PolarHBondContact NE2-OG 3.15Å
353	L	92.9	Very high	92.9	Very high	50 Å²	50	27.9 Å²	27.9	26%	0.262	15%	0.151	S	C	.	.	H	α-helix	trans	-67.6	-35.2	176.5	-73.6	177.2	0	0	0	111.8	V349 L356 I357 T579 A583	V349-L353 HydrophobicContact CG1-CD1 3.62Å; V349-L353 HydrophobicContact CG1-CG 3.97Å; V349-L353 VanDerWaalsContact O-CB 3.31Å; V349-L353 WeakPolarHBondContact O-CB 3.45Å; V349-L353 WeakPolarHBondContact O-CG 3.04Å; V349-L353 PolarHBondContact O-N 3.5Å; L353-L356 HydrophobicContact CD2-CD2 4.26Å; L353-L356 PolarHBondContact O-N 2.91Å; L353-I357 WeakPolarHBondContact O-CB 2.93Å; L353-I357 WeakPolarHBondContact O-CG1 3.03Å; L353-I357 PolarHBondContact O-N 2.92Å; L353-T579 HydrophobicContact CD1-CG2 3.42Å; L353-T579 VanDerWaalsContact CD1-CG2 3.42Å; L353-A583 HydrophobicContact CB-CB 3.92Å
354	N	95.2	Very high	93.2	Very high	14 Å²	14	25.9 Å²	25.9	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-55.4	-52.7	171.4	-99.8	-83.3	0	0	0	111.3	V350 I351 Q352 L356 I357 G358 L582 A583 A587 Y590 L632	V350-N354 WeakPolarHBondContact O-CB 3.47Å; V350-N354 PolarHBondContact O-N 2.98Å; V350-N354 PolarHBondContact O-ND2 2.86Å; I351-N354 WeakPolarHBondContact O-CB 3.11Å; I351-N354 PolarHBondContact O-N 3.23Å; Q352-N354 VanDerWaalsContact C-N 3.34Å; N354-L356 VanDerWaalsContact C-N 3.33Å; N354-L356 PolarHBondContact O-N 3.34Å; N354-I357 PolarHBondContact O-N 3.32Å; N354-G358 PolarHBondContact O-N 3.42Å; N354-G358 VanDerWaalsContact O-N 3.09Å; N354-L582 PolarHBondContact ND2-O 3.07Å; N354-A583 HydrophobicContact CB-CB 4.39Å; N354-A583 VanDerWaalsContact ND2-CA 3.26Å; N354-A583 WeakPolarHBondContact ND2-CA 3.38Å; N354-A583 VanDerWaalsContact ND2-CB 3.3Å; N354-A583 WeakPolarHBondContact ND2-CB 3.43Å; N354-A587 WeakPolarHBondContact O-CB 3.42Å; N354-Y590 WeakPolarHBondContact CB-OH 3.36Å; N354-Y590 WeakPolarHBondContact OD1-CE1 3.42Å; N354-Y590 PolarHBondContact OD1-OH 3.06Å; N354-L632 HydrophobicContact CB-CD1 4.4Å
355	S	95.1	Very high	93.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-57.9	-45	176.8	-180	0	0	0	0	111.7	I351 Q352 M359 T629 R633	I351-S355 PolarHBondContact O-N 3.16Å; I351-S355 VanDerWaalsContact O-N 3.16Å; Q352-S355 WeakPolarHBondContact O-CB 3.48Å; Q352-S355 PolarHBondContact O-N 3.35Å; S355-M359 WeakPolarHBondContact O-CB 3.26Å; S355-M359 PolarHBondContact O-N 2.95Å; S355-T629 VanDerWaalsContact OG-CG2 3.31Å; S355-T629 WeakPolarHBondContact OG-CG2 3.11Å; S355-T629 PolarHBondContact OG-O 3.3Å; S355-R633 VanDerWaalsContact OG-CG 3.32Å; S355-R633 WeakPolarHBondContact OG-CG 3.39Å
356	L	93.1	Very high	93.8	Very high	76 Å²	76	23.1 Å²	23.1	40%	0.398	13%	0.127	S	C	.	.	H	α-helix	trans	-66.8	-46.5	-179.2	-176.8	64.5	0	0	0	112.8	Q352 L353 N354 M359 V360	Q352-L356 WeakPolarHBondContact O-CB 3.47Å; Q352-L356 PolarHBondContact O-N 3.05Å; L353-L356 HydrophobicContact CD2-CD2 4.26Å; L353-L356 PolarHBondContact O-N 2.91Å; N354-L356 VanDerWaalsContact C-N 3.33Å; N354-L356 PolarHBondContact O-N 3.34Å; L356-M359 PolarHBondContact O-N 3Å; L356-V360 HydrophobicContact CD1-CG2 4.08Å; L356-V360 HydrophobicContact CG-CG2 4.45Å; L356-V360 WeakPolarHBondContact O-CB 3.36Å; L356-V360 VanDerWaalsContact O-CG2 3.3Å; L356-V360 WeakPolarHBondContact O-CG2 3.41Å; L356-V360 PolarHBondContact O-N 3.21Å
357	I	94.1	Very high	94	Very high	38 Å²	38	22.5 Å²	22.5	20%	0.195	12%	0.123	C	C	.	.	H	α-helix	trans	-64.1	-48.6	-177.8	-69.8	169.1	0	0	0	110	L353 N354 M359 V360 T361 A583 A587 P588	L353-I357 WeakPolarHBondContact O-CB 2.93Å; L353-I357 WeakPolarHBondContact O-CG1 3.03Å; L353-I357 PolarHBondContact O-N 2.92Å; N354-I357 PolarHBondContact O-N 3.32Å; I357-M359 PolarHBondContact O-N 3.28Å; I357-V360 PolarHBondContact O-N 3.2Å; I357-T361 VanDerWaalsContact O-CB 3.3Å; I357-T361 WeakPolarHBondContact O-CB 3.41Å; I357-T361 PolarHBondContact O-N 2.64Å; I357-T361 PolarHBondContact O-OG1 3.42Å; I357-T361 VanDerWaalsContact O-OG1 3.12Å; I357-A583 HydrophobicContact CD1-CB 4.04Å; I357-A587 HydrophobicContact CB-CB 4.14Å; I357-A587 HydrophobicContact CG2-CB 4.03Å; I357-P588 HydrophobicContact CG2-CG 4.05Å
358	G	93.9	Very high	93.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-43.7	177.5	0	0	0	0	0	112.8	N354 Y362	N354-G358 PolarHBondContact O-N 3.42Å; N354-G358 VanDerWaalsContact O-N 3.09Å; G358-Y362 PolarHBondContact O-N 3.01Å
359	M	92.9	Very high	93.9	Very high	30 Å²	30	21.5 Å²	21.5	15%	0.148	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-42	176.6	-172.5	-120.2	-69.8	0	0	112.3	S355 L356 I357 K363 Y625 T629	S355-M359 WeakPolarHBondContact O-CB 3.26Å; S355-M359 PolarHBondContact O-N 2.95Å; L356-M359 PolarHBondContact O-N 3Å; I357-M359 PolarHBondContact O-N 3.28Å; M359-K363 WeakPolarHBondContact O-CB 3.39Å; M359-K363 PolarHBondContact O-N 3.28Å; M359-Y625 WeakPolarHBondContact CA-OH 3.3Å; M359-Y625 PolarHBondContact O-OH 3.17Å; M359-T629 HydrophobicContact CB-CG2 4.14Å; M359-T629 HydrophobicContact CE-CG2 4.47Å; M359-T629 HydrophobicContact CG-CG2 4.31Å
360	V	91.9	Very high	93.9	Very high	43 Å²	43	20.6 Å²	20.6	26%	0.261	11%	0.107	S	C	.	.	H	α-helix	trans	-71.9	-41.8	-179.9	170	0	0	0	0	111.6	L356 I357	L356-V360 HydrophobicContact CD1-CG2 4.08Å; L356-V360 HydrophobicContact CG-CG2 4.45Å; L356-V360 WeakPolarHBondContact O-CB 3.36Å; L356-V360 VanDerWaalsContact O-CG2 3.3Å; L356-V360 WeakPolarHBondContact O-CG2 3.41Å; L356-V360 PolarHBondContact O-N 3.21Å; I357-V360 PolarHBondContact O-N 3.2Å
361	T	95.1	Very high	93.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-44	-175.7	-70.7	0	0	0	0	111.8	K53 I56 D74 I357 P588	K53-T361 PolarHBondContact NZ-OG1 3Å; K53-T361 VanDerWaalsContact NZ-OG1 3.09Å; I56-T361 HydrophobicContact CD1-CG2 3.49Å; I56-T361 VanDerWaalsContact CD1-CG2 3.49Å; I56-T361 WeakPolarHBondContact CD1-O 3.28Å; D74-T361 WeakPolarHBondContact OD2-CG2 3.48Å; D74-T361 PolarHBondContact OD2-OG1 2.88Å; I357-T361 VanDerWaalsContact O-CB 3.3Å; I357-T361 WeakPolarHBondContact O-CB 3.41Å; I357-T361 PolarHBondContact O-N 2.64Å; I357-T361 PolarHBondContact O-OG1 3.42Å; I357-T361 VanDerWaalsContact O-OG1 3.12Å; T361-P588 HydrophobicContact CG2-CB 4.38Å
362	Y	96.1	Very high	93.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-98.9	0.6	-177.5	-67.6	-74.6	0	0	0	115.3	I56 S67 G71 G358 K365 Y366 P588 F591 G592 I595	I56-Y362 HydrophobicContact CG2-CD1 4.44Å; I56-Y362 HydrophobicContact CG2-CE1 4.27Å; S67-Y362 PolarHBondContact O-OH 2.91Å; S67-Y362 VanDerWaalsContact O-OH 3.04Å; G71-Y362 WeakPolarHBondContact CA-OH 3.47Å; G71-Y362 PolarHBondContact N-OH 2.68Å; G358-Y362 PolarHBondContact O-N 3.01Å; Y362-K365 HydrophobicContact CD1-CD 4.08Å; Y362-K365 CarbonylContact O-C 3.57Å; Y362-K365 WeakPolarHBondContact O-CB 3.42Å; Y362-K365 PolarHBondContact O-N 3.34Å; Y362-K365 VanDerWaalsContact O-N 3.17Å; Y362-Y366 PolarHBondContact O-N 2.91Å; Y362-P588 WeakPolarHBondContact CE2-O 3.25Å; Y362-P588 PolarHBondContact OH-O 3.02Å; Y362-F591 HydrophobicContact CD2-CB 3.67Å; Y362-F591 HydrophobicContact CE2-CB 3.63Å; Y362-G592 VanDerWaalsContact OH-CA 3.31Å; Y362-G592 WeakPolarHBondContact OH-CA 3.28Å; Y362-I595 HydrophobicContact CD1-CD1 3.63Å; Y362-I595 HydrophobicContact CD2-CD1 3.94Å; Y362-I595 HydrophobicContact CE1-CD1 4.2Å; Y362-I595 HydrophobicContact CE2-CD1 4.46Å; Y362-I595 HydrophobicContact CG-CD1 3.47Å; Y362-I595 VanDerWaalsContact CG-CD1 3.47Å
363	K	94.6	Very high	93.3	Very high	11 Å²	11	18 Å²	18	5%	0.048	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-41.7	178.6	178.5	171.7	179.2	-175.2	0	114.7	M359 K365 Y366 I367 M382 N386 S541 Y625	M359-K363 WeakPolarHBondContact O-CB 3.39Å; M359-K363 PolarHBondContact O-N 3.28Å; K363-K365 VanDerWaalsContact C-N 3.31Å; K363-K365 PolarHBondContact O-N 3.04Å; K363-Y366 WeakPolarHBondContact O-CB 3.45Å; K363-Y366 PolarHBondContact O-N 3.23Å; K363-I367 HydrophobicContact CG-CD1 4.18Å; K363-I367 WeakPolarHBondContact O-CG1 3.25Å; K363-I367 PolarHBondContact O-N 3.36Å; K363-M382 HydrophobicContact CD-CE 3.79Å; K363-M382 HydrophobicContact CD-SD 3.62Å; K363-M382 VanDerWaalsContact CE-SD 3.56Å; K363-M382 HydrophobicContact CG-CE 4.24Å; K363-M382 HydrophobicContact CG-SD 3.77Å; K363-N386 PolarHBondContact NZ-OD1 3.31Å; K363-S541 WeakPolarHBondContact CE-OG 3.38Å; K363-S541 PolarHBondContact NZ-OG 3.09Å; K363-Y625 PolarHBondContact N-OH 3.45Å
364	P	95.1	Very high	93.3	Very high	8 Å²	8	16.8 Å²	16.8	5%	0.052	9%	0.087	C	C	.	.	H	α-helix	trans	-58.8	-44.1	173.6	-19.7	29.1	0	0	0	111.8	Y226 I367 E368 M382	Y226-P364 HydrophobicContact CE1-CG 3.84Å; P364-I367 PolarHBondContact O-N 3.12Å; P364-E368 WeakPolarHBondContact O-CB 3.36Å; P364-E368 PolarHBondContact O-N 2.97Å; P364-M382 HydrophobicContact CG-CG 4.19Å
365	K	95.3	Very high	93.2	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-42	175.2	-178.5	173.4	-178.7	165.4	0	111.9	I56 T57 E60 S67 Y362 K363 I367 E368 Q369 Y616	I56-K365 HydrophobicContact CG2-CD 4.47Å; T57-K365 HydrophobicContact CG2-CB 3.69Å; T57-K365 HydrophobicContact CG2-CD 3.93Å; T57-K365 HydrophobicContact CG2-CG 3.6Å; E60-K365 IonicContact OE1-NZ 3.27Å; E60-K365 PolarHBondContact OE1-NZ 3.08Å; E60-K365 WeakPolarHBondContact OE2-CE 3.35Å; E60-K365 IonicContact OE2-NZ 3.8Å; E60-K365 PolarHBondContact OE2-NZ 3.46Å; S67-K365 PolarHBondContact OG-NZ 3.48Å; Y362-K365 HydrophobicContact CD1-CD 4.08Å; Y362-K365 CarbonylContact O-C 3.57Å; Y362-K365 WeakPolarHBondContact O-CB 3.42Å; Y362-K365 PolarHBondContact O-N 3.34Å; Y362-K365 VanDerWaalsContact O-N 3.17Å; K363-K365 VanDerWaalsContact C-N 3.31Å; K363-K365 PolarHBondContact O-N 3.04Å; K365-I367 PolarHBondContact O-N 2.82Å; K365-E368 PolarHBondContact O-N 3.36Å; K365-Q369 HydrophobicContact CG-CG 4.1Å; K365-Q369 WeakPolarHBondContact O-CB 3.49Å; K365-Q369 WeakPolarHBondContact O-CG 3.4Å; K365-Q369 PolarHBondContact O-N 2.93Å; K365-Y616 WeakPolarHBondContact CE-OH 3.47Å; K365-Y616 PolarHBondContact NZ-OH 3.38Å
366	Y	95.1	Very high	93.2	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-60.5	-44.5	175.5	178.6	-102.5	0	0	0	111.4	Y362 K363 E368 H370 F371 F537 Y621 Y625	Y362-Y366 PolarHBondContact O-N 2.91Å; K363-Y366 WeakPolarHBondContact O-CB 3.45Å; K363-Y366 PolarHBondContact O-N 3.23Å; Y366-E368 VanDerWaalsContact C-N 3.34Å; Y366-E368 PolarHBondContact O-N 3.2Å; Y366-H370 HydrophobicContact CD2-CB 4.05Å; Y366-H370 HydrophobicContact CE1-CB 4.33Å; Y366-H370 HydrophobicContact CE2-CB 3.79Å; Y366-H370 AromaticContact CE2-CG 3.76Å; Y366-H370 AromaticContact CE2-ND1 3.92Å; Y366-H370 HydrophobicContact CG-CB 4.42Å; Y366-H370 AromaticContact CZ-CD2 3.88Å; Y366-H370 AromaticContact CZ-CG 3.68Å; Y366-H370 WeakPolarHBondContact O-CA 3.1Å; Y366-H370 WeakPolarHBondContact O-CB 3.37Å; Y366-H370 PolarHBondContact O-N 3.44Å; Y366-H370 PolarHBondContact OH-CD2 3.26Å; Y366-F371 HydrophobicContact CE1-CE2 4Å; Y366-F537 HydrophobicContact CD1-CE2 4.49Å; Y366-F537 AromaticContact CD1-CZ 3.97Å; Y366-F537 HydrophobicContact CD1-CZ 3.97Å; Y366-F537 AromaticContact CE1-CE2 3.8Å; Y366-F537 HydrophobicContact CE1-CE2 3.8Å; Y366-F537 AromaticContact CE1-CZ 3.72Å; Y366-F537 HydrophobicContact CE1-CZ 3.72Å; Y366-Y621 AromaticContact CD2-CD2 3.79Å; Y366-Y621 HydrophobicContact CD2-CD2 3.79Å; Y366-Y621 AromaticContact CD2-CE2 3.62Å; Y366-Y621 HydrophobicContact CD2-CE2 3.62Å; Y366-Y621 HydrophobicContact CE2-CD2 4.14Å; Y366-Y621 HydrophobicContact CE2-CE2 4.41Å; Y366-Y625 HydrophobicContact CD1-CE1 4.32Å; Y366-Y625 AromaticContact CD2-CD1 3.56Å; Y366-Y625 HydrophobicContact CD2-CD1 3.56Å; Y366-Y625 AromaticContact CD2-CE1 3.93Å; Y366-Y625 HydrophobicContact CD2-CE1 3.93Å; Y366-Y625 HydrophobicContact CD2-CG 4.34Å; Y366-Y625 AromaticContact CE2-CD1 3.95Å; Y366-Y625 HydrophobicContact CE2-CD1 3.95Å; Y366-Y625 AromaticContact CG-CD1 3.93Å; Y366-Y625 HydrophobicContact CG-CD1 3.93Å; Y366-Y625 AromaticContact CG-CE1 3.79Å; Y366-Y625 HydrophobicContact CG-CE1 3.79Å
367	I	93.9	Very high	93.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-42.1	175.4	-68.5	167.3	0	0	0	111.2	K363 P364 K365 F371 Q373 A378 M382 F534 F537	K363-I367 HydrophobicContact CG-CD1 4.18Å; K363-I367 WeakPolarHBondContact O-CG1 3.25Å; K363-I367 PolarHBondContact O-N 3.36Å; P364-I367 PolarHBondContact O-N 3.12Å; K365-I367 PolarHBondContact O-N 2.82Å; I367-F371 PolarHBondContact O-N 3.5Å; I367-Q373 HydrophobicContact CG2-CB 4.12Å; I367-Q373 HydrophobicContact CG2-CG 4.21Å; I367-A378 HydrophobicContact CB-CB 3.97Å; I367-A378 HydrophobicContact CG2-CB 3.71Å; I367-M382 HydrophobicContact CD1-SD 4.39Å; I367-F534 HydrophobicContact CG2-CE2 3.6Å; I367-F534 HydrophobicContact CG2-CZ 3.89Å; I367-F537 HydrophobicContact CD1-CE1 4.33Å; I367-F537 HydrophobicContact CG1-CE1 3.95Å
368	E	91.9	Very high	93.4	Very high	12 Å²	12	15.8 Å²	15.8	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-48.9	178.6	-179.1	174.5	-171.5	0	0	111.9	T57 R61 P364 K365 Y366 R372 Q373 A375	T57-E368 VanDerWaalsContact CB-OE2 3.26Å; T57-E368 WeakPolarHBondContact CB-OE2 3.16Å; T57-E368 WeakPolarHBondContact CG2-OE2 3.45Å; T57-E368 PolarHBondContact OG1-OE2 3.37Å; R61-E368 IonicContact CZ-OE1 3.06Å; R61-E368 IonicContact NH1-OE1 3.76Å; R61-E368 PolarHBondContact NH1-OE1 2.96Å; R61-E368 IonicContact NH2-OE1 2.64Å; R61-E368 PolarHBondContact NH2-OE1 3.14Å; P364-E368 WeakPolarHBondContact O-CB 3.36Å; P364-E368 PolarHBondContact O-N 2.97Å; K365-E368 PolarHBondContact O-N 3.36Å; Y366-E368 VanDerWaalsContact C-N 3.34Å; Y366-E368 PolarHBondContact O-N 3.2Å; E368-R372 WeakPolarHBondContact O-CA 3.43Å; E368-R372 PolarHBondContact O-N 3.05Å; E368-Q373 VanDerWaalsContact CA-O 3.28Å; E368-Q373 WeakPolarHBondContact CA-O 3.04Å; E368-Q373 WeakPolarHBondContact CG-O 3.38Å; E368-Q373 PolarHBondContact O-N 3.23Å; E368-A375 WeakPolarHBondContact OE2-CB 3.26Å
369	Q	91.1	Very high	93.5	Very high	37 Å²	37	15.9 Å²	15.9	17%	0.173	8%	0.08	C	C	.	.	H	α-helix	trans	-83.4	-45.6	-174	-60.2	-55.5	-45.6	0	0	113.1	K365 Y616 Y621	K365-Q369 HydrophobicContact CG-CG 4.1Å; K365-Q369 WeakPolarHBondContact O-CB 3.49Å; K365-Q369 WeakPolarHBondContact O-CG 3.4Å; K365-Q369 PolarHBondContact O-N 2.93Å; Q369-Y616 HydrophobicContact CB-CD2 4.33Å; Q369-Y616 HydrophobicContact CG-CD2 3.99Å; Q369-Y616 HydrophobicContact CG-CE2 4.09Å; Q369-Y621 HydrophobicContact CB-CE1 4.01Å; Q369-Y621 HydrophobicContact CG-CE1 4.36Å
370	H	91.3	Very high	93.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-74.7	-44.3	-174.7	-168	79.4	0	0	0	112.6	Y366 T618	Y366-H370 HydrophobicContact CD2-CB 4.05Å; Y366-H370 HydrophobicContact CE1-CB 4.33Å; Y366-H370 HydrophobicContact CE2-CB 3.79Å; Y366-H370 AromaticContact CE2-CG 3.76Å; Y366-H370 AromaticContact CE2-ND1 3.92Å; Y366-H370 HydrophobicContact CG-CB 4.42Å; Y366-H370 AromaticContact CZ-CD2 3.88Å; Y366-H370 AromaticContact CZ-CG 3.68Å; Y366-H370 WeakPolarHBondContact O-CA 3.1Å; Y366-H370 WeakPolarHBondContact O-CB 3.37Å; Y366-H370 PolarHBondContact O-N 3.44Å; Y366-H370 PolarHBondContact OH-CD2 3.26Å; H370-T618 WeakPolarHBondContact CE1-CG2 3.37Å; H370-T618 PolarHBondContact CE1-O 3.46Å; H370-T618 VanDerWaalsContact ND1-CG2 3.25Å; H370-T618 WeakPolarHBondContact ND1-CG2 3.44Å; H370-T618 PolarHBondContact ND1-O 3.19Å
371	F	90.5	Very high	93.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-99.1	6.3	-178.7	-66.3	-79.5	0	0	0	113.3	Y366 I367 Q373 M533 F534 F537	Y366-F371 HydrophobicContact CE1-CE2 4Å; I367-F371 PolarHBondContact O-N 3.5Å; F371-Q373 HydrophobicContact CB-CG 4.03Å; F371-Q373 PolarHBondContact O-N 3.37Å; F371-Q373 VanDerWaalsContact O-N 3.13Å; F371-Q373 PolarHBondContact O-NE2 2.94Å; F371-Q373 VanDerWaalsContact O-NE2 3.08Å; F371-M533 HydrophobicContact CE1-CB 4.42Å; F371-F534 HydrophobicContact CB-CD2 3.7Å; F371-F534 HydrophobicContact CB-CE2 4.25Å; F371-F534 HydrophobicContact CB-CG 4.32Å; F371-F534 HydrophobicContact CD1-CB 3.79Å; F371-F534 AromaticContact CD1-CD2 3.82Å; F371-F534 HydrophobicContact CD1-CD2 3.82Å; F371-F534 HydrophobicContact CD1-CG 4.28Å; F371-F534 AromaticContact CD2-CD2 3.85Å; F371-F534 HydrophobicContact CD2-CD2 3.85Å; F371-F534 HydrophobicContact CD2-CE2 4.29Å; F371-F534 HydrophobicContact CE1-CB 4.31Å; F371-F534 HydrophobicContact CE1-CD2 4.4Å; F371-F534 HydrophobicContact CE2-CD2 4.42Å; F371-F534 HydrophobicContact CG-CB 4.3Å; F371-F534 AromaticContact CG-CD2 3.51Å; F371-F534 HydrophobicContact CG-CD2 3.51Å; F371-F534 HydrophobicContact CG-CE2 4.26Å; F371-F534 HydrophobicContact CG-CG 4.3Å; F371-F537 HydrophobicContact CD2-CD1 4.25Å; F371-F537 HydrophobicContact CE1-CB 4.14Å; F371-F537 HydrophobicContact CE1-CG 4.49Å; F371-F537 HydrophobicContact CE2-CB 4.02Å; F371-F537 AromaticContact CE2-CD1 3.49Å; F371-F537 HydrophobicContact CE2-CD1 3.49Å; F371-F537 VanDerWaalsContact CE2-CD1 3.49Å; F371-F537 AromaticContact CE2-CD2 3.87Å; F371-F537 HydrophobicContact CE2-CD2 3.87Å; F371-F537 AromaticContact CE2-CE1 3.87Å; F371-F537 HydrophobicContact CE2-CE1 3.87Å; F371-F537 HydrophobicContact CE2-CE2 4.21Å; F371-F537 AromaticContact CE2-CG 3.49Å; F371-F537 HydrophobicContact CE2-CG 3.49Å; F371-F537 VanDerWaalsContact CE2-CG 3.49Å; F371-F537 HydrophobicContact CE2-CZ 4.21Å; F371-F537 HydrophobicContact CZ-CB 3.47Å; F371-F537 VanDerWaalsContact CZ-CB 3.47Å; F371-F537 AromaticContact CZ-CD1 3.89Å; F371-F537 HydrophobicContact CZ-CD1 3.89Å; F371-F537 AromaticContact CZ-CD2 3.84Å; F371-F537 HydrophobicContact CZ-CD2 3.84Å; F371-F537 AromaticContact CZ-CG 3.44Å; F371-F537 HydrophobicContact CZ-CG 3.44Å; F371-F537 VanDerWaalsContact CZ-CG 3.44Å
372	R	89	Confident	93.7	Very high	37 Å²	37	18 Å²	18	14%	0.14	9%	0.086	C	C	.	.			trans	50.6	37.6	178.7	-50.1	-171.5	-156.7	154.1	13.5	113.5	E368 E435 N436 N526 K527	E368-R372 WeakPolarHBondContact O-CA 3.43Å; E368-R372 PolarHBondContact O-N 3.05Å; R372-E435 PolarHBondContact NH2-O 3.07Å; R372-N436 PolarHBondContact NH2-O 2.78Å; R372-N526 PolarHBondContact NH1-O 2.89Å; R372-K527 PolarHBondContact O-NZ 2.72Å
373	Q	91	Very high	93.6	Very high	14 Å²	14	18 Å²	18	7%	0.065	9%	0.086	C	C	.	.			trans	-89.2	152.7	174.6	-58	-60.5	-46.3	0	0	109.2	I367 E368 F371 K377 D531 F534	I367-Q373 HydrophobicContact CG2-CB 4.12Å; I367-Q373 HydrophobicContact CG2-CG 4.21Å; E368-Q373 VanDerWaalsContact CA-O 3.28Å; E368-Q373 WeakPolarHBondContact CA-O 3.04Å; E368-Q373 WeakPolarHBondContact CG-O 3.38Å; E368-Q373 PolarHBondContact O-N 3.23Å; F371-Q373 HydrophobicContact CB-CG 4.03Å; F371-Q373 PolarHBondContact O-N 3.37Å; F371-Q373 VanDerWaalsContact O-N 3.13Å; F371-Q373 PolarHBondContact O-NE2 2.94Å; F371-Q373 VanDerWaalsContact O-NE2 3.08Å; Q373-K377 VanDerWaalsContact OE1-CD 3.29Å; Q373-K377 VanDerWaalsContact OE1-CE 3.29Å; Q373-D531 PolarHBondContact NE2-OD1 2.79Å; Q373-F534 HydrophobicContact CG-CD1 4.36Å; Q373-F534 HydrophobicContact CG-CD2 4.42Å; Q373-F534 HydrophobicContact CG-CE1 4.05Å; Q373-F534 HydrophobicContact CG-CE2 4.13Å; Q373-F534 HydrophobicContact CG-CZ 3.91Å
374	S	92.8	Very high	93.6	Very high	24 Å²	24	20.7 Å²	20.7	17%	0.168	10%	0.103	C	C	.	.			trans	-65.8	148.4	173.4	56.7	0	0	0	0	111.5	P251 S376 K377 A378	P251-S374 VanDerWaalsContact O-CB 3.31Å; P251-S374 WeakPolarHBondContact O-CB 3.49Å; S374-S376 PolarHBondContact O-N 3.27Å; S374-S376 VanDerWaalsContact O-N 3.15Å; S374-S376 PolarHBondContact OG-OG 3.39Å; S374-K377 PolarHBondContact O-N 2.93Å; S374-K377 WeakPolarHBondContact OG-CB 3.5Å; S374-K377 PolarHBondContact OG-N 2.87Å; S374-A378 PolarHBondContact O-N 2.06Å
375	A	93.8	Very high	93.5	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-49.8	-40	173.1	0	0	0	0	0	113	A233 E368 A378 N379	A233-A375 HydrophobicContact CB-CB 4.21Å; E368-A375 WeakPolarHBondContact OE2-CB 3.26Å; A375-A378 PolarHBondContact O-N 3.22Å; A375-N379 WeakPolarHBondContact O-CB 3.4Å; A375-N379 PolarHBondContact O-N 2.8Å; A375-N379 PolarHBondContact O-ND2 2.83Å
376	S	95.8	Very high	93.3	Very high	16 Å²	16	23.2 Å²	23.2	11%	0.112	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-46.9	178.9	63	0	0	0	0	112.4	S230 S374 N379 F380	S230-S376 WeakPolarHBondContact CB-O 3.32Å; S230-S376 VanDerWaalsContact O-CB 3.26Å; S230-S376 WeakPolarHBondContact O-CB 3.09Å; S230-S376 PolarHBondContact OG-O 2.81Å; S374-S376 PolarHBondContact O-N 3.27Å; S374-S376 VanDerWaalsContact O-N 3.15Å; S374-S376 PolarHBondContact OG-OG 3.39Å; S376-N379 PolarHBondContact O-N 2.81Å; S376-F380 WeakPolarHBondContact O-CB 3.32Å; S376-F380 PolarHBondContact O-N 3.3Å
377	K	94.6	Very high	93.1	Very high	90 Å²	90	24.6 Å²	24.6	39%	0.391	12%	0.123	S	C	.	.	H	α-helix	trans	-65.2	-41.2	177	-172.5	172.9	173.3	-169.9	0	111.9	Q373 S374 F380 L381	Q373-K377 VanDerWaalsContact OE1-CD 3.29Å; Q373-K377 VanDerWaalsContact OE1-CE 3.29Å; S374-K377 PolarHBondContact O-N 2.93Å; S374-K377 WeakPolarHBondContact OG-CB 3.5Å; S374-K377 PolarHBondContact OG-N 2.87Å; K377-F380 PolarHBondContact O-N 2.86Å; K377-L381 HydrophobicContact CG-CD1 4.14Å; K377-L381 VanDerWaalsContact O-CG 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.3Å; K377-L381 PolarHBondContact O-N 2.88Å; K377-L381 VanDerWaalsContact O-N 3.1Å
378	A	95.6	Very high	93	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-49.3	175.6	0	0	0	0	0	111.6	I367 S374 A375 F380 L381 M382	I367-A378 HydrophobicContact CB-CB 3.97Å; I367-A378 HydrophobicContact CG2-CB 3.71Å; S374-A378 PolarHBondContact O-N 2.06Å; A375-A378 PolarHBondContact O-N 3.22Å; A378-F380 PolarHBondContact O-N 3.11Å; A378-L381 PolarHBondContact O-N 3.31Å; A378-M382 WeakPolarHBondContact O-CG 3.31Å; A378-M382 PolarHBondContact O-N 3.08Å
379	N	96.7	Very high	93.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-62	-40.6	177.5	-75.3	-25.4	0	0	0	112.5	S54 Y226 A375 S376 L381 M382 G383	S54-N379 PolarHBondContact O-ND2 2.81Å; Y226-N379 HydrophobicContact CD1-CB 4.42Å; A375-N379 WeakPolarHBondContact O-CB 3.4Å; A375-N379 PolarHBondContact O-N 2.8Å; A375-N379 PolarHBondContact O-ND2 2.83Å; S376-N379 PolarHBondContact O-N 2.81Å; N379-L381 PolarHBondContact O-N 2.88Å; N379-M382 PolarHBondContact O-N 3.25Å; N379-G383 PolarHBondContact O-N 3.05Å
380	F	96.7	Very high	93.1	Very high	95 Å²	95	27.3 Å²	27.3	42%	0.417	14%	0.144	S	C	.	.	H	α-helix	trans	-59	-49.1	176.5	-177.9	-100.2	0	0	0	112.1	L227 S230 S376 K377 A378 M382 G383 V384	L227-F380 HydrophobicContact CD2-CD2 3.74Å; L227-F380 HydrophobicContact CD2-CE2 3.96Å; S230-F380 WeakPolarHBondContact OG-CB 3.38Å; S376-F380 WeakPolarHBondContact O-CB 3.32Å; S376-F380 PolarHBondContact O-N 3.3Å; K377-F380 PolarHBondContact O-N 2.86Å; A378-F380 PolarHBondContact O-N 3.11Å; F380-M382 VanDerWaalsContact C-N 3.29Å; F380-M382 PolarHBondContact O-N 3.33Å; F380-G383 PolarHBondContact O-N 3.48Å; F380-V384 HydrophobicContact CD2-CG2 4.13Å; F380-V384 HydrophobicContact CE1-CG2 4.21Å; F380-V384 HydrophobicContact CE2-CG2 3.77Å; F380-V384 HydrophobicContact CG-CG2 4.49Å; F380-V384 HydrophobicContact CZ-CG2 3.82Å; F380-V384 WeakPolarHBondContact O-CG2 3.44Å; F380-V384 PolarHBondContact O-N 2.98Å
381	L	94.6	Very high	93	Very high	19 Å²	19	28.7 Å²	28.7	10%	0.099	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-31.1	-179	-64.2	169.7	0	0	0	112.3	K377 A378 N379 I385 N386 F534 L538	K377-L381 HydrophobicContact CG-CD1 4.14Å; K377-L381 VanDerWaalsContact O-CG 3.26Å; K377-L381 WeakPolarHBondContact O-CG 3.3Å; K377-L381 PolarHBondContact O-N 2.88Å; K377-L381 VanDerWaalsContact O-N 3.1Å; A378-L381 PolarHBondContact O-N 3.31Å; N379-L381 PolarHBondContact O-N 2.88Å; L381-I385 HydrophobicContact CD2-CD1 3.53Å; L381-I385 HydrophobicContact CD2-CG1 4.49Å; L381-I385 WeakPolarHBondContact O-CB 3.32Å; L381-I385 PolarHBondContact O-N 3.49Å; L381-N386 PolarHBondContact O-N 2.94Å; L381-N386 PolarHBondContact O-ND2 2.94Å; L381-F534 HydrophobicContact CD1-CE1 3.75Å; L381-F534 HydrophobicContact CD1-CZ 3.41Å; L381-F534 VanDerWaalsContact CD1-CZ 3.41Å; L381-L538 HydrophobicContact CB-CD1 4.39Å; L381-L538 HydrophobicContact CD1-CD2 4.37Å; L381-L538 HydrophobicContact CD2-CD2 4.01Å
382	M	93.5	Very high	93	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.025	18%	0.182	C	C	.	.	I	π-helix	trans	-64.8	-49.4	172	-73.5	-58.4	-61.5	0	0	111.3	Y226 K363 P364 I367 A378 N379 F380 N386 I387	Y226-M382 HydrophobicContact CD1-CB 3.83Å; Y226-M382 HydrophobicContact CD2-CB 4.42Å; Y226-M382 HydrophobicContact CE1-CB 3.96Å; Y226-M382 HydrophobicContact CE1-CG 4.47Å; Y226-M382 HydrophobicContact CG-CB 4.08Å; K363-M382 HydrophobicContact CD-CE 3.79Å; K363-M382 HydrophobicContact CD-SD 3.62Å; K363-M382 VanDerWaalsContact CE-SD 3.56Å; K363-M382 HydrophobicContact CG-CE 4.24Å; K363-M382 HydrophobicContact CG-SD 3.77Å; P364-M382 HydrophobicContact CG-CG 4.19Å; I367-M382 HydrophobicContact CD1-SD 4.39Å; A378-M382 WeakPolarHBondContact O-CG 3.31Å; A378-M382 PolarHBondContact O-N 3.08Å; N379-M382 PolarHBondContact O-N 3.25Å; F380-M382 VanDerWaalsContact C-N 3.29Å; F380-M382 PolarHBondContact O-N 3.33Å; M382-N386 HydrophobicContact CE-CB 4.13Å; M382-N386 PolarHBondContact O-N 3.46Å; M382-N386 HydrophobicContact SD-CB 4.04Å; M382-I387 WeakPolarHBondContact O-CG1 3.37Å; M382-I387 PolarHBondContact O-N 3.26Å
383	G	92.8	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-65.8	-47.6	-179.2	0	0	0	0	0	114	N379 F380 P388	N379-G383 PolarHBondContact O-N 3.05Å; F380-G383 PolarHBondContact O-N 3.48Å; G383-P388 VanDerWaalsContact O-CD 3.31Å; G383-P388 WeakPolarHBondContact O-CD 3.42Å
384	V	93.9	Very high	93	Very high	67 Å²	67	35.3 Å²	35.3	41%	0.406	19%	0.193	S	C	.	.	I	π-helix	trans	-84.7	-30.5	-170.9	179	0	0	0	0	113.2	L227 F380 P388	L227-V384 HydrophobicContact CD2-CG2 3.64Å; F380-V384 HydrophobicContact CD2-CG2 4.13Å; F380-V384 HydrophobicContact CE1-CG2 4.21Å; F380-V384 HydrophobicContact CE2-CG2 3.77Å; F380-V384 HydrophobicContact CG-CG2 4.49Å; F380-V384 HydrophobicContact CZ-CG2 3.82Å; F380-V384 WeakPolarHBondContact O-CG2 3.44Å; F380-V384 PolarHBondContact O-N 2.98Å; V384-P388 WeakPolarHBondContact O-CG 3.42Å
385	I	93.1	Very high	92.8	Very high	58 Å²	58	41.3 Å²	41.3	30%	0.297	22%	0.216	S	C	.	.	I	π-helix	trans	-113.5	-51	-169.4	-48.3	-179.1	0	0	0	111.4	L381 A389 L538 V542	L381-I385 HydrophobicContact CD2-CD1 3.53Å; L381-I385 HydrophobicContact CD2-CG1 4.49Å; L381-I385 WeakPolarHBondContact O-CB 3.32Å; L381-I385 PolarHBondContact O-N 3.49Å; I385-A389 WeakPolarHBondContact O-CB 3.36Å; I385-A389 PolarHBondContact O-N 2.86Å; I385-L538 HydrophobicContact CD1-CD2 3.95Å; I385-V542 HydrophobicContact CB-CG2 4.47Å; I385-V542 HydrophobicContact CG2-CG2 3.36Å
