A0A5K4F1S4_SCHMA Loading...

Cullin-5 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1S4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 787 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	35.1	Very low	49.2	Very low	238 Å²	238	132.6 Å²	132.6	100%	1.172	67%	0.67	S	S	*	*				0	31	0	-115.3	178.3	-165.2	0	0	113.1
2	Y	33	Very low	51.7	Low	234 Å²	234	133.8 Å²	133.8	92%	0.918	67%	0.671	S	S	*	*			trans	-127.5	24.1	-174	-91.1	-78.5	0	0	0	114.6
3	V	37.6	Very low	54	Low	132 Å²	132	133.4 Å²	133.4	80%	0.8	67%	0.666	S	S	*	*	S	Bend	trans	-137.5	35.6	177.6	-160.5	0	0	0	0	111.8
4	S	39.9	Very low	56.1	Low	109 Å²	109	129.4 Å²	129.4	76%	0.762	64%	0.639	S	S	*	*	S	Bend	trans	-130.6	11.3	-176.3	-168.5	0	0	0	0	114.6
5	K	41.7	Very low	58.1	Low	209 Å²	209	121.5 Å²	121.5	91%	0.909	60%	0.6	S	S	*	*	S	Bend	trans	-121.7	5.6	-174.3	-112.5	-175.5	179.1	-175.2	0	115.7
6	C	42.1	Very low	59.9	Low	116 Å²	116	118.1 Å²	118.1	78%	0.784	59%	0.59	S	S	*	*	S	Bend	trans	-101.2	12.1	-177.9	-67.8	0	0	0	0	114.5
7	H	52.6	Low	61.5	Low	95 Å²	95	119.2 Å²	119.2	44%	0.44	59%	0.59	S	S	.	*	S	Bend	trans	-116.3	-0.4	-161.3	-67.5	-65.5	0	0	0	116.3
8	E	50.8	Low	62.9	Low	177 Å²	177	112.6 Å²	112.6	83%	0.827	56%	0.557	S	S	*	*	S	Bend	trans	-89.8	-21.2	176.7	-78.5	177.9	151.2	0	0	114.1
9	D	58.7	Low	64.2	Low	86 Å²	86	107.9 Å²	107.9	46%	0.46	54%	0.535	S	S	.	.	S	Bend	trans	-101.8	15.4	-174	-61.2	-21.5	0	0	0	114.8	Y11 E12 Q13	D9-Y11 VanDerWaalsContact C-N 3.35Å; D9-Y11 PolarHBondContact O-N 2.91Å; D9-E12 PolarHBondContact O-N 3.38Å; D9-Q13 HydrophobicContact CB-CG 4.32Å; D9-Q13 WeakPolarHBondContact O-CG 3.25Å; D9-Q13 PolarHBondContact O-N 3.31Å; D9-Q13 VanDerWaalsContact O-N 3.17Å
10	C	71.1	Confident	65.4	Low	20 Å²	20	106.5 Å²	106.5	14%	0.135	53%	0.532	C	S	.	.	H	α-helix	trans	-60.9	-42.2	-172.9	-169.8	0	0	0	0	112.4	R14	C10-R14 WeakPolarHBondContact O-CB 3.13Å; C10-R14 PolarHBondContact O-N 2.81Å
11	Y	78.7	Confident	66.5	Low	43 Å²	43	102.3 Å²	102.3	17%	0.169	51%	0.511	C	S	.	.	H	α-helix	trans	-66.3	-50.3	176	178.5	-100.3	0	0	0	112.3	D9 Q13 R14 W15 I46 A53 A56 I57	D9-Y11 VanDerWaalsContact C-N 3.35Å; D9-Y11 PolarHBondContact O-N 2.91Å; Y11-Q13 VanDerWaalsContact C-N 3.27Å; Y11-Q13 PolarHBondContact O-N 3.27Å; Y11-R14 PolarHBondContact O-N 2.65Å; Y11-W15 HydrophobicContact CD1-CB 4.5Å; Y11-W15 HydrophobicContact CD2-CB 3.81Å; Y11-W15 HydrophobicContact CD2-CG 4.13Å; Y11-W15 HydrophobicContact CE1-CB 4.36Å; Y11-W15 HydrophobicContact CE1-CG 4.35Å; Y11-W15 HydrophobicContact CE2-CB 3.64Å; Y11-W15 AromaticContact CE2-CD1 3.8Å; Y11-W15 AromaticContact CE2-CD2 3.79Å; Y11-W15 HydrophobicContact CE2-CD2 3.79Å; Y11-W15 HydrophobicContact CE2-CE3 4.33Å; Y11-W15 AromaticContact CE2-CG 3.44Å; Y11-W15 HydrophobicContact CE2-CG 3.44Å; Y11-W15 VanDerWaalsContact CE2-CG 3.44Å; Y11-W15 HydrophobicContact CG-CB 4.25Å; Y11-W15 AromaticContact CZ-CD1 3.44Å; Y11-W15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-W15 AromaticContact CZ-CG 3.58Å; Y11-W15 AromaticContact CZ-NE1 3.96Å; Y11-W15 WeakPolarHBondContact O-CB 3.49Å; Y11-W15 PolarHBondContact O-N 3.02Å; Y11-W15 PolarHBondContact OH-NE1 2.75Å; Y11-I46 HydrophobicContact CD2-CG2 3.92Å; Y11-A53 HydrophobicContact CD2-CB 3.9Å; Y11-A53 HydrophobicContact CG-CB 4.26Å; Y11-A56 HydrophobicContact CE1-CB 4.16Å; Y11-A56 HydrophobicContact CE2-CB 4.02Å; Y11-A56 PolarHBondContact OH-O 3.31Å; Y11-I57 HydrophobicContact CD2-CG1 4.26Å; Y11-I57 HydrophobicContact CE2-CG1 3.77Å
12	E	79.2	Confident	69	Low	146 Å²	146	91 Å²	91	68%	0.682	46%	0.455	S	S	*	.	H	α-helix	trans	-63.3	-31	-174.2	-65.6	-162.9	169.1	0	0	113.2	D9 P16	D9-E12 PolarHBondContact O-N 3.38Å; E12-P16 WeakPolarHBondContact O-CD 3.47Å; E12-P16 VanDerWaalsContact O-CG 3.28Å; E12-P16 WeakPolarHBondContact O-CG 3.4Å
13	Q	81.7	Confident	71.6	Confident	129 Å²	129	83.6 Å²	83.6	60%	0.603	43%	0.428	S	S	*	.	H	α-helix	trans	-83.6	-33.9	179.9	-66.4	-178.7	9.6	0	0	113.9	D9 Y11	D9-Q13 HydrophobicContact CB-CG 4.32Å; D9-Q13 WeakPolarHBondContact O-CG 3.25Å; D9-Q13 PolarHBondContact O-N 3.31Å; D9-Q13 VanDerWaalsContact O-N 3.17Å; Y11-Q13 VanDerWaalsContact C-N 3.27Å; Y11-Q13 PolarHBondContact O-N 3.27Å
14	R	83.2	Confident	74	Confident	77 Å²	77	80.2 Å²	80.2	29%	0.291	40%	0.401	S	S	.	.	H	α-helix	trans	-100.2	-37.4	-171.4	-65.6	-179.2	-177.5	-114.9	8.8	113	C10 Y11 K17 V18 D42 Y45 I46	C10-R14 WeakPolarHBondContact O-CB 3.13Å; C10-R14 PolarHBondContact O-N 2.81Å; Y11-R14 PolarHBondContact O-N 2.65Å; R14-K17 WeakPolarHBondContact O-CB 3.12Å; R14-K17 PolarHBondContact O-N 3.04Å; R14-V18 PolarHBondContact O-N 3.2Å; R14-D42 HydrophobicContact CB-CB 4.4Å; R14-D42 IonicContact CZ-OD1 3.41Å; R14-D42 IonicContact NE-OD1 2.7Å; R14-D42 IonicContact NH1-OD1 3.8Å; R14-D42 PolarHBondContact NH1-OD1 2.81Å; R14-Y45 VanDerWaalsContact NH1-CD2 3.3Å; R14-I46 HydrophobicContact CB-CD1 3.88Å; R14-I46 HydrophobicContact CB-CG1 4.05Å
15	W	86.7	Confident	76.2	Confident	11 Å²	11	76 Å²	76	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-40.1	-177.3	-176.6	-113.3	0	0	0	114.2	Y11 K17 V18 N19 I46 I57 S60 L61 F107	Y11-W15 HydrophobicContact CD1-CB 4.5Å; Y11-W15 HydrophobicContact CD2-CB 3.81Å; Y11-W15 HydrophobicContact CD2-CG 4.13Å; Y11-W15 HydrophobicContact CE1-CB 4.36Å; Y11-W15 HydrophobicContact CE1-CG 4.35Å; Y11-W15 HydrophobicContact CE2-CB 3.64Å; Y11-W15 AromaticContact CE2-CD1 3.8Å; Y11-W15 AromaticContact CE2-CD2 3.79Å; Y11-W15 HydrophobicContact CE2-CD2 3.79Å; Y11-W15 HydrophobicContact CE2-CE3 4.33Å; Y11-W15 AromaticContact CE2-CG 3.44Å; Y11-W15 HydrophobicContact CE2-CG 3.44Å; Y11-W15 VanDerWaalsContact CE2-CG 3.44Å; Y11-W15 HydrophobicContact CG-CB 4.25Å; Y11-W15 AromaticContact CZ-CD1 3.44Å; Y11-W15 VanDerWaalsContact CZ-CD1 3.44Å; Y11-W15 AromaticContact CZ-CG 3.58Å; Y11-W15 AromaticContact CZ-NE1 3.96Å; Y11-W15 WeakPolarHBondContact O-CB 3.49Å; Y11-W15 PolarHBondContact O-N 3.02Å; Y11-W15 PolarHBondContact OH-NE1 2.75Å; W15-K17 VanDerWaalsContact C-N 3.25Å; W15-K17 PolarHBondContact O-N 3.32Å; W15-V18 HydrophobicContact CE3-CB 4.1Å; W15-V18 HydrophobicContact CE3-CG1 3.97Å; W15-V18 HydrophobicContact CH2-CG1 4.42Å; W15-V18 HydrophobicContact CZ3-CB 4.32Å; W15-V18 HydrophobicContact CZ3-CG1 3.68Å; W15-V18 PolarHBondContact O-N 3.24Å; W15-N19 HydrophobicContact CZ2-CB 4.47Å; W15-N19 WeakPolarHBondContact O-CB 3.45Å; W15-N19 PolarHBondContact O-N 3.19Å; W15-I46 HydrophobicContact CB-CD1 4.35Å; W15-I46 HydrophobicContact CE3-CD1 4.27Å; W15-I57 HydrophobicContact CD2-CG1 4.38Å; W15-I57 HydrophobicContact CE3-CG1 3.81Å; W15-I57 HydrophobicContact CH2-CB 4.18Å; W15-I57 HydrophobicContact CH2-CG1 4.25Å; W15-I57 HydrophobicContact CH2-CG2 3.6Å; W15-I57 HydrophobicContact CZ2-CG2 4.43Å; W15-I57 HydrophobicContact CZ3-CB 4.14Å; W15-I57 HydrophobicContact CZ3-CD1 4.42Å; W15-I57 HydrophobicContact CZ3-CG1 3.74Å; W15-I57 HydrophobicContact CZ3-CG2 3.68Å; W15-S60 VanDerWaalsContact NE1-CB 3.32Å; W15-S60 PolarHBondContact NE1-OG 3.12Å; W15-L61 HydrophobicContact CH2-CB 4.47Å; W15-F107 HydrophobicContact CH2-CE1 4.15Å; W15-F107 HydrophobicContact CZ3-CE1 4.03Å
16	P	87	Confident	78.2	Confident	68 Å²	68	66.7 Å²	66.7	44%	0.442	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-35.1	178	-26.1	35.8	0	0	0	113.5	E12 T20	E12-P16 WeakPolarHBondContact O-CD 3.47Å; E12-P16 VanDerWaalsContact O-CG 3.28Å; E12-P16 WeakPolarHBondContact O-CG 3.4Å; P16-T20 WeakPolarHBondContact O-CB 3.32Å; P16-T20 PolarHBondContact O-N 3.33Å; P16-T20 PolarHBondContact O-OG1 2.71Å
17	K	87.3	Confident	80.1	Confident	136 Å²	136	64.4 Å²	64.4	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-68.4	-47.4	177	-61	178.3	-176.7	174.5	0	110.6	R14 W15 T20 I21	R14-K17 WeakPolarHBondContact O-CB 3.12Å; R14-K17 PolarHBondContact O-N 3.04Å; W15-K17 VanDerWaalsContact C-N 3.25Å; W15-K17 PolarHBondContact O-N 3.32Å; K17-T20 PolarHBondContact O-N 3.13Å; K17-I21 WeakPolarHBondContact O-CG1 3.37Å; K17-I21 PolarHBondContact O-N 3.4Å
18	V	86.9	Confident	81.5	Confident	1 Å²	1	64 Å²	64	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-50.5	175.2	173.4	0	0	0	0	110.8	R14 W15 T20 I21 V22 M39 D42 V43 F107	R14-V18 PolarHBondContact O-N 3.2Å; W15-V18 HydrophobicContact CE3-CB 4.1Å; W15-V18 HydrophobicContact CE3-CG1 3.97Å; W15-V18 HydrophobicContact CH2-CG1 4.42Å; W15-V18 HydrophobicContact CZ3-CB 4.32Å; W15-V18 HydrophobicContact CZ3-CG1 3.68Å; W15-V18 PolarHBondContact O-N 3.24Å; V18-T20 VanDerWaalsContact C-N 3.26Å; V18-T20 PolarHBondContact O-N 3.21Å; V18-I21 PolarHBondContact O-N 2.98Å; V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 WeakPolarHBondContact O-CG2 3.22Å; V18-V22 PolarHBondContact O-N 3.45Å; V18-M39 HydrophobicContact CB-CG 4.47Å; V18-M39 HydrophobicContact CG1-CG 3.87Å; V18-M39 HydrophobicContact CG1-SD 4.14Å; V18-M39 HydrophobicContact CG2-CG 4.28Å; V18-D42 HydrophobicContact CG2-CB 3.62Å; V18-V43 HydrophobicContact CG1-CG2 3.97Å; V18-V43 HydrophobicContact CG2-CG2 4.37Å; V18-F107 HydrophobicContact CG1-CE1 4.49Å; V18-F107 HydrophobicContact CG1-CZ 4.4Å
19	N	86.9	Confident	83.1	Confident	24 Å²	24	60.2 Å²	60.2	13%	0.128	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-31.3	-178.4	-164.2	30.9	0	0	0	112.5	W15 V22 K23 T64	W15-N19 HydrophobicContact CZ2-CB 4.47Å; W15-N19 WeakPolarHBondContact O-CB 3.45Å; W15-N19 PolarHBondContact O-N 3.19Å; N19-V22 PolarHBondContact O-N 3.2Å; N19-K23 WeakPolarHBondContact O-CG 3.43Å; N19-K23 PolarHBondContact O-N 2.86Å; N19-T64 PolarHBondContact ND2-OG1 3.2Å; N19-T64 PolarHBondContact OD1-OG1 2.88Å
20	T	88.2	Confident	84.2	Confident	79 Å²	79	63.4 Å²	63.4	49%	0.485	31%	0.313	S	S	.	.	H	α-helix	trans	-65.8	-43.1	173.2	-58.2	0	0	0	0	111.4	P16 K17 V18 K23 R24	P16-T20 WeakPolarHBondContact O-CB 3.32Å; P16-T20 PolarHBondContact O-N 3.33Å; P16-T20 PolarHBondContact O-OG1 2.71Å; K17-T20 PolarHBondContact O-N 3.13Å; V18-T20 VanDerWaalsContact C-N 3.26Å; V18-T20 PolarHBondContact O-N 3.21Å; T20-K23 PolarHBondContact O-N 3.11Å; T20-R24 WeakPolarHBondContact O-CG 3.45Å; T20-R24 PolarHBondContact O-N 2.87Å
21	I	87.5	Confident	84.9	Confident	18 Å²	18	64.4 Å²	64.4	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-65.3	-42.7	175.6	-62.1	167.3	0	0	0	110.2	K17 V18 K23 R24 I25 V31 E35 M39	K17-I21 WeakPolarHBondContact O-CG1 3.37Å; K17-I21 PolarHBondContact O-N 3.4Å; V18-I21 PolarHBondContact O-N 2.98Å; I21-K23 PolarHBondContact O-N 2.84Å; I21-R24 WeakPolarHBondContact O-CB 3.34Å; I21-R24 PolarHBondContact O-N 3.18Å; I21-R24 VanDerWaalsContact O-N 3.17Å; I21-I25 HydrophobicContact CG2-CD1 3.82Å; I21-I25 HydrophobicContact CG2-CG1 4.41Å; I21-I25 WeakPolarHBondContact O-CD1 3.07Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.17Å; I21-I25 PolarHBondContact O-N 3.38Å; I21-V31 HydrophobicContact CG2-CG1 3.8Å; I21-V31 HydrophobicContact CG2-CG2 4.14Å; I21-E35 HydrophobicContact CD1-CB 4.17Å; I21-M39 HydrophobicContact CB-SD 3.88Å; I21-M39 HydrophobicContact CD1-CB 4.47Å; I21-M39 HydrophobicContact CG2-CE 4.39Å; I21-M39 HydrophobicContact CG2-SD 3.59Å; I21-M39 VanDerWaalsContact CG2-SD 3.59Å
22	V	88	Confident	85.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56.7	-47	174.4	171.4	0	0	0	0	111.5	V18 N19 R24 I25 L26 M39 L61 T64 L103 F107	V18-V22 HydrophobicContact CG1-CG2 4.29Å; V18-V22 WeakPolarHBondContact O-CG2 3.22Å; V18-V22 PolarHBondContact O-N 3.45Å; N19-V22 PolarHBondContact O-N 3.2Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 2.97Å; V22-I25 PolarHBondContact O-N 2.79Å; V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.45Å; V22-L26 WeakPolarHBondContact O-CG 3.43Å; V22-L26 PolarHBondContact O-N 3.18Å; V22-M39 HydrophobicContact CG2-SD 4.21Å; V22-L61 HydrophobicContact CG1-CD1 3.71Å; V22-L61 HydrophobicContact CG2-CD1 4.29Å; V22-T64 HydrophobicContact CG1-CG2 4.05Å; V22-L103 HydrophobicContact CB-CD1 4.48Å; V22-L103 HydrophobicContact CG1-CD1 4.15Å; V22-L103 HydrophobicContact CG1-CD2 4.33Å; V22-L103 HydrophobicContact CG2-CD1 4.18Å; V22-F107 HydrophobicContact CG2-CE2 4.42Å; V22-F107 HydrophobicContact CG2-CZ 3.92Å
23	K	87.7	Confident	85.7	Confident	80 Å²	80	68 Å²	68	35%	0.348	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-43.4	176	-77	179.9	-179.1	-168.9	0	111.8	N19 T20 I21 L26 N27 T64	N19-K23 WeakPolarHBondContact O-CG 3.43Å; N19-K23 PolarHBondContact O-N 2.86Å; T20-K23 PolarHBondContact O-N 3.11Å; I21-K23 PolarHBondContact O-N 2.84Å; K23-L26 PolarHBondContact O-N 3.44Å; K23-N27 WeakPolarHBondContact O-CB 3.27Å; K23-N27 VanDerWaalsContact O-CG 3.3Å; K23-N27 PolarHBondContact O-N 2.99Å; K23-T64 HydrophobicContact CD-CG2 4.4Å; K23-T64 HydrophobicContact CG-CG2 3.5Å; K23-T64 VanDerWaalsContact CG-CG2 3.5Å
24	R	88.3	Confident	86	Confident	61 Å²	61	67 Å²	67	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-44.4	176.2	-74.2	174.8	58.5	-160.5	-4.8	111.9	T20 I21 V22 L26 N27 T28 E29 N30 V31 E35	T20-R24 WeakPolarHBondContact O-CG 3.45Å; T20-R24 PolarHBondContact O-N 2.87Å; I21-R24 WeakPolarHBondContact O-CB 3.34Å; I21-R24 PolarHBondContact O-N 3.18Å; I21-R24 VanDerWaalsContact O-N 3.17Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 2.97Å; R24-L26 PolarHBondContact O-N 3.46Å; R24-N27 CarbonylContact O-C 3.58Å; R24-N27 PolarHBondContact O-N 3.47Å; R24-T28 PolarHBondContact O-N 3.41Å; R24-E29 HydrophobicContact CB-CB 3.99Å; R24-E29 HydrophobicContact CG-CB 4.31Å; R24-E29 WeakPolarHBondContact CG-OE2 3.44Å; R24-E29 WeakPolarHBondContact O-CB 3.45Å; R24-E29 PolarHBondContact O-N 3.34Å; R24-N30 PolarHBondContact NH2-O 3.04Å; R24-V31 HydrophobicContact CB-CG2 4.33Å; R24-E35 IonicContact CZ-OE1 3.6Å; R24-E35 IonicContact CZ-OE2 3.56Å; R24-E35 VanDerWaalsContact NH1-CD 3.33Å; R24-E35 IonicContact NH1-OE1 2.72Å; R24-E35 PolarHBondContact NH1-OE1 3.4Å; R24-E35 IonicContact NH1-OE2 3.34Å; R24-E35 PolarHBondContact NH1-OE2 3.35Å; R24-E35 IonicContact NH2-OE1 3.51Å; R24-E35 IonicContact NH2-OE2 2.97Å; R24-E35 PolarHBondContact NH2-OE2 3.14Å
25	I	86	Confident	86.2	Confident	21 Å²	21	66 Å²	66	11%	0.108	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-47.7	177.5	-65.4	156	0	0	0	110.8	I21 V22 N27 T28 V31 W36 M39 Q99 L103	I21-I25 HydrophobicContact CG2-CD1 3.82Å; I21-I25 HydrophobicContact CG2-CG1 4.41Å; I21-I25 WeakPolarHBondContact O-CD1 3.07Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.17Å; I21-I25 PolarHBondContact O-N 3.38Å; V22-I25 PolarHBondContact O-N 2.79Å; I25-N27 VanDerWaalsContact C-N 3.26Å; I25-N27 PolarHBondContact O-N 2.93Å; I25-T28 PolarHBondContact O-N 3.02Å; I25-V31 HydrophobicContact CD1-CG2 4.5Å; I25-V31 HydrophobicContact CG1-CG2 3.71Å; I25-W36 HydrophobicContact CD1-CE3 4.11Å; I25-W36 HydrophobicContact CD1-CZ3 3.55Å; I25-W36 HydrophobicContact CG1-CZ3 4.47Å; I25-M39 HydrophobicContact CD1-CE 3.92Å; I25-M39 HydrophobicContact CD1-SD 4.46Å; I25-Q99 PolarHBondContact O-NE2 3.13Å; I25-L103 HydrophobicContact CB-CD1 4.39Å; I25-L103 HydrophobicContact CD1-CD1 3.95Å; I25-L103 HydrophobicContact CG2-CD1 4.15Å
26	L	84.1	Confident	86.2	Confident	13 Å²	13	68.4 Å²	68.4	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-30.9	178.9	-70.6	170.1	0	0	0	112.3	V22 K23 R24 T28 T64 V65 Q99 L103 M136	V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.45Å; V22-L26 WeakPolarHBondContact O-CG 3.43Å; V22-L26 PolarHBondContact O-N 3.18Å; K23-L26 PolarHBondContact O-N 3.44Å; R24-L26 PolarHBondContact O-N 3.46Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-T28 PolarHBondContact O-N 3.22Å; L26-T64 HydrophobicContact CD1-CG2 3.88Å; L26-V65 HydrophobicContact CD1-CG2 4.05Å; L26-Q99 VanDerWaalsContact C-NE2 3.29Å; L26-Q99 PolarHBondContact O-NE2 3.47Å; L26-L103 HydrophobicContact CD2-CD2 3.98Å; L26-L103 HydrophobicContact CG-CD2 4.3Å; L26-M136 HydrophobicContact CD2-CE 3.87Å
27	N	82.7	Confident	86.1	Confident	68 Å²	68	71.1 Å²	71.1	36%	0.364	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4.8	174.1	-70.5	-14.5	0	0	0	114.2	K23 R24 I25 E29	K23-N27 WeakPolarHBondContact O-CB 3.27Å; K23-N27 VanDerWaalsContact O-CG 3.3Å; K23-N27 PolarHBondContact O-N 2.99Å; R24-N27 CarbonylContact O-C 3.58Å; R24-N27 PolarHBondContact O-N 3.47Å; I25-N27 VanDerWaalsContact C-N 3.26Å; I25-N27 PolarHBondContact O-N 2.93Å; N27-E29 HydrophobicContact CB-CG 4.04Å; N27-E29 WeakPolarHBondContact CB-OE1 3.43Å; N27-E29 PolarHBondContact ND2-OE1 3.28Å; N27-E29 PolarHBondContact O-N 3.43Å
28	T	81.3	Confident	86.1	Confident	86 Å²	86	69.1 Å²	69.1	53%	0.528	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	30.7	-174.5	56.5	0	0	0	0	114.5	R24 I25 L26 K95	R24-T28 PolarHBondContact O-N 3.41Å; I25-T28 PolarHBondContact O-N 3.02Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-T28 PolarHBondContact O-N 3.22Å; T28-K95 HydrophobicContact CG2-CB 4.37Å; T28-K95 HydrophobicContact CG2-CD 4.34Å; T28-K95 HydrophobicContact CG2-CG 4.5Å
29	E	83.6	Confident	86.1	Confident	98 Å²	98	69 Å²	69	46%	0.458	34%	0.342	S	S	.	.			trans	-83.7	147.5	173	-62.5	173.6	-140.1	0	0	110.5	R24 N27 V31	R24-E29 HydrophobicContact CB-CB 3.99Å; R24-E29 HydrophobicContact CG-CB 4.31Å; R24-E29 WeakPolarHBondContact CG-OE2 3.44Å; R24-E29 WeakPolarHBondContact O-CB 3.45Å; R24-E29 PolarHBondContact O-N 3.34Å; N27-E29 HydrophobicContact CB-CG 4.04Å; N27-E29 WeakPolarHBondContact CB-OE1 3.43Å; N27-E29 PolarHBondContact ND2-OE1 3.28Å; N27-E29 PolarHBondContact O-N 3.43Å; E29-V31 PolarHBondContact O-N 3.32Å
30	N	83.1	Confident	86.1	Confident	152 Å²	152	71.1 Å²	71.1	81%	0.813	35%	0.35	S	S	*	.			trans	-63.4	133.2	-179.4	-82.5	-20.1	0	0	0	110.9	R24	R24-N30 PolarHBondContact NH2-O 3.04Å
31	V	84.8	Confident	85.9	Confident	41 Å²	41	69.2 Å²	69.2	25%	0.248	34%	0.342	C	S	.	.			trans	-116.7	129.6	172.1	178.6	0	0	0	0	108.6	I21 R24 I25 E29 E35 W36	I21-V31 HydrophobicContact CG2-CG1 3.8Å; I21-V31 HydrophobicContact CG2-CG2 4.14Å; R24-V31 HydrophobicContact CB-CG2 4.33Å; I25-V31 HydrophobicContact CD1-CG2 4.5Å; I25-V31 HydrophobicContact CG1-CG2 3.71Å; E29-V31 PolarHBondContact O-N 3.32Å; V31-E35 HydrophobicContact CG1-CB 3.67Å; V31-W36 HydrophobicContact CG1-CB 4.4Å
32	S	89.2	Confident	85.8	Confident	51 Å²	51	69.4 Å²	69.4	36%	0.357	34%	0.344	S	S	.	.			trans	-71.6	159.1	179.5	84.4	0	0	0	0	111.2	D34 E35 W36	S32-D34 PolarHBondContact O-N 3.36Å; S32-D34 PolarHBondContact OG-N 3.19Å; S32-E35 PolarHBondContact N-OE2 3.23Å; S32-E35 PolarHBondContact O-N 2.86Å; S32-E35 VanDerWaalsContact OG-CG 3.3Å; S32-E35 WeakPolarHBondContact OG-CG 3.35Å; S32-E35 PolarHBondContact OG-N 2.66Å; S32-E35 VanDerWaalsContact OG-N 3.1Å; S32-W36 PolarHBondContact O-N 3.04Å
33	R	86.1	Confident	85.7	Confident	215 Å²	215	69.4 Å²	69.4	81%	0.811	34%	0.344	S	S	*	.	H	α-helix	trans	-59.7	-37	175.6	-76.3	-174.9	179.3	177.8	0.4	112	W36 Q37	R33-W36 PolarHBondContact O-N 2.97Å; R33-Q37 WeakPolarHBondContact O-CG 3.48Å; R33-Q37 PolarHBondContact O-N 3.34Å
34	D	87	Confident	85.5	Confident	108 Å²	108	70.2 Å²	70.2	58%	0.578	35%	0.349	S	S	*	.	H	α-helix	trans	-68	-43.4	178.8	-60.8	-35.2	0	0	0	111	S32 W36 Q37 N38	S32-D34 PolarHBondContact O-N 3.36Å; S32-D34 PolarHBondContact OG-N 3.19Å; D34-W36 VanDerWaalsContact C-N 3.31Å; D34-W36 PolarHBondContact O-N 3.14Å; D34-Q37 PolarHBondContact O-N 3.27Å; D34-N38 VanDerWaalsContact O-CB 3.28Å; D34-N38 WeakPolarHBondContact O-CB 3.47Å; D34-N38 PolarHBondContact O-N 2.83Å; D34-N38 PolarHBondContact O-ND2 2.72Å
35	E	87.8	Confident	85.2	Confident	55 Å²	55	72.3 Å²	72.3	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-43.5	174.3	-71.7	174.7	145.3	0	0	111.3	I21 R24 V31 S32 N38 M39	I21-E35 HydrophobicContact CD1-CB 4.17Å; R24-E35 IonicContact CZ-OE1 3.6Å; R24-E35 IonicContact CZ-OE2 3.56Å; R24-E35 VanDerWaalsContact NH1-CD 3.33Å; R24-E35 IonicContact NH1-OE1 2.72Å; R24-E35 PolarHBondContact NH1-OE1 3.4Å; R24-E35 IonicContact NH1-OE2 3.34Å; R24-E35 PolarHBondContact NH1-OE2 3.35Å; R24-E35 IonicContact NH2-OE1 3.51Å; R24-E35 IonicContact NH2-OE2 2.97Å; R24-E35 PolarHBondContact NH2-OE2 3.14Å; V31-E35 HydrophobicContact CG1-CB 3.67Å; S32-E35 PolarHBondContact N-OE2 3.23Å; S32-E35 PolarHBondContact O-N 2.86Å; S32-E35 VanDerWaalsContact OG-CG 3.3Å; S32-E35 WeakPolarHBondContact OG-CG 3.35Å; S32-E35 PolarHBondContact OG-N 2.66Å; S32-E35 VanDerWaalsContact OG-N 3.1Å; E35-N38 PolarHBondContact O-N 3.12Å; E35-M39 PolarHBondContact O-N 3.13Å
36	W	86.5	Confident	84.9	Confident	61 Å²	61	71.3 Å²	71.3	23%	0.231	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-47.1	177.2	-172.3	-111.2	0	0	0	112	I25 V31 S32 R33 D34 M39 F40 Y102 Q105 P106	I25-W36 HydrophobicContact CD1-CE3 4.11Å; I25-W36 HydrophobicContact CD1-CZ3 3.55Å; I25-W36 HydrophobicContact CG1-CZ3 4.47Å; V31-W36 HydrophobicContact CG1-CB 4.4Å; S32-W36 PolarHBondContact O-N 3.04Å; R33-W36 PolarHBondContact O-N 2.97Å; D34-W36 VanDerWaalsContact C-N 3.31Å; D34-W36 PolarHBondContact O-N 3.14Å; W36-M39 HydrophobicContact CE3-CE 3.69Å; W36-M39 HydrophobicContact CH2-CE 4.21Å; W36-M39 HydrophobicContact CZ3-CE 3.45Å; W36-M39 VanDerWaalsContact CZ3-CE 3.45Å; W36-M39 WeakPolarHBondContact O-CB 3.19Å; W36-M39 PolarHBondContact O-N 3.2Å; W36-F40 AromaticContact CD1-CE2 3.85Å; W36-F40 HydrophobicContact CD2-CE2 4.35Å; W36-F40 AromaticContact CE2-CE2 3.73Å; W36-F40 HydrophobicContact CG-CE2 4.44Å; W36-F40 HydrophobicContact CZ2-CE2 4.16Å; W36-F40 AromaticContact NE1-CE2 3.42Å; W36-F40 WeakPolarHBondContact O-CD2 3.32Å; W36-F40 PolarHBondContact O-N 2.92Å; W36-Y102 WeakPolarHBondContact CH2-O 3.44Å; W36-Q105 HydrophobicContact CZ2-CB 4.4Å; W36-P106 HydrophobicContact CD2-CG 4.31Å; W36-P106 HydrophobicContact CE3-CG 4.19Å; W36-P106 HydrophobicContact CH2-CG 3.3Å; W36-P106 HydrophobicContact CZ2-CG 3.42Å; W36-P106 VanDerWaalsContact CZ2-CG 3.42Å; W36-P106 HydrophobicContact CZ3-CG 3.71Å
37	Q	86	Confident	84.7	Confident	126 Å²	126	71 Å²	71	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-64.8	-41.8	177.8	-74	-179	0.2	0	0	112.5	R33 D34 M39 F40 A41	R33-Q37 WeakPolarHBondContact O-CG 3.48Å; R33-Q37 PolarHBondContact O-N 3.34Å; D34-Q37 PolarHBondContact O-N 3.27Å; Q37-M39 PolarHBondContact O-N 3.2Å; Q37-F40 PolarHBondContact O-N 3.41Å; Q37-F40 VanDerWaalsContact O-N 3.17Å; Q37-A41 PolarHBondContact O-N 3.4Å; Q37-A41 VanDerWaalsContact O-N 3.16Å
38	N	87.1	Confident	84.5	Confident	93 Å²	93	71.1 Å²	71.1	50%	0.497	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-35.2	175.4	-71.8	-28.1	0	0	0	111.1	D34 E35 A41 D42	D34-N38 VanDerWaalsContact O-CB 3.28Å; D34-N38 WeakPolarHBondContact O-CB 3.47Å; D34-N38 PolarHBondContact O-N 2.83Å; D34-N38 PolarHBondContact O-ND2 2.72Å; E35-N38 PolarHBondContact O-N 3.12Å; N38-A41 PolarHBondContact O-N 2.88Å; N38-D42 WeakPolarHBondContact O-CB 3.49Å; N38-D42 PolarHBondContact O-N 3.2Å
39	M	86.6	Confident	84.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-42	175.7	-163.7	164.3	77.3	0	0	112.8	V18 I21 V22 I25 E35 W36 Q37 A41 D42 V43 P106	V18-M39 HydrophobicContact CB-CG 4.47Å; V18-M39 HydrophobicContact CG1-CG 3.87Å; V18-M39 HydrophobicContact CG1-SD 4.14Å; V18-M39 HydrophobicContact CG2-CG 4.28Å; I21-M39 HydrophobicContact CB-SD 3.88Å; I21-M39 HydrophobicContact CD1-CB 4.47Å; I21-M39 HydrophobicContact CG2-CE 4.39Å; I21-M39 HydrophobicContact CG2-SD 3.59Å; I21-M39 VanDerWaalsContact CG2-SD 3.59Å; V22-M39 HydrophobicContact CG2-SD 4.21Å; I25-M39 HydrophobicContact CD1-CE 3.92Å; I25-M39 HydrophobicContact CD1-SD 4.46Å; E35-M39 PolarHBondContact O-N 3.13Å; W36-M39 HydrophobicContact CE3-CE 3.69Å; W36-M39 HydrophobicContact CH2-CE 4.21Å; W36-M39 HydrophobicContact CZ3-CE 3.45Å; W36-M39 VanDerWaalsContact CZ3-CE 3.45Å; W36-M39 WeakPolarHBondContact O-CB 3.19Å; W36-M39 PolarHBondContact O-N 3.2Å; Q37-M39 PolarHBondContact O-N 3.2Å; M39-A41 VanDerWaalsContact C-N 3.33Å; M39-A41 PolarHBondContact O-N 3.26Å; M39-D42 PolarHBondContact O-N 3.07Å; M39-V43 HydrophobicContact CG-CG2 4.44Å; M39-V43 WeakPolarHBondContact O-CB 3.4Å; M39-V43 VanDerWaalsContact O-CG2 3.24Å; M39-V43 WeakPolarHBondContact O-CG2 3.4Å; M39-V43 PolarHBondContact O-N 3.13Å; M39-P106 HydrophobicContact CE-CB 3.53Å; M39-P106 HydrophobicContact CE-CG 3.28Å; M39-P106 HydrophobicContact CG-CB 4.24Å
40	F	86.1	Confident	83.6	Confident	67 Å²	67	71.6 Å²	71.6	29%	0.294	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-45.1	173.1	-81.1	-100.3	0	0	0	111.4	W36 Q37 H44 Q105 P106	W36-F40 AromaticContact CD1-CE2 3.85Å; W36-F40 HydrophobicContact CD2-CE2 4.35Å; W36-F40 AromaticContact CE2-CE2 3.73Å; W36-F40 HydrophobicContact CG-CE2 4.44Å; W36-F40 HydrophobicContact CZ2-CE2 4.16Å; W36-F40 AromaticContact NE1-CE2 3.42Å; W36-F40 WeakPolarHBondContact O-CD2 3.32Å; W36-F40 PolarHBondContact O-N 2.92Å; Q37-F40 PolarHBondContact O-N 3.41Å; Q37-F40 VanDerWaalsContact O-N 3.17Å; F40-H44 VanDerWaalsContact O-CB 3.28Å; F40-H44 WeakPolarHBondContact O-CB 3.44Å; F40-H44 PolarHBondContact O-N 2.93Å; F40-Q105 WeakPolarHBondContact CE1-O 3.39Å; F40-Q105 HydrophobicContact CZ-CB 4.02Å; F40-P106 HydrophobicContact CD1-CB 4.41Å; F40-P106 HydrophobicContact CD2-CB 3.88Å; F40-P106 HydrophobicContact CD2-CG 4.06Å; F40-P106 VanDerWaalsContact CE1-CA 3.45Å; F40-P106 HydrophobicContact CE1-CB 4.38Å; F40-P106 HydrophobicContact CE2-CB 3.81Å; F40-P106 HydrophobicContact CE2-CG 3.53Å; F40-P106 HydrophobicContact CG-CB 4.17Å; F40-P106 HydrophobicContact CZ-CB 4.08Å; F40-P106 HydrophobicContact CZ-CG 3.83Å
41	A	85	Confident	82.8	Confident	39 Å²	39	70.8 Å²	70.8	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-49.5	-179.5	0	0	0	0	0	110.8	Q37 N38 M39 H44 Y45	Q37-A41 PolarHBondContact O-N 3.4Å; Q37-A41 VanDerWaalsContact O-N 3.16Å; N38-A41 PolarHBondContact O-N 2.88Å; M39-A41 VanDerWaalsContact C-N 3.33Å; M39-A41 PolarHBondContact O-N 3.26Å; A41-H44 PolarHBondContact O-N 3.46Å; A41-Y45 HydrophobicContact CB-CD2 4.49Å; A41-Y45 HydrophobicContact CB-CE2 4.45Å; A41-Y45 WeakPolarHBondContact O-CD2 3.41Å; A41-Y45 PolarHBondContact O-N 2.89Å
42	D	85.7	Confident	82.1	Confident	23 Å²	23	72.7 Å²	72.7	12%	0.123	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-43.4	-179.4	-78.4	-29	0	0	0	112.1	R14 V18 N38 M39 H44 Y45 I46	R14-D42 HydrophobicContact CB-CB 4.4Å; R14-D42 IonicContact CZ-OD1 3.41Å; R14-D42 IonicContact NE-OD1 2.7Å; R14-D42 IonicContact NH1-OD1 3.8Å; R14-D42 PolarHBondContact NH1-OD1 2.81Å; V18-D42 HydrophobicContact CG2-CB 3.62Å; N38-D42 WeakPolarHBondContact O-CB 3.49Å; N38-D42 PolarHBondContact O-N 3.2Å; M39-D42 PolarHBondContact O-N 3.07Å; D42-H44 PolarHBondContact O-N 3.48Å; D42-Y45 PolarHBondContact O-N 3.5Å; D42-I46 WeakPolarHBondContact O-CD1 3.46Å; D42-I46 WeakPolarHBondContact O-CG1 3.41Å; D42-I46 PolarHBondContact O-N 2.99Å
43	V	84.9	Confident	81.5	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-43.2	175.3	174	0	0	0	0	110.9	V18 M39 Y45 I46 V47 F107	V18-V43 HydrophobicContact CG1-CG2 3.97Å; V18-V43 HydrophobicContact CG2-CG2 4.37Å; M39-V43 HydrophobicContact CG-CG2 4.44Å; M39-V43 WeakPolarHBondContact O-CB 3.4Å; M39-V43 VanDerWaalsContact O-CG2 3.24Å; M39-V43 WeakPolarHBondContact O-CG2 3.4Å; M39-V43 PolarHBondContact O-N 3.13Å; V43-Y45 PolarHBondContact O-N 3.3Å; V43-I46 PolarHBondContact O-N 3.5Å; V43-V47 HydrophobicContact CG1-CG2 4.29Å; V43-V47 WeakPolarHBondContact O-CB 3.47Å; V43-V47 VanDerWaalsContact O-CG2 3.27Å; V43-V47 WeakPolarHBondContact O-CG2 3.42Å; V43-V47 PolarHBondContact O-N 3.04Å; V43-F107 HydrophobicContact CG1-CD1 3.89Å; V43-F107 HydrophobicContact CG2-CD1 3.99Å; V43-F107 HydrophobicContact CG2-CE1 3.87Å
44	H	83.3	Confident	81	Confident	96 Å²	96	60.4 Å²	60.4	44%	0.444	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-43.5	175.7	-176	-77.6	0	0	0	112.2	F40 A41 D42 V47 S48 P109	F40-H44 VanDerWaalsContact O-CB 3.28Å; F40-H44 WeakPolarHBondContact O-CB 3.44Å; F40-H44 PolarHBondContact O-N 2.93Å; A41-H44 PolarHBondContact O-N 3.46Å; D42-H44 PolarHBondContact O-N 3.48Å; H44-V47 PolarHBondContact O-N 3.08Å; H44-S48 PolarHBondContact CE1-OG 3.34Å; H44-S48 VanDerWaalsContact CE1-OG 3.3Å; H44-S48 VanDerWaalsContact O-CB 3.27Å; H44-S48 WeakPolarHBondContact O-CB 3.46Å; H44-S48 PolarHBondContact O-N 3.39Å; H44-S48 PolarHBondContact O-OG 2.96Å; H44-P109 HydrophobicContact CB-CG 4.2Å
45	Y	82.4	Confident	80.5	Confident	105 Å²	105	59.8 Å²	59.8	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-36.4	176.2	-80.6	-65.1	0	0	0	112.8	R14 A41 D42 V43 W49	R14-Y45 VanDerWaalsContact NH1-CD2 3.3Å; A41-Y45 HydrophobicContact CB-CD2 4.49Å; A41-Y45 HydrophobicContact CB-CE2 4.45Å; A41-Y45 WeakPolarHBondContact O-CD2 3.41Å; A41-Y45 PolarHBondContact O-N 2.89Å; D42-Y45 PolarHBondContact O-N 3.5Å; V43-Y45 PolarHBondContact O-N 3.3Å; Y45-W49 AromaticContact CD1-NE1 3.7Å
46	I	80.8	Confident	80.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.5	-47.4	176.8	-64.6	161.9	0	0	0	109.8	Y11 R14 W15 D42 V43 S48 Q50 A53 I57	Y11-I46 HydrophobicContact CD2-CG2 3.92Å; R14-I46 HydrophobicContact CB-CD1 3.88Å; R14-I46 HydrophobicContact CB-CG1 4.05Å; W15-I46 HydrophobicContact CB-CD1 4.35Å; W15-I46 HydrophobicContact CE3-CD1 4.27Å; D42-I46 WeakPolarHBondContact O-CD1 3.46Å; D42-I46 WeakPolarHBondContact O-CG1 3.41Å; D42-I46 PolarHBondContact O-N 2.99Å; V43-I46 PolarHBondContact O-N 3.5Å; I46-S48 PolarHBondContact O-N 2.65Å; I46-Q50 PolarHBondContact O-N 2.76Å; I46-A53 HydrophobicContact CG2-CB 3.62Å; I46-I57 HydrophobicContact CB-CD1 4.18Å; I46-I57 HydrophobicContact CG2-CD1 3.51Å; I46-I57 HydrophobicContact CG2-CG1 4.29Å
47	V	79.3	Confident	80.1	Confident	8 Å²	8	55.8 Å²	55.8	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-68.6	-36.6	-175.6	176	0	0	0	0	112.7	V43 H44 W49 I57 L110 Y113	V43-V47 HydrophobicContact CG1-CG2 4.29Å; V43-V47 WeakPolarHBondContact O-CB 3.47Å; V43-V47 VanDerWaalsContact O-CG2 3.27Å; V43-V47 WeakPolarHBondContact O-CG2 3.42Å; V43-V47 PolarHBondContact O-N 3.04Å; H44-V47 PolarHBondContact O-N 3.08Å; V47-W49 PolarHBondContact O-N 3.46Å; V47-I57 HydrophobicContact CG2-CD1 4.2Å; V47-L110 HydrophobicContact CG2-CB 4.07Å; V47-L110 HydrophobicContact CG2-CD1 3.48Å; V47-L110 VanDerWaalsContact CG2-CD1 3.48Å; V47-L110 HydrophobicContact CG2-CG 4.41Å; V47-Y113 HydrophobicContact CG1-CD1 4.49Å; V47-Y113 HydrophobicContact CG1-CD2 4.39Å; V47-Y113 HydrophobicContact CG1-CG 3.97Å
48	S	77.2	Confident	79.9	Confident	69 Å²	69	52 Å²	52	48%	0.483	27%	0.273	S	S	.	.	H	α-helix	trans	-74	-24.8	-177.6	-66.3	0	0	0	0	114.2	H44 I46	H44-S48 PolarHBondContact CE1-OG 3.34Å; H44-S48 VanDerWaalsContact CE1-OG 3.3Å; H44-S48 VanDerWaalsContact O-CB 3.27Å; H44-S48 WeakPolarHBondContact O-CB 3.46Å; H44-S48 PolarHBondContact O-N 3.39Å; H44-S48 PolarHBondContact O-OG 2.96Å; I46-S48 PolarHBondContact O-N 2.65Å
49	W	73.9	Confident	79.7	Confident	151 Å²	151	51.3 Å²	51.3	57%	0.572	28%	0.276	S	S	*	.	H	α-helix	trans	-112.1	-14.4	-167.9	-65.3	85.9	0	0	0	114	Y45 V47	Y45-W49 AromaticContact CD1-NE1 3.7Å; V47-W49 PolarHBondContact O-N 3.46Å
50	Q	72	Confident	79.7	Confident	44 Å²	44	52.4 Å²	52.4	21%	0.206	28%	0.283	C	S	.	.			trans	-143.5	96.2	-177.2	-168.6	174.6	0.4	0	0	111.5	I46 S52 A53	I46-Q50 PolarHBondContact O-N 2.76Å; Q50-S52 PolarHBondContact O-N 3.11Å; Q50-A53 HydrophobicContact CB-CB 3.87Å; Q50-A53 HydrophobicContact CG-CB 3.82Å; Q50-A53 WeakPolarHBondContact O-CB 3.48Å; Q50-A53 PolarHBondContact O-N 3.12Å
51	E	66.3	Low	79.7	Confident	134 Å²	134	49.2 Å²	49.2	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.8	-178.6	-65	-162.4	136.2	0	0	113.1	A53 T54 Y113	E51-A53 VanDerWaalsContact C-N 3.28Å; E51-A53 PolarHBondContact O-N 3.32Å; E51-T54 PolarHBondContact O-OG1 2.93Å; E51-Y113 WeakPolarHBondContact CG-OH 3.36Å; E51-Y113 PolarHBondContact OE1-OH 2.92Å
52	S	72	Confident	79.7	Confident	82 Å²	82	48.5 Å²	48.5	57%	0.573	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.5	176.6	57.9	0	0	0	0	113.8	Q50 T54 T55	Q50-S52 PolarHBondContact O-N 3.11Å; S52-T54 VanDerWaalsContact C-N 3.33Å; S52-T55 PolarHBondContact O-OG1 2.78Å
53	A	75.8	Confident	79.8	Confident	2 Å²	2	53.3 Å²	53.3	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-76.1	-21.2	179	0	0	0	0	0	112.7	Y11 I46 Q50 E51 T55 A56 I57	Y11-A53 HydrophobicContact CD2-CB 3.9Å; Y11-A53 HydrophobicContact CG-CB 4.26Å; I46-A53 HydrophobicContact CG2-CB 3.62Å; Q50-A53 HydrophobicContact CB-CB 3.87Å; Q50-A53 HydrophobicContact CG-CB 3.82Å; Q50-A53 WeakPolarHBondContact O-CB 3.48Å; Q50-A53 PolarHBondContact O-N 3.12Å; E51-A53 VanDerWaalsContact C-N 3.28Å; E51-A53 PolarHBondContact O-N 3.32Å; A53-T55 VanDerWaalsContact C-N 3.35Å; A53-T55 PolarHBondContact O-N 2.67Å; A53-A56 PolarHBondContact O-N 2.91Å; A53-I57 WeakPolarHBondContact O-CG1 3.46Å; A53-I57 PolarHBondContact O-N 3.28Å
54	T	74.4	Confident	79.9	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-44.1	-179.9	-49.1	0	0	0	0	111.8	E51 S52 I58 L110 Y113 L114	E51-T54 PolarHBondContact O-OG1 2.93Å; S52-T54 VanDerWaalsContact C-N 3.33Å; T54-I58 WeakPolarHBondContact O-CG1 3.26Å; T54-I58 PolarHBondContact O-N 3.1Å; T54-L110 HydrophobicContact CG2-CD1 3.43Å; T54-L110 VanDerWaalsContact CG2-CD1 3.43Å; T54-L110 HydrophobicContact CG2-CG 4.25Å; T54-Y113 HydrophobicContact CG2-CD1 4.07Å; T54-Y113 HydrophobicContact CG2-CE1 4.38Å; T54-L114 HydrophobicContact CG2-CD2 3.78Å; T54-L114 HydrophobicContact CG2-CG 4.14Å
55	T	77.7	Confident	80.1	Confident	95 Å²	95	49.1 Å²	49.1	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-72.8	-34.4	177.6	51.3	0	0	0	0	112.5	S52 A53 I58 S59	S52-T55 PolarHBondContact O-OG1 2.78Å; A53-T55 VanDerWaalsContact C-N 3.35Å; A53-T55 PolarHBondContact O-N 2.67Å; T55-I58 PolarHBondContact O-N 2.96Å; T55-S59 WeakPolarHBondContact O-CB 3.32Å; T55-S59 PolarHBondContact O-N 3.38Å; T55-S59 PolarHBondContact O-OG 3.22Å
56	A	82.3	Confident	80.4	Confident	33 Å²	33	49.2 Å²	49.2	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-40.6	175.2	0	0	0	0	0	111.9	Y11 A53 S59 S60	Y11-A56 HydrophobicContact CE1-CB 4.16Å; Y11-A56 HydrophobicContact CE2-CB 4.02Å; Y11-A56 PolarHBondContact OH-O 3.31Å; A53-A56 PolarHBondContact O-N 2.91Å; A56-S59 PolarHBondContact O-N 2.97Å; A56-S60 WeakPolarHBondContact O-CB 3.36Å; A56-S60 PolarHBondContact O-N 3.11Å
57	I	83.1	Confident	80.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-53.5	171.7	-73.9	169.9	0	0	0	110.2	Y11 W15 I46 V47 A53 S59 S60 L61 F107 L110	Y11-I57 HydrophobicContact CD2-CG1 4.26Å; Y11-I57 HydrophobicContact CE2-CG1 3.77Å; W15-I57 HydrophobicContact CD2-CG1 4.38Å; W15-I57 HydrophobicContact CE3-CG1 3.81Å; W15-I57 HydrophobicContact CH2-CB 4.18Å; W15-I57 HydrophobicContact CH2-CG1 4.25Å; W15-I57 HydrophobicContact CH2-CG2 3.6Å; W15-I57 HydrophobicContact CZ2-CG2 4.43Å; W15-I57 HydrophobicContact CZ3-CB 4.14Å; W15-I57 HydrophobicContact CZ3-CD1 4.42Å; W15-I57 HydrophobicContact CZ3-CG1 3.74Å; W15-I57 HydrophobicContact CZ3-CG2 3.68Å; I46-I57 HydrophobicContact CB-CD1 4.18Å; I46-I57 HydrophobicContact CG2-CD1 3.51Å; I46-I57 HydrophobicContact CG2-CG1 4.29Å; V47-I57 HydrophobicContact CG2-CD1 4.2Å; A53-I57 WeakPolarHBondContact O-CG1 3.46Å; A53-I57 PolarHBondContact O-N 3.28Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 2.99Å; I57-S60 PolarHBondContact O-N 3.33Å; I57-L61 WeakPolarHBondContact O-CB 3.46Å; I57-L61 PolarHBondContact O-N 3.19Å; I57-F107 HydrophobicContact CG2-CD1 4.44Å; I57-F107 HydrophobicContact CG2-CE1 4.31Å; I57-L110 HydrophobicContact CD1-CD1 4.13Å; I57-L110 HydrophobicContact CG2-CD1 4.33Å; I57-L110 HydrophobicContact CG2-CD2 3.85Å