386	N	91.3	Very high	92.6	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.228	C	C	.	.	I	π-helix	trans	-76.6	-45.6	-172.9	-77.6	-92.2	0	0	0	113.3	K363 L381 M382 A389 V390	K363-N386 PolarHBondContact NZ-OD1 3.31Å; L381-N386 PolarHBondContact O-N 2.94Å; L381-N386 PolarHBondContact O-ND2 2.94Å; M382-N386 HydrophobicContact CE-CB 4.13Å; M382-N386 PolarHBondContact O-N 3.46Å; M382-N386 HydrophobicContact SD-CB 4.04Å; N386-A389 PolarHBondContact O-N 3.49Å; N386-V390 PolarHBondContact O-N 2.97Å
387	I	91.8	Very high	92.3	Very high	30 Å²	30	42.3 Å²	42.3	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-46.1	-178.4	-65	-67.3	0	0	0	111.8	P222 V223 Y226 M382 A389 V390 A391	P222-I387 HydrophobicContact CB-CD1 4.22Å; P222-I387 HydrophobicContact CB-CG1 4.47Å; P222-I387 HydrophobicContact CB-CG2 4.08Å; V223-I387 HydrophobicContact CG2-CB 4.1Å; V223-I387 HydrophobicContact CG2-CG2 3.52Å; Y226-I387 HydrophobicContact CD2-CD1 4.42Å; Y226-I387 HydrophobicContact CD2-CG1 4.09Å; Y226-I387 HydrophobicContact CE2-CD1 4.15Å; Y226-I387 HydrophobicContact CE2-CG1 4.28Å; M382-I387 WeakPolarHBondContact O-CG1 3.37Å; M382-I387 PolarHBondContact O-N 3.26Å; I387-A389 VanDerWaalsContact C-N 3.3Å; I387-A389 PolarHBondContact O-N 3.41Å; I387-V390 PolarHBondContact O-N 3.48Å; I387-A391 PolarHBondContact O-N 3.08Å; I387-A391 VanDerWaalsContact O-N 3.07Å
388	P	91.7	Very high	91.9	Very high	44 Å²	44	39.1 Å²	39.1	29%	0.286	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-35.3	176	-28.4	39.5	0	0	0	113.4	V223 G383 V384 V390 A391 L392	V223-P388 HydrophobicContact CG2-CG 4.3Å; G383-P388 VanDerWaalsContact O-CD 3.31Å; G383-P388 WeakPolarHBondContact O-CD 3.42Å; V384-P388 WeakPolarHBondContact O-CG 3.42Å; P388-V390 VanDerWaalsContact C-N 3.34Å; P388-V390 PolarHBondContact O-N 3.09Å; P388-A391 WeakPolarHBondContact O-CB 3.13Å; P388-A391 PolarHBondContact O-N 3.13Å; P388-L392 WeakPolarHBondContact O-CB 3.43Å; P388-L392 VanDerWaalsContact O-CG 3.3Å; P388-L392 WeakPolarHBondContact O-CG 3.5Å; P388-L392 PolarHBondContact O-N 3.42Å
389	A	93	Very high	91.4	Very high	10 Å²	10	43.1 Å²	43.1	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-40.9	176.1	0	0	0	0	0	112.4	I385 N386 I387 G393 V542	I385-A389 WeakPolarHBondContact O-CB 3.36Å; I385-A389 PolarHBondContact O-N 2.86Å; N386-A389 PolarHBondContact O-N 3.49Å; I387-A389 VanDerWaalsContact C-N 3.3Å; I387-A389 PolarHBondContact O-N 3.41Å; A389-G393 PolarHBondContact O-N 3.45Å; A389-V542 HydrophobicContact CB-CG1 3.83Å
390	V	91.2	Very high	91.1	Very high	53 Å²	53	46.1 Å²	46.1	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-44	173.8	175.6	0	0	0	0	111	N386 I387 P388 G393 M394 S549	N386-V390 PolarHBondContact O-N 2.97Å; I387-V390 PolarHBondContact O-N 3.48Å; P388-V390 VanDerWaalsContact C-N 3.34Å; P388-V390 PolarHBondContact O-N 3.09Å; V390-G393 PolarHBondContact O-N 3.33Å; V390-M394 HydrophobicContact CG1-SD 4.4Å; V390-M394 WeakPolarHBondContact O-CG 3.37Å; V390-M394 PolarHBondContact O-N 3.01Å; V390-S549 WeakPolarHBondContact O-CB 3.46Å; V390-S549 PolarHBondContact O-OG 3.29Å
391	A	89.1	Confident	90.6	Very high	31 Å²	31	42.4 Å²	42.4	26%	0.256	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-49	177.9	0	0	0	0	0	111.9	V219 I387 P388 G393 M394 F395	V219-A391 HydrophobicContact CG1-CB 3.43Å; V219-A391 VanDerWaalsContact CG1-CB 3.43Å; I387-A391 PolarHBondContact O-N 3.08Å; I387-A391 VanDerWaalsContact O-N 3.07Å; P388-A391 WeakPolarHBondContact O-CB 3.13Å; P388-A391 PolarHBondContact O-N 3.13Å; A391-G393 VanDerWaalsContact C-N 3.35Å; A391-G393 PolarHBondContact O-N 3.01Å; A391-M394 PolarHBondContact O-N 2.91Å; A391-F395 WeakPolarHBondContact O-CB 3.32Å; A391-F395 PolarHBondContact O-N 3Å
392	L	90.9	Very high	90	Very high	105 Å²	105	49.6 Å²	49.6	55%	0.55	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-39.2	179	-72.2	173.2	0	0	0	112	P388 S396 F546	P388-L392 WeakPolarHBondContact O-CB 3.43Å; P388-L392 VanDerWaalsContact O-CG 3.3Å; P388-L392 WeakPolarHBondContact O-CG 3.5Å; P388-L392 PolarHBondContact O-N 3.42Å; L392-S396 WeakPolarHBondContact O-CB 3.39Å; L392-S396 PolarHBondContact O-N 3.18Å; L392-S396 PolarHBondContact O-OG 2.66Å; L392-F546 HydrophobicContact CB-CD2 4.41Å; L392-F546 HydrophobicContact CB-CE2 4.27Å
393	G	92.1	Very high	89.8	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-41.9	177.8	0	0	0	0	0	112.6	A389 V390 A391 F395 S396 G397 S549 L550	A389-G393 PolarHBondContact O-N 3.45Å; V390-G393 PolarHBondContact O-N 3.33Å; A391-G393 VanDerWaalsContact C-N 3.35Å; A391-G393 PolarHBondContact O-N 3.01Å; G393-F395 VanDerWaalsContact C-N 3.34Å; G393-F395 PolarHBondContact O-N 2.83Å; G393-S396 PolarHBondContact O-N 3.2Å; G393-G397 PolarHBondContact O-N 3.01Å; G393-S549 WeakPolarHBondContact CA-OG 3.21Å; G393-L550 WeakPolarHBondContact O-CA 3.19Å; G393-L550 WeakPolarHBondContact O-CD2 3.38Å
394	M	89.2	Confident	89.6	Confident	85 Å²	85	63.9 Å²	63.9	42%	0.419	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-44.2	173.8	-71	-174	69.3	0	0	112.4	V390 A391 G398 S549 T553	V390-M394 HydrophobicContact CG1-SD 4.4Å; V390-M394 WeakPolarHBondContact O-CG 3.37Å; V390-M394 PolarHBondContact O-N 3.01Å; A391-M394 PolarHBondContact O-N 2.91Å; M394-G398 PolarHBondContact O-N 3.4Å; M394-S549 WeakPolarHBondContact CA-O 3.36Å; M394-T553 PolarHBondContact O-OG1 2.66Å
395	F	86.7	Confident	89.4	Confident	150 Å²	150	69.5 Å²	69.5	66%	0.658	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-48.5	177.3	-178.7	-99.5	0	0	0	111.7	A391 G393 G397 G398 L399	A391-F395 WeakPolarHBondContact O-CB 3.32Å; A391-F395 PolarHBondContact O-N 3Å; G393-F395 VanDerWaalsContact C-N 3.34Å; G393-F395 PolarHBondContact O-N 2.83Å; F395-G397 VanDerWaalsContact C-N 3.31Å; F395-G397 PolarHBondContact O-N 3.4Å; F395-G398 PolarHBondContact O-N 2.85Å; F395-L399 PolarHBondContact O-N 3.45Å
396	S	90.6	Very high	88.9	Confident	39 Å²	39	68.3 Å²	68.3	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-37.7	178.8	-59.3	0	0	0	0	112	L392 G393 G398 L399 L400	L392-S396 WeakPolarHBondContact O-CB 3.39Å; L392-S396 PolarHBondContact O-N 3.18Å; L392-S396 PolarHBondContact O-OG 2.66Å; G393-S396 PolarHBondContact O-N 3.2Å; S396-G398 PolarHBondContact O-N 2.93Å; S396-L399 PolarHBondContact O-N 2.69Å; S396-L400 WeakPolarHBondContact O-CB 3.36Å; S396-L400 PolarHBondContact O-N 3.44Å
397	G	89.7	Confident	88.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.4	-40.2	174.9	0	0	0	0	0	112.8	G393 F395 M401 L550	G393-G397 PolarHBondContact O-N 3.01Å; F395-G397 VanDerWaalsContact C-N 3.31Å; F395-G397 PolarHBondContact O-N 3.4Å; G397-M401 WeakPolarHBondContact O-CB 3.41Å; G397-M401 PolarHBondContact O-N 3.47Å; G397-L550 WeakPolarHBondContact CA-O 3.31Å
398	G	85	Confident	88.2	Confident	23 Å²	23	73.7 Å²	73.7	24%	0.237	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-43.9	172.7	0	0	0	0	0	112.8	M394 F395 S396 L400 M401 K402	M394-G398 PolarHBondContact O-N 3.4Å; F395-G398 PolarHBondContact O-N 2.85Å; S396-G398 PolarHBondContact O-N 2.93Å; G398-L400 VanDerWaalsContact C-N 3.35Å; G398-L400 PolarHBondContact O-N 2.87Å; G398-M401 PolarHBondContact O-N 3.22Å; G398-K402 PolarHBondContact O-N 3.23Å
399	L	85.5	Confident	87.8	Confident	85 Å²	85	73 Å²	73	45%	0.445	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-43.6	176.3	-178.9	64	0	0	0	111.6	F395 S396 K402 R403	F395-L399 PolarHBondContact O-N 3.45Å; S396-L399 PolarHBondContact O-N 2.69Å; L399-K402 PolarHBondContact O-N 2.9Å; L399-R403 HydrophobicContact CD1-CG 4.22Å; L399-R403 HydrophobicContact CG-CG 4.32Å; L399-R403 WeakPolarHBondContact O-CB 3.45Å; L399-R403 WeakPolarHBondContact O-CG 3.2Å; L399-R403 PolarHBondContact O-N 3.4Å
400	L	91.3	Very high	87.5	Confident	65 Å²	65	73.6 Å²	73.6	34%	0.34	37%	0.37	S	S	.	.	H	α-helix	trans	-66.9	-40.9	-180	-169.1	62.6	0	0	0	111.4	S396 G398 K402 R403 L404 F414	S396-L400 WeakPolarHBondContact O-CB 3.36Å; S396-L400 PolarHBondContact O-N 3.44Å; G398-L400 VanDerWaalsContact C-N 3.35Å; G398-L400 PolarHBondContact O-N 2.87Å; L400-K402 VanDerWaalsContact C-N 3.3Å; L400-K402 PolarHBondContact O-N 2.9Å; L400-R403 PolarHBondContact O-N 2.88Å; L400-L404 HydrophobicContact CD1-CD1 3.69Å; L400-L404 HydrophobicContact CD1-CG 3.87Å; L400-L404 HydrophobicContact CD2-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 3.71Å; L400-L404 HydrophobicContact CG-CG 4.2Å; L400-L404 VanDerWaalsContact O-CB 3.31Å; L400-L404 WeakPolarHBondContact O-CB 3.39Å; L400-L404 WeakPolarHBondContact O-CG 3.21Å; L400-L404 PolarHBondContact O-N 2.82Å; L400-F414 HydrophobicContact CD2-CE2 3.48Å; L400-F414 VanDerWaalsContact CD2-CE2 3.48Å; L400-F414 HydrophobicContact CD2-CZ 3.52Å
401	M	84.8	Confident	87.3	Confident	17 Å²	17	71.1 Å²	71.1	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-40.8	173.4	-175.2	-175.7	156.3	0	0	112.2	G397 G398 K405 L406 P554 M557	G397-M401 WeakPolarHBondContact O-CB 3.41Å; G397-M401 PolarHBondContact O-N 3.47Å; G398-M401 PolarHBondContact O-N 3.22Å; M401-K405 PolarHBondContact O-N 3.45Å; M401-K405 VanDerWaalsContact O-N 3.17Å; M401-L406 HydrophobicContact CB-CD1 4.37Å; M401-L406 HydrophobicContact CG-CB 4.15Å; M401-L406 HydrophobicContact CG-CD1 4.35Å; M401-L406 PolarHBondContact O-N 3.35Å; M401-P554 HydrophobicContact CB-CG 4.25Å; M401-P554 HydrophobicContact SD-CB 4.16Å; M401-P554 HydrophobicContact SD-CG 4.31Å; M401-M557 HydrophobicContact CE-CB 3.68Å; M401-M557 HydrophobicContact CE-CG 3.84Å; M401-M557 HydrophobicContact SD-CB 3.93Å; M401-M557 HydrophobicContact SD-CG 3.84Å
402	K	83.4	Confident	87.2	Confident	171 Å²	171	70.1 Å²	70.1	74%	0.743	35%	0.346	S	S	*	.	H	α-helix	trans	-68.1	-48.1	175.8	-177.2	177.1	-179.8	176.8	0	112	G398 L399 L400 K405	G398-K402 PolarHBondContact O-N 3.23Å; L399-K402 PolarHBondContact O-N 2.9Å; L400-K402 VanDerWaalsContact C-N 3.3Å; L400-K402 PolarHBondContact O-N 2.9Å; K402-K405 PolarHBondContact O-N 3.38Å
403	R	88.5	Confident	87.2	Confident	203 Å²	203	70.9 Å²	70.9	77%	0.766	35%	0.345	S	S	*	.	H	α-helix	trans	-63.6	-43.9	-178.4	-75.9	-77.5	-172.2	172.6	1.3	112.1	L399 L400 K405	L399-R403 HydrophobicContact CD1-CG 4.22Å; L399-R403 HydrophobicContact CG-CG 4.32Å; L399-R403 WeakPolarHBondContact O-CB 3.45Å; L399-R403 WeakPolarHBondContact O-CG 3.2Å; L399-R403 PolarHBondContact O-N 3.4Å; L400-R403 PolarHBondContact O-N 2.88Å; R403-K405 VanDerWaalsContact C-N 3.28Å; R403-K405 PolarHBondContact O-N 3.32Å
404	L	89.4	Confident	87.1	Confident	101 Å²	101	72.8 Å²	72.8	53%	0.529	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.5	179.4	-61.2	-179.7	0	0	0	113.5	L400 L406	L400-L404 HydrophobicContact CD1-CD1 3.69Å; L400-L404 HydrophobicContact CD1-CG 3.87Å; L400-L404 HydrophobicContact CD2-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 3.71Å; L400-L404 HydrophobicContact CG-CG 4.2Å; L400-L404 VanDerWaalsContact O-CB 3.31Å; L400-L404 WeakPolarHBondContact O-CB 3.39Å; L400-L404 WeakPolarHBondContact O-CG 3.21Å; L400-L404 PolarHBondContact O-N 2.82Å; L404-L406 HydrophobicContact CB-CD2 3.71Å; L404-L406 HydrophobicContact CB-CG 3.91Å; L404-L406 HydrophobicContact CD1-CD2 4.22Å; L404-L406 PolarHBondContact O-N 3.06Å
405	K	89.1	Confident	87.2	Confident	185 Å²	185	69.6 Å²	69.6	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	47.7	-176	-61.3	-178.4	-179.8	178.6	0	112.1	M401 K402 R403 N407	M401-K405 PolarHBondContact O-N 3.45Å; M401-K405 VanDerWaalsContact O-N 3.17Å; K402-K405 PolarHBondContact O-N 3.38Å; R403-K405 VanDerWaalsContact C-N 3.28Å; R403-K405 PolarHBondContact O-N 3.32Å; K405-N407 PolarHBondContact O-N 3.03Å
406	L	83.6	Confident	87.5	Confident	33 Å²	33	65.3 Å²	65.3	17%	0.173	32%	0.322	C	S	.	.			trans	-62.1	123.6	-174.7	-60.8	179	0	0	0	110.6	M401 L404 F414 R561	M401-L406 HydrophobicContact CB-CD1 4.37Å; M401-L406 HydrophobicContact CG-CB 4.15Å; M401-L406 HydrophobicContact CG-CD1 4.35Å; M401-L406 PolarHBondContact O-N 3.35Å; L404-L406 HydrophobicContact CB-CD2 3.71Å; L404-L406 HydrophobicContact CB-CG 3.91Å; L404-L406 HydrophobicContact CD1-CD2 4.22Å; L404-L406 PolarHBondContact O-N 3.06Å; L406-F414 HydrophobicContact CD1-CB 3.92Å; L406-F414 HydrophobicContact CD1-CD2 4.45Å; L406-F414 HydrophobicContact CD1-CG 4.08Å; L406-R561 PolarHBondContact O-NH1 3.07Å
407	N	84.6	Confident	87.6	Confident	110 Å²	110	66.5 Å²	66.5	59%	0.588	33%	0.329	S	S	*	.			trans	-69.1	172.4	170	-161.6	5.4	0	0	0	110.4	K405 M409 G410 A411	K405-N407 PolarHBondContact O-N 3.03Å; N407-M409 VanDerWaalsContact C-N 3.3Å; N407-M409 PolarHBondContact O-N 3.22Å; N407-G410 CarbonylContact O-C 3.56Å; N407-G410 WeakPolarHBondContact O-CA 3.44Å; N407-G410 PolarHBondContact O-N 3.36Å; N407-A411 PolarHBondContact O-N 3.2Å
408	I	82.2	Confident	87.8	Confident	38 Å²	38	66.9 Å²	66.9	20%	0.195	33%	0.332	C	S	.	.	H	α-helix	trans	-51.2	-48.4	-178.1	-59.6	174.8	0	0	0	111.5	G410 A411 A412 F558 R561	I408-G410 PolarHBondContact O-N 3.3Å; I408-A411 PolarHBondContact O-N 2.98Å; I408-A412 PolarHBondContact O-N 3.36Å; I408-F558 HydrophobicContact CG2-CD2 3.75Å; I408-F558 HydrophobicContact CG2-CE2 3.92Å; I408-R561 HydrophobicContact CD1-CB 3.84Å; I408-R561 HydrophobicContact CG1-CB 3.77Å; I408-R561 HydrophobicContact CG1-CG 4.46Å
409	M	83.8	Confident	88.2	Confident	29 Å²	29	66.1 Å²	66.1	14%	0.143	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-36.1	176	-177	57.3	69.2	0	0	112.6	N407 K413 F644 L647 L651	N407-M409 VanDerWaalsContact C-N 3.3Å; N407-M409 PolarHBondContact O-N 3.22Å; M409-K413 HydrophobicContact CG-CD 4.26Å; M409-K413 WeakPolarHBondContact O-CB 3.24Å; M409-K413 VanDerWaalsContact O-CG 3.29Å; M409-K413 WeakPolarHBondContact O-CG 3.43Å; M409-K413 PolarHBondContact O-N 2.99Å; M409-K413 HydrophobicContact SD-CD 4.45Å; M409-K413 HydrophobicContact SD-CG 4.29Å; M409-F644 HydrophobicContact SD-CD1 4.33Å; M409-F644 HydrophobicContact SD-CE1 4.4Å; M409-L647 HydrophobicContact CE-CB 4.33Å; M409-L647 HydrophobicContact CE-CD2 3.62Å; M409-L647 HydrophobicContact CE-CG 3.68Å; M409-L647 HydrophobicContact SD-CD2 4.23Å; M409-L651 HydrophobicContact CB-CD1 3.91Å; M409-L651 HydrophobicContact CE-CD1 3.52Å
410	G	86.8	Confident	88.7	Confident	23 Å²	23	65.3 Å²	65.3	24%	0.237	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-42	175.2	0	0	0	0	0	112.5	N407 I408 K413 F414	N407-G410 CarbonylContact O-C 3.56Å; N407-G410 WeakPolarHBondContact O-CA 3.44Å; N407-G410 PolarHBondContact O-N 3.36Å; I408-G410 PolarHBondContact O-N 3.3Å; G410-K413 PolarHBondContact O-N 3.27Å; G410-F414 VanDerWaalsContact O-CB 3.26Å; G410-F414 WeakPolarHBondContact O-CB 3.24Å; G410-F414 PolarHBondContact O-N 3.35Å
411	A	86.6	Confident	88.9	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-65.8	-43.1	176.5	0	0	0	0	0	111.7	N407 I408 F414 A415 P554	N407-A411 PolarHBondContact O-N 3.2Å; I408-A411 PolarHBondContact O-N 2.98Å; A411-F414 PolarHBondContact O-N 2.89Å; A411-A415 WeakPolarHBondContact O-CB 3.19Å; A411-A415 PolarHBondContact O-N 2.86Å; A411-P554 HydrophobicContact CB-CB 4.22Å
412	A	87.1	Confident	89.4	Confident	10 Å²	10	65.8 Å²	65.8	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-48.4	175	0	0	0	0	0	111.9	I408 F414 A415 F416 F558 F644 L647	I408-A412 PolarHBondContact O-N 3.36Å; A412-F414 PolarHBondContact O-N 2.83Å; A412-A415 PolarHBondContact O-N 2.89Å; A412-F416 WeakPolarHBondContact O-CB 3.26Å; A412-F416 PolarHBondContact O-N 3.04Å; A412-F558 HydrophobicContact CB-CD2 3.8Å; A412-F558 HydrophobicContact CB-CE2 4.04Å; A412-F558 HydrophobicContact CB-CG 4.31Å; A412-F644 HydrophobicContact CB-CE1 3.94Å; A412-F644 HydrophobicContact CB-CZ 4.24Å; A412-L647 HydrophobicContact CB-CD2 4.31Å
413	K	90.3	Very high	89.9	Confident	121 Å²	121	59.7 Å²	59.7	53%	0.526	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-44.7	175.9	-75.1	178	178.4	-177.9	0	111.6	M409 G410 F416 C417 F644	M409-K413 HydrophobicContact CG-CD 4.26Å; M409-K413 WeakPolarHBondContact O-CB 3.24Å; M409-K413 VanDerWaalsContact O-CG 3.29Å; M409-K413 WeakPolarHBondContact O-CG 3.43Å; M409-K413 PolarHBondContact O-N 2.99Å; M409-K413 HydrophobicContact SD-CD 4.45Å; M409-K413 HydrophobicContact SD-CG 4.29Å; G410-K413 PolarHBondContact O-N 3.27Å; K413-F416 PolarHBondContact O-N 3.44Å; K413-C417 WeakPolarHBondContact O-CB 3.43Å; K413-C417 PolarHBondContact O-N 3.24Å; K413-C417 PolarHBondContact O-SG 3.03Å; K413-F644 HydrophobicContact CG-CE1 4.24Å
414	F	92	Very high	90.2	Very high	39 Å²	39	54.2 Å²	54.2	17%	0.171	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-45.3	179.4	-177.2	-93.5	0	0	0	112.5	L400 L406 G410 A411 A412 F416 C417 T418 L550 P554	L400-F414 HydrophobicContact CD2-CE2 3.48Å; L400-F414 VanDerWaalsContact CD2-CE2 3.48Å; L400-F414 HydrophobicContact CD2-CZ 3.52Å; L406-F414 HydrophobicContact CD1-CB 3.92Å; L406-F414 HydrophobicContact CD1-CD2 4.45Å; L406-F414 HydrophobicContact CD1-CG 4.08Å; G410-F414 VanDerWaalsContact O-CB 3.26Å; G410-F414 WeakPolarHBondContact O-CB 3.24Å; G410-F414 PolarHBondContact O-N 3.35Å; A411-F414 PolarHBondContact O-N 2.89Å; A412-F414 PolarHBondContact O-N 2.83Å; F414-F416 VanDerWaalsContact C-N 3.34Å; F414-F416 PolarHBondContact O-N 3.01Å; F414-C417 PolarHBondContact O-N 2.78Å; F414-T418 HydrophobicContact CD1-CG2 4.31Å; F414-T418 HydrophobicContact CE1-CG2 3.83Å; F414-T418 HydrophobicContact CE2-CG2 4.11Å; F414-T418 HydrophobicContact CZ-CG2 3.69Å; F414-T418 WeakPolarHBondContact O-CB 3.36Å; F414-T418 WeakPolarHBondContact O-CG2 3.3Å; F414-T418 PolarHBondContact O-N 3.48Å; F414-T418 PolarHBondContact O-OG1 3.46Å; F414-L550 HydrophobicContact CE1-CB 4.34Å; F414-L550 HydrophobicContact CZ-CB 4.34Å; F414-P554 HydrophobicContact CD1-CB 4.02Å; F414-P554 HydrophobicContact CD1-CG 3.66Å; F414-P554 HydrophobicContact CE1-CG 3.94Å
415	A	91.1	Very high	90.5	Very high	19 Å²	19	51.3 Å²	51.3	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-40.6	175.8	0	0	0	0	0	111.9	A411 A412 T418 S419	A411-A415 WeakPolarHBondContact O-CB 3.19Å; A411-A415 PolarHBondContact O-N 2.86Å; A412-A415 PolarHBondContact O-N 2.89Å; A415-T418 WeakPolarHBondContact CA-OG1 3.42Å; A415-T418 PolarHBondContact O-OG1 2.74Å; A415-S419 VanDerWaalsContact O-CB 3.31Å; A415-S419 WeakPolarHBondContact O-CB 3.4Å; A415-S419 PolarHBondContact O-N 3.35Å
416	F	91.6	Very high	90.7	Very high	60 Å²	60	42.7 Å²	42.7	26%	0.263	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-48.3	175.3	178.1	-93.4	0	0	0	112.2	A412 K413 F414 T418 S419 L420 F637 C640 F644	A412-F416 WeakPolarHBondContact O-CB 3.26Å; A412-F416 PolarHBondContact O-N 3.04Å; K413-F416 PolarHBondContact O-N 3.44Å; F414-F416 VanDerWaalsContact C-N 3.34Å; F414-F416 PolarHBondContact O-N 3.01Å; F416-T418 PolarHBondContact O-N 3.27Å; F416-S419 PolarHBondContact O-N 3.37Å; F416-L420 HydrophobicContact CE1-CD2 4.17Å; F416-L420 WeakPolarHBondContact O-CB 3.35Å; F416-L420 PolarHBondContact O-N 3.01Å; F416-F637 HydrophobicContact CD2-CD1 4.11Å; F416-F637 HydrophobicContact CD2-CE1 4.31Å; F416-F637 AromaticContact CE2-CD1 3.59Å; F416-F637 HydrophobicContact CE2-CD1 3.59Å; F416-F637 HydrophobicContact CE2-CE1 4.14Å; F416-F637 HydrophobicContact CZ-CD1 4.3Å; F416-C640 HydrophobicContact CD2-CB 4.3Å; F416-C640 HydrophobicContact CE2-CB 4.11Å; F416-F644 HydrophobicContact CB-CE2 3.85Å; F416-F644 HydrophobicContact CB-CZ 3.69Å; F416-F644 AromaticContact CD2-CE2 3.65Å; F416-F644 HydrophobicContact CD2-CE2 3.65Å; F416-F644 HydrophobicContact CD2-CZ 4.36Å; F416-F644 HydrophobicContact CE2-CE2 4.31Å; F416-F644 AromaticContact CG-CE2 3.77Å; F416-F644 HydrophobicContact CG-CE2 3.77Å; F416-F644 HydrophobicContact CG-CZ 4.05Å
417	C	93.5	Very high	91.2	Very high	63 Å²	63	44.5 Å²	44.5	43%	0.426	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-46.1	180	-72.4	0	0	0	0	112.1	K413 F414 L420 I421	K413-C417 WeakPolarHBondContact O-CB 3.43Å; K413-C417 PolarHBondContact O-N 3.24Å; K413-C417 PolarHBondContact O-SG 3.03Å; F414-C417 PolarHBondContact O-N 2.78Å; C417-L420 PolarHBondContact O-N 3Å; C417-I421 VanDerWaalsContact O-CG1 3.26Å; C417-I421 WeakPolarHBondContact O-CG1 3.11Å; C417-I421 PolarHBondContact O-N 2.74Å
418	T	94.6	Very high	91.7	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-40.8	177	47.9	0	0	0	0	111.9	F414 A415 F416 G422 I547 L550 G551	F414-T418 HydrophobicContact CD1-CG2 4.31Å; F414-T418 HydrophobicContact CE1-CG2 3.83Å; F414-T418 HydrophobicContact CE2-CG2 4.11Å; F414-T418 HydrophobicContact CZ-CG2 3.69Å; F414-T418 WeakPolarHBondContact O-CB 3.36Å; F414-T418 WeakPolarHBondContact O-CG2 3.3Å; F414-T418 PolarHBondContact O-N 3.48Å; F414-T418 PolarHBondContact O-OG1 3.46Å; A415-T418 WeakPolarHBondContact CA-OG1 3.42Å; A415-T418 PolarHBondContact O-OG1 2.74Å; F416-T418 PolarHBondContact O-N 3.27Å; T418-G422 PolarHBondContact O-N 3.19Å; T418-I547 WeakPolarHBondContact CB-O 3.12Å; T418-I547 WeakPolarHBondContact O-CG2 3.47Å; T418-L550 HydrophobicContact CG2-CB 3.95Å; T418-G551 WeakPolarHBondContact OG1-CA 3.32Å; T418-G551 PolarHBondContact OG1-N 3.38Å
419	S	93.1	Very high	92.2	Very high	8 Å²	8	42 Å²	42	6%	0.056	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-41.2	173.7	-168	0	0	0	0	112.3	A415 F416 G422 Y423 R633	A415-S419 VanDerWaalsContact O-CB 3.31Å; A415-S419 WeakPolarHBondContact O-CB 3.4Å; A415-S419 PolarHBondContact O-N 3.35Å; F416-S419 PolarHBondContact O-N 3.37Å; S419-G422 PolarHBondContact O-N 3.44Å; S419-Y423 WeakPolarHBondContact O-CB 3.47Å; S419-Y423 PolarHBondContact O-N 3.01Å; S419-R633 PolarHBondContact OG-NH2 2.78Å
420	L	94.5	Very high	92.6	Very high	68 Å²	68	43.5 Å²	43.5	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-65.9	-46.2	178	-178.6	63.9	0	0	0	112	F416 C417 G422 Y423 V424 F637	F416-L420 HydrophobicContact CE1-CD2 4.17Å; F416-L420 WeakPolarHBondContact O-CB 3.35Å; F416-L420 PolarHBondContact O-N 3.01Å; C417-L420 PolarHBondContact O-N 3Å; L420-G422 VanDerWaalsContact C-N 3.29Å; L420-G422 PolarHBondContact O-N 3.14Å; L420-Y423 WeakPolarHBondContact O-CB 3.31Å; L420-Y423 PolarHBondContact O-N 3.24Å; L420-Y423 VanDerWaalsContact O-N 3.15Å; L420-V424 WeakPolarHBondContact O-CG2 3.18Å; L420-V424 PolarHBondContact O-N 2.72Å; L420-F637 HydrophobicContact CB-CE1 4.47Å; L420-F637 HydrophobicContact CB-CZ 4.44Å; L420-F637 HydrophobicContact CD1-CZ 4.49Å
421	I	96	Very high	92.7	Very high	92 Å²	92	46.9 Å²	46.9	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-45.4	173.8	-65.1	164.2	0	0	0	109.5	C417 Y423 V424 L425 I547	C417-I421 VanDerWaalsContact O-CG1 3.26Å; C417-I421 WeakPolarHBondContact O-CG1 3.11Å; C417-I421 PolarHBondContact O-N 2.74Å; I421-Y423 VanDerWaalsContact C-N 3.29Å; I421-Y423 PolarHBondContact O-N 3.07Å; I421-V424 PolarHBondContact O-N 3.41Å; I421-L425 HydrophobicContact CG2-CD1 4.11Å; I421-L425 HydrophobicContact CG2-CG 4.41Å; I421-L425 WeakPolarHBondContact O-CG 3.26Å; I421-L425 PolarHBondContact O-N 2.9Å; I421-I547 HydrophobicContact CB-CG2 4.06Å; I421-I547 HydrophobicContact CG2-CG2 3.86Å
422	G	95	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-36.7	175.7	0	0	0	0	0	113.5	T418 S419 L420 S426	T418-G422 PolarHBondContact O-N 3.19Å; S419-G422 PolarHBondContact O-N 3.44Å; L420-G422 VanDerWaalsContact C-N 3.29Å; L420-G422 PolarHBondContact O-N 3.14Å; G422-S426 WeakPolarHBondContact O-CB 3.32Å; G422-S426 PolarHBondContact O-N 2.81Å; G422-S426 PolarHBondContact O-OG 3.06Å
423	Y	94.4	Very high	92.7	Very high	43 Å²	43	49.9 Å²	49.9	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-46.9	174.3	168.7	-93.6	0	0	0	112	S419 L420 I421 L425 S426 M427 L630 R633 T634 F637	S419-Y423 WeakPolarHBondContact O-CB 3.47Å; S419-Y423 PolarHBondContact O-N 3.01Å; L420-Y423 WeakPolarHBondContact O-CB 3.31Å; L420-Y423 PolarHBondContact O-N 3.24Å; L420-Y423 VanDerWaalsContact O-N 3.15Å; I421-Y423 VanDerWaalsContact C-N 3.29Å; I421-Y423 PolarHBondContact O-N 3.07Å; Y423-L425 VanDerWaalsContact C-N 3.33Å; Y423-L425 PolarHBondContact O-N 3.3Å; Y423-S426 WeakPolarHBondContact O-CB 3.34Å; Y423-S426 PolarHBondContact O-N 3.22Å; Y423-S426 VanDerWaalsContact O-N 3.09Å; Y423-M427 HydrophobicContact CE1-CE 3.95Å; Y423-M427 HydrophobicContact CE2-CE 3.75Å; Y423-M427 PolarHBondContact O-N 2.88Å; Y423-M427 VanDerWaalsContact O-N 3.13Å; Y423-M427 WeakPolarHBondContact OH-CE 3.41Å; Y423-L630 HydrophobicContact CD2-CD2 3.53Å; Y423-L630 HydrophobicContact CE2-CB 4.29Å; Y423-L630 HydrophobicContact CE2-CD2 3.67Å; Y423-L630 HydrophobicContact CG-CD2 4.42Å; Y423-R633 HydrophobicContact CD2-CB 3.98Å; Y423-R633 HydrophobicContact CE2-CB 4.41Å; Y423-T634 WeakPolarHBondContact CE2-OG1 3.04Å; Y423-T634 PolarHBondContact OH-OG1 3.47Å; Y423-F637 HydrophobicContact CD1-CE2 4.25Å; Y423-F637 HydrophobicContact CD2-CD2 4.49Å; Y423-F637 AromaticContact CD2-CE2 3.84Å; Y423-F637 HydrophobicContact CD2-CE2 3.84Å; Y423-F637 AromaticContact CG-CE2 3.67Å; Y423-F637 HydrophobicContact CG-CE2 3.67Å; Y423-F637 HydrophobicContact CG-CZ 4.49Å
424	V	95.6	Very high	92.6	Very high	88 Å²	88	44.5 Å²	44.5	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-43.7	176.4	174.4	0	0	0	0	110.8	L420 I421 S426 M427	L420-V424 WeakPolarHBondContact O-CG2 3.18Å; L420-V424 PolarHBondContact O-N 2.72Å; I421-V424 PolarHBondContact O-N 3.41Å; V424-S426 VanDerWaalsContact C-N 3.3Å; V424-S426 PolarHBondContact O-N 3.45Å; V424-M427 WeakPolarHBondContact O-CB 3.49Å; V424-M427 PolarHBondContact O-N 3.28Å
425	L	95.4	Very high	92.3	Very high	39 Å²	39	48 Å²	48	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-36.5	174.5	-69.4	174.7	0	0	0	112.2	I421 Y423 M427 L428 L540 I543 T544 I547	I421-L425 HydrophobicContact CG2-CD1 4.11Å; I421-L425 HydrophobicContact CG2-CG 4.41Å; I421-L425 WeakPolarHBondContact O-CG 3.26Å; I421-L425 PolarHBondContact O-N 2.9Å; Y423-L425 VanDerWaalsContact C-N 3.33Å; Y423-L425 PolarHBondContact O-N 3.3Å; L425-M427 PolarHBondContact O-N 2.88Å; L425-L428 HydrophobicContact CD2-CD1 4.21Å; L425-L428 WeakPolarHBondContact O-CB 3.39Å; L425-L428 PolarHBondContact O-N 3.41Å; L425-L428 VanDerWaalsContact O-N 3.14Å; L425-L540 HydrophobicContact CB-CD1 4.36Å; L425-L540 HydrophobicContact CD2-CD1 4.32Å; L425-I543 HydrophobicContact CD1-CG2 4.08Å; L425-T544 WeakPolarHBondContact CB-OG1 3.28Å; L425-I547 HydrophobicContact CD1-CG1 4.27Å