58	I	81.5	Confident	81.1	Confident	46 Å²	46	52.9 Å²	52.9	24%	0.236	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-43.2	-177.3	-65	168.2	0	0	0	110.8	T54 T55 L61 T62 L110 L114	T54-I58 WeakPolarHBondContact O-CG1 3.26Å; T54-I58 PolarHBondContact O-N 3.1Å; T55-I58 PolarHBondContact O-N 2.96Å; I58-L61 PolarHBondContact O-N 2.87Å; I58-T62 WeakPolarHBondContact O-CB 3.3Å; I58-T62 PolarHBondContact O-N 3.47Å; I58-T62 PolarHBondContact O-OG1 3.33Å; I58-L110 HydrophobicContact CG1-CD2 4.14Å; I58-L114 HydrophobicContact CD1-CD1 3.91Å; I58-L114 HydrophobicContact CD1-CD2 4.42Å
59	S	83.9	Confident	81.6	Confident	78 Å²	78	49.6 Å²	49.6	55%	0.545	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-48	-179.9	-57.2	0	0	0	0	111.6	T55 A56 I57 T62 E63	T55-S59 WeakPolarHBondContact O-CB 3.32Å; T55-S59 PolarHBondContact O-N 3.38Å; T55-S59 PolarHBondContact O-OG 3.22Å; A56-S59 PolarHBondContact O-N 2.97Å; I57-S59 VanDerWaalsContact C-N 3.33Å; I57-S59 PolarHBondContact O-N 2.99Å; S59-T62 WeakPolarHBondContact O-CB 3.21Å; S59-T62 PolarHBondContact O-N 3.46Å; S59-E63 PolarHBondContact O-N 3.41Å
60	S	86.2	Confident	82.2	Confident	23 Å²	23	47.4 Å²	47.4	16%	0.161	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-38.3	178.2	-176.7	0	0	0	0	112.2	W15 A56 I57 E63 T64	W15-S60 VanDerWaalsContact NE1-CB 3.32Å; W15-S60 PolarHBondContact NE1-OG 3.12Å; A56-S60 WeakPolarHBondContact O-CB 3.36Å; A56-S60 PolarHBondContact O-N 3.11Å; I57-S60 PolarHBondContact O-N 3.33Å; S60-E63 PolarHBondContact O-N 3.47Å; S60-T64 PolarHBondContact O-N 3.28Å; S60-T64 PolarHBondContact O-OG1 2.75Å
61	L	85.8	Confident	82.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-41.4	174.7	-170.7	69.9	0	0	0	111.4	W15 V22 I57 I58 E63 T64 V65 F107 I132	W15-L61 HydrophobicContact CH2-CB 4.47Å; V22-L61 HydrophobicContact CG1-CD1 3.71Å; V22-L61 HydrophobicContact CG2-CD1 4.29Å; I57-L61 WeakPolarHBondContact O-CB 3.46Å; I57-L61 PolarHBondContact O-N 3.19Å; I58-L61 PolarHBondContact O-N 2.87Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.27Å; L61-T64 PolarHBondContact O-N 3.13Å; L61-V65 HydrophobicContact CG-CG2 4.46Å; L61-V65 WeakPolarHBondContact O-CB 3.47Å; L61-V65 VanDerWaalsContact O-CG2 3.25Å; L61-V65 WeakPolarHBondContact O-CG2 3.48Å; L61-V65 PolarHBondContact O-N 3.4Å; L61-F107 HydrophobicContact CD1-CZ 4.13Å; L61-F107 HydrophobicContact CD2-CZ 4.45Å; L61-I132 HydrophobicContact CD2-CB 4.33Å; L61-I132 HydrophobicContact CD2-CD1 3.76Å; L61-I132 HydrophobicContact CD2-CG1 3.79Å; L61-I132 HydrophobicContact CD2-CG2 3.65Å
62	T	85.1	Confident	83.9	Confident	25 Å²	25	45.6 Å²	45.6	15%	0.153	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-44.6	175.2	-58.6	0	0	0	0	111.3	I58 S59 K66 L135	I58-T62 WeakPolarHBondContact O-CB 3.3Å; I58-T62 PolarHBondContact O-N 3.47Å; I58-T62 PolarHBondContact O-OG1 3.33Å; S59-T62 WeakPolarHBondContact O-CB 3.21Å; S59-T62 PolarHBondContact O-N 3.46Å; T62-K66 HydrophobicContact CG2-CD 4.11Å; T62-K66 WeakPolarHBondContact O-CB 3.47Å; T62-K66 VanDerWaalsContact O-CG 3.31Å; T62-K66 WeakPolarHBondContact O-CG 3.44Å; T62-K66 PolarHBondContact O-N 2.89Å; T62-L135 HydrophobicContact CG2-CD1 3.89Å; T62-L135 WeakPolarHBondContact OG1-CD2 3.41Å
63	E	87.3	Confident	84.6	Confident	123 Å²	123	44.1 Å²	44.1	58%	0.575	23%	0.231	S	C	*	.	H	α-helix	trans	-66.1	-47	178.6	-169.6	170.6	-153.4	0	0	111.6	S59 S60 L61 V65 K66 E67	S59-E63 PolarHBondContact O-N 3.41Å; S60-E63 PolarHBondContact O-N 3.47Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 3.27Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.21Å; E63-K66 PolarHBondContact O-N 3.24Å; E63-E67 PolarHBondContact O-N 3.01Å
64	T	88.4	Confident	85.2	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-41.1	176.7	-64.9	0	0	0	0	112.3	N19 V22 K23 L26 S60 L61 S68	N19-T64 PolarHBondContact ND2-OG1 3.2Å; N19-T64 PolarHBondContact OD1-OG1 2.88Å; V22-T64 HydrophobicContact CG1-CG2 4.05Å; K23-T64 HydrophobicContact CD-CG2 4.4Å; K23-T64 HydrophobicContact CG-CG2 3.5Å; K23-T64 VanDerWaalsContact CG-CG2 3.5Å; L26-T64 HydrophobicContact CD1-CG2 3.88Å; S60-T64 PolarHBondContact O-N 3.28Å; S60-T64 PolarHBondContact O-OG1 2.75Å; L61-T64 PolarHBondContact O-N 3.13Å; T64-S68 PolarHBondContact O-N 2.97Å
65	V	87.3	Confident	85.7	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-41	176.3	168.6	0	0	0	0	111.2	L26 L61 E63 S68 I69 M136 T139	L26-V65 HydrophobicContact CD1-CG2 4.05Å; L61-V65 HydrophobicContact CG-CG2 4.46Å; L61-V65 WeakPolarHBondContact O-CB 3.47Å; L61-V65 VanDerWaalsContact O-CG2 3.25Å; L61-V65 WeakPolarHBondContact O-CG2 3.48Å; L61-V65 PolarHBondContact O-N 3.4Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-V65 PolarHBondContact O-N 3.21Å; V65-S68 PolarHBondContact O-N 3.43Å; V65-S68 PolarHBondContact O-OG 3.18Å; V65-I69 HydrophobicContact CG1-CD1 3.58Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 WeakPolarHBondContact O-CB 3.41Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.41Å; V65-I69 PolarHBondContact O-N 3.2Å; V65-M136 HydrophobicContact CG1-CG 4.08Å; V65-M136 HydrophobicContact CG2-CG 4.14Å; V65-T139 HydrophobicContact CG1-CG2 4.38Å
66	K	86.9	Confident	86	Confident	107 Å²	107	50.5 Å²	50.5	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-46.9	174.7	-81.8	176.9	178.7	-178.6	0	111.8	T62 E63 S68 I69 M70 T139	T62-K66 HydrophobicContact CG2-CD 4.11Å; T62-K66 WeakPolarHBondContact O-CB 3.47Å; T62-K66 VanDerWaalsContact O-CG 3.31Å; T62-K66 WeakPolarHBondContact O-CG 3.44Å; T62-K66 PolarHBondContact O-N 2.89Å; E63-K66 PolarHBondContact O-N 3.24Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 3.42Å; K66-I69 PolarHBondContact O-N 3.47Å; K66-M70 WeakPolarHBondContact O-CB 3.29Å; K66-M70 VanDerWaalsContact O-CG 3.29Å; K66-M70 WeakPolarHBondContact O-CG 3.36Å; K66-M70 PolarHBondContact O-N 2.78Å; K66-T139 HydrophobicContact CB-CG2 4.33Å; K66-T139 HydrophobicContact CG-CG2 3.48Å; K66-T139 VanDerWaalsContact CG-CG2 3.48Å
67	E	88	Confident	86.1	Confident	76 Å²	76	52.4 Å²	52.4	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-45.3	177.8	-78.3	-172.7	175.9	0	0	112.3	E63 M70 R71	E63-E67 PolarHBondContact O-N 3.01Å; E67-M70 PolarHBondContact O-N 3.42Å; E67-R71 WeakPolarHBondContact O-CG 3.46Å; E67-R71 PolarHBondContact O-N 2.98Å; E67-R71 IonicContact OE2-NH2 3.32Å; E67-R71 PolarHBondContact OE2-NH2 3.03Å
68	S	87.9	Confident	86.1	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.063	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-43.8	-180	71.3	0	0	0	0	111.3	T64 V65 K66 M70 R71 V72	T64-S68 PolarHBondContact O-N 2.97Å; V65-S68 PolarHBondContact O-N 3.43Å; V65-S68 PolarHBondContact O-OG 3.18Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 3.42Å; S68-M70 PolarHBondContact O-N 3.37Å; S68-R71 PolarHBondContact O-N 3.38Å; S68-V72 WeakPolarHBondContact O-CG2 3.26Å; S68-V72 PolarHBondContact O-N 3.4Å
69	I	87.5	Confident	86	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-37.9	178.2	-69.4	171.9	0	0	0	111.3	V65 K66 R71 V72 Q73 F96 T139 W140 T143 I144	V65-I69 HydrophobicContact CG1-CD1 3.58Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 WeakPolarHBondContact O-CB 3.41Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.41Å; V65-I69 PolarHBondContact O-N 3.2Å; K66-I69 PolarHBondContact O-N 3.47Å; I69-R71 VanDerWaalsContact C-N 3.35Å; I69-R71 PolarHBondContact O-N 3.21Å; I69-V72 CarbonylContact O-C 3.59Å; I69-V72 PolarHBondContact O-N 3.19Å; I69-Q73 WeakPolarHBondContact O-CB 3.37Å; I69-Q73 PolarHBondContact O-N 3.49Å; I69-F96 HydrophobicContact CD1-CE2 3.73Å; I69-F96 HydrophobicContact CD1-CZ 3.82Å; I69-F96 HydrophobicContact CG1-CE2 3.9Å; I69-F96 HydrophobicContact CG1-CZ 4.43Å; I69-T139 HydrophobicContact CB-CG2 4.4Å; I69-T139 HydrophobicContact CD1-CG2 3.53Å; I69-T139 HydrophobicContact CG2-CG2 4.47Å; I69-W140 HydrophobicContact CD1-CB 4.4Å; I69-W140 HydrophobicContact CG1-CE3 4.42Å; I69-T143 HydrophobicContact CG2-CG2 4.06Å; I69-I144 HydrophobicContact CG2-CD1 3.76Å; I69-I144 HydrophobicContact CG2-CG1 3.88Å
70	M	86.7	Confident	85.5	Confident	105 Å²	105	68 Å²	68	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-37.7	174.9	-73.2	-178	105.7	0	0	112.3	K66 E67 S68 Q73 Q74 T143	K66-M70 WeakPolarHBondContact O-CB 3.29Å; K66-M70 VanDerWaalsContact O-CG 3.29Å; K66-M70 WeakPolarHBondContact O-CG 3.36Å; K66-M70 PolarHBondContact O-N 2.78Å; E67-M70 PolarHBondContact O-N 3.42Å; S68-M70 PolarHBondContact O-N 3.37Å; M70-Q73 WeakPolarHBondContact O-CB 3.35Å; M70-Q73 PolarHBondContact O-N 3.49Å; M70-Q74 WeakPolarHBondContact O-CG 3.4Å; M70-Q74 PolarHBondContact O-N 2.88Å; M70-Q74 VanDerWaalsContact O-N 3.14Å; M70-T143 HydrophobicContact CG-CG2 4.17Å
71	R	87.2	Confident	85.3	Confident	111 Å²	111	70.2 Å²	70.2	42%	0.419	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-42	172.3	-66.9	-177.7	-153	119.2	12.3	111.5	E67 S68 I69 Q73 Q74 L75	E67-R71 WeakPolarHBondContact O-CG 3.46Å; E67-R71 PolarHBondContact O-N 2.98Å; E67-R71 IonicContact OE2-NH2 3.32Å; E67-R71 PolarHBondContact OE2-NH2 3.03Å; S68-R71 PolarHBondContact O-N 3.38Å; I69-R71 VanDerWaalsContact C-N 3.35Å; I69-R71 PolarHBondContact O-N 3.21Å; R71-Q73 VanDerWaalsContact C-N 3.35Å; R71-Q74 PolarHBondContact O-N 3.15Å; R71-L75 PolarHBondContact O-N 3.39Å
72	V	87.3	Confident	85	Confident	28 Å²	28	74.3 Å²	74.3	17%	0.17	35%	0.346	C	S	.	.	H	α-helix	trans	-64.3	-40.8	176.4	176.7	0	0	0	0	111.1	S68 I69 Q74 L75 V76 Q92 W140 I144	S68-V72 WeakPolarHBondContact O-CG2 3.26Å; S68-V72 PolarHBondContact O-N 3.4Å; I69-V72 CarbonylContact O-C 3.59Å; I69-V72 PolarHBondContact O-N 3.19Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.88Å; V72-L75 WeakPolarHBondContact O-CB 3.26Å; V72-L75 PolarHBondContact O-N 3.03Å; V72-L75 VanDerWaalsContact O-N 3.13Å; V72-V76 HydrophobicContact CG1-CG2 4.29Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.29Å; V72-Q92 HydrophobicContact CG1-CB 3.7Å; V72-Q92 HydrophobicContact CG1-CG 3.9Å; V72-W140 HydrophobicContact CG1-CH2 3.95Å; V72-W140 HydrophobicContact CG1-CZ3 3.93Å; V72-I144 HydrophobicContact CB-CD1 4.11Å; V72-I144 HydrophobicContact CG1-CD1 3.84Å
73	Q	87.1	Confident	84.8	Confident	51 Å²	51	76.4 Å²	76.4	24%	0.238	36%	0.361	C	S	.	.	H	α-helix	trans	-55.4	-48.8	175.3	-170.1	-166.9	28.4	0	0	110.6	I69 M70 R71 L75 V76 M77 T143 I144	I69-Q73 WeakPolarHBondContact O-CB 3.37Å; I69-Q73 PolarHBondContact O-N 3.49Å; M70-Q73 WeakPolarHBondContact O-CB 3.35Å; M70-Q73 PolarHBondContact O-N 3.49Å; R71-Q73 VanDerWaalsContact C-N 3.35Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.27Å; Q73-V76 PolarHBondContact O-N 2.86Å; Q73-M77 HydrophobicContact CG-CE 3.92Å; Q73-M77 HydrophobicContact CG-CG 4.09Å; Q73-M77 WeakPolarHBondContact O-CB 3.38Å; Q73-M77 WeakPolarHBondContact O-CG 3.37Å; Q73-M77 PolarHBondContact O-N 3.48Å; Q73-T143 PolarHBondContact NE2-O 3.38Å; Q73-I144 HydrophobicContact CB-CD1 4.22Å; Q73-I144 HydrophobicContact CB-CG1 3.81Å; Q73-I144 HydrophobicContact CG-CG1 4.1Å
74	Q	86.5	Confident	84.7	Confident	142 Å²	142	72.4 Å²	72.4	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-39	178.1	-69.6	176.8	-1.2	0	0	112.6	M70 R71 V72 R78	M70-Q74 WeakPolarHBondContact O-CG 3.4Å; M70-Q74 PolarHBondContact O-N 2.88Å; M70-Q74 VanDerWaalsContact O-N 3.14Å; R71-Q74 PolarHBondContact O-N 3.15Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 2.88Å; Q74-R78 PolarHBondContact O-N 3.23Å
75	L	85.6	Confident	84.7	Confident	94 Å²	94	72.3 Å²	72.3	49%	0.492	35%	0.346	S	S	.	.	H	α-helix	trans	-66.2	-40.6	176.5	-70.4	169.9	0	0	0	112.5	R71 V72 Q73 N79	R71-L75 PolarHBondContact O-N 3.39Å; V72-L75 WeakPolarHBondContact O-CB 3.26Å; V72-L75 PolarHBondContact O-N 3.03Å; V72-L75 VanDerWaalsContact O-N 3.13Å; Q73-L75 VanDerWaalsContact C-N 3.29Å; Q73-L75 PolarHBondContact O-N 3.27Å; L75-N79 PolarHBondContact O-ND2 3.39Å
76	V	84.8	Confident	84.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-48.8	178.8	175.2	0	0	0	0	110.2	V72 Q73 R78 N79 L85 Y89 Q92 I148	V72-V76 HydrophobicContact CG1-CG2 4.29Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.29Å; Q73-V76 PolarHBondContact O-N 2.86Å; V76-R78 PolarHBondContact O-N 2.77Å; V76-N79 PolarHBondContact O-N 3.37Å; V76-N79 PolarHBondContact O-ND2 2.93Å; V76-L85 HydrophobicContact CG1-CD1 3.59Å; V76-L85 VanDerWaalsContact O-CD1 3.32Å; V76-L85 WeakPolarHBondContact O-CD1 3.49Å; V76-Y89 HydrophobicContact CG1-CD2 4.47Å; V76-Q92 HydrophobicContact CG2-CB 4.4Å; V76-Q92 HydrophobicContact CG2-CG 4.07Å; V76-I148 HydrophobicContact CG1-CD1 3.78Å
77	M	83	Confident	85	Confident	73 Å²	73	73 Å²	73	36%	0.36	35%	0.349	S	S	.	.	H	α-helix	trans	-67.8	-14.8	-177.7	-62.2	-56.3	164.3	0	0	114.6	Q73 N79 S147 I148	Q73-M77 HydrophobicContact CG-CE 3.92Å; Q73-M77 HydrophobicContact CG-CG 4.09Å; Q73-M77 WeakPolarHBondContact O-CB 3.38Å; Q73-M77 WeakPolarHBondContact O-CG 3.37Å; Q73-M77 PolarHBondContact O-N 3.48Å; M77-N79 PolarHBondContact O-N 2.96Å; M77-S147 WeakPolarHBondContact CE-OG 3.38Å; M77-I148 HydrophobicContact CE-CB 4.35Å; M77-I148 HydrophobicContact CE-CD1 4.37Å; M77-I148 HydrophobicContact CE-CG1 4.2Å; M77-I148 HydrophobicContact CE-CG2 3.38Å; M77-I148 HydrophobicContact SD-CG2 3.45Å; M77-I148 WeakPolarHBondContact SD-CG2 2.84Å
78	R	83.5	Confident	85.1	Confident	210 Å²	210	70.5 Å²	70.5	79%	0.792	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.8	174.9	-167.7	174.8	-179.6	-179	0.6	112.6	Q74 V76	Q74-R78 PolarHBondContact O-N 3.23Å; V76-R78 PolarHBondContact O-N 2.77Å
79	N	79.9	Confident	85.3	Confident	51 Å²	51	70.1 Å²	70.1	27%	0.273	34%	0.337	S	S	.	.			trans	-85.7	113.5	-179.8	-54	-72.1	0	0	0	109.3	L75 V76 M77 L85 S88	L75-N79 PolarHBondContact O-ND2 3.39Å; V76-N79 PolarHBondContact O-N 3.37Å; V76-N79 PolarHBondContact O-ND2 2.93Å; M77-N79 PolarHBondContact O-N 2.96Å; N79-L85 HydrophobicContact CB-CB 4.4Å; N79-S88 WeakPolarHBondContact ND2-CB 3.29Å; N79-S88 PolarHBondContact ND2-OG 3.43Å
80	Q	73	Confident	85.5	Confident	190 Å²	190	70.4 Å²	70.4	89%	0.888	34%	0.339	S	S	*	.			trans	-81.1	-30.2	-179.3	-69.1	-171	-5.9	0	0	112.7
81	D	82.4	Confident	85.7	Confident	70 Å²	70	67.7 Å²	67.7	37%	0.374	33%	0.333	S	S	.	.	S	Bend	trans	-82.2	138.1	178.8	72.5	-75.1	0	0	0	111.4	S83 S84 L85	D81-S83 VanDerWaalsContact C-N 3.27Å; D81-S83 PolarHBondContact O-N 3.38Å; D81-S83 PolarHBondContact OD2-OG 3.25Å; D81-S84 VanDerWaalsContact CG-CB 3.46Å; D81-S84 PolarHBondContact O-N 3.45Å; D81-S84 WeakPolarHBondContact OD1-CB 3.45Å; D81-S84 PolarHBondContact OD1-OG 3.07Å; D81-S84 WeakPolarHBondContact OD2-CA 3.45Å; D81-S84 WeakPolarHBondContact OD2-CB 3.28Å; D81-S84 PolarHBondContact OD2-N 2.92Å; D81-S84 PolarHBondContact OD2-OG 2.89Å; D81-L85 VanDerWaalsContact O-CB 3.25Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 PolarHBondContact O-N 3.49Å
82	E	78.7	Confident	85.9	Confident	87 Å²	87	64.4 Å²	64.4	41%	0.407	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-37.9	-178.2	-81.3	173.3	-172	0	0	113.1	L86 S155	E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 2.73Å; E82-S155 WeakPolarHBondContact CB-OG 3.39Å; E82-S155 PolarHBondContact O-OG 2.99Å
83	S	81.4	Confident	86.1	Confident	68 Å²	68	63 Å²	63	48%	0.476	31%	0.314	S	S	.	.	H	α-helix	trans	-70.6	-42.2	-177	80.5	0	0	0	0	113.2	D81 K87	D81-S83 VanDerWaalsContact C-N 3.27Å; D81-S83 PolarHBondContact O-N 3.38Å; D81-S83 PolarHBondContact OD2-OG 3.25Å; S83-K87 WeakPolarHBondContact O-CG 3.43Å; S83-K87 PolarHBondContact O-N 2.98Å; S83-K87 VanDerWaalsContact O-N 3.11Å
84	S	85.7	Confident	86.3	Confident	40 Å²	40	63.8 Å²	63.8	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-79	-30.9	178.3	-52.3	0	0	0	0	110.7	D81 K87 S88	D81-S84 VanDerWaalsContact CG-CB 3.46Å; D81-S84 PolarHBondContact O-N 3.45Å; D81-S84 WeakPolarHBondContact OD1-CB 3.45Å; D81-S84 PolarHBondContact OD1-OG 3.07Å; D81-S84 WeakPolarHBondContact OD2-CA 3.45Å; D81-S84 WeakPolarHBondContact OD2-CB 3.28Å; D81-S84 PolarHBondContact OD2-N 2.92Å; D81-S84 PolarHBondContact OD2-OG 2.89Å; S84-K87 PolarHBondContact O-N 3.43Å; S84-S88 WeakPolarHBondContact O-CB 3.3Å; S84-S88 PolarHBondContact O-N 3.17Å
85	L	89.1	Confident	86.4	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-57.1	-49.2	168.4	-178.9	70.2	0	0	0	110.6	V76 N79 D81 S88 Y89 I148 K151	V76-L85 HydrophobicContact CG1-CD1 3.59Å; V76-L85 VanDerWaalsContact O-CD1 3.32Å; V76-L85 WeakPolarHBondContact O-CD1 3.49Å; N79-L85 HydrophobicContact CB-CB 4.4Å; D81-L85 VanDerWaalsContact O-CB 3.25Å; D81-L85 WeakPolarHBondContact O-CB 3.44Å; D81-L85 PolarHBondContact O-N 3.49Å; L85-S88 PolarHBondContact O-N 3.06Å; L85-Y89 VanDerWaalsContact O-CB 3.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.29Å; L85-Y89 PolarHBondContact O-N 3.19Å; L85-I148 HydrophobicContact CD2-CG2 4.29Å; L85-K151 HydrophobicContact CD2-CB 3.9Å; L85-K151 HydrophobicContact CD2-CD 3.97Å
86	L	89.2	Confident	86.7	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-50.1	177.3	178.9	61	0	0	0	111.7	E82 S88 Y89 I90 L152 L159 L173 V177	E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 2.73Å; L86-S88 PolarHBondContact O-N 3.32Å; L86-Y89 PolarHBondContact O-N 3.05Å; L86-I90 HydrophobicContact CD1-CD1 4.33Å; L86-I90 HydrophobicContact CD1-CG1 3.93Å; L86-I90 HydrophobicContact CG-CG1 4.44Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.27Å; L86-L152 HydrophobicContact CD1-CD2 3.96Å; L86-L159 HydrophobicContact CD2-CD1 3.63Å; L86-L173 HydrophobicContact CD2-CB 3.93Å; L86-L173 HydrophobicContact CD2-CD1 4.36Å; L86-L173 HydrophobicContact CG-CB 4.22Å; L86-V177 HydrophobicContact CD1-CG2 3.38Å
87	K	90.5	Very high	86.8	Confident	120 Å²	120	58 Å²	58	52%	0.522	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-45.3	178.4	-73.4	173.8	179.8	176.3	0	112.4	S83 S84 I90 A91 L173	S83-K87 WeakPolarHBondContact O-CG 3.43Å; S83-K87 PolarHBondContact O-N 2.98Å; S83-K87 VanDerWaalsContact O-N 3.11Å; S84-K87 PolarHBondContact O-N 3.43Å; K87-I90 PolarHBondContact O-N 3.25Å; K87-A91 WeakPolarHBondContact O-CB 3.26Å; K87-A91 PolarHBondContact O-N 3.18Å; K87-L173 HydrophobicContact CB-CD2 4.46Å; K87-L173 HydrophobicContact CG-CD1 3.96Å; K87-L173 HydrophobicContact CG-CD2 3.82Å
88	S	90.4	Very high	87	Confident	23 Å²	23	60.7 Å²	60.7	16%	0.161	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-47.5	177.3	-178.9	0	0	0	0	110.8	N79 S84 L85 L86 I90 A91 Q92	N79-S88 WeakPolarHBondContact ND2-CB 3.29Å; N79-S88 PolarHBondContact ND2-OG 3.43Å; S84-S88 WeakPolarHBondContact O-CB 3.3Å; S84-S88 PolarHBondContact O-N 3.17Å; L85-S88 PolarHBondContact O-N 3.06Å; L86-S88 PolarHBondContact O-N 3.32Å; S88-I90 PolarHBondContact O-N 3.43Å; S88-A91 PolarHBondContact O-N 2.91Å; S88-Q92 WeakPolarHBondContact O-CG 3.06Å; S88-Q92 PolarHBondContact O-N 3.1Å
89	Y	92.2	Very high	87.1	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-50	177	178	-99	0	0	0	111.7	V76 L85 L86 A91 Q92 W93 W140 I144 I148 L152 S180	V76-Y89 HydrophobicContact CG1-CD2 4.47Å; L85-Y89 VanDerWaalsContact O-CB 3.27Å; L85-Y89 WeakPolarHBondContact O-CB 3.29Å; L85-Y89 PolarHBondContact O-N 3.19Å; L86-Y89 PolarHBondContact O-N 3.05Å; Y89-A91 PolarHBondContact O-N 3.04Å; Y89-Q92 PolarHBondContact O-N 3.43Å; Y89-W93 HydrophobicContact CE1-CB 4.28Å; Y89-W93 VanDerWaalsContact O-CB 3.26Å; Y89-W93 WeakPolarHBondContact O-CB 3.44Å; Y89-W93 PolarHBondContact O-N 3.42Å; Y89-W140 HydrophobicContact CD2-CZ2 4.15Å; Y89-W140 AromaticContact CE2-CE2 3.93Å; Y89-W140 AromaticContact CE2-CZ2 3.58Å; Y89-W140 HydrophobicContact CE2-CZ2 3.58Å; Y89-W140 AromaticContact CE2-NE1 3.71Å; Y89-W140 AromaticContact CZ-NE1 3.76Å; Y89-W140 PolarHBondContact OH-NE1 3.46Å; Y89-I144 HydrophobicContact CD2-CG2 4.05Å; Y89-I144 HydrophobicContact CE2-CG2 3.81Å; Y89-I148 HydrophobicContact CD2-CD1 3.58Å; Y89-I148 HydrophobicContact CE2-CD1 4.05Å; Y89-I148 HydrophobicContact CG-CD1 4.3Å; Y89-L152 HydrophobicContact CD1-CD1 3.77Å; Y89-L152 HydrophobicContact CD1-CD2 3.84Å; Y89-L152 HydrophobicContact CD1-CG 4.47Å; Y89-L152 HydrophobicContact CD2-CD1 3.9Å; Y89-L152 HydrophobicContact CD2-CD2 4.46Å; Y89-L152 HydrophobicContact CE1-CD1 3.76Å; Y89-L152 HydrophobicContact CE2-CD1 3.86Å; Y89-L152 HydrophobicContact CG-CD1 3.84Å; Y89-L152 HydrophobicContact CG-CD2 3.75Å; Y89-L152 HydrophobicContact CG-CG 4.46Å; Y89-S180 PolarHBondContact OH-OG 2.97Å
90	I	92.2	Very high	87.4	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-40	-177.5	-61.1	-69.6	0	0	0	111.3	L86 K87 S88 Q92 W93 N94 L173 V177	L86-I90 HydrophobicContact CD1-CD1 4.33Å; L86-I90 HydrophobicContact CD1-CG1 3.93Å; L86-I90 HydrophobicContact CG-CG1 4.44Å; L86-I90 WeakPolarHBondContact O-CG1 3.47Å; L86-I90 PolarHBondContact O-N 3.27Å; K87-I90 PolarHBondContact O-N 3.25Å; S88-I90 PolarHBondContact O-N 3.43Å; I90-Q92 VanDerWaalsContact C-N 3.32Å; I90-Q92 PolarHBondContact O-N 3.26Å; I90-W93 PolarHBondContact O-N 3.5Å; I90-N94 WeakPolarHBondContact O-CB 3.29Å; I90-N94 PolarHBondContact O-N 3.49Å; I90-N94 PolarHBondContact O-ND2 3.37Å; I90-L173 HydrophobicContact CB-CD2 4.33Å; I90-L173 WeakPolarHBondContact CD1-O 3.46Å; I90-L173 HydrophobicContact CG1-CD2 4.3Å; I90-V177 HydrophobicContact CD1-CG2 3.79Å; I90-V177 VanDerWaalsContact CD1-N 3.29Å
91	A	90.9	Very high	88	Confident	48 Å²	48	43.5 Å²	43.5	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-41.4	175.4	0	0	0	0	0	112.1	K87 S88 Y89 K95	K87-A91 WeakPolarHBondContact O-CB 3.26Å; K87-A91 PolarHBondContact O-N 3.18Å; S88-A91 PolarHBondContact O-N 2.91Å; Y89-A91 PolarHBondContact O-N 3.04Å; A91-K95 WeakPolarHBondContact O-CG 3.39Å; A91-K95 PolarHBondContact O-N 3.46Å
92	Q	90.9	Very high	88	Confident	41 Å²	41	46.1 Å²	46.1	19%	0.192	23%	0.232	C	C	.	.	H	α-helix	trans	-75.9	-38.9	177.8	-60.7	-58.4	-16.8	0	0	112.2	V72 V76 S88 Y89 I90 N94 K95 F96 W140	V72-Q92 HydrophobicContact CG1-CB 3.7Å; V72-Q92 HydrophobicContact CG1-CG 3.9Å; V76-Q92 HydrophobicContact CG2-CB 4.4Å; V76-Q92 HydrophobicContact CG2-CG 4.07Å; S88-Q92 WeakPolarHBondContact O-CG 3.06Å; S88-Q92 PolarHBondContact O-N 3.1Å; Y89-Q92 PolarHBondContact O-N 3.43Å; I90-Q92 VanDerWaalsContact C-N 3.32Å; I90-Q92 PolarHBondContact O-N 3.26Å; Q92-N94 PolarHBondContact O-N 3.31Å; Q92-K95 PolarHBondContact O-N 3.28Å; Q92-F96 WeakPolarHBondContact O-CB 3.22Å; Q92-F96 PolarHBondContact O-N 2.84Å; Q92-W140 HydrophobicContact CB-CH2 4.11Å
93	W	91.7	Very high	88.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-45.6	174.8	173	-105.9	0	0	0	111.5	Y89 I90 K95 F96 S97 L137 W140 S180 N183 L184	Y89-W93 HydrophobicContact CE1-CB 4.28Å; Y89-W93 VanDerWaalsContact O-CB 3.26Å; Y89-W93 WeakPolarHBondContact O-CB 3.44Å; Y89-W93 PolarHBondContact O-N 3.42Å; I90-W93 PolarHBondContact O-N 3.5Å; W93-K95 VanDerWaalsContact C-N 3.26Å; W93-K95 PolarHBondContact O-N 3.11Å; W93-F96 HydrophobicContact CE3-CD1 4.18Å; W93-F96 AromaticContact CZ3-CD1 3.94Å; W93-F96 HydrophobicContact CZ3-CD1 3.94Å; W93-F96 HydrophobicContact CZ3-CE1 4.38Å; W93-F96 PolarHBondContact O-N 3.19Å; W93-F96 VanDerWaalsContact O-N 3.15Å; W93-S97 VanDerWaalsContact O-CB 3.28Å; W93-S97 WeakPolarHBondContact O-CB 3.17Å; W93-S97 PolarHBondContact O-N 3.49Å; W93-L137 HydrophobicContact CH2-CD2 3.81Å; W93-L137 HydrophobicContact CZ3-CD2 4.34Å; W93-W140 HydrophobicContact CB-CZ2 4.17Å; W93-W140 AromaticContact CE3-CD1 3.95Å; W93-W140 HydrophobicContact CE3-CD2 4.06Å; W93-W140 AromaticContact CE3-CE2 3.51Å; W93-W140 HydrophobicContact CE3-CG 4.32Å; W93-W140 AromaticContact CE3-CZ2 3.84Å; W93-W140 HydrophobicContact CE3-CZ2 3.84Å; W93-W140 AromaticContact CE3-NE1 3.43Å; W93-W140 AromaticContact CZ3-CD1 3.64Å; W93-W140 HydrophobicContact CZ3-CD2 4.17Å; W93-W140 AromaticContact CZ3-CE2 3.98Å; W93-W140 AromaticContact CZ3-CG 3.98Å; W93-W140 HydrophobicContact CZ3-CG 3.98Å; W93-W140 AromaticContact CZ3-NE1 3.63Å; W93-S180 VanDerWaalsContact CE2-CA 3.45Å; W93-S180 VanDerWaalsContact CZ2-CA 3.44Å; W93-N183 HydrophobicContact CH2-CB 4.02Å; W93-N183 HydrophobicContact CZ2-CB 3.75Å; W93-L184 HydrophobicContact CH2-CD2 4.19Å; W93-L184 HydrophobicContact CH2-CG 4.16Å; W93-L184 HydrophobicContact CZ3-CD2 4.17Å; W93-L184 HydrophobicContact CZ3-CG 4.38Å
94	N	90.2	Very high	88.5	Confident	67 Å²	67	39 Å²	39	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-62.6	-34.5	179.7	-73.1	-13.9	0	0	0	112.4	I90 Q92 K98	I90-N94 WeakPolarHBondContact O-CB 3.29Å; I90-N94 PolarHBondContact O-N 3.49Å; I90-N94 PolarHBondContact O-ND2 3.37Å; Q92-N94 PolarHBondContact O-N 3.31Å; N94-K98 WeakPolarHBondContact O-CG 3.04Å; N94-K98 PolarHBondContact O-N 2.89Å
95	K	89.9	Confident	88.5	Confident	95 Å²	95	40.4 Å²	40.4	41%	0.413	19%	0.194	S	C	.	.	H	α-helix	trans	-69.1	-49.3	172.6	-67.7	173.8	-177.4	-175.7	0	110.7	T28 A91 Q92 W93 K98 Q99	T28-K95 HydrophobicContact CG2-CB 4.37Å; T28-K95 HydrophobicContact CG2-CD 4.34Å; T28-K95 HydrophobicContact CG2-CG 4.5Å; A91-K95 WeakPolarHBondContact O-CG 3.39Å; A91-K95 PolarHBondContact O-N 3.46Å; Q92-K95 PolarHBondContact O-N 3.28Å; W93-K95 VanDerWaalsContact C-N 3.26Å; W93-K95 PolarHBondContact O-N 3.11Å; K95-K98 PolarHBondContact O-N 3.15Å; K95-Q99 WeakPolarHBondContact O-CG 3.14Å; K95-Q99 PolarHBondContact O-N 2.93Å
96	F	90.5	Very high	88.3	Confident	7 Å²	7	40.2 Å²	40.2	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-42.7	-177.8	-177.6	-100.4	0	0	0	113	I69 Q92 W93 K98 Q99 S100 M136 L137 W140	I69-F96 HydrophobicContact CD1-CE2 3.73Å; I69-F96 HydrophobicContact CD1-CZ 3.82Å; I69-F96 HydrophobicContact CG1-CE2 3.9Å; I69-F96 HydrophobicContact CG1-CZ 4.43Å; Q92-F96 WeakPolarHBondContact O-CB 3.22Å; Q92-F96 PolarHBondContact O-N 2.84Å; W93-F96 HydrophobicContact CE3-CD1 4.18Å; W93-F96 AromaticContact CZ3-CD1 3.94Å; W93-F96 HydrophobicContact CZ3-CD1 3.94Å; W93-F96 HydrophobicContact CZ3-CE1 4.38Å; W93-F96 PolarHBondContact O-N 3.19Å; W93-F96 VanDerWaalsContact O-N 3.15Å; F96-K98 VanDerWaalsContact C-N 3.34Å; F96-K98 PolarHBondContact O-N 3.16Å; F96-Q99 CarbonylContact O-C 3.6Å; F96-Q99 WeakPolarHBondContact O-CB 3.38Å; F96-Q99 PolarHBondContact O-N 2.95Å; F96-Q99 VanDerWaalsContact O-N 3.13Å; F96-S100 PolarHBondContact O-N 3.48Å; F96-M136 HydrophobicContact CD2-CE 4.37Å; F96-M136 HydrophobicContact CE2-CE 3.71Å; F96-M136 HydrophobicContact CZ-CB 3.84Å; F96-M136 HydrophobicContact CZ-CE 4.01Å; F96-M136 WeakPolarHBondContact CZ-O 3.12Å; F96-L137 HydrophobicContact CE1-CD2 4.43Å; F96-W140 HydrophobicContact CB-CE3 3.99Å; F96-W140 HydrophobicContact CB-CH2 4.18Å; F96-W140 HydrophobicContact CB-CZ3 3.63Å; F96-W140 HydrophobicContact CD1-CB 4.34Å; F96-W140 AromaticContact CD1-CD2 3.79Å; F96-W140 HydrophobicContact CD1-CD2 3.79Å; F96-W140 AromaticContact CD1-CE3 3.45Å; F96-W140 HydrophobicContact CD1-CE3 3.45Å; F96-W140 VanDerWaalsContact CD1-CE3 3.45Å; F96-W140 HydrophobicContact CD1-CG 4.17Å; F96-W140 HydrophobicContact CD1-CZ3 4.02Å; F96-W140 AromaticContact CD2-CE3 3.74Å; F96-W140 HydrophobicContact CD2-CE3 3.74Å; F96-W140 AromaticContact CD2-CZ3 3.96Å; F96-W140 HydrophobicContact CD2-CZ3 3.96Å; F96-W140 HydrophobicContact CE1-CB 3.62Å; F96-W140 AromaticContact CE1-CD2 3.98Å; F96-W140 HydrophobicContact CE1-CD2 3.98Å; F96-W140 AromaticContact CE1-CE3 3.77Å; F96-W140 HydrophobicContact CE1-CE3 3.77Å; F96-W140 AromaticContact CE1-CG 3.94Å; F96-W140 HydrophobicContact CE1-CG 3.94Å; F96-W140 HydrophobicContact CE2-CE3 4.03Å; F96-W140 HydrophobicContact CG-CD2 4.22Å; F96-W140 AromaticContact CG-CE3 3.42Å; F96-W140 HydrophobicContact CG-CE3 3.42Å; F96-W140 VanDerWaalsContact CG-CE3 3.42Å; F96-W140 HydrophobicContact CG-CH2 4.49Å; F96-W140 AromaticContact CG-CZ3 3.58Å; F96-W140 HydrophobicContact CG-CZ3 3.58Å; F96-W140 HydrophobicContact CZ-CB 3.92Å; F96-W140 HydrophobicContact CZ-CE3 4.03Å
97	S	87.5	Confident	88.1	Confident	13 Å²	13	40 Å²	40	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-58.9	-46.1	177.9	-170.7	0	0	0	0	110.6	W93 Q99 S100 E101	W93-S97 VanDerWaalsContact O-CB 3.28Å; W93-S97 WeakPolarHBondContact O-CB 3.17Å; W93-S97 PolarHBondContact O-N 3.49Å; S97-Q99 PolarHBondContact O-N 3.13Å; S97-S100 PolarHBondContact O-N 2.79Å; S97-S100 PolarHBondContact O-OG 2.97Å; S97-E101 PolarHBondContact O-N 2.64Å
98	K	86.7	Confident	87.6	Confident	128 Å²	128	36.6 Å²	36.6	56%	0.557	18%	0.183	S	C	*	.	H	α-helix	trans	-60.5	-45.8	173.5	-73.3	178.7	-178.1	-177.7	0	111.8	N94 K95 F96 S100 E101 Y102	N94-K98 WeakPolarHBondContact O-CG 3.04Å; N94-K98 PolarHBondContact O-N 2.89Å; K95-K98 PolarHBondContact O-N 3.15Å; F96-K98 VanDerWaalsContact C-N 3.34Å; F96-K98 PolarHBondContact O-N 3.16Å; K98-S100 VanDerWaalsContact C-N 3.27Å; K98-S100 PolarHBondContact O-N 3.05Å; K98-E101 WeakPolarHBondContact O-CB 3.47Å; K98-E101 PolarHBondContact O-N 2.78Å; K98-E101 VanDerWaalsContact O-N 3.08Å; K98-Y102 HydrophobicContact CB-CD2 4.48Å; K98-Y102 HydrophobicContact CB-CE2 4.08Å; K98-Y102 WeakPolarHBondContact O-CD2 3.33Å; K98-Y102 PolarHBondContact O-N 3.12Å
99	Q	87	Confident	86.9	Confident	20 Å²	20	36.7 Å²	36.7	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-38.9	176.4	-70.1	166	-20.4	0	0	111.9	I25 L26 K95 F96 S97 E101 Y102 L103 M136	I25-Q99 PolarHBondContact O-NE2 3.13Å; L26-Q99 VanDerWaalsContact C-NE2 3.29Å; L26-Q99 PolarHBondContact O-NE2 3.47Å; K95-Q99 WeakPolarHBondContact O-CG 3.14Å; K95-Q99 PolarHBondContact O-N 2.93Å; F96-Q99 CarbonylContact O-C 3.6Å; F96-Q99 WeakPolarHBondContact O-CB 3.38Å; F96-Q99 PolarHBondContact O-N 2.95Å; F96-Q99 VanDerWaalsContact O-N 3.13Å; S97-Q99 PolarHBondContact O-N 3.13Å; Q99-E101 PolarHBondContact O-N 3.31Å; Q99-Y102 PolarHBondContact O-N 2.91Å; Q99-L103 WeakPolarHBondContact O-CB 3.38Å; Q99-L103 PolarHBondContact O-N 3.48Å; Q99-M136 HydrophobicContact CB-CE 4.38Å
100	S	86.3	Confident	86.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-13.9	177.7	80.8	0	0	0	0	114.1	F96 S97 K98 P104 R133	F96-S100 PolarHBondContact O-N 3.48Å; S97-S100 PolarHBondContact O-N 2.79Å; S97-S100 PolarHBondContact O-OG 2.97Å; K98-S100 VanDerWaalsContact C-N 3.27Å; K98-S100 PolarHBondContact O-N 3.05Å; S100-P104 WeakPolarHBondContact O-CD 3.23Å; S100-P104 WeakPolarHBondContact O-CG 3.33Å; S100-R133 VanDerWaalsContact C-NH1 3.34Å; S100-R133 PolarHBondContact O-NH1 2.83Å; S100-R133 PolarHBondContact OG-NH1 2.89Å
101	E	83.7	Confident	85.2	Confident	71 Å²	71	37.9 Å²	37.9	33%	0.332	19%	0.189	S	C	.	.	H	α-helix	trans	-89.4	-38.8	172.6	-71.1	173.5	-171.4	0	0	112.2	S97 K98 Q99 Q105 L127	S97-E101 PolarHBondContact O-N 2.64Å; K98-E101 WeakPolarHBondContact O-CB 3.47Å; K98-E101 PolarHBondContact O-N 2.78Å; K98-E101 VanDerWaalsContact O-N 3.08Å; Q99-E101 PolarHBondContact O-N 3.31Å; E101-Q105 PolarHBondContact O-NE2 2.98Å; E101-L127 WeakPolarHBondContact O-CD2 3.31Å
102	Y	84.4	Confident	84.3	Confident	125 Å²	125	41 Å²	41	49%	0.49	20%	0.199	S	C	.	.	H	α-helix	trans	-86.5	-44.8	-177	-58.4	-58.9	0	0	0	112.9	W36 K98 Q99 P104 Q105	W36-Y102 WeakPolarHBondContact CH2-O 3.44Å; K98-Y102 HydrophobicContact CB-CD2 4.48Å; K98-Y102 HydrophobicContact CB-CE2 4.08Å; K98-Y102 WeakPolarHBondContact O-CD2 3.33Å; K98-Y102 PolarHBondContact O-N 3.12Å; Q99-Y102 PolarHBondContact O-N 2.91Å; Y102-P104 VanDerWaalsContact C-CD 3.42Å; Y102-P104 VanDerWaalsContact C-N 3.31Å; Y102-Q105 WeakPolarHBondContact O-CB 3.49Å; Y102-Q105 WeakPolarHBondContact O-CG 3.46Å; Y102-Q105 PolarHBondContact O-N 2.94Å
103	L	86	Confident	83.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.7	-172.5	-172.8	66.4	0	0	0	113.6	V22 I25 L26 Q99 Q105 P106 F107 M136	V22-L103 HydrophobicContact CB-CD1 4.48Å; V22-L103 HydrophobicContact CG1-CD1 4.15Å; V22-L103 HydrophobicContact CG1-CD2 4.33Å; V22-L103 HydrophobicContact CG2-CD1 4.18Å; I25-L103 HydrophobicContact CB-CD1 4.39Å; I25-L103 HydrophobicContact CD1-CD1 3.95Å; I25-L103 HydrophobicContact CG2-CD1 4.15Å; L26-L103 HydrophobicContact CD2-CD2 3.98Å; L26-L103 HydrophobicContact CG-CD2 4.3Å; Q99-L103 WeakPolarHBondContact O-CB 3.38Å; Q99-L103 PolarHBondContact O-N 3.48Å; L103-Q105 VanDerWaalsContact C-N 3.33Å; L103-Q105 PolarHBondContact O-N 3.45Å; L103-P106 VanDerWaalsContact O-CD 3.23Å; L103-P106 WeakPolarHBondContact O-CD 3.04Å; L103-F107 HydrophobicContact CD1-CE2 4.35Å; L103-F107 HydrophobicContact CG-CE2 4.43Å; L103-F107 WeakPolarHBondContact O-CD2 3.37Å; L103-F107 WeakPolarHBondContact O-CE2 3.42Å; L103-M136 HydrophobicContact CB-SD 4.2Å; L103-M136 HydrophobicContact CD2-CE 3.98Å; L103-M136 HydrophobicContact CD2-SD 3.66Å; L103-M136 HydrophobicContact CG-SD 4.43Å
104	P	84.7	Confident	82.3	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.026	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.2	177.7	-22.6	34.4	0	0	0	115.6	S100 Y102 F107 S108 S130 I132 R133	S100-P104 WeakPolarHBondContact O-CD 3.23Å; S100-P104 WeakPolarHBondContact O-CG 3.33Å; Y102-P104 VanDerWaalsContact C-CD 3.42Å; Y102-P104 VanDerWaalsContact C-N 3.31Å; P104-F107 CarbonylContact O-C 3.56Å; P104-F107 WeakPolarHBondContact O-CA 3.4Å; P104-F107 WeakPolarHBondContact O-CB 3.31Å; P104-F107 PolarHBondContact O-N 2.82Å; P104-S108 PolarHBondContact O-N 2.89Å; P104-S130 WeakPolarHBondContact CB-OG 3.48Å; P104-I132 HydrophobicContact CB-CB 4.33Å; P104-I132 HydrophobicContact CB-CG2 4.44Å; P104-I132 HydrophobicContact CG-CB 4.45Å; P104-I132 HydrophobicContact CG-CG2 4.23Å; P104-R133 HydrophobicContact CG-CB 3.97Å
105	Q	85.1	Confident	81	Confident	71 Å²	71	47.3 Å²	47.3	33%	0.332	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-57.3	-44.5	-171.6	-56.8	177.8	1.7	0	0	113.8	W36 F40 E101 Y102 L103 F107 S108	W36-Q105 HydrophobicContact CZ2-CB 4.4Å; F40-Q105 WeakPolarHBondContact CE1-O 3.39Å; F40-Q105 HydrophobicContact CZ-CB 4.02Å; E101-Q105 PolarHBondContact O-NE2 2.98Å; Y102-Q105 WeakPolarHBondContact O-CB 3.49Å; Y102-Q105 WeakPolarHBondContact O-CG 3.46Å; Y102-Q105 PolarHBondContact O-N 2.94Å; L103-Q105 VanDerWaalsContact C-N 3.33Å; L103-Q105 PolarHBondContact O-N 3.45Å; Q105-F107 PolarHBondContact O-N 3.35Å; Q105-S108 WeakPolarHBondContact O-CB 3.35Å; Q105-S108 PolarHBondContact O-N 3.17Å; Q105-S108 VanDerWaalsContact O-N 3.14Å
106	P	83.8	Confident	79.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-65.5	-17.2	177.9	-22.6	39.3	0	0	0	113.9	W36 M39 F40 L103	W36-P106 HydrophobicContact CD2-CG 4.31Å; W36-P106 HydrophobicContact CE3-CG 4.19Å; W36-P106 HydrophobicContact CH2-CG 3.3Å; W36-P106 HydrophobicContact CZ2-CG 3.42Å; W36-P106 VanDerWaalsContact CZ2-CG 3.42Å; W36-P106 HydrophobicContact CZ3-CG 3.71Å; M39-P106 HydrophobicContact CE-CB 3.53Å; M39-P106 HydrophobicContact CE-CG 3.28Å; M39-P106 HydrophobicContact CG-CB 4.24Å; F40-P106 HydrophobicContact CD1-CB 4.41Å; F40-P106 HydrophobicContact CD2-CB 3.88Å; F40-P106 HydrophobicContact CD2-CG 4.06Å; F40-P106 VanDerWaalsContact CE1-CA 3.45Å; F40-P106 HydrophobicContact CE1-CB 4.38Å; F40-P106 HydrophobicContact CE2-CB 3.81Å; F40-P106 HydrophobicContact CE2-CG 3.53Å; F40-P106 HydrophobicContact CG-CB 4.17Å; F40-P106 HydrophobicContact CZ-CB 4.08Å; F40-P106 HydrophobicContact CZ-CG 3.83Å; L103-P106 VanDerWaalsContact O-CD 3.23Å; L103-P106 WeakPolarHBondContact O-CD 3.04Å