426	S	93.3	Very high	92	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.035	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-26.6	178.1	-59.7	0	0	0	0	112.7	G422 Y423 V424 L428 F429 T544	G422-S426 WeakPolarHBondContact O-CB 3.32Å; G422-S426 PolarHBondContact O-N 2.81Å; G422-S426 PolarHBondContact O-OG 3.06Å; Y423-S426 WeakPolarHBondContact O-CB 3.34Å; Y423-S426 PolarHBondContact O-N 3.22Å; Y423-S426 VanDerWaalsContact O-N 3.09Å; V424-S426 VanDerWaalsContact C-N 3.3Å; V424-S426 PolarHBondContact O-N 3.45Å; S426-L428 PolarHBondContact O-N 3.44Å; S426-F429 WeakPolarHBondContact O-CB 3.23Å; S426-F429 WeakPolarHBondContact O-CD2 3.38Å; S426-F429 PolarHBondContact O-N 3.03Å; S426-F429 VanDerWaalsContact O-N 3.13Å; S426-T544 WeakPolarHBondContact OG-CG2 3.38Å
427	M	94.1	Very high	91.7	Very high	70 Å²	70	46.8 Å²	46.8	35%	0.345	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-29.6	173.6	-72.2	-70.5	178.5	0	0	112.4	Y423 V424 L425 F429 F430 L630	Y423-M427 HydrophobicContact CE1-CE 3.95Å; Y423-M427 HydrophobicContact CE2-CE 3.75Å; Y423-M427 PolarHBondContact O-N 2.88Å; Y423-M427 VanDerWaalsContact O-N 3.13Å; Y423-M427 WeakPolarHBondContact OH-CE 3.41Å; V424-M427 WeakPolarHBondContact O-CB 3.49Å; V424-M427 PolarHBondContact O-N 3.28Å; L425-M427 PolarHBondContact O-N 2.88Å; M427-F429 PolarHBondContact O-N 3.47Å; M427-F430 PolarHBondContact O-N 3.5Å; M427-F430 VanDerWaalsContact O-N 3.15Å; M427-F430 HydrophobicContact SD-CD2 4.24Å; M427-F430 HydrophobicContact SD-CE2 4.02Å; M427-L630 HydrophobicContact CE-CB 4.19Å; M427-L630 HydrophobicContact CE-CD1 3.95Å; M427-L630 HydrophobicContact CE-CD2 4.15Å; M427-L630 HydrophobicContact CE-CG 4.34Å; M427-L630 HydrophobicContact SD-CD1 3.66Å
428	L	94.2	Very high	91.5	Very high	82 Å²	82	48.3 Å²	48.3	43%	0.429	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65.5	-17.8	176.4	-58.9	174.4	0	0	0	112.3	L425 S426 F430 T431 L540	L425-L428 HydrophobicContact CD2-CD1 4.21Å; L425-L428 WeakPolarHBondContact O-CB 3.39Å; L425-L428 PolarHBondContact O-N 3.41Å; L425-L428 VanDerWaalsContact O-N 3.14Å; S426-L428 PolarHBondContact O-N 3.44Å; L428-F430 PolarHBondContact O-N 2.94Å; L428-T431 PolarHBondContact O-N 3.39Å; L428-T431 PolarHBondContact O-OG1 2.9Å; L428-L540 HydrophobicContact CB-CD2 3.57Å; L428-L540 HydrophobicContact CD1-CD1 4.18Å
429	F	93	Very high	91.2	Very high	14 Å²	14	48 Å²	48	6%	0.061	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.5	-24.3	173.7	-64.5	-45.3	0	0	0	113	S426 M427 T431 M432 F537 L540 T544 L626	S426-F429 WeakPolarHBondContact O-CB 3.23Å; S426-F429 WeakPolarHBondContact O-CD2 3.38Å; S426-F429 PolarHBondContact O-N 3.03Å; S426-F429 VanDerWaalsContact O-N 3.13Å; M427-F429 PolarHBondContact O-N 3.47Å; F429-T431 VanDerWaalsContact C-N 3.29Å; F429-T431 PolarHBondContact O-N 3.03Å; F429-M432 PolarHBondContact O-N 3.38Å; F429-F537 AromaticContact CD1-CD2 3.65Å; F429-F537 HydrophobicContact CD1-CD2 3.65Å; F429-F537 AromaticContact CD1-CE2 3.68Å; F429-F537 HydrophobicContact CD1-CE2 3.68Å; F429-F537 HydrophobicContact CE1-CD2 4.05Å; F429-F537 AromaticContact CE1-CE2 3.99Å; F429-F537 HydrophobicContact CE1-CE2 3.99Å; F429-F537 HydrophobicContact CG-CE2 4.25Å; F429-L540 HydrophobicContact CD1-CD2 3.46Å; F429-L540 VanDerWaalsContact CD1-CD2 3.46Å; F429-L540 HydrophobicContact CD1-CG 4.04Å; F429-L540 HydrophobicContact CE1-CB 3.93Å; F429-L540 HydrophobicContact CE1-CD2 3.46Å; F429-L540 VanDerWaalsContact CE1-CD2 3.46Å; F429-L540 HydrophobicContact CE1-CG 3.47Å; F429-L540 VanDerWaalsContact CE1-CG 3.47Å; F429-L540 HydrophobicContact CG-CD2 4.32Å; F429-L540 HydrophobicContact CZ-CD2 4.31Å; F429-L540 HydrophobicContact CZ-CG 4.07Å; F429-T544 HydrophobicContact CE2-CG2 4.28Å; F429-T544 HydrophobicContact CZ-CG2 4.34Å; F429-L626 HydrophobicContact CB-CD1 3.59Å; F429-L626 HydrophobicContact CB-CD2 4.32Å; F429-L626 HydrophobicContact CD2-CD2 4.49Å
430	F	91.8	Very high	91	Very high	60 Å²	60	47.6 Å²	47.6	26%	0.263	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-69	-27.2	177.7	-76.7	-74.9	0	0	0	113.8	M427 L428 R622 L626 L630	M427-F430 PolarHBondContact O-N 3.5Å; M427-F430 VanDerWaalsContact O-N 3.15Å; M427-F430 HydrophobicContact SD-CD2 4.24Å; M427-F430 HydrophobicContact SD-CE2 4.02Å; L428-F430 PolarHBondContact O-N 2.94Å; F430-R622 PolarHBondContact O-NE 3.32Å; F430-L626 HydrophobicContact CD1-CD1 4.43Å; F430-L626 HydrophobicContact CE1-CB 3.91Å; F430-L626 HydrophobicContact CE2-CB 4.4Å; F430-L626 HydrophobicContact CZ-CB 3.85Å; F430-L630 HydrophobicContact CD2-CD1 4.06Å; F430-L630 HydrophobicContact CE2-CD1 3.21Å; F430-L630 HydrophobicContact CZ-CD1 3.92Å
431	T	90.1	Very high	90.4	Very high	95 Å²	95	44.6 Å²	44.6	58%	0.583	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-78.5	-16.3	177.6	69.9	0	0	0	0	111.7	L428 F429 S433	L428-T431 PolarHBondContact O-N 3.39Å; L428-T431 PolarHBondContact O-OG1 2.9Å; F429-T431 VanDerWaalsContact C-N 3.29Å; F429-T431 PolarHBondContact O-N 3.03Å; T431-S433 PolarHBondContact O-N 3.5Å
432	M	89.3	Confident	89.9	Confident	22 Å²	22	40.8 Å²	40.8	11%	0.108	22%	0.215	C	C	.	.			trans	-88.4	82.4	179	-59.7	-174	169.8	0	0	109.7	F429 M533 F537 L540	F429-M432 PolarHBondContact O-N 3.38Å; M432-M533 HydrophobicContact CB-CE 4.25Å; M432-M533 HydrophobicContact CG-CE 4.14Å; M432-F537 WeakPolarHBondContact SD-CA 3.48Å; M432-F537 HydrophobicContact SD-CB 3.76Å; M432-F537 HydrophobicContact SD-CD2 4.37Å; M432-F537 PolarHBondContact SD-N 2.82Å; M432-F537 VanDerWaalsContact SD-N 3.43Å; M432-L540 HydrophobicContact CE-CB 4.08Å; M432-L540 HydrophobicContact CE-CD2 3.68Å; M432-L540 HydrophobicContact SD-CB 4.47Å; M432-L540 HydrophobicContact SD-CD2 3.91Å
433	S	84.5	Confident	89.4	Confident	52 Å²	52	42.2 Å²	42.2	36%	0.364	22%	0.224	S	C	.	.			trans	-106.2	146.7	179.6	59.9	0	0	0	0	112.5	T431 R622	T431-S433 PolarHBondContact O-N 3.5Å; S433-R622 VanDerWaalsContact CB-CZ 3.48Å
434	C	86.9	Confident	88.9	Confident	7 Å²	7	40.7 Å²	40.7	5%	0.047	22%	0.219	C	C	.	.			trans	-114.5	150.1	158.8	-174	0	0	0	0	110.1	C530 T618	C434-C530 HydrophobicContact CB-CB 4.15Å; C434-C530 WeakPolarHBondContact CB-SG 3.44Å; C434-C530 VanDerWaalsContact SG-CA 3.51Å; C434-C530 WeakPolarHBondContact SG-CB 3.46Å; C434-C530 CovalentContact SG-SG 2.02Å; C434-C530 PolarHBondContact SG-SG 3.33Å; C434-T618 VanDerWaalsContact O-CG2 3.23Å; C434-T618 WeakPolarHBondContact O-CG2 3.48Å
435	E	85.8	Confident	88.3	Confident	114 Å²	114	37.6 Å²	37.6	53%	0.533	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-65	160.1	173.2	-63.6	-167.1	161.3	0	0	111.7	R372	R372-E435 PolarHBondContact NH2-O 3.07Å
436	N	85.8	Confident	87.5	Confident	46 Å²	46	36.7 Å²	36.7	25%	0.246	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-66.9	150.9	172.9	-75.3	-46.6	0	0	0	111.2	R372 K438 T443 T618	R372-N436 PolarHBondContact NH2-O 2.78Å; N436-K438 PolarHBondContact O-N 2.99Å; N436-T443 HydrophobicContact CB-CG2 4.16Å; N436-T618 WeakPolarHBondContact OD1-CA 3.08Å; N436-T618 WeakPolarHBondContact OD1-CB 3.49Å; N436-T618 PolarHBondContact OD1-N 2.87Å; N436-T618 PolarHBondContact OD1-OG1 3.24Å
437	A	85.3	Confident	86.3	Confident	7 Å²	7	42.6 Å²	42.6	6%	0.058	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-65.6	131.7	172	0	0	0	0	0	108.2	V439 T443 I615	A437-V439 HydrophobicContact CB-CG2 4.29Å; A437-V439 PolarHBondContact O-N 3.36Å; A437-V439 VanDerWaalsContact O-N 3.1Å; A437-T443 WeakPolarHBondContact O-CB 3.42Å; A437-T443 PolarHBondContact O-OG1 2.9Å; A437-I615 HydrophobicContact CB-CD1 4.08Å
438	K	88.3	Confident	84.8	Confident	95 Å²	95	43.7 Å²	43.7	41%	0.413	23%	0.234	S	C	.	.			trans	-74.2	100.3	180	-63	-174.1	-178.7	-175.7	0	109	N436 V444 T484	N436-K438 PolarHBondContact O-N 2.99Å; K438-V444 HydrophobicContact CB-CG1 4.23Å; K438-V444 HydrophobicContact CB-CG2 4.12Å; K438-V444 HydrophobicContact CG-CG1 4.15Å; K438-T484 VanDerWaalsContact O-CB 3.29Å; K438-T484 WeakPolarHBondContact O-CB 3.48Å; K438-T484 PolarHBondContact O-N 3.1Å; K438-T484 PolarHBondContact O-OG1 3.4Å
439	V	89.3	Confident	83.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-122.7	118.2	-178.7	-176.5	0	0	0	0	109	A437 G441 V442 T443 V444 T484 V486 I615	A437-V439 HydrophobicContact CB-CG2 4.29Å; A437-V439 PolarHBondContact O-N 3.36Å; A437-V439 VanDerWaalsContact O-N 3.1Å; V439-G441 PolarHBondContact O-N 2.56Å; V439-V442 HydrophobicContact CB-CB 4.09Å; V439-V442 HydrophobicContact CG1-CB 3.9Å; V439-V442 HydrophobicContact CG1-CG2 3.8Å; V439-V442 PolarHBondContact O-N 3.26Å; V439-V442 VanDerWaalsContact O-N 3.14Å; V439-T443 PolarHBondContact N-OG1 3.18Å; V439-T443 PolarHBondContact O-N 3.04Å; V439-T443 PolarHBondContact O-OG1 2.71Å; V439-V444 PolarHBondContact O-N 3.06Å; V439-V444 VanDerWaalsContact O-N 3.12Å; V439-T484 CarbonylContact C-O 3.18Å; V439-T484 VanDerWaalsContact CA-O 3.22Å; V439-T484 WeakPolarHBondContact CA-O 3.38Å; V439-T484 HydrophobicContact CG2-CG2 4.36Å; V439-V486 HydrophobicContact CG1-CG2 3.85Å; V439-I615 HydrophobicContact CG2-CD1 3.65Å
440	A	87.5	Confident	81.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-58.7	127.4	-178.9	0	0	0	0	0	111.4	V442 V444 Y446 I483 T484 Y485	A440-V442 PolarHBondContact O-N 2.71Å; A440-V444 CarbonylContact C-O 3.51Å; A440-V444 VanDerWaalsContact CA-O 3.31Å; A440-V444 WeakPolarHBondContact CA-O 3.18Å; A440-Y446 HydrophobicContact CB-CD1 4.25Å; A440-Y446 HydrophobicContact CB-CD2 4.02Å; A440-Y446 HydrophobicContact CB-CE1 4.11Å; A440-Y446 HydrophobicContact CB-CE2 3.89Å; A440-Y446 HydrophobicContact CB-CG 4.2Å; A440-I483 HydrophobicContact CB-CG2 3.97Å; A440-T484 PolarHBondContact N-O 3.49Å; A440-Y485 HydrophobicContact CB-CD1 3.7Å; A440-Y485 HydrophobicContact CB-CE1 3.76Å; A440-Y485 HydrophobicContact CB-CG 4.35Å
441	G	83.6	Confident	79.2	Confident	5 Å²	5	51.4 Å²	51.4	5%	0.052	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	12	-179.7	0	0	0	0	0	114.6	V439 V444 S458 L459	V439-G441 PolarHBondContact O-N 2.56Å; G441-V444 PolarHBondContact N-O 3.39Å; G441-S458 VanDerWaalsContact CA-O 3.25Å; G441-S458 WeakPolarHBondContact CA-O 3.5Å; G441-S458 PolarHBondContact O-OG 2.9Å; G441-L459 WeakPolarHBondContact O-CD2 3.2Å
442	V	85	Confident	77.6	Confident	13 Å²	13	48.8 Å²	48.8	8%	0.079	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-50.4	174.5	-176.5	0	0	0	0	111.1	V439 A440 L459 V486 L600 I615	V439-V442 HydrophobicContact CB-CB 4.09Å; V439-V442 HydrophobicContact CG1-CB 3.9Å; V439-V442 HydrophobicContact CG1-CG2 3.8Å; V439-V442 PolarHBondContact O-N 3.26Å; V439-V442 VanDerWaalsContact O-N 3.14Å; A440-V442 PolarHBondContact O-N 2.71Å; V442-L459 HydrophobicContact CG2-CD2 3.86Å; V442-V486 HydrophobicContact CG2-CG2 3.86Å; V442-L600 HydrophobicContact CG1-CB 3.94Å; V442-L600 HydrophobicContact CG1-CD1 4.36Å; V442-I615 HydrophobicContact CG1-CG2 4.14Å
443	T	85.1	Confident	75.7	Confident	29 Å²	29	52.3 Å²	52.3	18%	0.178	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-26.8	-179.5	56.1	0	0	0	0	113.1	N436 A437 V439 L600	N436-T443 HydrophobicContact CB-CG2 4.16Å; A437-T443 WeakPolarHBondContact O-CB 3.42Å; A437-T443 PolarHBondContact O-OG1 2.9Å; V439-T443 PolarHBondContact N-OG1 3.18Å; V439-T443 PolarHBondContact O-N 3.04Å; V439-T443 PolarHBondContact O-OG1 2.71Å; T443-L600 HydrophobicContact CG2-CD1 3.68Å
444	V	83.9	Confident	74.2	Confident	11 Å²	11	57.7 Å²	57.7	7%	0.067	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-132.8	145.4	174.7	-62.2	0	0	0	0	110.2	K438 V439 A440 G441 I452 I483	K438-V444 HydrophobicContact CB-CG1 4.23Å; K438-V444 HydrophobicContact CB-CG2 4.12Å; K438-V444 HydrophobicContact CG-CG1 4.15Å; V439-V444 PolarHBondContact O-N 3.06Å; V439-V444 VanDerWaalsContact O-N 3.12Å; A440-V444 CarbonylContact C-O 3.51Å; A440-V444 VanDerWaalsContact CA-O 3.31Å; A440-V444 WeakPolarHBondContact CA-O 3.18Å; G441-V444 PolarHBondContact N-O 3.39Å; V444-I452 WeakPolarHBondContact O-CD1 3.48Å; V444-I483 HydrophobicContact CG2-CG2 3.98Å
445	S	82.1	Confident	72.8	Confident	23 Å²	23	61.1 Å²	61.1	16%	0.161	33%	0.329	C	S	.	.			trans	-69.5	158.8	174.8	66.6	0	0	0	0	110.6	N447 N448 V449 I452	S445-N447 PolarHBondContact O-N 3.47Å; S445-N447 VanDerWaalsContact O-N 3.11Å; S445-N448 PolarHBondContact O-N 3.42Å; S445-V449 WeakPolarHBondContact CB-O 3.49Å; S445-V449 PolarHBondContact N-O 3.09Å; S445-V449 WeakPolarHBondContact OG-CA 3.41Å; S445-V449 PolarHBondContact OG-N 3.36Å; S445-V449 PolarHBondContact OG-O 2.94Å; S445-I452 VanDerWaalsContact N-CD1 3.29Å
446	Y	77.8	Confident	71.6	Confident	20 Å²	20	63.1 Å²	63.1	8%	0.078	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.1	177.1	-82	-106.8	0	0	0	112.9	A440 L459 M461 N464 Y485 L490 C510	A440-Y446 HydrophobicContact CB-CD1 4.25Å; A440-Y446 HydrophobicContact CB-CD2 4.02Å; A440-Y446 HydrophobicContact CB-CE1 4.11Å; A440-Y446 HydrophobicContact CB-CE2 3.89Å; A440-Y446 HydrophobicContact CB-CG 4.2Å; Y446-L459 PolarHBondContact OH-O 2.95Å; Y446-M461 HydrophobicContact CD1-CG 4.44Å; Y446-M461 HydrophobicContact CD2-CG 3.66Å; Y446-M461 HydrophobicContact CE2-CG 4.1Å; Y446-M461 HydrophobicContact CG-CG 3.85Å; Y446-N464 PolarHBondContact OH-ND2 3.4Å; Y446-N464 VanDerWaalsContact OH-ND2 3.16Å; Y446-Y485 HydrophobicContact CD1-CD1 4.35Å; Y446-Y485 AromaticContact CD1-CE1 3.72Å; Y446-Y485 HydrophobicContact CD1-CE1 3.72Å; Y446-Y485 AromaticContact CE1-CD1 3.7Å; Y446-Y485 HydrophobicContact CE1-CD1 3.7Å; Y446-Y485 AromaticContact CE1-CE1 3.52Å; Y446-Y485 HydrophobicContact CE1-CE1 3.52Å; Y446-L490 PolarHBondContact OH-O 3.07Å; Y446-C510 HydrophobicContact CD1-CB 3.88Å; Y446-C510 HydrophobicContact CE1-CB 3.74Å
447	N	69.6	Low	70.5	Confident	129 Å²	129	66.3 Å²	66.3	69%	0.69	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	16.7	178.9	-67.5	-12.4	0	0	0	113.8	S445 V449	S445-N447 PolarHBondContact O-N 3.47Å; S445-N447 VanDerWaalsContact O-N 3.11Å; N447-V449 HydrophobicContact CB-CG2 4.46Å; N447-V449 PolarHBondContact O-N 3.16Å
448	N	62.8	Low	70	Confident	94 Å²	94	67.5 Å²	67.5	50%	0.503	36%	0.361	S	S	.	.	S	Bend	trans	60.4	22.2	-179.1	-91.1	-25.8	0	0	0	115.5	S445 I483	S445-N448 PolarHBondContact O-N 3.42Å; N448-I483 WeakPolarHBondContact OD1-CD1 3.32Å
449	V	58.4	Low	69.6	Low	81 Å²	81	63.4 Å²	63.4	49%	0.491	34%	0.343	S	S	.	.			trans	-91.8	128.4	170.4	-166.9	0	0	0	0	108.9	S445 N447 S451	S445-V449 WeakPolarHBondContact CB-O 3.49Å; S445-V449 PolarHBondContact N-O 3.09Å; S445-V449 WeakPolarHBondContact OG-CA 3.41Å; S445-V449 PolarHBondContact OG-N 3.36Å; S445-V449 PolarHBondContact OG-O 2.94Å; N447-V449 HydrophobicContact CB-CG2 4.46Å; N447-V449 PolarHBondContact O-N 3.16Å; V449-S451 PolarHBondContact O-N 2.96Å
450	D	56	Low	69.4	Low	150 Å²	150	67.1 Å²	67.1	80%	0.802	36%	0.36	S	S	*	.	S	Bend	trans	-67.6	11.5	-175.1	-69.8	-37.6	0	0	0	115.2
451	S	47.2	Very low	69.1	Low	86 Å²	86	70.3 Å²	70.3	60%	0.601	38%	0.375	S	S	*	.			trans	-97.9	100.1	-179.3	60.8	0	0	0	0	111.1	V449	V449-S451 PolarHBondContact O-N 2.96Å
452	I	55.9	Low	69	Low	41 Å²	41	75 Å²	75	21%	0.21	41%	0.405	C	S	.	.			trans	-128.4	127.7	162.8	-63.9	171.9	0	0	0	110.3	V444 S445	V444-I452 WeakPolarHBondContact O-CD1 3.48Å; S445-I452 VanDerWaalsContact N-CD1 3.29Å
453	S	48.4	Very low	69	Low	96 Å²	96	76.4 Å²	76.4	67%	0.671	41%	0.414	S	S	*	.			trans	-82.4	132.9	153.4	69.3	0	0	0	0	108.1	D455	S453-D455 PolarHBondContact O-N 2.95Å
454	Y	53.9	Low	69.1	Low	165 Å²	165	75 Å²	75	65%	0.647	41%	0.406	S	S	*	.			trans	-67.3	61.6	-173.2	-59.6	-80.6	0	0	0	113.6	L600 N617	Y454-L600 HydrophobicContact CD1-CD2 3.85Å; Y454-L600 HydrophobicContact CE1-CD2 3.34Å; Y454-N617 PolarHBondContact OH-ND2 3.42Å; Y454-N617 VanDerWaalsContact OH-ND2 3.13Å
455	D	57.6	Low	69	Low	79 Å²	79	77.7 Å²	77.7	42%	0.422	43%	0.425	S	S	.	.			trans	-104.7	140.1	178.1	-168.9	10.2	0	0	0	110.5	S453 N457 S458	S453-D455 PolarHBondContact O-N 2.95Å; D455-N457 PolarHBondContact O-N 3.18Å; D455-N457 VanDerWaalsContact O-N 3.13Å; D455-N457 WeakPolarHBondContact OD2-CB 3.31Å; D455-N457 PolarHBondContact OD2-ND2 2.8Å; D455-S458 WeakPolarHBondContact O-CB 3.31Å; D455-S458 PolarHBondContact O-N 2.96Å; D455-S458 PolarHBondContact O-OG 3.4Å
456	K	59.5	Low	68.9	Low	155 Å²	155	82.2 Å²	82.2	67%	0.674	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-59	-25.5	176.8	-71.1	-178	179.2	179.6	0	112	S458 L459	K456-S458 PolarHBondContact O-N 2.93Å; K456-L459 PolarHBondContact O-N 2.92Å
457	N	63.5	Low	68.9	Low	113 Å²	113	81.5 Å²	81.5	60%	0.604	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19.2	176.2	-67.8	-14.8	0	0	0	113.3	D455 L459 F460	D455-N457 PolarHBondContact O-N 3.18Å; D455-N457 VanDerWaalsContact O-N 3.13Å; D455-N457 WeakPolarHBondContact OD2-CB 3.31Å; D455-N457 PolarHBondContact OD2-ND2 2.8Å; N457-L459 PolarHBondContact O-N 2.97Å; N457-F460 PolarHBondContact O-N 3.18Å
458	S	74.8	Confident	69.5	Low	33 Å²	33	83.3 Å²	83.3	23%	0.231	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-72.3	-10.6	178.7	66.3	0	0	0	0	114.3	G441 D455 K456	G441-S458 VanDerWaalsContact CA-O 3.25Å; G441-S458 WeakPolarHBondContact CA-O 3.5Å; G441-S458 PolarHBondContact O-OG 2.9Å; D455-S458 WeakPolarHBondContact O-CB 3.31Å; D455-S458 PolarHBondContact O-N 2.96Å; D455-S458 PolarHBondContact O-OG 3.4Å; K456-S458 PolarHBondContact O-N 2.93Å
459	L	80.8	Confident	70.5	Confident	8 Å²	8	79.4 Å²	79.4	4%	0.042	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-79	-24.1	173.5	-68.8	171.7	0	0	0	112.9	G441 V442 Y446 K456 N457 N464 V486	G441-L459 WeakPolarHBondContact O-CD2 3.2Å; V442-L459 HydrophobicContact CG2-CD2 3.86Å; Y446-L459 PolarHBondContact OH-O 2.95Å; K456-L459 PolarHBondContact O-N 2.92Å; N457-L459 PolarHBondContact O-N 2.97Å; L459-N464 PolarHBondContact O-ND2 3.12Å; L459-V486 HydrophobicContact CD2-CG2 3.8Å
460	F	83.3	Confident	71.7	Confident	79 Å²	79	78 Å²	78	35%	0.346	42%	0.422	S	S	.	.			trans	-100.7	127.3	-176.2	-61	-74.4	0	0	0	110.4	N457 N464 C469 L490	N457-F460 PolarHBondContact O-N 3.18Å; F460-N464 WeakPolarHBondContact CA-OD1 3.29Å; F460-C469 WeakPolarHBondContact CE1-O 3.4Å; F460-L490 HydrophobicContact CD1-CD2 4.35Å; F460-L490 HydrophobicContact CE1-CD2 4.24Å
461	M	81.5	Confident	72.8	Confident	66 Å²	66	72.8 Å²	72.8	33%	0.325	40%	0.396	S	S	.	.			trans	-137.6	161.8	-179.1	-75.9	-64.2	-70.2	0	0	109.3	Y446 C463 N464 S465	Y446-M461 HydrophobicContact CD1-CG 4.44Å; Y446-M461 HydrophobicContact CD2-CG 3.66Å; Y446-M461 HydrophobicContact CE2-CG 4.1Å; Y446-M461 HydrophobicContact CG-CG 3.85Å; M461-C463 PolarHBondContact O-N 3.37Å; M461-N464 PolarHBondContact N-OD1 2.94Å; M461-N464 PolarHBondContact O-N 3.27Å; M461-N464 PolarHBondContact O-OD1 3.21Å; M461-S465 PolarHBondContact O-N 3.02Å
462	P	83	Confident	74.2	Confident	105 Å²	105	70.3 Å²	70.3	68%	0.682	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.7	178.8	-26.2	35.2	0	0	0	114.4	N464 S465	P462-N464 VanDerWaalsContact C-N 3.35Å; P462-S465 PolarHBondContact O-OG 3.37Å
463	C	84.8	Confident	75.5	Confident	41 Å²	41	70.3 Å²	70.3	28%	0.277	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.5	177.2	63.6	0	0	0	0	113.3	M461 S509 C510	M461-C463 PolarHBondContact O-N 3.37Å; C463-S509 PolarHBondContact O-OG 2.93Å; C463-C510 HydrophobicContact CB-CB 4.01Å; C463-C510 WeakPolarHBondContact CB-SG 3.38Å; C463-C510 VanDerWaalsContact SG-CA 3.54Å; C463-C510 WeakPolarHBondContact SG-CB 3.39Å; C463-C510 CovalentContact SG-SG 2.03Å; C463-C510 PolarHBondContact SG-SG 2.94Å
464	N	86.9	Confident	77.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	5.9	179.7	66.1	21.9	0	0	0	113.2	Y446 L459 F460 M461 P462 D466 C467 L490	Y446-N464 PolarHBondContact OH-ND2 3.4Å; Y446-N464 VanDerWaalsContact OH-ND2 3.16Å; L459-N464 PolarHBondContact O-ND2 3.12Å; F460-N464 WeakPolarHBondContact CA-OD1 3.29Å; M461-N464 PolarHBondContact N-OD1 2.94Å; M461-N464 PolarHBondContact O-N 3.27Å; M461-N464 PolarHBondContact O-OD1 3.21Å; P462-N464 VanDerWaalsContact C-N 3.35Å; N464-D466 PolarHBondContact O-N 3.01Å; N464-C467 WeakPolarHBondContact O-CB 3.4Å; N464-C467 PolarHBondContact O-N 3.3Å; N464-C467 VanDerWaalsContact O-N 3.1Å; N464-L490 PolarHBondContact ND2-O 3.15Å
465	S	82	Confident	79.1	Confident	67 Å²	67	58 Å²	58	47%	0.469	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.3	178.9	53.3	0	0	0	0	113	M461 P462 C467	M461-S465 PolarHBondContact O-N 3.02Å; P462-S465 PolarHBondContact O-OG 3.37Å; S465-C467 PolarHBondContact O-N 2.95Å
466	D	80.3	Confident	80.7	Confident	118 Å²	118	54.2 Å²	54.2	63%	0.631	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.2	179.5	-56.9	-15.2	0	0	0	111.8	N464	N464-D466 PolarHBondContact O-N 3.01Å
467	C	76.7	Confident	82.2	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.041	26%	0.264	C	S	.	.	S	Bend	trans	-106	113.7	174.6	-48.1	0	0	0	0	107.2	C144 N464 S465 C469	C144-C467 HydrophobicContact CB-CB 3.81Å; C144-C467 WeakPolarHBondContact CB-SG 3.26Å; C144-C467 VanDerWaalsContact SG-CA 3.58Å; C144-C467 WeakPolarHBondContact SG-CB 3.42Å; C144-C467 CovalentContact SG-SG 2.02Å; C144-C467 PolarHBondContact SG-SG 3.04Å; N464-C467 WeakPolarHBondContact O-CB 3.4Å; N464-C467 PolarHBondContact O-N 3.3Å; N464-C467 VanDerWaalsContact O-N 3.1Å; S465-C467 PolarHBondContact O-N 2.95Å; C467-C469 WeakPolarHBondContact CB-SG 3.49Å; C467-C469 PolarHBondContact O-N 3.22Å; C467-C469 PolarHBondContact O-SG 3.18Å; C467-C469 VanDerWaalsContact O-SG 3.41Å
468	F	83.1	Confident	83.5	Confident	167 Å²	167	43 Å²	43	73%	0.732	25%	0.246	S	C	*	.			trans	-69.2	60.5	176	-66.2	-84.2	0	0	0	112.1
469	C	84.1	Confident	84.3	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.081	24%	0.236	C	C	.	.			trans	-75.6	143.1	-171.1	-56.7	0	0	0	0	112.1	F460 C467 C489 L490	F460-C469 WeakPolarHBondContact CE1-O 3.4Å; C467-C469 WeakPolarHBondContact CB-SG 3.49Å; C467-C469 PolarHBondContact O-N 3.22Å; C467-C469 PolarHBondContact O-SG 3.18Å; C467-C469 VanDerWaalsContact O-SG 3.41Å; C469-C489 WeakPolarHBondContact CA-SG 3.29Å; C469-C489 HydrophobicContact CB-CB 3.95Å; C469-C489 WeakPolarHBondContact CB-SG 3.41Å; C469-C489 WeakPolarHBondContact SG-CB 3.33Å; C469-C489 PolarHBondContact SG-O 2.91Å; C469-C489 CovalentContact SG-SG 2.04Å; C469-C489 PolarHBondContact SG-SG 3.39Å; C469-L490 HydrophobicContact CB-CD2 3.73Å; C469-L490 HydrophobicContact CB-CG 4Å
470	S	82.9	Confident	84.6	Confident	52 Å²	52	47.3 Å²	47.3	36%	0.364	26%	0.262	S	S	.	.			trans	-74.9	132.3	170	-176.5	0	0	0	0	110.9	S472	S470-S472 PolarHBondContact O-N 3.25Å; S470-S472 PolarHBondContact OG-N 3.11Å; S470-S472 VanDerWaalsContact OG-N 3.07Å; S470-S472 PolarHBondContact OG-OG 3.27Å
471	S	79.4	Confident	84.7	Confident	39 Å²	39	46.5 Å²	46.5	27%	0.273	26%	0.262	S	S	.	.	S	Bend	trans	-73	-13	168.9	67	0	0	0	0	112.8	K601	S471-K601 PolarHBondContact O-NZ 2.69Å
472	S	77	Confident	84.9	Confident	35 Å²	35	44.2 Å²	44.2	25%	0.245	26%	0.255	C	S	.	.	S	Bend	trans	-90.8	-20.5	-177.1	64	0	0	0	0	114.1	S470	S470-S472 PolarHBondContact O-N 3.25Å; S470-S472 PolarHBondContact OG-N 3.11Å; S470-S472 VanDerWaalsContact OG-N 3.07Å; S470-S472 PolarHBondContact OG-OG 3.27Å
473	E	82.1	Confident	85.2	Confident	40 Å²	40	39.3 Å²	39.3	19%	0.187	22%	0.223	C	C	.	.			trans	-67.1	146.2	-175.4	-170.2	178.2	-162.1	0	0	112	E128 V486	E128-E473 WeakPolarHBondContact OE2-CA 3.44Å; E473-V486 WeakPolarHBondContact O-CG1 3.44Å
474	W	87.3	Confident	85.5	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.008	21%	0.211	C	C	.	.			trans	-132.9	92.9	173	-174.9	-95.1	0	0	0	110.4	E128 R255 P476 V486 K601 R614 I615	E128-W474 PolarHBondContact OE2-N 3.3Å; R255-W474 WeakPolarHBondContact CD-O 3.41Å; W474-P476 HydrophobicContact CZ2-CG 4.49Å; W474-V486 HydrophobicContact CE3-CG1 3.98Å; W474-V486 HydrophobicContact CE3-CG2 4.45Å; W474-V486 HydrophobicContact CZ3-CG1 4.45Å; W474-V486 HydrophobicContact CZ3-CG2 4.09Å; W474-K601 HydrophobicContact CE3-CG 3.77Å; W474-K601 HydrophobicContact CZ3-CB 4.22Å; W474-K601 HydrophobicContact CZ3-CG 3.89Å; W474-R614 HydrophobicContact CB-CG 4.14Å; W474-R614 HydrophobicContact CD2-CB 3.67Å; W474-R614 HydrophobicContact CD2-CG 3.98Å; W474-R614 HydrophobicContact CE3-CB 4.12Å; W474-R614 HydrophobicContact CG-CB 3.97Å; W474-R614 HydrophobicContact CG-CG 3.76Å; W474-R614 HydrophobicContact CH2-CB 4.43Å; W474-R614 HydrophobicContact CZ2-CB 4.01Å; W474-R614 HydrophobicContact CZ3-CB 4.49Å; W474-I615 HydrophobicContact CH2-CB 3.99Å; W474-I615 HydrophobicContact CH2-CD1 4.47Å; W474-I615 HydrophobicContact CH2-CG2 3.94Å; W474-I615 HydrophobicContact CZ2-CB 4.41Å; W474-I615 HydrophobicContact CZ3-CG2 4.33Å
475	D	90	Very high	85.7	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.211	C	C	.	.			trans	-131.2	71.2	172.9	-174.9	13.1	0	0	0	110.1	T129 S130 R255 V477 V486 S487 P488	T129-D475 WeakPolarHBondContact CA-OD2 3.35Å; S130-D475 WeakPolarHBondContact CB-OD2 3.48Å; S130-D475 PolarHBondContact N-OD2 3.38Å; S130-D475 PolarHBondContact OG-OD2 2.71Å; R255-D475 IonicContact CZ-OD1 3.09Å; R255-D475 VanDerWaalsContact CZ-OD1 3.27Å; R255-D475 VanDerWaalsContact NH1-CG 3.28Å; R255-D475 IonicContact NH1-OD1 3.2Å; R255-D475 PolarHBondContact NH1-OD1 3.38Å; R255-D475 IonicContact NH2-OD1 3.58Å; R255-D475 PolarHBondContact NH2-OD1 3.38Å; D475-V477 PolarHBondContact O-N 3.48Å; D475-V486 CarbonylContact C-O 3.56Å; D475-V486 PolarHBondContact N-O 3.32Å; D475-S487 VanDerWaalsContact O-CA 3.32Å; D475-S487 WeakPolarHBondContact O-CA 3.32Å; D475-P488 WeakPolarHBondContact O-CD 3.25Å
476	P	91.8	Very high	86.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.			trans	-62	138.5	-165.9	22.9	-35	0	0	0	112.9	W474 T484 Y485 G522 Q523	W474-P476 HydrophobicContact CZ2-CG 4.49Å; P476-T484 HydrophobicContact CB-CG2 3.83Å; P476-Y485 WeakPolarHBondContact CA-O 3.4Å; P476-G522 CarbonylContact O-C 3.45Å; P476-G522 VanDerWaalsContact O-CA 3.25Å; P476-G522 WeakPolarHBondContact O-CA 3.43Å; P476-G522 PolarHBondContact O-N 2.93Å; P476-Q523 HydrophobicContact CB-CG 3.93Å; P476-Q523 HydrophobicContact CG-CG 4.07Å