107	F	85.3	Confident	77.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-98.5	10	178.5	-57.1	-87.3	0	0	0	113.1	W15 V18 V22 V43 I57 L61 L103 P104 Q105 P109 L110 E111 I132	W15-F107 HydrophobicContact CH2-CE1 4.15Å; W15-F107 HydrophobicContact CZ3-CE1 4.03Å; V18-F107 HydrophobicContact CG1-CE1 4.49Å; V18-F107 HydrophobicContact CG1-CZ 4.4Å; V22-F107 HydrophobicContact CG2-CE2 4.42Å; V22-F107 HydrophobicContact CG2-CZ 3.92Å; V43-F107 HydrophobicContact CG1-CD1 3.89Å; V43-F107 HydrophobicContact CG2-CD1 3.99Å; V43-F107 HydrophobicContact CG2-CE1 3.87Å; I57-F107 HydrophobicContact CG2-CD1 4.44Å; I57-F107 HydrophobicContact CG2-CE1 4.31Å; L61-F107 HydrophobicContact CD1-CZ 4.13Å; L61-F107 HydrophobicContact CD2-CZ 4.45Å; L103-F107 HydrophobicContact CD1-CE2 4.35Å; L103-F107 HydrophobicContact CG-CE2 4.43Å; L103-F107 WeakPolarHBondContact O-CD2 3.37Å; L103-F107 WeakPolarHBondContact O-CE2 3.42Å; P104-F107 CarbonylContact O-C 3.56Å; P104-F107 WeakPolarHBondContact O-CA 3.4Å; P104-F107 WeakPolarHBondContact O-CB 3.31Å; P104-F107 PolarHBondContact O-N 2.82Å; Q105-F107 PolarHBondContact O-N 3.35Å; F107-P109 VanDerWaalsContact O-N 3.14Å; F107-L110 HydrophobicContact CB-CB 4.31Å; F107-L110 HydrophobicContact CD1-CD2 4.42Å; F107-L110 WeakPolarHBondContact O-CA 3.48Å; F107-L110 WeakPolarHBondContact O-CB 3.22Å; F107-L110 PolarHBondContact O-N 2.95Å; F107-E111 PolarHBondContact O-N 2.67Å; F107-I132 HydrophobicContact CB-CD1 3.16Å; F107-I132 HydrophobicContact CD1-CD1 3.89Å; F107-I132 HydrophobicContact CD2-CD1 3.64Å; F107-I132 HydrophobicContact CE2-CD1 4.48Å; F107-I132 HydrophobicContact CG-CD1 3.29Å
108	S	79.5	Confident	74.9	Confident	48 Å²	48	60 Å²	60	34%	0.336	30%	0.304	S	S	.	.	H	α-helix	trans	-51.9	-34.7	173.3	75.5	0	0	0	0	114.1	P104 Q105 L110 E111 N112	P104-S108 PolarHBondContact O-N 2.89Å; Q105-S108 WeakPolarHBondContact O-CB 3.35Å; Q105-S108 PolarHBondContact O-N 3.17Å; Q105-S108 VanDerWaalsContact O-N 3.14Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.28Å; S108-E111 PolarHBondContact O-N 3.04Å; S108-N112 WeakPolarHBondContact O-CB 3.38Å; S108-N112 PolarHBondContact O-N 2.85Å; S108-N112 PolarHBondContact O-ND2 3.34Å
109	P	75.5	Confident	72.6	Confident	24 Å²	24	62.2 Å²	62.2	16%	0.156	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-36.9	174.5	-19.8	34	0	0	0	112.7	H44 F107 Y113	H44-P109 HydrophobicContact CB-CG 4.2Å; F107-P109 VanDerWaalsContact O-N 3.14Å; P109-Y113 WeakPolarHBondContact O-CB 3.36Å; P109-Y113 PolarHBondContact O-N 2.93Å
110	L	76.7	Confident	70.1	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-46.1	175.3	-170.5	81.2	0	0	0	110.5	V47 T54 I57 I58 F107 S108 Y113 L114 I132	V47-L110 HydrophobicContact CG2-CB 4.07Å; V47-L110 HydrophobicContact CG2-CD1 3.48Å; V47-L110 VanDerWaalsContact CG2-CD1 3.48Å; V47-L110 HydrophobicContact CG2-CG 4.41Å; T54-L110 HydrophobicContact CG2-CD1 3.43Å; T54-L110 VanDerWaalsContact CG2-CD1 3.43Å; T54-L110 HydrophobicContact CG2-CG 4.25Å; I57-L110 HydrophobicContact CD1-CD1 4.13Å; I57-L110 HydrophobicContact CG2-CD1 4.33Å; I57-L110 HydrophobicContact CG2-CD2 3.85Å; I58-L110 HydrophobicContact CG1-CD2 4.14Å; F107-L110 HydrophobicContact CB-CB 4.31Å; F107-L110 HydrophobicContact CD1-CD2 4.42Å; F107-L110 WeakPolarHBondContact O-CA 3.48Å; F107-L110 WeakPolarHBondContact O-CB 3.22Å; F107-L110 PolarHBondContact O-N 2.95Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.28Å; L110-Y113 PolarHBondContact O-N 2.75Å; L110-L114 HydrophobicContact CG-CD1 4.14Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 2.57Å; L110-I132 HydrophobicContact CD2-CD1 4.17Å
111	E	73.6	Confident	67.9	Low	33 Å²	33	72.9 Å²	72.9	15%	0.154	39%	0.394	C	S	.	.	H	α-helix	trans	-65.4	-44	179.5	-64.7	-175.8	166.6	0	0	111.7	F107 S108 Y113 L114 V115 S130 T131	F107-E111 PolarHBondContact O-N 2.67Å; S108-E111 PolarHBondContact O-N 3.04Å; E111-Y113 VanDerWaalsContact C-N 3.28Å; E111-Y113 PolarHBondContact O-N 2.9Å; E111-L114 PolarHBondContact O-N 2.92Å; E111-V115 WeakPolarHBondContact O-CB 3.46Å; E111-V115 VanDerWaalsContact O-CG2 3.3Å; E111-V115 WeakPolarHBondContact O-CG2 3.29Å; E111-V115 PolarHBondContact O-N 3.39Å; E111-S130 VanDerWaalsContact OE1-CA 3.29Å; E111-S130 WeakPolarHBondContact OE1-CA 3.36Å; E111-S130 WeakPolarHBondContact OE1-CB 3.18Å; E111-S130 PolarHBondContact OE1-OG 2.86Å; E111-T131 PolarHBondContact OE1-N 2.89Å
112	N	72.4	Confident	65.6	Low	114 Å²	114	75.6 Å²	75.6	61%	0.61	42%	0.417	S	S	*	.	H	α-helix	trans	-61.5	-36.7	174.7	-68.9	-23.3	0	0	0	112.1	S108 G116	S108-N112 WeakPolarHBondContact O-CB 3.38Å; S108-N112 PolarHBondContact O-N 2.85Å; S108-N112 PolarHBondContact O-ND2 3.34Å; N112-G116 WeakPolarHBondContact O-CA 3.25Å; N112-G116 PolarHBondContact O-N 2.99Å
113	Y	70.7	Confident	63.3	Low	77 Å²	77	77 Å²	77	30%	0.302	43%	0.434	S	S	.	.	H	α-helix	trans	-68.7	-39.8	176	-178.9	-93.2	0	0	0	112.1	V47 E51 T54 P109 L110 E111	V47-Y113 HydrophobicContact CG1-CD1 4.49Å; V47-Y113 HydrophobicContact CG1-CD2 4.39Å; V47-Y113 HydrophobicContact CG1-CG 3.97Å; E51-Y113 WeakPolarHBondContact CG-OH 3.36Å; E51-Y113 PolarHBondContact OE1-OH 2.92Å; T54-Y113 HydrophobicContact CG2-CD1 4.07Å; T54-Y113 HydrophobicContact CG2-CE1 4.38Å; P109-Y113 WeakPolarHBondContact O-CB 3.36Å; P109-Y113 PolarHBondContact O-N 2.93Å; L110-Y113 PolarHBondContact O-N 2.75Å; E111-Y113 VanDerWaalsContact C-N 3.28Å; E111-Y113 PolarHBondContact O-N 2.9Å
114	L	68.3	Low	61	Low	72 Å²	72	85.3 Å²	85.3	38%	0.377	47%	0.47	S	S	.	.	H	α-helix	trans	-70.3	-39.3	177.9	-69.8	166.1	0	0	0	112.8	T54 I58 L110 E111	T54-L114 HydrophobicContact CG2-CD2 3.78Å; T54-L114 HydrophobicContact CG2-CG 4.14Å; I58-L114 HydrophobicContact CD1-CD1 3.91Å; I58-L114 HydrophobicContact CD1-CD2 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.14Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.38Å; L110-L114 PolarHBondContact O-N 2.57Å; E111-L114 PolarHBondContact O-N 2.92Å
115	V	64.1	Low	58.8	Low	90 Å²	90	97.4 Å²	97.4	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-79.3	-30.1	178.4	178.9	0	0	0	0	111.1	E111 K117 H118	E111-V115 WeakPolarHBondContact O-CB 3.46Å; E111-V115 VanDerWaalsContact O-CG2 3.3Å; E111-V115 WeakPolarHBondContact O-CG2 3.29Å; E111-V115 PolarHBondContact O-N 3.39Å; V115-K117 PolarHBondContact O-N 3.28Å; V115-H118 PolarHBondContact O-N 3.01Å; V115-H118 VanDerWaalsContact O-O 3.07Å
116	G	51.5	Low	56.8	Low	62 Å²	62	100.2 Å²	100.2	64%	0.639	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	10.6	-175.3	0	0	0	0	0	117.9	N112	N112-G116 WeakPolarHBondContact O-CA 3.25Å; N112-G116 PolarHBondContact O-N 2.99Å
117	K	48.9	Very low	54.9	Low	164 Å²	164	104.8 Å²	104.8	71%	0.713	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-8.3	162.5	-83	-175.9	177.6	172.5	0	113.9	V115	V115-K117 PolarHBondContact O-N 3.28Å
118	H	39.4	Very low	53.2	Low	155 Å²	155	111.3 Å²	111.3	72%	0.718	58%	0.582	S	S	*	*	S	Bend	trans	-142.4	117.3	173.3	-76.4	-73.9	0	0	0	111.3	V115	V115-H118 PolarHBondContact O-N 3.01Å; V115-H118 VanDerWaalsContact O-O 3.07Å
119	L	38.3	Very low	52.1	Low	176 Å²	176	117.5 Å²	117.5	92%	0.921	61%	0.605	S	S	*	*			trans	99.6	98.8	166.7	-54.8	159.4	0	0	0	116.9
120	N	33	Very low	51.9	Low	182 Å²	182	116.5 Å²	116.5	97%	0.973	60%	0.599	S	S	*	*			trans	-79.9	107.8	158.2	-83.5	-23.2	0	0	0	109.2
121	G	40.8	Very low	51.9	Low	62 Å²	62	119.5 Å²	119.5	64%	0.639	62%	0.618	S	S	*	*			trans	-164.4	135.7	170.6	0	0	0	0	0	112.1	N123	G121-N123 PolarHBondContact O-N 3.19Å; G121-N123 VanDerWaalsContact O-N 3.15Å
122	P	36.7	Very low	52.3	Low	127 Å²	127	118.2 Å²	118.2	83%	0.825	61%	0.612	S	S	*	*			trans	-87.3	83.6	-177.9	35	-29.6	0	0	0	108.9
123	N	35.1	Very low	52.9	Low	156 Å²	156	113.9 Å²	113.9	83%	0.834	59%	0.587	S	S	*	*			trans	-140.4	116.4	168	-90.8	-32.6	0	0	0	112	G121	G121-N123 PolarHBondContact O-N 3.19Å; G121-N123 VanDerWaalsContact O-N 3.15Å
124	K	38.1	Very low	53.4	Low	174 Å²	174	114.4 Å²	114.4	76%	0.757	59%	0.591	S	S	*	*			trans	15.8	105.6	161.6	-70.1	178.9	176.8	177.4	0	118	H126	K124-H126 PolarHBondContact O-N 3.42Å
125	R	38.2	Very low	54.2	Low	258 Å²	258	112.4 Å²	112.4	97%	0.974	58%	0.58	S	S	*	*			trans	-29.2	97.2	146.6	-57.8	172.1	-172.6	167.6	0.8	112.2
126	H	43	Very low	55.3	Low	130 Å²	130	108.1 Å²	108.1	60%	0.602	55%	0.554	S	S	*	*			trans	-110.9	121	162	-85.7	-76.2	0	0	0	108.4	K124 Q128 E129	K124-H126 PolarHBondContact O-N 3.42Å; H126-Q128 PolarHBondContact O-N 3.24Å; H126-E129 PolarHBondContact O-N 3.43Å
127	L	44.6	Very low	57	Low	96 Å²	96	105.2 Å²	105.2	50%	0.503	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-55.5	-7.7	176.3	-120.4	81.9	0	0	0	114.2	E101 E129	E101-L127 WeakPolarHBondContact O-CD2 3.31Å; L127-E129 VanDerWaalsContact C-N 3.35Å
128	Q	47.9	Very low	58.8	Low	136 Å²	136	101.3 Å²	101.3	64%	0.636	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-70.7	-24.2	-177.9	-96.2	172.3	-24.3	0	0	113.8	H126	H126-Q128 PolarHBondContact O-N 3.24Å
129	E	56.5	Low	61	Low	178 Å²	178	94.2 Å²	94.2	83%	0.832	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-100	19.4	-180	-70.2	-176.4	166.3	0	0	113.5	H126 L127 T131	H126-E129 PolarHBondContact O-N 3.43Å; L127-E129 VanDerWaalsContact C-N 3.35Å; E129-T131 PolarHBondContact O-N 3.45Å
130	S	71.7	Confident	63.5	Low	3 Å²	3	85.9 Å²	85.9	2%	0.021	43%	0.432	C	S	.	.			trans	-64.8	118.1	174.1	160.8	0	0	0	0	110.6	P104 E111 I132 R133 K134	P104-S130 WeakPolarHBondContact CB-OG 3.48Å; E111-S130 VanDerWaalsContact OE1-CA 3.29Å; E111-S130 WeakPolarHBondContact OE1-CA 3.36Å; E111-S130 WeakPolarHBondContact OE1-CB 3.18Å; E111-S130 PolarHBondContact OE1-OG 2.86Å; S130-I132 PolarHBondContact O-N 3.34Å; S130-I132 PolarHBondContact OG-N 3.06Å; S130-R133 PolarHBondContact O-N 2.93Å; S130-R133 WeakPolarHBondContact OG-CB 3.33Å; S130-R133 PolarHBondContact OG-N 3.29Å; S130-K134 WeakPolarHBondContact O-CB 3.43Å; S130-K134 PolarHBondContact O-N 3.41Å
131	T	76.9	Confident	66.1	Low	65 Å²	65	78.7 Å²	78.7	40%	0.399	39%	0.394	S	S	.	.	H	α-helix	trans	-56.7	-34.1	174.8	-49.5	0	0	0	0	111.4	E111 E129 L135	E111-T131 PolarHBondContact OE1-N 2.89Å; E129-T131 PolarHBondContact O-N 3.45Å; T131-L135 WeakPolarHBondContact O-CB 3.28Å; T131-L135 PolarHBondContact O-N 3.5Å
132	I	81.8	Confident	68.3	Low	5 Å²	5	79.8 Å²	79.8	3%	0.026	39%	0.392	C	S	.	.	H	α-helix	trans	-74.3	-43	179.1	-66.2	171.7	0	0	0	111.2	L61 P104 F107 L110 S130 K134 L135 M136	L61-I132 HydrophobicContact CD2-CB 4.33Å; L61-I132 HydrophobicContact CD2-CD1 3.76Å; L61-I132 HydrophobicContact CD2-CG1 3.79Å; L61-I132 HydrophobicContact CD2-CG2 3.65Å; P104-I132 HydrophobicContact CB-CB 4.33Å; P104-I132 HydrophobicContact CB-CG2 4.44Å; P104-I132 HydrophobicContact CG-CB 4.45Å; P104-I132 HydrophobicContact CG-CG2 4.23Å; F107-I132 HydrophobicContact CB-CD1 3.16Å; F107-I132 HydrophobicContact CD1-CD1 3.89Å; F107-I132 HydrophobicContact CD2-CD1 3.64Å; F107-I132 HydrophobicContact CE2-CD1 4.48Å; F107-I132 HydrophobicContact CG-CD1 3.29Å; L110-I132 HydrophobicContact CD2-CD1 4.17Å; S130-I132 PolarHBondContact O-N 3.34Å; S130-I132 PolarHBondContact OG-N 3.06Å; I132-K134 VanDerWaalsContact C-N 3.27Å; I132-K134 PolarHBondContact O-N 2.86Å; I132-L135 WeakPolarHBondContact O-CB 3.43Å; I132-L135 PolarHBondContact O-N 3.42Å; I132-M136 HydrophobicContact CG2-SD 4.45Å; I132-M136 WeakPolarHBondContact O-CG 3.46Å; I132-M136 PolarHBondContact O-N 2.69Å
133	R	84.9	Confident	70.6	Confident	23 Å²	23	75 Å²	75	9%	0.087	36%	0.36	C	S	.	.	H	α-helix	trans	-58.4	-44.5	172.6	-175.4	-177.7	178.2	91	-6.9	110.3	S100 P104 S130 M136 L137	S100-R133 VanDerWaalsContact C-NH1 3.34Å; S100-R133 PolarHBondContact O-NH1 2.83Å; S100-R133 PolarHBondContact OG-NH1 2.89Å; P104-R133 HydrophobicContact CG-CB 3.97Å; S130-R133 PolarHBondContact O-N 2.93Å; S130-R133 WeakPolarHBondContact OG-CB 3.33Å; S130-R133 PolarHBondContact OG-N 3.29Å; R133-M136 PolarHBondContact O-N 3.46Å; R133-L137 HydrophobicContact CG-CD1 3.93Å; R133-L137 HydrophobicContact CG-CG 4.43Å; R133-L137 WeakPolarHBondContact O-CB 2.99Å; R133-L137 VanDerWaalsContact O-CG 3.32Å; R133-L137 WeakPolarHBondContact O-CG 3.13Å; R133-L137 PolarHBondContact O-N 3.49Å
134	K	82.4	Confident	73.1	Confident	89 Å²	89	67.6 Å²	67.6	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-58.2	-49.3	176.5	-168.4	179.9	179.5	172.5	0	111.3	S130 I132 M136 L137 E138 L187	S130-K134 WeakPolarHBondContact O-CB 3.43Å; S130-K134 PolarHBondContact O-N 3.41Å; I132-K134 VanDerWaalsContact C-N 3.27Å; I132-K134 PolarHBondContact O-N 2.86Å; K134-M136 PolarHBondContact O-N 2.94Å; K134-L137 PolarHBondContact O-N 2.79Å; K134-E138 WeakPolarHBondContact CE-OE1 3.5Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 WeakPolarHBondContact O-CG 3.2Å; K134-E138 PolarHBondContact O-N 3.26Å; K134-L187 HydrophobicContact CB-CD2 4.36Å; K134-L187 VanDerWaalsContact CE-O 3.31Å; K134-L187 WeakPolarHBondContact CE-O 3.37Å; K134-L187 HydrophobicContact CG-CD2 3.64Å; K134-L187 VanDerWaalsContact O-CD2 3.29Å; K134-L187 WeakPolarHBondContact O-CD2 3.39Å
135	L	83.9	Confident	75.5	Confident	29 Å²	29	59.4 Å²	59.4	15%	0.152	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-45.5	175.8	174.8	69	0	0	0	112.7	T62 T131 I132 E138 T139	T62-L135 HydrophobicContact CG2-CD1 3.89Å; T62-L135 WeakPolarHBondContact OG1-CD2 3.41Å; T131-L135 WeakPolarHBondContact O-CB 3.28Å; T131-L135 PolarHBondContact O-N 3.5Å; I132-L135 WeakPolarHBondContact O-CB 3.43Å; I132-L135 PolarHBondContact O-N 3.42Å; L135-E138 PolarHBondContact O-N 3.2Å; L135-T139 WeakPolarHBondContact O-CB 3.46Å; L135-T139 PolarHBondContact O-N 2.73Å; L135-T139 PolarHBondContact O-OG1 3.35Å
136	M	88.3	Confident	77.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-49.6	177.4	-74.2	-177.6	76	0	0	111	L26 V65 F96 Q99 L103 I132 R133 K134 T139 W140	L26-M136 HydrophobicContact CD2-CE 3.87Å; V65-M136 HydrophobicContact CG1-CG 4.08Å; V65-M136 HydrophobicContact CG2-CG 4.14Å; F96-M136 HydrophobicContact CD2-CE 4.37Å; F96-M136 HydrophobicContact CE2-CE 3.71Å; F96-M136 HydrophobicContact CZ-CB 3.84Å; F96-M136 HydrophobicContact CZ-CE 4.01Å; F96-M136 WeakPolarHBondContact CZ-O 3.12Å; Q99-M136 HydrophobicContact CB-CE 4.38Å; L103-M136 HydrophobicContact CB-SD 4.2Å; L103-M136 HydrophobicContact CD2-CE 3.98Å; L103-M136 HydrophobicContact CD2-SD 3.66Å; L103-M136 HydrophobicContact CG-SD 4.43Å; I132-M136 HydrophobicContact CG2-SD 4.45Å; I132-M136 WeakPolarHBondContact O-CG 3.46Å; I132-M136 PolarHBondContact O-N 2.69Å; R133-M136 PolarHBondContact O-N 3.46Å; K134-M136 PolarHBondContact O-N 2.94Å; M136-T139 PolarHBondContact O-N 3.13Å; M136-W140 PolarHBondContact O-N 3.26Å
137	L	87.7	Confident	79.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-39.7	179.7	-69.7	173.4	0	0	0	112.1	W93 F96 R133 K134 T139 W140 N141 L184 L187	W93-L137 HydrophobicContact CH2-CD2 3.81Å; W93-L137 HydrophobicContact CZ3-CD2 4.34Å; F96-L137 HydrophobicContact CE1-CD2 4.43Å; R133-L137 HydrophobicContact CG-CD1 3.93Å; R133-L137 HydrophobicContact CG-CG 4.43Å; R133-L137 WeakPolarHBondContact O-CB 2.99Å; R133-L137 VanDerWaalsContact O-CG 3.32Å; R133-L137 WeakPolarHBondContact O-CG 3.13Å; R133-L137 PolarHBondContact O-N 3.49Å; K134-L137 PolarHBondContact O-N 2.79Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 2.81Å; L137-W140 PolarHBondContact O-N 3.18Å; L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 2.83Å; L137-L184 HydrophobicContact CB-CD2 4.29Å; L137-L184 HydrophobicContact CD2-CD2 4.07Å; L137-L184 WeakPolarHBondContact O-CD2 3.43Å; L137-L187 HydrophobicContact CB-CD1 4.09Å; L137-L187 HydrophobicContact CB-CD2 3.53Å; L137-L187 HydrophobicContact CB-CG 4.06Å; L137-L187 HydrophobicContact CD1-CD2 4.43Å
138	E	85.6	Confident	82	Confident	83 Å²	83	44.2 Å²	44.2	39%	0.388	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-41.3	174.6	-79.4	175.1	-176.8	0	0	111.8	K134 L135 N141 S142 L187	K134-E138 WeakPolarHBondContact CE-OE1 3.5Å; K134-E138 WeakPolarHBondContact O-CB 3.36Å; K134-E138 WeakPolarHBondContact O-CG 3.2Å; K134-E138 PolarHBondContact O-N 3.26Å; L135-E138 PolarHBondContact O-N 3.2Å; E138-N141 PolarHBondContact O-N 3.3Å; E138-S142 WeakPolarHBondContact O-CB 3.33Å; E138-S142 PolarHBondContact O-N 3.19Å; E138-S142 PolarHBondContact O-OG 3.26Å; E138-L187 HydrophobicContact CB-CD1 4.47Å; E138-L187 HydrophobicContact CG-CD1 3.89Å; E138-L187 HydrophobicContact CG-CD2 3.65Å; E138-L187 HydrophobicContact CG-CG 4.23Å
139	T	86.4	Confident	83.9	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-42	177.7	-52.3	0	0	0	0	110.6	V65 K66 I69 L135 M136 L137 S142 T143	V65-T139 HydrophobicContact CG1-CG2 4.38Å; K66-T139 HydrophobicContact CB-CG2 4.33Å; K66-T139 HydrophobicContact CG-CG2 3.48Å; K66-T139 VanDerWaalsContact CG-CG2 3.48Å; I69-T139 HydrophobicContact CB-CG2 4.4Å; I69-T139 HydrophobicContact CD1-CG2 3.53Å; I69-T139 HydrophobicContact CG2-CG2 4.47Å; L135-T139 WeakPolarHBondContact O-CB 3.46Å; L135-T139 PolarHBondContact O-N 2.73Å; L135-T139 PolarHBondContact O-OG1 3.35Å; M136-T139 PolarHBondContact O-N 3.13Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 2.81Å; T139-S142 PolarHBondContact O-OG 2.89Å; T139-T143 WeakPolarHBondContact O-CB 3.37Å; T139-T143 PolarHBondContact O-N 3.34Å; T139-T143 PolarHBondContact O-OG1 3.25Å
140	W	90	Very high	85.5	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-44.5	174.3	-176.5	-82.8	0	0	0	111.7	I69 V72 Y89 Q92 W93 F96 M136 L137 I144 Y145 L184	I69-W140 HydrophobicContact CD1-CB 4.4Å; I69-W140 HydrophobicContact CG1-CE3 4.42Å; V72-W140 HydrophobicContact CG1-CH2 3.95Å; V72-W140 HydrophobicContact CG1-CZ3 3.93Å; Y89-W140 HydrophobicContact CD2-CZ2 4.15Å; Y89-W140 AromaticContact CE2-CE2 3.93Å; Y89-W140 AromaticContact CE2-CZ2 3.58Å; Y89-W140 HydrophobicContact CE2-CZ2 3.58Å; Y89-W140 AromaticContact CE2-NE1 3.71Å; Y89-W140 AromaticContact CZ-NE1 3.76Å; Y89-W140 PolarHBondContact OH-NE1 3.46Å; Q92-W140 HydrophobicContact CB-CH2 4.11Å; W93-W140 HydrophobicContact CB-CZ2 4.17Å; W93-W140 AromaticContact CE3-CD1 3.95Å; W93-W140 HydrophobicContact CE3-CD2 4.06Å; W93-W140 AromaticContact CE3-CE2 3.51Å; W93-W140 HydrophobicContact CE3-CG 4.32Å; W93-W140 AromaticContact CE3-CZ2 3.84Å; W93-W140 HydrophobicContact CE3-CZ2 3.84Å; W93-W140 AromaticContact CE3-NE1 3.43Å; W93-W140 AromaticContact CZ3-CD1 3.64Å; W93-W140 HydrophobicContact CZ3-CD2 4.17Å; W93-W140 AromaticContact CZ3-CE2 3.98Å; W93-W140 AromaticContact CZ3-CG 3.98Å; W93-W140 HydrophobicContact CZ3-CG 3.98Å; W93-W140 AromaticContact CZ3-NE1 3.63Å; F96-W140 HydrophobicContact CB-CE3 3.99Å; F96-W140 HydrophobicContact CB-CH2 4.18Å; F96-W140 HydrophobicContact CB-CZ3 3.63Å; F96-W140 HydrophobicContact CD1-CB 4.34Å; F96-W140 AromaticContact CD1-CD2 3.79Å; F96-W140 HydrophobicContact CD1-CD2 3.79Å; F96-W140 AromaticContact CD1-CE3 3.45Å; F96-W140 HydrophobicContact CD1-CE3 3.45Å; F96-W140 VanDerWaalsContact CD1-CE3 3.45Å; F96-W140 HydrophobicContact CD1-CG 4.17Å; F96-W140 HydrophobicContact CD1-CZ3 4.02Å; F96-W140 AromaticContact CD2-CE3 3.74Å; F96-W140 HydrophobicContact CD2-CE3 3.74Å; F96-W140 AromaticContact CD2-CZ3 3.96Å; F96-W140 HydrophobicContact CD2-CZ3 3.96Å; F96-W140 HydrophobicContact CE1-CB 3.62Å; F96-W140 AromaticContact CE1-CD2 3.98Å; F96-W140 HydrophobicContact CE1-CD2 3.98Å; F96-W140 AromaticContact CE1-CE3 3.77Å; F96-W140 HydrophobicContact CE1-CE3 3.77Å; F96-W140 AromaticContact CE1-CG 3.94Å; F96-W140 HydrophobicContact CE1-CG 3.94Å; F96-W140 HydrophobicContact CE2-CE3 4.03Å; F96-W140 HydrophobicContact CG-CD2 4.22Å; F96-W140 AromaticContact CG-CE3 3.42Å; F96-W140 HydrophobicContact CG-CE3 3.42Å; F96-W140 VanDerWaalsContact CG-CE3 3.42Å; F96-W140 HydrophobicContact CG-CH2 4.49Å; F96-W140 AromaticContact CG-CZ3 3.58Å; F96-W140 HydrophobicContact CG-CZ3 3.58Å; F96-W140 HydrophobicContact CZ-CB 3.92Å; F96-W140 HydrophobicContact CZ-CE3 4.03Å; M136-W140 PolarHBondContact O-N 3.26Å; L137-W140 PolarHBondContact O-N 3.18Å; W140-I144 HydrophobicContact CD2-CD1 4.14Å; W140-I144 HydrophobicContact CE3-CD1 3.83Å; W140-I144 HydrophobicContact CH2-CD1 3.85Å; W140-I144 HydrophobicContact CZ2-CD1 4.14Å; W140-I144 HydrophobicContact CZ2-CG2 4.27Å; W140-I144 HydrophobicContact CZ3-CD1 3.68Å; W140-I144 PolarHBondContact O-N 3.17Å; W140-Y145 PolarHBondContact O-N 3.35Å; W140-Y145 VanDerWaalsContact O-N 3.13Å; W140-L184 HydrophobicContact CB-CD2 4.44Å; W140-L184 HydrophobicContact CG-CD2 4.5Å
141	N	87.7	Confident	86.4	Confident	32 Å²	32	42 Å²	42	17%	0.171	22%	0.217	C	C	.	.	I	π-helix	trans	-58.9	-55.3	-179.4	-168.9	42.9	0	0	0	111.4	L137 E138 T143 Y145 E146 L184 L187	L137-N141 WeakPolarHBondContact O-CB 3.44Å; L137-N141 PolarHBondContact O-N 2.83Å; E138-N141 PolarHBondContact O-N 3.3Å; N141-T143 PolarHBondContact O-N 2.79Å; N141-Y145 PolarHBondContact O-N 3.03Å; N141-Y145 VanDerWaalsContact OD1-CD1 3.23Å; N141-Y145 WeakPolarHBondContact OD1-CD1 3.28Å; N141-E146 VanDerWaalsContact O-CB 3.31Å; N141-E146 WeakPolarHBondContact O-CB 3.45Å; N141-E146 PolarHBondContact O-N 3.31Å; N141-L184 HydrophobicContact CB-CD2 4.1Å; N141-L187 HydrophobicContact CB-CD1 4.22Å
142	S	86.5	Confident	87	Confident	85 Å²	85	38.9 Å²	38.9	59%	0.594	20%	0.198	S	C	*	.	I	π-helix	trans	-69.5	-30.7	-175.5	54	0	0	0	0	113.8	E138 T139	E138-S142 WeakPolarHBondContact O-CB 3.33Å; E138-S142 PolarHBondContact O-N 3.19Å; E138-S142 PolarHBondContact O-OG 3.26Å; T139-S142 PolarHBondContact O-OG 2.89Å
143	T	85.7	Confident	87.5	Confident	27 Å²	27	38.9 Å²	38.9	17%	0.166	20%	0.198	C	C	.	.	I	π-helix	trans	-93.6	-45.6	-174.3	-41.9	0	0	0	0	112.2	I69 M70 Q73 T139 N141 S147	I69-T143 HydrophobicContact CG2-CG2 4.06Å; M70-T143 HydrophobicContact CG-CG2 4.17Å; Q73-T143 PolarHBondContact NE2-O 3.38Å; T139-T143 WeakPolarHBondContact O-CB 3.37Å; T139-T143 PolarHBondContact O-N 3.34Å; T139-T143 PolarHBondContact O-OG1 3.25Å; N141-T143 PolarHBondContact O-N 2.79Å; T143-S147 PolarHBondContact O-OG 3.39Å
144	I	88.4	Confident	87.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-105.8	-66.9	-173.7	-58.9	-179.9	0	0	0	110	I69 V72 Q73 Y89 W140 E146 S147 I148	I69-I144 HydrophobicContact CG2-CD1 3.76Å; I69-I144 HydrophobicContact CG2-CG1 3.88Å; V72-I144 HydrophobicContact CB-CD1 4.11Å; V72-I144 HydrophobicContact CG1-CD1 3.84Å; Q73-I144 HydrophobicContact CB-CD1 4.22Å; Q73-I144 HydrophobicContact CB-CG1 3.81Å; Q73-I144 HydrophobicContact CG-CG1 4.1Å; Y89-I144 HydrophobicContact CD2-CG2 4.05Å; Y89-I144 HydrophobicContact CE2-CG2 3.81Å; W140-I144 HydrophobicContact CD2-CD1 4.14Å; W140-I144 HydrophobicContact CE3-CD1 3.83Å; W140-I144 HydrophobicContact CH2-CD1 3.85Å; W140-I144 HydrophobicContact CZ2-CD1 4.14Å; W140-I144 HydrophobicContact CZ2-CG2 4.27Å; W140-I144 HydrophobicContact CZ3-CD1 3.68Å; W140-I144 PolarHBondContact O-N 3.17Å; I144-E146 PolarHBondContact O-N 3.36Å; I144-S147 PolarHBondContact O-N 3.48Å; I144-S147 VanDerWaalsContact O-N 3.11Å; I144-S147 PolarHBondContact O-OG 2.98Å; I144-I148 HydrophobicContact CG2-CD1 3.87Å; I144-I148 HydrophobicContact CG2-CG1 4.31Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.27Å; I144-I148 PolarHBondContact O-N 3.28Å
145	Y	88.5	Confident	88.3	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.2	C	C	.	.	I	π-helix	trans	-56	-51.5	-167.1	176.9	-96.2	0	0	0	112.5	W140 N141 S147 I148 K149 L152 C181 L184 I194 N198	W140-Y145 PolarHBondContact O-N 3.35Å; W140-Y145 VanDerWaalsContact O-N 3.13Å; N141-Y145 PolarHBondContact O-N 3.03Å; N141-Y145 VanDerWaalsContact OD1-CD1 3.23Å; N141-Y145 WeakPolarHBondContact OD1-CD1 3.28Å; Y145-S147 PolarHBondContact O-N 2.94Å; Y145-S147 VanDerWaalsContact O-N 3.12Å; Y145-I148 CarbonylContact O-C 3.53Å; Y145-I148 PolarHBondContact O-N 3.33Å; Y145-I148 VanDerWaalsContact O-N 3.08Å; Y145-K149 HydrophobicContact CD1-CB 4.25Å; Y145-K149 HydrophobicContact CE1-CB 3.92Å; Y145-K149 HydrophobicContact CE1-CD 4.5Å; Y145-K149 HydrophobicContact CE2-CB 4.38Å; Y145-K149 WeakPolarHBondContact O-CA 3.21Å; Y145-K149 WeakPolarHBondContact O-CB 3.38Å; Y145-K149 PolarHBondContact O-N 2.86Å; Y145-L152 HydrophobicContact CD2-CD1 4.47Å; Y145-C181 PolarHBondContact OH-SG 3.21Å; Y145-L184 HydrophobicContact CD1-CD1 4.04Å; Y145-L184 HydrophobicContact CD2-CD1 3.78Å; Y145-L184 HydrophobicContact CE2-CD1 4.34Å; Y145-L184 HydrophobicContact CG-CD1 3.6Å; Y145-I194 HydrophobicContact CE1-CG2 3.65Å; Y145-N198 PolarHBondContact OH-ND2 3.23Å
146	E	86	Confident	88.7	Confident	92 Å²	92	36.7 Å²	36.7	43%	0.43	19%	0.193	S	C	.	.	H	α-helix	trans	-59.2	-31.4	-176.4	-168.1	61.2	-152	0	0	112.6	N141 I144 K149	N141-E146 VanDerWaalsContact O-CB 3.31Å; N141-E146 WeakPolarHBondContact O-CB 3.45Å; N141-E146 PolarHBondContact O-N 3.31Å; I144-E146 PolarHBondContact O-N 3.36Å; E146-K149 VanDerWaalsContact OE1-CE 3.29Å; E146-K149 WeakPolarHBondContact OE1-CE 3.43Å; E146-K149 IonicContact OE1-NZ 2.64Å; E146-K149 PolarHBondContact OE1-NZ 3.34Å; E146-K149 IonicContact OE2-NZ 3.58Å
147	S	86.6	Confident	89	Confident	68 Å²	68	37.6 Å²	37.6	48%	0.476	20%	0.198	S	C	.	.	H	α-helix	trans	-76.5	-25.2	-179.7	71.3	0	0	0	0	114.4	M77 T143 I144 Y145	M77-S147 WeakPolarHBondContact CE-OG 3.38Å; T143-S147 PolarHBondContact O-OG 3.39Å; I144-S147 PolarHBondContact O-N 3.48Å; I144-S147 VanDerWaalsContact O-N 3.11Å; I144-S147 PolarHBondContact O-OG 2.98Å; Y145-S147 PolarHBondContact O-N 2.94Å; Y145-S147 VanDerWaalsContact O-N 3.12Å
148	I	88.6	Confident	89.3	Confident	6 Å²	6	43 Å²	43	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-121.2	3.3	-178.7	48.3	167.4	0	0	0	114.2	V76 M77 L85 Y89 I144 Y145 Q150 K151 L152	V76-I148 HydrophobicContact CG1-CD1 3.78Å; M77-I148 HydrophobicContact CE-CB 4.35Å; M77-I148 HydrophobicContact CE-CD1 4.37Å; M77-I148 HydrophobicContact CE-CG1 4.2Å; M77-I148 HydrophobicContact CE-CG2 3.38Å; M77-I148 HydrophobicContact SD-CG2 3.45Å; M77-I148 WeakPolarHBondContact SD-CG2 2.84Å; L85-I148 HydrophobicContact CD2-CG2 4.29Å; Y89-I148 HydrophobicContact CD2-CD1 3.58Å; Y89-I148 HydrophobicContact CE2-CD1 4.05Å; Y89-I148 HydrophobicContact CG-CD1 4.3Å; I144-I148 HydrophobicContact CG2-CD1 3.87Å; I144-I148 HydrophobicContact CG2-CG1 4.31Å; I144-I148 VanDerWaalsContact O-CG1 3.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.27Å; I144-I148 PolarHBondContact O-N 3.28Å; Y145-I148 CarbonylContact O-C 3.53Å; Y145-I148 PolarHBondContact O-N 3.33Å; Y145-I148 VanDerWaalsContact O-N 3.08Å; I148-Q150 VanDerWaalsContact C-N 3.27Å; I148-Q150 PolarHBondContact O-N 3.43Å; I148-Q150 VanDerWaalsContact O-N 3.13Å; I148-K151 PolarHBondContact O-N 3.03Å; I148-K151 VanDerWaalsContact O-N 3.12Å; I148-L152 HydrophobicContact CB-CD1 4.42Å; I148-L152 HydrophobicContact CB-CG 4.34Å; I148-L152 HydrophobicContact CD1-CD1 3.68Å; I148-L152 HydrophobicContact CD1-CD2 4.32Å; I148-L152 HydrophobicContact CD1-CG 4.05Å; I148-L152 HydrophobicContact CG1-CD1 3.81Å; I148-L152 HydrophobicContact CG1-CG 4.22Å; I148-L152 WeakPolarHBondContact O-CG 3.15Å; I148-L152 PolarHBondContact O-N 3.44Å
149	K	88.6	Confident	89.7	Confident	45 Å²	45	40.8 Å²	40.8	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-50.7	-45	-173	68.8	-178.3	-174.9	-177.8	0	112.7	Y145 E146 L152 L153	Y145-K149 HydrophobicContact CD1-CB 4.25Å; Y145-K149 HydrophobicContact CE1-CB 3.92Å; Y145-K149 HydrophobicContact CE1-CD 4.5Å; Y145-K149 HydrophobicContact CE2-CB 4.38Å; Y145-K149 WeakPolarHBondContact O-CA 3.21Å; Y145-K149 WeakPolarHBondContact O-CB 3.38Å; Y145-K149 PolarHBondContact O-N 2.86Å; E146-K149 VanDerWaalsContact OE1-CE 3.29Å; E146-K149 WeakPolarHBondContact OE1-CE 3.43Å; E146-K149 IonicContact OE1-NZ 2.64Å; E146-K149 PolarHBondContact OE1-NZ 3.34Å; E146-K149 IonicContact OE2-NZ 3.58Å; K149-L152 PolarHBondContact O-N 3.13Å; K149-L153 WeakPolarHBondContact O-CB 3.39Å; K149-L153 WeakPolarHBondContact O-CG 3.31Å; K149-L153 PolarHBondContact O-N 2.89Å
150	Q	90.2	Very high	90.1	Very high	113 Å²	113	40.6 Å²	40.6	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-65	-49.3	-178	-70.3	-61.8	3.2	0	0	111.9	I148 L152 L153 D154	I148-Q150 VanDerWaalsContact C-N 3.27Å; I148-Q150 PolarHBondContact O-N 3.43Å; I148-Q150 VanDerWaalsContact O-N 3.13Å; Q150-L152 VanDerWaalsContact C-N 3.27Å; Q150-L152 PolarHBondContact O-N 3.06Å; Q150-L153 PolarHBondContact O-N 2.94Å; Q150-L153 VanDerWaalsContact O-N 3.14Å; Q150-D154 WeakPolarHBondContact O-CB 3.42Å; Q150-D154 PolarHBondContact O-N 3.45Å
151	K	89.6	Confident	90.3	Very high	111 Å²	111	43.6 Å²	43.6	48%	0.483	23%	0.225	S	C	.	.	H	α-helix	trans	-59.9	-37.7	177.6	-64.4	-174.8	178.3	-175.6	0	112.6	L85 I148 S155	L85-K151 HydrophobicContact CD2-CB 3.9Å; L85-K151 HydrophobicContact CD2-CD 3.97Å; I148-K151 PolarHBondContact O-N 3.03Å; I148-K151 VanDerWaalsContact O-N 3.12Å; K151-S155 VanDerWaalsContact O-CB 3.32Å; K151-S155 WeakPolarHBondContact O-CB 3.49Å; K151-S155 PolarHBondContact O-N 3.45Å; K151-S155 PolarHBondContact O-OG 3.43Å
152	L	90.4	Very high	90.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-45.2	176.6	-70.3	175.3	0	0	0	111.7	L86 Y89 Y145 I148 K149 Q150 S155 A156	L86-L152 HydrophobicContact CD1-CD2 3.96Å; Y89-L152 HydrophobicContact CD1-CD1 3.77Å; Y89-L152 HydrophobicContact CD1-CD2 3.84Å; Y89-L152 HydrophobicContact CD1-CG 4.47Å; Y89-L152 HydrophobicContact CD2-CD1 3.9Å; Y89-L152 HydrophobicContact CD2-CD2 4.46Å; Y89-L152 HydrophobicContact CE1-CD1 3.76Å; Y89-L152 HydrophobicContact CE2-CD1 3.86Å; Y89-L152 HydrophobicContact CG-CD1 3.84Å; Y89-L152 HydrophobicContact CG-CD2 3.75Å; Y89-L152 HydrophobicContact CG-CG 4.46Å; Y145-L152 HydrophobicContact CD2-CD1 4.47Å; I148-L152 HydrophobicContact CB-CD1 4.42Å; I148-L152 HydrophobicContact CB-CG 4.34Å; I148-L152 HydrophobicContact CD1-CD1 3.68Å; I148-L152 HydrophobicContact CD1-CD2 4.32Å; I148-L152 HydrophobicContact CD1-CG 4.05Å; I148-L152 HydrophobicContact CG1-CD1 3.81Å; I148-L152 HydrophobicContact CG1-CG 4.22Å; I148-L152 WeakPolarHBondContact O-CG 3.15Å; I148-L152 PolarHBondContact O-N 3.44Å; K149-L152 PolarHBondContact O-N 3.13Å; Q150-L152 VanDerWaalsContact C-N 3.27Å; Q150-L152 PolarHBondContact O-N 3.06Å; L152-S155 PolarHBondContact O-N 3.08Å; L152-A156 WeakPolarHBondContact O-CB 3.5Å; L152-A156 PolarHBondContact O-N 2.86Å
153	L	91.6	Very high	91	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-50.5	176.9	-67.4	167.3	0	0	0	110.4	K149 Q150 S155 A156 I157 N198 F199	K149-L153 WeakPolarHBondContact O-CB 3.39Å; K149-L153 WeakPolarHBondContact O-CG 3.31Å; K149-L153 PolarHBondContact O-N 2.89Å; Q150-L153 PolarHBondContact O-N 2.94Å; Q150-L153 VanDerWaalsContact O-N 3.14Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.04Å; L153-A156 PolarHBondContact O-N 2.92Å; L153-A156 VanDerWaalsContact O-N 3.12Å; L153-I157 WeakPolarHBondContact O-CB 3.49Å; L153-I157 VanDerWaalsContact O-CG1 3.22Å; L153-I157 WeakPolarHBondContact O-CG1 3.37Å; L153-I157 PolarHBondContact O-N 3.47Å; L153-N198 HydrophobicContact CD1-CB 3.89Å; L153-N198 HydrophobicContact CD2-CB 4.45Å; L153-F199 HydrophobicContact CD2-CB 4.13Å; L153-F199 HydrophobicContact CD2-CD2 3.88Å; L153-F199 HydrophobicContact CD2-CG 4.49Å
154	D	91.7	Very high	91.4	Very high	86 Å²	86	41.2 Å²	41.2	46%	0.46	20%	0.202	S	C	.	.	H	α-helix	trans	-56.4	-44.1	179	-66.4	-26.5	0	0	0	111.4	Q150 I157 K158	Q150-D154 WeakPolarHBondContact O-CB 3.42Å; Q150-D154 PolarHBondContact O-N 3.45Å; D154-I157 PolarHBondContact O-N 3.01Å; D154-K158 VanDerWaalsContact O-CB 3.26Å; D154-K158 WeakPolarHBondContact O-CB 3.34Å; D154-K158 PolarHBondContact O-N 3.1Å
155	S	92.1	Very high	91.6	Very high	8 Å²	8	44.4 Å²	44.4	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-63.9	-44.7	176.6	-58.3	0	0	0	0	112.5	E82 K151 L152 L153 K158 L159	E82-S155 WeakPolarHBondContact CB-OG 3.39Å; E82-S155 PolarHBondContact O-OG 2.99Å; K151-S155 VanDerWaalsContact O-CB 3.32Å; K151-S155 WeakPolarHBondContact O-CB 3.49Å; K151-S155 PolarHBondContact O-N 3.45Å; K151-S155 PolarHBondContact O-OG 3.43Å; L152-S155 PolarHBondContact O-N 3.08Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.04Å; S155-K158 PolarHBondContact O-N 3.43Å; S155-L159 WeakPolarHBondContact O-CG 3.43Å; S155-L159 PolarHBondContact O-N 3.21Å; S155-L159 VanDerWaalsContact O-N 3.12Å
156	A	93.6	Very high	91.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-42.4	179.5	0	0	0	0	0	111.6	L152 L153 L159 I160 V177 F199	L152-A156 WeakPolarHBondContact O-CB 3.5Å; L152-A156 PolarHBondContact O-N 2.86Å; L153-A156 PolarHBondContact O-N 2.92Å; L153-A156 VanDerWaalsContact O-N 3.12Å; A156-L159 PolarHBondContact O-N 3.37Å; A156-I160 WeakPolarHBondContact O-CG1 3.43Å; A156-I160 PolarHBondContact O-N 3.12Å; A156-I160 VanDerWaalsContact O-N 3.11Å; A156-V177 HydrophobicContact CB-CB 4.42Å; A156-V177 HydrophobicContact CB-CG1 4.44Å; A156-V177 HydrophobicContact CB-CG2 4.23Å; A156-F199 HydrophobicContact CB-CE2 4.3Å
157	I	94.3	Very high	92	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-40.7	176.9	-66.9	-59.3	0	0	0	111	L153 D154 L159 I160 Q161 A202 S206	L153-I157 WeakPolarHBondContact O-CB 3.49Å; L153-I157 VanDerWaalsContact O-CG1 3.22Å; L153-I157 WeakPolarHBondContact O-CG1 3.37Å; L153-I157 PolarHBondContact O-N 3.47Å; D154-I157 PolarHBondContact O-N 3.01Å; I157-L159 PolarHBondContact O-N 3.49Å; I157-I160 HydrophobicContact CD1-CD1 4.17Å; I157-I160 PolarHBondContact O-N 2.93Å; I157-Q161 WeakPolarHBondContact O-CG 3.43Å; I157-Q161 PolarHBondContact O-N 2.75Å; I157-A202 HydrophobicContact CD1-CB 4.19Å; I157-A202 HydrophobicContact CG1-CB 4.2Å; I157-S206 VanDerWaalsContact CG2-CB 3.45Å; I157-S206 WeakPolarHBondContact CG2-OG 3.4Å
158	K	93.4	Very high	92.2	Very high	116 Å²	116	52.6 Å²	52.6	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-45.1	174.6	-175.6	177.9	179.9	178.3	0	111.9	D154 S155 I160 Q161 D162	D154-K158 VanDerWaalsContact O-CB 3.26Å; D154-K158 WeakPolarHBondContact O-CB 3.34Å; D154-K158 PolarHBondContact O-N 3.1Å; S155-K158 PolarHBondContact O-N 3.43Å; K158-I160 VanDerWaalsContact C-N 3.32Å; K158-I160 PolarHBondContact O-N 3.02Å; K158-Q161 WeakPolarHBondContact O-CB 3.46Å; K158-Q161 PolarHBondContact O-N 3.36Å; K158-Q161 VanDerWaalsContact O-N 3.13Å; K158-D162 PolarHBondContact O-N 3.35Å
159	L	94.1	Very high	92.4	Very high	36 Å²	36	53.5 Å²	53.5	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-44.5	174.6	-70.9	173.9	0	0	0	111.7	L86 S155 A156 I157 Q161 D162 E163 I169 L173 V174	L86-L159 HydrophobicContact CD2-CD1 3.63Å; S155-L159 WeakPolarHBondContact O-CG 3.43Å; S155-L159 PolarHBondContact O-N 3.21Å; S155-L159 VanDerWaalsContact O-N 3.12Å; A156-L159 PolarHBondContact O-N 3.37Å; I157-L159 PolarHBondContact O-N 3.49Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 3.28Å; L159-D162 PolarHBondContact O-N 2.72Å; L159-E163 PolarHBondContact O-N 2.62Å; L159-I169 HydrophobicContact CB-CD1 4.04Å; L159-I169 HydrophobicContact CD2-CB 4.43Å; L159-I169 HydrophobicContact CD2-CG2 4.26Å; L159-L173 HydrophobicContact CD1-CB 3.98Å; L159-L173 HydrophobicContact CD1-CD1 4.02Å; L159-V174 HydrophobicContact CB-CG2 4Å; L159-V174 HydrophobicContact CD1-CG2 4.15Å
160	I	95.1	Very high	92.5	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-40.8	176.7	-65.1	156.9	0	0	0	110.9	A156 I157 K158 E163 R164 V174 Y203 Y245	A156-I160 WeakPolarHBondContact O-CG1 3.43Å; A156-I160 PolarHBondContact O-N 3.12Å; A156-I160 VanDerWaalsContact O-N 3.11Å; I157-I160 HydrophobicContact CD1-CD1 4.17Å; I157-I160 PolarHBondContact O-N 2.93Å; K158-I160 VanDerWaalsContact C-N 3.32Å; K158-I160 PolarHBondContact O-N 3.02Å; I160-E163 PolarHBondContact O-N 2.95Å; I160-R164 WeakPolarHBondContact O-CG 3.41Å; I160-R164 PolarHBondContact O-N 2.94Å; I160-V174 HydrophobicContact CD1-CG1 3.72Å; I160-V174 HydrophobicContact CG1-CG1 3.93Å; I160-V174 HydrophobicContact CG1-CG2 4.17Å; I160-Y203 HydrophobicContact CD1-CD2 3.52Å; I160-Y203 HydrophobicContact CD1-CE2 3.53Å; I160-Y203 HydrophobicContact CG1-CE2 4.23Å; I160-Y203 HydrophobicContact CG2-CE2 4Å; I160-Y245 HydrophobicContact CG1-CD2 4.34Å
161	Q	94.2	Very high	92.6	Very high	64 Å²	64	50.8 Å²	50.8	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-39.8	175.8	-71.3	179.3	-8.2	0	0	112.4	I157 K158 L159 R164 C165 S206 F210	I157-Q161 WeakPolarHBondContact O-CG 3.43Å; I157-Q161 PolarHBondContact O-N 2.75Å; K158-Q161 WeakPolarHBondContact O-CB 3.46Å; K158-Q161 PolarHBondContact O-N 3.36Å; K158-Q161 VanDerWaalsContact O-N 3.13Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 3.28Å; Q161-R164 WeakPolarHBondContact O-CB 3.49Å; Q161-R164 PolarHBondContact O-N 3.16Å; Q161-C165 PolarHBondContact O-N 3.44Å; Q161-C165 VanDerWaalsContact O-N 3.07Å; Q161-C165 PolarHBondContact O-SG 3.19Å; Q161-S206 PolarHBondContact NE2-OG 3.48Å; Q161-F210 HydrophobicContact CB-CD2 4.37Å; Q161-F210 HydrophobicContact CB-CE2 4.34Å; Q161-F210 HydrophobicContact CG-CD2 4.04Å; Q161-F210 HydrophobicContact CG-CE2 4.49Å
162	D	93.6	Very high	92.8	Very high	45 Å²	45	50.8 Å²	50.8	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-41.8	175.6	-68.8	-26.4	0	0	0	110.9	K158 L159 C165 G166 Q167 I169	K158-D162 PolarHBondContact O-N 3.35Å; L159-D162 PolarHBondContact O-N 2.72Å; D162-C165 CarbonylContact O-C 3.54Å; D162-C165 WeakPolarHBondContact O-CA 3.48Å; D162-C165 WeakPolarHBondContact O-CB 3.49Å; D162-C165 PolarHBondContact O-N 3.34Å; D162-C165 VanDerWaalsContact O-N 3.1Å; D162-G166 PolarHBondContact O-N 3.14Å; D162-Q167 HydrophobicContact CB-CB 4.22Å; D162-Q167 HydrophobicContact CB-CG 4.48Å; D162-Q167 WeakPolarHBondContact O-CB 3.34Å; D162-Q167 PolarHBondContact O-N 2.71Å; D162-I169 HydrophobicContact CB-CG2 4.2Å
163	E	94.4	Very high	92.9	Very high	33 Å²	33	51.5 Å²	51.5	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-65.5	-38.1	174.1	-170.7	178.4	-155.8	0	0	112.5	L159 I160 C165 G166 Q167 I169 R244 Y245	L159-E163 PolarHBondContact O-N 2.62Å; I160-E163 PolarHBondContact O-N 2.95Å; E163-C165 PolarHBondContact O-N 3.26Å; E163-G166 WeakPolarHBondContact O-CA 3.11Å; E163-G166 PolarHBondContact O-N 3.03Å; E163-Q167 WeakPolarHBondContact CA-O 3.28Å; E163-I169 HydrophobicContact CB-CD1 3.82Å; E163-I169 HydrophobicContact CB-CG1 3.94Å; E163-I169 HydrophobicContact CB-CG2 4.25Å; E163-I169 HydrophobicContact CG-CD1 4.42Å; E163-I169 HydrophobicContact CG-CG1 4.25Å; E163-R244 IonicContact OE1-NH1 3.47Å; E163-R244 PolarHBondContact OE1-NH1 2.95Å; E163-Y245 VanDerWaalsContact CD-OH 3.26Å; E163-Y245 PolarHBondContact OE1-OH 2.9Å; E163-Y245 WeakPolarHBondContact OE2-CE2 3.18Å; E163-Y245 PolarHBondContact OE2-OH 3.35Å
164	R	94	Very high	93	Very high	15 Å²	15	51.2 Å²	51.2	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-27.8	172.4	-72.6	174.5	-179.7	145.5	7.8	112.4	I160 Q161 G166 T207 F210 E238	I160-R164 WeakPolarHBondContact O-CG 3.41Å; I160-R164 PolarHBondContact O-N 2.94Å; Q161-R164 WeakPolarHBondContact O-CB 3.49Å; Q161-R164 PolarHBondContact O-N 3.16Å; R164-G166 VanDerWaalsContact C-N 3.25Å; R164-T207 PolarHBondContact NH2-OG1 2.98Å; R164-F210 HydrophobicContact CB-CE1 3.67Å; R164-F210 HydrophobicContact CB-CE2 4.07Å; R164-F210 HydrophobicContact CB-CZ 3.41Å; R164-F210 VanDerWaalsContact CB-CZ 3.41Å; R164-F210 HydrophobicContact CG-CE1 4.27Å; R164-F210 HydrophobicContact CG-CZ 4.38Å; R164-E238 IonicContact CZ-OE1 3.54Å; R164-E238 IonicContact CZ-OE2 3.91Å; R164-E238 IonicContact NE-OE1 3.5Å; R164-E238 IonicContact NE-OE2 3.16Å; R164-E238 PolarHBondContact NE-OE2 3.46Å; R164-E238 VanDerWaalsContact NE-OE2 3.16Å; R164-E238 IonicContact NH2-OE1 3.87Å; R164-E238 PolarHBondContact NH2-OE1 3.44Å; R164-E238 IonicContact NH2-OE2 3.03Å
165	C	92.3	Very high	93.1	Very high	68 Å²	68	48 Å²	48	46%	0.459	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	0.1	172.9	-60.1	0	0	0	0	113.5	Q161 D162 E163 R214	Q161-C165 PolarHBondContact O-N 3.44Å; Q161-C165 VanDerWaalsContact O-N 3.07Å; Q161-C165 PolarHBondContact O-SG 3.19Å; D162-C165 CarbonylContact O-C 3.54Å; D162-C165 WeakPolarHBondContact O-CA 3.48Å; D162-C165 WeakPolarHBondContact O-CB 3.49Å; D162-C165 PolarHBondContact O-N 3.34Å; D162-C165 VanDerWaalsContact O-N 3.1Å; E163-C165 PolarHBondContact O-N 3.26Å; C165-R214 PolarHBondContact SG-NH2 3.3Å
166	G	90.7	Very high	93.1	Very high	67 Å²	67	47.8 Å²	47.8	69%	0.691	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	10.3	178.5	0	0	0	0	0	114.7	D162 E163 R164	D162-G166 PolarHBondContact O-N 3.14Å; E163-G166 WeakPolarHBondContact O-CA 3.11Å; E163-G166 PolarHBondContact O-N 3.03Å; R164-G166 VanDerWaalsContact C-N 3.25Å
167	Q	92.9	Very high	93	Very high	113 Å²	113	47.9 Å²	47.9	53%	0.528	27%	0.265	S	S	.	.			trans	-77.8	146.5	174.4	-58.3	-169.4	5.6	0	0	111.4	D162 E163 I169	D162-Q167 HydrophobicContact CB-CB 4.22Å; D162-Q167 HydrophobicContact CB-CG 4.48Å; D162-Q167 WeakPolarHBondContact O-CB 3.34Å; D162-Q167 PolarHBondContact O-N 2.71Å; E163-Q167 WeakPolarHBondContact CA-O 3.28Å; Q167-I169 PolarHBondContact O-N 3.4Å
168	V	90.8	Very high	92.9	Very high	152 Å²	152	48.5 Å²	48.5	92%	0.921	27%	0.267	S	S	*	.			trans	-81.6	117.7	174.7	-178.5	0	0	0	0	108.8
169	I	92	Very high	92.7	Very high	25 Å²	25	46.3 Å²	46.3	13%	0.128	26%	0.258	C	S	.	.			trans	-112.5	157.1	178.8	67.9	162.7	0	0	0	111.9	L159 D162 E163 Q167 S171 V174	L159-I169 HydrophobicContact CB-CD1 4.04Å; L159-I169 HydrophobicContact CD2-CB 4.43Å; L159-I169 HydrophobicContact CD2-CG2 4.26Å; D162-I169 HydrophobicContact CB-CG2 4.2Å; E163-I169 HydrophobicContact CB-CD1 3.82Å; E163-I169 HydrophobicContact CB-CG1 3.94Å; E163-I169 HydrophobicContact CB-CG2 4.25Å; E163-I169 HydrophobicContact CG-CD1 4.42Å; E163-I169 HydrophobicContact CG-CG1 4.25Å; Q167-I169 PolarHBondContact O-N 3.4Å; I169-S171 PolarHBondContact O-N 3.37Å; I169-V174 HydrophobicContact CD1-CG2 4.42Å
170	D	91.8	Very high	92.6	Very high	88 Å²	88	44.6 Å²	44.6	47%	0.471	25%	0.249	S	C	.	.			trans	-79.6	97.5	166.3	-176.4	1	0	0	0	110.1	Q172 L173	D170-Q172 PolarHBondContact O-N 2.87Å; D170-Q172 VanDerWaalsContact O-N 3.13Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.31Å; D170-Q172 PolarHBondContact OD1-N 3.25Å; D170-L173 HydrophobicContact CB-CD1 4.19Å; D170-L173 HydrophobicContact CB-CG 4.23Å; D170-L173 PolarHBondContact O-N 3.34Å
171	S	92.2	Very high	92.3	Very high	14 Å²	14	44.5 Å²	44.5	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-23.5	180	53.3	0	0	0	0	114.5	I169 L173 V174 I175 R244	I169-S171 PolarHBondContact O-N 3.37Å; S171-L173 PolarHBondContact O-N 2.89Å; S171-V174 PolarHBondContact O-N 3.47Å; S171-I175 WeakPolarHBondContact O-CB 3.43Å; S171-I175 WeakPolarHBondContact O-CD1 3.31Å; S171-I175 VanDerWaalsContact O-CG1 3.22Å; S171-I175 WeakPolarHBondContact O-CG1 3.4Å; S171-I175 PolarHBondContact O-N 3.3Å; S171-R244 PolarHBondContact OG-NH2 2.97Å
172	Q	93.3	Very high	92	Very high	110 Å²	110	42.3 Å²	42.3	51%	0.514	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-25.5	-178.3	-64.7	-59.7	-35.1	0	0	111.9	D170 G176	D170-Q172 PolarHBondContact O-N 2.87Å; D170-Q172 VanDerWaalsContact O-N 3.13Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.31Å; D170-Q172 PolarHBondContact OD1-N 3.25Å; Q172-G176 PolarHBondContact O-N 2.92Å
173	L	92.9	Very high	91.6	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-45.4	176.1	-60	178.5	0	0	0	111.5	L86 K87 I90 L159 D170 S171 V177	L86-L173 HydrophobicContact CD2-CB 3.93Å; L86-L173 HydrophobicContact CD2-CD1 4.36Å; L86-L173 HydrophobicContact CG-CB 4.22Å; K87-L173 HydrophobicContact CB-CD2 4.46Å; K87-L173 HydrophobicContact CG-CD1 3.96Å; K87-L173 HydrophobicContact CG-CD2 3.82Å; I90-L173 HydrophobicContact CB-CD2 4.33Å; I90-L173 WeakPolarHBondContact CD1-O 3.46Å; I90-L173 HydrophobicContact CG1-CD2 4.3Å; L159-L173 HydrophobicContact CD1-CB 3.98Å; L159-L173 HydrophobicContact CD1-CD1 4.02Å; D170-L173 HydrophobicContact CB-CD1 4.19Å; D170-L173 HydrophobicContact CB-CG 4.23Å; D170-L173 PolarHBondContact O-N 3.34Å; S171-L173 PolarHBondContact O-N 2.89Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 3.34Å
174	V	93.7	Very high	91.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-44.5	178.3	-178.4	0	0	0	0	110.6	L159 I160 I169 S171 G176 V177 R178 F199 Y245	L159-V174 HydrophobicContact CB-CG2 4Å; L159-V174 HydrophobicContact CD1-CG2 4.15Å; I160-V174 HydrophobicContact CD1-CG1 3.72Å; I160-V174 HydrophobicContact CG1-CG1 3.93Å; I160-V174 HydrophobicContact CG1-CG2 4.17Å; I169-V174 HydrophobicContact CD1-CG2 4.42Å; S171-V174 PolarHBondContact O-N 3.47Å; V174-G176 VanDerWaalsContact C-N 3.32Å; V174-G176 PolarHBondContact O-N 2.81Å; V174-V177 PolarHBondContact O-N 2.82Å; V174-R178 PolarHBondContact O-N 2.82Å; V174-F199 HydrophobicContact CG1-CE2 4.42Å; V174-F199 HydrophobicContact CG1-CZ 3.88Å; V174-Y245 HydrophobicContact CB-CD1 3.85Å; V174-Y245 HydrophobicContact CB-CE1 3.97Å; V174-Y245 HydrophobicContact CG1-CD1 3.55Å; V174-Y245 HydrophobicContact CG1-CE1 4.11Å; V174-Y245 HydrophobicContact CG1-CG 3.86Å
175	I	93.2	Very high	90.2	Very high	20 Å²	20	39.7 Å²	39.7	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-43.8	177.2	-68.1	167.4	0	0	0	110.6	S171 V177 R178 E179 Y245	S171-I175 WeakPolarHBondContact O-CB 3.43Å; S171-I175 WeakPolarHBondContact O-CD1 3.31Å; S171-I175 VanDerWaalsContact O-CG1 3.22Å; S171-I175 WeakPolarHBondContact O-CG1 3.4Å; S171-I175 PolarHBondContact O-N 3.3Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 2.89Å; I175-R178 WeakPolarHBondContact O-CB 3.44Å; I175-R178 PolarHBondContact O-N 3.46Å; I175-E179 HydrophobicContact CG2-CG 4.34Å; I175-E179 WeakPolarHBondContact CG2-OE1 3.46Å; I175-E179 WeakPolarHBondContact O-CG 3.47Å; I175-E179 PolarHBondContact O-N 3.42Å; I175-Y245 HydrophobicContact CG1-CD1 4.09Å; I175-Y245 HydrophobicContact CG1-CE1 4.35Å
176	G	91.7	Very high	89.2	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-32.5	178.8	0	0	0	0	0	113.1	Q172 V174 S180	Q172-G176 PolarHBondContact O-N 2.92Å; V174-G176 VanDerWaalsContact C-N 3.32Å; V174-G176 PolarHBondContact O-N 2.81Å; G176-S180 VanDerWaalsContact O-CB 3.29Å; G176-S180 WeakPolarHBondContact O-CB 3.12Å; G176-S180 PolarHBondContact O-N 3.47Å
177	V	92.2	Very high	87.9	Confident	2 Å²	2	37 Å²	37	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-45.6	172.1	175.6	0	0	0	0	110.3	L86 I90 A156 L173 V174 I175 S180 C181 F199	L86-V177 HydrophobicContact CD1-CG2 3.38Å; I90-V177 HydrophobicContact CD1-CG2 3.79Å; I90-V177 VanDerWaalsContact CD1-N 3.29Å; A156-V177 HydrophobicContact CB-CB 4.42Å; A156-V177 HydrophobicContact CB-CG1 4.44Å; A156-V177 HydrophobicContact CB-CG2 4.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.43Å; L173-V177 PolarHBondContact O-N 3.34Å; V174-V177 PolarHBondContact O-N 2.82Å; I175-V177 VanDerWaalsContact C-N 3.34Å; I175-V177 PolarHBondContact O-N 2.89Å; V177-S180 WeakPolarHBondContact O-CB 3.35Å; V177-S180 PolarHBondContact O-N 2.66Å; V177-C181 PolarHBondContact O-N 3.04Å; V177-C181 PolarHBondContact O-SG 3.09Å; V177-F199 HydrophobicContact CB-CE2 4.26Å; V177-F199 HydrophobicContact CG1-CD2 3.75Å; V177-F199 HydrophobicContact CG1-CE2 3.88Å
178	R	92.1	Very high	86.2	Confident	33 Å²	33	34.8 Å²	34.8	13%	0.125	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-54.8	174.4	176.9	-146.4	64.9	-172.3	0.3	110.6	V174 I175 S180 C181 V182 Y195 F199 Y245	V174-R178 PolarHBondContact O-N 2.82Å; I175-R178 WeakPolarHBondContact O-CB 3.44Å; I175-R178 PolarHBondContact O-N 3.46Å; R178-S180 PolarHBondContact O-N 2.96Å; R178-C181 PolarHBondContact O-N 2.83Å; R178-C181 VanDerWaalsContact O-N 3.09Å; R178-V182 HydrophobicContact CG-CG2 4.36Å; R178-V182 WeakPolarHBondContact O-CG2 3.33Å; R178-V182 PolarHBondContact O-N 3.41Å; R178-Y195 HydrophobicContact CG-CD2 4.49Å; R178-Y195 HydrophobicContact CG-CE2 3.84Å; R178-F199 HydrophobicContact CB-CD1 4.38Å; R178-F199 HydrophobicContact CB-CE1 3.97Å; R178-F199 HydrophobicContact CB-CZ 4.14Å; R178-F199 HydrophobicContact CG-CE1 4.3Å; R178-Y245 WeakPolarHBondContact CD-O 3.49Å; R178-Y245 WeakPolarHBondContact CG-O 3.47Å
179	E	90.3	Very high	84.6	Confident	69 Å²	69	36.9 Å²	36.9	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-58.2	-39	-179.9	-74	176.5	-179.9	0	0	112.1	I175 V182 N183	I175-E179 HydrophobicContact CG2-CG 4.34Å; I175-E179 WeakPolarHBondContact CG2-OE1 3.46Å; I175-E179 WeakPolarHBondContact O-CG 3.47Å; I175-E179 PolarHBondContact O-N 3.42Å; E179-V182 PolarHBondContact O-N 2.67Å; E179-N183 VanDerWaalsContact O-CB 3.3Å; E179-N183 WeakPolarHBondContact O-CB 3.2Å; E179-N183 PolarHBondContact O-N 3.22Å; E179-N183 PolarHBondContact O-ND2 3.43Å
180	S	90.7	Very high	82.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-49.7	174	-171.2	0	0	0	0	112	Y89 W93 G176 V177 R178 V182 N183 L184	Y89-S180 PolarHBondContact OH-OG 2.97Å; W93-S180 VanDerWaalsContact CE2-CA 3.45Å; W93-S180 VanDerWaalsContact CZ2-CA 3.44Å; G176-S180 VanDerWaalsContact O-CB 3.29Å; G176-S180 WeakPolarHBondContact O-CB 3.12Å; G176-S180 PolarHBondContact O-N 3.47Å; V177-S180 WeakPolarHBondContact O-CB 3.35Å; V177-S180 PolarHBondContact O-N 2.66Å; R178-S180 PolarHBondContact O-N 2.96Å; S180-V182 VanDerWaalsContact C-N 3.35Å; S180-V182 PolarHBondContact O-N 2.81Å; S180-N183 PolarHBondContact O-N 3.49Å; S180-L184 WeakPolarHBondContact O-CB 3.26Å; S180-L184 WeakPolarHBondContact O-CD1 3.44Å; S180-L184 WeakPolarHBondContact O-CG 3.4Å; S180-L184 PolarHBondContact O-N 3.33Å
181	C	88.5	Confident	80.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.8	-60.2	0	0	0	0	112.3	Y145 V177 R178 S185 Y195 F199	Y145-C181 PolarHBondContact OH-SG 3.21Å; V177-C181 PolarHBondContact O-N 3.04Å; V177-C181 PolarHBondContact O-SG 3.09Å; R178-C181 PolarHBondContact O-N 2.83Å; R178-C181 VanDerWaalsContact O-N 3.09Å; C181-S185 WeakPolarHBondContact O-CB 3.29Å; C181-S185 PolarHBondContact O-N 3.46Å; C181-S185 PolarHBondContact O-OG 3.28Å; C181-Y195 HydrophobicContact CB-CD2 4.15Å; C181-F199 HydrophobicContact CB-CB 4.32Å
182	V	87.6	Confident	79.7	Confident	17 Å²	17	45.1 Å²	45.1	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-50.4	178.6	171.9	0	0	0	0	110.8	R178 E179 S180 L184 S185 Y195 E247 F252	R178-V182 HydrophobicContact CG-CG2 4.36Å; R178-V182 WeakPolarHBondContact O-CG2 3.33Å; R178-V182 PolarHBondContact O-N 3.41Å; E179-V182 PolarHBondContact O-N 2.67Å; S180-V182 VanDerWaalsContact C-N 3.35Å; S180-V182 PolarHBondContact O-N 2.81Å; V182-L184 PolarHBondContact O-N 2.99Å; V182-S185 VanDerWaalsContact O-CB 3.27Å; V182-S185 WeakPolarHBondContact O-CB 3.2Å; V182-S185 PolarHBondContact O-N 3.46Å; V182-Y195 HydrophobicContact CG2-CD2 3.49Å; V182-Y195 VanDerWaalsContact CG2-CD2 3.49Å; V182-Y195 HydrophobicContact CG2-CE2 4Å; V182-Y195 HydrophobicContact CG2-CG 3.79Å; V182-E247 HydrophobicContact CG2-CB 4.41Å; V182-E247 HydrophobicContact CG2-CG 4.41Å; V182-F252 HydrophobicContact CG1-CZ 3.98Å
183	N	85.1	Confident	79	Confident	35 Å²	35	47.2 Å²	47.2	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-41	-180	-78.1	-25.6	0	0	0	111.9	W93 E179 S180 S185 T186	W93-N183 HydrophobicContact CH2-CB 4.02Å; W93-N183 HydrophobicContact CZ2-CB 3.75Å; E179-N183 VanDerWaalsContact O-CB 3.3Å; E179-N183 WeakPolarHBondContact O-CB 3.2Å; E179-N183 PolarHBondContact O-N 3.22Å; E179-N183 PolarHBondContact O-ND2 3.43Å; S180-N183 PolarHBondContact O-N 3.49Å; N183-S185 PolarHBondContact O-N 3.31Å; N183-T186 WeakPolarHBondContact O-CB 3.39Å; N183-T186 PolarHBondContact O-N 3.37Å; N183-T186 PolarHBondContact O-OG1 3.37Å
184	L	85	Confident	78.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-24.9	174.9	-64.1	170.7	0	0	0	112.2	W93 L137 W140 N141 Y145 S180 V182 T186 L187 I194	W93-L184 HydrophobicContact CH2-CD2 4.19Å; W93-L184 HydrophobicContact CH2-CG 4.16Å; W93-L184 HydrophobicContact CZ3-CD2 4.17Å; W93-L184 HydrophobicContact CZ3-CG 4.38Å; L137-L184 HydrophobicContact CB-CD2 4.29Å; L137-L184 HydrophobicContact CD2-CD2 4.07Å; L137-L184 WeakPolarHBondContact O-CD2 3.43Å; W140-L184 HydrophobicContact CB-CD2 4.44Å; W140-L184 HydrophobicContact CG-CD2 4.5Å; N141-L184 HydrophobicContact CB-CD2 4.1Å; Y145-L184 HydrophobicContact CD1-CD1 4.04Å; Y145-L184 HydrophobicContact CD2-CD1 3.78Å; Y145-L184 HydrophobicContact CE2-CD1 4.34Å; Y145-L184 HydrophobicContact CG-CD1 3.6Å; S180-L184 WeakPolarHBondContact O-CB 3.26Å; S180-L184 WeakPolarHBondContact O-CD1 3.44Å; S180-L184 WeakPolarHBondContact O-CG 3.4Å; S180-L184 PolarHBondContact O-N 3.33Å; V182-L184 PolarHBondContact O-N 2.99Å; L184-T186 PolarHBondContact O-N 2.93Å; L184-L187 WeakPolarHBondContact O-CB 3.4Å; L184-L187 VanDerWaalsContact O-CD1 3.26Å; L184-L187 WeakPolarHBondContact O-CD1 3.3Å; L184-L187 WeakPolarHBondContact O-CG 3.4Å; L184-L187 PolarHBondContact O-N 3.09Å; L184-I194 HydrophobicContact CB-CD1 4.08Å; L184-I194 HydrophobicContact CB-CG2 4.5Å; L184-I194 WeakPolarHBondContact O-CD1 3.35Å
185	S	75.5	Confident	78.3	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-70.7	-18.5	176.7	-59	0	0	0	0	114	C181 V182 N183 L187 I194 Y195	C181-S185 WeakPolarHBondContact O-CB 3.29Å; C181-S185 PolarHBondContact O-N 3.46Å; C181-S185 PolarHBondContact O-OG 3.28Å; V182-S185 VanDerWaalsContact O-CB 3.27Å; V182-S185 WeakPolarHBondContact O-CB 3.2Å; V182-S185 PolarHBondContact O-N 3.46Å; N183-S185 PolarHBondContact O-N 3.31Å; S185-L187 PolarHBondContact O-N 3.27Å; S185-L187 VanDerWaalsContact O-N 3.1Å; S185-I194 WeakPolarHBondContact OG-CB 3.39Å; S185-I194 PolarHBondContact OG-N 3.45Å; S185-Y195 WeakPolarHBondContact OG-CB 3.36Å; S185-Y195 PolarHBondContact OG-N 3.28Å
186	T	71.1	Confident	78.1	Confident	57 Å²	57	48.8 Å²	48.8	35%	0.35	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.7	177.2	64.4	0	0	0	0	113.5	N183 L184 S188	N183-T186 WeakPolarHBondContact O-CB 3.39Å; N183-T186 PolarHBondContact O-N 3.37Å; N183-T186 PolarHBondContact O-OG1 3.37Å; L184-T186 PolarHBondContact O-N 2.93Å; T186-S188 PolarHBondContact O-N 3.49Å
187	L	62.4	Low	77.9	Confident	21 Å²	21	52.9 Å²	52.9	11%	0.11	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-22.1	-179.1	-65.2	176.2	0	0	0	114.4	K134 L137 E138 N141 L184 S185	K134-L187 HydrophobicContact CB-CD2 4.36Å; K134-L187 VanDerWaalsContact CE-O 3.31Å; K134-L187 WeakPolarHBondContact CE-O 3.37Å; K134-L187 HydrophobicContact CG-CD2 3.64Å; K134-L187 VanDerWaalsContact O-CD2 3.29Å; K134-L187 WeakPolarHBondContact O-CD2 3.39Å; L137-L187 HydrophobicContact CB-CD1 4.09Å; L137-L187 HydrophobicContact CB-CD2 3.53Å; L137-L187 HydrophobicContact CB-CG 4.06Å; L137-L187 HydrophobicContact CD1-CD2 4.43Å; E138-L187 HydrophobicContact CB-CD1 4.47Å; E138-L187 HydrophobicContact CG-CD1 3.89Å; E138-L187 HydrophobicContact CG-CD2 3.65Å; E138-L187 HydrophobicContact CG-CG 4.23Å; N141-L187 HydrophobicContact CB-CD1 4.22Å; L184-L187 WeakPolarHBondContact O-CB 3.4Å; L184-L187 VanDerWaalsContact O-CD1 3.26Å; L184-L187 WeakPolarHBondContact O-CD1 3.3Å; L184-L187 WeakPolarHBondContact O-CG 3.4Å; L184-L187 PolarHBondContact O-N 3.09Å; S185-L187 PolarHBondContact O-N 3.27Å; S185-L187 VanDerWaalsContact O-N 3.1Å
188	S	58.1	Low	77.7	Confident	67 Å²	67	54.3 Å²	54.3	47%	0.469	27%	0.273	S	S	.	.			trans	-112.9	127.9	-175.3	-170.1	0	0	0	0	111.3	T186 K190	T186-S188 PolarHBondContact O-N 3.49Å; S188-K190 PolarHBondContact O-N 2.84Å; S188-K190 PolarHBondContact OG-N 3.3Å
189	E	57.4	Low	77.7	Confident	197 Å²	197	52.7 Å²	52.7	92%	0.921	27%	0.267	S	S	*	.	S	Bend	trans	-57.5	-17.6	169.3	-72.7	179.2	173	0	0	112.6
190	K	49.7	Very low	77.9	Confident	156 Å²	156	49.9 Å²	49.9	68%	0.678	25%	0.254	S	S	*	.	S	Bend	trans	-100.6	90.5	175.6	-69.1	-176	179.1	177.8	0	110.4	S188	S188-K190 PolarHBondContact O-N 2.84Å; S188-K190 PolarHBondContact OG-N 3.3Å
191	S	55.8	Low	78	Confident	84 Å²	84	55 Å²	55	59%	0.587	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	85.5	146.9	162.5	0	0	0	0	115.5	R193	S191-R193 WeakPolarHBondContact O-CA 3.34Å; S191-R193 VanDerWaalsContact O-CG 3.31Å; S191-R193 WeakPolarHBondContact O-CG 3.48Å; S191-R193 PolarHBondContact O-N 2.91Å
192	F	68.3	Low	78.3	Confident	59 Å²	59	56.2 Å²	56.2	26%	0.259	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	19.7	149.2	-51	-59.6	0	0	0	119.4	I194 Y195 V196 E251 F252	F192-I194 PolarHBondContact O-N 2.94Å; F192-Y195 PolarHBondContact O-N 2.91Å; F192-V196 HydrophobicContact CB-CG2 4.15Å; F192-V196 WeakPolarHBondContact O-CG2 3.32Å; F192-V196 PolarHBondContact O-N 3.43Å; F192-V196 VanDerWaalsContact O-N 3.1Å; F192-E251 HydrophobicContact CE2-CB 3.9Å; F192-E251 HydrophobicContact CZ-CB 4.08Å; F192-E251 WeakPolarHBondContact CZ-OE2 3.44Å; F192-F252 HydrophobicContact CB-CD1 3.93Å; F192-F252 HydrophobicContact CB-CE1 3.55Å; F192-F252 HydrophobicContact CB-CZ 4.31Å; F192-F252 HydrophobicContact CD1-CD1 4.27Å; F192-F252 AromaticContact CD1-CE1 3.38Å; F192-F252 HydrophobicContact CD1-CE1 3.38Å; F192-F252 AromaticContact CD1-CE2 4Å; F192-F252 HydrophobicContact CD1-CE2 4Å; F192-F252 AromaticContact CD1-CZ 3.2Å; F192-F252 HydrophobicContact CD1-CZ 3.2Å; F192-F252 HydrophobicContact CD2-CD1 4.41Å; F192-F252 HydrophobicContact CD2-CE1 4.27Å; F192-F252 HydrophobicContact CD2-CZ 4.46Å; F192-F252 HydrophobicContact CE1-CE1 4.14Å; F192-F252 AromaticContact CE1-CE2 3.9Å; F192-F252 HydrophobicContact CE1-CE2 3.9Å; F192-F252 AromaticContact CE1-CZ 3.51Å; F192-F252 HydrophobicContact CE1-CZ 3.51Å; F192-F252 AromaticContact CG-CD1 3.95Å; F192-F252 HydrophobicContact CG-CD1 3.95Å; F192-F252 AromaticContact CG-CE1 3.46Å; F192-F252 HydrophobicContact CG-CE1 3.46Å; F192-F252 VanDerWaalsContact CG-CE1 3.46Å; F192-F252 HydrophobicContact CG-CE2 4.44Å; F192-F252 AromaticContact CG-CZ 3.74Å; F192-F252 HydrophobicContact CG-CZ 3.74Å; F192-F252 HydrophobicContact CZ-CE2 4.27Å; F192-F252 HydrophobicContact CZ-CZ 4.26Å
193	R	76.7	Confident	78.7	Confident	154 Å²	154	55.4 Å²	55.4	58%	0.581	28%	0.281	S	S	*	.	H	α-helix	trans	-63	-40.3	-161.4	-80	-171.3	167.9	-172.7	-8	114.2	S191 Y195 V196 D197	S191-R193 WeakPolarHBondContact O-CA 3.34Å; S191-R193 VanDerWaalsContact O-CG 3.31Å; S191-R193 WeakPolarHBondContact O-CG 3.48Å; S191-R193 PolarHBondContact O-N 2.91Å; R193-Y195 VanDerWaalsContact C-N 3.32Å; R193-Y195 PolarHBondContact O-N 3.29Å; R193-V196 PolarHBondContact O-N 3.41Å; R193-D197 WeakPolarHBondContact O-CB 3.34Å; R193-D197 VanDerWaalsContact O-CG 3.31Å; R193-D197 PolarHBondContact O-N 3.46Å
194	I	82.6	Confident	79.2	Confident	35 Å²	35	54.9 Å²	54.9	18%	0.179	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-42.6	-175.5	-58.7	-178.7	0	0	0	110.3	Y145 L184 S185 F192 N198	Y145-I194 HydrophobicContact CE1-CG2 3.65Å; L184-I194 HydrophobicContact CB-CD1 4.08Å; L184-I194 HydrophobicContact CB-CG2 4.5Å; L184-I194 WeakPolarHBondContact O-CD1 3.35Å; S185-I194 WeakPolarHBondContact OG-CB 3.39Å; S185-I194 PolarHBondContact OG-N 3.45Å; F192-I194 PolarHBondContact O-N 2.94Å; I194-N198 WeakPolarHBondContact O-CB 3.37Å; I194-N198 PolarHBondContact O-N 2.98Å; I194-N198 PolarHBondContact O-ND2 2.84Å
195	Y	89.9	Confident	79.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-67.4	-49.3	175.4	171.7	-98.9	0	0	0	112.1	R178 C181 V182 S185 F192 R193 F199 E200 L246 E247 F252 S254	R178-Y195 HydrophobicContact CG-CD2 4.49Å; R178-Y195 HydrophobicContact CG-CE2 3.84Å; C181-Y195 HydrophobicContact CB-CD2 4.15Å; V182-Y195 HydrophobicContact CG2-CD2 3.49Å; V182-Y195 VanDerWaalsContact CG2-CD2 3.49Å; V182-Y195 HydrophobicContact CG2-CE2 4Å; V182-Y195 HydrophobicContact CG2-CG 3.79Å; S185-Y195 WeakPolarHBondContact OG-CB 3.36Å; S185-Y195 PolarHBondContact OG-N 3.28Å; F192-Y195 PolarHBondContact O-N 2.91Å; R193-Y195 VanDerWaalsContact C-N 3.32Å; R193-Y195 PolarHBondContact O-N 3.29Å; Y195-F199 HydrophobicContact CD2-CB 4.14Å; Y195-F199 HydrophobicContact CD2-CD1 4.32Å; Y195-F199 HydrophobicContact CE2-CB 4.27Å; Y195-F199 AromaticContact CE2-CD1 3.66Å; Y195-F199 HydrophobicContact CE2-CD1 3.66Å; Y195-F199 HydrophobicContact CE2-CE1 4.49Å; Y195-F199 HydrophobicContact CE2-CG 4.35Å; Y195-F199 PolarHBondContact O-N 3.32Å; Y195-E200 HydrophobicContact CD1-CB 4.4Å; Y195-E200 HydrophobicContact CE1-CB 3.91Å; Y195-E200 PolarHBondContact O-N 3.35Å; Y195-L246 WeakPolarHBondContact OH-CA 3.19Å; Y195-L246 WeakPolarHBondContact OH-CD2 3.5Å; Y195-E247 HydrophobicContact CE1-CB 3.98Å; Y195-E247 HydrophobicContact CE2-CB 4.38Å; Y195-E247 PolarHBondContact OH-N 2.95Å; Y195-F252 AromaticContact CD1-CD1 3.45Å; Y195-F252 HydrophobicContact CD1-CD1 3.45Å; Y195-F252 VanDerWaalsContact CD1-CD1 3.45Å; Y195-F252 AromaticContact CD1-CE1 3.75Å; Y195-F252 HydrophobicContact CD1-CE1 3.75Å; Y195-F252 AromaticContact CE1-CD1 3.76Å; Y195-F252 HydrophobicContact CE1-CD1 3.76Å; Y195-F252 HydrophobicContact CE1-CE1 4.39Å; Y195-F252 HydrophobicContact CE1-CG 4.46Å; Y195-F252 HydrophobicContact CG-CD1 4.37Å; Y195-F252 HydrophobicContact CG-CE1 4.25Å; Y195-S254 WeakPolarHBondContact CE1-OG 3.27Å; Y195-S254 PolarHBondContact OH-OG 2.89Å
196	V	88.8	Confident	80.6	Confident	34 Å²	34	60.2 Å²	60.2	21%	0.206	30%	0.304	C	S	.	.	I	π-helix	trans	-66.3	-49.9	-174.9	174.4	0	0	0	0	111.6	F192 R193 N198 K201	F192-V196 HydrophobicContact CB-CG2 4.15Å; F192-V196 WeakPolarHBondContact O-CG2 3.32Å; F192-V196 PolarHBondContact O-N 3.43Å; F192-V196 VanDerWaalsContact O-N 3.1Å; R193-V196 PolarHBondContact O-N 3.41Å; V196-N198 VanDerWaalsContact C-N 3.33Å; V196-N198 PolarHBondContact O-N 3.45Å; V196-K201 WeakPolarHBondContact O-CB 3.39Å; V196-K201 PolarHBondContact O-N 3Å; V196-K201 VanDerWaalsContact O-N 3.13Å
197	D	87.1	Confident	81.8	Confident	88 Å²	88	57.6 Å²	57.6	47%	0.471	29%	0.287	S	S	.	.	I	π-helix	trans	-74.5	-24.4	-173	-64.2	-25.9	0	0	0	112.7	R193	R193-D197 WeakPolarHBondContact O-CB 3.34Å; R193-D197 VanDerWaalsContact O-CG 3.31Å; R193-D197 PolarHBondContact O-N 3.46Å
198	N	89.1	Confident	83.4	Confident	31 Å²	31	58.7 Å²	58.7	17%	0.166	29%	0.292	C	S	.	.	I	π-helix	trans	-105.8	-69.9	-178.1	-57.6	-27.7	0	0	0	111.9	Y145 L153 I194 V196 A202	Y145-N198 PolarHBondContact OH-ND2 3.23Å; L153-N198 HydrophobicContact CD1-CB 3.89Å; L153-N198 HydrophobicContact CD2-CB 4.45Å; I194-N198 WeakPolarHBondContact O-CB 3.37Å; I194-N198 PolarHBondContact O-N 2.98Å; I194-N198 PolarHBondContact O-ND2 2.84Å; V196-N198 VanDerWaalsContact C-N 3.33Å; V196-N198 PolarHBondContact O-N 3.45Å; N198-A202 WeakPolarHBondContact O-CB 3.23Å; N198-A202 PolarHBondContact O-N 2.95Å
199	F	92.5	Very high	85.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-77.9	-50.6	-168.8	-171.2	-92	0	0	0	112.8	L153 A156 V174 V177 R178 C181 Y195 K201 A202 Y203 Y245 L246	L153-F199 HydrophobicContact CD2-CB 4.13Å; L153-F199 HydrophobicContact CD2-CD2 3.88Å; L153-F199 HydrophobicContact CD2-CG 4.49Å; A156-F199 HydrophobicContact CB-CE2 4.3Å; V174-F199 HydrophobicContact CG1-CE2 4.42Å; V174-F199 HydrophobicContact CG1-CZ 3.88Å; V177-F199 HydrophobicContact CB-CE2 4.26Å; V177-F199 HydrophobicContact CG1-CD2 3.75Å; V177-F199 HydrophobicContact CG1-CE2 3.88Å; R178-F199 HydrophobicContact CB-CD1 4.38Å; R178-F199 HydrophobicContact CB-CE1 3.97Å; R178-F199 HydrophobicContact CB-CZ 4.14Å; R178-F199 HydrophobicContact CG-CE1 4.3Å; C181-F199 HydrophobicContact CB-CB 4.32Å; Y195-F199 HydrophobicContact CD2-CB 4.14Å; Y195-F199 HydrophobicContact CD2-CD1 4.32Å; Y195-F199 HydrophobicContact CE2-CB 4.27Å; Y195-F199 AromaticContact CE2-CD1 3.66Å; Y195-F199 HydrophobicContact CE2-CD1 3.66Å; Y195-F199 HydrophobicContact CE2-CE1 4.49Å; Y195-F199 HydrophobicContact CE2-CG 4.35Å; Y195-F199 PolarHBondContact O-N 3.32Å; F199-K201 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 3.21Å; F199-A202 PolarHBondContact O-N 3.05Å; F199-Y203 HydrophobicContact CE1-CD2 4.45Å; F199-Y203 VanDerWaalsContact O-CB 3.28Å; F199-Y203 WeakPolarHBondContact O-CB 3.33Å; F199-Y203 PolarHBondContact O-N 3.46Å; F199-Y245 WeakPolarHBondContact CE1-O 3.44Å; F199-L246 HydrophobicContact CD1-CD2 4.43Å; F199-L246 HydrophobicContact CE1-CD2 4.22Å
200	E	93.6	Very high	86.9	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.047	25%	0.25	C	C	.	.	I	π-helix	trans	-58.8	-48	177.9	-179.8	-177.8	103.2	0	0	110.3	Y195 Y203 I204 S254 K257	Y195-E200 HydrophobicContact CD1-CB 4.4Å; Y195-E200 HydrophobicContact CE1-CB 3.91Å; Y195-E200 PolarHBondContact O-N 3.35Å; E200-Y203 PolarHBondContact O-N 3.44Å; E200-I204 HydrophobicContact CG-CD1 3.79Å; E200-I204 VanDerWaalsContact O-CG1 3.28Å; E200-I204 WeakPolarHBondContact O-CG1 3.24Å; E200-I204 PolarHBondContact O-N 3.35Å; E200-S254 WeakPolarHBondContact OE2-CA 3.36Å; E200-S254 WeakPolarHBondContact OE2-CB 3.19Å; E200-S254 PolarHBondContact OE2-OG 3.16Å; E200-K257 WeakPolarHBondContact OE1-CD 3.47Å; E200-K257 IonicContact OE1-NZ 3.71Å; E200-K257 PolarHBondContact OE1-NZ 2.92Å; E200-K257 IonicContact OE2-NZ 2.74Å; E200-K257 PolarHBondContact OE2-NZ 3.41Å
201	K	93.4	Very high	89.2	Confident	108 Å²	108	42.6 Å²	42.6	47%	0.47	22%	0.218	S	C	.	.	H	α-helix	trans	-59.3	-52.6	177.7	-175.7	179.4	175.3	-175.9	0	112.5	V196 F199 Y203 I204 E205	V196-K201 WeakPolarHBondContact O-CB 3.39Å; V196-K201 PolarHBondContact O-N 3Å; V196-K201 VanDerWaalsContact O-N 3.13Å; F199-K201 VanDerWaalsContact C-N 3.34Å; F199-K201 PolarHBondContact O-N 3.21Å; K201-Y203 VanDerWaalsContact C-N 3.28Å; K201-Y203 PolarHBondContact O-N 3.26Å; K201-I204 PolarHBondContact O-N 3.08Å; K201-E205 WeakPolarHBondContact CE-OE1 3.22Å; K201-E205 HydrophobicContact CG-CG 4.36Å; K201-E205 IonicContact NZ-OE1 2.78Å; K201-E205 WeakPolarHBondContact O-CB 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.49Å; K201-E205 PolarHBondContact O-N 2.96Å
202	A	94.3	Very high	91	Very high	24 Å²	24	43.3 Å²	43.3	20%	0.198	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-37.6	179.6	0	0	0	0	0	112	I157 N198 F199 S206	I157-A202 HydrophobicContact CD1-CB 4.19Å; I157-A202 HydrophobicContact CG1-CB 4.2Å; N198-A202 WeakPolarHBondContact O-CB 3.23Å; N198-A202 PolarHBondContact O-N 2.95Å; F199-A202 PolarHBondContact O-N 3.05Å; A202-S206 WeakPolarHBondContact O-CB 3.35Å; A202-S206 PolarHBondContact O-N 3.49Å
203	Y	95.9	Very high	92.1	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-51.5	175	-170.3	-71.8	0	0	0	110.7	I160 F199 E200 K201 S206 T207 E238 Y245 L246 L258	I160-Y203 HydrophobicContact CD1-CD2 3.52Å; I160-Y203 HydrophobicContact CD1-CE2 3.53Å; I160-Y203 HydrophobicContact CG1-CE2 4.23Å; I160-Y203 HydrophobicContact CG2-CE2 4Å; F199-Y203 HydrophobicContact CE1-CD2 4.45Å; F199-Y203 VanDerWaalsContact O-CB 3.28Å; F199-Y203 WeakPolarHBondContact O-CB 3.33Å; F199-Y203 PolarHBondContact O-N 3.46Å; E200-Y203 PolarHBondContact O-N 3.44Å; K201-Y203 VanDerWaalsContact C-N 3.28Å; K201-Y203 PolarHBondContact O-N 3.26Å; Y203-S206 PolarHBondContact O-N 3.49Å; Y203-T207 WeakPolarHBondContact CD1-OG1 3.35Å; Y203-T207 WeakPolarHBondContact CE1-OG1 3.27Å; Y203-T207 WeakPolarHBondContact O-CB 3.04Å; Y203-T207 PolarHBondContact O-N 2.83Å; Y203-T207 PolarHBondContact O-OG1 3.26Å; Y203-E238 PolarHBondContact OH-OE1 3.14Å; Y203-Y245 HydrophobicContact CE2-CD2 4.37Å; Y203-L246 HydrophobicContact CD1-CD1 4.27Å; Y203-L246 HydrophobicContact CD1-CD2 4.11Å; Y203-L246 HydrophobicContact CD1-CG 4.41Å; Y203-L246 HydrophobicContact CD2-CD2 4.01Å; Y203-L246 HydrophobicContact CE1-CD1 4.41Å; Y203-L246 HydrophobicContact CG-CD2 3.78Å; Y203-L246 HydrophobicContact CG-CG 4.46Å; Y203-L258 HydrophobicContact CD1-CD1 3.83Å; Y203-L258 HydrophobicContact CD1-CD2 4.21Å; Y203-L258 HydrophobicContact CE1-CD1 3.81Å; Y203-L258 HydrophobicContact CE1-CD2 3.56Å; Y203-L258 HydrophobicContact CE1-CG 4.32Å
204	I	96.2	Very high	92.9	Very high	24 Å²	24	42.4 Å²	42.4	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-48.6	-177.4	-68.9	172	0	0	0	111.1	E200 K201 S206 T207 E208 K257 L258 V261	E200-I204 HydrophobicContact CG-CD1 3.79Å; E200-I204 VanDerWaalsContact O-CG1 3.28Å; E200-I204 WeakPolarHBondContact O-CG1 3.24Å; E200-I204 PolarHBondContact O-N 3.35Å; K201-I204 PolarHBondContact O-N 3.08Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 3.3Å; I204-T207 WeakPolarHBondContact O-CB 3.15Å; I204-T207 PolarHBondContact O-N 3.17Å; I204-T207 VanDerWaalsContact O-N 3.1Å; I204-E208 PolarHBondContact O-N 2.87Å; I204-K257 HydrophobicContact CD1-CB 4.19Å; I204-L258 HydrophobicContact CB-CD1 4.46Å; I204-L258 HydrophobicContact CG1-CB 4.28Å; I204-L258 HydrophobicContact CG1-CD1 3.87Å; I204-V261 HydrophobicContact CG2-CB 4.03Å; I204-V261 HydrophobicContact CG2-CG1 4Å; I204-V261 HydrophobicContact CG2-CG2 3.68Å
205	E	95.5	Very high	93.5	Very high	105 Å²	105	40.8 Å²	40.8	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-63.1	-40	-179.6	-70.9	177.5	167.4	0	0	112	K201 T207 S209	K201-E205 WeakPolarHBondContact CE-OE1 3.22Å; K201-E205 HydrophobicContact CG-CG 4.36Å; K201-E205 IonicContact NZ-OE1 2.78Å; K201-E205 WeakPolarHBondContact O-CB 3.41Å; K201-E205 WeakPolarHBondContact O-CG 3.49Å; K201-E205 PolarHBondContact O-N 2.96Å; E205-T207 VanDerWaalsContact C-N 3.32Å; E205-T207 PolarHBondContact O-N 3.5Å; E205-S209 WeakPolarHBondContact O-CB 3.46Å; E205-S209 PolarHBondContact O-N 3.25Å; E205-S209 PolarHBondContact O-OG 3.16Å
206	S	95.1	Very high	93.6	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-36.9	173.6	179.2	0	0	0	0	112.2	I157 Q161 A202 Y203 I204 S209 F210	I157-S206 VanDerWaalsContact CG2-CB 3.45Å; I157-S206 WeakPolarHBondContact CG2-OG 3.4Å; Q161-S206 PolarHBondContact NE2-OG 3.48Å; A202-S206 WeakPolarHBondContact O-CB 3.35Å; A202-S206 PolarHBondContact O-N 3.49Å; Y203-S206 PolarHBondContact O-N 3.49Å; I204-S206 VanDerWaalsContact C-N 3.35Å; I204-S206 PolarHBondContact O-N 3.3Å; S206-S209 WeakPolarHBondContact CA-OG 3.41Å; S206-S209 PolarHBondContact O-OG 2.75Å; S206-S209 VanDerWaalsContact O-OG 3.13Å; S206-F210 WeakPolarHBondContact O-CB 3.19Å; S206-F210 PolarHBondContact O-N 2.74Å
207	T	95.9	Very high	93.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-48.4	177.9	-50.8	0	0	0	0	111.4	R164 Y203 I204 E205 F210 Y211 E238 L258	R164-T207 PolarHBondContact NH2-OG1 2.98Å; Y203-T207 WeakPolarHBondContact CD1-OG1 3.35Å; Y203-T207 WeakPolarHBondContact CE1-OG1 3.27Å; Y203-T207 WeakPolarHBondContact O-CB 3.04Å; Y203-T207 PolarHBondContact O-N 2.83Å; Y203-T207 PolarHBondContact O-OG1 3.26Å; I204-T207 WeakPolarHBondContact O-CB 3.15Å; I204-T207 PolarHBondContact O-N 3.17Å; I204-T207 VanDerWaalsContact O-N 3.1Å; E205-T207 VanDerWaalsContact C-N 3.32Å; E205-T207 PolarHBondContact O-N 3.5Å; T207-F210 PolarHBondContact O-N 2.73Å; T207-Y211 HydrophobicContact CG2-CD2 3.66Å; T207-Y211 HydrophobicContact CG2-CE2 3.7Å; T207-Y211 VanDerWaalsContact O-CD2 3.31Å; T207-Y211 WeakPolarHBondContact O-CD2 3.23Å; T207-Y211 PolarHBondContact O-N 3.04Å; T207-Y211 VanDerWaalsContact O-N 3.08Å; T207-E238 HydrophobicContact CG2-CG 4.02Å; T207-L258 HydrophobicContact CG2-CD1 4.02Å