477	V	91.3	Very high	86.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.9	171.8	-69.1	0	0	0	0	111.6	D475 T484 Y485 P488 A491 F505 A519 G520 G522	D475-V477 PolarHBondContact O-N 3.48Å; V477-T484 CarbonylContact O-C 3.57Å; V477-T484 WeakPolarHBondContact O-CA 3.39Å; V477-Y485 PolarHBondContact N-O 2.95Å; V477-Y485 PolarHBondContact O-N 3.33Å; V477-P488 HydrophobicContact CG1-CB 4.46Å; V477-P488 HydrophobicContact CG1-CG 3.65Å; V477-P488 HydrophobicContact CG2-CG 4.45Å; V477-A491 HydrophobicContact CG2-CB 4.12Å; V477-F505 HydrophobicContact CG1-CD2 3.71Å; V477-F505 HydrophobicContact CG1-CE2 3.62Å; V477-A519 HydrophobicContact CB-CB 4.02Å; V477-A519 HydrophobicContact CG2-CB 4.04Å; V477-G520 CarbonylContact C-O 3.51Å; V477-G520 VanDerWaalsContact CA-O 3.25Å; V477-G520 WeakPolarHBondContact CA-O 3.49Å; V477-G520 WeakPolarHBondContact CB-O 3.2Å; V477-G522 CarbonylContact C-O 3.57Å; V477-G522 VanDerWaalsContact CA-O 3.3Å; V477-G522 WeakPolarHBondContact CA-O 3.46Å
478	C	91.4	Very high	87.2	Confident	33 Å²	33	28.4 Å²	28.4	22%	0.223	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.7	177.2	-178.4	0	0	0	0	109.6	A519 G520 G522 C524	C478-A519 CarbonylContact O-C 3.47Å; C478-A519 WeakPolarHBondContact O-CA 3.25Å; C478-G520 PolarHBondContact N-O 3.28Å; C478-G520 PolarHBondContact O-N 3.28Å; C478-G522 PolarHBondContact N-O 2.79Å; C478-C524 WeakPolarHBondContact CA-SG 3.5Å; C478-C524 HydrophobicContact CB-CB 4.02Å; C478-C524 WeakPolarHBondContact CB-SG 3.22Å; C478-C524 WeakPolarHBondContact SG-CA 3.37Å; C478-C524 WeakPolarHBondContact SG-CB 3.35Å; C478-C524 CovalentContact SG-SG 2.04Å; C478-C524 PolarHBondContact SG-SG 3.14Å
479	G	90.4	Very high	87.5	Confident	3 Å²	3	21 Å²	21	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	153.4	171.4	0	0	0	0	0	111.4	N481 G482 I483	G479-N481 PolarHBondContact O-N 3.04Å; G479-N481 VanDerWaalsContact O-N 3.11Å; G479-G482 PolarHBondContact O-N 3.24Å; G479-I483 PolarHBondContact N-O 2.95Å
480	Q	87.3	Confident	87.8	Confident	127 Å²	127	20.4 Å²	20.4	59%	0.593	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	173.8	-75.1	-168.8	-8.8	0	0	113.6	G482 N516 T518	Q480-G482 PolarHBondContact O-N 3.13Å; Q480-N516 PolarHBondContact OE1-O 3.4Å; Q480-T518 WeakPolarHBondContact CG-OG1 3.19Å; Q480-T518 PolarHBondContact N-O 2.78Å; Q480-T518 PolarHBondContact NE2-OG1 3.29Å
481	N	84.9	Confident	88.1	Confident	62 Å²	62	17.9 Å²	17.9	33%	0.332	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.7	172.2	66.3	-8.6	0	0	0	114.1	G479 I483 Y485 V511	G479-N481 PolarHBondContact O-N 3.04Å; G479-N481 VanDerWaalsContact O-N 3.11Å; N481-I483 VanDerWaalsContact C-N 3.3Å; N481-I483 PolarHBondContact O-N 3.46Å; N481-I483 PolarHBondContact OD1-N 3.2Å; N481-I483 VanDerWaalsContact OD1-N 3.14Å; N481-Y485 PolarHBondContact ND2-OH 3.24Å; N481-V511 PolarHBondContact ND2-O 3.09Å
482	G	87.2	Confident	88.5	Confident	18 Å²	18	16.1 Å²	16.1	19%	0.186	9%	0.092	C	C	.	.	S	Bend	trans	77.8	11.5	179.4	0	0	0	0	0	114.5	G479 Q480 N526	G479-G482 PolarHBondContact O-N 3.24Å; Q480-G482 PolarHBondContact O-N 3.13Å; G482-N526 PolarHBondContact O-ND2 3.28Å
483	I	88.6	Confident	89.1	Confident	3 Å²	3	14.5 Å²	14.5	2%	0.015	8%	0.08	C	C	.	.			trans	-102.5	137.7	175.7	-53.9	176.3	0	0	0	109.4	A440 V444 N448 G479 N481 Y485 C524	A440-I483 HydrophobicContact CB-CG2 3.97Å; V444-I483 HydrophobicContact CG2-CG2 3.98Å; N448-I483 WeakPolarHBondContact OD1-CD1 3.32Å; G479-I483 PolarHBondContact N-O 2.95Å; N481-I483 VanDerWaalsContact C-N 3.3Å; N481-I483 PolarHBondContact O-N 3.46Å; N481-I483 PolarHBondContact OD1-N 3.2Å; N481-I483 VanDerWaalsContact OD1-N 3.14Å; I483-Y485 HydrophobicContact CB-CE2 4.12Å; I483-Y485 HydrophobicContact CG2-CE2 4.3Å; I483-Y485 WeakPolarHBondContact O-CD2 3.02Å; I483-Y485 WeakPolarHBondContact O-CE2 3.4Å; I483-C524 PolarHBondContact O-SG 3.36Å; I483-C524 VanDerWaalsContact O-SG 3.41Å
484	T	91.6	Very high	89.2	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.3	173.1	-55.1	0	0	0	0	109.9	K438 V439 A440 P476 V477 Q523 C524	K438-T484 VanDerWaalsContact O-CB 3.29Å; K438-T484 WeakPolarHBondContact O-CB 3.48Å; K438-T484 PolarHBondContact O-N 3.1Å; K438-T484 PolarHBondContact O-OG1 3.4Å; V439-T484 CarbonylContact C-O 3.18Å; V439-T484 VanDerWaalsContact CA-O 3.22Å; V439-T484 WeakPolarHBondContact CA-O 3.38Å; V439-T484 HydrophobicContact CG2-CG2 4.36Å; A440-T484 PolarHBondContact N-O 3.49Å; P476-T484 HydrophobicContact CB-CG2 3.83Å; V477-T484 CarbonylContact O-C 3.57Å; V477-T484 WeakPolarHBondContact O-CA 3.39Å; T484-Q523 HydrophobicContact CG2-CB 4.17Å; T484-Q523 HydrophobicContact CG2-CG 4.04Å; T484-C524 PolarHBondContact OG1-N 2.99Å
485	Y	90.8	Very high	89.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.4	173.1	-63.4	-99	0	0	0	109.1	A440 Y446 P476 V477 N481 I483 S487 A491 C510 V511	A440-Y485 HydrophobicContact CB-CD1 3.7Å; A440-Y485 HydrophobicContact CB-CE1 3.76Å; A440-Y485 HydrophobicContact CB-CG 4.35Å; Y446-Y485 HydrophobicContact CD1-CD1 4.35Å; Y446-Y485 AromaticContact CD1-CE1 3.72Å; Y446-Y485 HydrophobicContact CD1-CE1 3.72Å; Y446-Y485 AromaticContact CE1-CD1 3.7Å; Y446-Y485 HydrophobicContact CE1-CD1 3.7Å; Y446-Y485 AromaticContact CE1-CE1 3.52Å; Y446-Y485 HydrophobicContact CE1-CE1 3.52Å; P476-Y485 WeakPolarHBondContact CA-O 3.4Å; V477-Y485 PolarHBondContact N-O 2.95Å; V477-Y485 PolarHBondContact O-N 3.33Å; N481-Y485 PolarHBondContact ND2-OH 3.24Å; I483-Y485 HydrophobicContact CB-CE2 4.12Å; I483-Y485 HydrophobicContact CG2-CE2 4.3Å; I483-Y485 WeakPolarHBondContact O-CD2 3.02Å; I483-Y485 WeakPolarHBondContact O-CE2 3.4Å; Y485-S487 VanDerWaalsContact C-N 3.33Å; Y485-S487 PolarHBondContact O-N 3.18Å; Y485-A491 HydrophobicContact CD1-CB 4.01Å; Y485-A491 HydrophobicContact CD2-CB 4.26Å; Y485-A491 HydrophobicContact CG-CB 3.74Å; Y485-C510 HydrophobicContact CE1-CB 3.93Å; Y485-C510 PolarHBondContact OH-O 3.44Å; Y485-V511 HydrophobicContact CD2-CG2 4.36Å; Y485-V511 HydrophobicContact CE2-CG2 3.86Å; Y485-V511 WeakPolarHBondContact OH-CA 3.44Å
486	V	90.4	Very high	88.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-64.7	-35.4	-174	168.9	0	0	0	0	112.7	V439 V442 L459 E473 W474 D475 L490	V439-V486 HydrophobicContact CG1-CG2 3.85Å; V442-V486 HydrophobicContact CG2-CG2 3.86Å; L459-V486 HydrophobicContact CD2-CG2 3.8Å; E473-V486 WeakPolarHBondContact O-CG1 3.44Å; W474-V486 HydrophobicContact CE3-CG1 3.98Å; W474-V486 HydrophobicContact CE3-CG2 4.45Å; W474-V486 HydrophobicContact CZ3-CG1 4.45Å; W474-V486 HydrophobicContact CZ3-CG2 4.09Å; D475-V486 CarbonylContact C-O 3.56Å; D475-V486 PolarHBondContact N-O 3.32Å; V486-L490 HydrophobicContact CB-CD1 3.68Å; V486-L490 HydrophobicContact CG1-CD1 3.74Å
487	S	90.6	Very high	88.3	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.			trans	-148.3	163.1	172.7	71.5	0	0	0	0	110.5	D475 Y485 C489 L490 A491	D475-S487 VanDerWaalsContact O-CA 3.32Å; D475-S487 WeakPolarHBondContact O-CA 3.32Å; Y485-S487 VanDerWaalsContact C-N 3.33Å; Y485-S487 PolarHBondContact O-N 3.18Å; S487-C489 PolarHBondContact O-N 3.05Å; S487-L490 PolarHBondContact O-N 3.09Å; S487-L490 WeakPolarHBondContact OG-CG 3.39Å; S487-L490 PolarHBondContact OG-N 3.07Å; S487-L490 VanDerWaalsContact OG-N 3.13Å; S487-A491 PolarHBondContact O-N 3.13Å
488	P	89.4	Confident	87.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-29.7	173	-21.4	35.2	0	0	0	112.5	S130 P143 D475 V477 A491 G492 C493 F505	S130-P488 WeakPolarHBondContact OG-CD 3.43Å; S130-P488 WeakPolarHBondContact OG-CG 3.37Å; P143-P488 HydrophobicContact CB-CB 3.87Å; P143-P488 HydrophobicContact CG-CB 4.33Å; D475-P488 WeakPolarHBondContact O-CD 3.25Å; V477-P488 HydrophobicContact CG1-CB 4.46Å; V477-P488 HydrophobicContact CG1-CG 3.65Å; V477-P488 HydrophobicContact CG2-CG 4.45Å; P488-A491 PolarHBondContact O-N 2.86Å; P488-G492 PolarHBondContact O-N 2.91Å; P488-C493 HydrophobicContact CB-CB 4.29Å; P488-C493 WeakPolarHBondContact O-CB 3.34Å; P488-C493 PolarHBondContact O-N 3.37Å; P488-F505 HydrophobicContact CB-CD1 3.74Å; P488-F505 HydrophobicContact CB-CD2 4.36Å; P488-F505 HydrophobicContact CB-CE1 3.76Å; P488-F505 HydrophobicContact CB-CE2 4.38Å; P488-F505 HydrophobicContact CB-CG 4.03Å; P488-F505 HydrophobicContact CB-CZ 4.08Å; P488-F505 HydrophobicContact CG-CD1 4.09Å; P488-F505 HydrophobicContact CG-CD2 4.17Å; P488-F505 HydrophobicContact CG-CE1 3.67Å; P488-F505 HydrophobicContact CG-CE2 3.76Å; P488-F505 HydrophobicContact CG-CG 4.3Å; P488-F505 HydrophobicContact CG-CZ 3.48Å; P488-F505 VanDerWaalsContact CG-CZ 3.48Å
489	C	89.3	Confident	86.9	Confident	10 Å²	10	26.1 Å²	26.1	7%	0.068	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-49	172.8	-171.6	0	0	0	0	110.7	P143 C469 S487 A491 G492	P143-C489 WeakPolarHBondContact O-CB 3.45Å; P143-C489 PolarHBondContact O-SG 3.37Å; C469-C489 WeakPolarHBondContact CA-SG 3.29Å; C469-C489 HydrophobicContact CB-CB 3.95Å; C469-C489 WeakPolarHBondContact CB-SG 3.41Å; C469-C489 WeakPolarHBondContact SG-CB 3.33Å; C469-C489 PolarHBondContact SG-O 2.91Å; C469-C489 CovalentContact SG-SG 2.04Å; C469-C489 PolarHBondContact SG-SG 3.39Å; S487-C489 PolarHBondContact O-N 3.05Å; C489-A491 PolarHBondContact O-N 3.07Å; C489-G492 WeakPolarHBondContact O-CA 3.48Å; C489-G492 PolarHBondContact O-N 2.72Å
490	L	89.3	Confident	86.2	Confident	0 Å²	0	26 Å²	26	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.2	178.6	-71.1	168	0	0	0	112.7	Y446 F460 N464 C469 V486 S487 G492 C510	Y446-L490 PolarHBondContact OH-O 3.07Å; F460-L490 HydrophobicContact CD1-CD2 4.35Å; F460-L490 HydrophobicContact CE1-CD2 4.24Å; N464-L490 PolarHBondContact ND2-O 3.15Å; C469-L490 HydrophobicContact CB-CD2 3.73Å; C469-L490 HydrophobicContact CB-CG 4Å; V486-L490 HydrophobicContact CB-CD1 3.68Å; V486-L490 HydrophobicContact CG1-CD1 3.74Å; S487-L490 PolarHBondContact O-N 3.09Å; S487-L490 WeakPolarHBondContact OG-CG 3.39Å; S487-L490 PolarHBondContact OG-N 3.07Å; S487-L490 VanDerWaalsContact OG-N 3.13Å; L490-G492 VanDerWaalsContact C-N 3.26Å; L490-C510 PolarHBondContact O-SG 2.96Å
491	A	89.2	Confident	85.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.9	167.2	0	0	0	0	0	113.6	V477 Y485 S487 P488 C489 C508 S509 C510 V511	V477-A491 HydrophobicContact CG2-CB 4.12Å; Y485-A491 HydrophobicContact CD1-CB 4.01Å; Y485-A491 HydrophobicContact CD2-CB 4.26Å; Y485-A491 HydrophobicContact CG-CB 3.74Å; S487-A491 PolarHBondContact O-N 3.13Å; P488-A491 PolarHBondContact O-N 2.86Å; C489-A491 PolarHBondContact O-N 3.07Å; A491-C508 CarbonylContact O-C 3.51Å; A491-C508 WeakPolarHBondContact O-CB 3.33Å; A491-S509 PolarHBondContact O-N 3.37Å; A491-C510 WeakPolarHBondContact O-CB 3.5Å; A491-C510 PolarHBondContact O-N 3.3Å; A491-C510 VanDerWaalsContact O-N 3.07Å; A491-V511 HydrophobicContact CB-CG2 4.44Å
492	G	88.6	Confident	85.5	Confident	2 Å²	2	29.6 Å²	29.6	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	26.4	-179.5	0	0	0	0	0	114.3	P488 C489 L490 C508 S509	P488-G492 PolarHBondContact O-N 2.91Å; C489-G492 WeakPolarHBondContact O-CA 3.48Å; C489-G492 PolarHBondContact O-N 2.72Å; L490-G492 VanDerWaalsContact C-N 3.26Å; G492-C508 WeakPolarHBondContact O-CA 3.47Å; G492-S509 WeakPolarHBondContact CA-OG 3.5Å; G492-S509 PolarHBondContact O-N 3.49Å
493	C	88.9	Confident	85.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.2	-177.5	-53.2	0	0	0	0	111.8	C144 P488 F505 C508	C144-C493 VanDerWaalsContact CB-O 3.28Å; C144-C493 WeakPolarHBondContact CB-O 3.43Å; C144-C493 PolarHBondContact N-O 3.18Å; C144-C493 VanDerWaalsContact N-O 3.07Å; P488-C493 HydrophobicContact CB-CB 4.29Å; P488-C493 WeakPolarHBondContact O-CB 3.34Å; P488-C493 PolarHBondContact O-N 3.37Å; C493-F505 HydrophobicContact CB-CB 3.9Å; C493-C508 HydrophobicContact CB-CB 4.09Å; C493-C508 WeakPolarHBondContact CB-SG 3.18Å; C493-C508 WeakPolarHBondContact SG-CB 3.42Å; C493-C508 CovalentContact SG-SG 2.03Å; C493-C508 PolarHBondContact SG-SG 2.66Å
494	T	85.8	Confident	85.2	Confident	57 Å²	57	31.3 Å²	31.3	35%	0.35	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-23.1	-179.3	56.2	0	0	0	0	113.8	S142 C144 S506 N507	S142-T494 WeakPolarHBondContact CA-O 3.26Å; S142-T494 VanDerWaalsContact CB-O 3.23Å; S142-T494 WeakPolarHBondContact CB-O 3.39Å; C144-T494 HydrophobicContact CB-CG2 4.33Å; T494-S506 PolarHBondContact N-O 2.9Å; T494-N507 WeakPolarHBondContact OG1-CB 3.36Å
495	T	83.6	Confident	85.1	Confident	57 Å²	57	31.1 Å²	31.1	35%	0.35	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	149.3	-175.5	55.4	0	0	0	0	111.7	F505 S506	T495-F505 CarbonylContact O-C 3.54Å; T495-F505 WeakPolarHBondContact O-CA 3.37Å; T495-S506 PolarHBondContact N-O 3.29Å; T495-S506 PolarHBondContact O-N 2.93Å; T495-S506 WeakPolarHBondContact OG1-CB 3.25Å; T495-S506 PolarHBondContact OG1-O 3.44Å; T495-S506 VanDerWaalsContact OG1-O 3.1Å
496	S	84.1	Confident	85	Confident	9 Å²	9	32.4 Å²	32.4	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.5	173.5	60.7	0	0	0	0	109.8	N140	N140-S496 PolarHBondContact ND2-O 3.48Å
497	T	82.8	Confident	84.9	Confident	77 Å²	77	37 Å²	37	47%	0.472	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.1	179.3	56	0	0	0	0	109.9	T503 V504	T497-T503 CarbonylContact O-C 3.34Å; T497-T503 WeakPolarHBondContact O-CA 3.31Å; T497-V504 PolarHBondContact N-O 3.39Å; T497-V504 PolarHBondContact O-N 3.24Å; T497-V504 PolarHBondContact OG1-O 2.72Å
498	G	77.9	Confident	84.8	Confident	53 Å²	53	37 Å²	37	55%	0.546	22%	0.222	S	C	.	.	S	Bend	trans	93.4	-173.5	-176.7	0	0	0	0	0	113.8
499	S	74.5	Confident	84.7	Confident	68 Å²	68	39.8 Å²	39.8	48%	0.476	24%	0.242	S	C	.	.	S	Bend	trans	-139.5	143.6	-178.7	175.4	0	0	0	0	110.5	K501 N502	S499-K501 PolarHBondContact O-N 2.66Å; S499-N502 PolarHBondContact O-N 2.91Å
500	G	76.1	Confident	84.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	55	-134.3	177.4	0	0	0	0	0	112.4	D245 I247 T248 N502 T503	D245-G500 WeakPolarHBondContact O-CA 3.28Å; I247-G500 CarbonylContact O-C 3.53Å; T248-G500 WeakPolarHBondContact CG2-O 3.31Å; G500-N502 PolarHBondContact O-N 3.44Å; G500-N502 VanDerWaalsContact O-N 3.13Å; G500-T503 PolarHBondContact N-OG1 2.98Å; G500-T503 VanDerWaalsContact O-CB 3.32Å; G500-T503 WeakPolarHBondContact O-CB 3.48Å; G500-T503 PolarHBondContact O-N 3.15Å; G500-T503 VanDerWaalsContact O-N 3.08Å; G500-T503 PolarHBondContact O-OG1 2.87Å
501	K	76.2	Confident	84.5	Confident	132 Å²	132	40.3 Å²	40.3	57%	0.574	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.6	-21.2	-177.7	-172.8	-178.2	173.1	-174.2	0	114.5	I247 T250 S499 T503 T521	I247-K501 PolarHBondContact O-N 3.34Å; T250-K501 HydrophobicContact CG2-CD 3.8Å; T250-K501 VanDerWaalsContact CG2-CE 3.48Å; T250-K501 HydrophobicContact CG2-CG 4.31Å; S499-K501 PolarHBondContact O-N 2.66Å; K501-T503 VanDerWaalsContact C-N 3.28Å; K501-T521 PolarHBondContact O-OG1 2.96Å; K501-T521 VanDerWaalsContact O-OG1 3.13Å
502	N	80.2	Confident	83.6	Confident	132 Å²	132	42 Å²	42	71%	0.706	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-94.1	17	179.4	-62.4	-26	0	0	0	112.1	S499 G500 V504	S499-N502 PolarHBondContact O-N 2.91Å; G500-N502 PolarHBondContact O-N 3.44Å; G500-N502 VanDerWaalsContact O-N 3.13Å; N502-V504 PolarHBondContact O-N 3.17Å
503	T	83.7	Confident	82.1	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	30%	0.3	C	S	.	.			trans	-71.4	128.1	176.5	-54.5	0	0	0	0	109.7	V131 T497 G500 K501 F505	V131-T503 HydrophobicContact CG2-CG2 4.43Å; T497-T503 CarbonylContact O-C 3.34Å; T497-T503 WeakPolarHBondContact O-CA 3.31Å; G500-T503 PolarHBondContact N-OG1 2.98Å; G500-T503 VanDerWaalsContact O-CB 3.32Å; G500-T503 WeakPolarHBondContact O-CB 3.48Å; G500-T503 PolarHBondContact O-N 3.15Å; G500-T503 VanDerWaalsContact O-N 3.08Å; G500-T503 PolarHBondContact O-OG1 2.87Å; K501-T503 VanDerWaalsContact C-N 3.28Å; T503-F505 HydrophobicContact CG2-CE2 4.22Å; T503-F505 HydrophobicContact CG2-CZ 4.15Å
504	V	87.5	Confident	80.4	Confident	55 Å²	55	55.1 Å²	55.1	33%	0.333	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.5	176.3	-179	0	0	0	0	108.4	T497 N502 T518	T497-V504 PolarHBondContact N-O 3.39Å; T497-V504 PolarHBondContact O-N 3.24Å; T497-V504 PolarHBondContact OG1-O 2.72Å; N502-V504 PolarHBondContact O-N 3.17Å; V504-T518 HydrophobicContact CG1-CG2 4.39Å
505	F	88	Confident	79.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.4	172.8	-60.9	-84.4	0	0	0	109.4	V131 P143 V477 P488 C493 T495 T503 T518 A519 T521	V131-F505 HydrophobicContact CG2-CE1 3.83Å; V131-F505 HydrophobicContact CG2-CZ 3.53Å; P143-F505 HydrophobicContact CG-CD1 3.83Å; P143-F505 HydrophobicContact CG-CE1 3.82Å; V477-F505 HydrophobicContact CG1-CD2 3.71Å; V477-F505 HydrophobicContact CG1-CE2 3.62Å; P488-F505 HydrophobicContact CB-CD1 3.74Å; P488-F505 HydrophobicContact CB-CD2 4.36Å; P488-F505 HydrophobicContact CB-CE1 3.76Å; P488-F505 HydrophobicContact CB-CE2 4.38Å; P488-F505 HydrophobicContact CB-CG 4.03Å; P488-F505 HydrophobicContact CB-CZ 4.08Å; P488-F505 HydrophobicContact CG-CD1 4.09Å; P488-F505 HydrophobicContact CG-CD2 4.17Å; P488-F505 HydrophobicContact CG-CE1 3.67Å; P488-F505 HydrophobicContact CG-CE2 3.76Å; P488-F505 HydrophobicContact CG-CG 4.3Å; P488-F505 HydrophobicContact CG-CZ 3.48Å; P488-F505 VanDerWaalsContact CG-CZ 3.48Å; C493-F505 HydrophobicContact CB-CB 3.9Å; T495-F505 CarbonylContact O-C 3.54Å; T495-F505 WeakPolarHBondContact O-CA 3.37Å; T503-F505 HydrophobicContact CG2-CE2 4.22Å; T503-F505 HydrophobicContact CG2-CZ 4.15Å; F505-T518 CarbonylContact O-C 3.56Å; F505-T518 WeakPolarHBondContact O-CA 3.49Å; F505-T518 VanDerWaalsContact O-CB 3.31Å; F505-T518 WeakPolarHBondContact O-CB 3.42Å; F505-A519 HydrophobicContact CB-CB 4.44Å; F505-A519 PolarHBondContact N-O 3.29Å; F505-A519 PolarHBondContact O-N 2.92Å; F505-T521 HydrophobicContact CE2-CG2 4.01Å
506	S	88.2	Confident	78.1	Confident	26 Å²	26	58.1 Å²	58.1	18%	0.182	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	162.9	-178.4	-58.9	0	0	0	0	111	T494 T495 F517	T494-S506 PolarHBondContact N-O 2.9Å; T495-S506 PolarHBondContact N-O 3.29Å; T495-S506 PolarHBondContact O-N 2.93Å; T495-S506 WeakPolarHBondContact OG1-CB 3.25Å; T495-S506 PolarHBondContact OG1-O 3.44Å; T495-S506 VanDerWaalsContact OG1-O 3.1Å; S506-F517 CarbonylContact C-O 3.52Å; S506-F517 WeakPolarHBondContact CA-O 3.46Å
507	N	88.3	Confident	77.9	Confident	96 Å²	96	61.5 Å²	61.5	51%	0.513	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.3	46.9	-174.3	-61.5	-25.5	0	0	0	112.4	T494 S509 F517	T494-N507 WeakPolarHBondContact OG1-CB 3.36Å; N507-S509 PolarHBondContact O-N 3.23Å; N507-F517 PolarHBondContact N-O 2.9Å
508	C	88.8	Confident	78.2	Confident	0 Å²	0	59 Å²	59	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	101	178	-51.9	0	0	0	0	111.3	A491 G492 C493 C510 V511 F517	A491-C508 CarbonylContact O-C 3.51Å; A491-C508 WeakPolarHBondContact O-CB 3.33Å; G492-C508 WeakPolarHBondContact O-CA 3.47Å; C493-C508 HydrophobicContact CB-CB 4.09Å; C493-C508 WeakPolarHBondContact CB-SG 3.18Å; C493-C508 WeakPolarHBondContact SG-CB 3.42Å; C493-C508 CovalentContact SG-SG 2.03Å; C493-C508 PolarHBondContact SG-SG 2.66Å; C508-C510 VanDerWaalsContact C-N 3.25Å; C508-C510 PolarHBondContact O-N 3.31Å; C508-V511 HydrophobicContact CB-CB 4.15Å; C508-V511 HydrophobicContact CB-CG2 3.52Å; C508-V511 PolarHBondContact O-N 2.72Å; C508-F517 PolarHBondContact N-O 2.74Å; C508-F517 VanDerWaalsContact N-O 3.09Å
509	S	88.3	Confident	78.7	Confident	59 Å²	59	56.6 Å²	56.6	41%	0.413	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.3	-175.8	55.8	0	0	0	0	114.5	C463 A491 G492 N507	C463-S509 PolarHBondContact O-OG 2.93Å; A491-S509 PolarHBondContact O-N 3.37Å; G492-S509 WeakPolarHBondContact CA-OG 3.5Å; G492-S509 PolarHBondContact O-N 3.49Å; N507-S509 PolarHBondContact O-N 3.23Å
510	C	86.8	Confident	79.4	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.074	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.7	-176.9	-62.7	0	0	0	0	114.7	Y446 C463 Y485 L490 A491 C508	Y446-C510 HydrophobicContact CD1-CB 3.88Å; Y446-C510 HydrophobicContact CE1-CB 3.74Å; C463-C510 HydrophobicContact CB-CB 4.01Å; C463-C510 WeakPolarHBondContact CB-SG 3.38Å; C463-C510 VanDerWaalsContact SG-CA 3.54Å; C463-C510 WeakPolarHBondContact SG-CB 3.39Å; C463-C510 CovalentContact SG-SG 2.03Å; C463-C510 PolarHBondContact SG-SG 2.94Å; Y485-C510 HydrophobicContact CE1-CB 3.93Å; Y485-C510 PolarHBondContact OH-O 3.44Å; L490-C510 PolarHBondContact O-SG 2.96Å; A491-C510 WeakPolarHBondContact O-CB 3.5Å; A491-C510 PolarHBondContact O-N 3.3Å; A491-C510 VanDerWaalsContact O-N 3.07Å; C508-C510 VanDerWaalsContact C-N 3.25Å; C508-C510 PolarHBondContact O-N 3.31Å
511	V	86.8	Confident	80	Confident	11 Å²	11	56.1 Å²	56.1	7%	0.067	34%	0.339	C	S	.	.	S	Bend	trans	-84.4	-23.3	-175.1	177.9	0	0	0	0	112.6	N481 Y485 A491 C508	N481-V511 PolarHBondContact ND2-O 3.09Å; Y485-V511 HydrophobicContact CD2-CG2 4.36Å; Y485-V511 HydrophobicContact CE2-CG2 3.86Å; Y485-V511 WeakPolarHBondContact OH-CA 3.44Å; A491-V511 HydrophobicContact CB-CG2 4.44Å; C508-V511 HydrophobicContact CB-CB 4.15Å; C508-V511 HydrophobicContact CB-CG2 3.52Å; C508-V511 PolarHBondContact O-N 2.72Å
512	G	71.1	Confident	80.5	Confident	35 Å²	35	50.3 Å²	50.3	36%	0.361	32%	0.317	S	S	.	.			trans	166.3	-177.1	174.6	0	0	0	0	0	113.3	F517	G512-F517 WeakPolarHBondContact O-CD1 3.43Å; G512-F517 WeakPolarHBondContact O-CE1 3.49Å
513	V	57.8	Low	80.9	Confident	135 Å²	135	46.8 Å²	46.8	82%	0.818	30%	0.296	S	S	*	.	S	Bend	trans	-117.6	-15.3	-178.8	-167	0	0	0	0	111.9
514	T	52.3	Low	81.2	Confident	142 Å²	142	47.3 Å²	47.3	87%	0.871	30%	0.3	S	S	*	.	S	Bend	trans	-136.1	95.9	-176.8	43	0	0	0	0	111.6
515	G	58.1	Low	80.6	Confident	51 Å²	51	51.2 Å²	51.2	53%	0.526	32%	0.318	S	S	.	.	S	Bend	trans	144.3	-175	177.1	0	0	0	0	0	113.3	F517	G515-F517 PolarHBondContact O-N 3.42Å
516	N	62.3	Low	79.9	Confident	126 Å²	126	55.9 Å²	55.9	67%	0.674	34%	0.343	S	S	*	.			trans	-73.7	111.4	174.4	-74.5	-11.1	0	0	0	109.8	Q480 T518	Q480-N516 PolarHBondContact OE1-O 3.4Å; N516-T518 HydrophobicContact CB-CG2 4.48Å; N516-T518 PolarHBondContact O-N 2.85Å
517	F	80.9	Confident	79.1	Confident	80 Å²	80	56.4 Å²	56.4	35%	0.351	34%	0.342	S	S	.	.			trans	-71.3	67	-177.6	-51.3	-65.9	0	0	0	113.2	S506 N507 C508 G512 G515	S506-F517 CarbonylContact C-O 3.52Å; S506-F517 WeakPolarHBondContact CA-O 3.46Å; N507-F517 PolarHBondContact N-O 2.9Å; C508-F517 PolarHBondContact N-O 2.74Å; C508-F517 VanDerWaalsContact N-O 3.09Å; G512-F517 WeakPolarHBondContact O-CD1 3.43Å; G512-F517 WeakPolarHBondContact O-CE1 3.49Å; G515-F517 PolarHBondContact O-N 3.42Å
518	T	88.1	Confident	78.5	Confident	26 Å²	26	59.8 Å²	59.8	16%	0.16	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.1	-176.9	66.6	0	0	0	0	113	Q480 V504 F505 N516	Q480-T518 WeakPolarHBondContact CG-OG1 3.19Å; Q480-T518 PolarHBondContact N-O 2.78Å; Q480-T518 PolarHBondContact NE2-OG1 3.29Å; V504-T518 HydrophobicContact CG1-CG2 4.39Å; F505-T518 CarbonylContact O-C 3.56Å; F505-T518 WeakPolarHBondContact O-CA 3.49Å; F505-T518 VanDerWaalsContact O-CB 3.31Å; F505-T518 WeakPolarHBondContact O-CB 3.42Å; N516-T518 HydrophobicContact CB-CG2 4.48Å; N516-T518 PolarHBondContact O-N 2.85Å
519	A	89	Confident	78.1	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.8	175.6	0	0	0	0	0	110.7	V477 C478 F505	V477-A519 HydrophobicContact CB-CB 4.02Å; V477-A519 HydrophobicContact CG2-CB 4.04Å; C478-A519 CarbonylContact O-C 3.47Å; C478-A519 WeakPolarHBondContact O-CA 3.25Å; F505-A519 HydrophobicContact CB-CB 4.44Å; F505-A519 PolarHBondContact N-O 3.29Å; F505-A519 PolarHBondContact O-N 2.92Å
520	G	89	Confident	77.9	Confident	29 Å²	29	60.8 Å²	60.8	30%	0.299	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	156.5	175.1	0	0	0	0	0	111.9	V477 C478	V477-G520 CarbonylContact C-O 3.51Å; V477-G520 VanDerWaalsContact CA-O 3.25Å; V477-G520 WeakPolarHBondContact CA-O 3.49Å; V477-G520 WeakPolarHBondContact CB-O 3.2Å; C478-G520 PolarHBondContact N-O 3.28Å; C478-G520 PolarHBondContact O-N 3.28Å
521	T	87.9	Confident	77.9	Confident	29 Å²	29	64.1 Å²	64.1	18%	0.178	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	141.4	175.6	53.3	0	0	0	0	112.7	T248 K501 F505	T248-T521 HydrophobicContact CG2-CG2 4.39Å; K501-T521 PolarHBondContact O-OG1 2.96Å; K501-T521 VanDerWaalsContact O-OG1 3.13Å; F505-T521 HydrophobicContact CE2-CG2 4.01Å
522	G	87.9	Confident	77.9	Confident	11 Å²	11	71.9 Å²	71.9	11%	0.113	40%	0.401	C	S	.	.	S	Bend	trans	91.6	178.7	176	0	0	0	0	0	113.4	P476 V477 C478	P476-G522 CarbonylContact O-C 3.45Å; P476-G522 VanDerWaalsContact O-CA 3.25Å; P476-G522 WeakPolarHBondContact O-CA 3.43Å; P476-G522 PolarHBondContact O-N 2.93Å; V477-G522 CarbonylContact C-O 3.57Å; V477-G522 VanDerWaalsContact CA-O 3.3Å; V477-G522 WeakPolarHBondContact CA-O 3.46Å; C478-G522 PolarHBondContact N-O 2.79Å
523	Q	89	Confident	78.8	Confident	57 Å²	57	72.5 Å²	72.5	27%	0.266	40%	0.395	S	S	.	.			trans	-78.7	151.7	179.6	-57.8	-174.9	-25	0	0	111.9	P476 T484	P476-Q523 HydrophobicContact CB-CG 3.93Å; P476-Q523 HydrophobicContact CG-CG 4.07Å; T484-Q523 HydrophobicContact CG2-CB 4.17Å; T484-Q523 HydrophobicContact CG2-CG 4.04Å
524	C	88.3	Confident	80.5	Confident	13 Å²	13	66.7 Å²	66.7	9%	0.088	36%	0.359	C	S	.	.			trans	-63.2	139.6	175.2	-65	0	0	0	0	112.4	C478 I483 T484 N526	C478-C524 WeakPolarHBondContact CA-SG 3.5Å; C478-C524 HydrophobicContact CB-CB 4.02Å; C478-C524 WeakPolarHBondContact CB-SG 3.22Å; C478-C524 WeakPolarHBondContact SG-CA 3.37Å; C478-C524 WeakPolarHBondContact SG-CB 3.35Å; C478-C524 CovalentContact SG-SG 2.04Å; C478-C524 PolarHBondContact SG-SG 3.14Å; I483-C524 PolarHBondContact O-SG 3.36Å; I483-C524 VanDerWaalsContact O-SG 3.41Å; T484-C524 PolarHBondContact OG1-N 2.99Å; C524-N526 VanDerWaalsContact C-N 3.25Å; C524-N526 PolarHBondContact O-N 3.48Å
525	L	76.6	Confident	82.4	Confident	138 Å²	138	63.3 Å²	63.3	72%	0.723	34%	0.339	S	S	*	.			trans	-83.1	14	-174.3	-72.9	171.3	0	0	0	114.6	K527	L525-K527 VanDerWaalsContact C-N 3.32Å; L525-K527 WeakPolarHBondContact O-CG 3.43Å; L525-K527 PolarHBondContact O-N 3.41Å
526	N	72.1	Confident	84.1	Confident	97 Å²	97	67.4 Å²	67.4	52%	0.519	34%	0.34	S	S	.	.			trans	-65	92.5	178.2	-68.3	-15.3	0	0	0	109.8	R372 G482 C524	R372-N526 PolarHBondContact NH1-O 2.89Å; G482-N526 PolarHBondContact O-ND2 3.28Å; C524-N526 VanDerWaalsContact C-N 3.25Å; C524-N526 PolarHBondContact O-N 3.48Å