208	E	95.7	Very high	94.3	Very high	45 Å²	45	46.9 Å²	46.9	21%	0.21	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-50.3	178.5	-177.5	176.9	178.5	0	0	111.2	I204 F210 Y211 R212 V261	I204-E208 PolarHBondContact O-N 2.87Å; E208-F210 PolarHBondContact O-N 2.87Å; E208-Y211 PolarHBondContact O-N 2.54Å; E208-R212 VanDerWaalsContact O-CB 3.27Å; E208-R212 WeakPolarHBondContact O-CB 3.29Å; E208-R212 PolarHBondContact O-N 3.14Å; E208-R212 IonicContact OE1-CZ 3.73Å; E208-R212 VanDerWaalsContact OE1-CZ 3.26Å; E208-R212 IonicContact OE1-NH1 2.92Å; E208-R212 PolarHBondContact OE1-NH1 2.75Å; E208-R212 IonicContact OE1-NH2 2.75Å; E208-R212 PolarHBondContact OE1-NH2 3.33Å; E208-V261 HydrophobicContact CB-CG1 3.9Å; E208-V261 HydrophobicContact CG-CG1 4.28Å
209	S	94.7	Very high	94.5	Very high	60 Å²	60	47 Å²	47	42%	0.42	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-40.7	-179.8	53.5	0	0	0	0	112.9	E205 S206	E205-S209 WeakPolarHBondContact O-CB 3.46Å; E205-S209 PolarHBondContact O-N 3.25Å; E205-S209 PolarHBondContact O-OG 3.16Å; S206-S209 WeakPolarHBondContact CA-OG 3.41Å; S206-S209 PolarHBondContact O-OG 2.75Å; S206-S209 VanDerWaalsContact O-OG 3.13Å
210	F	95.2	Very high	94.6	Very high	17 Å²	17	54.9 Å²	54.9	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-45.4	178	178.4	-87.3	0	0	0	112.5	Q161 R164 S206 T207 E208 R214	Q161-F210 HydrophobicContact CB-CD2 4.37Å; Q161-F210 HydrophobicContact CB-CE2 4.34Å; Q161-F210 HydrophobicContact CG-CD2 4.04Å; Q161-F210 HydrophobicContact CG-CE2 4.49Å; R164-F210 HydrophobicContact CB-CE1 3.67Å; R164-F210 HydrophobicContact CB-CE2 4.07Å; R164-F210 HydrophobicContact CB-CZ 3.41Å; R164-F210 VanDerWaalsContact CB-CZ 3.41Å; R164-F210 HydrophobicContact CG-CE1 4.27Å; R164-F210 HydrophobicContact CG-CZ 4.38Å; S206-F210 WeakPolarHBondContact O-CB 3.19Å; S206-F210 PolarHBondContact O-N 2.74Å; T207-F210 PolarHBondContact O-N 2.73Å; E208-F210 PolarHBondContact O-N 2.87Å; F210-R214 VanDerWaalsContact CD2-NH1 3.26Å
211	Y	96.1	Very high	94.7	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-81.2	-33.5	-176.9	-74.5	-58.7	0	0	0	113	T207 E208 I213 R214 I215 K234 E238 R241 F266	T207-Y211 HydrophobicContact CG2-CD2 3.66Å; T207-Y211 HydrophobicContact CG2-CE2 3.7Å; T207-Y211 VanDerWaalsContact O-CD2 3.31Å; T207-Y211 WeakPolarHBondContact O-CD2 3.23Å; T207-Y211 PolarHBondContact O-N 3.04Å; T207-Y211 VanDerWaalsContact O-N 3.08Å; E208-Y211 PolarHBondContact O-N 2.54Å; Y211-I213 VanDerWaalsContact C-N 3.32Å; Y211-I213 PolarHBondContact O-N 2.7Å; Y211-R214 PolarHBondContact O-N 3.13Å; Y211-I215 WeakPolarHBondContact O-CB 3.28Å; Y211-I215 WeakPolarHBondContact O-CD1 3.07Å; Y211-I215 WeakPolarHBondContact O-CG1 3.46Å; Y211-I215 PolarHBondContact O-N 2.84Å; Y211-K234 HydrophobicContact CE1-CB 4.41Å; Y211-E238 HydrophobicContact CE2-CB 4.49Å; Y211-E238 HydrophobicContact CE2-CG 4.11Å; Y211-E238 WeakPolarHBondContact CE2-OE2 3.38Å; Y211-E238 PolarHBondContact OH-OE2 2.78Å; Y211-R241 PolarHBondContact OH-NH1 3.5Å; Y211-F266 HydrophobicContact CD1-CE1 4.28Å; Y211-F266 AromaticContact CD1-CE2 3.97Å; Y211-F266 HydrophobicContact CD1-CE2 3.97Å; Y211-F266 AromaticContact CD1-CZ 3.36Å; Y211-F266 HydrophobicContact CD1-CZ 3.36Å; Y211-F266 AromaticContact CD2-CE2 3.55Å; Y211-F266 HydrophobicContact CD2-CE2 3.55Å; Y211-F266 AromaticContact CD2-CZ 3.81Å; Y211-F266 HydrophobicContact CD2-CZ 3.81Å; Y211-F266 HydrophobicContact CE1-CE2 4.4Å; Y211-F266 AromaticContact CE1-CZ 3.68Å; Y211-F266 HydrophobicContact CE1-CZ 3.68Å; Y211-F266 HydrophobicContact CE2-CE2 4.02Å; Y211-F266 HydrophobicContact CE2-CZ 4.09Å; Y211-F266 AromaticContact CG-CE2 3.53Å; Y211-F266 HydrophobicContact CG-CE2 3.53Å; Y211-F266 AromaticContact CG-CZ 3.43Å; Y211-F266 HydrophobicContact CG-CZ 3.43Å; Y211-F266 VanDerWaalsContact CG-CZ 3.43Å
212	R	93.6	Very high	94.8	Very high	99 Å²	99	61.3 Å²	61.3	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-53.6	-49.2	179.2	-177.1	173	-84.5	137.7	4	111.8	E208 D216 T265 D269	E208-R212 VanDerWaalsContact O-CB 3.27Å; E208-R212 WeakPolarHBondContact O-CB 3.29Å; E208-R212 PolarHBondContact O-N 3.14Å; E208-R212 IonicContact OE1-CZ 3.73Å; E208-R212 VanDerWaalsContact OE1-CZ 3.26Å; E208-R212 IonicContact OE1-NH1 2.92Å; E208-R212 PolarHBondContact OE1-NH1 2.75Å; E208-R212 IonicContact OE1-NH2 2.75Å; E208-R212 PolarHBondContact OE1-NH2 3.33Å; R212-D216 PolarHBondContact O-N 2.93Å; R212-T265 HydrophobicContact CB-CG2 4.33Å; R212-D269 IonicContact NH2-OD2 3.85Å
213	I	92.3	Very high	94.7	Very high	106 Å²	106	61.7 Å²	61.7	54%	0.544	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-46	179.4	-60.3	169.8	0	0	0	111.4	Y211 I215 D216 E217	Y211-I213 VanDerWaalsContact C-N 3.32Å; Y211-I213 PolarHBondContact O-N 2.7Å; I213-I215 PolarHBondContact O-N 3.28Å; I213-D216 PolarHBondContact O-N 3.24Å; I213-E217 WeakPolarHBondContact O-CG 3.45Å; I213-E217 PolarHBondContact O-N 3.31Å
214	R	93	Very high	94.6	Very high	89 Å²	89	62.7 Å²	62.7	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-33.4	-176.2	-83.4	-177.4	167.9	76.7	-2.1	113.6	C165 F210 Y211 Y218	C165-R214 PolarHBondContact SG-NH2 3.3Å; F210-R214 VanDerWaalsContact CD2-NH1 3.26Å; Y211-R214 PolarHBondContact O-N 3.13Å; R214-Y218 VanDerWaalsContact O-CB 3.26Å; R214-Y218 WeakPolarHBondContact O-CB 3.46Å; R214-Y218 PolarHBondContact O-N 2.79Å
215	I	95.2	Very high	94.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-47.2	179	-69.5	163.8	0	0	0	109.4	Y211 I213 E217 Y218 I219 Y227 T265 F266 Y270	Y211-I215 WeakPolarHBondContact O-CB 3.28Å; Y211-I215 WeakPolarHBondContact O-CD1 3.07Å; Y211-I215 WeakPolarHBondContact O-CG1 3.46Å; Y211-I215 PolarHBondContact O-N 2.84Å; I213-I215 PolarHBondContact O-N 3.28Å; I215-E217 VanDerWaalsContact C-N 3.35Å; I215-E217 PolarHBondContact O-N 3.13Å; I215-Y218 PolarHBondContact O-N 3.31Å; I215-Y218 VanDerWaalsContact O-N 3.15Å; I215-I219 HydrophobicContact CG2-CD1 3.6Å; I215-I219 HydrophobicContact CG2-CG1 4.22Å; I215-I219 WeakPolarHBondContact O-CG1 3.32Å; I215-I219 PolarHBondContact O-N 3.1Å; I215-Y227 HydrophobicContact CB-CE2 4.25Å; I215-Y227 HydrophobicContact CG1-CE2 4.09Å; I215-Y227 HydrophobicContact CG2-CD2 4.16Å; I215-Y227 HydrophobicContact CG2-CE2 3.36Å; I215-Y227 WeakPolarHBondContact CG2-OH 3.44Å; I215-T265 HydrophobicContact CD1-CG2 4.09Å; I215-F266 HydrophobicContact CD1-CD1 3.68Å; I215-F266 HydrophobicContact CD1-CD2 4.17Å; I215-F266 HydrophobicContact CD1-CE1 3.87Å; I215-F266 HydrophobicContact CD1-CE2 4.34Å; I215-F266 HydrophobicContact CD1-CG 3.87Å; I215-F266 HydrophobicContact CD1-CZ 4.22Å; I215-F266 HydrophobicContact CG1-CD1 4.17Å; I215-F266 HydrophobicContact CG1-CE1 4.07Å; I215-Y270 HydrophobicContact CB-CE2 4.17Å; I215-Y270 HydrophobicContact CD1-CE2 4.37Å; I215-Y270 HydrophobicContact CG2-CD1 4.48Å; I215-Y270 HydrophobicContact CG2-CD2 3.96Å; I215-Y270 HydrophobicContact CG2-CE1 3.93Å; I215-Y270 HydrophobicContact CG2-CE2 3.35Å; I215-Y270 HydrophobicContact CG2-CG 4.48Å; I215-Y270 WeakPolarHBondContact CG2-OH 3.19Å
216	D	93	Very high	94.5	Very high	72 Å²	72	62.2 Å²	62.2	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-56.5	-48.3	177	-79	-42.8	0	0	0	111.6	R212 I213 Y218 I219 Q220 Y270	R212-D216 PolarHBondContact O-N 2.93Å; I213-D216 PolarHBondContact O-N 3.24Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 PolarHBondContact O-N 3.33Å; D216-I219 PolarHBondContact O-N 3.01Å; D216-Q220 WeakPolarHBondContact O-CB 3.45Å; D216-Q220 VanDerWaalsContact O-CG 3.29Å; D216-Q220 WeakPolarHBondContact O-CG 3.36Å; D216-Q220 PolarHBondContact O-N 3.39Å; D216-Y270 VanDerWaalsContact CG-OH 3.31Å; D216-Y270 PolarHBondContact OD1-OH 3.37Å
217	E	94.6	Very high	94.5	Very high	119 Å²	119	61.8 Å²	61.8	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-60.7	-41.6	176.3	-70.4	176.7	171.2	0	0	112.5	I213 I215 K221	I213-E217 WeakPolarHBondContact O-CG 3.45Å; I213-E217 PolarHBondContact O-N 3.31Å; I215-E217 VanDerWaalsContact C-N 3.35Å; I215-E217 PolarHBondContact O-N 3.13Å; E217-K221 WeakPolarHBondContact O-CB 3.44Å; E217-K221 PolarHBondContact O-N 3.32Å; E217-K221 VanDerWaalsContact O-N 3.11Å
218	Y	95.2	Very high	94.5	Very high	60 Å²	60	61.8 Å²	61.8	24%	0.235	30%	0.299	C	S	.	.	H	α-helix	trans	-67.6	-44.6	-178.9	-167.5	-83.9	0	0	0	111.7	R214 I215 D216 Q220 K221 H222 Y227 Y230	R214-Y218 VanDerWaalsContact O-CB 3.26Å; R214-Y218 WeakPolarHBondContact O-CB 3.46Å; R214-Y218 PolarHBondContact O-N 2.79Å; I215-Y218 PolarHBondContact O-N 3.31Å; I215-Y218 VanDerWaalsContact O-N 3.15Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 PolarHBondContact O-N 3.33Å; Y218-Q220 VanDerWaalsContact C-N 3.35Å; Y218-K221 PolarHBondContact O-N 2.87Å; Y218-H222 HydrophobicContact CD1-CB 4.26Å; Y218-H222 AromaticContact CD2-CD2 3.71Å; Y218-H222 HydrophobicContact CE1-CB 3.91Å; Y218-H222 AromaticContact CE2-CD2 3.59Å; Y218-H222 AromaticContact CZ-CD2 3.79Å; Y218-H222 WeakPolarHBondContact O-CB 3.22Å; Y218-H222 PolarHBondContact O-N 3.42Å; Y218-Y227 HydrophobicContact CD1-CD2 4.26Å; Y218-Y230 HydrophobicContact CD1-CD1 4.07Å; Y218-Y230 HydrophobicContact CD1-CG 4.04Å; Y218-Y230 HydrophobicContact CD2-CD1 4.38Å; Y218-Y230 AromaticContact CD2-CD2 3.93Å; Y218-Y230 HydrophobicContact CD2-CD2 3.93Å; Y218-Y230 HydrophobicContact CD2-CE1 4.39Å; Y218-Y230 AromaticContact CD2-CE2 3.94Å; Y218-Y230 HydrophobicContact CD2-CE2 3.94Å; Y218-Y230 HydrophobicContact CD2-CG 4.15Å; Y218-Y230 HydrophobicContact CE1-CD1 4.28Å; Y218-Y230 HydrophobicContact CE1-CD2 4.25Å; Y218-Y230 AromaticContact CE1-CG 3.79Å; Y218-Y230 HydrophobicContact CE1-CG 3.79Å; Y218-Y230 AromaticContact CE2-CD2 3.53Å; Y218-Y230 HydrophobicContact CE2-CD2 3.53Å; Y218-Y230 AromaticContact CE2-CE2 3.9Å; Y218-Y230 HydrophobicContact CE2-CE2 3.9Å; Y218-Y230 AromaticContact CE2-CG 3.91Å; Y218-Y230 HydrophobicContact CE2-CG 3.91Å; Y218-Y230 HydrophobicContact CG-CD1 4.12Å; Y218-Y230 HydrophobicContact CG-CD2 4.44Å; Y218-Y230 HydrophobicContact CG-CE1 4.26Å; Y218-Y230 HydrophobicContact CG-CG 4.21Å; Y218-Y230 AromaticContact CZ-CD2 3.7Å; Y218-Y230 AromaticContact CZ-CG 3.71Å
219	I	94.6	Very high	94.5	Very high	32 Å²	32	65.1 Å²	65.1	16%	0.164	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-43	178.1	-68.7	171.7	0	0	0	110.2	I215 D216 K221 G223 I224 Y227 Y270	I215-I219 HydrophobicContact CG2-CD1 3.6Å; I215-I219 HydrophobicContact CG2-CG1 4.22Å; I215-I219 WeakPolarHBondContact O-CG1 3.32Å; I215-I219 PolarHBondContact O-N 3.1Å; D216-I219 PolarHBondContact O-N 3.01Å; I219-K221 VanDerWaalsContact C-N 3.29Å; I219-K221 PolarHBondContact O-N 3.3Å; I219-G223 WeakPolarHBondContact O-CA 3.44Å; I219-G223 PolarHBondContact O-N 2.68Å; I219-I224 HydrophobicContact CD1-CD1 4.24Å; I219-Y227 HydrophobicContact CD1-CD1 4.02Å; I219-Y227 HydrophobicContact CD1-CD2 4.05Å; I219-Y227 HydrophobicContact CD1-CE1 4.14Å; I219-Y227 HydrophobicContact CD1-CE2 4.22Å; I219-Y227 HydrophobicContact CD1-CG 3.93Å; I219-Y227 HydrophobicContact CG1-CD1 4.16Å; I219-Y227 HydrophobicContact CG1-CD2 3.68Å; I219-Y227 HydrophobicContact CG1-CE2 4.3Å; I219-Y227 HydrophobicContact CG1-CG 3.59Å; I219-Y270 HydrophobicContact CD1-CD1 3.37Å; I219-Y270 HydrophobicContact CD1-CE1 3.46Å; I219-Y270 VanDerWaalsContact CD1-CE1 3.46Å; I219-Y270 HydrophobicContact CD1-CG 4.05Å
220	Q	94	Very high	94.6	Very high	166 Å²	166	63.7 Å²	63.7	78%	0.776	30%	0.3	S	S	*	.	H	α-helix	trans	-61.1	-38.1	177.1	-74	177.1	15.6	0	0	112.6	D216 Y218	D216-Q220 WeakPolarHBondContact O-CB 3.45Å; D216-Q220 VanDerWaalsContact O-CG 3.29Å; D216-Q220 WeakPolarHBondContact O-CG 3.36Å; D216-Q220 PolarHBondContact O-N 3.39Å; Y218-Q220 VanDerWaalsContact C-N 3.35Å
221	K	95.7	Very high	94.7	Very high	165 Å²	165	62.9 Å²	62.9	72%	0.717	30%	0.297	S	S	*	.	H	α-helix	trans	-83.5	-38.4	-175.6	-172.8	175.8	176.1	-175.8	0	114.1	E217 Y218 I219	E217-K221 WeakPolarHBondContact O-CB 3.44Å; E217-K221 PolarHBondContact O-N 3.32Å; E217-K221 VanDerWaalsContact O-N 3.11Å; Y218-K221 PolarHBondContact O-N 2.87Å; I219-K221 VanDerWaalsContact C-N 3.29Å; I219-K221 PolarHBondContact O-N 3.3Å
222	H	94.7	Very high	94.6	Very high	89 Å²	89	63.5 Å²	63.5	41%	0.412	30%	0.3	S	S	.	.	H	α-helix	trans	-116	-12.7	-169.5	-61.9	-70.1	0	0	0	113.9	Y218	Y218-H222 HydrophobicContact CD1-CB 4.26Å; Y218-H222 AromaticContact CD2-CD2 3.71Å; Y218-H222 HydrophobicContact CE1-CB 3.91Å; Y218-H222 AromaticContact CE2-CD2 3.59Å; Y218-H222 AromaticContact CZ-CD2 3.79Å; Y218-H222 WeakPolarHBondContact O-CB 3.22Å; Y218-H222 PolarHBondContact O-N 3.42Å
223	G	93.7	Very high	94.8	Very high	31 Å²	31	63.6 Å²	63.6	32%	0.32	31%	0.305	S	S	.	.	H	α-helix	trans	78.3	169.6	-175.9	0	0	0	0	0	113.6	I219 R225 Y227	I219-G223 WeakPolarHBondContact O-CA 3.44Å; I219-G223 PolarHBondContact O-N 2.68Å; G223-R225 PolarHBondContact O-N 3.13Å; G223-Y227 PolarHBondContact O-N 3.47Å; G223-Y227 VanDerWaalsContact O-N 3.13Å
224	I	93.4	Very high	94.9	Very high	22 Å²	22	60.1 Å²	60.1	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-71.8	-27.3	-170.6	-167.4	72.2	0	0	0	113.7	I219 Y227 M228 H273 I274 E277	I219-I224 HydrophobicContact CD1-CD1 4.24Å; I224-Y227 HydrophobicContact CD1-CD1 3.61Å; I224-Y227 HydrophobicContact CD1-CE1 4.36Å; I224-Y227 HydrophobicContact CD1-CG 4.32Å; I224-Y227 WeakPolarHBondContact O-CB 3.15Å; I224-Y227 PolarHBondContact O-N 3.48Å; I224-M228 PolarHBondContact O-N 3.12Å; I224-M228 VanDerWaalsContact O-N 3.13Å; I224-H273 HydrophobicContact CD1-CB 3.84Å; I224-H273 HydrophobicContact CG1-CB 4.32Å; I224-I274 HydrophobicContact CD1-CG1 4.1Å; I224-I274 HydrophobicContact CG1-CG1 4.38Å; I224-E277 HydrophobicContact CG2-CB 4.31Å; I224-E277 HydrophobicContact CG2-CG 3.26Å
225	R	93.6	Very high	95.1	Very high	69 Å²	69	56 Å²	56	26%	0.26	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-50.9	177.3	-65.2	-173.2	-172.8	-165.7	3.8	111.5	G223 Y227 M228 E277 L281 E284 Q289	G223-R225 PolarHBondContact O-N 3.13Å; R225-Y227 PolarHBondContact O-N 2.93Å; R225-M228 HydrophobicContact CB-CE 4.42Å; R225-M228 HydrophobicContact CG-CE 4.42Å; R225-M228 PolarHBondContact O-N 2.88Å; R225-E277 IonicContact NE-OE2 3.53Å; R225-E277 IonicContact NH2-OE2 3.05Å; R225-L281 HydrophobicContact CG-CD2 4.45Å; R225-L281 VanDerWaalsContact CZ-CD2 3.49Å; R225-E284 IonicContact CZ-OE1 3.77Å; R225-E284 IonicContact CZ-OE2 3.41Å; R225-E284 VanDerWaalsContact CZ-OE2 3.31Å; R225-E284 IonicContact NH1-OE1 2.73Å; R225-E284 IonicContact NH1-OE2 2.9Å; R225-E284 PolarHBondContact NH1-OE2 3.42Å; R225-E284 VanDerWaalsContact NH2-CD 3.31Å; R225-E284 IonicContact NH2-OE1 3.7Å; R225-E284 PolarHBondContact NH2-OE1 3.29Å; R225-E284 IonicContact NH2-OE2 3.99Å; R225-E284 PolarHBondContact NH2-OE2 2.94Å; R225-Q289 PolarHBondContact O-OE1 2.95Å
226	S	95	Very high	95.1	Very high	51 Å²	51	58.5 Å²	58.5	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-29.4	174.2	-62.6	0	0	0	0	112.3	M228 Y230	S226-M228 VanDerWaalsContact C-N 3.34Å; S226-Y230 WeakPolarHBondContact O-CB 3.49Å; S226-Y230 PolarHBondContact O-N 2.54Å; S226-Y230 VanDerWaalsContact O-N 3.16Å
227	Y	96.7	Very high	95.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-38.1	174.4	172.9	-108	0	0	0	112.9	I215 Y218 I219 G223 I224 R225 Q229 Y230 A231 F266 Y270 I274	I215-Y227 HydrophobicContact CB-CE2 4.25Å; I215-Y227 HydrophobicContact CG1-CE2 4.09Å; I215-Y227 HydrophobicContact CG2-CD2 4.16Å; I215-Y227 HydrophobicContact CG2-CE2 3.36Å; I215-Y227 WeakPolarHBondContact CG2-OH 3.44Å; Y218-Y227 HydrophobicContact CD1-CD2 4.26Å; I219-Y227 HydrophobicContact CD1-CD1 4.02Å; I219-Y227 HydrophobicContact CD1-CD2 4.05Å; I219-Y227 HydrophobicContact CD1-CE1 4.14Å; I219-Y227 HydrophobicContact CD1-CE2 4.22Å; I219-Y227 HydrophobicContact CD1-CG 3.93Å; I219-Y227 HydrophobicContact CG1-CD1 4.16Å; I219-Y227 HydrophobicContact CG1-CD2 3.68Å; I219-Y227 HydrophobicContact CG1-CE2 4.3Å; I219-Y227 HydrophobicContact CG1-CG 3.59Å; G223-Y227 PolarHBondContact O-N 3.47Å; G223-Y227 VanDerWaalsContact O-N 3.13Å; I224-Y227 HydrophobicContact CD1-CD1 3.61Å; I224-Y227 HydrophobicContact CD1-CE1 4.36Å; I224-Y227 HydrophobicContact CD1-CG 4.32Å; I224-Y227 WeakPolarHBondContact O-CB 3.15Å; I224-Y227 PolarHBondContact O-N 3.48Å; R225-Y227 PolarHBondContact O-N 2.93Å; Y227-Q229 VanDerWaalsContact C-N 3.34Å; Y227-Q229 PolarHBondContact O-N 3.02Å; Y227-Y230 HydrophobicContact CD2-CD1 4.01Å; Y227-Y230 HydrophobicContact CE2-CD1 4.13Å; Y227-Y230 CarbonylContact O-C 3.53Å; Y227-Y230 WeakPolarHBondContact O-CB 3.49Å; Y227-Y230 PolarHBondContact O-N 3.32Å; Y227-Y230 VanDerWaalsContact O-N 3.12Å; Y227-A231 HydrophobicContact CE1-CB 4.19Å; Y227-A231 HydrophobicContact CE2-CB 4.09Å; Y227-A231 WeakPolarHBondContact O-CB 3.28Å; Y227-A231 PolarHBondContact O-N 3.1Å; Y227-F266 VanDerWaalsContact OH-C 3.27Å; Y227-F266 VanDerWaalsContact OH-CA 3.27Å; Y227-F266 WeakPolarHBondContact OH-CA 3.28Å; Y227-F266 PolarHBondContact OH-O 2.92Å; Y227-Y270 HydrophobicContact CE1-CG 4.48Å; Y227-I274 HydrophobicContact CE1-CD1 4.43Å
228	M	95.5	Very high	95.3	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-45.1	-179.1	-70.1	-174.8	-79.4	0	0	112.3	I224 R225 S226 A231 L232 I274 L281 L292 C293 L296	I224-M228 PolarHBondContact O-N 3.12Å; I224-M228 VanDerWaalsContact O-N 3.13Å; R225-M228 HydrophobicContact CB-CE 4.42Å; R225-M228 HydrophobicContact CG-CE 4.42Å; R225-M228 PolarHBondContact O-N 2.88Å; S226-M228 VanDerWaalsContact C-N 3.34Å; M228-A231 PolarHBondContact O-N 3.02Å; M228-L232 WeakPolarHBondContact O-CG 3.39Å; M228-L232 PolarHBondContact O-N 3.44Å; M228-L232 VanDerWaalsContact O-N 3.13Å; M228-I274 HydrophobicContact SD-CG2 4.12Å; M228-L281 HydrophobicContact CE-CD1 4.02Å; M228-L292 HydrophobicContact CB-CB 4.14Å; M228-C293 HydrophobicContact SD-CB 3.63Å; M228-L296 HydrophobicContact CB-CD1 3.63Å; M228-L296 HydrophobicContact CG-CD1 3.77Å
229	Q	95.9	Very high	95.3	Very high	116 Å²	116	53.2 Å²	53.2	54%	0.542	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-43.3	174.8	-173.1	177	3	0	0	111.6	Y227 A231 L232 Q233 L292	Y227-Q229 VanDerWaalsContact C-N 3.34Å; Y227-Q229 PolarHBondContact O-N 3.02Å; Q229-A231 PolarHBondContact O-N 3.16Å; Q229-L232 PolarHBondContact O-N 3.35Å; Q229-Q233 WeakPolarHBondContact O-CB 3.37Å; Q229-Q233 PolarHBondContact O-N 3.22Å; Q229-L292 HydrophobicContact CB-CD1 4.04Å
230	Y	95.7	Very high	95.4	Very high	30 Å²	30	54.9 Å²	54.9	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-44.4	177.6	175.1	-97.8	0	0	0	112	Y218 S226 Y227 Q233 K234 F266	Y218-Y230 HydrophobicContact CD1-CD1 4.07Å; Y218-Y230 HydrophobicContact CD1-CG 4.04Å; Y218-Y230 HydrophobicContact CD2-CD1 4.38Å; Y218-Y230 AromaticContact CD2-CD2 3.93Å; Y218-Y230 HydrophobicContact CD2-CD2 3.93Å; Y218-Y230 HydrophobicContact CD2-CE1 4.39Å; Y218-Y230 AromaticContact CD2-CE2 3.94Å; Y218-Y230 HydrophobicContact CD2-CE2 3.94Å; Y218-Y230 HydrophobicContact CD2-CG 4.15Å; Y218-Y230 HydrophobicContact CE1-CD1 4.28Å; Y218-Y230 HydrophobicContact CE1-CD2 4.25Å; Y218-Y230 AromaticContact CE1-CG 3.79Å; Y218-Y230 HydrophobicContact CE1-CG 3.79Å; Y218-Y230 AromaticContact CE2-CD2 3.53Å; Y218-Y230 HydrophobicContact CE2-CD2 3.53Å; Y218-Y230 AromaticContact CE2-CE2 3.9Å; Y218-Y230 HydrophobicContact CE2-CE2 3.9Å; Y218-Y230 AromaticContact CE2-CG 3.91Å; Y218-Y230 HydrophobicContact CE2-CG 3.91Å; Y218-Y230 HydrophobicContact CG-CD1 4.12Å; Y218-Y230 HydrophobicContact CG-CD2 4.44Å; Y218-Y230 HydrophobicContact CG-CE1 4.26Å; Y218-Y230 HydrophobicContact CG-CG 4.21Å; Y218-Y230 AromaticContact CZ-CD2 3.7Å; Y218-Y230 AromaticContact CZ-CG 3.71Å; S226-Y230 WeakPolarHBondContact O-CB 3.49Å; S226-Y230 PolarHBondContact O-N 2.54Å; S226-Y230 VanDerWaalsContact O-N 3.16Å; Y227-Y230 HydrophobicContact CD2-CD1 4.01Å; Y227-Y230 HydrophobicContact CE2-CD1 4.13Å; Y227-Y230 CarbonylContact O-C 3.53Å; Y227-Y230 WeakPolarHBondContact O-CB 3.49Å; Y227-Y230 PolarHBondContact O-N 3.32Å; Y227-Y230 VanDerWaalsContact O-N 3.12Å; Y230-Q233 PolarHBondContact O-N 3.09Å; Y230-K234 HydrophobicContact CD1-CG 4.26Å; Y230-K234 HydrophobicContact CD2-CG 4.08Å; Y230-K234 HydrophobicContact CE1-CG 3.88Å; Y230-K234 HydrophobicContact CE2-CD 4.16Å; Y230-K234 VanDerWaalsContact CE2-CE 3.47Å; Y230-K234 HydrophobicContact CE2-CG 3.67Å; Y230-K234 HydrophobicContact CG-CG 4.36Å; Y230-K234 WeakPolarHBondContact O-CB 3.16Å; Y230-K234 WeakPolarHBondContact O-CG 3.47Å; Y230-K234 PolarHBondContact O-N 3.48Å; Y230-F266 HydrophobicContact CE1-CE1 4.37Å
231	A	96.5	Very high	95.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-45.9	178.6	0	0	0	0	0	111.4	Y227 M228 Q229 Q233 K234 L235 F266 L296	Y227-A231 HydrophobicContact CE1-CB 4.19Å; Y227-A231 HydrophobicContact CE2-CB 4.09Å; Y227-A231 WeakPolarHBondContact O-CB 3.28Å; Y227-A231 PolarHBondContact O-N 3.1Å; M228-A231 PolarHBondContact O-N 3.02Å; Q229-A231 PolarHBondContact O-N 3.16Å; A231-Q233 PolarHBondContact O-N 3.22Å; A231-K234 PolarHBondContact O-N 3.18Å; A231-L235 VanDerWaalsContact O-CB 3.32Å; A231-L235 WeakPolarHBondContact O-CB 3.27Å; A231-L235 VanDerWaalsContact O-CG 3.22Å; A231-L235 WeakPolarHBondContact O-CG 3.14Å; A231-L235 PolarHBondContact O-N 2.63Å; A231-F266 HydrophobicContact CB-CD1 3.92Å; A231-L296 HydrophobicContact CB-CD1 4.29Å; A231-L296 HydrophobicContact CB-CD2 3.9Å
232	L	95.9	Very high	95.5	Very high	17 Å²	17	40.5 Å²	40.5	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-46.5	176	-74.1	169.1	0	0	0	112.2	M228 Q229 A236 L292 E295 L296	M228-L232 WeakPolarHBondContact O-CG 3.39Å; M228-L232 PolarHBondContact O-N 3.44Å; M228-L232 VanDerWaalsContact O-N 3.13Å; Q229-L232 PolarHBondContact O-N 3.35Å; L232-A236 PolarHBondContact O-N 2.9Å; L232-A236 VanDerWaalsContact O-N 3.12Å; L232-L292 HydrophobicContact CD1-CB 4.01Å; L232-L292 HydrophobicContact CD1-CD2 3.51Å; L232-L292 HydrophobicContact CD1-CG 4.35Å; L232-E295 HydrophobicContact CD1-CB 4.2Å; L232-E295 HydrophobicContact CD2-CB 3.96Å; L232-L296 HydrophobicContact CD1-CG 4.3Å; L232-L296 HydrophobicContact CD2-CD2 3.64Å; L232-L296 HydrophobicContact CD2-CG 3.82Å; L232-L296 HydrophobicContact CG-CD1 4.41Å; L232-L296 HydrophobicContact CG-CD2 3.7Å; L232-L296 HydrophobicContact CG-CG 3.76Å
233	Q	96.1	Very high	95.5	Very high	101 Å²	101	40 Å²	40	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-48.8	178.2	-178.3	-176.8	-15	0	0	111.1	Q229 Y230 A231 A236 E237	Q229-Q233 WeakPolarHBondContact O-CB 3.37Å; Q229-Q233 PolarHBondContact O-N 3.22Å; Y230-Q233 PolarHBondContact O-N 3.09Å; A231-Q233 PolarHBondContact O-N 3.22Å; Q233-A236 PolarHBondContact O-N 3.35Å; Q233-E237 HydrophobicContact CG-CG 4.49Å; Q233-E237 WeakPolarHBondContact CG-OE1 3.48Å; Q233-E237 PolarHBondContact NE2-OE1 3.22Å; Q233-E237 WeakPolarHBondContact O-CG 3.31Å; Q233-E237 PolarHBondContact O-N 3.19Å
234	K	95.2	Very high	95.5	Very high	33 Å²	33	43.5 Å²	43.5	14%	0.143	23%	0.225	C	C	.	.	H	α-helix	trans	-69.3	-33.9	-177.4	-67.5	-56.9	174.7	-161.3	0	113.4	Y211 Y230 A231 E237 E238 F266	Y211-K234 HydrophobicContact CE1-CB 4.41Å; Y230-K234 HydrophobicContact CD1-CG 4.26Å; Y230-K234 HydrophobicContact CD2-CG 4.08Å; Y230-K234 HydrophobicContact CE1-CG 3.88Å; Y230-K234 HydrophobicContact CE2-CD 4.16Å; Y230-K234 VanDerWaalsContact CE2-CE 3.47Å; Y230-K234 HydrophobicContact CE2-CG 3.67Å; Y230-K234 HydrophobicContact CG-CG 4.36Å; Y230-K234 WeakPolarHBondContact O-CB 3.16Å; Y230-K234 WeakPolarHBondContact O-CG 3.47Å; Y230-K234 PolarHBondContact O-N 3.48Å; A231-K234 PolarHBondContact O-N 3.18Å; K234-E237 WeakPolarHBondContact CD-OE2 3.37Å; K234-E237 VanDerWaalsContact NZ-CD 3.26Å; K234-E237 IonicContact NZ-OE1 2.94Å; K234-E237 PolarHBondContact NZ-OE1 3.17Å; K234-E237 IonicContact NZ-OE2 2.82Å; K234-E237 PolarHBondContact NZ-OE2 2.49Å; K234-E237 PolarHBondContact O-N 3.39Å; K234-E238 VanDerWaalsContact O-CB 3.31Å; K234-E238 WeakPolarHBondContact O-CB 3.4Å; K234-E238 PolarHBondContact O-N 3.47Å; K234-F266 HydrophobicContact CB-CE1 3.62Å; K234-F266 HydrophobicContact CB-CZ 3.66Å; K234-F266 HydrophobicContact CG-CE1 4.38Å
235	L	96.3	Very high	95.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-45.7	170.6	-75.9	168.8	0	0	0	111.4	A231 E238 E239 M259 C262 L263 F266 V267 L296	A231-L235 VanDerWaalsContact O-CB 3.32Å; A231-L235 WeakPolarHBondContact O-CB 3.27Å; A231-L235 VanDerWaalsContact O-CG 3.22Å; A231-L235 WeakPolarHBondContact O-CG 3.14Å; A231-L235 PolarHBondContact O-N 2.63Å; L235-E238 PolarHBondContact O-N 2.98Å; L235-E239 WeakPolarHBondContact O-CB 3.48Å; L235-E239 PolarHBondContact O-N 3.2Å; L235-M259 HydrophobicContact CD2-CE 4.2Å; L235-C262 HydrophobicContact CD2-CB 3.72Å; L235-L263 HydrophobicContact CD1-CD2 4Å; L235-L263 HydrophobicContact CD2-CD2 4.17Å; L235-F266 HydrophobicContact CD1-CB 4.38Å; L235-F266 HydrophobicContact CD2-CB 4.3Å; L235-F266 HydrophobicContact CD2-CD2 4.02Å; L235-F266 HydrophobicContact CD2-CG 4.25Å; L235-F266 HydrophobicContact CG-CB 4.36Å; L235-F266 HydrophobicContact CG-CD2 4.44Å; L235-F266 HydrophobicContact CG-CG 4.28Å; L235-V267 HydrophobicContact CD1-CG2 4.14Å; L235-L296 HydrophobicContact CD1-CD2 4.09Å
236	A	96.2	Very high	95.6	Very high	54 Å²	54	39.1 Å²	39.1	45%	0.446	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-41.4	178.2	0	0	0	0	0	112.4	L232 Q233 A240	L232-A236 PolarHBondContact O-N 2.9Å; L232-A236 VanDerWaalsContact O-N 3.12Å; Q233-A236 PolarHBondContact O-N 3.35Å; A236-A240 PolarHBondContact O-N 3.43Å; A236-A240 VanDerWaalsContact O-N 3.09Å
237	E	95.8	Very high	95.4	Very high	46 Å²	46	37.7 Å²	37.7	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-42.5	174.2	-70.8	177.4	-154.2	0	0	111.7	Q233 K234 A240 R241	Q233-E237 HydrophobicContact CG-CG 4.49Å; Q233-E237 WeakPolarHBondContact CG-OE1 3.48Å; Q233-E237 PolarHBondContact NE2-OE1 3.22Å; Q233-E237 WeakPolarHBondContact O-CG 3.31Å; Q233-E237 PolarHBondContact O-N 3.19Å; K234-E237 WeakPolarHBondContact CD-OE2 3.37Å; K234-E237 VanDerWaalsContact NZ-CD 3.26Å; K234-E237 IonicContact NZ-OE1 2.94Å; K234-E237 PolarHBondContact NZ-OE1 3.17Å; K234-E237 IonicContact NZ-OE2 2.82Å; K234-E237 PolarHBondContact NZ-OE2 2.49Å; K234-E237 PolarHBondContact O-N 3.39Å; E237-A240 PolarHBondContact O-N 2.99Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 2.99Å; E237-R241 IonicContact OE2-CZ 3.72Å; E237-R241 IonicContact OE2-NH1 3.63Å; E237-R241 IonicContact OE2-NH2 2.89Å; E237-R241 PolarHBondContact OE2-NH2 3.47Å
238	E	96	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-36.5	-179	-163.4	59.5	-146.8	0	0	112.1	R164 Y203 T207 Y211 K234 L235 R241 A242 L258	R164-E238 IonicContact CZ-OE1 3.54Å; R164-E238 IonicContact CZ-OE2 3.91Å; R164-E238 IonicContact NE-OE1 3.5Å; R164-E238 IonicContact NE-OE2 3.16Å; R164-E238 PolarHBondContact NE-OE2 3.46Å; R164-E238 VanDerWaalsContact NE-OE2 3.16Å; R164-E238 IonicContact NH2-OE1 3.87Å; R164-E238 PolarHBondContact NH2-OE1 3.44Å; R164-E238 IonicContact NH2-OE2 3.03Å; Y203-E238 PolarHBondContact OH-OE1 3.14Å; T207-E238 HydrophobicContact CG2-CG 4.02Å; Y211-E238 HydrophobicContact CE2-CB 4.49Å; Y211-E238 HydrophobicContact CE2-CG 4.11Å; Y211-E238 WeakPolarHBondContact CE2-OE2 3.38Å; Y211-E238 PolarHBondContact OH-OE2 2.78Å; K234-E238 VanDerWaalsContact O-CB 3.31Å; K234-E238 WeakPolarHBondContact O-CB 3.4Å; K234-E238 PolarHBondContact O-N 3.47Å; L235-E238 PolarHBondContact O-N 2.98Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 IonicContact OE2-NH1 3.35Å; E238-R241 PolarHBondContact OE2-NH1 2.94Å; E238-A242 VanDerWaalsContact O-CB 3.31Å; E238-A242 WeakPolarHBondContact O-CB 3.47Å; E238-A242 PolarHBondContact O-N 3.48Å; E238-L258 HydrophobicContact CG-CD2 4.29Å
239	E	95.7	Very high	94.8	Very high	94 Å²	94	46 Å²	46	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-44.4	171.7	-172.6	170.9	-163.3	0	0	111.4	L235 R241 A242 V243 M259	L235-E239 WeakPolarHBondContact O-CB 3.48Å; L235-E239 PolarHBondContact O-N 3.2Å; E239-R241 PolarHBondContact O-N 3.29Å; E239-A242 WeakPolarHBondContact O-CB 3.19Å; E239-A242 PolarHBondContact O-N 3.27Å; E239-V243 WeakPolarHBondContact O-CG2 3.11Å; E239-V243 PolarHBondContact O-N 3.18Å; E239-M259 HydrophobicContact CB-CE 4.01Å; E239-M259 HydrophobicContact CB-SD 3.81Å; E239-M259 HydrophobicContact CG-CE 4.49Å; E239-M259 HydrophobicContact CG-SD 4.24Å
240	A	96.1	Very high	94.2	Very high	67 Å²	67	46 Å²	46	55%	0.554	25%	0.25	S	S	*	.	H	α-helix	trans	-63	-40.2	175.9	0	0	0	0	0	112.5	A236 E237 R244	A236-A240 PolarHBondContact O-N 3.43Å; A236-A240 VanDerWaalsContact O-N 3.09Å; E237-A240 PolarHBondContact O-N 2.99Å; A240-R244 PolarHBondContact O-N 3.47Å
241	R	95.7	Very high	93.5	Very high	29 Å²	29	50.9 Å²	50.9	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-39.6	173.7	-70.9	-176.6	-162.9	96.7	8.4	111.8	Y211 E237 E238 E239 V243 R244 Y245	Y211-R241 PolarHBondContact OH-NH1 3.5Å; E237-R241 WeakPolarHBondContact O-CG 3.29Å; E237-R241 PolarHBondContact O-N 2.99Å; E237-R241 IonicContact OE2-CZ 3.72Å; E237-R241 IonicContact OE2-NH1 3.63Å; E237-R241 IonicContact OE2-NH2 2.89Å; E237-R241 PolarHBondContact OE2-NH2 3.47Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 IonicContact OE2-NH1 3.35Å; E238-R241 PolarHBondContact OE2-NH1 2.94Å; E239-R241 PolarHBondContact O-N 3.29Å; R241-V243 PolarHBondContact O-N 3.5Å; R241-R244 WeakPolarHBondContact O-CB 3.33Å; R241-R244 PolarHBondContact O-N 2.89Å; R241-R244 VanDerWaalsContact O-N 3.09Å; R241-Y245 HydrophobicContact CB-CD2 4.28Å; R241-Y245 HydrophobicContact CB-CE2 4.42Å; R241-Y245 WeakPolarHBondContact O-CD2 3.48Å; R241-Y245 PolarHBondContact O-N 2.74Å
242	A	95.2	Very high	92.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-45.7	177.9	0	0	0	0	0	111.6	E238 E239 R244 Y245 L246 I255 L258	E238-A242 VanDerWaalsContact O-CB 3.31Å; E238-A242 WeakPolarHBondContact O-CB 3.47Å; E238-A242 PolarHBondContact O-N 3.48Å; E239-A242 WeakPolarHBondContact O-CB 3.19Å; E239-A242 PolarHBondContact O-N 3.27Å; A242-R244 PolarHBondContact O-N 2.96Å; A242-Y245 PolarHBondContact O-N 3.47Å; A242-L246 HydrophobicContact CB-CD1 4.16Å; A242-L246 WeakPolarHBondContact O-CA 3.42Å; A242-L246 VanDerWaalsContact O-CB 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.27Å; A242-L246 PolarHBondContact O-N 3.4Å; A242-I255 HydrophobicContact CB-CG1 4.24Å; A242-I255 HydrophobicContact CB-CG2 4.17Å; A242-L258 HydrophobicContact CB-CD2 3.44Å; A242-L258 VanDerWaalsContact CB-CD2 3.44Å
243	V	95.5	Very high	92.6	Very high	78 Å²	78	54.3 Å²	54.3	47%	0.473	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-33.8	175.3	173.5	0	0	0	0	111.7	E239 R241 T248 I255	E239-V243 WeakPolarHBondContact O-CG2 3.11Å; E239-V243 PolarHBondContact O-N 3.18Å; R241-V243 PolarHBondContact O-N 3.5Å; V243-T248 HydrophobicContact CG1-CG2 4.49Å; V243-I255 HydrophobicContact CB-CD1 4.43Å; V243-I255 HydrophobicContact CG2-CD1 3.84Å
244	R	94.2	Very high	92.4	Very high	104 Å²	104	49.5 Å²	49.5	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-76.9	-41.9	180	-169.2	-179.6	-174.8	-177.9	7.1	113.1	E163 S171 A240 R241 A242	E163-R244 IonicContact OE1-NH1 3.47Å; E163-R244 PolarHBondContact OE1-NH1 2.95Å; S171-R244 PolarHBondContact OG-NH2 2.97Å; A240-R244 PolarHBondContact O-N 3.47Å; R241-R244 WeakPolarHBondContact O-CB 3.33Å; R241-R244 PolarHBondContact O-N 2.89Å; R241-R244 VanDerWaalsContact O-N 3.09Å; A242-R244 PolarHBondContact O-N 2.96Å
245	Y	94.7	Very high	92.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-110	-23.7	-167.7	-60.5	-49.6	0	0	0	115.6	I160 E163 V174 I175 R178 F199 Y203 R241 A242	I160-Y245 HydrophobicContact CG1-CD2 4.34Å; E163-Y245 VanDerWaalsContact CD-OH 3.26Å; E163-Y245 PolarHBondContact OE1-OH 2.9Å; E163-Y245 WeakPolarHBondContact OE2-CE2 3.18Å; E163-Y245 PolarHBondContact OE2-OH 3.35Å; V174-Y245 HydrophobicContact CB-CD1 3.85Å; V174-Y245 HydrophobicContact CB-CE1 3.97Å; V174-Y245 HydrophobicContact CG1-CD1 3.55Å; V174-Y245 HydrophobicContact CG1-CE1 4.11Å; V174-Y245 HydrophobicContact CG1-CG 3.86Å; I175-Y245 HydrophobicContact CG1-CD1 4.09Å; I175-Y245 HydrophobicContact CG1-CE1 4.35Å; R178-Y245 WeakPolarHBondContact CD-O 3.49Å; R178-Y245 WeakPolarHBondContact CG-O 3.47Å; F199-Y245 WeakPolarHBondContact CE1-O 3.44Å; Y203-Y245 HydrophobicContact CE2-CD2 4.37Å; R241-Y245 HydrophobicContact CB-CD2 4.28Å; R241-Y245 HydrophobicContact CB-CE2 4.42Å; R241-Y245 WeakPolarHBondContact O-CD2 3.48Å; R241-Y245 PolarHBondContact O-N 2.74Å; A242-Y245 PolarHBondContact O-N 3.47Å
246	L	93.8	Very high	92.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-88.8	169.4	173.9	-62.6	179.8	0	0	0	110.7	Y195 F199 Y203 A242 I255 L258	Y195-L246 WeakPolarHBondContact OH-CA 3.19Å; Y195-L246 WeakPolarHBondContact OH-CD2 3.5Å; F199-L246 HydrophobicContact CD1-CD2 4.43Å; F199-L246 HydrophobicContact CE1-CD2 4.22Å; Y203-L246 HydrophobicContact CD1-CD1 4.27Å; Y203-L246 HydrophobicContact CD1-CD2 4.11Å; Y203-L246 HydrophobicContact CD1-CG 4.41Å; Y203-L246 HydrophobicContact CD2-CD2 4.01Å; Y203-L246 HydrophobicContact CE1-CD1 4.41Å; Y203-L246 HydrophobicContact CG-CD2 3.78Å; Y203-L246 HydrophobicContact CG-CG 4.46Å; A242-L246 HydrophobicContact CB-CD1 4.16Å; A242-L246 WeakPolarHBondContact O-CA 3.42Å; A242-L246 VanDerWaalsContact O-CB 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.27Å; A242-L246 PolarHBondContact O-N 3.4Å; L246-I255 HydrophobicContact CB-CG1 4.47Å; L246-L258 HydrophobicContact CD1-CB 3.98Å; L246-L258 HydrophobicContact CD1-CD2 3.83Å; L246-L258 HydrophobicContact CD1-CG 4.45Å
247	E	91.8	Very high	92.2	Very high	21 Å²	21	53.7 Å²	53.7	10%	0.098	29%	0.286	C	S	.	.			trans	-77.5	131.9	174.8	-172.2	47.8	-103	0	0	109.6	V182 Y195 Q249 F252	V182-E247 HydrophobicContact CG2-CB 4.41Å; V182-E247 HydrophobicContact CG2-CG 4.41Å; Y195-E247 HydrophobicContact CE1-CB 3.98Å; Y195-E247 HydrophobicContact CE2-CB 4.38Å; Y195-E247 PolarHBondContact OH-N 2.95Å; E247-Q249 HydrophobicContact CG-CB 4.17Å; E247-Q249 PolarHBondContact OE1-N 3.35Å; E247-Q249 VanDerWaalsContact OE1-N 3.16Å; E247-F252 HydrophobicContact CB-CB 4.28Å; E247-F252 HydrophobicContact CB-CD1 4.38Å; E247-F252 HydrophobicContact CB-CD2 4.22Å; E247-F252 HydrophobicContact CB-CG 4.05Å; E247-F252 HydrophobicContact CG-CB 4.29Å; E247-F252 HydrophobicContact CG-CD1 4.24Å; E247-F252 HydrophobicContact CG-CD2 3.38Å; E247-F252 HydrophobicContact CG-CE1 4.4Å; E247-F252 HydrophobicContact CG-CE2 3.61Å; E247-F252 HydrophobicContact CG-CG 3.71Å; E247-F252 HydrophobicContact CG-CZ 4.11Å
248	T	91.1	Very high	92.2	Very high	82 Å²	82	51.5 Å²	51.5	50%	0.503	28%	0.276	S	S	.	.			trans	-96.3	-13	-174.4	58.2	0	0	0	0	112.1	V243 I255	V243-T248 HydrophobicContact CG1-CG2 4.49Å; T248-I255 HydrophobicContact CG2-CD1 4.15Å
249	Q	87.2	Confident	92.2	Very high	93 Å²	93	52.6 Å²	52.6	44%	0.435	28%	0.281	S	S	.	.	S	Bend	trans	-61.4	134.8	176	-71.1	-174.9	-2.9	0	0	111.2	E247 E251 F252	E247-Q249 HydrophobicContact CG-CB 4.17Å; E247-Q249 PolarHBondContact OE1-N 3.35Å; E247-Q249 VanDerWaalsContact OE1-N 3.16Å; Q249-E251 PolarHBondContact O-N 2.92Å; Q249-E251 VanDerWaalsContact O-N 3.1Å; Q249-F252 HydrophobicContact CB-CD2 3.83Å; Q249-F252 HydrophobicContact CB-CE2 4.13Å; Q249-F252 PolarHBondContact O-N 3.4Å; Q249-F252 VanDerWaalsContact O-N 3.15Å
250	P	83.1	Confident	92.1	Very high	117 Å²	117	55.7 Å²	55.7	76%	0.76	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.2	-173.6	23.8	-33.4	0	0	0	113.2	F252 N253	P250-F252 VanDerWaalsContact C-N 3.26Å; P250-F252 PolarHBondContact O-N 3.1Å; P250-N253 PolarHBondContact O-N 3.3Å
251	E	82.4	Confident	92.1	Very high	132 Å²	132	54 Å²	54	62%	0.617	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.1	178.9	-64.5	163.6	-155.8	0	0	113	F192 Q249	F192-E251 HydrophobicContact CE2-CB 3.9Å; F192-E251 HydrophobicContact CZ-CB 4.08Å; F192-E251 WeakPolarHBondContact CZ-OE2 3.44Å; Q249-E251 PolarHBondContact O-N 2.92Å; Q249-E251 VanDerWaalsContact O-N 3.1Å
252	F	84	Confident	92.1	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.022	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-32.6	-179.4	-65.8	-98	0	0	0	112.7	V182 F192 Y195 E247 Q249 P250 S254 K257	V182-F252 HydrophobicContact CG1-CZ 3.98Å; F192-F252 HydrophobicContact CB-CD1 3.93Å; F192-F252 HydrophobicContact CB-CE1 3.55Å; F192-F252 HydrophobicContact CB-CZ 4.31Å; F192-F252 HydrophobicContact CD1-CD1 4.27Å; F192-F252 AromaticContact CD1-CE1 3.38Å; F192-F252 HydrophobicContact CD1-CE1 3.38Å; F192-F252 AromaticContact CD1-CE2 4Å; F192-F252 HydrophobicContact CD1-CE2 4Å; F192-F252 AromaticContact CD1-CZ 3.2Å; F192-F252 HydrophobicContact CD1-CZ 3.2Å; F192-F252 HydrophobicContact CD2-CD1 4.41Å; F192-F252 HydrophobicContact CD2-CE1 4.27Å; F192-F252 HydrophobicContact CD2-CZ 4.46Å; F192-F252 HydrophobicContact CE1-CE1 4.14Å; F192-F252 AromaticContact CE1-CE2 3.9Å; F192-F252 HydrophobicContact CE1-CE2 3.9Å; F192-F252 AromaticContact CE1-CZ 3.51Å; F192-F252 HydrophobicContact CE1-CZ 3.51Å; F192-F252 AromaticContact CG-CD1 3.95Å; F192-F252 HydrophobicContact CG-CD1 3.95Å; F192-F252 AromaticContact CG-CE1 3.46Å; F192-F252 HydrophobicContact CG-CE1 3.46Å; F192-F252 VanDerWaalsContact CG-CE1 3.46Å; F192-F252 HydrophobicContact CG-CE2 4.44Å; F192-F252 AromaticContact CG-CZ 3.74Å; F192-F252 HydrophobicContact CG-CZ 3.74Å; F192-F252 HydrophobicContact CZ-CE2 4.27Å; F192-F252 HydrophobicContact CZ-CZ 4.26Å; Y195-F252 AromaticContact CD1-CD1 3.45Å; Y195-F252 HydrophobicContact CD1-CD1 3.45Å; Y195-F252 VanDerWaalsContact CD1-CD1 3.45Å; Y195-F252 AromaticContact CD1-CE1 3.75Å; Y195-F252 HydrophobicContact CD1-CE1 3.75Å; Y195-F252 AromaticContact CE1-CD1 3.76Å; Y195-F252 HydrophobicContact CE1-CD1 3.76Å; Y195-F252 HydrophobicContact CE1-CE1 4.39Å; Y195-F252 HydrophobicContact CE1-CG 4.46Å; Y195-F252 HydrophobicContact CG-CD1 4.37Å; Y195-F252 HydrophobicContact CG-CE1 4.25Å; E247-F252 HydrophobicContact CB-CB 4.28Å; E247-F252 HydrophobicContact CB-CD1 4.38Å; E247-F252 HydrophobicContact CB-CD2 4.22Å; E247-F252 HydrophobicContact CB-CG 4.05Å; E247-F252 HydrophobicContact CG-CB 4.29Å; E247-F252 HydrophobicContact CG-CD1 4.24Å; E247-F252 HydrophobicContact CG-CD2 3.38Å; E247-F252 HydrophobicContact CG-CE1 4.4Å; E247-F252 HydrophobicContact CG-CE2 3.61Å; E247-F252 HydrophobicContact CG-CG 3.71Å; E247-F252 HydrophobicContact CG-CZ 4.11Å; Q249-F252 HydrophobicContact CB-CD2 3.83Å; Q249-F252 HydrophobicContact CB-CE2 4.13Å; Q249-F252 PolarHBondContact O-N 3.4Å; Q249-F252 VanDerWaalsContact O-N 3.15Å; P250-F252 VanDerWaalsContact C-N 3.26Å; P250-F252 PolarHBondContact O-N 3.1Å; F252-S254 WeakPolarHBondContact CB-OG 3.28Å; F252-S254 PolarHBondContact O-N 3.17Å; F252-K257 PolarHBondContact O-NZ 2.99Å
253	N	89.6	Confident	92.1	Very high	83 Å²	83	54.3 Å²	54.3	44%	0.444	28%	0.28	S	S	.	.			trans	53.4	34.1	-178.9	-165.5	28.4	0	0	0	113.2	P250 P256 K257	P250-N253 PolarHBondContact O-N 3.3Å; N253-P256 WeakPolarHBondContact O-CD 3.47Å; N253-P256 WeakPolarHBondContact OD1-CB 3.23Å; N253-P256 WeakPolarHBondContact OD1-CD 3.43Å; N253-P256 WeakPolarHBondContact OD1-CG 3.34Å; N253-K257 WeakPolarHBondContact O-CD 3.41Å; N253-K257 VanDerWaalsContact O-CG 3.25Å; N253-K257 WeakPolarHBondContact O-CG 3.43Å; N253-K257 PolarHBondContact O-N 3.29Å
254	S	91.4	Very high	92.1	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-43.2	-171.2	-53.5	0	0	0	0	113	Y195 E200 F252 K257 L258	Y195-S254 WeakPolarHBondContact CE1-OG 3.27Å; Y195-S254 PolarHBondContact OH-OG 2.89Å; E200-S254 WeakPolarHBondContact OE2-CA 3.36Å; E200-S254 WeakPolarHBondContact OE2-CB 3.19Å; E200-S254 PolarHBondContact OE2-OG 3.16Å; F252-S254 WeakPolarHBondContact CB-OG 3.28Å; F252-S254 PolarHBondContact O-N 3.17Å; S254-K257 PolarHBondContact O-N 2.92Å; S254-L258 PolarHBondContact O-N 3.22Å
255	I	93.8	Very high	92.2	Very high	30 Å²	30	50.7 Å²	50.7	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-48.8	-178.7	-57.1	169.4	0	0	0	110.7	A242 V243 L246 T248 K257 L258 M259	A242-I255 HydrophobicContact CB-CG1 4.24Å; A242-I255 HydrophobicContact CB-CG2 4.17Å; V243-I255 HydrophobicContact CB-CD1 4.43Å; V243-I255 HydrophobicContact CG2-CD1 3.84Å; L246-I255 HydrophobicContact CB-CG1 4.47Å; T248-I255 HydrophobicContact CG2-CD1 4.15Å; I255-K257 VanDerWaalsContact C-N 3.31Å; I255-K257 PolarHBondContact O-N 3.11Å; I255-L258 PolarHBondContact O-N 2.96Å; I255-M259 HydrophobicContact CG2-CG 4.17Å; I255-M259 WeakPolarHBondContact O-CB 3.32Å; I255-M259 WeakPolarHBondContact O-CG 3.42Å; I255-M259 PolarHBondContact O-N 3.29Å
256	P	94.3	Very high	92.2	Very high	72 Å²	72	50.7 Å²	50.7	47%	0.468	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-33.6	177.1	-28.3	41.2	0	0	0	113.7	N253 K260	N253-P256 WeakPolarHBondContact O-CD 3.47Å; N253-P256 WeakPolarHBondContact OD1-CB 3.23Å; N253-P256 WeakPolarHBondContact OD1-CD 3.43Å; N253-P256 WeakPolarHBondContact OD1-CG 3.34Å; P256-K260 WeakPolarHBondContact O-CB 3.34Å; P256-K260 PolarHBondContact O-N 3.34Å
257	K	94.4	Very high	92.2	Very high	74 Å²	74	50.7 Å²	50.7	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-47.9	173	-72.7	168.1	-177.3	165.5	0	111.7	E200 I204 F252 N253 S254 I255 K260 V261	E200-K257 WeakPolarHBondContact OE1-CD 3.47Å; E200-K257 IonicContact OE1-NZ 3.71Å; E200-K257 PolarHBondContact OE1-NZ 2.92Å; E200-K257 IonicContact OE2-NZ 2.74Å; E200-K257 PolarHBondContact OE2-NZ 3.41Å; I204-K257 HydrophobicContact CD1-CB 4.19Å; F252-K257 PolarHBondContact O-NZ 2.99Å; N253-K257 WeakPolarHBondContact O-CD 3.41Å; N253-K257 VanDerWaalsContact O-CG 3.25Å; N253-K257 WeakPolarHBondContact O-CG 3.43Å; N253-K257 PolarHBondContact O-N 3.29Å; S254-K257 PolarHBondContact O-N 2.92Å; I255-K257 VanDerWaalsContact C-N 3.31Å; I255-K257 PolarHBondContact O-N 3.11Å; K257-K260 WeakPolarHBondContact O-CB 3.5Å; K257-K260 PolarHBondContact O-N 2.86Å; K257-V261 PolarHBondContact O-N 3.24Å
258	L	96.1	Very high	92.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-48.6	176.3	176.8	72	0	0	0	111.1	Y203 I204 T207 E238 A242 L246 S254 I255 K260 V261 C262	Y203-L258 HydrophobicContact CD1-CD1 3.83Å; Y203-L258 HydrophobicContact CD1-CD2 4.21Å; Y203-L258 HydrophobicContact CE1-CD1 3.81Å; Y203-L258 HydrophobicContact CE1-CD2 3.56Å; Y203-L258 HydrophobicContact CE1-CG 4.32Å; I204-L258 HydrophobicContact CB-CD1 4.46Å; I204-L258 HydrophobicContact CG1-CB 4.28Å; I204-L258 HydrophobicContact CG1-CD1 3.87Å; T207-L258 HydrophobicContact CG2-CD1 4.02Å; E238-L258 HydrophobicContact CG-CD2 4.29Å; A242-L258 HydrophobicContact CB-CD2 3.44Å; A242-L258 VanDerWaalsContact CB-CD2 3.44Å; L246-L258 HydrophobicContact CD1-CB 3.98Å; L246-L258 HydrophobicContact CD1-CD2 3.83Å; L246-L258 HydrophobicContact CD1-CG 4.45Å; S254-L258 PolarHBondContact O-N 3.22Å; I255-L258 PolarHBondContact O-N 2.96Å; L258-K260 PolarHBondContact O-N 3.26Å; L258-V261 WeakPolarHBondContact O-CA 3.36Å; L258-V261 PolarHBondContact O-N 3.24Å; L258-C262 PolarHBondContact O-N 3.08Å; L258-C262 PolarHBondContact O-SG 3.36Å
259	M	95.6	Very high	92.5	Very high	22 Å²	22	52.2 Å²	52.2	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-34.7	-178.6	-69.7	-51	-66.7	0	0	111.4	L235 E239 I255 V261 C262 L263	L235-M259 HydrophobicContact CD2-CE 4.2Å; E239-M259 HydrophobicContact CB-CE 4.01Å; E239-M259 HydrophobicContact CB-SD 3.81Å; E239-M259 HydrophobicContact CG-CE 4.49Å; E239-M259 HydrophobicContact CG-SD 4.24Å; I255-M259 HydrophobicContact CG2-CG 4.17Å; I255-M259 WeakPolarHBondContact O-CB 3.32Å; I255-M259 WeakPolarHBondContact O-CG 3.42Å; I255-M259 PolarHBondContact O-N 3.29Å; M259-V261 VanDerWaalsContact C-N 3.34Å; M259-V261 PolarHBondContact O-N 3.01Å; M259-C262 PolarHBondContact O-N 2.87Å; M259-L263 WeakPolarHBondContact O-CB 3.48Å; M259-L263 WeakPolarHBondContact O-CG 3.5Å; M259-L263 PolarHBondContact O-N 3Å
260	K	94.9	Very high	92.8	Very high	160 Å²	160	48.8 Å²	48.8	70%	0.696	25%	0.252	S	S	*	.	H	α-helix	trans	-59.8	-42.9	171.6	-174.5	179.7	-179.9	-179.7	0	112.3	P256 K257 L258 K264	P256-K260 WeakPolarHBondContact O-CB 3.34Å; P256-K260 PolarHBondContact O-N 3.34Å; K257-K260 WeakPolarHBondContact O-CB 3.5Å; K257-K260 PolarHBondContact O-N 2.86Å; L258-K260 PolarHBondContact O-N 3.26Å; K260-K264 WeakPolarHBondContact O-CB 3.42Å; K260-K264 PolarHBondContact O-N 3.01Å
261	V	95.9	Very high	93.4	Very high	32 Å²	32	43.4 Å²	43.4	19%	0.194	22%	0.217	C	C	.	.	H	α-helix	trans	-69.4	-40.7	177	175.2	0	0	0	0	111.4	I204 E208 K257 L258 M259 K264 T265	I204-V261 HydrophobicContact CG2-CB 4.03Å; I204-V261 HydrophobicContact CG2-CG1 4Å; I204-V261 HydrophobicContact CG2-CG2 3.68Å; E208-V261 HydrophobicContact CB-CG1 3.9Å; E208-V261 HydrophobicContact CG-CG1 4.28Å; K257-V261 PolarHBondContact O-N 3.24Å; L258-V261 WeakPolarHBondContact O-CA 3.36Å; L258-V261 PolarHBondContact O-N 3.24Å; M259-V261 VanDerWaalsContact C-N 3.34Å; M259-V261 PolarHBondContact O-N 3.01Å; V261-K264 PolarHBondContact O-N 3.17Å; V261-T265 WeakPolarHBondContact O-CB 3.48Å; V261-T265 PolarHBondContact O-N 3.45Å; V261-T265 PolarHBondContact O-OG1 3.44Å
262	C	96.1	Very high	94	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175.3	-63.4	0	0	0	0	110.9	L235 L258 M259 K264 T265 F266	L235-C262 HydrophobicContact CD2-CB 3.72Å; L258-C262 PolarHBondContact O-N 3.08Å; L258-C262 PolarHBondContact O-SG 3.36Å; M259-C262 PolarHBondContact O-N 2.87Å; C262-K264 VanDerWaalsContact C-N 3.29Å; C262-K264 PolarHBondContact O-N 3.32Å; C262-T265 PolarHBondContact O-N 3.36Å; C262-T265 VanDerWaalsContact O-N 3.14Å; C262-F266 HydrophobicContact CB-CD2 4.34Å; C262-F266 WeakPolarHBondContact O-CB 3.49Å; C262-F266 VanDerWaalsContact O-CD2 3.29Å; C262-F266 WeakPolarHBondContact O-CD2 3.46Å; C262-F266 PolarHBondContact O-N 3.14Å
263	L	95.3	Very high	94.4	Very high	33 Å²	33	46.8 Å²	46.8	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-38.7	176.7	-71.9	173.6	0	0	0	112.2	L235 M259 V267 V268 R299	L235-L263 HydrophobicContact CD1-CD2 4Å; L235-L263 HydrophobicContact CD2-CD2 4.17Å; M259-L263 WeakPolarHBondContact O-CB 3.48Å; M259-L263 WeakPolarHBondContact O-CG 3.5Å; M259-L263 PolarHBondContact O-N 3Å; L263-V267 HydrophobicContact CD2-CG2 4.1Å; L263-V267 WeakPolarHBondContact O-CA 3.19Å; L263-V267 VanDerWaalsContact O-CB 3.26Å; L263-V267 WeakPolarHBondContact O-CB 3.26Å; L263-V267 PolarHBondContact O-N 3.28Å; L263-V268 PolarHBondContact O-N 3.39Å; L263-V268 VanDerWaalsContact O-N 3.08Å; L263-R299 HydrophobicContact CD1-CB 4.36Å; L263-R299 HydrophobicContact CD2-CB 3.68Å; L263-R299 HydrophobicContact CD2-CG 4.35Å
264	K	95.2	Very high	94.7	Very high	103 Å²	103	42.9 Å²	42.9	45%	0.448	22%	0.215	S	C	.	.	I	π-helix	trans	-58.8	-53.2	172.1	-175.4	-172.6	172.6	-166.3	0	111	K260 V261 C262 V268 D269	K260-K264 WeakPolarHBondContact O-CB 3.42Å; K260-K264 PolarHBondContact O-N 3.01Å; V261-K264 PolarHBondContact O-N 3.17Å; C262-K264 VanDerWaalsContact C-N 3.29Å; C262-K264 PolarHBondContact O-N 3.32Å; K264-V268 HydrophobicContact CG-CB 4.31Å; K264-V268 PolarHBondContact O-N 3.15Å; K264-D269 PolarHBondContact O-N 2.78Å
265	T	94.9	Very high	94.8	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	22%	0.216	C	C	.	.	I	π-helix	trans	-68	-39.6	-173.9	-48.4	0	0	0	0	112.7	R212 I215 V261 C262 Y270	R212-T265 HydrophobicContact CB-CG2 4.33Å; I215-T265 HydrophobicContact CD1-CG2 4.09Å; V261-T265 WeakPolarHBondContact O-CB 3.48Å; V261-T265 PolarHBondContact O-N 3.45Å; V261-T265 PolarHBondContact O-OG1 3.44Å; C262-T265 PolarHBondContact O-N 3.36Å; C262-T265 VanDerWaalsContact O-N 3.14Å; T265-Y270 WeakPolarHBondContact O-CD2 3.47Å; T265-Y270 VanDerWaalsContact O-CE2 3.23Å; T265-Y270 WeakPolarHBondContact O-CE2 3.36Å
266	F	95.2	Very high	94.9	Very high	1 Å²	1	45 Å²	45	0%	0.004	23%	0.232	C	C	.	.	I	π-helix	trans	-86.8	-34.4	-178	-80.5	-92.2	0	0	0	113.1	Y211 I215 Y227 Y230 A231 K234 L235 C262	Y211-F266 HydrophobicContact CD1-CE1 4.28Å; Y211-F266 AromaticContact CD1-CE2 3.97Å; Y211-F266 HydrophobicContact CD1-CE2 3.97Å; Y211-F266 AromaticContact CD1-CZ 3.36Å; Y211-F266 HydrophobicContact CD1-CZ 3.36Å; Y211-F266 AromaticContact CD2-CE2 3.55Å; Y211-F266 HydrophobicContact CD2-CE2 3.55Å; Y211-F266 AromaticContact CD2-CZ 3.81Å; Y211-F266 HydrophobicContact CD2-CZ 3.81Å; Y211-F266 HydrophobicContact CE1-CE2 4.4Å; Y211-F266 AromaticContact CE1-CZ 3.68Å; Y211-F266 HydrophobicContact CE1-CZ 3.68Å; Y211-F266 HydrophobicContact CE2-CE2 4.02Å; Y211-F266 HydrophobicContact CE2-CZ 4.09Å; Y211-F266 AromaticContact CG-CE2 3.53Å; Y211-F266 HydrophobicContact CG-CE2 3.53Å; Y211-F266 AromaticContact CG-CZ 3.43Å; Y211-F266 HydrophobicContact CG-CZ 3.43Å; Y211-F266 VanDerWaalsContact CG-CZ 3.43Å; I215-F266 HydrophobicContact CD1-CD1 3.68Å; I215-F266 HydrophobicContact CD1-CD2 4.17Å; I215-F266 HydrophobicContact CD1-CE1 3.87Å; I215-F266 HydrophobicContact CD1-CE2 4.34Å; I215-F266 HydrophobicContact CD1-CG 3.87Å; I215-F266 HydrophobicContact CD1-CZ 4.22Å; I215-F266 HydrophobicContact CG1-CD1 4.17Å; I215-F266 HydrophobicContact CG1-CE1 4.07Å; Y227-F266 VanDerWaalsContact OH-C 3.27Å; Y227-F266 VanDerWaalsContact OH-CA 3.27Å; Y227-F266 WeakPolarHBondContact OH-CA 3.28Å; Y227-F266 PolarHBondContact OH-O 2.92Å; Y230-F266 HydrophobicContact CE1-CE1 4.37Å; A231-F266 HydrophobicContact CB-CD1 3.92Å; K234-F266 HydrophobicContact CB-CE1 3.62Å; K234-F266 HydrophobicContact CB-CZ 3.66Å; K234-F266 HydrophobicContact CG-CE1 4.38Å; L235-F266 HydrophobicContact CD1-CB 4.38Å; L235-F266 HydrophobicContact CD2-CB 4.3Å; L235-F266 HydrophobicContact CD2-CD2 4.02Å; L235-F266 HydrophobicContact CD2-CG 4.25Å; L235-F266 HydrophobicContact CG-CB 4.36Å; L235-F266 HydrophobicContact CG-CD2 4.44Å; L235-F266 HydrophobicContact CG-CG 4.28Å; C262-F266 HydrophobicContact CB-CD2 4.34Å; C262-F266 WeakPolarHBondContact O-CB 3.49Å; C262-F266 VanDerWaalsContact O-CD2 3.29Å; C262-F266 WeakPolarHBondContact O-CD2 3.46Å; C262-F266 PolarHBondContact O-N 3.14Å
267	V	94.5	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-115.9	-55.6	-167.4	-164.4	0	0	0	0	111.2	L235 L263 Y270 M271 I274 L296 V300	L235-V267 HydrophobicContact CD1-CG2 4.14Å; L263-V267 HydrophobicContact CD2-CG2 4.1Å; L263-V267 WeakPolarHBondContact O-CA 3.19Å; L263-V267 VanDerWaalsContact O-CB 3.26Å; L263-V267 WeakPolarHBondContact O-CB 3.26Å; L263-V267 PolarHBondContact O-N 3.28Å; V267-Y270 CarbonylContact O-C 3.57Å; V267-Y270 PolarHBondContact O-N 3.45Å; V267-M271 HydrophobicContact CG1-CE 3.57Å; V267-M271 WeakPolarHBondContact O-CA 3.45Å; V267-M271 WeakPolarHBondContact O-CB 3.25Å; V267-M271 PolarHBondContact O-N 2.93Å; V267-I274 HydrophobicContact CG1-CD1 4.44Å; V267-L296 HydrophobicContact CG1-CB 4.38Å; V267-L296 HydrophobicContact CG2-CD2 4.09Å; V267-V300 HydrophobicContact CB-CG2 4.17Å; V267-V300 HydrophobicContact CG1-CG2 4.02Å
268	V	94.8	Very high	94.9	Very high	64 Å²	64	39.3 Å²	39.3	39%	0.388	20%	0.2	S	C	.	.	I	π-helix	trans	-64.2	-48.1	-174.2	-178.5	0	0	0	0	111.5	L263 K264 Y270 M271 V300	L263-V268 PolarHBondContact O-N 3.39Å; L263-V268 VanDerWaalsContact O-N 3.08Å; K264-V268 HydrophobicContact CG-CB 4.31Å; K264-V268 PolarHBondContact O-N 3.15Å; V268-Y270 PolarHBondContact O-N 3.24Å; V268-Y270 VanDerWaalsContact O-N 3.16Å; V268-M271 WeakPolarHBondContact O-CB 3.32Å; V268-M271 PolarHBondContact O-N 2.86Å; V268-V300 HydrophobicContact CG2-CG1 4.13Å; V268-V300 HydrophobicContact CG2-CG2 4.06Å
269	D	94.1	Very high	94.9	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-23	-177.6	-69.5	-3.6	0	0	0	112.1	R212 K264	R212-D269 IonicContact NH2-OD2 3.85Å; K264-D269 PolarHBondContact O-N 2.78Å
270	Y	94	Very high	94.9	Very high	21 Å²	21	48.3 Å²	48.3	8%	0.082	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	11.3	179.8	-61.6	-85.3	0	0	0	113.5	I215 D216 I219 Y227 T265 V267 V268 D272 H273 I274	I215-Y270 HydrophobicContact CB-CE2 4.17Å; I215-Y270 HydrophobicContact CD1-CE2 4.37Å; I215-Y270 HydrophobicContact CG2-CD1 4.48Å; I215-Y270 HydrophobicContact CG2-CD2 3.96Å; I215-Y270 HydrophobicContact CG2-CE1 3.93Å; I215-Y270 HydrophobicContact CG2-CE2 3.35Å; I215-Y270 HydrophobicContact CG2-CG 4.48Å; I215-Y270 WeakPolarHBondContact CG2-OH 3.19Å; D216-Y270 VanDerWaalsContact CG-OH 3.31Å; D216-Y270 PolarHBondContact OD1-OH 3.37Å; I219-Y270 HydrophobicContact CD1-CD1 3.37Å; I219-Y270 HydrophobicContact CD1-CE1 3.46Å; I219-Y270 VanDerWaalsContact CD1-CE1 3.46Å; I219-Y270 HydrophobicContact CD1-CG 4.05Å; Y227-Y270 HydrophobicContact CE1-CG 4.48Å; T265-Y270 WeakPolarHBondContact O-CD2 3.47Å; T265-Y270 VanDerWaalsContact O-CE2 3.23Å; T265-Y270 WeakPolarHBondContact O-CE2 3.36Å; V267-Y270 CarbonylContact O-C 3.57Å; V267-Y270 PolarHBondContact O-N 3.45Å; V268-Y270 PolarHBondContact O-N 3.24Å; V268-Y270 VanDerWaalsContact O-N 3.16Å; Y270-D272 VanDerWaalsContact C-N 3.31Å; Y270-D272 PolarHBondContact O-N 3.22Å; Y270-H273 PolarHBondContact O-N 2.97Å; Y270-H273 VanDerWaalsContact O-N 3.1Å; Y270-I274 WeakPolarHBondContact O-CG1 3.36Å; Y270-I274 PolarHBondContact O-N 3.31Å
271	M	94.4	Very high	94.9	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-43.8	-172.5	-174.5	59.2	74	0	0	111.5	V267 V268 H273 I274 L275 V297 V300 E303	V267-M271 HydrophobicContact CG1-CE 3.57Å; V267-M271 WeakPolarHBondContact O-CA 3.45Å; V267-M271 WeakPolarHBondContact O-CB 3.25Å; V267-M271 PolarHBondContact O-N 2.93Å; V268-M271 WeakPolarHBondContact O-CB 3.32Å; V268-M271 PolarHBondContact O-N 2.86Å; M271-H273 VanDerWaalsContact C-N 3.32Å; M271-H273 PolarHBondContact O-N 3.34Å; M271-I274 PolarHBondContact O-N 3.33Å; M271-L275 HydrophobicContact CG-CD1 3.85Å; M271-L275 HydrophobicContact CG-CG 4.24Å; M271-L275 WeakPolarHBondContact O-CB 3.31Å; M271-L275 WeakPolarHBondContact O-CG 3.34Å; M271-L275 PolarHBondContact O-N 2.8Å; M271-L275 HydrophobicContact SD-CD1 4.05Å; M271-L275 HydrophobicContact SD-CD2 4.44Å; M271-L275 HydrophobicContact SD-CG 4Å; M271-V297 HydrophobicContact CE-CG2 4.39Å; M271-V297 HydrophobicContact SD-CG2 3.9Å; M271-V300 HydrophobicContact CE-CB 4.25Å; M271-V300 HydrophobicContact CE-CG2 4.36Å; M271-E303 HydrophobicContact CE-CB 3.61Å; M271-E303 HydrophobicContact CE-CG 3.75Å; M271-E303 HydrophobicContact CG-CB 4.28Å; M271-E303 HydrophobicContact CG-CG 4.11Å; M271-E303 HydrophobicContact SD-CB 4.05Å; M271-E303 HydrophobicContact SD-CG 4.41Å
272	D	94.8	Very high	94.9	Very high	98 Å²	98	39.1 Å²	39.1	52%	0.524	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-37.6	179.5	-68	-32.3	0	0	0	112.2	Y270 S276 R306	Y270-D272 VanDerWaalsContact C-N 3.31Å; Y270-D272 PolarHBondContact O-N 3.22Å; D272-S276 VanDerWaalsContact O-CB 3.23Å; D272-S276 WeakPolarHBondContact O-CB 3.24Å; D272-S276 PolarHBondContact O-N 2.96Å; D272-S276 PolarHBondContact O-OG 3.04Å; D272-R306 IonicContact OD1-CZ 3.59Å; D272-R306 VanDerWaalsContact OD1-CZ 3.3Å; D272-R306 IonicContact OD1-NH1 3.83Å; D272-R306 PolarHBondContact OD1-NH1 3.48Å; D272-R306 IonicContact OD1-NH2 2.73Å; D272-R306 PolarHBondContact OD1-NH2 3.46Å
273	H	93.7	Very high	94.8	Very high	110 Å²	110	45.5 Å²	45.5	51%	0.509	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-43.9	175.2	-68.8	-69.1	0	0	0	111.6	I224 Y270 M271 S276	I224-H273 HydrophobicContact CD1-CB 3.84Å; I224-H273 HydrophobicContact CG1-CB 4.32Å; Y270-H273 PolarHBondContact O-N 2.97Å; Y270-H273 VanDerWaalsContact O-N 3.1Å; M271-H273 VanDerWaalsContact C-N 3.32Å; M271-H273 PolarHBondContact O-N 3.34Å; H273-S276 PolarHBondContact O-N 3.44Å; H273-S276 PolarHBondContact O-OG 2.91Å
274	I	95	Very high	94.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-52.1	176.5	-65	168.1	0	0	0	110	I224 Y227 M228 V267 Y270 M271 S276 E277 C293 V297	I224-I274 HydrophobicContact CD1-CG1 4.1Å; I224-I274 HydrophobicContact CG1-CG1 4.38Å; Y227-I274 HydrophobicContact CE1-CD1 4.43Å; M228-I274 HydrophobicContact SD-CG2 4.12Å; V267-I274 HydrophobicContact CG1-CD1 4.44Å; Y270-I274 WeakPolarHBondContact O-CG1 3.36Å; Y270-I274 PolarHBondContact O-N 3.31Å; M271-I274 PolarHBondContact O-N 3.33Å; I274-S276 VanDerWaalsContact C-N 3.29Å; I274-S276 PolarHBondContact O-N 3.34Å; I274-E277 PolarHBondContact O-N 3.02Å; I274-C293 VanDerWaalsContact CG2-SG 3.58Å; I274-V297 HydrophobicContact CG2-CG2 4.44Å
275	L	95	Very high	94.6	Very high	8 Å²	8	48 Å²	48	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-28.4	-178.2	-66.6	-179.7	0	0	0	112.9	M271 E277 V278 P279 V297 R306 L307 L310	M271-L275 HydrophobicContact CG-CD1 3.85Å; M271-L275 HydrophobicContact CG-CG 4.24Å; M271-L275 WeakPolarHBondContact O-CB 3.31Å; M271-L275 WeakPolarHBondContact O-CG 3.34Å; M271-L275 PolarHBondContact O-N 2.8Å; M271-L275 HydrophobicContact SD-CD1 4.05Å; M271-L275 HydrophobicContact SD-CD2 4.44Å; M271-L275 HydrophobicContact SD-CG 4Å; L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.06Å; L275-V278 HydrophobicContact CD2-CG2 4.39Å; L275-V278 WeakPolarHBondContact O-CB 3.5Å; L275-V278 PolarHBondContact O-N 3.36Å; L275-P279 WeakPolarHBondContact O-CD 3.36Å; L275-V297 HydrophobicContact CD2-CG2 4.25Å; L275-R306 HydrophobicContact CD1-CB 3.78Å; L275-L307 HydrophobicContact CD2-CB 4.21Å; L275-L307 HydrophobicContact CD2-CD1 4.27Å; L275-L310 HydrophobicContact CB-CD1 4.08Å; L275-L310 HydrophobicContact CD2-CD1 4.18Å
276	S	94.2	Very high	94.6	Very high	68 Å²	68	50.1 Å²	50.1	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-25.7	177.9	74.3	0	0	0	0	114	D272 H273 I274	D272-S276 VanDerWaalsContact O-CB 3.23Å; D272-S276 WeakPolarHBondContact O-CB 3.24Å; D272-S276 PolarHBondContact O-N 2.96Å; D272-S276 PolarHBondContact O-OG 3.04Å; H273-S276 PolarHBondContact O-N 3.44Å; H273-S276 PolarHBondContact O-OG 2.91Å; I274-S276 VanDerWaalsContact C-N 3.29Å; I274-S276 PolarHBondContact O-N 3.34Å
277	E	94.1	Very high	94.6	Very high	24 Å²	24	51.8 Å²	51.8	11%	0.112	26%	0.262	C	S	.	.	H	α-helix	trans	-85.4	-20.7	176	-79.4	-61.5	121.7	0	0	113.4	I224 R225 I274 L275 R280 L281	I224-E277 HydrophobicContact CG2-CB 4.31Å; I224-E277 HydrophobicContact CG2-CG 3.26Å; R225-E277 IonicContact NE-OE2 3.53Å; R225-E277 IonicContact NH2-OE2 3.05Å; I274-E277 PolarHBondContact O-N 3.02Å; L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.06Å; E277-R280 WeakPolarHBondContact O-CB 3.25Å; E277-R280 PolarHBondContact O-N 2.96Å; E277-R280 IonicContact OE1-CZ 3.81Å; E277-R280 IonicContact OE1-NH1 2.72Å; E277-R280 PolarHBondContact OE1-NH1 3.16Å; E277-L281 HydrophobicContact CB-CD1 4.48Å; E277-L281 WeakPolarHBondContact O-CG 3.37Å; E277-L281 PolarHBondContact O-N 2.9Å
278	V	95.7	Very high	94.6	Very high	1 Å²	1	56 Å²	56	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-53.1	-45.2	-176.9	170.9	0	0	0	0	112.6	L275 R280 L281 L282 L290 C293 L307 L310	L275-V278 HydrophobicContact CD2-CG2 4.39Å; L275-V278 WeakPolarHBondContact O-CB 3.5Å; L275-V278 PolarHBondContact O-N 3.36Å; V278-R280 VanDerWaalsContact C-N 3.27Å; V278-R280 PolarHBondContact O-N 3.49Å; V278-L281 PolarHBondContact O-N 3.28Å; V278-L282 HydrophobicContact CG1-CD1 3.64Å; V278-L282 HydrophobicContact CG1-CG 4.02Å; V278-L282 WeakPolarHBondContact O-CB 3.35Å; V278-L282 VanDerWaalsContact O-CG 3.26Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 3.28Å; V278-L290 HydrophobicContact CG1-CD2 4.31Å; V278-C293 VanDerWaalsContact CG2-SG 3.56Å; V278-L307 HydrophobicContact CB-CD1 4.42Å; V278-L307 HydrophobicContact CG1-CD1 3.75Å; V278-L307 HydrophobicContact CG2-CD1 3.89Å; V278-L310 HydrophobicContact CB-CD1 4.06Å; V278-L310 HydrophobicContact CG1-CB 4.16Å; V278-L310 HydrophobicContact CG1-CD1 4.15Å
279	P	95.4	Very high	94.6	Very high	63 Å²	63	54.6 Å²	54.6	41%	0.409	27%	0.273	S	S	.	.	H	α-helix	trans	-57.2	-37.4	176.1	-27.2	35.9	0	0	0	114	L275 H283 L310	L275-P279 WeakPolarHBondContact O-CD 3.36Å; P279-H283 WeakPolarHBondContact O-CB 3.35Å; P279-H283 PolarHBondContact O-N 3.28Å; P279-H283 VanDerWaalsContact O-N 3.13Å; P279-L310 HydrophobicContact CG-CD2 4.26Å
280	R	95.3	Very high	94.7	Very high	148 Å²	148	51.2 Å²	51.2	56%	0.558	26%	0.255	S	S	*	.	H	α-helix	trans	-70.5	-46	177.5	-66.3	176.7	176.7	164.8	-4	110.7	E277 V278 L282 H283 E284	E277-R280 WeakPolarHBondContact O-CB 3.25Å; E277-R280 PolarHBondContact O-N 2.96Å; E277-R280 IonicContact OE1-CZ 3.81Å; E277-R280 IonicContact OE1-NH1 2.72Å; E277-R280 PolarHBondContact OE1-NH1 3.16Å; V278-R280 VanDerWaalsContact C-N 3.27Å; V278-R280 PolarHBondContact O-N 3.49Å; R280-L282 VanDerWaalsContact C-N 3.31Å; R280-L282 PolarHBondContact O-N 2.95Å; R280-H283 WeakPolarHBondContact O-CB 3.45Å; R280-H283 PolarHBondContact O-N 3.33Å; R280-H283 VanDerWaalsContact O-N 3.11Å; R280-E284 WeakPolarHBondContact O-CG 3.3Å; R280-E284 PolarHBondContact O-N 3.25Å
281	L	95.5	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-40.6	177.1	-64.6	176.5	0	0	0	112.2	R225 M228 E277 V278 H283 E284 E285 D286 Q289 L290	R225-L281 HydrophobicContact CG-CD2 4.45Å; R225-L281 VanDerWaalsContact CZ-CD2 3.49Å; M228-L281 HydrophobicContact CE-CD1 4.02Å; E277-L281 HydrophobicContact CB-CD1 4.48Å; E277-L281 WeakPolarHBondContact O-CG 3.37Å; E277-L281 PolarHBondContact O-N 2.9Å; V278-L281 PolarHBondContact O-N 3.28Å; L281-H283 VanDerWaalsContact C-N 3.33Å; L281-E284 PolarHBondContact O-N 3.28Å; L281-E285 PolarHBondContact O-N 2.79Å; L281-D286 HydrophobicContact CD2-CB 4.34Å; L281-D286 PolarHBondContact O-N 3.42Å; L281-D286 VanDerWaalsContact O-N 3.14Å; L281-Q289 HydrophobicContact CD1-CB 4Å; L281-Q289 HydrophobicContact CD2-CB 3.68Å; L281-Q289 HydrophobicContact CD2-CG 4.22Å; L281-Q289 HydrophobicContact CG-CB 4.42Å; L281-L290 HydrophobicContact CB-CD2 3.67Å; L281-L290 HydrophobicContact CB-CG 3.92Å; L281-L290 HydrophobicContact CD1-CD2 4.36Å
282	L	95.6	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-40.5	174.6	-72.9	170.8	0	0	0	111.6	V278 R280 E285 L290 L311 Y314 M351 F356	V278-L282 HydrophobicContact CG1-CD1 3.64Å; V278-L282 HydrophobicContact CG1-CG 4.02Å; V278-L282 WeakPolarHBondContact O-CB 3.35Å; V278-L282 VanDerWaalsContact O-CG 3.26Å; V278-L282 WeakPolarHBondContact O-CG 3.5Å; V278-L282 PolarHBondContact O-N 3.28Å; R280-L282 VanDerWaalsContact C-N 3.31Å; R280-L282 PolarHBondContact O-N 2.95Å; L282-E285 PolarHBondContact O-N 3.21Å; L282-L290 HydrophobicContact CD2-CD1 3.8Å; L282-L290 HydrophobicContact CD2-CD2 3.96Å; L282-L290 HydrophobicContact CG-CD1 4.44Å; L282-L290 HydrophobicContact CG-CD2 4.01Å; L282-L311 HydrophobicContact CD2-CD1 3.84Å; L282-Y314 HydrophobicContact CB-CD1 3.83Å; L282-Y314 HydrophobicContact CB-CD2 3.82Å; L282-Y314 HydrophobicContact CB-CE1 4Å; L282-Y314 HydrophobicContact CB-CE2 4.01Å; L282-Y314 HydrophobicContact CB-CG 3.73Å; L282-Y314 HydrophobicContact CD1-CD1 4.22Å; L282-Y314 HydrophobicContact CD1-CG 3.92Å; L282-Y314 HydrophobicContact CD2-CD1 4.19Å; L282-Y314 HydrophobicContact CG-CD1 4.31Å; L282-Y314 HydrophobicContact CG-CG 4.31Å; L282-Y314 PolarHBondContact O-OH 3.09Å; L282-M351 HydrophobicContact CD2-SD 3.79Å; L282-F356 HydrophobicContact CD2-CZ 4.45Å
283	H	94.1	Very high	95	Very high	136 Å²	136	51 Å²	51	63%	0.63	25%	0.249	S	C	*	.	H	α-helix	trans	-68.5	-39.2	178.3	-167.1	58.3	0	0	0	112.9	P279 R280 L281 E285 Y314	P279-H283 WeakPolarHBondContact O-CB 3.35Å; P279-H283 PolarHBondContact O-N 3.28Å; P279-H283 VanDerWaalsContact O-N 3.13Å; R280-H283 WeakPolarHBondContact O-CB 3.45Å; R280-H283 PolarHBondContact O-N 3.33Å; R280-H283 VanDerWaalsContact O-N 3.11Å; L281-H283 VanDerWaalsContact C-N 3.33Å; H283-E285 PolarHBondContact O-N 3.4Å; H283-Y314 HydrophobicContact CB-CE2 4.42Å
284	E	94.4	Very high	95.1	Very high	105 Å²	105	46.6 Å²	46.6	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-74.8	-11.9	175.7	-69.3	169.7	-155.6	0	0	113	R225 R280 L281 D286	R225-E284 IonicContact CZ-OE1 3.77Å; R225-E284 IonicContact CZ-OE2 3.41Å; R225-E284 VanDerWaalsContact CZ-OE2 3.31Å; R225-E284 IonicContact NH1-OE1 2.73Å; R225-E284 IonicContact NH1-OE2 2.9Å; R225-E284 PolarHBondContact NH1-OE2 3.42Å; R225-E284 VanDerWaalsContact NH2-CD 3.31Å; R225-E284 IonicContact NH2-OE1 3.7Å; R225-E284 PolarHBondContact NH2-OE1 3.29Å; R225-E284 IonicContact NH2-OE2 3.99Å; R225-E284 PolarHBondContact NH2-OE2 2.94Å; R280-E284 WeakPolarHBondContact O-CG 3.3Å; R280-E284 PolarHBondContact O-N 3.25Å; L281-E284 PolarHBondContact O-N 3.28Å; E284-D286 PolarHBondContact O-N 3.09Å
285	E	92.6	Very high	95.1	Very high	83 Å²	83	49.8 Å²	49.8	39%	0.388	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	33	-172.7	-50.5	-162.8	140.7	0	0	113.8	L281 L282 H283 T287 R347 M351	L281-E285 PolarHBondContact O-N 2.79Å; L282-E285 PolarHBondContact O-N 3.21Å; H283-E285 PolarHBondContact O-N 3.4Å; E285-T287 VanDerWaalsContact C-N 3.31Å; E285-T287 PolarHBondContact O-N 3.34Å; E285-R347 IonicContact OE1-CZ 2.8Å; E285-R347 IonicContact OE1-NE 3.68Å; E285-R347 PolarHBondContact OE1-NE 3.15Å; E285-R347 IonicContact OE1-NH2 3.75Å; E285-R347 PolarHBondContact OE1-NH2 2.89Å; E285-M351 HydrophobicContact CB-CE 4.44Å; E285-M351 HydrophobicContact CG-CE 4Å
286	D	95	Very high	95.1	Very high	47 Å²	47	49.4 Å²	49.4	25%	0.251	24%	0.241	S	C	.	.			trans	-77.2	82.8	177.5	-169.8	-18.5	0	0	0	110.6	L281 E284 N288 Q289 L290	L281-D286 HydrophobicContact CD2-CB 4.34Å; L281-D286 PolarHBondContact O-N 3.42Å; L281-D286 VanDerWaalsContact O-N 3.14Å; E284-D286 PolarHBondContact O-N 3.09Å; D286-N288 PolarHBondContact O-N 3.17Å; D286-N288 PolarHBondContact OD1-N 3.1Å; D286-Q289 HydrophobicContact CB-CB 4.31Å; D286-Q289 VanDerWaalsContact CG-CG 3.5Å; D286-Q289 PolarHBondContact O-N 2.89Å; D286-Q289 PolarHBondContact OD1-N 3.21Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.38Å; D286-L290 VanDerWaalsContact O-CG 3.3Å; D286-L290 WeakPolarHBondContact O-CG 3.02Å; D286-L290 PolarHBondContact O-N 3.36Å
287	T	94.2	Very high	95.1	Very high	36 Å²	36	46.2 Å²	46.2	22%	0.221	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-27.6	-178.5	55.1	0	0	0	0	112.9	E285 R291 D354 A355	E285-T287 VanDerWaalsContact C-N 3.31Å; E285-T287 PolarHBondContact O-N 3.34Å; T287-R291 WeakPolarHBondContact O-CB 3.18Å; T287-R291 PolarHBondContact O-N 3.5Å; T287-D354 HydrophobicContact CG2-CB 3.88Å; T287-A355 HydrophobicContact CG2-CB 4.39Å
288	N	95.2	Very high	95.1	Very high	88 Å²	88	48.5 Å²	48.5	47%	0.471	23%	0.231	S	C	.	.	H	α-helix	trans	-69.7	-48.7	178.1	-70.4	-48.5	0	0	0	111	D286 R291 L292	D286-N288 PolarHBondContact O-N 3.17Å; D286-N288 PolarHBondContact OD1-N 3.1Å; N288-R291 PolarHBondContact O-N 3Å; N288-R291 PolarHBondContact OD1-NH2 3.46Å; N288-R291 VanDerWaalsContact OD1-NH2 3.17Å; N288-L292 WeakPolarHBondContact O-CG 3.37Å; N288-L292 PolarHBondContact O-N 2.66Å; N288-L292 VanDerWaalsContact O-N 3.16Å
289	Q	95	Very high	94.9	Very high	34 Å²	34	53.2 Å²	53.2	16%	0.159	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-38.2	177.3	-70	-64.4	-34.3	0	0	112	R225 L281 D286 R291 L292 C293	R225-Q289 PolarHBondContact O-OE1 2.95Å; L281-Q289 HydrophobicContact CD1-CB 4Å; L281-Q289 HydrophobicContact CD2-CB 3.68Å; L281-Q289 HydrophobicContact CD2-CG 4.22Å; L281-Q289 HydrophobicContact CG-CB 4.42Å; D286-Q289 HydrophobicContact CB-CB 4.31Å; D286-Q289 VanDerWaalsContact CG-CG 3.5Å; D286-Q289 PolarHBondContact O-N 2.89Å; D286-Q289 PolarHBondContact OD1-N 3.21Å; D286-Q289 WeakPolarHBondContact OD2-CG 3.38Å; Q289-R291 VanDerWaalsContact C-N 3.29Å; Q289-R291 PolarHBondContact O-N 2.88Å; Q289-L292 PolarHBondContact O-N 2.99Å; Q289-C293 PolarHBondContact O-N 2.91Å
290	L	96.4	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-36.7	174	-70.4	167	0	0	0	112.1	V278 L281 L282 D286 C293 Y294 A355 F356	V278-L290 HydrophobicContact CG1-CD2 4.31Å; L281-L290 HydrophobicContact CB-CD2 3.67Å; L281-L290 HydrophobicContact CB-CG 3.92Å; L281-L290 HydrophobicContact CD1-CD2 4.36Å; L282-L290 HydrophobicContact CD2-CD1 3.8Å; L282-L290 HydrophobicContact CD2-CD2 3.96Å; L282-L290 HydrophobicContact CG-CD1 4.44Å; L282-L290 HydrophobicContact CG-CD2 4.01Å; D286-L290 VanDerWaalsContact O-CG 3.3Å; D286-L290 WeakPolarHBondContact O-CG 3.02Å; D286-L290 PolarHBondContact O-N 3.36Å; L290-C293 WeakPolarHBondContact O-CB 3.26Å; L290-C293 PolarHBondContact O-N 3.3Å; L290-Y294 WeakPolarHBondContact O-CB 3.3Å; L290-Y294 PolarHBondContact O-N 3.27Å; L290-A355 HydrophobicContact CB-CB 3.63Å; L290-A355 HydrophobicContact CD1-CB 4.17Å; L290-F356 HydrophobicContact CB-CZ 4.44Å; L290-F356 HydrophobicContact CD2-CZ 4.38Å
291	R	96.5	Very high	94.4	Very high	89 Å²	89	48.8 Å²	48.8	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-42.8	174.3	-174.1	173.6	63.2	-140.1	-9.3	112.2	T287 N288 Q289 C293 Y294 E295 A355	T287-R291 WeakPolarHBondContact O-CB 3.18Å; T287-R291 PolarHBondContact O-N 3.5Å; N288-R291 PolarHBondContact O-N 3Å; N288-R291 PolarHBondContact OD1-NH2 3.46Å; N288-R291 VanDerWaalsContact OD1-NH2 3.17Å; Q289-R291 VanDerWaalsContact C-N 3.29Å; Q289-R291 PolarHBondContact O-N 2.88Å; R291-C293 VanDerWaalsContact C-N 3.34Å; R291-C293 PolarHBondContact O-N 2.71Å; R291-Y294 PolarHBondContact O-N 3.37Å; R291-E295 WeakPolarHBondContact O-CG 3.49Å; R291-E295 PolarHBondContact O-N 3.04Å; R291-A355 VanDerWaalsContact CA-O 3.24Å; R291-A355 WeakPolarHBondContact CA-O 3.22Å
292	L	95.9	Very high	94	Very high	30 Å²	30	56.6 Å²	56.6	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-42.7	174.7	-60.6	172.4	0	0	0	111.4	M228 Q229 L232 N288 Q289 E295 L296	M228-L292 HydrophobicContact CB-CB 4.14Å; Q229-L292 HydrophobicContact CB-CD1 4.04Å; L232-L292 HydrophobicContact CD1-CB 4.01Å; L232-L292 HydrophobicContact CD1-CD2 3.51Å; L232-L292 HydrophobicContact CD1-CG 4.35Å; N288-L292 WeakPolarHBondContact O-CG 3.37Å; N288-L292 PolarHBondContact O-N 2.66Å; N288-L292 VanDerWaalsContact O-N 3.16Å; Q289-L292 PolarHBondContact O-N 2.99Å; L292-E295 PolarHBondContact O-N 3.21Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 3.13Å; L292-L296 VanDerWaalsContact O-N 3.09Å
293	C	95.6	Very high	93.7	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-47.8	174.3	-177.3	0	0	0	0	111.1	M228 I274 V278 Q289 L290 R291 L296 V297	M228-C293 HydrophobicContact SD-CB 3.63Å; I274-C293 VanDerWaalsContact CG2-SG 3.58Å; V278-C293 VanDerWaalsContact CG2-SG 3.56Å; Q289-C293 PolarHBondContact O-N 2.91Å; L290-C293 WeakPolarHBondContact O-CB 3.26Å; L290-C293 PolarHBondContact O-N 3.3Å; R291-C293 VanDerWaalsContact C-N 3.34Å; R291-C293 PolarHBondContact O-N 2.71Å; C293-L296 PolarHBondContact O-N 2.97Å; C293-V297 WeakPolarHBondContact O-CB 3.4Å; C293-V297 VanDerWaalsContact O-CG2 3.28Å; C293-V297 WeakPolarHBondContact O-CG2 3.44Å; C293-V297 PolarHBondContact O-N 3.05Å