527	K	72.1	Confident	85.6	Confident	37 Å²	37	61.7 Å²	61.7	16%	0.161	31%	0.309	C	S	.	.			trans	-128.3	10.1	-172.1	-67.8	-174.3	-172.3	-171.2	0	113.2	R372 L525 D529 C530 D531	R372-K527 PolarHBondContact O-NZ 2.72Å; L525-K527 VanDerWaalsContact C-N 3.32Å; L525-K527 WeakPolarHBondContact O-CG 3.43Å; L525-K527 PolarHBondContact O-N 3.41Å; K527-D529 VanDerWaalsContact C-N 3.31Å; K527-D529 PolarHBondContact O-N 2.84Å; K527-C530 HydrophobicContact CB-CB 4.32Å; K527-C530 CarbonylContact O-C 3.17Å; K527-C530 WeakPolarHBondContact O-CA 3.48Å; K527-C530 WeakPolarHBondContact O-CB 3.5Å; K527-C530 PolarHBondContact O-N 3.48Å; K527-D531 WeakPolarHBondContact CB-OD2 3.43Å; K527-D531 PolarHBondContact O-N 3.22Å
528	E	76.4	Confident	86.2	Confident	168 Å²	168	59.1 Å²	59.1	79%	0.785	30%	0.298	S	S	*	.	H	α-helix	trans	-53	-46	-171.6	-62.1	-173.2	176.8	0	0	113	R532	E528-R532 WeakPolarHBondContact O-CB 3.22Å; E528-R532 PolarHBondContact O-N 2.84Å; E528-R532 VanDerWaalsContact O-N 3.08Å
529	D	78.9	Confident	86.6	Confident	80 Å²	80	60.4 Å²	60.4	43%	0.428	31%	0.311	S	S	.	.	H	α-helix	trans	-67.5	-42.3	176.4	-63.1	-41.3	0	0	0	112.9	K527 R532 M533	K527-D529 VanDerWaalsContact C-N 3.31Å; K527-D529 PolarHBondContact O-N 2.84Å; D529-R532 PolarHBondContact O-N 2.98Å; D529-M533 WeakPolarHBondContact O-CB 3.43Å; D529-M533 WeakPolarHBondContact O-CG 3.32Å; D529-M533 PolarHBondContact O-N 2.03Å
530	C	84.6	Confident	86.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-47.5	177.2	-95.1	0	0	0	0	111.1	C434 K527 R532 M533 F534	C434-C530 HydrophobicContact CB-CB 4.15Å; C434-C530 WeakPolarHBondContact CB-SG 3.44Å; C434-C530 VanDerWaalsContact SG-CA 3.51Å; C434-C530 WeakPolarHBondContact SG-CB 3.46Å; C434-C530 CovalentContact SG-SG 2.02Å; C434-C530 PolarHBondContact SG-SG 3.33Å; K527-C530 HydrophobicContact CB-CB 4.32Å; K527-C530 CarbonylContact O-C 3.17Å; K527-C530 WeakPolarHBondContact O-CA 3.48Å; K527-C530 WeakPolarHBondContact O-CB 3.5Å; K527-C530 PolarHBondContact O-N 3.48Å; C530-R532 VanDerWaalsContact C-N 3.31Å; C530-R532 PolarHBondContact O-N 3.15Å; C530-M533 PolarHBondContact O-N 2.85Å; C530-F534 WeakPolarHBondContact O-CB 3.5Å; C530-F534 PolarHBondContact O-N 3.28Å
531	D	86	Confident	87.2	Confident	80 Å²	80	60.1 Å²	60.1	43%	0.428	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-28.8	-177.1	-73.4	-27.6	0	0	0	111.8	Q373 K527 P535	Q373-D531 PolarHBondContact NE2-OD1 2.79Å; K527-D531 WeakPolarHBondContact CB-OD2 3.43Å; K527-D531 PolarHBondContact O-N 3.22Å; D531-P535 WeakPolarHBondContact O-CD 3.3Å
532	R	87.7	Confident	87.5	Confident	174 Å²	174	60.3 Å²	60.3	66%	0.657	31%	0.305	S	S	*	.	H	α-helix	trans	-72.6	-46.9	171.4	-173.4	179.1	178.4	-176.4	-0.1	112.5	E528 D529 C530 P535 Y536	E528-R532 WeakPolarHBondContact O-CB 3.22Å; E528-R532 PolarHBondContact O-N 2.84Å; E528-R532 VanDerWaalsContact O-N 3.08Å; D529-R532 PolarHBondContact O-N 2.98Å; C530-R532 VanDerWaalsContact C-N 3.31Å; C530-R532 PolarHBondContact O-N 3.15Å; R532-P535 WeakPolarHBondContact O-CD 3.46Å; R532-P535 WeakPolarHBondContact O-CG 3.43Å; R532-Y536 WeakPolarHBondContact O-CD2 2.99Å; R532-Y536 WeakPolarHBondContact O-CE2 2.99Å
533	M	90.6	Very high	87.9	Confident	49 Å²	49	64.1 Å²	64.1	24%	0.241	32%	0.321	C	S	.	.	H	α-helix	trans	-78.5	-28.4	-174.8	-66.9	-59	-75.9	0	0	113.4	F371 M432 D529 C530 Y536 F537	F371-M533 HydrophobicContact CE1-CB 4.42Å; M432-M533 HydrophobicContact CB-CE 4.25Å; M432-M533 HydrophobicContact CG-CE 4.14Å; D529-M533 WeakPolarHBondContact O-CB 3.43Å; D529-M533 WeakPolarHBondContact O-CG 3.32Å; D529-M533 PolarHBondContact O-N 2.03Å; C530-M533 PolarHBondContact O-N 2.85Å; M533-Y536 PolarHBondContact O-N 2.84Å; M533-F537 PolarHBondContact O-N 3.11Å
534	F	92.2	Very high	88.2	Confident	13 Å²	13	61.6 Å²	61.6	6%	0.057	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-48.4	-177.7	-179.5	-120.2	0	0	0	115.3	I367 F371 Q373 L381 C530 Y536 F537 L538	I367-F534 HydrophobicContact CG2-CE2 3.6Å; I367-F534 HydrophobicContact CG2-CZ 3.89Å; F371-F534 HydrophobicContact CB-CD2 3.7Å; F371-F534 HydrophobicContact CB-CE2 4.25Å; F371-F534 HydrophobicContact CB-CG 4.32Å; F371-F534 HydrophobicContact CD1-CB 3.79Å; F371-F534 AromaticContact CD1-CD2 3.82Å; F371-F534 HydrophobicContact CD1-CD2 3.82Å; F371-F534 HydrophobicContact CD1-CG 4.28Å; F371-F534 AromaticContact CD2-CD2 3.85Å; F371-F534 HydrophobicContact CD2-CD2 3.85Å; F371-F534 HydrophobicContact CD2-CE2 4.29Å; F371-F534 HydrophobicContact CE1-CB 4.31Å; F371-F534 HydrophobicContact CE1-CD2 4.4Å; F371-F534 HydrophobicContact CE2-CD2 4.42Å; F371-F534 HydrophobicContact CG-CB 4.3Å; F371-F534 AromaticContact CG-CD2 3.51Å; F371-F534 HydrophobicContact CG-CD2 3.51Å; F371-F534 HydrophobicContact CG-CE2 4.26Å; F371-F534 HydrophobicContact CG-CG 4.3Å; Q373-F534 HydrophobicContact CG-CD1 4.36Å; Q373-F534 HydrophobicContact CG-CD2 4.42Å; Q373-F534 HydrophobicContact CG-CE1 4.05Å; Q373-F534 HydrophobicContact CG-CE2 4.13Å; Q373-F534 HydrophobicContact CG-CZ 3.91Å; L381-F534 HydrophobicContact CD1-CE1 3.75Å; L381-F534 HydrophobicContact CD1-CZ 3.41Å; L381-F534 VanDerWaalsContact CD1-CZ 3.41Å; C530-F534 WeakPolarHBondContact O-CB 3.5Å; C530-F534 PolarHBondContact O-N 3.28Å; F534-Y536 VanDerWaalsContact C-N 3.31Å; F534-Y536 PolarHBondContact O-N 2.77Å; F534-F537 WeakPolarHBondContact O-CB 3.26Å; F534-F537 PolarHBondContact O-N 2.83Å; F534-L538 PolarHBondContact O-N 3.11Å
535	P	92.8	Very high	88.5	Confident	70 Å²	70	61.9 Å²	61.9	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-34.2	177.1	20.3	-30.9	0	0	0	113.2	D531 R532 L538 A539	D531-P535 WeakPolarHBondContact O-CD 3.3Å; R532-P535 WeakPolarHBondContact O-CD 3.46Å; R532-P535 WeakPolarHBondContact O-CG 3.43Å; P535-L538 PolarHBondContact O-N 3.29Å; P535-A539 WeakPolarHBondContact O-CB 3.38Å; P535-A539 PolarHBondContact O-N 3.4Å
536	Y	93.5	Very high	89.5	Confident	138 Å²	138	58.4 Å²	58.4	54%	0.541	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-42.9	173.3	-64.2	-74.5	0	0	0	111.7	R532 M533 F534 L538 A539 L540	R532-Y536 WeakPolarHBondContact O-CD2 2.99Å; R532-Y536 WeakPolarHBondContact O-CE2 2.99Å; M533-Y536 PolarHBondContact O-N 2.84Å; F534-Y536 VanDerWaalsContact C-N 3.31Å; F534-Y536 PolarHBondContact O-N 2.77Å; Y536-L538 VanDerWaalsContact C-N 3.33Å; Y536-L538 PolarHBondContact O-N 3.21Å; Y536-A539 PolarHBondContact O-N 3.32Å; Y536-L540 WeakPolarHBondContact O-CB 3.44Å; Y536-L540 PolarHBondContact O-N 2.64Å
537	F	94.3	Very high	90.6	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-46.1	173	171.1	-95.1	0	0	0	111.7	Y366 I367 F371 F429 M432 M533 F534 L540 S541	Y366-F537 HydrophobicContact CD1-CE2 4.49Å; Y366-F537 AromaticContact CD1-CZ 3.97Å; Y366-F537 HydrophobicContact CD1-CZ 3.97Å; Y366-F537 AromaticContact CE1-CE2 3.8Å; Y366-F537 HydrophobicContact CE1-CE2 3.8Å; Y366-F537 AromaticContact CE1-CZ 3.72Å; Y366-F537 HydrophobicContact CE1-CZ 3.72Å; I367-F537 HydrophobicContact CD1-CE1 4.33Å; I367-F537 HydrophobicContact CG1-CE1 3.95Å; F371-F537 HydrophobicContact CD2-CD1 4.25Å; F371-F537 HydrophobicContact CE1-CB 4.14Å; F371-F537 HydrophobicContact CE1-CG 4.49Å; F371-F537 HydrophobicContact CE2-CB 4.02Å; F371-F537 AromaticContact CE2-CD1 3.49Å; F371-F537 HydrophobicContact CE2-CD1 3.49Å; F371-F537 VanDerWaalsContact CE2-CD1 3.49Å; F371-F537 AromaticContact CE2-CD2 3.87Å; F371-F537 HydrophobicContact CE2-CD2 3.87Å; F371-F537 AromaticContact CE2-CE1 3.87Å; F371-F537 HydrophobicContact CE2-CE1 3.87Å; F371-F537 HydrophobicContact CE2-CE2 4.21Å; F371-F537 AromaticContact CE2-CG 3.49Å; F371-F537 HydrophobicContact CE2-CG 3.49Å; F371-F537 VanDerWaalsContact CE2-CG 3.49Å; F371-F537 HydrophobicContact CE2-CZ 4.21Å; F371-F537 HydrophobicContact CZ-CB 3.47Å; F371-F537 VanDerWaalsContact CZ-CB 3.47Å; F371-F537 AromaticContact CZ-CD1 3.89Å; F371-F537 HydrophobicContact CZ-CD1 3.89Å; F371-F537 AromaticContact CZ-CD2 3.84Å; F371-F537 HydrophobicContact CZ-CD2 3.84Å; F371-F537 AromaticContact CZ-CG 3.44Å; F371-F537 HydrophobicContact CZ-CG 3.44Å; F371-F537 VanDerWaalsContact CZ-CG 3.44Å; F429-F537 AromaticContact CD1-CD2 3.65Å; F429-F537 HydrophobicContact CD1-CD2 3.65Å; F429-F537 AromaticContact CD1-CE2 3.68Å; F429-F537 HydrophobicContact CD1-CE2 3.68Å; F429-F537 HydrophobicContact CE1-CD2 4.05Å; F429-F537 AromaticContact CE1-CE2 3.99Å; F429-F537 HydrophobicContact CE1-CE2 3.99Å; F429-F537 HydrophobicContact CG-CE2 4.25Å; M432-F537 WeakPolarHBondContact SD-CA 3.48Å; M432-F537 HydrophobicContact SD-CB 3.76Å; M432-F537 HydrophobicContact SD-CD2 4.37Å; M432-F537 PolarHBondContact SD-N 2.82Å; M432-F537 VanDerWaalsContact SD-N 3.43Å; M533-F537 PolarHBondContact O-N 3.11Å; F534-F537 WeakPolarHBondContact O-CB 3.26Å; F534-F537 PolarHBondContact O-N 2.83Å; F537-L540 PolarHBondContact O-N 3.11Å; F537-S541 WeakPolarHBondContact O-CB 3.4Å; F537-S541 PolarHBondContact O-N 2.78Å
538	L	94.1	Very high	91.6	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-47.5	179.1	-177.4	63.4	0	0	0	111.6	L381 I385 F534 P535 Y536 S541 V542	L381-L538 HydrophobicContact CB-CD1 4.39Å; L381-L538 HydrophobicContact CD1-CD2 4.37Å; L381-L538 HydrophobicContact CD2-CD2 4.01Å; I385-L538 HydrophobicContact CD1-CD2 3.95Å; F534-L538 PolarHBondContact O-N 3.11Å; P535-L538 PolarHBondContact O-N 3.29Å; Y536-L538 VanDerWaalsContact C-N 3.33Å; Y536-L538 PolarHBondContact O-N 3.21Å; L538-S541 WeakPolarHBondContact O-CB 3.4Å; L538-S541 PolarHBondContact O-N 3.21Å; L538-V542 VanDerWaalsContact O-CG2 3.3Å; L538-V542 WeakPolarHBondContact O-CG2 3.44Å; L538-V542 PolarHBondContact O-N 3.13Å
539	A	95.3	Very high	92.4	Very high	52 Å²	52	47.9 Å²	47.9	43%	0.43	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-48.6	178.3	0	0	0	0	0	111.7	P535 Y536 S541 V542 I543	P535-A539 WeakPolarHBondContact O-CB 3.38Å; P535-A539 PolarHBondContact O-N 3.4Å; Y536-A539 PolarHBondContact O-N 3.32Å; A539-S541 VanDerWaalsContact C-N 3.31Å; A539-S541 PolarHBondContact O-N 2.71Å; A539-V542 PolarHBondContact O-N 3.38Å; A539-I543 WeakPolarHBondContact O-CG1 3.48Å; A539-I543 PolarHBondContact O-N 3.04Å; A539-I543 VanDerWaalsContact O-N 3.1Å
540	L	95.6	Very high	93.1	Very high	18 Å²	18	45 Å²	45	9%	0.094	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-41.7	176.2	-179.7	64	0	0	0	111.2	L425 L428 F429 M432 Y536 F537 V542 I543 T544	L425-L540 HydrophobicContact CB-CD1 4.36Å; L425-L540 HydrophobicContact CD2-CD1 4.32Å; L428-L540 HydrophobicContact CB-CD2 3.57Å; L428-L540 HydrophobicContact CD1-CD1 4.18Å; F429-L540 HydrophobicContact CD1-CD2 3.46Å; F429-L540 VanDerWaalsContact CD1-CD2 3.46Å; F429-L540 HydrophobicContact CD1-CG 4.04Å; F429-L540 HydrophobicContact CE1-CB 3.93Å; F429-L540 HydrophobicContact CE1-CD2 3.46Å; F429-L540 VanDerWaalsContact CE1-CD2 3.46Å; F429-L540 HydrophobicContact CE1-CG 3.47Å; F429-L540 VanDerWaalsContact CE1-CG 3.47Å; F429-L540 HydrophobicContact CG-CD2 4.32Å; F429-L540 HydrophobicContact CZ-CD2 4.31Å; F429-L540 HydrophobicContact CZ-CG 4.07Å; M432-L540 HydrophobicContact CE-CB 4.08Å; M432-L540 HydrophobicContact CE-CD2 3.68Å; M432-L540 HydrophobicContact SD-CB 4.47Å; M432-L540 HydrophobicContact SD-CD2 3.91Å; Y536-L540 WeakPolarHBondContact O-CB 3.44Å; Y536-L540 PolarHBondContact O-N 2.64Å; F537-L540 PolarHBondContact O-N 3.11Å; L540-V542 VanDerWaalsContact C-N 3.3Å; L540-V542 PolarHBondContact O-N 3.34Å; L540-I543 PolarHBondContact O-N 3.02Å; L540-T544 WeakPolarHBondContact O-CB 3.25Å; L540-T544 PolarHBondContact O-N 3.37Å; L540-T544 PolarHBondContact O-OG1 3.48Å
541	S	94.6	Very high	93.4	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-39.3	178.9	-155.1	0	0	0	0	113	K363 F537 L538 A539 S545	K363-S541 WeakPolarHBondContact CE-OG 3.38Å; K363-S541 PolarHBondContact NZ-OG 3.09Å; F537-S541 WeakPolarHBondContact O-CB 3.4Å; F537-S541 PolarHBondContact O-N 2.78Å; L538-S541 WeakPolarHBondContact O-CB 3.4Å; L538-S541 PolarHBondContact O-N 3.21Å; A539-S541 VanDerWaalsContact C-N 3.31Å; A539-S541 PolarHBondContact O-N 2.71Å; S541-S545 VanDerWaalsContact O-CB 3.25Å; S541-S545 WeakPolarHBondContact O-CB 3.31Å; S541-S545 PolarHBondContact O-N 3.37Å; S541-S545 PolarHBondContact O-OG 3.1Å
542	V	95.7	Very high	93.5	Very high	34 Å²	34	43.2 Å²	43.2	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-48.4	176.6	171	0	0	0	0	111	I385 A389 L538 A539 L540 T544 S545 F546	I385-V542 HydrophobicContact CB-CG2 4.47Å; I385-V542 HydrophobicContact CG2-CG2 3.36Å; A389-V542 HydrophobicContact CB-CG1 3.83Å; L538-V542 VanDerWaalsContact O-CG2 3.3Å; L538-V542 WeakPolarHBondContact O-CG2 3.44Å; L538-V542 PolarHBondContact O-N 3.13Å; A539-V542 PolarHBondContact O-N 3.38Å; L540-V542 VanDerWaalsContact C-N 3.3Å; L540-V542 PolarHBondContact O-N 3.34Å; V542-T544 PolarHBondContact O-N 2.8Å; V542-S545 PolarHBondContact O-N 3.27Å; V542-F546 WeakPolarHBondContact O-CB 3.35Å; V542-F546 PolarHBondContact O-N 2.98Å
543	I	96.5	Very high	93.4	Very high	91 Å²	91	36.8 Å²	36.8	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-49.1	178.4	-65.1	166.2	0	0	0	110	L425 A539 L540 S545 F546 I547	L425-I543 HydrophobicContact CD1-CG2 4.08Å; A539-I543 WeakPolarHBondContact O-CG1 3.48Å; A539-I543 PolarHBondContact O-N 3.04Å; A539-I543 VanDerWaalsContact O-N 3.1Å; L540-I543 PolarHBondContact O-N 3.02Å; I543-S545 PolarHBondContact O-N 2.95Å; I543-F546 PolarHBondContact O-N 3.4Å; I543-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 WeakPolarHBondContact O-CB 3.24Å; I543-I547 VanDerWaalsContact O-CG1 3.28Å; I543-I547 WeakPolarHBondContact O-CG1 3.32Å; I543-I547 PolarHBondContact O-N 3.46Å
544	T	95.5	Very high	93.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-44.7	177.8	-62	0	0	0	0	111.6	L425 S426 F429 L540 V542 I547 I548	L425-T544 WeakPolarHBondContact CB-OG1 3.28Å; S426-T544 WeakPolarHBondContact OG-CG2 3.38Å; F429-T544 HydrophobicContact CE2-CG2 4.28Å; F429-T544 HydrophobicContact CZ-CG2 4.34Å; L540-T544 WeakPolarHBondContact O-CB 3.25Å; L540-T544 PolarHBondContact O-N 3.37Å; L540-T544 PolarHBondContact O-OG1 3.48Å; V542-T544 PolarHBondContact O-N 2.8Å; T544-I547 PolarHBondContact O-N 3.43Å; T544-I548 HydrophobicContact CG2-CD1 3.56Å; T544-I548 HydrophobicContact CG2-CG1 4.31Å; T544-I548 WeakPolarHBondContact O-CB 3.41Å; T544-I548 WeakPolarHBondContact O-CD1 3.37Å; T544-I548 WeakPolarHBondContact O-CG1 3.47Å; T544-I548 PolarHBondContact O-N 3.41Å
545	S	94.3	Very high	92.8	Very high	19 Å²	19	34.6 Å²	34.6	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-44.1	178.5	-59.5	0	0	0	0	111.5	S541 V542 I543 S549	S541-S545 VanDerWaalsContact O-CB 3.25Å; S541-S545 WeakPolarHBondContact O-CB 3.31Å; S541-S545 PolarHBondContact O-N 3.37Å; S541-S545 PolarHBondContact O-OG 3.1Å; V542-S545 PolarHBondContact O-N 3.27Å; I543-S545 PolarHBondContact O-N 2.95Å; S545-S549 VanDerWaalsContact O-CB 3.24Å; S545-S549 WeakPolarHBondContact O-CB 3.31Å; S545-S549 PolarHBondContact O-N 3.45Å; S545-S549 PolarHBondContact O-OG 3.13Å
546	F	95.9	Very high	92.3	Very high	66 Å²	66	36.7 Å²	36.7	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-59.8	-52.5	175	177.3	-97.2	0	0	0	111.4	L392 V542 I543 I548 S549 L550	L392-F546 HydrophobicContact CB-CD2 4.41Å; L392-F546 HydrophobicContact CB-CE2 4.27Å; V542-F546 WeakPolarHBondContact O-CB 3.35Å; V542-F546 PolarHBondContact O-N 2.98Å; I543-F546 PolarHBondContact O-N 3.4Å; F546-I548 PolarHBondContact O-N 3.18Å; F546-S549 WeakPolarHBondContact CA-OG 3.46Å; F546-S549 PolarHBondContact O-N 2.98Å; F546-S549 VanDerWaalsContact O-N 3.14Å; F546-S549 PolarHBondContact O-OG 3.26Å; F546-L550 HydrophobicContact CD1-CD1 4.26Å; F546-L550 HydrophobicContact CD1-CG 4.45Å; F546-L550 HydrophobicContact CE1-CD1 3.84Å; F546-L550 HydrophobicContact CE1-CD2 4.21Å; F546-L550 HydrophobicContact CE1-CG 4.1Å; F546-L550 HydrophobicContact CZ-CD1 4.47Å; F546-L550 HydrophobicContact CZ-CD2 4.03Å; F546-L550 HydrophobicContact CZ-CG 4.37Å; F546-L550 PolarHBondContact O-N 3.47Å
547	I	96.1	Very high	91.6	Very high	35 Å²	35	32.7 Å²	32.7	18%	0.179	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-44.8	-178.3	-67	-64.5	0	0	0	112	T418 I421 L425 I543 T544 S549 L550	T418-I547 WeakPolarHBondContact CB-O 3.12Å; T418-I547 WeakPolarHBondContact O-CG2 3.47Å; I421-I547 HydrophobicContact CB-CG2 4.06Å; I421-I547 HydrophobicContact CG2-CG2 3.86Å; L425-I547 HydrophobicContact CD1-CG1 4.27Å; I543-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 WeakPolarHBondContact O-CB 3.24Å; I543-I547 VanDerWaalsContact O-CG1 3.28Å; I543-I547 WeakPolarHBondContact O-CG1 3.32Å; I543-I547 PolarHBondContact O-N 3.46Å; T544-I547 PolarHBondContact O-N 3.43Å; I547-S549 VanDerWaalsContact C-N 3.3Å; I547-S549 PolarHBondContact O-N 3.06Å; I547-L550 HydrophobicContact CD1-CD1 3.96Å; I547-L550 WeakPolarHBondContact O-CB 3.47Å; I547-L550 PolarHBondContact O-N 3.08Å
548	I	93.6	Very high	91	Very high	35 Å²	35	33.3 Å²	33.3	18%	0.179	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-42.7	176.9	-66.9	168.1	0	0	0	110.2	T544 F546 L550 G551	T544-I548 HydrophobicContact CG2-CD1 3.56Å; T544-I548 HydrophobicContact CG2-CG1 4.31Å; T544-I548 WeakPolarHBondContact O-CB 3.41Å; T544-I548 WeakPolarHBondContact O-CD1 3.37Å; T544-I548 WeakPolarHBondContact O-CG1 3.47Å; T544-I548 PolarHBondContact O-N 3.41Å; F546-I548 PolarHBondContact O-N 3.18Å; I548-L550 VanDerWaalsContact C-N 3.33Å; I548-L550 PolarHBondContact O-N 2.66Å; I548-G551 PolarHBondContact O-N 3.12Å
549	S	92.8	Very high	90.3	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.07	18%	0.183	C	C	.	.	H	α-helix	trans	-70.2	-23.5	-177.6	69.2	0	0	0	0	114.3	V390 G393 M394 S545 F546 I547 G551 G552	V390-S549 WeakPolarHBondContact O-CB 3.46Å; V390-S549 PolarHBondContact O-OG 3.29Å; G393-S549 WeakPolarHBondContact CA-OG 3.21Å; M394-S549 WeakPolarHBondContact CA-O 3.36Å; S545-S549 VanDerWaalsContact O-CB 3.24Å; S545-S549 WeakPolarHBondContact O-CB 3.31Å; S545-S549 PolarHBondContact O-N 3.45Å; S545-S549 PolarHBondContact O-OG 3.13Å; F546-S549 WeakPolarHBondContact CA-OG 3.46Å; F546-S549 PolarHBondContact O-N 2.98Å; F546-S549 VanDerWaalsContact O-N 3.14Å; F546-S549 PolarHBondContact O-OG 3.26Å; I547-S549 VanDerWaalsContact C-N 3.3Å; I547-S549 PolarHBondContact O-N 3.06Å; S549-G551 PolarHBondContact O-N 2.81Å; S549-G552 PolarHBondContact O-N 3.37Å
550	L	94	Very high	89.3	Confident	21 Å²	21	31.8 Å²	31.8	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-54.5	-38.6	169.3	-72.8	170.7	0	0	0	111.8	G393 G397 F414 T418 F546 I547 I548 G552 P554	G393-L550 WeakPolarHBondContact O-CA 3.19Å; G393-L550 WeakPolarHBondContact O-CD2 3.38Å; G397-L550 WeakPolarHBondContact CA-O 3.31Å; F414-L550 HydrophobicContact CE1-CB 4.34Å; F414-L550 HydrophobicContact CZ-CB 4.34Å; T418-L550 HydrophobicContact CG2-CB 3.95Å; F546-L550 HydrophobicContact CD1-CD1 4.26Å; F546-L550 HydrophobicContact CD1-CG 4.45Å; F546-L550 HydrophobicContact CE1-CD1 3.84Å; F546-L550 HydrophobicContact CE1-CD2 4.21Å; F546-L550 HydrophobicContact CE1-CG 4.1Å; F546-L550 HydrophobicContact CZ-CD1 4.47Å; F546-L550 HydrophobicContact CZ-CD2 4.03Å; F546-L550 HydrophobicContact CZ-CG 4.37Å; F546-L550 PolarHBondContact O-N 3.47Å; I547-L550 HydrophobicContact CD1-CD1 3.96Å; I547-L550 WeakPolarHBondContact O-CB 3.47Å; I547-L550 PolarHBondContact O-N 3.08Å; I548-L550 VanDerWaalsContact C-N 3.33Å; I548-L550 PolarHBondContact O-N 2.66Å; L550-G552 VanDerWaalsContact C-N 3.3Å; L550-G552 PolarHBondContact O-N 2.91Å; L550-P554 WeakPolarHBondContact O-CD 3.42Å
551	G	90.3	Very high	88.5	Confident	8 Å²	8	36.3 Å²	36.3	8%	0.082	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.8	178.9	0	0	0	0	0	114.7	T418 I548 S549 G555	T418-G551 WeakPolarHBondContact OG1-CA 3.32Å; T418-G551 PolarHBondContact OG1-N 3.38Å; I548-G551 PolarHBondContact O-N 3.12Å; S549-G551 PolarHBondContact O-N 2.81Å; G551-G555 PolarHBondContact O-N 3.1Å
552	G	87.7	Confident	87.6	Confident	34 Å²	34	37.3 Å²	37.3	35%	0.351	20%	0.196	S	C	.	.	H	α-helix	trans	-63.1	-55.7	-174.5	0	0	0	0	0	113	S549 L550 G555 Y556	S549-G552 PolarHBondContact O-N 3.37Å; L550-G552 VanDerWaalsContact C-N 3.3Å; L550-G552 PolarHBondContact O-N 2.91Å; G552-G555 PolarHBondContact O-N 3.47Å; G552-Y556 PolarHBondContact O-N 3.3Å
553	T	85.1	Confident	86.7	Confident	39 Å²	39	36.3 Å²	36.3	24%	0.239	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-48.1	-179.1	-52.7	0	0	0	0	112.2	M394 G555 Y556 M557	M394-T553 PolarHBondContact O-OG1 2.66Å; T553-G555 VanDerWaalsContact C-N 3.33Å; T553-G555 PolarHBondContact O-N 3.04Å; T553-Y556 PolarHBondContact O-N 3.34Å; T553-M557 WeakPolarHBondContact O-CG 3.36Å; T553-M557 PolarHBondContact O-N 3.42Å
554	P	86.1	Confident	85.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-36.5	176	-25.6	39.4	0	0	0	113.3	M401 A411 F414 L550 M557 F558	M401-P554 HydrophobicContact CB-CG 4.25Å; M401-P554 HydrophobicContact SD-CB 4.16Å; M401-P554 HydrophobicContact SD-CG 4.31Å; A411-P554 HydrophobicContact CB-CB 4.22Å; F414-P554 HydrophobicContact CD1-CB 4.02Å; F414-P554 HydrophobicContact CD1-CG 3.66Å; F414-P554 HydrophobicContact CE1-CG 3.94Å; L550-P554 WeakPolarHBondContact O-CD 3.42Å; P554-M557 PolarHBondContact O-N 3.23Å; P554-F558 PolarHBondContact O-N 3.27Å
555	G	84.9	Confident	84.4	Confident	16 Å²	16	43 Å²	43	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-37.5	175.5	0	0	0	0	0	113.3	Y345 G551 G552 T553	Y345-G555 PolarHBondContact OH-O 3.39Å; Y345-G555 VanDerWaalsContact OH-O 3.04Å; G551-G555 PolarHBondContact O-N 3.1Å; G552-G555 PolarHBondContact O-N 3.47Å; T553-G555 VanDerWaalsContact C-N 3.33Å; T553-G555 PolarHBondContact O-N 3.04Å
556	Y	81.6	Confident	83	Confident	113 Å²	113	49.8 Å²	49.8	44%	0.443	26%	0.256	S	S	.	.	H	α-helix	trans	-71.8	-39.1	173.8	-174.3	-108.7	0	0	0	112.2	G552 T553 F558 L559 I560 L572	G552-Y556 PolarHBondContact O-N 3.3Å; T553-Y556 PolarHBondContact O-N 3.34Å; Y556-F558 VanDerWaalsContact C-N 3.29Å; Y556-F558 PolarHBondContact O-N 2.64Å; Y556-L559 HydrophobicContact CE2-CD2 4.47Å; Y556-L559 WeakPolarHBondContact O-CB 3.3Å; Y556-L559 PolarHBondContact O-N 2.93Å; Y556-I560 HydrophobicContact CD1-CD1 4.14Å; Y556-I560 HydrophobicContact CE1-CD1 3.62Å; Y556-I560 HydrophobicContact CE1-CG1 4.42Å; Y556-I560 PolarHBondContact O-N 2.64Å; Y556-L572 HydrophobicContact CE2-CD2 4.24Å
557	M	78.8	Confident	81.6	Confident	54 Å²	54	48.2 Å²	48.2	27%	0.266	25%	0.25	S	C	.	.	H	α-helix	trans	-65.1	-33.1	174.7	-71.2	-63.1	104.4	0	0	112.9	M401 T553 P554 L559 I560 R561	M401-M557 HydrophobicContact CE-CB 3.68Å; M401-M557 HydrophobicContact CE-CG 3.84Å; M401-M557 HydrophobicContact SD-CB 3.93Å; M401-M557 HydrophobicContact SD-CG 3.84Å; T553-M557 WeakPolarHBondContact O-CG 3.36Å; T553-M557 PolarHBondContact O-N 3.42Å; P554-M557 PolarHBondContact O-N 3.23Å; M557-L559 VanDerWaalsContact C-N 3.34Å; M557-I560 HydrophobicContact CE-CD1 3.68Å; M557-I560 PolarHBondContact O-N 3.09Å; M557-R561 WeakPolarHBondContact O-CB 3.45Å; M557-R561 WeakPolarHBondContact O-CG 3.2Å; M557-R561 PolarHBondContact O-N 3.38Å
558	F	82.6	Confident	80.3	Confident	20 Å²	20	49.6 Å²	49.6	9%	0.088	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-46.4	173.5	170.1	-102.6	0	0	0	111.5	Y345 I408 A412 P554 Y556 I560 R561 C562 L647	Y345-F558 AromaticContact CD2-CD1 3.62Å; Y345-F558 HydrophobicContact CD2-CD1 3.62Å; Y345-F558 AromaticContact CD2-CE1 3.46Å; Y345-F558 HydrophobicContact CD2-CE1 3.46Å; Y345-F558 VanDerWaalsContact CD2-CE1 3.46Å; Y345-F558 AromaticContact CE2-CD1 3.53Å; Y345-F558 HydrophobicContact CE2-CD1 3.53Å; Y345-F558 AromaticContact CE2-CE1 3.91Å; Y345-F558 HydrophobicContact CE2-CE1 3.91Å; Y345-F558 HydrophobicContact CG-CE1 4.18Å; I408-F558 HydrophobicContact CG2-CD2 3.75Å; I408-F558 HydrophobicContact CG2-CE2 3.92Å; A412-F558 HydrophobicContact CB-CD2 3.8Å; A412-F558 HydrophobicContact CB-CE2 4.04Å; A412-F558 HydrophobicContact CB-CG 4.31Å; P554-F558 PolarHBondContact O-N 3.27Å; Y556-F558 VanDerWaalsContact C-N 3.29Å; Y556-F558 PolarHBondContact O-N 2.64Å; F558-I560 PolarHBondContact O-N 3.2Å; F558-R561 PolarHBondContact O-N 3.13Å; F558-C562 HydrophobicContact CE2-CB 4.17Å; F558-C562 HydrophobicContact CZ-CB 4.19Å; F558-C562 WeakPolarHBondContact O-CB 3.4Å; F558-C562 PolarHBondContact O-N 3.23Å; F558-C562 PolarHBondContact O-SG 3.49Å; F558-C562 VanDerWaalsContact O-SG 3.35Å; F558-L647 HydrophobicContact CE2-CD1 4.04Å; F558-L647 HydrophobicContact CE2-CD2 3.52Å; F558-L647 HydrophobicContact CE2-CG 4.44Å; F558-L647 HydrophobicContact CZ-CD1 4.29Å; F558-L647 HydrophobicContact CZ-CD2 3.88Å
559	L	78.8	Confident	79	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.7	-51.2	174.9	173	62.3	0	0	0	111.5	Y342 Y345 Y556 M557 R561 C562 I563 L572 H575	Y342-L559 HydrophobicContact CD2-CD1 4.17Å; Y342-L559 HydrophobicContact CE2-CD1 3.88Å; Y345-L559 HydrophobicContact CD1-CD1 3.84Å; Y345-L559 HydrophobicContact CE1-CB 3.76Å; Y345-L559 HydrophobicContact CE1-CD1 3.54Å; Y345-L559 HydrophobicContact CE1-CD2 4.02Å; Y345-L559 HydrophobicContact CE1-CG 3.95Å; Y345-L559 WeakPolarHBondContact OH-CB 3.49Å; Y556-L559 HydrophobicContact CE2-CD2 4.47Å; Y556-L559 WeakPolarHBondContact O-CB 3.3Å; Y556-L559 PolarHBondContact O-N 2.93Å; M557-L559 VanDerWaalsContact C-N 3.34Å; L559-R561 VanDerWaalsContact C-N 3.25Å; L559-R561 PolarHBondContact O-N 3.29Å; L559-C562 PolarHBondContact O-N 2.8Å; L559-C562 PolarHBondContact O-SG 3.06Å; L559-I563 HydrophobicContact CD1-CD1 3.43Å; L559-I563 VanDerWaalsContact CD1-CD1 3.43Å; L559-I563 HydrophobicContact CG-CD1 4.18Å; L559-I563 WeakPolarHBondContact O-CD1 3.38Å; L559-L572 HydrophobicContact CD2-CD2 3.74Å; L559-L572 HydrophobicContact CG-CD2 4.26Å; L559-H575 HydrophobicContact CD2-CB 4.4Å
560	I	75.4	Confident	77.9	Confident	46 Å²	46	53.9 Å²	53.9	24%	0.236	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-35.4	-177.2	-64	-179	0	0	0	111.8	Y556 M557 F558 K568 L572	Y556-I560 HydrophobicContact CD1-CD1 4.14Å; Y556-I560 HydrophobicContact CE1-CD1 3.62Å; Y556-I560 HydrophobicContact CE1-CG1 4.42Å; Y556-I560 PolarHBondContact O-N 2.64Å; M557-I560 HydrophobicContact CE-CD1 3.68Å; M557-I560 PolarHBondContact O-N 3.09Å; F558-I560 PolarHBondContact O-N 3.2Å; I560-K568 HydrophobicContact CG2-CD 4.49Å; I560-K568 WeakPolarHBondContact O-CE 3.33Å; I560-L572 HydrophobicContact CG1-CD2 4.34Å