294	Y	95.9	Very high	93.6	Very high	16 Å²	16	53 Å²	53	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-48.2	178.3	170.4	-111.1	0	0	0	111.8	L290 R291 L296 V297 N298 I304 F356 N357 D359 F362	L290-Y294 WeakPolarHBondContact O-CB 3.3Å; L290-Y294 PolarHBondContact O-N 3.27Å; R291-Y294 PolarHBondContact O-N 3.37Å; Y294-L296 VanDerWaalsContact C-N 3.25Å; Y294-L296 PolarHBondContact O-N 2.85Å; Y294-V297 PolarHBondContact O-N 3.34Å; Y294-N298 HydrophobicContact CD2-CB 4.46Å; Y294-N298 HydrophobicContact CE2-CB 4.13Å; Y294-N298 WeakPolarHBondContact O-CB 3.48Å; Y294-N298 PolarHBondContact O-N 3.4Å; Y294-I304 HydrophobicContact CE2-CD1 4.3Å; Y294-F356 AromaticContact CD2-CD1 3.94Å; Y294-F356 HydrophobicContact CD2-CD1 3.94Å; Y294-F356 AromaticContact CG-CD1 3.94Å; Y294-F356 HydrophobicContact CG-CD1 3.94Å; Y294-N357 HydrophobicContact CE1-CB 4.42Å; Y294-D359 HydrophobicContact CE2-CB 4.43Å; Y294-D359 PolarHBondContact OH-OD2 3.09Å; Y294-F362 AromaticContact CD2-CE2 3.88Å; Y294-F362 HydrophobicContact CD2-CE2 3.88Å; Y294-F362 AromaticContact CD2-CZ 3.89Å; Y294-F362 HydrophobicContact CD2-CZ 3.89Å; Y294-F362 HydrophobicContact CE2-CD2 4.27Å; Y294-F362 AromaticContact CE2-CE2 3.64Å; Y294-F362 HydrophobicContact CE2-CE2 3.64Å; Y294-F362 HydrophobicContact CE2-CZ 4.14Å
295	E	95.2	Very high	93.6	Very high	69 Å²	69	52.9 Å²	52.9	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-34.5	178.7	-74.4	175.6	-162.6	0	0	112.7	L232 R291 L292 R299	L232-E295 HydrophobicContact CD1-CB 4.2Å; L232-E295 HydrophobicContact CD2-CB 3.96Å; R291-E295 WeakPolarHBondContact O-CG 3.49Å; R291-E295 PolarHBondContact O-N 3.04Å; L292-E295 PolarHBondContact O-N 3.21Å; E295-R299 PolarHBondContact O-NH1 2.84Å
296	L	94.9	Very high	93.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-72.4	-52.8	174.8	-75.8	170.4	0	0	0	112.1	M228 A231 L232 L235 V267 L292 C293 Y294 N298 R299	M228-L296 HydrophobicContact CB-CD1 3.63Å; M228-L296 HydrophobicContact CG-CD1 3.77Å; A231-L296 HydrophobicContact CB-CD1 4.29Å; A231-L296 HydrophobicContact CB-CD2 3.9Å; L232-L296 HydrophobicContact CD1-CG 4.3Å; L232-L296 HydrophobicContact CD2-CD2 3.64Å; L232-L296 HydrophobicContact CD2-CG 3.82Å; L232-L296 HydrophobicContact CG-CD1 4.41Å; L232-L296 HydrophobicContact CG-CD2 3.7Å; L232-L296 HydrophobicContact CG-CG 3.76Å; L235-L296 HydrophobicContact CD1-CD2 4.09Å; V267-L296 HydrophobicContact CG1-CB 4.38Å; V267-L296 HydrophobicContact CG2-CD2 4.09Å; L292-L296 WeakPolarHBondContact O-CG 3.38Å; L292-L296 PolarHBondContact O-N 3.13Å; L292-L296 VanDerWaalsContact O-N 3.09Å; C293-L296 PolarHBondContact O-N 2.97Å; Y294-L296 VanDerWaalsContact C-N 3.25Å; Y294-L296 PolarHBondContact O-N 2.85Å; L296-N298 VanDerWaalsContact C-N 3.3Å; L296-N298 PolarHBondContact O-N 2.66Å; L296-R299 WeakPolarHBondContact O-CB 3.18Å; L296-R299 PolarHBondContact O-N 2.8Å; L296-R299 VanDerWaalsContact O-N 3.15Å
297	V	94.7	Very high	93.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-36.7	-176.2	176.8	0	0	0	0	110.8	M271 I274 L275 C293 Y294 R299 V300 E303 I304 L307	M271-V297 HydrophobicContact CE-CG2 4.39Å; M271-V297 HydrophobicContact SD-CG2 3.9Å; I274-V297 HydrophobicContact CG2-CG2 4.44Å; L275-V297 HydrophobicContact CD2-CG2 4.25Å; C293-V297 WeakPolarHBondContact O-CB 3.4Å; C293-V297 VanDerWaalsContact O-CG2 3.28Å; C293-V297 WeakPolarHBondContact O-CG2 3.44Å; C293-V297 PolarHBondContact O-N 3.05Å; Y294-V297 PolarHBondContact O-N 3.34Å; V297-R299 PolarHBondContact O-N 2.88Å; V297-R299 VanDerWaalsContact O-N 3.16Å; V297-V300 CarbonylContact O-C 3.57Å; V297-V300 WeakPolarHBondContact O-CA 3.12Å; V297-V300 PolarHBondContact O-N 3.16Å; V297-V300 VanDerWaalsContact O-O 3.08Å; V297-E303 HydrophobicContact CG1-CB 4.36Å; V297-I304 HydrophobicContact CG1-CB 4.5Å; V297-L307 HydrophobicContact CB-CD2 4.11Å; V297-L307 HydrophobicContact CG1-CB 4.26Å; V297-L307 HydrophobicContact CG1-CD2 4.18Å; V297-L307 HydrophobicContact CG2-CD2 4.32Å
298	N	93.9	Very high	93.8	Very high	73 Å²	73	51 Å²	51	39%	0.39	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	179	-166.6	37.7	0	0	0	113.3	Y294 L296 V300 I304	Y294-N298 HydrophobicContact CD2-CB 4.46Å; Y294-N298 HydrophobicContact CE2-CB 4.13Å; Y294-N298 WeakPolarHBondContact O-CB 3.48Å; Y294-N298 PolarHBondContact O-N 3.4Å; L296-N298 VanDerWaalsContact C-N 3.3Å; L296-N298 PolarHBondContact O-N 2.66Å; N298-V300 PolarHBondContact O-N 2.65Å; N298-I304 HydrophobicContact CB-CD1 4.23Å; N298-I304 VanDerWaalsContact OD1-CD1 3.25Å; N298-I304 WeakPolarHBondContact OD1-CD1 3.45Å
299	R	92.7	Very high	93.9	Very high	99 Å²	99	51.1 Å²	51.1	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.6	170.4	-68.1	-173.2	175.3	83.2	-13.3	113.1	L263 E295 L296 V297	L263-R299 HydrophobicContact CD1-CB 4.36Å; L263-R299 HydrophobicContact CD2-CB 3.68Å; L263-R299 HydrophobicContact CD2-CG 4.35Å; E295-R299 PolarHBondContact O-NH1 2.84Å; L296-R299 WeakPolarHBondContact O-CB 3.18Å; L296-R299 PolarHBondContact O-N 2.8Å; L296-R299 VanDerWaalsContact O-N 3.15Å; V297-R299 PolarHBondContact O-N 2.88Å; V297-R299 VanDerWaalsContact O-N 3.16Å
300	V	91.8	Very high	93.9	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.109	25%	0.254	C	S	.	.	S	Bend	trans	-120.6	88	176.4	-172.4	0	0	0	0	108.7	V267 V268 M271 V297 N298 Q302 E303	V267-V300 HydrophobicContact CB-CG2 4.17Å; V267-V300 HydrophobicContact CG1-CG2 4.02Å; V268-V300 HydrophobicContact CG2-CG1 4.13Å; V268-V300 HydrophobicContact CG2-CG2 4.06Å; M271-V300 HydrophobicContact CE-CB 4.25Å; M271-V300 HydrophobicContact CE-CG2 4.36Å; V297-V300 CarbonylContact O-C 3.57Å; V297-V300 WeakPolarHBondContact O-CA 3.12Å; V297-V300 PolarHBondContact O-N 3.16Å; V297-V300 VanDerWaalsContact O-O 3.08Å; N298-V300 PolarHBondContact O-N 2.65Å; V300-Q302 PolarHBondContact O-N 3.03Å; V300-E303 HydrophobicContact CB-CG 4.49Å; V300-E303 HydrophobicContact CG1-CB 4.26Å; V300-E303 HydrophobicContact CG1-CG 3.78Å; V300-E303 PolarHBondContact O-N 2.83Å
301	P	86.9	Confident	93.9	Very high	100 Å²	100	51.9 Å²	51.9	65%	0.649	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.8	-170.2	-26.2	33.4	0	0	0	114.8	E303 I304	P301-E303 VanDerWaalsContact C-N 3.29Å; P301-E303 PolarHBondContact O-N 2.89Å; P301-I304 WeakPolarHBondContact O-CG2 3.32Å
302	Q	87.1	Confident	93.9	Very high	165 Å²	165	49.3 Å²	49.3	77%	0.771	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.8	-178.7	-64.4	175.7	-3.3	0	0	113.4	V300	V300-Q302 PolarHBondContact O-N 3.03Å
303	E	89.1	Confident	94	Very high	43 Å²	43	50.9 Å²	50.9	20%	0.201	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-9	-173.5	-63.8	-68.1	141.3	0	0	112.5	M271 V297 V300 P301 D305 R306	M271-E303 HydrophobicContact CE-CB 3.61Å; M271-E303 HydrophobicContact CE-CG 3.75Å; M271-E303 HydrophobicContact CG-CB 4.28Å; M271-E303 HydrophobicContact CG-CG 4.11Å; M271-E303 HydrophobicContact SD-CB 4.05Å; M271-E303 HydrophobicContact SD-CG 4.41Å; V297-E303 HydrophobicContact CG1-CB 4.36Å; V300-E303 HydrophobicContact CB-CG 4.49Å; V300-E303 HydrophobicContact CG1-CB 4.26Å; V300-E303 HydrophobicContact CG1-CG 3.78Å; V300-E303 PolarHBondContact O-N 2.83Å; P301-E303 VanDerWaalsContact C-N 3.29Å; P301-E303 PolarHBondContact O-N 2.89Å; E303-D305 PolarHBondContact O-N 2.86Å; E303-R306 WeakPolarHBondContact O-CB 3.33Å; E303-R306 PolarHBondContact O-N 2.68Å; E303-R306 VanDerWaalsContact O-N 3.12Å; E303-R306 WeakPolarHBondContact OE2-CD 3.08Å; E303-R306 IonicContact OE2-CZ 3.26Å; E303-R306 IonicContact OE2-NE 2.87Å; E303-R306 IonicContact OE2-NH1 3.86Å; E303-R306 PolarHBondContact OE2-NH1 2.97Å
304	I	92.9	Very high	94	Very high	18 Å²	18	51.9 Å²	51.9	9%	0.092	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-31.8	-179.9	-156	160.1	0	0	0	112.2	Y294 V297 N298 P301 R306 L307 L308 F362	Y294-I304 HydrophobicContact CE2-CD1 4.3Å; V297-I304 HydrophobicContact CG1-CB 4.5Å; N298-I304 HydrophobicContact CB-CD1 4.23Å; N298-I304 VanDerWaalsContact OD1-CD1 3.25Å; N298-I304 WeakPolarHBondContact OD1-CD1 3.45Å; P301-I304 WeakPolarHBondContact O-CG2 3.32Å; I304-R306 VanDerWaalsContact C-N 3.26Å; I304-R306 PolarHBondContact O-N 2.69Å; I304-L307 WeakPolarHBondContact O-CB 3.39Å; I304-L307 PolarHBondContact O-N 2.91Å; I304-L307 VanDerWaalsContact O-N 3.09Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 2.93Å; I304-F362 HydrophobicContact CD1-CE2 4.09Å; I304-F362 HydrophobicContact CG1-CE2 4Å; I304-F362 HydrophobicContact CG1-CZ 4.21Å
305	D	93.6	Very high	94.1	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-35.5	177.1	-70.5	-30.4	0	0	0	112.2	E303 L307 L308 V309	E303-D305 PolarHBondContact O-N 2.86Å; D305-L307 VanDerWaalsContact C-N 3.33Å; D305-L308 WeakPolarHBondContact O-CB 3.32Å; D305-L308 PolarHBondContact O-N 3.48Å; D305-V309 WeakPolarHBondContact O-CG2 3.27Å; D305-V309 PolarHBondContact O-N 2.9Å
306	R	95.1	Very high	94	Very high	104 Å²	104	51.3 Å²	51.3	39%	0.392	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-38.3	176.3	-62.8	177.1	70.4	-172.3	-1.4	111.3	D272 L275 E303 I304 V309 L310	D272-R306 IonicContact OD1-CZ 3.59Å; D272-R306 VanDerWaalsContact OD1-CZ 3.3Å; D272-R306 IonicContact OD1-NH1 3.83Å; D272-R306 PolarHBondContact OD1-NH1 3.48Å; D272-R306 IonicContact OD1-NH2 2.73Å; D272-R306 PolarHBondContact OD1-NH2 3.46Å; L275-R306 HydrophobicContact CD1-CB 3.78Å; E303-R306 WeakPolarHBondContact O-CB 3.33Å; E303-R306 PolarHBondContact O-N 2.68Å; E303-R306 VanDerWaalsContact O-N 3.12Å; E303-R306 WeakPolarHBondContact OE2-CD 3.08Å; E303-R306 IonicContact OE2-CZ 3.26Å; E303-R306 IonicContact OE2-NE 2.87Å; E303-R306 IonicContact OE2-NH1 3.86Å; E303-R306 PolarHBondContact OE2-NH1 2.97Å; I304-R306 VanDerWaalsContact C-N 3.26Å; I304-R306 PolarHBondContact O-N 2.69Å; R306-V309 PolarHBondContact O-N 2.83Å; R306-L310 WeakPolarHBondContact O-CG 3.3Å; R306-L310 PolarHBondContact O-N 3.29Å; R306-L310 VanDerWaalsContact O-N 3.15Å
307	L	95.4	Very high	94	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.4	-38.8	176.1	-177.3	57.1	0	0	0	111.5	L275 V278 V297 I304 D305 V309 L310 L311 F356 F362	L275-L307 HydrophobicContact CD2-CB 4.21Å; L275-L307 HydrophobicContact CD2-CD1 4.27Å; V278-L307 HydrophobicContact CB-CD1 4.42Å; V278-L307 HydrophobicContact CG1-CD1 3.75Å; V278-L307 HydrophobicContact CG2-CD1 3.89Å; V297-L307 HydrophobicContact CB-CD2 4.11Å; V297-L307 HydrophobicContact CG1-CB 4.26Å; V297-L307 HydrophobicContact CG1-CD2 4.18Å; V297-L307 HydrophobicContact CG2-CD2 4.32Å; I304-L307 WeakPolarHBondContact O-CB 3.39Å; I304-L307 PolarHBondContact O-N 2.91Å; I304-L307 VanDerWaalsContact O-N 3.09Å; D305-L307 VanDerWaalsContact C-N 3.33Å; L307-V309 PolarHBondContact O-N 3.49Å; L307-L310 PolarHBondContact O-N 3.09Å; L307-L311 PolarHBondContact O-N 3.41Å; L307-L311 VanDerWaalsContact O-N 3.09Å; L307-F356 HydrophobicContact CD2-CE1 4.35Å; L307-F362 HydrophobicContact CB-CZ 4.44Å; L307-F362 HydrophobicContact CD2-CE1 4.1Å; L307-F362 HydrophobicContact CD2-CZ 3.76Å; L307-F362 HydrophobicContact CG-CE1 3.88Å; L307-F362 HydrophobicContact CG-CZ 3.87Å
308	L	96.3	Very high	94	Very high	22 Å²	22	57.8 Å²	57.8	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-45.1	173.3	-69.3	171.8	0	0	0	111.7	I304 D305 L310 L311 E312 H361 F362 A365	I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 2.93Å; D305-L308 WeakPolarHBondContact O-CB 3.32Å; D305-L308 PolarHBondContact O-N 3.48Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 2.94Å; L308-L311 PolarHBondContact O-N 3.3Å; L308-E312 WeakPolarHBondContact O-CB 3.25Å; L308-E312 PolarHBondContact O-N 3.15Å; L308-H361 HydrophobicContact CD1-CB 3.9Å; L308-H361 HydrophobicContact CD2-CB 3.97Å; L308-F362 HydrophobicContact CD2-CB 4.31Å; L308-F362 HydrophobicContact CD2-CD1 3.86Å; L308-F362 HydrophobicContact CD2-CD2 3.6Å; L308-F362 HydrophobicContact CD2-CE1 3.99Å; L308-F362 HydrophobicContact CD2-CE2 3.74Å; L308-F362 HydrophobicContact CD2-CG 3.66Å; L308-F362 HydrophobicContact CD2-CZ 3.92Å; L308-F362 HydrophobicContact CG-CE2 4.39Å; L308-F362 HydrophobicContact CG-CZ 4.39Å; L308-A365 HydrophobicContact CD2-CB 4.03Å
309	V	96.5	Very high	93.9	Very high	90 Å²	90	54.3 Å²	54.3	55%	0.545	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-42	177.5	170.5	0	0	0	0	111.4	D305 R306 L307 E312 E313	D305-V309 WeakPolarHBondContact O-CG2 3.27Å; D305-V309 PolarHBondContact O-N 2.9Å; R306-V309 PolarHBondContact O-N 2.83Å; L307-V309 PolarHBondContact O-N 3.49Å; V309-E312 PolarHBondContact O-N 3Å; V309-E313 VanDerWaalsContact O-CB 3.3Å; V309-E313 WeakPolarHBondContact O-CB 3.4Å; V309-E313 PolarHBondContact O-N 3.26Å
310	L	96.2	Very high	93.9	Very high	50 Å²	50	50.3 Å²	50.3	26%	0.262	25%	0.25	S	S	.	.	H	α-helix	trans	-64.2	-41	178	-69	172.1	0	0	0	112.3	L275 V278 P279 R306 L307 L308 Y314	L275-L310 HydrophobicContact CB-CD1 4.08Å; L275-L310 HydrophobicContact CD2-CD1 4.18Å; V278-L310 HydrophobicContact CB-CD1 4.06Å; V278-L310 HydrophobicContact CG1-CB 4.16Å; V278-L310 HydrophobicContact CG1-CD1 4.15Å; P279-L310 HydrophobicContact CG-CD2 4.26Å; R306-L310 WeakPolarHBondContact O-CG 3.3Å; R306-L310 PolarHBondContact O-N 3.29Å; R306-L310 VanDerWaalsContact O-N 3.15Å; L307-L310 PolarHBondContact O-N 3.09Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 2.94Å; L310-Y314 WeakPolarHBondContact O-CB 3.49Å; L310-Y314 PolarHBondContact O-N 3.34Å
311	L	96.6	Very high	93.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-47.2	175.1	178.3	65.2	0	0	0	111.5	L282 L307 L308 E313 Y314 I315 M351 V352 F356 F362	L282-L311 HydrophobicContact CD2-CD1 3.84Å; L307-L311 PolarHBondContact O-N 3.41Å; L307-L311 VanDerWaalsContact O-N 3.09Å; L308-L311 PolarHBondContact O-N 3.3Å; L311-E313 VanDerWaalsContact C-N 3.29Å; L311-E313 PolarHBondContact O-N 2.97Å; L311-Y314 PolarHBondContact O-N 3.49Å; L311-I315 HydrophobicContact CD1-CD1 3.8Å; L311-I315 HydrophobicContact CD1-CG1 4.01Å; L311-I315 HydrophobicContact CD2-CD1 4.3Å; L311-I315 HydrophobicContact CG-CD1 3.77Å; L311-I315 HydrophobicContact CG-CG1 4.33Å; L311-I315 WeakPolarHBondContact O-CG1 3.39Å; L311-I315 PolarHBondContact O-N 3.12Å; L311-M351 HydrophobicContact CD1-SD 4.32Å; L311-V352 HydrophobicContact CD2-CG2 3.96Å; L311-F356 HydrophobicContact CD1-CE2 4Å; L311-F356 HydrophobicContact CD2-CD2 4.09Å; L311-F356 HydrophobicContact CD2-CE2 3.87Å; L311-F356 HydrophobicContact CG-CE2 4.47Å; L311-F362 HydrophobicContact CD2-CB 4.35Å; L311-F362 HydrophobicContact CD2-CD1 3.65Å; L311-F362 HydrophobicContact CD2-CE1 4.48Å; L311-F362 HydrophobicContact CD2-CG 4.48Å
312	E	96.8	Very high	94	Very high	35 Å²	35	52.5 Å²	52.5	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-46.9	179.2	-168.9	-175	144.6	0	0	110.3	L308 V309 I315 R316 K368 A369	L308-E312 WeakPolarHBondContact O-CB 3.25Å; L308-E312 PolarHBondContact O-N 3.15Å; V309-E312 PolarHBondContact O-N 3Å; E312-I315 PolarHBondContact O-N 3.32Å; E312-R316 VanDerWaalsContact O-CB 3.26Å; E312-R316 WeakPolarHBondContact O-CB 3.34Å; E312-R316 PolarHBondContact O-N 3.04Å; E312-K368 WeakPolarHBondContact OE1-CD 3.17Å; E312-K368 WeakPolarHBondContact OE1-CE 3.37Å; E312-K368 IonicContact OE1-NZ 3.55Å; E312-K368 PolarHBondContact OE1-NZ 3.44Å; E312-K368 IonicContact OE2-NZ 3.67Å; E312-K368 PolarHBondContact OE2-NZ 3.28Å; E312-A369 HydrophobicContact CG-CB 3.86Å; E312-A369 WeakPolarHBondContact O-CB 3.37Å
313	E	96.3	Very high	93.9	Very high	64 Å²	64	44.9 Å²	44.9	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-46.2	178	-173.1	59.6	-154	0	0	112.2	V309 L311 R316 Q317	V309-E313 VanDerWaalsContact O-CB 3.3Å; V309-E313 WeakPolarHBondContact O-CB 3.4Å; V309-E313 PolarHBondContact O-N 3.26Å; L311-E313 VanDerWaalsContact C-N 3.29Å; L311-E313 PolarHBondContact O-N 2.97Å; E313-R316 PolarHBondContact O-N 3.26Å; E313-R316 IonicContact OE1-CZ 3.44Å; E313-R316 IonicContact OE1-NH1 2.97Å; E313-R316 IonicContact OE1-NH2 3.86Å; E313-R316 PolarHBondContact OE1-NH2 3Å; E313-R316 IonicContact OE2-CZ 3.3Å; E313-R316 VanDerWaalsContact OE2-CZ 3.27Å; E313-R316 IonicContact OE2-NE 3.05Å; E313-R316 PolarHBondContact OE2-NE 3.44Å; E313-R316 IonicContact OE2-NH2 2.71Å; E313-R316 PolarHBondContact OE2-NH2 2.98Å; E313-Q317 HydrophobicContact CG-CG 4.33Å; E313-Q317 WeakPolarHBondContact O-CB 3.25Å; E313-Q317 WeakPolarHBondContact O-CG 3.47Å; E313-Q317 PolarHBondContact O-N 2.67Å; E313-Q317 VanDerWaalsContact OE1-CG 3.27Å; E313-Q317 WeakPolarHBondContact OE1-CG 3.38Å; E313-Q317 PolarHBondContact OE1-NE2 3.23Å
314	Y	96.5	Very high	93.7	Very high	22 Å²	22	49.8 Å²	49.8	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-48.3	178.5	170.2	-104.4	0	0	0	112.1	L282 H283 L310 L311 R316 T318 F348 M351	L282-Y314 HydrophobicContact CB-CD1 3.83Å; L282-Y314 HydrophobicContact CB-CD2 3.82Å; L282-Y314 HydrophobicContact CB-CE1 4Å; L282-Y314 HydrophobicContact CB-CE2 4.01Å; L282-Y314 HydrophobicContact CB-CG 3.73Å; L282-Y314 HydrophobicContact CD1-CD1 4.22Å; L282-Y314 HydrophobicContact CD1-CG 3.92Å; L282-Y314 HydrophobicContact CD2-CD1 4.19Å; L282-Y314 HydrophobicContact CG-CD1 4.31Å; L282-Y314 HydrophobicContact CG-CG 4.31Å; L282-Y314 PolarHBondContact O-OH 3.09Å; H283-Y314 HydrophobicContact CB-CE2 4.42Å; L310-Y314 WeakPolarHBondContact O-CB 3.49Å; L310-Y314 PolarHBondContact O-N 3.34Å; L311-Y314 PolarHBondContact O-N 3.49Å; Y314-R316 VanDerWaalsContact C-N 3.34Å; Y314-R316 PolarHBondContact O-N 3.4Å; Y314-T318 VanDerWaalsContact CE2-OG1 3.22Å; Y314-T318 WeakPolarHBondContact CE2-OG1 3.36Å; Y314-T318 WeakPolarHBondContact O-CB 3.15Å; Y314-T318 PolarHBondContact O-N 3.37Å; Y314-T318 PolarHBondContact O-OG1 3.37Å; Y314-F348 HydrophobicContact CE1-CE1 4.04Å; Y314-M351 HydrophobicContact CD1-SD 4.37Å; Y314-M351 HydrophobicContact CE1-CE 3.82Å; Y314-M351 HydrophobicContact CE1-SD 3.93Å
315	I	97	Very high	93.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-50.8	178.4	-70	174	0	0	0	108.9	L311 E312 T318 G319 F348 R366 A369 I373	L311-I315 HydrophobicContact CD1-CD1 3.8Å; L311-I315 HydrophobicContact CD1-CG1 4.01Å; L311-I315 HydrophobicContact CD2-CD1 4.3Å; L311-I315 HydrophobicContact CG-CD1 3.77Å; L311-I315 HydrophobicContact CG-CG1 4.33Å; L311-I315 WeakPolarHBondContact O-CG1 3.39Å; L311-I315 PolarHBondContact O-N 3.12Å; E312-I315 PolarHBondContact O-N 3.32Å; I315-T318 PolarHBondContact O-N 2.97Å; I315-G319 PolarHBondContact O-N 3.39Å; I315-F348 HydrophobicContact CB-CD2 4.48Å; I315-F348 HydrophobicContact CB-CE2 4.47Å; I315-F348 HydrophobicContact CD1-CB 4.17Å; I315-F348 HydrophobicContact CD1-CG 4.31Å; I315-F348 HydrophobicContact CG1-CB 4.33Å; I315-F348 HydrophobicContact CG1-CD1 3.82Å; I315-F348 HydrophobicContact CG1-CD2 4.36Å; I315-F348 HydrophobicContact CG1-CE1 4.16Å; I315-F348 HydrophobicContact CG1-CG 3.93Å; I315-F348 HydrophobicContact CG2-CD2 3.63Å; I315-F348 HydrophobicContact CG2-CE2 3.72Å; I315-F348 HydrophobicContact CG2-CG 4.06Å; I315-F348 HydrophobicContact CG2-CZ 4.23Å; I315-R366 HydrophobicContact CD1-CB 3.82Å; I315-R366 HydrophobicContact CD1-CG 3.93Å; I315-A369 HydrophobicContact CB-CB 3.71Å; I315-A369 HydrophobicContact CG2-CB 3.46Å; I315-A369 VanDerWaalsContact CG2-CB 3.46Å; I315-I373 HydrophobicContact CG2-CD1 3.91Å; I315-I373 WeakPolarHBondContact O-CD1 3.49Å
316	R	94.9	Very high	92.8	Very high	73 Å²	73	51 Å²	51	28%	0.275	24%	0.241	S	C	.	.	H	α-helix	trans	-59.7	-51.6	-178.8	-172.1	-179.1	59.9	71.8	-15.8	111.8	E312 E313 Y314 L320 A369 D372	E312-R316 VanDerWaalsContact O-CB 3.26Å; E312-R316 WeakPolarHBondContact O-CB 3.34Å; E312-R316 PolarHBondContact O-N 3.04Å; E313-R316 PolarHBondContact O-N 3.26Å; E313-R316 IonicContact OE1-CZ 3.44Å; E313-R316 IonicContact OE1-NH1 2.97Å; E313-R316 IonicContact OE1-NH2 3.86Å; E313-R316 PolarHBondContact OE1-NH2 3Å; E313-R316 IonicContact OE2-CZ 3.3Å; E313-R316 VanDerWaalsContact OE2-CZ 3.27Å; E313-R316 IonicContact OE2-NE 3.05Å; E313-R316 PolarHBondContact OE2-NE 3.44Å; E313-R316 IonicContact OE2-NH2 2.71Å; E313-R316 PolarHBondContact OE2-NH2 2.98Å; Y314-R316 VanDerWaalsContact C-N 3.34Å; Y314-R316 PolarHBondContact O-N 3.4Å; R316-L320 HydrophobicContact CG-CD1 3.97Å; R316-L320 WeakPolarHBondContact O-CB 3.39Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 3.35Å; R316-A369 HydrophobicContact CB-CB 4.46Å; R316-D372 HydrophobicContact CG-CB 4.42Å
317	Q	94.3	Very high	91.9	Very high	109 Å²	109	47 Å²	47	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-46.8	-179.7	-72.5	-171.6	10.1	0	0	111.9	E313 L320 K321	E313-Q317 HydrophobicContact CG-CG 4.33Å; E313-Q317 WeakPolarHBondContact O-CB 3.25Å; E313-Q317 WeakPolarHBondContact O-CG 3.47Å; E313-Q317 PolarHBondContact O-N 2.67Å; E313-Q317 VanDerWaalsContact OE1-CG 3.27Å; E313-Q317 WeakPolarHBondContact OE1-CG 3.38Å; E313-Q317 PolarHBondContact OE1-NE2 3.23Å; Q317-L320 PolarHBondContact O-N 3.5Å; Q317-K321 VanDerWaalsContact O-CB 3.25Å; Q317-K321 WeakPolarHBondContact O-CB 3.35Å; Q317-K321 PolarHBondContact O-N 2.94Å
318	T	94.3	Very high	90.8	Very high	27 Å²	27	54.8 Å²	54.8	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-44.6	-178	-59.2	0	0	0	0	111	Y314 I315 K321 D322 F348	Y314-T318 VanDerWaalsContact CE2-OG1 3.22Å; Y314-T318 WeakPolarHBondContact CE2-OG1 3.36Å; Y314-T318 WeakPolarHBondContact O-CB 3.15Å; Y314-T318 PolarHBondContact O-N 3.37Å; Y314-T318 PolarHBondContact O-OG1 3.37Å; I315-T318 PolarHBondContact O-N 2.97Å; T318-K321 PolarHBondContact O-N 2.96Å; T318-D322 WeakPolarHBondContact O-CB 3.4Å; T318-D322 PolarHBondContact O-N 3.01Å; T318-F348 HydrophobicContact CG2-CE1 4.47Å; T318-F348 HydrophobicContact CG2-CZ 4.12Å
319	G	92.5	Very high	89.5	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-45.5	177	0	0	0	0	0	112.8	I315 D322 I323	I315-G319 PolarHBondContact O-N 3.39Å; G319-D322 PolarHBondContact O-N 3.45Å; G319-I323 WeakPolarHBondContact O-CG1 3.46Å; G319-I323 PolarHBondContact O-N 3.43Å
320	L	90.9	Very high	88.2	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-38.8	178	-68.1	178.8	0	0	0	112.7	R316 Q317 D322 I323 R324 I373 N376	R316-L320 HydrophobicContact CG-CD1 3.97Å; R316-L320 WeakPolarHBondContact O-CB 3.39Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 3.35Å; Q317-L320 PolarHBondContact O-N 3.5Å; L320-D322 VanDerWaalsContact C-N 3.32Å; L320-I323 PolarHBondContact O-N 3.34Å; L320-R324 WeakPolarHBondContact O-CB 3.37Å; L320-R324 VanDerWaalsContact O-CG 3.28Å; L320-R324 WeakPolarHBondContact O-CG 3.49Å; L320-R324 PolarHBondContact O-N 3.19Å; L320-I373 HydrophobicContact CD2-CG1 4.49Å; L320-I373 HydrophobicContact CG-CG1 4.45Å; L320-N376 HydrophobicContact CD2-CB 3.44Å; L320-N376 VanDerWaalsContact CD2-CB 3.44Å; L320-N376 WeakPolarHBondContact CD2-ND2 3.47Å
321	K	90.9	Very high	86.7	Confident	142 Å²	142	56.2 Å²	56.2	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-61.8	-43	174.1	-177.1	179.7	178.6	-178.7	0	110.9	Q317 T318 R324 T325	Q317-K321 VanDerWaalsContact O-CB 3.25Å; Q317-K321 WeakPolarHBondContact O-CB 3.35Å; Q317-K321 PolarHBondContact O-N 2.94Å; T318-K321 PolarHBondContact O-N 2.96Å; K321-R324 PolarHBondContact O-N 2.97Å; K321-T325 WeakPolarHBondContact O-CB 3.45Å; K321-T325 PolarHBondContact O-N 2.93Å; K321-T325 PolarHBondContact O-OG1 2.7Å
322	D	89.9	Confident	85.3	Confident	23 Å²	23	65.2 Å²	65.2	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-45.9	178.5	-171.1	72.6	0	0	0	112	T318 G319 L320 T325 N326 R340 L344	T318-D322 WeakPolarHBondContact O-CB 3.4Å; T318-D322 PolarHBondContact O-N 3.01Å; G319-D322 PolarHBondContact O-N 3.45Å; L320-D322 VanDerWaalsContact C-N 3.32Å; D322-T325 PolarHBondContact O-N 3.11Å; D322-N326 PolarHBondContact O-N 3.15Å; D322-N326 PolarHBondContact O-ND2 3.23Å; D322-R340 IonicContact OD1-CZ 3.04Å; D322-R340 IonicContact OD1-NE 2.83Å; D322-R340 PolarHBondContact OD1-NE 2.92Å; D322-R340 IonicContact OD1-NH2 3.31Å; D322-R340 PolarHBondContact OD1-NH2 2.75Å; D322-R340 WeakPolarHBondContact OD2-CD 3.4Å; D322-R340 WeakPolarHBondContact OD2-CG 3.43Å; D322-R340 IonicContact OD2-CZ 3.59Å; D322-R340 IonicContact OD2-NE 3.87Å; D322-R340 PolarHBondContact OD2-NE 2.9Å; D322-R340 IonicContact OD2-NH2 2.7Å; D322-L344 HydrophobicContact CB-CD2 4.36Å
323	I	85.8	Confident	84.5	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.3	-67.3	-178.9	0	0	0	111.1	G319 L320 T325 N326 A327 L341 I373 V379 F380	G319-I323 WeakPolarHBondContact O-CG1 3.46Å; G319-I323 PolarHBondContact O-N 3.43Å; L320-I323 PolarHBondContact O-N 3.34Å; I323-T325 PolarHBondContact O-N 2.94Å; I323-N326 PolarHBondContact O-N 3.32Å; I323-A327 PolarHBondContact O-N 2.58Å; I323-L341 HydrophobicContact CD1-CD2 3.77Å; I323-I373 HydrophobicContact CD1-CG2 3.34Å; I323-I373 HydrophobicContact CG1-CG2 4.43Å; I323-V379 HydrophobicContact CG2-CB 3.99Å; I323-V379 HydrophobicContact CG2-CG1 4.12Å; I323-V379 HydrophobicContact CG2-CG2 3.93Å; I323-F380 HydrophobicContact CG2-CD2 3.9Å; I323-F380 HydrophobicContact CG2-CE2 3.59Å
324	R	85	Confident	83.8	Confident	145 Å²	145	63.7 Å²	63.7	55%	0.547	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-45.2	177.8	-78.2	174.9	-174.1	-169.9	4.5	112.3	L320 K321 N326 A327 S378 V379	L320-R324 WeakPolarHBondContact O-CB 3.37Å; L320-R324 VanDerWaalsContact O-CG 3.28Å; L320-R324 WeakPolarHBondContact O-CG 3.49Å; L320-R324 PolarHBondContact O-N 3.19Å; K321-R324 PolarHBondContact O-N 2.97Å; R324-N326 PolarHBondContact O-N 3.38Å; R324-A327 WeakPolarHBondContact O-CB 3.21Å; R324-A327 PolarHBondContact O-N 3.41Å; R324-S378 PolarHBondContact NE-OG 3.28Å; R324-S378 VanDerWaalsContact NH2-CB 3.35Å; R324-S378 PolarHBondContact NH2-OG 3.14Å; R324-V379 HydrophobicContact CB-CG2 4.29Å; R324-V379 HydrophobicContact CG-CG2 3.32Å
325	T	86.1	Confident	83.3	Confident	104 Å²	104	64.5 Å²	64.5	64%	0.638	31%	0.313	S	S	*	.	H	α-helix	trans	-65	-29.7	-177.2	-52.4	0	0	0	0	111.6	K321 D322 I323	K321-T325 WeakPolarHBondContact O-CB 3.45Å; K321-T325 PolarHBondContact O-N 2.93Å; K321-T325 PolarHBondContact O-OG1 2.7Å; D322-T325 PolarHBondContact O-N 3.11Å; I323-T325 PolarHBondContact O-N 2.94Å
326	N	82.3	Confident	82.8	Confident	41 Å²	41	69.8 Å²	69.8	22%	0.219	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	12	-177.3	-65	-75.2	0	0	0	113.8	D322 I323 R324 E328 I329 M330	D322-N326 PolarHBondContact O-N 3.15Å; D322-N326 PolarHBondContact O-ND2 3.23Å; I323-N326 PolarHBondContact O-N 3.32Å; R324-N326 PolarHBondContact O-N 3.38Å; N326-E328 PolarHBondContact O-N 3.3Å; N326-I329 PolarHBondContact O-N 3.35Å; N326-M330 HydrophobicContact CB-CG 4.45Å; N326-M330 HydrophobicContact CB-SD 4Å; N326-M330 WeakPolarHBondContact O-CB 3.47Å; N326-M330 WeakPolarHBondContact O-CG 3.37Å; N326-M330 PolarHBondContact O-N 2.61Å; N326-M330 VanDerWaalsContact O-N 3.13Å
327	A	76.5	Confident	82.4	Confident	21 Å²	21	66.4 Å²	66.4	17%	0.174	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-46.3	-169.5	0	0	0	0	0	113.6	I323 R324 I329 M330 L331 V379 F380	I323-A327 PolarHBondContact O-N 2.58Å; R324-A327 WeakPolarHBondContact O-CB 3.21Å; R324-A327 PolarHBondContact O-N 3.41Å; A327-I329 VanDerWaalsContact C-N 3.32Å; A327-I329 PolarHBondContact O-N 3.17Å; A327-M330 PolarHBondContact O-N 3.42Å; A327-L331 WeakPolarHBondContact O-CG 3.28Å; A327-L331 PolarHBondContact O-N 3.32Å; A327-V379 HydrophobicContact CB-CG1 3.46Å; A327-V379 VanDerWaalsContact CB-CG1 3.46Å; A327-F380 HydrophobicContact CB-CZ 4.28Å
328	E	70.5	Confident	82.2	Confident	163 Å²	163	61.2 Å²	61.2	76%	0.762	30%	0.299	S	S	*	.	H	α-helix	trans	-62.7	-37.3	-176.9	-65.2	-172	167	0	0	113.4	N326	N326-E328 PolarHBondContact O-N 3.3Å
329	I	70.7	Confident	82	Confident	89 Å²	89	61.7 Å²	61.7	46%	0.456	30%	0.303	S	S	.	.	H	α-helix	trans	-73.1	-41.6	179.9	-60.5	174.1	0	0	0	109.5	N326 A327 K332 K336	N326-I329 PolarHBondContact O-N 3.35Å; A327-I329 VanDerWaalsContact C-N 3.32Å; A327-I329 PolarHBondContact O-N 3.17Å; I329-K332 PolarHBondContact O-N 3.27Å; I329-K336 HydrophobicContact CG2-CD 3.47Å; I329-K336 VanDerWaalsContact CG2-CD 3.47Å
330	M	68.9	Low	81.9	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-70	-32	-177.9	-77.5	172.2	137.7	0	0	113.4	N326 A327 K332 D333 Y337 R340 F380	N326-M330 HydrophobicContact CB-CG 4.45Å; N326-M330 HydrophobicContact CB-SD 4Å; N326-M330 WeakPolarHBondContact O-CB 3.47Å; N326-M330 WeakPolarHBondContact O-CG 3.37Å; N326-M330 PolarHBondContact O-N 2.61Å; N326-M330 VanDerWaalsContact O-N 3.13Å; A327-M330 PolarHBondContact O-N 3.42Å; M330-K332 PolarHBondContact O-N 3.13Å; M330-K332 VanDerWaalsContact O-N 3.13Å; M330-D333 PolarHBondContact O-N 3.33Å; M330-Y337 HydrophobicContact CB-CD2 4.06Å; M330-Y337 HydrophobicContact CE-CD2 3.49Å; M330-Y337 VanDerWaalsContact CE-CD2 3.49Å; M330-Y337 HydrophobicContact CE-CE2 4.17Å; M330-Y337 HydrophobicContact CE-CG 4.14Å; M330-Y337 HydrophobicContact CG-CD2 4.01Å; M330-Y337 HydrophobicContact SD-CD2 3.66Å; M330-Y337 HydrophobicContact SD-CE2 4.33Å; M330-R340 HydrophobicContact CE-CB 3.38Å; M330-R340 HydrophobicContact CE-CG 3.82Å; M330-F380 HydrophobicContact CB-CE1 4.25Å; M330-F380 HydrophobicContact CB-CE2 4.21Å; M330-F380 HydrophobicContact CB-CZ 3.5Å; M330-F380 VanDerWaalsContact CB-CZ 3.5Å; M330-F380 HydrophobicContact CG-CZ 4.45Å; M330-F380 HydrophobicContact SD-CE2 4.02Å; M330-F380 HydrophobicContact SD-CZ 4.15Å
331	L	63.5	Low	82	Confident	99 Å²	99	65.9 Å²	65.9	52%	0.518	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.9	175.6	-80.5	172.1	0	0	0	113.1	A327 F380	A327-L331 WeakPolarHBondContact O-CG 3.28Å; A327-L331 PolarHBondContact O-N 3.32Å; L331-F380 HydrophobicContact CD2-CD1 3.9Å; L331-F380 HydrophobicContact CD2-CE1 3.69Å; L331-F380 HydrophobicContact CG-CE1 3.81Å
332	K	68.5	Low	82.1	Confident	190 Å²	190	60 Å²	60	83%	0.826	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.4	-174.7	-63.4	-179.4	-177.7	174.9	0	113	I329 M330	I329-K332 PolarHBondContact O-N 3.27Å; M330-K332 PolarHBondContact O-N 3.13Å; M330-K332 VanDerWaalsContact O-N 3.13Å
333	D	78.4	Confident	82.3	Confident	48 Å²	48	63.7 Å²	63.7	26%	0.257	31%	0.313	S	S	.	.			trans	-143.6	100.5	-167.5	-164.6	-11.2	0	0	0	112.5	M330 D335 K336 Y337	M330-D333 PolarHBondContact O-N 3.33Å; D333-D335 PolarHBondContact O-N 3.22Å; D333-D335 VanDerWaalsContact OD1-CB 3.27Å; D333-D335 WeakPolarHBondContact OD1-CB 3.39Å; D333-D335 PolarHBondContact OD1-N 2.93Å; D333-D335 VanDerWaalsContact OD1-N 3.11Å; D333-K336 HydrophobicContact CB-CB 4.35Å; D333-K336 HydrophobicContact CB-CD 4.16Å; D333-K336 HydrophobicContact CB-CG 4.26Å; D333-K336 PolarHBondContact O-N 3.49Å; D333-K336 WeakPolarHBondContact OD2-CD 3.18Å; D333-K336 WeakPolarHBondContact OD2-CE 3.26Å; D333-K336 WeakPolarHBondContact OD2-CG 3.36Å; D333-Y337 PolarHBondContact O-N 3.41Å
334	A	82.8	Confident	82.7	Confident	19 Å²	19	63.8 Å²	63.8	16%	0.157	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-30.7	177.8	0	0	0	0	0	112.7	Y337 V338 L402	A334-Y337 PolarHBondContact O-N 3.46Å; A334-V338 WeakPolarHBondContact O-CG2 3.41Å; A334-V338 PolarHBondContact O-N 2.81Å; A334-L402 HydrophobicContact CB-CD2 4.34Å
335	D	85.5	Confident	83.2	Confident	38 Å²	38	58.7 Å²	58.7	20%	0.203	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-53.4	178.4	-169.3	3.9	0	0	0	111	D333 Y337 V338 C339 Y406 M409	D333-D335 PolarHBondContact O-N 3.22Å; D333-D335 VanDerWaalsContact OD1-CB 3.27Å; D333-D335 WeakPolarHBondContact OD1-CB 3.39Å; D333-D335 PolarHBondContact OD1-N 2.93Å; D333-D335 VanDerWaalsContact OD1-N 3.11Å; D335-Y337 PolarHBondContact O-N 3Å; D335-V338 PolarHBondContact O-N 3.28Å; D335-C339 WeakPolarHBondContact O-CB 3.49Å; D335-C339 PolarHBondContact O-N 2.9Å; D335-C339 PolarHBondContact OD1-SG 2.86Å; D335-Y406 HydrophobicContact CB-CD2 3.98Å; D335-Y406 HydrophobicContact CB-CE2 3.79Å; D335-Y406 WeakPolarHBondContact OD1-CE2 3.34Å; D335-Y406 PolarHBondContact OD1-OH 3.39Å; D335-M409 HydrophobicContact CB-CE 3.59Å
336	K	86.7	Confident	83.7	Confident	111 Å²	111	57.2 Å²	57.2	48%	0.483	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-36.8	179.2	-67.6	-178.1	-176.7	-178.4	0	111.5	I329 D333 R340	I329-K336 HydrophobicContact CG2-CD 3.47Å; I329-K336 VanDerWaalsContact CG2-CD 3.47Å; D333-K336 HydrophobicContact CB-CB 4.35Å; D333-K336 HydrophobicContact CB-CD 4.16Å; D333-K336 HydrophobicContact CB-CG 4.26Å; D333-K336 PolarHBondContact O-N 3.49Å; D333-K336 WeakPolarHBondContact OD2-CD 3.18Å; D333-K336 WeakPolarHBondContact OD2-CE 3.26Å; D333-K336 WeakPolarHBondContact OD2-CG 3.36Å; K336-R340 WeakPolarHBondContact O-CB 3.46Å; K336-R340 PolarHBondContact O-N 2.94Å; K336-R340 VanDerWaalsContact O-N 3.08Å
337	Y	87.1	Confident	84.3	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-61.9	-54.3	176.4	-178.5	-97.6	0	0	0	112.1	M330 D333 A334 D335 R340 L341 F380 C399 L402	M330-Y337 HydrophobicContact CB-CD2 4.06Å; M330-Y337 HydrophobicContact CE-CD2 3.49Å; M330-Y337 VanDerWaalsContact CE-CD2 3.49Å; M330-Y337 HydrophobicContact CE-CE2 4.17Å; M330-Y337 HydrophobicContact CE-CG 4.14Å; M330-Y337 HydrophobicContact CG-CD2 4.01Å; M330-Y337 HydrophobicContact SD-CD2 3.66Å; M330-Y337 HydrophobicContact SD-CE2 4.33Å; D333-Y337 PolarHBondContact O-N 3.41Å; A334-Y337 PolarHBondContact O-N 3.46Å; D335-Y337 PolarHBondContact O-N 3Å; Y337-R340 PolarHBondContact O-N 2.84Å; Y337-L341 HydrophobicContact CD1-CD1 4.09Å; Y337-L341 HydrophobicContact CE1-CD1 3.41Å; Y337-L341 VanDerWaalsContact CE1-CD1 3.41Å; Y337-L341 HydrophobicContact CE1-CG 4.25Å; Y337-L341 PolarHBondContact O-N 3.47Å; Y337-F380 HydrophobicContact CD2-CD2 4.18Å; Y337-F380 AromaticContact CD2-CE2 3.78Å; Y337-F380 HydrophobicContact CD2-CE2 3.78Å; Y337-F380 HydrophobicContact CD2-CZ 4.32Å; Y337-F380 AromaticContact CE2-CD2 3.5Å; Y337-F380 HydrophobicContact CE2-CD2 3.5Å; Y337-F380 VanDerWaalsContact CE2-CD2 3.5Å; Y337-F380 AromaticContact CE2-CE2 3.48Å; Y337-F380 HydrophobicContact CE2-CE2 3.48Å; Y337-F380 VanDerWaalsContact CE2-CE2 3.48Å; Y337-F380 HydrophobicContact CE2-CG 4.44Å; Y337-F380 HydrophobicContact CE2-CZ 4.41Å; Y337-C399 HydrophobicContact CE1-CB 4.24Å; Y337-L402 HydrophobicContact CD1-CB 3.77Å; Y337-L402 HydrophobicContact CD1-CD1 3.57Å; Y337-L402 HydrophobicContact CD1-CG 4.31Å; Y337-L402 HydrophobicContact CD2-CD1 3.92Å; Y337-L402 HydrophobicContact CE1-CB 4.11Å; Y337-L402 HydrophobicContact CE1-CD1 3.74Å; Y337-L402 HydrophobicContact CE2-CD1 4.11Å; Y337-L402 HydrophobicContact CG-CB 4.49Å; Y337-L402 HydrophobicContact CG-CD1 3.67Å
338	V	89.3	Confident	85.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-44.5	-178.9	-179.5	0	0	0	0	111.5	A334 D335 R340 L341 L342 L403 Y406 V432	A334-V338 WeakPolarHBondContact O-CG2 3.41Å; A334-V338 PolarHBondContact O-N 2.81Å; D335-V338 PolarHBondContact O-N 3.28Å; V338-R340 VanDerWaalsContact C-N 3.26Å; V338-R340 PolarHBondContact O-N 3.38Å; V338-L341 PolarHBondContact O-N 2.92Å; V338-L342 HydrophobicContact CG1-CD1 3.92Å; V338-L342 HydrophobicContact CG1-CG 4.37Å; V338-L342 WeakPolarHBondContact O-CG 3.45Å; V338-L342 PolarHBondContact O-N 2.96Å; V338-L403 HydrophobicContact CB-CD2 4.47Å; V338-L403 HydrophobicContact CG1-CD2 4.07Å; V338-L403 HydrophobicContact CG2-CD2 3.68Å; V338-Y406 HydrophobicContact CB-CD1 3.77Å; V338-Y406 HydrophobicContact CB-CE1 4.1Å; V338-Y406 HydrophobicContact CB-CG 4.22Å; V338-Y406 HydrophobicContact CG1-CD1 3.74Å; V338-Y406 HydrophobicContact CG1-CE1 3.86Å; V338-Y406 HydrophobicContact CG2-CD1 3.71Å; V338-Y406 HydrophobicContact CG2-CG 3.88Å; V338-V432 HydrophobicContact CG1-CG2 4.06Å
339	C	89.8	Confident	86.4	Confident	37 Å²	37	52 Å²	52	25%	0.25	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-37.7	177.3	-80.6	0	0	0	0	112.4	D335 L342 N343	D335-C339 WeakPolarHBondContact O-CB 3.49Å; D335-C339 PolarHBondContact O-N 2.9Å; D335-C339 PolarHBondContact OD1-SG 2.86Å; C339-L342 PolarHBondContact O-N 3.46Å; C339-N343 WeakPolarHBondContact O-CB 3.47Å; C339-N343 PolarHBondContact O-N 3.43Å; C339-N343 PolarHBondContact O-ND2 3.44Å; C339-N343 PolarHBondContact O-OD1 2.97Å