561	R	78.7	Confident	77	Confident	113 Å²	113	52.9 Å²	52.9	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-86.4	-23.6	-175.2	-67.9	-177.8	178.8	-180	-1.9	114	L406 I408 M557 F558 L559 I563	L406-R561 PolarHBondContact O-NH1 3.07Å; I408-R561 HydrophobicContact CD1-CB 3.84Å; I408-R561 HydrophobicContact CG1-CB 3.77Å; I408-R561 HydrophobicContact CG1-CG 4.46Å; M557-R561 WeakPolarHBondContact O-CB 3.45Å; M557-R561 WeakPolarHBondContact O-CG 3.2Å; M557-R561 PolarHBondContact O-N 3.38Å; F558-R561 PolarHBondContact O-N 3.13Å; L559-R561 VanDerWaalsContact C-N 3.25Å; L559-R561 PolarHBondContact O-N 3.29Å; R561-I563 VanDerWaalsContact C-N 3.34Å
562	C	74.6	Confident	76.2	Confident	26 Å²	26	54.8 Å²	54.8	18%	0.176	29%	0.287	C	S	.	.	H	α-helix	trans	-83	-9.5	-179.9	71.9	0	0	0	0	113.9	F558 L559	F558-C562 HydrophobicContact CE2-CB 4.17Å; F558-C562 HydrophobicContact CZ-CB 4.19Å; F558-C562 WeakPolarHBondContact O-CB 3.4Å; F558-C562 PolarHBondContact O-N 3.23Å; F558-C562 PolarHBondContact O-SG 3.49Å; F558-C562 VanDerWaalsContact O-SG 3.35Å; L559-C562 PolarHBondContact O-N 2.8Å; L559-C562 PolarHBondContact O-SG 3.06Å
563	I	77.5	Confident	75.5	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	-102.6	135.3	-179.3	-61.2	157.9	0	0	0	110.4	Y342 L559 R561 L567 K568 A571	Y342-I563 HydrophobicContact CD2-CD1 3.91Å; Y342-I563 HydrophobicContact CD2-CG1 4.17Å; Y342-I563 HydrophobicContact CE2-CD1 3.97Å; L559-I563 HydrophobicContact CD1-CD1 3.43Å; L559-I563 VanDerWaalsContact CD1-CD1 3.43Å; L559-I563 HydrophobicContact CG-CD1 4.18Å; L559-I563 WeakPolarHBondContact O-CD1 3.38Å; R561-I563 VanDerWaalsContact C-N 3.34Å; I563-L567 HydrophobicContact CG2-CB 3.8Å; I563-K568 HydrophobicContact CB-CG 4.13Å; I563-K568 HydrophobicContact CG2-CG 4Å; I563-K568 WeakPolarHBondContact O-CE 3.45Å; I563-A571 HydrophobicContact CD1-CB 3.36Å; I563-A571 HydrophobicContact CG1-CB 4.24Å; I563-A571 HydrophobicContact CG2-CB 4.09Å
564	K	73.3	Confident	75.4	Confident	131 Å²	131	55.9 Å²	55.9	57%	0.57	29%	0.291	S	S	*	.			trans	-54.7	137.1	173.6	-69.4	-177.8	-179.2	179.6	0	110.2	Q566 L567 K568	K564-Q566 HydrophobicContact CB-CG 4.22Å; K564-Q566 PolarHBondContact O-N 2.82Å; K564-L567 PolarHBondContact O-N 3.31Å; K564-K568 PolarHBondContact O-N 2.99Å
565	P	69.9	Low	75.3	Confident	102 Å²	102	57 Å²	57	66%	0.662	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-46.1	-43.6	-175.8	-30.1	35	0	0	0	114.9	L567 K568	P565-L567 VanDerWaalsContact C-N 3.26Å; P565-L567 PolarHBondContact O-N 3.48Å; P565-K568 PolarHBondContact O-N 2.84Å
566	Q	64.9	Low	75.2	Confident	163 Å²	163	58 Å²	58	76%	0.762	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.6	-17.7	179.3	47.6	-167.1	-5.6	0	0	115.6	K564	K564-Q566 HydrophobicContact CB-CG 4.22Å; K564-Q566 PolarHBondContact O-N 2.82Å
567	L	68	Low	75.4	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.168	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-110.9	-2.4	179	-63.7	175.1	0	0	0	113.6	T332 I563 K564 P565 S569 L570 A571	T332-L567 HydrophobicContact CG2-CD2 3.57Å; I563-L567 HydrophobicContact CG2-CB 3.8Å; K564-L567 PolarHBondContact O-N 3.31Å; P565-L567 VanDerWaalsContact C-N 3.26Å; P565-L567 PolarHBondContact O-N 3.48Å; L567-S569 PolarHBondContact O-N 3.47Å; L567-L570 PolarHBondContact O-N 2.68Å; L567-A571 VanDerWaalsContact O-CB 3.26Å; L567-A571 WeakPolarHBondContact O-CB 3.28Å; L567-A571 PolarHBondContact O-N 2.94Å
568	K	68.9	Low	75.9	Confident	65 Å²	65	54.1 Å²	54.1	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-62	-46.4	-170.3	-73.9	-178.6	-175.6	178.6	0	113.4	I560 I563 K564 P565 A571 L572	I560-K568 HydrophobicContact CG2-CD 4.49Å; I560-K568 WeakPolarHBondContact O-CE 3.33Å; I563-K568 HydrophobicContact CB-CG 4.13Å; I563-K568 HydrophobicContact CG2-CG 4Å; I563-K568 WeakPolarHBondContact O-CE 3.45Å; K564-K568 PolarHBondContact O-N 2.99Å; P565-K568 PolarHBondContact O-N 2.84Å; K568-A571 PolarHBondContact O-N 2.85Å; K568-L572 WeakPolarHBondContact O-CB 3.21Å; K568-L572 VanDerWaalsContact O-CG 3.26Å; K568-L572 WeakPolarHBondContact O-CG 3.2Å; K568-L572 PolarHBondContact O-N 2.81Å
569	S	65.9	Low	76.2	Confident	95 Å²	95	53.9 Å²	53.9	66%	0.664	29%	0.292	S	S	*	.	H	α-helix	trans	-64.7	-45.4	-178.5	53.7	0	0	0	0	111.7	L567 A571 L572 G573	L567-S569 PolarHBondContact O-N 3.47Å; S569-A571 PolarHBondContact O-N 3.13Å; S569-L572 PolarHBondContact O-N 3.35Å; S569-G573 PolarHBondContact O-N 2.91Å
570	L	69.3	Low	76.8	Confident	39 Å²	39	56.1 Å²	56.1	20%	0.204	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-45	175.8	179.8	64.2	0	0	0	111.4	F329 T332 L336 L567 G573 F574	F329-L570 HydrophobicContact CD2-CD1 4.28Å; F329-L570 HydrophobicContact CE2-CD1 3.6Å; F329-L570 HydrophobicContact CZ-CD1 4.43Å; T332-L570 HydrophobicContact CG2-CD2 3.61Å; L336-L570 HydrophobicContact CD2-CD2 4.29Å; L336-L570 HydrophobicContact CD2-CG 4.1Å; L567-L570 PolarHBondContact O-N 2.68Å; L570-G573 PolarHBondContact O-N 3.36Å; L570-F574 PolarHBondContact O-N 3.34Å
571	A	74.1	Confident	77.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-40.8	179	0	0	0	0	0	112.8	L336 Y342 I563 L567 K568 S569 G573 F574 H575	L336-A571 HydrophobicContact CD1-CB 3.76Å; L336-A571 HydrophobicContact CD2-CB 3.98Å; Y342-A571 HydrophobicContact CE2-CB 3.88Å; Y342-A571 PolarHBondContact OH-O 3.41Å; I563-A571 HydrophobicContact CD1-CB 3.36Å; I563-A571 HydrophobicContact CG1-CB 4.24Å; I563-A571 HydrophobicContact CG2-CB 4.09Å; L567-A571 VanDerWaalsContact O-CB 3.26Å; L567-A571 WeakPolarHBondContact O-CB 3.28Å; L567-A571 PolarHBondContact O-N 2.94Å; K568-A571 PolarHBondContact O-N 2.85Å; S569-A571 PolarHBondContact O-N 3.13Å; A571-G573 VanDerWaalsContact C-N 3.32Å; A571-G573 PolarHBondContact O-N 3.15Å; A571-F574 PolarHBondContact O-N 3.09Å; A571-H575 WeakPolarHBondContact O-CB 3.46Å; A571-H575 PolarHBondContact O-N 3.45Å
572	L	74.4	Confident	78.3	Confident	49 Å²	49	55.9 Å²	55.9	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-40.1	173.1	-73.3	169.4	0	0	0	111.7	Y556 L559 I560 K568 S569 A576	Y556-L572 HydrophobicContact CE2-CD2 4.24Å; L559-L572 HydrophobicContact CD2-CD2 3.74Å; L559-L572 HydrophobicContact CG-CD2 4.26Å; I560-L572 HydrophobicContact CG1-CD2 4.34Å; K568-L572 WeakPolarHBondContact O-CB 3.21Å; K568-L572 VanDerWaalsContact O-CG 3.26Å; K568-L572 WeakPolarHBondContact O-CG 3.2Å; K568-L572 PolarHBondContact O-N 2.81Å; S569-L572 PolarHBondContact O-N 3.35Å; L572-A576 WeakPolarHBondContact O-CB 3.37Å; L572-A576 PolarHBondContact O-N 3.31Å
573	G	73.4	Confident	79.1	Confident	43 Å²	43	54.6 Å²	54.6	44%	0.443	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-47.9	174.6	0	0	0	0	0	112.7	S569 L570 A571 A576 L577	S569-G573 PolarHBondContact O-N 2.91Å; L570-G573 PolarHBondContact O-N 3.36Å; A571-G573 VanDerWaalsContact C-N 3.32Å; A571-G573 PolarHBondContact O-N 3.15Å; G573-A576 PolarHBondContact O-N 2.85Å; G573-L577 WeakPolarHBondContact O-CB 3.28Å; G573-L577 PolarHBondContact O-N 3.44Å
574	F	81.5	Confident	79.8	Confident	52 Å²	52	54.2 Å²	54.2	23%	0.228	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-39.6	177.3	-170.4	-97.3	0	0	0	112.2	L333 L336 L337 Y342 L346 L570 A571 L577 A578	L333-F574 HydrophobicContact CD1-CD2 3.94Å; L333-F574 HydrophobicContact CD1-CE2 4.11Å; L336-F574 HydrophobicContact CD2-CB 4.45Å; L337-F574 HydrophobicContact CD2-CD1 4.44Å; L337-F574 HydrophobicContact CD2-CE1 3.72Å; L337-F574 HydrophobicContact CD2-CZ 3.93Å; Y342-F574 HydrophobicContact CE1-CD1 4.27Å; L346-F574 HydrophobicContact CD2-CD1 3.69Å; L346-F574 HydrophobicContact CD2-CE1 3.4Å; L570-F574 PolarHBondContact O-N 3.34Å; A571-F574 PolarHBondContact O-N 3.09Å; F574-L577 HydrophobicContact CD2-CD2 4.41Å; F574-L577 PolarHBondContact O-N 3.35Å; F574-A578 HydrophobicContact CE1-CB 4.48Å; F574-A578 VanDerWaalsContact O-CB 3.28Å; F574-A578 WeakPolarHBondContact O-CB 3.4Å; F574-A578 PolarHBondContact O-N 3.39Å
575	H	84.9	Confident	80.8	Confident	23 Å²	23	49.6 Å²	49.6	11%	0.106	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-48.7	172.4	170.6	-84.1	0	0	0	111.2	Y342 L346 V349 L559 A571 L577 A578 T579	Y342-H575 PolarHBondContact OH-N 3.25Å; L346-H575 HydrophobicContact CD1-CB 4.24Å; V349-H575 WeakPolarHBondContact CG1-NE2 3.35Å; L559-H575 HydrophobicContact CD2-CB 4.4Å; A571-H575 WeakPolarHBondContact O-CB 3.46Å; A571-H575 PolarHBondContact O-N 3.45Å; H575-L577 PolarHBondContact O-N 2.9Å; H575-A578 PolarHBondContact O-N 3.42Å; H575-T579 WeakPolarHBondContact O-CB 3.04Å; H575-T579 WeakPolarHBondContact O-CG2 3.19Å; H575-T579 PolarHBondContact O-N 3.35Å; H575-T579 PolarHBondContact O-OG1 2.86Å
576	A	82.8	Confident	82.1	Confident	38 Å²	38	46.7 Å²	46.7	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.2	0	0	0	0	0	111.8	L572 G573 T579 R580	L572-A576 WeakPolarHBondContact O-CB 3.37Å; L572-A576 PolarHBondContact O-N 3.31Å; G573-A576 PolarHBondContact O-N 2.85Å; A576-T579 WeakPolarHBondContact CA-OG1 3.35Å; A576-T579 PolarHBondContact O-N 3.32Å; A576-T579 PolarHBondContact O-OG1 3.07Å; A576-T579 VanDerWaalsContact O-OG1 3.08Å; A576-R580 WeakPolarHBondContact O-CB 3.23Å; A576-R580 VanDerWaalsContact O-CG 3.24Å; A576-R580 WeakPolarHBondContact O-CG 3.46Å; A576-R580 PolarHBondContact O-N 3.49Å
577	L	85.8	Confident	83.5	Confident	77 Å²	77	39 Å²	39	40%	0.403	23%	0.227	S	C	.	.	H	α-helix	trans	-58.5	-52.1	177	-179.1	72.8	0	0	0	111.9	L82 G573 F574 H575 R580 T581	L82-L577 HydrophobicContact CD2-CD1 3.5Å; G573-L577 WeakPolarHBondContact O-CB 3.28Å; G573-L577 PolarHBondContact O-N 3.44Å; F574-L577 HydrophobicContact CD2-CD2 4.41Å; F574-L577 PolarHBondContact O-N 3.35Å; H575-L577 PolarHBondContact O-N 2.9Å; L577-R580 PolarHBondContact O-N 2.82Å; L577-T581 VanDerWaalsContact O-CB 3.3Å; L577-T581 WeakPolarHBondContact O-CB 3.18Å; L577-T581 PolarHBondContact O-N 3.31Å; L577-T581 PolarHBondContact O-OG1 2.96Å
578	A	89.8	Confident	84.9	Confident	9 Å²	9	37.4 Å²	37.4	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-42.1	-178.1	0	0	0	0	0	111.7	L346 V350 F574 H575 T581 L582	L346-A578 HydrophobicContact CD1-CB 4.01Å; L346-A578 HydrophobicContact CD2-CB 4.08Å; L346-A578 HydrophobicContact CG-CB 4.36Å; V350-A578 HydrophobicContact CG2-CB 4.47Å; F574-A578 HydrophobicContact CE1-CB 4.48Å; F574-A578 VanDerWaalsContact O-CB 3.28Å; F574-A578 WeakPolarHBondContact O-CB 3.4Å; F574-A578 PolarHBondContact O-N 3.39Å; H575-A578 PolarHBondContact O-N 3.42Å; A578-T581 PolarHBondContact O-N 3.13Å; A578-L582 WeakPolarHBondContact O-CA 3.42Å; A578-L582 WeakPolarHBondContact O-CB 3.27Å; A578-L582 WeakPolarHBondContact O-CG 3.35Å; A578-L582 PolarHBondContact O-N 3.06Å
579	T	89.3	Confident	86.2	Confident	15 Å²	15	36.9 Å²	36.9	9%	0.092	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-40.9	179.3	53.1	0	0	0	0	112.4	V349 V350 L353 H575 A576 A583 G584	V349-T579 HydrophobicContact CG1-CG2 4.13Å; V350-T579 HydrophobicContact CG2-CG2 4.13Å; L353-T579 HydrophobicContact CD1-CG2 3.42Å; L353-T579 VanDerWaalsContact CD1-CG2 3.42Å; H575-T579 WeakPolarHBondContact O-CB 3.04Å; H575-T579 WeakPolarHBondContact O-CG2 3.19Å; H575-T579 PolarHBondContact O-N 3.35Å; H575-T579 PolarHBondContact O-OG1 2.86Å; A576-T579 WeakPolarHBondContact CA-OG1 3.35Å; A576-T579 PolarHBondContact O-N 3.32Å; A576-T579 PolarHBondContact O-OG1 3.07Å; A576-T579 VanDerWaalsContact O-OG1 3.08Å; T579-A583 WeakPolarHBondContact O-CA 3.02Å; T579-A583 WeakPolarHBondContact O-CB 3.47Å; T579-A583 PolarHBondContact O-N 3.49Å; T579-G584 PolarHBondContact O-N 3.48Å
580	R	90.1	Very high	87.7	Confident	47 Å²	47	35.2 Å²	35.2	18%	0.177	20%	0.198	C	C	.	.	I	π-helix	trans	-66.8	-41	175.6	-65.2	-176.7	89	127	11.7	111.9	E78 N81 L82 E187 A576 L577 G584 I585	E78-R580 IonicContact OE1-NH2 2.7Å; E78-R580 IonicContact OE2-CZ 2.72Å; E78-R580 IonicContact OE2-NE 2.72Å; E78-R580 PolarHBondContact OE2-NE 2.91Å; E78-R580 IonicContact OE2-NH2 2.66Å; E78-R580 PolarHBondContact OE2-NH2 3.1Å; N81-R580 PolarHBondContact ND2-NH2 3.36Å; L82-R580 HydrophobicContact CD2-CB 4.3Å; E187-R580 IonicContact OE2-CZ 3.54Å; E187-R580 IonicContact OE2-NH1 3.01Å; E187-R580 IonicContact OE2-NH2 3.08Å; E187-R580 PolarHBondContact OE2-NH2 2.93Å; E187-R580 VanDerWaalsContact OE2-NH2 3.1Å; A576-R580 WeakPolarHBondContact O-CB 3.23Å; A576-R580 VanDerWaalsContact O-CG 3.24Å; A576-R580 WeakPolarHBondContact O-CG 3.46Å; A576-R580 PolarHBondContact O-N 3.49Å; L577-R580 PolarHBondContact O-N 2.82Å; R580-G584 VanDerWaalsContact O-CA 3.28Å; R580-G584 WeakPolarHBondContact O-CA 3.4Å; R580-G584 PolarHBondContact O-N 3.05Å; R580-I585 PolarHBondContact O-N 2.87Å
581	T	91.3	Very high	89	Confident	55 Å²	55	33.4 Å²	33.4	34%	0.337	19%	0.189	S	C	.	.	I	π-helix	trans	-73.9	-49.7	-178.8	-50.5	0	0	0	0	112.7	L82 L577 A578 P586	L82-T581 WeakPolarHBondContact CD1-OG1 3.22Å; L577-T581 VanDerWaalsContact O-CB 3.3Å; L577-T581 WeakPolarHBondContact O-CB 3.18Å; L577-T581 PolarHBondContact O-N 3.31Å; L577-T581 PolarHBondContact O-OG1 2.96Å; A578-T581 PolarHBondContact O-N 3.13Å; T581-P586 VanDerWaalsContact O-CD 3.25Å; T581-P586 WeakPolarHBondContact O-CD 3.38Å
582	L	94.1	Very high	90	Very high	98 Å²	98	33.4 Å²	33.4	51%	0.513	19%	0.189	S	C	.	.	I	π-helix	trans	-93.9	-13.7	-170.6	-59.5	178.6	0	0	0	113.9	V350 N354 A578 P586	V350-L582 HydrophobicContact CG1-CB 3.59Å; V350-L582 HydrophobicContact CG1-CD1 4.32Å; N354-L582 PolarHBondContact ND2-O 3.07Å; A578-L582 WeakPolarHBondContact O-CA 3.42Å; A578-L582 WeakPolarHBondContact O-CB 3.27Å; A578-L582 WeakPolarHBondContact O-CG 3.35Å; A578-L582 PolarHBondContact O-N 3.06Å; L582-P586 VanDerWaalsContact C-CG 3.47Å; L582-P586 WeakPolarHBondContact O-CG 3.12Å
583	A	93.1	Very high	91.1	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-118.1	-46	174.2	0	0	0	0	0	112.6	L353 N354 I357 T579 A587	L353-A583 HydrophobicContact CB-CB 3.92Å; N354-A583 HydrophobicContact CB-CB 4.39Å; N354-A583 VanDerWaalsContact ND2-CA 3.26Å; N354-A583 WeakPolarHBondContact ND2-CA 3.38Å; N354-A583 VanDerWaalsContact ND2-CB 3.3Å; N354-A583 WeakPolarHBondContact ND2-CB 3.43Å; I357-A583 HydrophobicContact CD1-CB 4.04Å; T579-A583 WeakPolarHBondContact O-CA 3.02Å; T579-A583 WeakPolarHBondContact O-CB 3.47Å; T579-A583 PolarHBondContact O-N 3.49Å; A583-A587 WeakPolarHBondContact O-CB 3.08Å; A583-A587 PolarHBondContact O-N 2.56Å
584	G	91.5	Very high	92.2	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	18%	0.184	C	C	.	.	I	π-helix	trans	-59.9	-47.8	-177.8	0	0	0	0	0	114.2	T579 R580 P588	T579-G584 PolarHBondContact O-N 3.48Å; R580-G584 VanDerWaalsContact O-CA 3.28Å; R580-G584 WeakPolarHBondContact O-CA 3.4Å; R580-G584 PolarHBondContact O-N 3.05Å; G584-P588 WeakPolarHBondContact O-CD 3.45Å
585	I	94.6	Very high	92.9	Very high	35 Å²	35	31 Å²	31	18%	0.179	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-55.2	-178.5	-59	168.2	0	0	0	112.7	E78 I79 L82 R580 I589	E78-I585 HydrophobicContact CB-CD1 4.4Å; E78-I585 HydrophobicContact CB-CG1 3.71Å; I79-I585 HydrophobicContact CG1-CD1 3.68Å; I79-I585 HydrophobicContact CG1-CG1 4.06Å; L82-I585 HydrophobicContact CD1-CD1 3.88Å; R580-I585 PolarHBondContact O-N 2.87Å; I585-I589 HydrophobicContact CG2-CD1 4.11Å; I585-I589 WeakPolarHBondContact O-CD1 3.09Å; I585-I589 WeakPolarHBondContact O-CG1 3.28Å
586	P	95.8	Very high	93.4	Very high	41 Å²	41	30.5 Å²	30.5	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-73.6	-33.9	-171.3	27.4	-35.2	0	0	0	113.3	T581 L582 I589 Y590	T581-P586 VanDerWaalsContact O-CD 3.25Å; T581-P586 WeakPolarHBondContact O-CD 3.38Å; L582-P586 VanDerWaalsContact C-CG 3.47Å; L582-P586 WeakPolarHBondContact O-CG 3.12Å; P586-I589 WeakPolarHBondContact O-CB 3.35Å; P586-I589 PolarHBondContact O-N 2.94Å; P586-Y590 VanDerWaalsContact C-CD1 3.49Å; P586-Y590 HydrophobicContact CB-CD1 4.15Å; P586-Y590 HydrophobicContact CB-CE1 4.14Å; P586-Y590 WeakPolarHBondContact O-CD1 3.48Å; P586-Y590 WeakPolarHBondContact O-CE1 3.46Å; P586-Y590 PolarHBondContact O-N 2.82Å; P586-Y590 VanDerWaalsContact O-N 3.08Å
587	A	95.8	Very high	94	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-51.9	-172.7	0	0	0	0	0	113.5	N354 I357 A583 I589 Y590 F591	N354-A587 WeakPolarHBondContact O-CB 3.42Å; I357-A587 HydrophobicContact CB-CB 4.14Å; I357-A587 HydrophobicContact CG2-CB 4.03Å; A583-A587 WeakPolarHBondContact O-CB 3.08Å; A583-A587 PolarHBondContact O-N 2.56Å; A587-I589 PolarHBondContact O-N 2.98Å; A587-Y590 HydrophobicContact CB-CE1 4.21Å; A587-F591 VanDerWaalsContact O-CB 3.31Å; A587-F591 WeakPolarHBondContact O-CB 3.46Å; A587-F591 VanDerWaalsContact O-CD2 3.22Å; A587-F591 WeakPolarHBondContact O-CD2 3.41Å; A587-F591 PolarHBondContact O-N 3.13Å; A587-F591 VanDerWaalsContact O-N 3.12Å
588	P	95.8	Very high	94.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-32.4	176.6	-24.8	36.7	0	0	0	113.6	G71 D74 I357 T361 Y362 G584 G592	G71-P588 WeakPolarHBondContact CA-O 3.35Å; D74-P588 HydrophobicContact CB-CB 4.18Å; D74-P588 HydrophobicContact CB-CG 4.43Å; D74-P588 WeakPolarHBondContact OD2-CG 3.32Å; I357-P588 HydrophobicContact CG2-CG 4.05Å; T361-P588 HydrophobicContact CG2-CB 4.38Å; Y362-P588 WeakPolarHBondContact CE2-O 3.25Å; Y362-P588 PolarHBondContact OH-O 3.02Å; G584-P588 WeakPolarHBondContact O-CD 3.45Å; P588-G592 PolarHBondContact O-N 2.82Å
589	I	96.9	Very high	94.5	Very high	54 Å²	54	30.9 Å²	30.9	28%	0.277	17%	0.173	S	C	.	.	H	α-helix	trans	-70	-56.4	-176.4	-59	170.8	0	0	0	110.9	V72 I585 P586 A587 G592 A593	V72-I589 HydrophobicContact CG2-CD1 4.03Å; V72-I589 HydrophobicContact CG2-CG1 3.92Å; V72-I589 HydrophobicContact CG2-CG2 4.31Å; I585-I589 HydrophobicContact CG2-CD1 4.11Å; I585-I589 WeakPolarHBondContact O-CD1 3.09Å; I585-I589 WeakPolarHBondContact O-CG1 3.28Å; P586-I589 WeakPolarHBondContact O-CB 3.35Å; P586-I589 PolarHBondContact O-N 2.94Å; A587-I589 PolarHBondContact O-N 2.98Å; I589-G592 PolarHBondContact O-N 2.83Å; I589-A593 PolarHBondContact O-N 3.4Å
590	Y	96.6	Very high	94.5	Very high	60 Å²	60	32.1 Å²	32.1	24%	0.235	18%	0.179	C	C	.	.	H	α-helix	trans	-74.7	-30.4	-176.1	68.2	-106.2	0	0	0	112.4	N354 P586 A587 G592 A593 I594 L628 L632	N354-Y590 WeakPolarHBondContact CB-OH 3.36Å; N354-Y590 WeakPolarHBondContact OD1-CE1 3.42Å; N354-Y590 PolarHBondContact OD1-OH 3.06Å; P586-Y590 VanDerWaalsContact C-CD1 3.49Å; P586-Y590 HydrophobicContact CB-CD1 4.15Å; P586-Y590 HydrophobicContact CB-CE1 4.14Å; P586-Y590 WeakPolarHBondContact O-CD1 3.48Å; P586-Y590 WeakPolarHBondContact O-CE1 3.46Å; P586-Y590 PolarHBondContact O-N 2.82Å; P586-Y590 VanDerWaalsContact O-N 3.08Å; A587-Y590 HydrophobicContact CB-CE1 4.21Å; Y590-G592 VanDerWaalsContact C-N 3.32Å; Y590-A593 PolarHBondContact O-N 3.23Å; Y590-I594 WeakPolarHBondContact O-CB 3.44Å; Y590-I594 WeakPolarHBondContact O-CG1 3.1Å; Y590-I594 PolarHBondContact O-N 3.48Å; Y590-L628 HydrophobicContact CD2-CD1 4.35Å; Y590-L628 HydrophobicContact CD2-CD2 3.54Å; Y590-L628 HydrophobicContact CD2-CG 4.45Å; Y590-L628 HydrophobicContact CE2-CD1 4.07Å; Y590-L628 HydrophobicContact CE2-CD2 3.54Å; Y590-L628 HydrophobicContact CE2-CG 4.1Å; Y590-L632 HydrophobicContact CE2-CD1 4.11Å; Y590-L632 WeakPolarHBondContact OH-CD1 3.23Å
591	F	97.4	Very high	94.5	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-42.2	169.6	-90	-98.9	0	0	0	111.1	Y362 A587 I594 I595 Y625 L628 T629 L632	Y362-F591 HydrophobicContact CD2-CB 3.67Å; Y362-F591 HydrophobicContact CE2-CB 3.63Å; A587-F591 VanDerWaalsContact O-CB 3.31Å; A587-F591 WeakPolarHBondContact O-CB 3.46Å; A587-F591 VanDerWaalsContact O-CD2 3.22Å; A587-F591 WeakPolarHBondContact O-CD2 3.41Å; A587-F591 PolarHBondContact O-N 3.13Å; A587-F591 VanDerWaalsContact O-N 3.12Å; F591-I594 PolarHBondContact O-N 2.97Å; F591-I595 WeakPolarHBondContact O-CD1 3.3Å; F591-I595 VanDerWaalsContact O-CG1 3.25Å; F591-I595 WeakPolarHBondContact O-CG1 3.03Å; F591-I595 PolarHBondContact O-N 2.88Å; F591-Y625 AromaticContact CD1-CD2 3.8Å; F591-Y625 HydrophobicContact CD1-CD2 3.8Å; F591-Y625 AromaticContact CD1-CE2 3.7Å; F591-Y625 HydrophobicContact CD1-CE2 3.7Å; F591-Y625 HydrophobicContact CE1-CD2 4.09Å; F591-Y625 AromaticContact CE1-CE2 3.95Å; F591-Y625 HydrophobicContact CE1-CE2 3.95Å; F591-L628 HydrophobicContact CD1-CD2 3.89Å; F591-L628 HydrophobicContact CD2-CD2 3.7Å; F591-L628 HydrophobicContact CE1-CD2 3.91Å; F591-L628 HydrophobicContact CE1-CG 4.28Å; F591-L628 HydrophobicContact CE2-CD2 3.74Å; F591-L628 HydrophobicContact CE2-CG 4.11Å; F591-L628 HydrophobicContact CG-CD2 3.8Å; F591-L628 HydrophobicContact CZ-CD2 3.84Å; F591-L628 HydrophobicContact CZ-CG 3.96Å; F591-T629 WeakPolarHBondContact CE1-OG1 3.07Å; F591-L632 HydrophobicContact CE2-CD1 4.03Å; F591-L632 HydrophobicContact CZ-CD1 4.34Å
592	G	96.1	Very high	94.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-48.1	174.5	0	0	0	0	0	112	S67 Y362 P588 I589 Y590 I594 I595 D596	S67-G592 WeakPolarHBondContact CB-O 3.44Å; Y362-G592 VanDerWaalsContact OH-CA 3.31Å; Y362-G592 WeakPolarHBondContact OH-CA 3.28Å; P588-G592 PolarHBondContact O-N 2.82Å; I589-G592 PolarHBondContact O-N 2.83Å; Y590-G592 VanDerWaalsContact C-N 3.32Å; G592-I594 VanDerWaalsContact C-N 3.33Å; G592-I594 PolarHBondContact O-N 3.42Å; G592-I595 WeakPolarHBondContact O-CB 3.25Å; G592-I595 PolarHBondContact O-N 3.08Å; G592-D596 VanDerWaalsContact O-CG 3.31Å; G592-D596 PolarHBondContact O-N 2.91Å
593	A	96.7	Very high	93.9	Very high	41 Å²	41	27.8 Å²	27.8	34%	0.339	15%	0.151	S	C	.	.	H	α-helix	trans	-59.1	-41.8	177.4	0	0	0	0	0	112.5	I589 Y590 D596 T597	I589-A593 PolarHBondContact O-N 3.4Å; Y590-A593 PolarHBondContact O-N 3.23Å; A593-D596 WeakPolarHBondContact O-CB 3.36Å; A593-D596 PolarHBondContact O-N 3.11Å; A593-T597 WeakPolarHBondContact O-CG2 3.3Å; A593-T597 PolarHBondContact O-N 2.02Å
594	I	96.8	Very high	93.2	Very high	50 Å²	50	32.5 Å²	32.5	26%	0.256	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-42	176.7	-73.3	-165.8	0	0	0	111.5	Y590 F591 G592 D596 T597 S624 L628	Y590-I594 WeakPolarHBondContact O-CB 3.44Å; Y590-I594 WeakPolarHBondContact O-CG1 3.1Å; Y590-I594 PolarHBondContact O-N 3.48Å; F591-I594 PolarHBondContact O-N 2.97Å; G592-I594 VanDerWaalsContact C-N 3.33Å; G592-I594 PolarHBondContact O-N 3.42Å; I594-D596 VanDerWaalsContact C-N 3.28Å; I594-D596 PolarHBondContact O-N 2.96Å; I594-T597 PolarHBondContact O-N 3.03Å; I594-T597 PolarHBondContact O-OG1 3.22Å; I594-S624 VanDerWaalsContact CG2-CB 3.48Å; I594-L628 HydrophobicContact CD1-CB 4.25Å; I594-L628 HydrophobicContact CD1-CD1 4.08Å; I594-L628 HydrophobicContact CD1-CD2 3.52Å; I594-L628 HydrophobicContact CD1-CG 4.15Å; I594-L628 HydrophobicContact CG1-CD2 4.35Å
595	I	96.1	Very high	92.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-44.6	175.5	-70.7	163.1	0	0	0	110.3	Y362 F591 G592 T597 T598 Y616 Y621 Y625	Y362-I595 HydrophobicContact CD1-CD1 3.63Å; Y362-I595 HydrophobicContact CD2-CD1 3.94Å; Y362-I595 HydrophobicContact CE1-CD1 4.2Å; Y362-I595 HydrophobicContact CE2-CD1 4.46Å; Y362-I595 HydrophobicContact CG-CD1 3.47Å; Y362-I595 VanDerWaalsContact CG-CD1 3.47Å; F591-I595 WeakPolarHBondContact O-CD1 3.3Å; F591-I595 VanDerWaalsContact O-CG1 3.25Å; F591-I595 WeakPolarHBondContact O-CG1 3.03Å; F591-I595 PolarHBondContact O-N 2.88Å; G592-I595 WeakPolarHBondContact O-CB 3.25Å; G592-I595 PolarHBondContact O-N 3.08Å; I595-T597 VanDerWaalsContact C-N 3.26Å; I595-T597 PolarHBondContact O-N 3.43Å; I595-T598 PolarHBondContact O-N 2.94Å; I595-T598 PolarHBondContact O-OG1 3.46Å; I595-Y616 HydrophobicContact CG2-CD1 4.33Å; I595-Y616 HydrophobicContact CG2-CE1 3.65Å; I595-Y616 WeakPolarHBondContact O-CE1 3.32Å; I595-Y621 HydrophobicContact CD1-CE2 4.29Å; I595-Y621 WeakPolarHBondContact CD1-OH 3.31Å; I595-Y621 HydrophobicContact CG1-CE2 3.8Å; I595-Y621 HydrophobicContact CG2-CD1 4.47Å; I595-Y621 HydrophobicContact CG2-CE1 3.69Å; I595-Y621 HydrophobicContact CG2-CE2 4.36Å; I595-Y625 HydrophobicContact CD1-CD2 4.29Å; I595-Y625 HydrophobicContact CG1-CD2 4.43Å
596	D	95.4	Very high	91.1	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.064	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-32.4	179.4	-72.8	-24.4	0	0	0	113.1	P66 S67 Y68 G592 A593 I594 T598 C599 W602	P66-D596 WeakPolarHBondContact CB-OD2 3.37Å; S67-D596 WeakPolarHBondContact CA-OD2 3.49Å; S67-D596 WeakPolarHBondContact CB-OD1 3.46Å; S67-D596 VanDerWaalsContact N-CG 3.34Å; S67-D596 PolarHBondContact N-OD1 3.37Å; S67-D596 PolarHBondContact N-OD2 2.9Å; S67-D596 PolarHBondContact OG-OD1 3.21Å; Y68-D596 PolarHBondContact N-OD2 3.43Å; G592-D596 VanDerWaalsContact O-CG 3.31Å; G592-D596 PolarHBondContact O-N 2.91Å; A593-D596 WeakPolarHBondContact O-CB 3.36Å; A593-D596 PolarHBondContact O-N 3.11Å; I594-D596 VanDerWaalsContact C-N 3.28Å; I594-D596 PolarHBondContact O-N 2.96Å; D596-T598 PolarHBondContact O-N 2.84Å; D596-T598 VanDerWaalsContact O-N 3.11Å; D596-C599 VanDerWaalsContact O-CB 3.28Å; D596-C599 WeakPolarHBondContact O-CB 3.33Å; D596-C599 PolarHBondContact O-N 3.06Å; D596-C599 VanDerWaalsContact O-N 3.11Å; D596-W602 HydrophobicContact CB-CH2 3.73Å; D596-W602 HydrophobicContact CB-CZ2 4.22Å; D596-W602 WeakPolarHBondContact O-CZ2 3.09Å
597	T	94.7	Very high	89.8	Confident	110 Å²	110	44.3 Å²	44.3	68%	0.675	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.7	175.9	69.5	0	0	0	0	113.8	A593 I594 I595	A593-T597 WeakPolarHBondContact O-CG2 3.3Å; A593-T597 PolarHBondContact O-N 2.02Å; I594-T597 PolarHBondContact O-N 3.03Å; I594-T597 PolarHBondContact O-OG1 3.22Å; I595-T597 VanDerWaalsContact C-N 3.26Å; I595-T597 PolarHBondContact O-N 3.43Å
598	T	94.4	Very high	88.5	Confident	6 Å²	6	46 Å²	46	4%	0.037	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.4	-178.9	71.6	0	0	0	0	112.9	I595 D596 L600 Y616 N617 A620	I595-T598 PolarHBondContact O-N 2.94Å; I595-T598 PolarHBondContact O-OG1 3.46Å; D596-T598 PolarHBondContact O-N 2.84Å; D596-T598 VanDerWaalsContact O-N 3.11Å; T598-L600 PolarHBondContact O-N 3.26Å; T598-Y616 WeakPolarHBondContact O-CA 3.06Å; T598-Y616 WeakPolarHBondContact OG1-CD1 3.4Å; T598-N617 PolarHBondContact O-N 3.31Å; T598-A620 HydrophobicContact CG2-CB 3.86Å
599	C	92.8	Very high	87.6	Confident	17 Å²	17	48.3 Å²	48.3	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.1	178.7	-172.5	0	0	0	0	111.5	D596 K601 W602 C613 Y616	D596-C599 VanDerWaalsContact O-CB 3.28Å; D596-C599 WeakPolarHBondContact O-CB 3.33Å; D596-C599 PolarHBondContact O-N 3.06Å; D596-C599 VanDerWaalsContact O-N 3.11Å; C599-K601 PolarHBondContact SG-O 3.44Å; C599-K601 VanDerWaalsContact SG-O 3.35Å; C599-W602 HydrophobicContact CB-CD2 4.14Å; C599-W602 HydrophobicContact CB-CH2 4.17Å; C599-W602 HydrophobicContact CB-CZ2 3.61Å; C599-W602 VanDerWaalsContact SG-CD2 3.55Å; C599-C613 WeakPolarHBondContact CA-SG 3.32Å; C599-C613 HydrophobicContact CB-CB 3.9Å; C599-C613 WeakPolarHBondContact CB-SG 3.39Å; C599-C613 WeakPolarHBondContact SG-CB 3.25Å; C599-C613 CovalentContact SG-SG 2.03Å; C599-C613 PolarHBondContact SG-SG 3.35Å; C599-Y616 HydrophobicContact CB-CD1 4.22Å; C599-Y616 HydrophobicContact CB-CE1 4.15Å
600	L	89.5	Confident	86.8	Confident	41 Å²	41	50.7 Å²	50.7	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-35.6	175.5	-67.7	177.4	0	0	0	112	V442 T443 Y454 T598 I615 N617	V442-L600 HydrophobicContact CG1-CB 3.94Å; V442-L600 HydrophobicContact CG1-CD1 4.36Å; T443-L600 HydrophobicContact CG2-CD1 3.68Å; Y454-L600 HydrophobicContact CD1-CD2 3.85Å; Y454-L600 HydrophobicContact CE1-CD2 3.34Å; T598-L600 PolarHBondContact O-N 3.26Å; L600-I615 HydrophobicContact CB-CG2 3.88Å; L600-I615 PolarHBondContact N-O 3.23Å; L600-N617 HydrophobicContact CD1-CB 3.94Å; L600-N617 HydrophobicContact CD2-CB 3.91Å; L600-N617 HydrophobicContact CG-CB 3.86Å
601	K	88.2	Confident	86.3	Confident	26 Å²	26	47.8 Å²	47.8	11%	0.113	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	109.7	-179.6	-174.8	66	171.5	-167.6	0	110.7	S471 W474 C599 R614 I615	S471-K601 PolarHBondContact O-NZ 2.69Å; W474-K601 HydrophobicContact CE3-CG 3.77Å; W474-K601 HydrophobicContact CZ3-CB 4.22Å; W474-K601 HydrophobicContact CZ3-CG 3.89Å; C599-K601 PolarHBondContact SG-O 3.44Å; C599-K601 VanDerWaalsContact SG-O 3.35Å; K601-R614 HydrophobicContact CB-CB 4.39Å; K601-R614 HydrophobicContact CG-CB 4.28Å; K601-R614 PolarHBondContact O-N 3.02Å; K601-I615 HydrophobicContact CB-CG2 3.55Å; K601-I615 PolarHBondContact N-O 3.42Å
602	W	89.1	Confident	86	Confident	79 Å²	79	47.9 Å²	47.9	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	140.5	171	-69.6	103.7	0	0	0	111.1	P66 D596 C599 I610 G611 C613	P66-W602 HydrophobicContact CB-CH2 4.25Å; P66-W602 HydrophobicContact CB-CZ3 4.06Å; D596-W602 HydrophobicContact CB-CH2 3.73Å; D596-W602 HydrophobicContact CB-CZ2 4.22Å; D596-W602 WeakPolarHBondContact O-CZ2 3.09Å; C599-W602 HydrophobicContact CB-CD2 4.14Å; C599-W602 HydrophobicContact CB-CH2 4.17Å; C599-W602 HydrophobicContact CB-CZ2 3.61Å; C599-W602 VanDerWaalsContact SG-CD2 3.55Å; W602-I610 HydrophobicContact CB-CG2 4.03Å; W602-I610 HydrophobicContact CD2-CG2 3.32Å; W602-I610 HydrophobicContact CE3-CG2 3.17Å; W602-I610 HydrophobicContact CG-CG2 3.72Å; W602-I610 HydrophobicContact CH2-CG2 4.32Å; W602-I610 HydrophobicContact CZ2-CG2 4.47Å; W602-I610 HydrophobicContact CZ3-CG2 3.71Å; W602-G611 VanDerWaalsContact CE3-O 3.23Å; W602-G611 WeakPolarHBondContact CZ3-O 3.31Å; W602-C613 HydrophobicContact CE3-CB 4.21Å; W602-C613 HydrophobicContact CZ3-CB 4.2Å
603	G	84.1	Confident	85.8	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	158	158.7	0	0	0	0	0	110.5	G611 A612	G603-G611 WeakPolarHBondContact O-CA 3.23Å; G603-G611 PolarHBondContact O-N 3.36Å; G603-A612 WeakPolarHBondContact CA-O 3.42Å; G603-A612 PolarHBondContact N-O 3.19Å
604	Q	79.9	Confident	85.5	Confident	99 Å²	99	47.7 Å²	47.7	46%	0.463	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.9	178.2	-172.1	168.5	-19.1	0	0	109.8	G609	Q604-G609 WeakPolarHBondContact CA-O 3.32Å
605	K	75.4	Confident	85.2	Confident	78 Å²	78	46 Å²	46	34%	0.339	25%	0.246	S	C	.	.			trans	-70.6	154.8	177.8	-64.2	178.3	179.9	179.8	0	110.7	D64 C607 G608 G609 I610	D64-K605 WeakPolarHBondContact O-CE 3.4Å; D64-K605 WeakPolarHBondContact OD2-CG 3.43Å; K605-C607 VanDerWaalsContact C-N 3.26Å; K605-C607 PolarHBondContact O-N 3.28Å; K605-G608 PolarHBondContact O-N 3.07Å; K605-G609 PolarHBondContact N-O 3.45Å; K605-I610 WeakPolarHBondContact CE-O 3.49Å
606	R	66.7	Low	85	Confident	187 Å²	187	46.4 Å²	46.4	71%	0.706	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.9	179	-69.9	-174.9	-177.9	-161.1	-5.5	113.5	E126	E126-R606 IonicContact OE2-CZ 2.71Å; E126-R606 IonicContact OE2-NH1 2.66Å; E126-R606 IonicContact OE2-NH2 3.19Å; E126-R606 PolarHBondContact OE2-NH2 3.41Å
607	C	67.7	Low	84.8	Confident	64 Å²	64	46.8 Å²	46.8	43%	0.432	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	21.1	178.1	-69.2	0	0	0	0	113.8	C164 K605	C164-C607 VanDerWaalsContact CA-SG 3.59Å; C164-C607 HydrophobicContact CB-CB 4.02Å; C164-C607 WeakPolarHBondContact CB-SG 3.37Å; C164-C607 WeakPolarHBondContact SG-CA 3.42Å; C164-C607 WeakPolarHBondContact SG-CB 3.5Å; C164-C607 CovalentContact SG-SG 2.06Å; C164-C607 PolarHBondContact SG-SG 2.82Å; K605-C607 VanDerWaalsContact C-N 3.26Å; K605-C607 PolarHBondContact O-N 3.28Å
608	G	67.7	Low	84.6	Confident	37 Å²	37	42 Å²	42	38%	0.381	22%	0.22	S	C	.	.	S	Bend	trans	82.6	161.1	-176.9	0	0	0	0	0	113.6	K605	K605-G608 PolarHBondContact O-N 3.07Å
609	G	76.8	Confident	84.4	Confident	47 Å²	47	44 Å²	44	49%	0.485	24%	0.235	S	C	.	.	S	Bend	trans	103.1	166.8	-174.5	0	0	0	0	0	113.8	Q604 K605	Q604-G609 WeakPolarHBondContact CA-O 3.32Å; K605-G609 PolarHBondContact N-O 3.45Å
610	I	81.9	Confident	84.4	Confident	104 Å²	104	44.8 Å²	44.8	53%	0.533	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.1	-174.7	-61.2	173.5	0	0	0	110.1	W602 K605	W602-I610 HydrophobicContact CB-CG2 4.03Å; W602-I610 HydrophobicContact CD2-CG2 3.32Å; W602-I610 HydrophobicContact CE3-CG2 3.17Å; W602-I610 HydrophobicContact CG-CG2 3.72Å; W602-I610 HydrophobicContact CH2-CG2 4.32Å; W602-I610 HydrophobicContact CZ2-CG2 4.47Å; W602-I610 HydrophobicContact CZ3-CG2 3.71Å; K605-I610 WeakPolarHBondContact CE-O 3.49Å
611	G	86	Confident	84.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-153.1	179.4	0	0	0	0	0	114.2	D64 W602 G603	D64-G611 VanDerWaalsContact O-CA 3.3Å; D64-G611 WeakPolarHBondContact O-CA 3.31Å; D64-G611 WeakPolarHBondContact OD1-CA 3.22Å; D64-G611 VanDerWaalsContact OD2-CA 3.23Å; D64-G611 WeakPolarHBondContact OD2-CA 3.26Å; W602-G611 VanDerWaalsContact CE3-O 3.23Å; W602-G611 WeakPolarHBondContact CZ3-O 3.31Å; G603-G611 WeakPolarHBondContact O-CA 3.23Å; G603-G611 PolarHBondContact O-N 3.36Å
612	A	89.9	Confident	84.9	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	142.9	171	0	0	0	0	0	111	E60 D64 G603	E60-A612 HydrophobicContact CB-CB 4.39Å; E60-A612 WeakPolarHBondContact O-CB 2.87Å; D64-A612 PolarHBondContact OD1-N 2.96Å; G603-A612 WeakPolarHBondContact CA-O 3.42Å; G603-A612 PolarHBondContact N-O 3.19Å
613	C	92.3	Very high	85.2	Confident	15 Å²	15	44.2 Å²	44.2	10%	0.101	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.3	176.6	-170.4	0	0	0	0	111.5	C599 W602 I615 Y616	C599-C613 WeakPolarHBondContact CA-SG 3.32Å; C599-C613 HydrophobicContact CB-CB 3.9Å; C599-C613 WeakPolarHBondContact CB-SG 3.39Å; C599-C613 WeakPolarHBondContact SG-CB 3.25Å; C599-C613 CovalentContact SG-SG 2.03Å; C599-C613 PolarHBondContact SG-SG 3.35Å; W602-C613 HydrophobicContact CE3-CB 4.21Å; W602-C613 HydrophobicContact CZ3-CB 4.2Å; C613-I615 PolarHBondContact SG-O 3.13Å; C613-Y616 HydrophobicContact CB-CD2 4.46Å; C613-Y616 HydrophobicContact CB-CE1 3.8Å; C613-Y616 HydrophobicContact CB-CE2 3.69Å; C613-Y616 VanDerWaalsContact CB-OH 3.3Å; C613-Y616 WeakPolarHBondContact CB-OH 3.49Å
614	R	90	Very high	85.7	Confident	22 Å²	22	46 Å²	46	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-34.5	180	-57.5	-58.7	-173.3	-161.8	-6.2	113	D64 W474 K601	D64-R614 IonicContact OD1-NH2 3.53Å; W474-R614 HydrophobicContact CB-CG 4.14Å; W474-R614 HydrophobicContact CD2-CB 3.67Å; W474-R614 HydrophobicContact CD2-CG 3.98Å; W474-R614 HydrophobicContact CE3-CB 4.12Å; W474-R614 HydrophobicContact CG-CB 3.97Å; W474-R614 HydrophobicContact CG-CG 3.76Å; W474-R614 HydrophobicContact CH2-CB 4.43Å; W474-R614 HydrophobicContact CZ2-CB 4.01Å; W474-R614 HydrophobicContact CZ3-CB 4.49Å; K601-R614 HydrophobicContact CB-CB 4.39Å; K601-R614 HydrophobicContact CG-CB 4.28Å; K601-R614 PolarHBondContact O-N 3.02Å
615	I	90.4	Very high	86.4	Confident	13 Å²	13	41.4 Å²	41.4	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	138.8	177.2	-166.3	171.2	0	0	0	111	A437 V439 V442 W474 L600 K601 C613	A437-I615 HydrophobicContact CB-CD1 4.08Å; V439-I615 HydrophobicContact CG2-CD1 3.65Å; V442-I615 HydrophobicContact CG1-CG2 4.14Å; W474-I615 HydrophobicContact CH2-CB 3.99Å; W474-I615 HydrophobicContact CH2-CD1 4.47Å; W474-I615 HydrophobicContact CH2-CG2 3.94Å; W474-I615 HydrophobicContact CZ2-CB 4.41Å; W474-I615 HydrophobicContact CZ3-CG2 4.33Å; L600-I615 HydrophobicContact CB-CG2 3.88Å; L600-I615 PolarHBondContact N-O 3.23Å; K601-I615 HydrophobicContact CB-CG2 3.55Å; K601-I615 PolarHBondContact N-O 3.42Å; C613-I615 PolarHBondContact SG-O 3.13Å
616	Y	91.9	Very high	87.4	Confident	11 Å²	11	38.2 Å²	38.2	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	154.4	179	-65.9	-91.2	0	0	0	111.1	S67 K365 Q369 I595 T598 C599 C613 T618 Y621	S67-Y616 PolarHBondContact OG-OH 3.14Å; K365-Y616 WeakPolarHBondContact CE-OH 3.47Å; K365-Y616 PolarHBondContact NZ-OH 3.38Å; Q369-Y616 HydrophobicContact CB-CD2 4.33Å; Q369-Y616 HydrophobicContact CG-CD2 3.99Å; Q369-Y616 HydrophobicContact CG-CE2 4.09Å; I595-Y616 HydrophobicContact CG2-CD1 4.33Å; I595-Y616 HydrophobicContact CG2-CE1 3.65Å; I595-Y616 WeakPolarHBondContact O-CE1 3.32Å; T598-Y616 WeakPolarHBondContact O-CA 3.06Å; T598-Y616 WeakPolarHBondContact OG1-CD1 3.4Å; C599-Y616 HydrophobicContact CB-CD1 4.22Å; C599-Y616 HydrophobicContact CB-CE1 4.15Å; C613-Y616 HydrophobicContact CB-CD2 4.46Å; C613-Y616 HydrophobicContact CB-CE1 3.8Å; C613-Y616 HydrophobicContact CB-CE2 3.69Å; C613-Y616 VanDerWaalsContact CB-OH 3.3Å; C613-Y616 WeakPolarHBondContact CB-OH 3.49Å; Y616-T618 PolarHBondContact O-N 2.85Å; Y616-Y621 HydrophobicContact CD1-CD1 4.05Å; Y616-Y621 HydrophobicContact CD1-CE1 4.22Å; Y616-Y621 HydrophobicContact CD2-CD1 4.48Å; Y616-Y621 HydrophobicContact CD2-CE1 4.33Å; Y616-Y621 AromaticContact CG-CD1 3.86Å; Y616-Y621 HydrophobicContact CG-CD1 3.86Å; Y616-Y621 HydrophobicContact CG-CE1 4.09Å
617	N	91.9	Very high	88.8	Confident	21 Å²	21	30.1 Å²	30.1	11%	0.112	20%	0.195	C	C	.	.			trans	-75.3	112.2	168	-174.7	-44.1	0	0	0	108.8	Y454 T598 L600 S619 A620 Y621	Y454-N617 PolarHBondContact OH-ND2 3.42Å; Y454-N617 VanDerWaalsContact OH-ND2 3.13Å; T598-N617 PolarHBondContact O-N 3.31Å; L600-N617 HydrophobicContact CD1-CB 3.94Å; L600-N617 HydrophobicContact CD2-CB 3.91Å; L600-N617 HydrophobicContact CG-CB 3.86Å; N617-S619 VanDerWaalsContact C-N 3.31Å; N617-S619 PolarHBondContact O-N 3.24Å; N617-S619 PolarHBondContact OD1-N 3.14Å; N617-S619 VanDerWaalsContact OD1-N 3.12Å; N617-A620 HydrophobicContact CB-CB 3.97Å; N617-A620 PolarHBondContact O-N 3.24Å; N617-A620 PolarHBondContact OD1-N 3.2Å; N617-A620 VanDerWaalsContact OD1-N 3.12Å; N617-Y621 VanDerWaalsContact O-CB 3.23Å; N617-Y621 WeakPolarHBondContact O-CB 3.43Å; N617-Y621 PolarHBondContact O-N 3.35Å
618	T	90.7	Very high	90.1	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-38.3	-173	-51.7	0	0	0	0	112.2	H370 C434 N436 Y616 R622	H370-T618 WeakPolarHBondContact CE1-CG2 3.37Å; H370-T618 PolarHBondContact CE1-O 3.46Å; H370-T618 VanDerWaalsContact ND1-CG2 3.25Å; H370-T618 WeakPolarHBondContact ND1-CG2 3.44Å; H370-T618 PolarHBondContact ND1-O 3.19Å; C434-T618 VanDerWaalsContact O-CG2 3.23Å; C434-T618 WeakPolarHBondContact O-CG2 3.48Å; N436-T618 WeakPolarHBondContact OD1-CA 3.08Å; N436-T618 WeakPolarHBondContact OD1-CB 3.49Å; N436-T618 PolarHBondContact OD1-N 2.87Å; N436-T618 PolarHBondContact OD1-OG1 3.24Å; Y616-T618 PolarHBondContact O-N 2.85Å; T618-R622 WeakPolarHBondContact O-CB 3.11Å; T618-R622 PolarHBondContact O-N 3.22Å
619	S	90.6	Very high	91.4	Very high	48 Å²	48	27.1 Å²	27.1	34%	0.336	17%	0.166	S	C	.	.	H	α-helix	trans	-74	-47.8	179	-67.5	0	0	0	0	111.9	N617 Y621 R622 I623	N617-S619 VanDerWaalsContact C-N 3.31Å; N617-S619 PolarHBondContact O-N 3.24Å; N617-S619 PolarHBondContact OD1-N 3.14Å; N617-S619 VanDerWaalsContact OD1-N 3.12Å; S619-Y621 VanDerWaalsContact C-N 3.34Å; S619-Y621 PolarHBondContact O-N 3.22Å; S619-R622 PolarHBondContact O-N 2.68Å; S619-I623 WeakPolarHBondContact O-CG1 3.34Å; S619-I623 PolarHBondContact O-N 3.12Å
620	A	92.8	Very high	92.3	Very high	34 Å²	34	25.2 Å²	25.2	28%	0.281	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-41.4	176.6	0	0	0	0	0	111	T598 N617 R622 I623 S624	T598-A620 HydrophobicContact CG2-CB 3.86Å; N617-A620 HydrophobicContact CB-CB 3.97Å; N617-A620 PolarHBondContact O-N 3.24Å; N617-A620 PolarHBondContact OD1-N 3.2Å; N617-A620 VanDerWaalsContact OD1-N 3.12Å; A620-R622 PolarHBondContact O-N 3.31Å; A620-I623 PolarHBondContact O-N 2.77Å; A620-S624 VanDerWaalsContact O-CB 3.28Å; A620-S624 WeakPolarHBondContact O-CB 3.33Å; A620-S624 PolarHBondContact O-N 3.37Å; A620-S624 PolarHBondContact O-OG 2.86Å; A620-S624 VanDerWaalsContact O-OG 3.05Å
621	Y	93.7	Very high	93	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-53.3	174.5	-162.1	141.8	0	0	0	110	Y366 Q369 I595 Y616 N617 S619 I623 S624 Y625	Y366-Y621 AromaticContact CD2-CD2 3.79Å; Y366-Y621 HydrophobicContact CD2-CD2 3.79Å; Y366-Y621 AromaticContact CD2-CE2 3.62Å; Y366-Y621 HydrophobicContact CD2-CE2 3.62Å; Y366-Y621 HydrophobicContact CE2-CD2 4.14Å; Y366-Y621 HydrophobicContact CE2-CE2 4.41Å; Q369-Y621 HydrophobicContact CB-CE1 4.01Å; Q369-Y621 HydrophobicContact CG-CE1 4.36Å; I595-Y621 HydrophobicContact CD1-CE2 4.29Å; I595-Y621 WeakPolarHBondContact CD1-OH 3.31Å; I595-Y621 HydrophobicContact CG1-CE2 3.8Å; I595-Y621 HydrophobicContact CG2-CD1 4.47Å; I595-Y621 HydrophobicContact CG2-CE1 3.69Å; I595-Y621 HydrophobicContact CG2-CE2 4.36Å; Y616-Y621 HydrophobicContact CD1-CD1 4.05Å; Y616-Y621 HydrophobicContact CD1-CE1 4.22Å; Y616-Y621 HydrophobicContact CD2-CD1 4.48Å; Y616-Y621 HydrophobicContact CD2-CE1 4.33Å; Y616-Y621 AromaticContact CG-CD1 3.86Å; Y616-Y621 HydrophobicContact CG-CD1 3.86Å; Y616-Y621 HydrophobicContact CG-CE1 4.09Å; N617-Y621 VanDerWaalsContact O-CB 3.23Å; N617-Y621 WeakPolarHBondContact O-CB 3.43Å; N617-Y621 PolarHBondContact O-N 3.35Å; S619-Y621 VanDerWaalsContact C-N 3.34Å; S619-Y621 PolarHBondContact O-N 3.22Å; Y621-I623 VanDerWaalsContact C-N 3.33Å; Y621-I623 PolarHBondContact O-N 2.64Å; Y621-S624 PolarHBondContact O-N 2.04Å; Y621-Y625 HydrophobicContact CD2-CG 4.38Å; Y621-Y625 HydrophobicContact CE2-CD1 4.44Å; Y621-Y625 HydrophobicContact CE2-CD2 4.43Å; Y621-Y625 HydrophobicContact CE2-CG 4.01Å; Y621-Y625 WeakPolarHBondContact O-CB 3.43Å; Y621-Y625 PolarHBondContact O-N 3.41Å
622	R	94.1	Very high	93.5	Very high	34 Å²	34	24.7 Å²	24.7	13%	0.128	15%	0.148	C	C	.	.	H	α-helix	trans	-53.8	-50.4	178.9	-174	175.1	73.9	-108.7	2	111.4	F430 S433 T618 S619 A620 L626	F430-R622 PolarHBondContact O-NE 3.32Å; S433-R622 VanDerWaalsContact CB-CZ 3.48Å; T618-R622 WeakPolarHBondContact O-CB 3.11Å; T618-R622 PolarHBondContact O-N 3.22Å; S619-R622 PolarHBondContact O-N 2.68Å; A620-R622 PolarHBondContact O-N 3.31Å; R622-L626 HydrophobicContact CG-CD1 3.69Å; R622-L626 VanDerWaalsContact O-CB 3.27Å; R622-L626 WeakPolarHBondContact O-CB 3.49Å; R622-L626 WeakPolarHBondContact O-CG 3.46Å; R622-L626 PolarHBondContact O-N 3.33Å; R622-L626 VanDerWaalsContact O-N 3.1Å
623	I	94.6	Very high	93.7	Very high	98 Å²	98	25.2 Å²	25.2	50%	0.503	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-50.1	-176.6	-66.9	169.2	0	0	0	111	S619 A620 Y621 G627	S619-I623 WeakPolarHBondContact O-CG1 3.34Å; S619-I623 PolarHBondContact O-N 3.12Å; A620-I623 PolarHBondContact O-N 2.77Å; Y621-I623 VanDerWaalsContact C-N 3.33Å; Y621-I623 PolarHBondContact O-N 2.64Å; I623-G627 WeakPolarHBondContact O-CA 3.39Å; I623-G627 PolarHBondContact O-N 3.34Å
624	S	95.1	Very high	93.8	Very high	39 Å²	39	27.1 Å²	27.1	27%	0.273	16%	0.16	S	C	.	.	H	α-helix	trans	-69.2	-44.2	-175.3	-61.5	0	0	0	0	112.6	I594 A620 Y621 L628	I594-S624 VanDerWaalsContact CG2-CB 3.48Å; A620-S624 VanDerWaalsContact O-CB 3.28Å; A620-S624 WeakPolarHBondContact O-CB 3.33Å; A620-S624 PolarHBondContact O-N 3.37Å; A620-S624 PolarHBondContact O-OG 2.86Å; A620-S624 VanDerWaalsContact O-OG 3.05Å; Y621-S624 PolarHBondContact O-N 2.04Å; S624-L628 VanDerWaalsContact O-CB 3.24Å; S624-L628 WeakPolarHBondContact O-CB 3.15Å; S624-L628 PolarHBondContact O-N 3.13Å
625	Y	95.3	Very high	94.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-49.8	-177.6	177.3	-112.6	0	0	0	113	M359 K363 Y366 F591 I595 Y621 T629	M359-Y625 WeakPolarHBondContact CA-OH 3.3Å; M359-Y625 PolarHBondContact O-OH 3.17Å; K363-Y625 PolarHBondContact N-OH 3.45Å; Y366-Y625 HydrophobicContact CD1-CE1 4.32Å; Y366-Y625 AromaticContact CD2-CD1 3.56Å; Y366-Y625 HydrophobicContact CD2-CD1 3.56Å; Y366-Y625 AromaticContact CD2-CE1 3.93Å; Y366-Y625 HydrophobicContact CD2-CE1 3.93Å; Y366-Y625 HydrophobicContact CD2-CG 4.34Å; Y366-Y625 AromaticContact CE2-CD1 3.95Å; Y366-Y625 HydrophobicContact CE2-CD1 3.95Å; Y366-Y625 AromaticContact CG-CD1 3.93Å; Y366-Y625 HydrophobicContact CG-CD1 3.93Å; Y366-Y625 AromaticContact CG-CE1 3.79Å; Y366-Y625 HydrophobicContact CG-CE1 3.79Å; F591-Y625 AromaticContact CD1-CD2 3.8Å; F591-Y625 HydrophobicContact CD1-CD2 3.8Å; F591-Y625 AromaticContact CD1-CE2 3.7Å; F591-Y625 HydrophobicContact CD1-CE2 3.7Å; F591-Y625 HydrophobicContact CE1-CD2 4.09Å; F591-Y625 AromaticContact CE1-CE2 3.95Å; F591-Y625 HydrophobicContact CE1-CE2 3.95Å; I595-Y625 HydrophobicContact CD1-CD2 4.29Å; I595-Y625 HydrophobicContact CG1-CD2 4.43Å; Y621-Y625 HydrophobicContact CD2-CG 4.38Å; Y621-Y625 HydrophobicContact CE2-CD1 4.44Å; Y621-Y625 HydrophobicContact CE2-CD2 4.43Å; Y621-Y625 HydrophobicContact CE2-CG 4.01Å; Y621-Y625 WeakPolarHBondContact O-CB 3.43Å; Y621-Y625 PolarHBondContact O-N 3.41Å; Y625-T629 PolarHBondContact O-N 3.01Å; Y625-T629 PolarHBondContact O-OG1 2.97Å
626	L	95.4	Very high	94.2	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.058	17%	0.174	C	C	.	.	H	α-helix	trans	-74.1	-36.5	178.2	-60.4	177.6	0	0	0	111.3	F429 F430 R622 T629 L630	F429-L626 HydrophobicContact CB-CD1 3.59Å; F429-L626 HydrophobicContact CB-CD2 4.32Å; F429-L626 HydrophobicContact CD2-CD2 4.49Å; F430-L626 HydrophobicContact CD1-CD1 4.43Å; F430-L626 HydrophobicContact CE1-CB 3.91Å; F430-L626 HydrophobicContact CE2-CB 4.4Å; F430-L626 HydrophobicContact CZ-CB 3.85Å; R622-L626 HydrophobicContact CG-CD1 3.69Å; R622-L626 VanDerWaalsContact O-CB 3.27Å; R622-L626 WeakPolarHBondContact O-CB 3.49Å; R622-L626 WeakPolarHBondContact O-CG 3.46Å; R622-L626 PolarHBondContact O-N 3.33Å; R622-L626 VanDerWaalsContact O-N 3.1Å; L626-T629 WeakPolarHBondContact O-CB 3.21Å; L626-T629 PolarHBondContact O-N 3.04Å; L626-L630 WeakPolarHBondContact O-CB 3.35Å; L626-L630 WeakPolarHBondContact O-CG 3.46Å; L626-L630 PolarHBondContact O-N 3.15Å
627	G	95.8	Very high	94.3	Very high	17 Å²	17	30 Å²	30	18%	0.175	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-53.9	175	0	0	0	0	0	111.4	I623 T629 L630 S631	I623-G627 WeakPolarHBondContact O-CA 3.39Å; I623-G627 PolarHBondContact O-N 3.34Å; G627-T629 VanDerWaalsContact C-N 3.32Å; G627-T629 PolarHBondContact O-N 3.13Å; G627-L630 PolarHBondContact O-N 2.69Å; G627-L630 VanDerWaalsContact O-N 3.13Å; G627-S631 WeakPolarHBondContact O-CB 3.38Å; G627-S631 PolarHBondContact O-N 2.86Å; G627-S631 PolarHBondContact O-OG 3.12Å
628	L	96.3	Very high	94.4	Very high	30 Å²	30	33.5 Å²	33.5	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-45.8	176.3	177.2	63.2	0	0	0	112.3	Y590 F591 I594 S624 L630 S631 L632	Y590-L628 HydrophobicContact CD2-CD1 4.35Å; Y590-L628 HydrophobicContact CD2-CD2 3.54Å; Y590-L628 HydrophobicContact CD2-CG 4.45Å; Y590-L628 HydrophobicContact CE2-CD1 4.07Å; Y590-L628 HydrophobicContact CE2-CD2 3.54Å; Y590-L628 HydrophobicContact CE2-CG 4.1Å; F591-L628 HydrophobicContact CD1-CD2 3.89Å; F591-L628 HydrophobicContact CD2-CD2 3.7Å; F591-L628 HydrophobicContact CE1-CD2 3.91Å; F591-L628 HydrophobicContact CE1-CG 4.28Å; F591-L628 HydrophobicContact CE2-CD2 3.74Å; F591-L628 HydrophobicContact CE2-CG 4.11Å; F591-L628 HydrophobicContact CG-CD2 3.8Å; F591-L628 HydrophobicContact CZ-CD2 3.84Å; F591-L628 HydrophobicContact CZ-CG 3.96Å; I594-L628 HydrophobicContact CD1-CB 4.25Å; I594-L628 HydrophobicContact CD1-CD1 4.08Å; I594-L628 HydrophobicContact CD1-CD2 3.52Å; I594-L628 HydrophobicContact CD1-CG 4.15Å; I594-L628 HydrophobicContact CG1-CD2 4.35Å; S624-L628 VanDerWaalsContact O-CB 3.24Å; S624-L628 WeakPolarHBondContact O-CB 3.15Å; S624-L628 PolarHBondContact O-N 3.13Å; L628-L630 VanDerWaalsContact C-N 3.29Å; L628-L630 PolarHBondContact O-N 3.18Å; L628-S631 PolarHBondContact O-N 2.89Å; L628-L632 HydrophobicContact CD1-CD1 4.18Å; L628-L632 HydrophobicContact CD1-CG 4.31Å; L628-L632 HydrophobicContact CG-CD1 4.27Å; L628-L632 WeakPolarHBondContact O-CG 3.45Å; L628-L632 PolarHBondContact O-N 2.84Å; L628-L632 VanDerWaalsContact O-N 3.11Å
629	T	94.9	Very high	94.4	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.043	21%	0.207	C	C	.	.	H	α-helix	trans	-55.9	-46.6	177.8	-58.3	0	0	0	0	110.9	S355 M359 F591 Y625 L626 G627 R633	S355-T629 VanDerWaalsContact OG-CG2 3.31Å; S355-T629 WeakPolarHBondContact OG-CG2 3.11Å; S355-T629 PolarHBondContact OG-O 3.3Å; M359-T629 HydrophobicContact CB-CG2 4.14Å; M359-T629 HydrophobicContact CE-CG2 4.47Å; M359-T629 HydrophobicContact CG-CG2 4.31Å; F591-T629 WeakPolarHBondContact CE1-OG1 3.07Å; Y625-T629 PolarHBondContact O-N 3.01Å; Y625-T629 PolarHBondContact O-OG1 2.97Å; L626-T629 WeakPolarHBondContact O-CB 3.21Å; L626-T629 PolarHBondContact O-N 3.04Å; G627-T629 VanDerWaalsContact C-N 3.32Å; G627-T629 PolarHBondContact O-N 3.13Å; T629-R633 WeakPolarHBondContact O-CG 3.46Å; T629-R633 PolarHBondContact O-N 3.31Å
630	L	95.3	Very high	94.4	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-76.9	-40.4	-176.6	-72.5	165.1	0	0	0	112.6	Y423 M427 F430 L626 G627 L628 L632 R633 T634	Y423-L630 HydrophobicContact CD2-CD2 3.53Å; Y423-L630 HydrophobicContact CE2-CB 4.29Å; Y423-L630 HydrophobicContact CE2-CD2 3.67Å; Y423-L630 HydrophobicContact CG-CD2 4.42Å; M427-L630 HydrophobicContact CE-CB 4.19Å; M427-L630 HydrophobicContact CE-CD1 3.95Å; M427-L630 HydrophobicContact CE-CD2 4.15Å; M427-L630 HydrophobicContact CE-CG 4.34Å; M427-L630 HydrophobicContact SD-CD1 3.66Å; F430-L630 HydrophobicContact CD2-CD1 4.06Å; F430-L630 HydrophobicContact CE2-CD1 3.21Å; F430-L630 HydrophobicContact CZ-CD1 3.92Å; L626-L630 WeakPolarHBondContact O-CB 3.35Å; L626-L630 WeakPolarHBondContact O-CG 3.46Å; L626-L630 PolarHBondContact O-N 3.15Å; G627-L630 PolarHBondContact O-N 2.69Å; G627-L630 VanDerWaalsContact O-N 3.13Å; L628-L630 VanDerWaalsContact C-N 3.29Å; L628-L630 PolarHBondContact O-N 3.18Å; L630-L632 VanDerWaalsContact C-N 3.3Å; L630-L632 PolarHBondContact O-N 2.89Å; L630-R633 CarbonylContact O-C 3.5Å; L630-R633 WeakPolarHBondContact O-CA 3.18Å; L630-R633 PolarHBondContact O-N 3.25Å; L630-T634 PolarHBondContact O-N 3.42Å; L630-T634 PolarHBondContact O-OG1 3.1Å
631	S	96.2	Very high	94.2	Very high	66 Å²	66	36.9 Å²	36.9	46%	0.462	21%	0.207	S	C	.	.	H	α-helix	trans	-55.7	-45.4	174.9	-62.1	0	0	0	0	111.5	G627 L628 R633 T634 I635	G627-S631 WeakPolarHBondContact O-CB 3.38Å; G627-S631 PolarHBondContact O-N 2.86Å; G627-S631 PolarHBondContact O-OG 3.12Å; L628-S631 PolarHBondContact O-N 2.89Å; S631-R633 VanDerWaalsContact C-N 3.33Å; S631-R633 PolarHBondContact O-N 3.2Å; S631-T634 PolarHBondContact O-N 2.93Å; S631-I635 VanDerWaalsContact O-CG1 3.31Å; S631-I635 WeakPolarHBondContact O-CG1 3.3Å; S631-I635 PolarHBondContact O-N 3.08Å
632	L	95.7	Very high	93.9	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-43.1	174.6	-70.7	169.7	0	0	0	111.5	I351 N354 Y590 F591 L628 L630 I635 S636	I351-L632 HydrophobicContact CG2-CB 4.25Å; I351-L632 HydrophobicContact CG2-CD2 4.42Å; I351-L632 WeakPolarHBondContact CG2-O 3.32Å; N354-L632 HydrophobicContact CB-CD1 4.4Å; Y590-L632 HydrophobicContact CE2-CD1 4.11Å; Y590-L632 WeakPolarHBondContact OH-CD1 3.23Å; F591-L632 HydrophobicContact CE2-CD1 4.03Å; F591-L632 HydrophobicContact CZ-CD1 4.34Å; L628-L632 HydrophobicContact CD1-CD1 4.18Å; L628-L632 HydrophobicContact CD1-CG 4.31Å; L628-L632 HydrophobicContact CG-CD1 4.27Å; L628-L632 WeakPolarHBondContact O-CG 3.45Å; L628-L632 PolarHBondContact O-N 2.84Å; L628-L632 VanDerWaalsContact O-N 3.11Å; L630-L632 VanDerWaalsContact C-N 3.3Å; L630-L632 PolarHBondContact O-N 2.89Å; L632-I635 PolarHBondContact O-N 2.76Å; L632-S636 PolarHBondContact O-N 3.26Å
633	R	94.3	Very high	93.5	Very high	14 Å²	14	38.4 Å²	38.4	5%	0.053	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-38.9	177.2	-65	-175.3	92.3	-174.9	4.7	112.3	S355 S419 Y423 T629 L630 S631 S636 F637	S355-R633 VanDerWaalsContact OG-CG 3.32Å; S355-R633 WeakPolarHBondContact OG-CG 3.39Å; S419-R633 PolarHBondContact OG-NH2 2.78Å; Y423-R633 HydrophobicContact CD2-CB 3.98Å; Y423-R633 HydrophobicContact CE2-CB 4.41Å; T629-R633 WeakPolarHBondContact O-CG 3.46Å; T629-R633 PolarHBondContact O-N 3.31Å; L630-R633 CarbonylContact O-C 3.5Å; L630-R633 WeakPolarHBondContact O-CA 3.18Å; L630-R633 PolarHBondContact O-N 3.25Å; S631-R633 VanDerWaalsContact C-N 3.33Å; S631-R633 PolarHBondContact O-N 3.2Å; R633-S636 WeakPolarHBondContact O-CB 3.02Å; R633-S636 PolarHBondContact O-N 3.38Å; R633-F637 HydrophobicContact CB-CE2 4.33Å; R633-F637 WeakPolarHBondContact O-CD2 3.44Å; R633-F637 PolarHBondContact O-N 2.99Å
634	T	95.1	Very high	93.1	Very high	55 Å²	55	36 Å²	36	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-47.3	175.3	-51.4	0	0	0	0	110.9	Y423 L630 S631 S636 F637 V638	Y423-T634 WeakPolarHBondContact CE2-OG1 3.04Å; Y423-T634 PolarHBondContact OH-OG1 3.47Å; L630-T634 PolarHBondContact O-N 3.42Å; L630-T634 PolarHBondContact O-OG1 3.1Å; S631-T634 PolarHBondContact O-N 2.93Å; T634-S636 VanDerWaalsContact C-N 3.28Å; T634-S636 PolarHBondContact O-N 2.03Å; T634-F637 PolarHBondContact O-N 2.83Å; T634-F637 VanDerWaalsContact O-N 3.1Å; T634-V638 WeakPolarHBondContact O-CG2 3.37Å; T634-V638 PolarHBondContact O-N 3.28Å
635	I	95.6	Very high	92.7	Very high	86 Å²	86	38.4 Å²	38.4	44%	0.441	22%	0.219	S	C	.	.	H	α-helix	trans	-58.2	-43.6	175.6	-65.6	164.8	0	0	0	110.3	I351 S631 L632 F637 V638 I639	I351-I635 HydrophobicContact CD1-CG2 4.05Å; S631-I635 VanDerWaalsContact O-CG1 3.31Å; S631-I635 WeakPolarHBondContact O-CG1 3.3Å; S631-I635 PolarHBondContact O-N 3.08Å; L632-I635 PolarHBondContact O-N 2.76Å; I635-F637 VanDerWaalsContact C-N 3.34Å; I635-F637 PolarHBondContact O-N 2.99Å; I635-V638 PolarHBondContact O-N 3.42Å; I635-I639 HydrophobicContact CG2-CD1 3.89Å; I635-I639 WeakPolarHBondContact O-CG1 3.34Å; I635-I639 PolarHBondContact O-N 2.82Å; I635-I639 VanDerWaalsContact O-N 3.11Å
636	S	94.3	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-42.2	175.8	171.4	0	0	0	0	112.7	Q352 L632 R633 T634 I639 C640	Q352-S636 WeakPolarHBondContact CG-OG 3.42Å; Q352-S636 PolarHBondContact NE2-OG 3.15Å; L632-S636 PolarHBondContact O-N 3.26Å; R633-S636 WeakPolarHBondContact O-CB 3.02Å; R633-S636 PolarHBondContact O-N 3.38Å; T634-S636 VanDerWaalsContact C-N 3.28Å; T634-S636 PolarHBondContact O-N 2.03Å; S636-I639 PolarHBondContact O-N 2.96Å; S636-C640 PolarHBondContact O-N 3.41Å; S636-C640 PolarHBondContact O-SG 2.04Å
637	F	93.1	Very high	91.8	Very high	21 Å²	21	41 Å²	41	9%	0.092	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-37.1	178.6	-69.5	-53.9	0	0	0	112.6	F416 L420 Y423 R633 T634 I635 I639 C640 I641	F416-F637 HydrophobicContact CD2-CD1 4.11Å; F416-F637 HydrophobicContact CD2-CE1 4.31Å; F416-F637 AromaticContact CE2-CD1 3.59Å; F416-F637 HydrophobicContact CE2-CD1 3.59Å; F416-F637 HydrophobicContact CE2-CE1 4.14Å; F416-F637 HydrophobicContact CZ-CD1 4.3Å; L420-F637 HydrophobicContact CB-CE1 4.47Å; L420-F637 HydrophobicContact CB-CZ 4.44Å; L420-F637 HydrophobicContact CD1-CZ 4.49Å; Y423-F637 HydrophobicContact CD1-CE2 4.25Å; Y423-F637 HydrophobicContact CD2-CD2 4.49Å; Y423-F637 AromaticContact CD2-CE2 3.84Å; Y423-F637 HydrophobicContact CD2-CE2 3.84Å; Y423-F637 AromaticContact CG-CE2 3.67Å; Y423-F637 HydrophobicContact CG-CE2 3.67Å; Y423-F637 HydrophobicContact CG-CZ 4.49Å; R633-F637 HydrophobicContact CB-CE2 4.33Å; R633-F637 WeakPolarHBondContact O-CD2 3.44Å; R633-F637 PolarHBondContact O-N 2.99Å; T634-F637 PolarHBondContact O-N 2.83Å; T634-F637 VanDerWaalsContact O-N 3.1Å; I635-F637 VanDerWaalsContact C-N 3.34Å; I635-F637 PolarHBondContact O-N 2.99Å; F637-I639 VanDerWaalsContact C-N 3.3Å; F637-I639 PolarHBondContact O-N 3.47Å; F637-C640 WeakPolarHBondContact O-CB 3.13Å; F637-C640 PolarHBondContact O-N 3.21Å; F637-I641 PolarHBondContact O-N 2.02Å
638	V	92.9	Very high	91.2	Very high	93 Å²	93	42.9 Å²	42.9	56%	0.564	24%	0.243	S	C	*	.	H	α-helix	trans	-59.9	-43.5	174	174	0	0	0	0	110.5	T634 I635 C640 I641 P642	T634-V638 WeakPolarHBondContact O-CG2 3.37Å; T634-V638 PolarHBondContact O-N 3.28Å; I635-V638 PolarHBondContact O-N 3.42Å; V638-C640 VanDerWaalsContact C-N 3.33Å; V638-C640 PolarHBondContact O-N 3.07Å; V638-I641 PolarHBondContact O-N 2.86Å; V638-P642 WeakPolarHBondContact O-CD 3.28Å
639	I	92.6	Very high	90.7	Very high	47 Å²	47	49.1 Å²	49.1	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-71.6	-26.6	178.1	-60.5	166.7	0	0	0	111.9	I344 C347 V348 I351 I635 S636 F637 I641 P642	I344-I639 HydrophobicContact CG2-CG2 4.07Å; C347-I639 HydrophobicContact CB-CG2 4.48Å; V348-I639 HydrophobicContact CG2-CB 4.04Å; V348-I639 HydrophobicContact CG2-CG2 3.69Å; I351-I639 HydrophobicContact CD1-CD1 3.47Å; I351-I639 VanDerWaalsContact CD1-CD1 3.47Å; I635-I639 HydrophobicContact CG2-CD1 3.89Å; I635-I639 WeakPolarHBondContact O-CG1 3.34Å; I635-I639 PolarHBondContact O-N 2.82Å; I635-I639 VanDerWaalsContact O-N 3.11Å; S636-I639 PolarHBondContact O-N 2.96Å; F637-I639 VanDerWaalsContact C-N 3.3Å; F637-I639 PolarHBondContact O-N 3.47Å; I639-I641 VanDerWaalsContact C-N 3.29Å; I639-I641 PolarHBondContact O-N 2.88Å; I639-P642 VanDerWaalsContact O-CD 3.25Å; I639-P642 WeakPolarHBondContact O-CD 3.03Å; I639-P642 VanDerWaalsContact O-CG 3.29Å; I639-P642 WeakPolarHBondContact O-CG 3.42Å
640	C	89.6	Confident	90.1	Very high	13 Å²	13	52.7 Å²	52.7	9%	0.088	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-31.5	174.5	-73	0	0	0	0	113.2	V348 F416 S636 F637 V638 G643 F644	V348-C640 WeakPolarHBondContact CG1-SG 3.4Å; F416-C640 HydrophobicContact CD2-CB 4.3Å; F416-C640 HydrophobicContact CE2-CB 4.11Å; S636-C640 PolarHBondContact O-N 3.41Å; S636-C640 PolarHBondContact O-SG 2.04Å; F637-C640 WeakPolarHBondContact O-CB 3.13Å; F637-C640 PolarHBondContact O-N 3.21Å; V638-C640 VanDerWaalsContact C-N 3.33Å; V638-C640 PolarHBondContact O-N 3.07Å; C640-G643 PolarHBondContact O-N 3.48Å; C640-F644 HydrophobicContact CB-CD2 4.31Å; C640-F644 HydrophobicContact CB-CE2 4.43Å; C640-F644 WeakPolarHBondContact O-CD2 3.34Å; C640-F644 PolarHBondContact O-N 3.29Å
641	I	88	Confident	89.4	Confident	101 Å²	101	54.2 Å²	54.2	52%	0.518	29%	0.289	S	S	.	.	H	α-helix	trans	-56.4	-57.3	-176.8	-62.8	170.3	0	0	0	112.2	F637 V638 I639 G643 F644 I645	F637-I641 PolarHBondContact O-N 2.02Å; V638-I641 PolarHBondContact O-N 2.86Å; I639-I641 VanDerWaalsContact C-N 3.29Å; I639-I641 PolarHBondContact O-N 2.88Å; I641-G643 PolarHBondContact O-N 2.81Å; I641-F644 PolarHBondContact O-N 3.37Å; I641-I645 HydrophobicContact CG2-CD1 4.04Å; I641-I645 WeakPolarHBondContact O-CG1 3.02Å; I641-I645 PolarHBondContact O-N 2.57Å; I641-I645 VanDerWaalsContact O-N 3.14Å
642	P	88.1	Confident	88.8	Confident	56 Å²	56	57 Å²	57	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-32.7	177	24.3	-34.4	0	0	0	112.4	V638 I639 I645 L646	V638-P642 WeakPolarHBondContact O-CD 3.28Å; I639-P642 VanDerWaalsContact O-CD 3.25Å; I639-P642 WeakPolarHBondContact O-CD 3.03Å; I639-P642 VanDerWaalsContact O-CG 3.29Å; I639-P642 WeakPolarHBondContact O-CG 3.42Å; P642-I645 PolarHBondContact O-N 3Å; P642-L646 WeakPolarHBondContact O-CB 3.4Å; P642-L646 WeakPolarHBondContact O-CG 3.33Å; P642-L646 PolarHBondContact O-N 2.69Å
643	G	85.9	Confident	88.1	Confident	13 Å²	13	60.2 Å²	60.2	13%	0.134	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-44.1	175.4	0	0	0	0	0	113	C640 I641 L647	C640-G643 PolarHBondContact O-N 3.48Å; I641-G643 PolarHBondContact O-N 2.81Å; G643-L647 VanDerWaalsContact O-CB 3.25Å; G643-L647 WeakPolarHBondContact O-CB 3.36Å; G643-L647 PolarHBondContact O-N 3.1Å
644	F	86.1	Confident	87.4	Confident	47 Å²	47	64.5 Å²	64.5	21%	0.206	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-38.9	175.5	-89.4	-73.1	0	0	0	112.7	M409 A412 K413 F416 C640 I641 S648	M409-F644 HydrophobicContact SD-CD1 4.33Å; M409-F644 HydrophobicContact SD-CE1 4.4Å; A412-F644 HydrophobicContact CB-CE1 3.94Å; A412-F644 HydrophobicContact CB-CZ 4.24Å; K413-F644 HydrophobicContact CG-CE1 4.24Å; F416-F644 HydrophobicContact CB-CE2 3.85Å; F416-F644 HydrophobicContact CB-CZ 3.69Å; F416-F644 AromaticContact CD2-CE2 3.65Å; F416-F644 HydrophobicContact CD2-CE2 3.65Å; F416-F644 HydrophobicContact CD2-CZ 4.36Å; F416-F644 HydrophobicContact CE2-CE2 4.31Å; F416-F644 AromaticContact CG-CE2 3.77Å; F416-F644 HydrophobicContact CG-CE2 3.77Å; F416-F644 HydrophobicContact CG-CZ 4.05Å; C640-F644 HydrophobicContact CB-CD2 4.31Å; C640-F644 HydrophobicContact CB-CE2 4.43Å; C640-F644 WeakPolarHBondContact O-CD2 3.34Å; C640-F644 PolarHBondContact O-N 3.29Å; I641-F644 PolarHBondContact O-N 3.37Å; F644-S648 VanDerWaalsContact O-CB 3.32Å; F644-S648 WeakPolarHBondContact O-CB 3.22Å; F644-S648 PolarHBondContact O-N 3.1Å; F644-S648 PolarHBondContact O-OG 2.98Å
645	I	86.6	Confident	86.6	Confident	91 Å²	91	68.3 Å²	68.3	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-48.8	177.6	-65.7	167.3	0	0	0	110.3	I641 P642 S648 R649	I641-I645 HydrophobicContact CG2-CD1 4.04Å; I641-I645 WeakPolarHBondContact O-CG1 3.02Å; I641-I645 PolarHBondContact O-N 2.57Å; I641-I645 VanDerWaalsContact O-N 3.14Å; P642-I645 PolarHBondContact O-N 3Å; I645-S648 PolarHBondContact O-N 3.36Å; I645-R649 WeakPolarHBondContact O-CG 3.29Å; I645-R649 PolarHBondContact O-N 3.18Å
646	L	86.4	Confident	85.8	Confident	55 Å²	55	68.9 Å²	68.9	29%	0.288	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-44.8	178.9	-74.3	166.3	0	0	0	111.9	P340 V341 I344 P642 S648 R649 Q650	P340-L646 HydrophobicContact CB-CD1 4.45Å; V341-L646 HydrophobicContact CG2-CB 4.19Å; I344-L646 HydrophobicContact CD1-CD1 3.41Å; I344-L646 VanDerWaalsContact CD1-CD1 3.41Å; P642-L646 WeakPolarHBondContact O-CB 3.4Å; P642-L646 WeakPolarHBondContact O-CG 3.33Å; P642-L646 PolarHBondContact O-N 2.69Å; L646-S648 VanDerWaalsContact C-N 3.31Å; L646-S648 PolarHBondContact O-N 2.95Å; L646-R649 PolarHBondContact O-N 3.49Å; L646-Q650 VanDerWaalsContact O-CG 3.26Å; L646-Q650 WeakPolarHBondContact O-CG 3.41Å; L646-Q650 PolarHBondContact O-N 3.16Å
647	L	84.5	Confident	84.7	Confident	13 Å²	13	74 Å²	74	7%	0.068	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-41.8	176.4	-178.6	68.7	0	0	0	111.7	V341 M409 A412 F558 G643 Q650 L651	V341-L647 HydrophobicContact CG1-CD1 4.37Å; M409-L647 HydrophobicContact CE-CB 4.33Å; M409-L647 HydrophobicContact CE-CD2 3.62Å; M409-L647 HydrophobicContact CE-CG 3.68Å; M409-L647 HydrophobicContact SD-CD2 4.23Å; A412-L647 HydrophobicContact CB-CD2 4.31Å; F558-L647 HydrophobicContact CE2-CD1 4.04Å; F558-L647 HydrophobicContact CE2-CD2 3.52Å; F558-L647 HydrophobicContact CE2-CG 4.44Å; F558-L647 HydrophobicContact CZ-CD1 4.29Å; F558-L647 HydrophobicContact CZ-CD2 3.88Å; G643-L647 VanDerWaalsContact O-CB 3.25Å; G643-L647 WeakPolarHBondContact O-CB 3.36Å; G643-L647 PolarHBondContact O-N 3.1Å; L647-Q650 PolarHBondContact O-N 3.17Å; L647-L651 HydrophobicContact CG-CD1 4.36Å; L647-L651 WeakPolarHBondContact O-CG 3.39Å; L647-L651 PolarHBondContact O-N 3.31Å; L647-L651 VanDerWaalsContact O-N 3.08Å
648	S	84.4	Confident	83.6	Confident	58 Å²	58	81.1 Å²	81.1	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-38.2	179.4	-56.3	0	0	0	0	111.9	F644 I645 L646 K652	F644-S648 VanDerWaalsContact O-CB 3.32Å; F644-S648 WeakPolarHBondContact O-CB 3.22Å; F644-S648 PolarHBondContact O-N 3.1Å; F644-S648 PolarHBondContact O-OG 2.98Å; I645-S648 PolarHBondContact O-N 3.36Å; L646-S648 VanDerWaalsContact C-N 3.31Å; L646-S648 PolarHBondContact O-N 2.95Å; S648-K652 WeakPolarHBondContact O-CB 3.31Å; S648-K652 PolarHBondContact O-N 3.29Å; S648-K652 VanDerWaalsContact O-N 3.09Å
649	R	85.2	Confident	82	Confident	161 Å²	161	80.8 Å²	80.8	61%	0.608	41%	0.406	S	S	*	.	H	α-helix	trans	-63.3	-48.3	174.5	-77.9	-178.5	164.8	176.3	-5	112.1	I645 L646 L651 K652 E653	I645-R649 WeakPolarHBondContact O-CG 3.29Å; I645-R649 PolarHBondContact O-N 3.18Å; L646-R649 PolarHBondContact O-N 3.49Å; R649-L651 VanDerWaalsContact C-N 3.35Å; R649-L651 PolarHBondContact O-N 3.4Å; R649-K652 WeakPolarHBondContact O-CB 3.45Å; R649-K652 PolarHBondContact O-N 3.12Å; R649-K652 VanDerWaalsContact O-N 3.13Å; R649-E653 WeakPolarHBondContact O-CG 3.49Å; R649-E653 PolarHBondContact O-N 3.3Å
650	Q	82	Confident	80	Confident	82 Å²	82	83.7 Å²	83.7	38%	0.383	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-41.9	-180	-69.1	-81.4	-78	0	0	112.3	L646 L647 K652 E653 E654	L646-Q650 VanDerWaalsContact O-CG 3.26Å; L646-Q650 WeakPolarHBondContact O-CG 3.41Å; L646-Q650 PolarHBondContact O-N 3.16Å; L647-Q650 PolarHBondContact O-N 3.17Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; Q650-K652 PolarHBondContact O-N 3.03Å; Q650-E653 PolarHBondContact NE2-OE2 2.86Å; Q650-E653 PolarHBondContact O-N 2.95Å; Q650-E654 WeakPolarHBondContact O-CG 3.49Å; Q650-E654 PolarHBondContact O-N 2.93Å
651	L	81.1	Confident	77.8	Confident	39 Å²	39	88.4 Å²	88.4	20%	0.204	46%	0.457	C	S	.	.	H	α-helix	trans	-66.7	-35.9	175.9	-70.7	176.2	0	0	0	112.4	M409 L647 R649 E654 E655	M409-L651 HydrophobicContact CB-CD1 3.91Å; M409-L651 HydrophobicContact CE-CD1 3.52Å; L647-L651 HydrophobicContact CG-CD1 4.36Å; L647-L651 WeakPolarHBondContact O-CG 3.39Å; L647-L651 PolarHBondContact O-N 3.31Å; L647-L651 VanDerWaalsContact O-N 3.08Å; R649-L651 VanDerWaalsContact C-N 3.35Å; R649-L651 PolarHBondContact O-N 3.4Å; L651-E654 PolarHBondContact O-N 3.14Å; L651-E655 WeakPolarHBondContact O-CG 3.46Å; L651-E655 PolarHBondContact O-N 2.87Å
652	K	83	Confident	75.7	Confident	124 Å²	124	93.5 Å²	93.5	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-67.5	-43	176.6	-163.7	-173.3	-178	-138.1	0	111.5	S648 R649 Q650 E654 E655 E656	S648-K652 WeakPolarHBondContact O-CB 3.31Å; S648-K652 PolarHBondContact O-N 3.29Å; S648-K652 VanDerWaalsContact O-N 3.09Å; R649-K652 WeakPolarHBondContact O-CB 3.45Å; R649-K652 PolarHBondContact O-N 3.12Å; R649-K652 VanDerWaalsContact O-N 3.13Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; Q650-K652 PolarHBondContact O-N 3.03Å; K652-E654 VanDerWaalsContact C-N 3.34Å; K652-E654 PolarHBondContact O-N 3.04Å; K652-E655 PolarHBondContact O-N 2.84Å; K652-E656 WeakPolarHBondContact CE-OE1 3.11Å; K652-E656 IonicContact NZ-OE1 2.96Å; K652-E656 PolarHBondContact NZ-OE1 3.27Å; K652-E656 WeakPolarHBondContact O-CB 3.25Å; K652-E656 WeakPolarHBondContact O-CG 3.35Å; K652-E656 PolarHBondContact O-N 3.28Å
653	E	81.9	Confident	73.4	Confident	96 Å²	96	94.1 Å²	94.1	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-42	174.1	-72.3	165.3	175.7	0	0	111.2	R649 Q650 E656 T657	R649-E653 WeakPolarHBondContact O-CG 3.49Å; R649-E653 PolarHBondContact O-N 3.3Å; Q650-E653 PolarHBondContact NE2-OE2 2.86Å; Q650-E653 PolarHBondContact O-N 2.95Å; E653-E656 PolarHBondContact O-N 2.98Å; E653-T657 WeakPolarHBondContact O-CB 3.02Å; E653-T657 PolarHBondContact O-N 2.79Å; E653-T657 PolarHBondContact O-OG1 3Å
654	E	78.4	Confident	71	Confident	104 Å²	104	97.8 Å²	97.8	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-36.9	175.1	-77.4	-173.3	-177.6	0	0	113.4	Q650 L651 K652 K658	Q650-E654 WeakPolarHBondContact O-CG 3.49Å; Q650-E654 PolarHBondContact O-N 2.93Å; L651-E654 PolarHBondContact O-N 3.14Å; K652-E654 VanDerWaalsContact C-N 3.34Å; K652-E654 PolarHBondContact O-N 3.04Å; E654-K658 WeakPolarHBondContact O-CB 3.15Å; E654-K658 VanDerWaalsContact O-CG 3.31Å; E654-K658 WeakPolarHBondContact O-CG 3.35Å; E654-K658 PolarHBondContact O-N 3.24Å
655	E	79.5	Confident	68.9	Low	134 Å²	134	102.1 Å²	102.1	63%	0.626	55%	0.553	S	S	*	*	H	α-helix	trans	-69.4	-44	174.7	-78.1	178.5	178	0	0	111.5	L651 K652 T657 K658 S659	L651-E655 WeakPolarHBondContact O-CG 3.46Å; L651-E655 PolarHBondContact O-N 2.87Å; K652-E655 PolarHBondContact O-N 2.84Å; E655-T657 VanDerWaalsContact C-N 3.35Å; E655-T657 PolarHBondContact O-N 2.78Å; E655-K658 PolarHBondContact O-N 3.09Å; E655-S659 WeakPolarHBondContact O-CB 3.5Å; E655-S659 PolarHBondContact O-N 3.27Å; E655-S659 PolarHBondContact O-OG 3.4Å
656	E	77.2	Confident	66.7	Low	99 Å²	99	103.6 Å²	103.6	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-61.4	-43	176.8	-75.2	174.7	-173.4	0	0	110.7	K652 E653 K658 S659	K652-E656 WeakPolarHBondContact CE-OE1 3.11Å; K652-E656 IonicContact NZ-OE1 2.96Å; K652-E656 PolarHBondContact NZ-OE1 3.27Å; K652-E656 WeakPolarHBondContact O-CB 3.25Å; K652-E656 WeakPolarHBondContact O-CG 3.35Å; K652-E656 PolarHBondContact O-N 3.28Å; E653-E656 PolarHBondContact O-N 2.98Å; E656-K658 VanDerWaalsContact C-N 3.34Å; E656-K658 PolarHBondContact O-N 2.95Å; E656-S659 WeakPolarHBondContact CA-OG 3.06Å; E656-S659 PolarHBondContact O-N 3.3Å; E656-S659 PolarHBondContact O-OG 2.64Å
657	T	72.8	Confident	64.2	Low	108 Å²	108	108.2 Å²	108.2	66%	0.663	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-33.4	177.3	-45.9	0	0	0	0	112.8	E653 E655	E653-T657 WeakPolarHBondContact O-CB 3.02Å; E653-T657 PolarHBondContact O-N 2.79Å; E653-T657 PolarHBondContact O-OG1 3Å; E655-T657 VanDerWaalsContact C-N 3.35Å; E655-T657 PolarHBondContact O-N 2.78Å
658	K	68.4	Low	62.2	Low	169 Å²	169	111.9 Å²	111.9	74%	0.735	63%	0.633	S	S	*	*	H	α-helix	trans	-78.6	-20.2	175.9	-75.6	170.9	-175.9	160.6	0	113.4	E654 E655 E656	E654-K658 WeakPolarHBondContact O-CB 3.15Å; E654-K658 VanDerWaalsContact O-CG 3.31Å; E654-K658 WeakPolarHBondContact O-CG 3.35Å; E654-K658 PolarHBondContact O-N 3.24Å; E655-K658 PolarHBondContact O-N 3.09Å; E656-K658 VanDerWaalsContact C-N 3.34Å; E656-K658 PolarHBondContact O-N 2.95Å
659	S	60.2	Low	59.9	Low	86 Å²	86	111.9 Å²	111.9	60%	0.601	64%	0.642	S	S	*	*	H	α-helix	trans	-85.9	-8.1	-177.1	71.5	0	0	0	0	114.5	E655 E656 P661	E655-S659 WeakPolarHBondContact O-CB 3.5Å; E655-S659 PolarHBondContact O-N 3.27Å; E655-S659 PolarHBondContact O-OG 3.4Å; E656-S659 WeakPolarHBondContact CA-OG 3.06Å; E656-S659 PolarHBondContact O-N 3.3Å; E656-S659 PolarHBondContact O-OG 2.64Å; S659-P661 VanDerWaalsContact O-CD 3.28Å; S659-P661 WeakPolarHBondContact O-CD 3.46Å
660	V	50	Low	57.7	Low	109 Å²	109	109.7 Å²	109.7	66%	0.661	65%	0.647	S	S	*	*	S	Bend	trans	-76.4	114.6	172	-176.3	0	0	0	0	109.1
661	P	44.5	Very low	55.6	Low	112 Å²	112	113.7 Å²	113.7	73%	0.727	67%	0.665	S	S	*	*			trans	-69.6	136	178.3	-12.6	28.3	0	0	0	110.5	S659 G663	S659-P661 VanDerWaalsContact O-CD 3.28Å; S659-P661 WeakPolarHBondContact O-CD 3.46Å; P661-G663 PolarHBondContact O-N 3.49Å
662	H	42.7	Very low	53.4	Low	208 Å²	208	118.7 Å²	118.7	96%	0.963	69%	0.692	S	S	*	*	S	Bend	trans	-62.2	81	162.8	-92	-54.7	0	0	0	110
663	G	40.1	Very low	51.2	Low	68 Å²	68	119.6 Å²	119.6	70%	0.701	70%	0.698	S	S	*	*			trans	-167.1	43.5	-175	0	0	0	0	0	113	P661	P661-G663 PolarHBondContact O-N 3.49Å
664	A	36.7	Very low	49.1	Very low	90 Å²	90	117.8 Å²	117.8	74%	0.744	70%	0.699	S	S	*	*			trans	-162.4	52.6	163.8	0	0	0	0	0	111	T666	A664-T666 PolarHBondContact O-N 3.27Å
665	V	40.3	Very low	47.2	Very low	138 Å²	138	118 Å²	118	84%	0.836	70%	0.703	S	S	*	*			trans	-93.2	78.2	162.6	-175.7	0	0	0	0	107.7
666	T	42.1	Very low	45.2	Very low	122 Å²	122	120.8 Å²	120.8	75%	0.748	71%	0.708	S	S	*	*			trans	-149.6	82.9	154.6	46.2	0	0	0	0	107.9	A664	A664-T666 PolarHBondContact O-N 3.27Å
667	N	33.1	Very low	43.2	Very low	152 Å²	152	123.8 Å²	123.8	81%	0.813	72%	0.719	S	S	*	*			trans	-175.6	87.9	135.4	-93.5	-9.9	0	0	0	108.1	G669	N667-G669 PolarHBondContact O-N 2.93Å
668	G	41.7	Very low	41.8	Very low	91 Å²	91	125.2 Å²	125.2	94%	0.938	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	122.5	165	0	0	0	0	0	109.1
669	G	36.1	Very low	40.4	Very low	58 Å²	58	124 Å²	124	60%	0.598	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	172.1	-28.8	175.7	0	0	0	0	0	114.3	N667	N667-G669 PolarHBondContact O-N 2.93Å
670	T	39	Very low	39.2	Very low	114 Å²	114	125.6 Å²	125.6	70%	0.699	72%	0.716	S	S	*	*	S	Bend	trans	-103.7	-15.5	-171.2	38.1	0	0	0	0	115.3
671	E	39.4	Very low	38.8	Very low	166 Å²	166	125.4 Å²	125.4	78%	0.776	72%	0.715	S	S	*	*	H	α-helix	trans	-75.9	-25.6	179.1	-114.4	179.2	152.2	0	0	113.6	L675	E671-L675 PolarHBondContact O-N 3.14Å
672	L	35.1	Very low	38.7	Very low	145 Å²	145	124.4 Å²	124.4	76%	0.759	71%	0.707	S	S	*	*	H	α-helix	trans	-81.1	-20.5	-179.2	-155.6	70.9	0	0	0	113.2
673	E	35.2	Very low	38.4	Very low	143 Å²	143	120.8 Å²	120.8	67%	0.668	69%	0.694	S	S	*	*	H	α-helix	trans	-87.2	-24.8	175.6	-78.4	-173.5	148.7	0	0	113.2	K677	E673-K677 PolarHBondContact O-N 3.37Å
674	A	38.9	Very low	38.1	Very low	58 Å²	58	122.8 Å²	122.8	48%	0.479	69%	0.689	S	S	.	*	H	α-helix	trans	-73.7	-44.1	174.7	0	0	0	0	0	111.7	R676 K677 E678	A674-R676 VanDerWaalsContact C-N 3.32Å; A674-R676 PolarHBondContact O-N 3.11Å; A674-K677 PolarHBondContact O-N 3.46Å; A674-E678 PolarHBondContact O-N 2.61Å
675	L	38.9	Very low	38.1	Very low	108 Å²	108	122.2 Å²	122.2	57%	0.565	68%	0.679	S	S	*	*	H	α-helix	trans	-64.6	-34.5	176.1	-81.1	161.9	0	0	0	112.7	E671 K677 E678 E679	E671-L675 PolarHBondContact O-N 3.14Å; L675-K677 VanDerWaalsContact C-N 3.33Å; L675-K677 PolarHBondContact O-N 3.23Å; L675-E678 PolarHBondContact O-N 3.3Å; L675-E679 PolarHBondContact O-N 2.98Å; L675-E679 VanDerWaalsContact O-N 3.17Å
676	R	36.1	Very low	37.9	Very low	193 Å²	193	120.7 Å²	120.7	73%	0.728	67%	0.667	S	S	*	*	H	α-helix	trans	-70.7	-27.4	175.9	-163.3	-179.4	-121.2	176.1	0.4	113	A674 L680	A674-R676 VanDerWaalsContact C-N 3.32Å; A674-R676 PolarHBondContact O-N 3.11Å; R676-L680 PolarHBondContact O-N 2.03Å
677	K	36.3	Very low	37.5	Very low	162 Å²	162	124.5 Å²	124.5	70%	0.704	67%	0.667	S	S	*	*	H	α-helix	trans	-77.3	-33.7	174.8	-95.5	-178.3	175.8	176	0	112.4	E673 A674 L675 V681	E673-K677 PolarHBondContact O-N 3.37Å; A674-K677 PolarHBondContact O-N 3.46Å; L675-K677 VanDerWaalsContact C-N 3.33Å; L675-K677 PolarHBondContact O-N 3.23Å; K677-V681 VanDerWaalsContact O-CG2 3.31Å; K677-V681 WeakPolarHBondContact O-CG2 2.99Å; K677-V681 PolarHBondContact O-N 3.11Å
678	E	43.1	Very low	37.6	Very low	137 Å²	137	120.5 Å²	120.5	64%	0.64	66%	0.656	S	S	*	*	H	α-helix	trans	-72.6	-39.3	176.3	-74.7	-173.9	155.2	0	0	112.3	A674 L675 L680 V681 V682	A674-E678 PolarHBondContact O-N 2.61Å; L675-E678 PolarHBondContact O-N 3.3Å; E678-L680 VanDerWaalsContact C-N 3.33Å; E678-L680 PolarHBondContact O-N 2.73Å; E678-V681 PolarHBondContact O-N 2.88Å; E678-V682 WeakPolarHBondContact O-CG2 3.37Å; E678-V682 PolarHBondContact O-N 2.97Å
679	E	39.1	Very low	37.2	Very low	144 Å²	144	123.7 Å²	123.7	67%	0.673	65%	0.648	S	S	*	*	H	α-helix	trans	-64.6	-34.1	174.1	-81.8	-173.5	150.4	0	0	113	L675 V681 L683	L675-E679 PolarHBondContact O-N 2.98Å; L675-E679 VanDerWaalsContact O-N 3.17Å; E679-V681 VanDerWaalsContact C-N 3.34Å; E679-V681 PolarHBondContact O-N 3.05Å; E679-L683 PolarHBondContact O-N 2.91Å; E679-L683 VanDerWaalsContact O-N 3.16Å
680	L	33.8	Very low	37.1	Very low	119 Å²	119	129.3 Å²	129.3	62%	0.623	66%	0.658	S	S	*	*	H	α-helix	trans	-73	-26	179.2	-139.2	97.2	0	0	0	113.1	R676 E678	R676-L680 PolarHBondContact O-N 2.03Å; E678-L680 VanDerWaalsContact C-N 3.33Å; E678-L680 PolarHBondContact O-N 2.73Å
681	V	43	Very low	36.8	Very low	105 Å²	105	132.1 Å²	132.1	64%	0.636	67%	0.666	S	S	*	*	H	α-helix	trans	-80.3	-35.2	177.3	172.3	0	0	0	0	110.9	K677 E678 E679 S685	K677-V681 VanDerWaalsContact O-CG2 3.31Å; K677-V681 WeakPolarHBondContact O-CG2 2.99Å; K677-V681 PolarHBondContact O-N 3.11Å; E678-V681 PolarHBondContact O-N 2.88Å; E679-V681 VanDerWaalsContact C-N 3.34Å; E679-V681 PolarHBondContact O-N 3.05Å; V681-S685 PolarHBondContact O-N 3.46Å
682	V	41.6	Very low	36.4	Very low	91 Å²	91	130 Å²	130	55%	0.552	66%	0.664	S	S	*	*	H	α-helix	trans	-69.7	-41.1	175.9	177	0	0	0	0	111.2	E678 N684 S685 D686	E678-V682 WeakPolarHBondContact O-CG2 3.37Å; E678-V682 PolarHBondContact O-N 2.97Å; V682-N684 VanDerWaalsContact C-N 3.32Å; V682-N684 PolarHBondContact O-N 3.02Å; V682-S685 PolarHBondContact O-N 2.67Å; V682-D686 PolarHBondContact O-N 3.21Å
683	L	36.3	Very low	36.3	Very low	132 Å²	132	130.8 Å²	130.8	69%	0.691	67%	0.669	S	S	*	*	H	α-helix	trans	-65.4	-30.6	178.9	-122.5	98.4	0	0	0	114	E679	E679-L683 PolarHBondContact O-N 2.91Å; E679-L683 VanDerWaalsContact O-N 3.16Å
684	N	34	Very low	36.1	Very low	110 Å²	110	131.7 Å²	131.7	59%	0.588	68%	0.678	S	S	*	*	H	α-helix	trans	-80.2	-24	178.2	-87.3	-13.4	0	0	0	113.2	V682	V682-N684 VanDerWaalsContact C-N 3.32Å; V682-N684 PolarHBondContact O-N 3.02Å
685	S	36.4	Very low	35.6	Very low	79 Å²	79	134.4 Å²	134.4	55%	0.552	69%	0.694	S	S	*	*	H	α-helix	trans	-76.4	-36.4	176.1	-164.9	0	0	0	0	112.2	V681 V682 A688	V681-S685 PolarHBondContact O-N 3.46Å; V682-S685 PolarHBondContact O-N 2.67Å; S685-A688 PolarHBondContact O-N 2.94Å
686	D	36.2	Very low	35.3	Very low	106 Å²	106	135.6 Å²	135.6	57%	0.567	71%	0.706	S	S	*	*	H	α-helix	trans	-72.7	-27.2	177.4	-79.8	-20.5	0	0	0	112.9	V682	V682-D686 PolarHBondContact O-N 3.21Å
687	R	33.5	Very low	35	Very low	201 Å²	201	133.2 Å²	133.2	76%	0.758	71%	0.708	S	S	*	*	H	α-helix	trans	-77	-24.5	176.2	-145.5	174	-171.9	177	2.1	113.2
688	A	34.8	Very low	34.7	Very low	69 Å²	69	135.8 Å²	135.8	57%	0.57	71%	0.713	S	S	*	*	H	α-helix	trans	-79.4	-24.2	176.7	0	0	0	0	0	113.1	S685	S685-A688 PolarHBondContact O-N 2.94Å
689	M	35.1	Very low	34	Very low	158 Å²	158	137.8 Å²	137.8	78%	0.778	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-11.9	179.6	-125.4	172.3	85.1	0	0	114
690	H	32.7	Very low	33.6	Very low	175 Å²	175	136.4 Å²	136.4	81%	0.81	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	4.6	179.4	-96	-67.2	0	0	0	115
691	M	33	Very low	33.4	Very low	174 Å²	174	139.1 Å²	139.1	86%	0.857	73%	0.733	S	S	*	*	S	Bend	trans	-114	15.8	179.6	-92.1	-156.6	140.9	0	0	115.3
692	T	31.1	Very low	32.9	Very low	122 Å²	122	145.6 Å²	145.6	75%	0.748	76%	0.763	S	S	*	*	S	Bend	trans	-112.7	22.7	-179.3	14.3	0	0	0	0	114.8
693	D	32.7	Very low	32.4	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	77%	0.774	S	S	*	*	S	Bend	trans	-140.2	57.8	176.3	-147.8	12.9	0	0	0	112.1
694	N	32.5	Very low	32.2	Very low	162 Å²	162	149.2 Å²	149.2	87%	0.866	78%	0.778	S	S	*	*			trans	-170.6	99.7	155.1	-133.7	-4.7	0	0	0	111
695	S	27.8	Very low	32.1	Very low	115 Å²	115	151.4 Å²	151.4	80%	0.804	79%	0.788	S	S	*	*			trans	178.4	83.9	154	179	0	0	0	0	110.8
696	T	32.3	Very low	31.9	Very low	133 Å²	133	155.6 Å²	155.6	82%	0.816	80%	0.802	S	S	*	*			trans	-81.6	113.3	141.4	20.1	0	0	0	0	106.8
697	D	29.1	Very low	31.6	Very low	144 Å²	144	158.8 Å²	158.8	77%	0.77	82%	0.817	S	S	*	*				-177.8	151.9	110.1	-118.2	-33.5	0	0	0	113.5
698	R	30.8	Very low	31.5	Very low	215 Å²	215	155.9 Å²	155.9	81%	0.811	82%	0.821	S	S	*	*			trans	-56.6	146.7	177.3	-68	163.4	160	171.4	-5.9	112.5
699	H	28.3	Very low	31.3	Very low	179 Å²	179	162.1 Å²	162.1	83%	0.829	84%	0.839	S	S	*	*				-172.5	137.8	110.7	-105.1	-75.3	0	0	0	113.7
700	T	30.7	Very low	31	Very low	116 Å²	116	162.5 Å²	162.5	71%	0.712	84%	0.843	S	S	*	*			trans	-53.1	144.7	169.6	24.2	0	0	0	0	115
701	Q	29.4	Very low	30.8	Very low	175 Å²	175	161.4 Å²	161.4	82%	0.818	85%	0.846	S	S	*	*				177.1	131.4	107.3	-96.7	-179.4	-7.9	0	0	112.9
702	L	32.2	Very low	30.6	Very low	242 Å²	242	160.3 Å²	160.3	100%	1.267	85%	0.845	S	S	*	*			trans	69.1	0	157	-74.6	153.2	0	0	0	119.5

Retrieved 702 of 702 residues in 190.3 ms (Link to these results)

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