340	R	90.7	Very high	87.7	Confident	101 Å²	101	55.2 Å²	55.2	38%	0.381	26%	0.261	S	S	.	.	H	α-helix	trans	-68.7	-43.9	178.3	-159.6	71.3	175.5	-175.8	0.7	112.1	D322 M330 K336 Y337 V338 L342 N343 L344	D322-R340 IonicContact OD1-CZ 3.04Å; D322-R340 IonicContact OD1-NE 2.83Å; D322-R340 PolarHBondContact OD1-NE 2.92Å; D322-R340 IonicContact OD1-NH2 3.31Å; D322-R340 PolarHBondContact OD1-NH2 2.75Å; D322-R340 WeakPolarHBondContact OD2-CD 3.4Å; D322-R340 WeakPolarHBondContact OD2-CG 3.43Å; D322-R340 IonicContact OD2-CZ 3.59Å; D322-R340 IonicContact OD2-NE 3.87Å; D322-R340 PolarHBondContact OD2-NE 2.9Å; D322-R340 IonicContact OD2-NH2 2.7Å; M330-R340 HydrophobicContact CE-CB 3.38Å; M330-R340 HydrophobicContact CE-CG 3.82Å; K336-R340 WeakPolarHBondContact O-CB 3.46Å; K336-R340 PolarHBondContact O-N 2.94Å; K336-R340 VanDerWaalsContact O-N 3.08Å; Y337-R340 PolarHBondContact O-N 2.84Å; V338-R340 VanDerWaalsContact C-N 3.26Å; V338-R340 PolarHBondContact O-N 3.38Å; R340-L342 VanDerWaalsContact C-N 3.31Å; R340-L342 PolarHBondContact O-N 2.97Å; R340-N343 PolarHBondContact O-N 3.33Å; R340-L344 WeakPolarHBondContact O-CG 3.02Å; R340-L344 PolarHBondContact O-N 3.4Å
341	L	92.7	Very high	89	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-45.9	174.6	-72.8	-177.6	0	0	0	111.4	I323 Y337 V338 N343 L344 Y345 Y370 I373 V435	I323-L341 HydrophobicContact CD1-CD2 3.77Å; Y337-L341 HydrophobicContact CD1-CD1 4.09Å; Y337-L341 HydrophobicContact CE1-CD1 3.41Å; Y337-L341 VanDerWaalsContact CE1-CD1 3.41Å; Y337-L341 HydrophobicContact CE1-CG 4.25Å; Y337-L341 PolarHBondContact O-N 3.47Å; V338-L341 PolarHBondContact O-N 2.92Å; L341-N343 PolarHBondContact O-N 3.22Å; L341-L344 WeakPolarHBondContact O-CB 3.43Å; L341-L344 PolarHBondContact O-N 2.95Å; L341-Y345 PolarHBondContact O-N 3.21Å; L341-Y370 WeakPolarHBondContact O-CE2 3.49Å; L341-Y370 PolarHBondContact O-OH 3.3Å; L341-I373 HydrophobicContact CD2-CG2 4.23Å; L341-V435 HydrophobicContact CD1-CG1 3.95Å
342	L	93.3	Very high	90.5	Very high	20 Å²	20	50.7 Å²	50.7	11%	0.105	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.2	-71.7	169.4	0	0	0	112.5	V338 C339 R340 L344 Y345 V346 N431 L434 V435	V338-L342 HydrophobicContact CG1-CD1 3.92Å; V338-L342 HydrophobicContact CG1-CG 4.37Å; V338-L342 WeakPolarHBondContact O-CG 3.45Å; V338-L342 PolarHBondContact O-N 2.96Å; C339-L342 PolarHBondContact O-N 3.46Å; R340-L342 VanDerWaalsContact C-N 3.31Å; R340-L342 PolarHBondContact O-N 2.97Å; L342-L344 VanDerWaalsContact C-N 3.31Å; L342-L344 PolarHBondContact O-N 3.48Å; L342-Y345 PolarHBondContact O-N 3.45Å; L342-V346 WeakPolarHBondContact O-CG2 3.35Å; L342-V346 PolarHBondContact O-N 3.23Å; L342-N431 HydrophobicContact CD1-CB 3.62Å; L342-N431 HydrophobicContact CD2-CB 3.76Å; L342-N431 WeakPolarHBondContact CD2-O 3.09Å; L342-N431 HydrophobicContact CG-CB 4.35Å; L342-L434 HydrophobicContact CD2-CD2 4.47Å; L342-V435 HydrophobicContact CD2-CG2 3.55Å; L342-V435 HydrophobicContact CG-CG2 3.99Å
343	N	94.3	Very high	91.9	Very high	100 Å²	100	45 Å²	45	54%	0.535	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-39.4	177.4	-71.3	-16.7	0	0	0	111.6	C339 R340 L341 V346 R347	C339-N343 WeakPolarHBondContact O-CB 3.47Å; C339-N343 PolarHBondContact O-N 3.43Å; C339-N343 PolarHBondContact O-ND2 3.44Å; C339-N343 PolarHBondContact O-OD1 2.97Å; R340-N343 PolarHBondContact O-N 3.33Å; L341-N343 PolarHBondContact O-N 3.22Å; N343-V346 PolarHBondContact O-N 2.95Å; N343-R347 WeakPolarHBondContact O-CB 3.44Å; N343-R347 PolarHBondContact O-N 3.45Å
344	L	94.6	Very high	92.7	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-46.9	173.4	-70.7	171.6	0	0	0	111	D322 R340 L341 L342 V346 R347 F348 Y370	D322-L344 HydrophobicContact CB-CD2 4.36Å; R340-L344 WeakPolarHBondContact O-CG 3.02Å; R340-L344 PolarHBondContact O-N 3.4Å; L341-L344 WeakPolarHBondContact O-CB 3.43Å; L341-L344 PolarHBondContact O-N 2.95Å; L342-L344 VanDerWaalsContact C-N 3.31Å; L342-L344 PolarHBondContact O-N 3.48Å; L344-V346 PolarHBondContact O-N 3.49Å; L344-R347 PolarHBondContact O-N 2.95Å; L344-F348 HydrophobicContact CB-CD2 4.31Å; L344-F348 HydrophobicContact CB-CE2 4.01Å; L344-F348 HydrophobicContact CD2-CE2 3.91Å; L344-F348 HydrophobicContact CD2-CZ 4.12Å; L344-F348 WeakPolarHBondContact O-CD2 3.39Å; L344-F348 WeakPolarHBondContact O-CG 3.48Å; L344-F348 PolarHBondContact O-N 2.89Å; L344-Y370 HydrophobicContact CB-CE2 4.39Å
345	Y	95.9	Very high	93.3	Very high	38 Å²	38	44.6 Å²	44.6	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-47.7	177.4	-177.4	-94	0	0	0	112.2	L341 L342 S349 R366 Y370 L434 Y438	L341-Y345 PolarHBondContact O-N 3.21Å; L342-Y345 PolarHBondContact O-N 3.45Å; Y345-S349 WeakPolarHBondContact CE1-OG 3.47Å; Y345-S349 WeakPolarHBondContact O-CB 3.43Å; Y345-S349 PolarHBondContact O-N 3.44Å; Y345-S349 PolarHBondContact O-OG 3.35Å; Y345-R366 PolarHBondContact OH-NH1 3.18Å; Y345-R366 VanDerWaalsContact OH-NH1 3.13Å; Y345-Y370 AromaticContact CD2-CD1 3.89Å; Y345-Y370 HydrophobicContact CD2-CD1 3.89Å; Y345-Y370 HydrophobicContact CD2-CD2 4.28Å; Y345-Y370 AromaticContact CD2-CE1 3.91Å; Y345-Y370 HydrophobicContact CD2-CE1 3.91Å; Y345-Y370 HydrophobicContact CD2-CE2 4.31Å; Y345-Y370 HydrophobicContact CD2-CG 4.08Å; Y345-Y370 HydrophobicContact CG-CE2 4.5Å; Y345-L434 HydrophobicContact CD1-CD2 3.76Å; Y345-L434 HydrophobicContact CE1-CD1 4.27Å; Y345-L434 HydrophobicContact CE1-CD2 3.68Å; Y345-L434 HydrophobicContact CE1-CG 4.38Å; Y345-L434 HydrophobicContact CG-CD2 4.46Å; Y345-Y438 HydrophobicContact CD2-CE2 4.34Å; Y345-Y438 AromaticContact CE2-CE2 3.89Å; Y345-Y438 HydrophobicContact CE2-CE2 3.89Å; Y345-Y438 AromaticContact CE2-CZ 3.83Å; Y345-Y438 WeakPolarHBondContact CE2-OH 3.44Å
346	V	95.5	Very high	93.8	Very high	74 Å²	74	42.8 Å²	42.8	45%	0.448	20%	0.201	S	C	.	.	H	α-helix	trans	-64.6	-44.3	179.8	171.7	0	0	0	0	110.8	L342 N343 L344 S349 R350	L342-V346 WeakPolarHBondContact O-CG2 3.35Å; L342-V346 PolarHBondContact O-N 3.23Å; N343-V346 PolarHBondContact O-N 2.95Å; L344-V346 PolarHBondContact O-N 3.49Å; V346-S349 PolarHBondContact O-N 2.98Å; V346-R350 WeakPolarHBondContact O-CB 3.22Å; V346-R350 PolarHBondContact O-N 3.47Å
347	R	95.3	Very high	94.2	Very high	91 Å²	91	41.9 Å²	41.9	34%	0.343	20%	0.202	S	C	.	.	H	α-helix	trans	-58.5	-52.3	178.2	179.4	-178.4	177.1	-159.9	-5.2	111.3	E285 N343 L344 R350 M351	E285-R347 IonicContact OE1-CZ 2.8Å; E285-R347 IonicContact OE1-NE 3.68Å; E285-R347 PolarHBondContact OE1-NE 3.15Å; E285-R347 IonicContact OE1-NH2 3.75Å; E285-R347 PolarHBondContact OE1-NH2 2.89Å; N343-R347 WeakPolarHBondContact O-CB 3.44Å; N343-R347 PolarHBondContact O-N 3.45Å; L344-R347 PolarHBondContact O-N 2.95Å; R347-R350 PolarHBondContact O-N 3.43Å; R347-M351 PolarHBondContact O-N 3.49Å
348	F	96.1	Very high	94.5	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-71.4	-32.7	-179.1	-60.1	-48.7	0	0	0	112.7	Y314 I315 T318 L344 M351 V352 R366 I373	Y314-F348 HydrophobicContact CE1-CE1 4.04Å; I315-F348 HydrophobicContact CB-CD2 4.48Å; I315-F348 HydrophobicContact CB-CE2 4.47Å; I315-F348 HydrophobicContact CD1-CB 4.17Å; I315-F348 HydrophobicContact CD1-CG 4.31Å; I315-F348 HydrophobicContact CG1-CB 4.33Å; I315-F348 HydrophobicContact CG1-CD1 3.82Å; I315-F348 HydrophobicContact CG1-CD2 4.36Å; I315-F348 HydrophobicContact CG1-CE1 4.16Å; I315-F348 HydrophobicContact CG1-CG 3.93Å; I315-F348 HydrophobicContact CG2-CD2 3.63Å; I315-F348 HydrophobicContact CG2-CE2 3.72Å; I315-F348 HydrophobicContact CG2-CG 4.06Å; I315-F348 HydrophobicContact CG2-CZ 4.23Å; T318-F348 HydrophobicContact CG2-CE1 4.47Å; T318-F348 HydrophobicContact CG2-CZ 4.12Å; L344-F348 HydrophobicContact CB-CD2 4.31Å; L344-F348 HydrophobicContact CB-CE2 4.01Å; L344-F348 HydrophobicContact CD2-CE2 3.91Å; L344-F348 HydrophobicContact CD2-CZ 4.12Å; L344-F348 WeakPolarHBondContact O-CD2 3.39Å; L344-F348 WeakPolarHBondContact O-CG 3.48Å; L344-F348 PolarHBondContact O-N 2.89Å; F348-M351 PolarHBondContact O-N 3.42Å; F348-V352 WeakPolarHBondContact O-CG2 3.37Å; F348-V352 PolarHBondContact O-N 2.71Å; F348-R366 HydrophobicContact CB-CG 4.04Å; F348-I373 HydrophobicContact CE2-CD1 4.5Å
349	S	95.9	Very high	94.8	Very high	23 Å²	23	46.4 Å²	46.4	16%	0.161	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-39.6	173.9	-59	0	0	0	0	111.9	Y345 V346 V352 N353 R366	Y345-S349 WeakPolarHBondContact CE1-OG 3.47Å; Y345-S349 WeakPolarHBondContact O-CB 3.43Å; Y345-S349 PolarHBondContact O-N 3.44Å; Y345-S349 PolarHBondContact O-OG 3.35Å; V346-S349 PolarHBondContact O-N 2.98Å; S349-V352 PolarHBondContact O-N 2.84Å; S349-N353 WeakPolarHBondContact O-CB 3.49Å; S349-N353 PolarHBondContact O-N 3.13Å; S349-R366 WeakPolarHBondContact OG-CD 3.48Å; S349-R366 PolarHBondContact OG-NH1 3.49Å
350	R	96.4	Very high	95.1	Very high	156 Å²	156	48.7 Å²	48.7	59%	0.589	24%	0.24	S	C	*	.	H	α-helix	trans	-63.7	-44.3	173.5	-174.4	-176.7	-56.1	169.7	2.5	111.5	V346 R347 V352 N353 D354	V346-R350 WeakPolarHBondContact O-CB 3.22Å; V346-R350 PolarHBondContact O-N 3.47Å; R347-R350 PolarHBondContact O-N 3.43Å; R350-V352 VanDerWaalsContact C-N 3.3Å; R350-V352 PolarHBondContact O-N 2.79Å; R350-N353 WeakPolarHBondContact O-CB 3.43Å; R350-N353 PolarHBondContact O-N 2.56Å; R350-D354 VanDerWaalsContact CG-OD2 3.32Å; R350-D354 WeakPolarHBondContact CG-OD2 3.47Å; R350-D354 WeakPolarHBondContact O-CB 3.23Å; R350-D354 VanDerWaalsContact O-CG 3.26Å; R350-D354 PolarHBondContact O-N 2.99Å
351	M	95.9	Very high	95.3	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-45.4	175	-179.4	-179.6	-72.1	0	0	111.4	L282 E285 L311 Y314 R347 F348 N353 D354 A355	L282-M351 HydrophobicContact CD2-SD 3.79Å; E285-M351 HydrophobicContact CB-CE 4.44Å; E285-M351 HydrophobicContact CG-CE 4Å; L311-M351 HydrophobicContact CD1-SD 4.32Å; Y314-M351 HydrophobicContact CD1-SD 4.37Å; Y314-M351 HydrophobicContact CE1-CE 3.82Å; Y314-M351 HydrophobicContact CE1-SD 3.93Å; R347-M351 PolarHBondContact O-N 3.49Å; F348-M351 PolarHBondContact O-N 3.42Å; M351-N353 PolarHBondContact O-N 3.09Å; M351-D354 PolarHBondContact O-N 3.28Å; M351-A355 WeakPolarHBondContact O-CB 3.36Å; M351-A355 PolarHBondContact O-N 3.21Å
352	V	96.9	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-39.2	177.3	176.7	0	0	0	0	112.9	L311 F348 S349 R350 F356 N357 N358 F362 L363 R366	L311-V352 HydrophobicContact CD2-CG2 3.96Å; F348-V352 WeakPolarHBondContact O-CG2 3.37Å; F348-V352 PolarHBondContact O-N 2.71Å; S349-V352 PolarHBondContact O-N 2.84Å; R350-V352 VanDerWaalsContact C-N 3.3Å; R350-V352 PolarHBondContact O-N 2.79Å; V352-F356 HydrophobicContact CG1-CB 4.37Å; V352-F356 HydrophobicContact CG2-CD2 4.33Å; V352-F356 CarbonylContact O-C 3.54Å; V352-F356 WeakPolarHBondContact O-CA 3.5Å; V352-F356 WeakPolarHBondContact O-CB 3.16Å; V352-F356 PolarHBondContact O-N 3.36Å; V352-N357 PolarHBondContact O-N 2.91Å; V352-N358 PolarHBondContact O-N 2.94Å; V352-F362 HydrophobicContact CG1-CB 3.8Å; V352-L363 HydrophobicContact CB-CD2 4.4Å; V352-L363 HydrophobicContact CG1-CD2 3.75Å; V352-L363 HydrophobicContact CG1-CG 4.03Å; V352-R366 HydrophobicContact CG2-CB 4.08Å; V352-R366 HydrophobicContact CG2-CG 4.48Å
353	N	96.7	Very high	95.7	Very high	71 Å²	71	50.6 Å²	50.6	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-51.7	175.1	179.1	73.7	0	0	0	112	S349 R350 M351 N357 N358	S349-N353 WeakPolarHBondContact O-CB 3.49Å; S349-N353 PolarHBondContact O-N 3.13Å; R350-N353 WeakPolarHBondContact O-CB 3.43Å; R350-N353 PolarHBondContact O-N 2.56Å; M351-N353 PolarHBondContact O-N 3.09Å; N353-N357 WeakPolarHBondContact O-CA 3.45Å; N353-N357 PolarHBondContact O-N 2.94Å; N353-N358 WeakPolarHBondContact CA-OD1 3.49Å; N353-N358 WeakPolarHBondContact CB-OD1 3.42Å; N353-N358 PolarHBondContact OD1-ND2 2.83Å; N353-N358 PolarHBondContact OD1-OD1 3.24Å
354	D	95.8	Very high	95.8	Very high	58 Å²	58	50.1 Å²	50.1	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-79.4	-35.1	-169	-62	-9	0	0	0	112.4	T287 R350 M351	T287-D354 HydrophobicContact CG2-CB 3.88Å; R350-D354 VanDerWaalsContact CG-OD2 3.32Å; R350-D354 WeakPolarHBondContact CG-OD2 3.47Å; R350-D354 WeakPolarHBondContact O-CB 3.23Å; R350-D354 VanDerWaalsContact O-CG 3.26Å; R350-D354 PolarHBondContact O-N 2.99Å; M351-D354 PolarHBondContact O-N 3.28Å
355	A	95.5	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-95.5	-32.7	-176.5	0	0	0	0	0	114.1	T287 L290 R291 M351	T287-A355 HydrophobicContact CG2-CB 4.39Å; L290-A355 HydrophobicContact CB-CB 3.63Å; L290-A355 HydrophobicContact CD1-CB 4.17Å; R291-A355 VanDerWaalsContact CA-O 3.24Å; R291-A355 WeakPolarHBondContact CA-O 3.22Å; M351-A355 WeakPolarHBondContact O-CB 3.36Å; M351-A355 PolarHBondContact O-N 3.21Å
356	F	96.3	Very high	96	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-120.7	17	-171.5	-52.7	-64.5	0	0	0	112.6	L282 L290 Y294 L307 L311 V352 N358 D359 F362	L282-F356 HydrophobicContact CD2-CZ 4.45Å; L290-F356 HydrophobicContact CB-CZ 4.44Å; L290-F356 HydrophobicContact CD2-CZ 4.38Å; Y294-F356 AromaticContact CD2-CD1 3.94Å; Y294-F356 HydrophobicContact CD2-CD1 3.94Å; Y294-F356 AromaticContact CG-CD1 3.94Å; Y294-F356 HydrophobicContact CG-CD1 3.94Å; L307-F356 HydrophobicContact CD2-CE1 4.35Å; L311-F356 HydrophobicContact CD1-CE2 4Å; L311-F356 HydrophobicContact CD2-CD2 4.09Å; L311-F356 HydrophobicContact CD2-CE2 3.87Å; L311-F356 HydrophobicContact CG-CE2 4.47Å; V352-F356 HydrophobicContact CG1-CB 4.37Å; V352-F356 HydrophobicContact CG2-CD2 4.33Å; V352-F356 CarbonylContact O-C 3.54Å; V352-F356 WeakPolarHBondContact O-CA 3.5Å; V352-F356 WeakPolarHBondContact O-CB 3.16Å; V352-F356 PolarHBondContact O-N 3.36Å; F356-N358 PolarHBondContact O-N 3.26Å; F356-N358 VanDerWaalsContact O-N 3.11Å; F356-D359 WeakPolarHBondContact O-CB 3.46Å; F356-D359 PolarHBondContact O-N 3.39Å; F356-F362 HydrophobicContact CB-CB 4.05Å; F356-F362 HydrophobicContact CB-CD1 3.83Å; F356-F362 HydrophobicContact CB-CD2 4.31Å; F356-F362 HydrophobicContact CB-CE1 4.39Å; F356-F362 HydrophobicContact CB-CG 3.79Å; F356-F362 AromaticContact CD1-CD1 3.62Å; F356-F362 HydrophobicContact CD1-CD1 3.62Å; F356-F362 AromaticContact CD1-CE1 3.42Å; F356-F362 HydrophobicContact CD1-CE1 3.42Å; F356-F362 VanDerWaalsContact CD1-CE1 3.42Å; F356-F362 HydrophobicContact CD1-CG 4.35Å; F356-F362 AromaticContact CD1-CZ 4Å; F356-F362 HydrophobicContact CD1-CZ 4Å; F356-F362 HydrophobicContact CD2-CB 4.49Å; F356-F362 AromaticContact CD2-CD1 3.56Å; F356-F362 HydrophobicContact CD2-CD1 3.56Å; F356-F362 HydrophobicContact CD2-CE1 4.13Å; F356-F362 HydrophobicContact CD2-CG 4.27Å; F356-F362 HydrophobicContact CE1-CD1 4.07Å; F356-F362 AromaticContact CE1-CE1 3.62Å; F356-F362 HydrophobicContact CE1-CE1 3.62Å; F356-F362 HydrophobicContact CE1-CZ 4.4Å; F356-F362 HydrophobicContact CE2-CD1 4.04Å; F356-F362 HydrophobicContact CE2-CE1 4.33Å; F356-F362 HydrophobicContact CG-CB 4.39Å; F356-F362 AromaticContact CG-CD1 3.37Å; F356-F362 HydrophobicContact CG-CD1 3.37Å; F356-F362 AromaticContact CG-CE1 3.72Å; F356-F362 HydrophobicContact CG-CE1 3.72Å; F356-F362 AromaticContact CG-CG 3.89Å; F356-F362 HydrophobicContact CG-CG 3.89Å; F356-F362 HydrophobicContact CG-CZ 4.48Å; F356-F362 HydrophobicContact CZ-CD1 4.28Å; F356-F362 HydrophobicContact CZ-CE1 4.1Å
357	N	94.1	Very high	96	Very high	92 Å²	92	47.3 Å²	47.3	49%	0.492	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	32.9	175.1	-62.6	-31.3	0	0	0	114.5	Y294 V352 N353 D359	Y294-N357 HydrophobicContact CE1-CB 4.42Å; V352-N357 PolarHBondContact O-N 2.91Å; N353-N357 WeakPolarHBondContact O-CA 3.45Å; N353-N357 PolarHBondContact O-N 2.94Å; N357-D359 PolarHBondContact O-N 3.43Å
358	N	94.1	Very high	96.1	Very high	73 Å²	73	48 Å²	48	39%	0.39	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	35.1	-172.6	-74.5	-33.4	0	0	0	114.2	V352 N353 F356 L363	V352-N358 PolarHBondContact O-N 2.94Å; N353-N358 WeakPolarHBondContact CA-OD1 3.49Å; N353-N358 WeakPolarHBondContact CB-OD1 3.42Å; N353-N358 PolarHBondContact OD1-ND2 2.83Å; N353-N358 PolarHBondContact OD1-OD1 3.24Å; F356-N358 PolarHBondContact O-N 3.26Å; F356-N358 VanDerWaalsContact O-N 3.11Å; N358-L363 HydrophobicContact CB-CD1 4.37Å
359	D	95.2	Very high	96.1	Very high	24 Å²	24	48 Å²	48	13%	0.128	25%	0.245	C	C	.	.			trans	-56.7	129.9	174	-175.6	-74.5	0	0	0	110.8	Y294 F356 N357 H361 F362 L363	Y294-D359 HydrophobicContact CE2-CB 4.43Å; Y294-D359 PolarHBondContact OH-OD2 3.09Å; F356-D359 WeakPolarHBondContact O-CB 3.46Å; F356-D359 PolarHBondContact O-N 3.39Å; N357-D359 PolarHBondContact O-N 3.43Å; D359-H361 PolarHBondContact O-N 3.22Å; D359-H361 WeakPolarHBondContact OD1-CA 3.35Å; D359-H361 VanDerWaalsContact OD1-CB 3.23Å; D359-H361 WeakPolarHBondContact OD1-CB 3.3Å; D359-H361 IonicContact OD1-CG 2.65Å; D359-H361 PolarHBondContact OD1-N 3.13Å; D359-H361 IonicContact OD1-ND1 2.66Å; D359-H361 PolarHBondContact OD1-ND1 3.29Å; D359-H361 IonicContact OD2-ND1 3.58Å; D359-F362 HydrophobicContact CB-CB 4.42Å; D359-F362 HydrophobicContact CB-CD2 3.73Å; D359-F362 HydrophobicContact CB-CG 4.44Å; D359-F362 PolarHBondContact O-N 3Å; D359-F362 VanDerWaalsContact O-N 3.09Å; D359-L363 PolarHBondContact O-N 2.85Å
360	P	96	Very high	96.1	Very high	85 Å²	85	46.9 Å²	46.9	55%	0.552	24%	0.237	S	C	*	.	H	α-helix	trans	-57	-32.9	-177.5	-26.9	34.9	0	0	0	114.6	L363 T364	P360-L363 PolarHBondContact O-N 3.42Å; P360-T364 WeakPolarHBondContact O-CB 3.49Å; P360-T364 PolarHBondContact O-N 3.25Å; P360-T364 PolarHBondContact O-OG1 2.97Å
361	H	95.5	Very high	96	Very high	114 Å²	114	42.9 Å²	42.9	53%	0.528	23%	0.225	S	C	.	.	H	α-helix	trans	-68.4	-40.9	178.6	-51.8	89.3	0	0	0	110.3	L308 D359 T364 A365	L308-H361 HydrophobicContact CD1-CB 3.9Å; L308-H361 HydrophobicContact CD2-CB 3.97Å; D359-H361 PolarHBondContact O-N 3.22Å; D359-H361 WeakPolarHBondContact OD1-CA 3.35Å; D359-H361 VanDerWaalsContact OD1-CB 3.23Å; D359-H361 WeakPolarHBondContact OD1-CB 3.3Å; D359-H361 IonicContact OD1-CG 2.65Å; D359-H361 PolarHBondContact OD1-N 3.13Å; D359-H361 IonicContact OD1-ND1 2.66Å; D359-H361 PolarHBondContact OD1-ND1 3.29Å; D359-H361 IonicContact OD2-ND1 3.58Å; H361-T364 WeakPolarHBondContact O-CB 3.3Å; H361-T364 PolarHBondContact O-N 3.46Å; H361-A365 PolarHBondContact O-N 3.4Å
362	F	96.9	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.1	-35.9	177.3	-72.7	-101	0	0	0	112.2	Y294 I304 L307 L308 L311 V352 F356 D359 T364 A365 R366	Y294-F362 AromaticContact CD2-CE2 3.88Å; Y294-F362 HydrophobicContact CD2-CE2 3.88Å; Y294-F362 AromaticContact CD2-CZ 3.89Å; Y294-F362 HydrophobicContact CD2-CZ 3.89Å; Y294-F362 HydrophobicContact CE2-CD2 4.27Å; Y294-F362 AromaticContact CE2-CE2 3.64Å; Y294-F362 HydrophobicContact CE2-CE2 3.64Å; Y294-F362 HydrophobicContact CE2-CZ 4.14Å; I304-F362 HydrophobicContact CD1-CE2 4.09Å; I304-F362 HydrophobicContact CG1-CE2 4Å; I304-F362 HydrophobicContact CG1-CZ 4.21Å; L307-F362 HydrophobicContact CB-CZ 4.44Å; L307-F362 HydrophobicContact CD2-CE1 4.1Å; L307-F362 HydrophobicContact CD2-CZ 3.76Å; L307-F362 HydrophobicContact CG-CE1 3.88Å; L307-F362 HydrophobicContact CG-CZ 3.87Å; L308-F362 HydrophobicContact CD2-CB 4.31Å; L308-F362 HydrophobicContact CD2-CD1 3.86Å; L308-F362 HydrophobicContact CD2-CD2 3.6Å; L308-F362 HydrophobicContact CD2-CE1 3.99Å; L308-F362 HydrophobicContact CD2-CE2 3.74Å; L308-F362 HydrophobicContact CD2-CG 3.66Å; L308-F362 HydrophobicContact CD2-CZ 3.92Å; L308-F362 HydrophobicContact CG-CE2 4.39Å; L308-F362 HydrophobicContact CG-CZ 4.39Å; L311-F362 HydrophobicContact CD2-CB 4.35Å; L311-F362 HydrophobicContact CD2-CD1 3.65Å; L311-F362 HydrophobicContact CD2-CE1 4.48Å; L311-F362 HydrophobicContact CD2-CG 4.48Å; V352-F362 HydrophobicContact CG1-CB 3.8Å; F356-F362 HydrophobicContact CB-CB 4.05Å; F356-F362 HydrophobicContact CB-CD1 3.83Å; F356-F362 HydrophobicContact CB-CD2 4.31Å; F356-F362 HydrophobicContact CB-CE1 4.39Å; F356-F362 HydrophobicContact CB-CG 3.79Å; F356-F362 AromaticContact CD1-CD1 3.62Å; F356-F362 HydrophobicContact CD1-CD1 3.62Å; F356-F362 AromaticContact CD1-CE1 3.42Å; F356-F362 HydrophobicContact CD1-CE1 3.42Å; F356-F362 VanDerWaalsContact CD1-CE1 3.42Å; F356-F362 HydrophobicContact CD1-CG 4.35Å; F356-F362 AromaticContact CD1-CZ 4Å; F356-F362 HydrophobicContact CD1-CZ 4Å; F356-F362 HydrophobicContact CD2-CB 4.49Å; F356-F362 AromaticContact CD2-CD1 3.56Å; F356-F362 HydrophobicContact CD2-CD1 3.56Å; F356-F362 HydrophobicContact CD2-CE1 4.13Å; F356-F362 HydrophobicContact CD2-CG 4.27Å; F356-F362 HydrophobicContact CE1-CD1 4.07Å; F356-F362 AromaticContact CE1-CE1 3.62Å; F356-F362 HydrophobicContact CE1-CE1 3.62Å; F356-F362 HydrophobicContact CE1-CZ 4.4Å; F356-F362 HydrophobicContact CE2-CD1 4.04Å; F356-F362 HydrophobicContact CE2-CE1 4.33Å; F356-F362 HydrophobicContact CG-CB 4.39Å; F356-F362 AromaticContact CG-CD1 3.37Å; F356-F362 HydrophobicContact CG-CD1 3.37Å; F356-F362 AromaticContact CG-CE1 3.72Å; F356-F362 HydrophobicContact CG-CE1 3.72Å; F356-F362 AromaticContact CG-CG 3.89Å; F356-F362 HydrophobicContact CG-CG 3.89Å; F356-F362 HydrophobicContact CG-CZ 4.48Å; F356-F362 HydrophobicContact CZ-CD1 4.28Å; F356-F362 HydrophobicContact CZ-CE1 4.1Å; D359-F362 HydrophobicContact CB-CB 4.42Å; D359-F362 HydrophobicContact CB-CD2 3.73Å; D359-F362 HydrophobicContact CB-CG 4.44Å; D359-F362 PolarHBondContact O-N 3Å; D359-F362 VanDerWaalsContact O-N 3.09Å; F362-T364 VanDerWaalsContact C-N 3.29Å; F362-T364 PolarHBondContact O-N 2.75Å; F362-A365 PolarHBondContact O-N 3.42Å; F362-R366 WeakPolarHBondContact O-CB 3.09Å; F362-R366 PolarHBondContact O-N 2.89Å
363	L	96.9	Very high	95.6	Very high	47 Å²	47	45.9 Å²	45.9	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-38.5	171.4	-71.2	173	0	0	0	111.9	V352 N358 D359 P360 R366 D367	V352-L363 HydrophobicContact CB-CD2 4.4Å; V352-L363 HydrophobicContact CG1-CD2 3.75Å; V352-L363 HydrophobicContact CG1-CG 4.03Å; N358-L363 HydrophobicContact CB-CD1 4.37Å; D359-L363 PolarHBondContact O-N 2.85Å; P360-L363 PolarHBondContact O-N 3.42Å; L363-R366 PolarHBondContact O-NE 2.88Å; L363-R366 PolarHBondContact O-NH2 3.2Å; L363-R366 VanDerWaalsContact O-NH2 3.16Å; L363-D367 WeakPolarHBondContact O-CB 3.48Å; L363-D367 PolarHBondContact O-N 3.11Å
364	T	96.8	Very high	95.4	Very high	91 Å²	91	42.5 Å²	42.5	56%	0.558	22%	0.224	S	C	*	.	H	α-helix	trans	-68.5	-43.7	175.7	-56.7	0	0	0	0	111.4	P360 H361 F362 R366 D367 K368	P360-T364 WeakPolarHBondContact O-CB 3.49Å; P360-T364 PolarHBondContact O-N 3.25Å; P360-T364 PolarHBondContact O-OG1 2.97Å; H361-T364 WeakPolarHBondContact O-CB 3.3Å; H361-T364 PolarHBondContact O-N 3.46Å; F362-T364 VanDerWaalsContact C-N 3.29Å; F362-T364 PolarHBondContact O-N 2.75Å; T364-R366 VanDerWaalsContact C-N 3.34Å; T364-R366 PolarHBondContact O-N 3.38Å; T364-D367 PolarHBondContact O-N 2.85Å; T364-K368 WeakPolarHBondContact O-CB 3.45Å; T364-K368 PolarHBondContact O-N 3.32Å
365	A	96.7	Very high	95.2	Very high	6 Å²	6	41 Å²	41	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-43.2	174.7	0	0	0	0	0	111.6	L308 H361 F362 K368 A369	L308-A365 HydrophobicContact CD2-CB 4.03Å; H361-A365 PolarHBondContact O-N 3.4Å; F362-A365 PolarHBondContact O-N 3.42Å; A365-K368 PolarHBondContact O-N 2.85Å; A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 3.48Å
366	R	97.2	Very high	94.6	Very high	15 Å²	15	43.1 Å²	43.1	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-44.9	172.4	176.7	-128.9	49.9	-165	-17.5	111.8	I315 Y345 F348 S349 V352 F362 L363 T364 A369 Y370	I315-R366 HydrophobicContact CD1-CB 3.82Å; I315-R366 HydrophobicContact CD1-CG 3.93Å; Y345-R366 PolarHBondContact OH-NH1 3.18Å; Y345-R366 VanDerWaalsContact OH-NH1 3.13Å; F348-R366 HydrophobicContact CB-CG 4.04Å; S349-R366 WeakPolarHBondContact OG-CD 3.48Å; S349-R366 PolarHBondContact OG-NH1 3.49Å; V352-R366 HydrophobicContact CG2-CB 4.08Å; V352-R366 HydrophobicContact CG2-CG 4.48Å; F362-R366 WeakPolarHBondContact O-CB 3.09Å; F362-R366 PolarHBondContact O-N 2.89Å; L363-R366 PolarHBondContact O-NE 2.88Å; L363-R366 PolarHBondContact O-NH2 3.2Å; L363-R366 VanDerWaalsContact O-NH2 3.16Å; T364-R366 VanDerWaalsContact C-N 3.34Å; T364-R366 PolarHBondContact O-N 3.38Å; R366-A369 PolarHBondContact O-N 3.41Å; R366-Y370 WeakPolarHBondContact O-CB 3.37Å; R366-Y370 PolarHBondContact O-N 2.87Å
367	D	96.8	Very high	93.8	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.203	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-44.1	178.1	-82	-22.9	0	0	0	112.4	L363 T364 Y370 Q371 Y438	L363-D367 WeakPolarHBondContact O-CB 3.48Å; L363-D367 PolarHBondContact O-N 3.11Å; T364-D367 PolarHBondContact O-N 2.85Å; D367-Y370 PolarHBondContact O-N 3.23Å; D367-Q371 VanDerWaalsContact O-CB 3.29Å; D367-Q371 WeakPolarHBondContact O-CB 3.35Å; D367-Q371 PolarHBondContact O-N 3.08Å; D367-Y438 HydrophobicContact CB-CE1 3.88Å; D367-Y438 WeakPolarHBondContact OD1-CE1 3.18Å; D367-Y438 VanDerWaalsContact OD1-CZ 3.22Å; D367-Y438 PolarHBondContact OD1-OH 3.17Å
368	K	95.5	Very high	92.6	Very high	105 Å²	105	44.2 Å²	44.2	46%	0.457	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-50.1	177.3	-175.9	179.4	168.3	-141.7	0	111.4	E312 T364 A365 Y370 Q371 D372	E312-K368 WeakPolarHBondContact OE1-CD 3.17Å; E312-K368 WeakPolarHBondContact OE1-CE 3.37Å; E312-K368 IonicContact OE1-NZ 3.55Å; E312-K368 PolarHBondContact OE1-NZ 3.44Å; E312-K368 IonicContact OE2-NZ 3.67Å; E312-K368 PolarHBondContact OE2-NZ 3.28Å; T364-K368 WeakPolarHBondContact O-CB 3.45Å; T364-K368 PolarHBondContact O-N 3.32Å; A365-K368 PolarHBondContact O-N 2.85Å; K368-Y370 VanDerWaalsContact C-N 3.33Å; K368-Y370 PolarHBondContact O-N 3.03Å; K368-Q371 WeakPolarHBondContact O-CB 3.44Å; K368-Q371 PolarHBondContact O-N 2.99Å; K368-D372 PolarHBondContact O-N 3.27Å
369	A	96.3	Very high	91	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-39.6	176.9	0	0	0	0	0	112.4	E312 I315 R316 A365 R366 D372 I373	E312-A369 HydrophobicContact CG-CB 3.86Å; E312-A369 WeakPolarHBondContact O-CB 3.37Å; I315-A369 HydrophobicContact CB-CB 3.71Å; I315-A369 HydrophobicContact CG2-CB 3.46Å; I315-A369 VanDerWaalsContact CG2-CB 3.46Å; R316-A369 HydrophobicContact CB-CB 4.46Å; A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 3.48Å; R366-A369 PolarHBondContact O-N 3.41Å; A369-D372 WeakPolarHBondContact O-CB 3.27Å; A369-D372 PolarHBondContact O-N 3.18Å; A369-I373 WeakPolarHBondContact O-CD1 3.44Å; A369-I373 VanDerWaalsContact O-CG1 3.3Å; A369-I373 WeakPolarHBondContact O-CG1 3.35Å; A369-I373 PolarHBondContact O-N 3.02Å; A369-I373 VanDerWaalsContact O-N 3.09Å
370	Y	96.5	Very high	89.5	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-38.7	176.9	-171.7	-101.2	0	0	0	112.1	L341 L344 Y345 R366 D367 K368 D372 I373 V374 Y438	L341-Y370 WeakPolarHBondContact O-CE2 3.49Å; L341-Y370 PolarHBondContact O-OH 3.3Å; L344-Y370 HydrophobicContact CB-CE2 4.39Å; Y345-Y370 AromaticContact CD2-CD1 3.89Å; Y345-Y370 HydrophobicContact CD2-CD1 3.89Å; Y345-Y370 HydrophobicContact CD2-CD2 4.28Å; Y345-Y370 AromaticContact CD2-CE1 3.91Å; Y345-Y370 HydrophobicContact CD2-CE1 3.91Å; Y345-Y370 HydrophobicContact CD2-CE2 4.31Å; Y345-Y370 HydrophobicContact CD2-CG 4.08Å; Y345-Y370 HydrophobicContact CG-CE2 4.5Å; R366-Y370 WeakPolarHBondContact O-CB 3.37Å; R366-Y370 PolarHBondContact O-N 2.87Å; D367-Y370 PolarHBondContact O-N 3.23Å; K368-Y370 VanDerWaalsContact C-N 3.33Å; K368-Y370 PolarHBondContact O-N 3.03Å; Y370-D372 VanDerWaalsContact C-N 3.31Å; Y370-D372 PolarHBondContact O-N 3.31Å; Y370-I373 WeakPolarHBondContact O-CB 3.36Å; Y370-I373 PolarHBondContact O-N 2.58Å; Y370-V374 HydrophobicContact CD1-CG2 3.96Å; Y370-V374 HydrophobicContact CE1-CG2 3.54Å; Y370-V374 HydrophobicContact CE2-CG2 4.44Å; Y370-V374 WeakPolarHBondContact O-CG2 3.5Å; Y370-V374 PolarHBondContact O-N 3.26Å; Y370-Y438 HydrophobicContact CD1-CD1 4.05Å; Y370-Y438 AromaticContact CD1-CD2 3.67Å; Y370-Y438 HydrophobicContact CD1-CD2 3.67Å; Y370-Y438 HydrophobicContact CD1-CE1 4.39Å; Y370-Y438 HydrophobicContact CD1-CE2 4.06Å; Y370-Y438 AromaticContact CD1-CG 3.67Å; Y370-Y438 HydrophobicContact CD1-CG 3.67Å; Y370-Y438 AromaticContact CE1-CD2 3.66Å; Y370-Y438 HydrophobicContact CE1-CD2 3.66Å; Y370-Y438 HydrophobicContact CE1-CE2 4.17Å; Y370-Y438 HydrophobicContact CE1-CG 4.03Å
371	Q	94.6	Very high	88	Confident	72 Å²	72	40.2 Å²	40.2	34%	0.336	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-41.3	171.9	-174.6	168.7	3.9	0	0	111.5	D367 K368 I373 V374 N375 Y438 N440	D367-Q371 VanDerWaalsContact O-CB 3.29Å; D367-Q371 WeakPolarHBondContact O-CB 3.35Å; D367-Q371 PolarHBondContact O-N 3.08Å; K368-Q371 WeakPolarHBondContact O-CB 3.44Å; K368-Q371 PolarHBondContact O-N 2.99Å; Q371-I373 VanDerWaalsContact C-N 3.31Å; Q371-I373 PolarHBondContact O-N 2.92Å; Q371-V374 PolarHBondContact O-N 3Å; Q371-N375 VanDerWaalsContact CG-ND2 3.33Å; Q371-N375 WeakPolarHBondContact CG-ND2 3.18Å; Q371-N375 WeakPolarHBondContact O-CB 3.38Å; Q371-N375 PolarHBondContact O-N 3.48Å; Q371-N375 PolarHBondContact O-ND2 3.42Å; Q371-Y438 HydrophobicContact CB-CD1 4.27Å; Q371-Y438 WeakPolarHBondContact CG-O 3.43Å; Q371-N440 PolarHBondContact NE2-OD1 3.12Å
372	D	92.4	Very high	86.2	Confident	69 Å²	69	35.3 Å²	35.3	37%	0.369	19%	0.194	S	C	.	.	H	α-helix	trans	-63.5	-36.4	175.7	-75.5	-11.6	0	0	0	112.7	R316 K368 A369 Y370 N376	R316-D372 HydrophobicContact CG-CB 4.42Å; K368-D372 PolarHBondContact O-N 3.27Å; A369-D372 WeakPolarHBondContact O-CB 3.27Å; A369-D372 PolarHBondContact O-N 3.18Å; Y370-D372 VanDerWaalsContact C-N 3.31Å; Y370-D372 PolarHBondContact O-N 3.31Å; D372-N376 VanDerWaalsContact O-CB 3.3Å; D372-N376 WeakPolarHBondContact O-CB 3.44Å; D372-N376 PolarHBondContact O-N 3.26Å; D372-N376 VanDerWaalsContact O-N 3.13Å
373	I	92.5	Very high	84.3	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-50.4	175.6	-67.3	160.4	0	0	0	110.6	I315 L320 I323 L341 F348 A369 Y370 Q371 N375 N376	I315-I373 HydrophobicContact CG2-CD1 3.91Å; I315-I373 WeakPolarHBondContact O-CD1 3.49Å; L320-I373 HydrophobicContact CD2-CG1 4.49Å; L320-I373 HydrophobicContact CG-CG1 4.45Å; I323-I373 HydrophobicContact CD1-CG2 3.34Å; I323-I373 HydrophobicContact CG1-CG2 4.43Å; L341-I373 HydrophobicContact CD2-CG2 4.23Å; F348-I373 HydrophobicContact CE2-CD1 4.5Å; A369-I373 WeakPolarHBondContact O-CD1 3.44Å; A369-I373 VanDerWaalsContact O-CG1 3.3Å; A369-I373 WeakPolarHBondContact O-CG1 3.35Å; A369-I373 PolarHBondContact O-N 3.02Å; A369-I373 VanDerWaalsContact O-N 3.09Å; Y370-I373 WeakPolarHBondContact O-CB 3.36Å; Y370-I373 PolarHBondContact O-N 2.58Å; Q371-I373 VanDerWaalsContact C-N 3.31Å; Q371-I373 PolarHBondContact O-N 2.92Å; I373-N375 VanDerWaalsContact C-N 3.31Å; I373-N375 PolarHBondContact O-N 3.16Å; I373-N376 WeakPolarHBondContact O-CB 3.11Å; I373-N376 PolarHBondContact O-N 2.78Å
374	V	92.2	Very high	82.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-37.7	-177.5	167.5	0	0	0	0	111.9	Y370 Q371 S397 C399 V435 V439	Y370-V374 HydrophobicContact CD1-CG2 3.96Å; Y370-V374 HydrophobicContact CE1-CG2 3.54Å; Y370-V374 HydrophobicContact CE2-CG2 4.44Å; Y370-V374 WeakPolarHBondContact O-CG2 3.5Å; Y370-V374 PolarHBondContact O-N 3.26Å; Q371-V374 PolarHBondContact O-N 3Å; V374-S397 PolarHBondContact O-OG 3.4Å; V374-C399 WeakPolarHBondContact O-CB 3.36Å; V374-V435 HydrophobicContact CG1-CG1 4.41Å; V374-V435 HydrophobicContact CG2-CG1 4.13Å; V374-V439 HydrophobicContact CG1-CB 4.5Å; V374-V439 HydrophobicContact CG1-CG2 3.61Å
375	N	90.5	Very high	80.5	Confident	27 Å²	27	37.1 Å²	37.1	14%	0.144	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.1	-178.6	-62.1	-67.2	0	0	0	113.6	Q371 I373 Y438 N440	Q371-N375 VanDerWaalsContact CG-ND2 3.33Å; Q371-N375 WeakPolarHBondContact CG-ND2 3.18Å; Q371-N375 WeakPolarHBondContact O-CB 3.38Å; Q371-N375 PolarHBondContact O-N 3.48Å; Q371-N375 PolarHBondContact O-ND2 3.42Å; I373-N375 VanDerWaalsContact C-N 3.31Å; I373-N375 PolarHBondContact O-N 3.16Å; N375-Y438 PolarHBondContact ND2-O 3.43Å; N375-N440 VanDerWaalsContact CG-CG 3.45Å; N375-N440 PolarHBondContact ND2-OD1 3.11Å; N375-N440 WeakPolarHBondContact OD1-CB 3.48Å; N375-N440 PolarHBondContact OD1-N 3.38Å
376	N	84	Confident	78.4	Confident	44 Å²	44	38.2 Å²	38.2	24%	0.235	20%	0.204	C	C	.	.			trans	-68.9	135.7	-177.7	-160	-89.6	0	0	0	112.1	L320 D372 I373 S378	L320-N376 HydrophobicContact CD2-CB 3.44Å; L320-N376 VanDerWaalsContact CD2-CB 3.44Å; L320-N376 WeakPolarHBondContact CD2-ND2 3.47Å; D372-N376 VanDerWaalsContact O-CB 3.3Å; D372-N376 WeakPolarHBondContact O-CB 3.44Å; D372-N376 PolarHBondContact O-N 3.26Å; D372-N376 VanDerWaalsContact O-N 3.13Å; I373-N376 WeakPolarHBondContact O-CB 3.11Å; I373-N376 PolarHBondContact O-N 2.78Å; N376-S378 WeakPolarHBondContact OD1-CA 3.34Å; N376-S378 WeakPolarHBondContact OD1-CB 3.37Å; N376-S378 PolarHBondContact OD1-N 2.95Å; N376-S378 PolarHBondContact OD1-OG 3.27Å
377	T	79.9	Confident	76.1	Confident	56 Å²	56	38.4 Å²	38.4	34%	0.344	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.3	-179.5	54.2	0	0	0	0	113.8	V379 V381 V395	T377-V379 PolarHBondContact O-N 3.02Å; T377-V381 WeakPolarHBondContact O-CG2 3.46Å; T377-V395 HydrophobicContact CG2-CG1 3.85Å
378	S	67.5	Low	73.9	Confident	59 Å²	59	40.4 Å²	40.4	41%	0.413	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.2	-174.8	69.6	0	0	0	0	114.7	R324 N376	R324-S378 PolarHBondContact NE-OG 3.28Å; R324-S378 VanDerWaalsContact NH2-CB 3.35Å; R324-S378 PolarHBondContact NH2-OG 3.14Å; N376-S378 WeakPolarHBondContact OD1-CA 3.34Å; N376-S378 WeakPolarHBondContact OD1-CB 3.37Å; N376-S378 PolarHBondContact OD1-N 2.95Å; N376-S378 PolarHBondContact OD1-OG 3.27Å
379	V	61.9	Low	71.5	Confident	36 Å²	36	41.3 Å²	41.3	22%	0.218	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-49.3	-179.2	-169	0	0	0	0	111.4	I323 R324 A327 T377	I323-V379 HydrophobicContact CG2-CB 3.99Å; I323-V379 HydrophobicContact CG2-CG1 4.12Å; I323-V379 HydrophobicContact CG2-CG2 3.93Å; R324-V379 HydrophobicContact CB-CG2 4.29Å; R324-V379 HydrophobicContact CG-CG2 3.32Å; A327-V379 HydrophobicContact CB-CG1 3.46Å; A327-V379 VanDerWaalsContact CB-CG1 3.46Å; T377-V379 PolarHBondContact O-N 3.02Å
380	F	62.7	Low	69.1	Low	6 Å²	6	42.9 Å²	42.9	3%	0.026	25%	0.251	C	S	.	.			trans	-121.9	103.4	-172.9	-63.1	-65.2	0	0	0	110.7	I323 A327 M330 L331 Y337 R398	I323-F380 HydrophobicContact CG2-CD2 3.9Å; I323-F380 HydrophobicContact CG2-CE2 3.59Å; A327-F380 HydrophobicContact CB-CZ 4.28Å; M330-F380 HydrophobicContact CB-CE1 4.25Å; M330-F380 HydrophobicContact CB-CE2 4.21Å; M330-F380 HydrophobicContact CB-CZ 3.5Å; M330-F380 VanDerWaalsContact CB-CZ 3.5Å; M330-F380 HydrophobicContact CG-CZ 4.45Å; M330-F380 HydrophobicContact SD-CE2 4.02Å; M330-F380 HydrophobicContact SD-CZ 4.15Å; L331-F380 HydrophobicContact CD2-CD1 3.9Å; L331-F380 HydrophobicContact CD2-CE1 3.69Å; L331-F380 HydrophobicContact CG-CE1 3.81Å; Y337-F380 HydrophobicContact CD2-CD2 4.18Å; Y337-F380 AromaticContact CD2-CE2 3.78Å; Y337-F380 HydrophobicContact CD2-CE2 3.78Å; Y337-F380 HydrophobicContact CD2-CZ 4.32Å; Y337-F380 AromaticContact CE2-CD2 3.5Å; Y337-F380 HydrophobicContact CE2-CD2 3.5Å; Y337-F380 VanDerWaalsContact CE2-CD2 3.5Å; Y337-F380 AromaticContact CE2-CE2 3.48Å; Y337-F380 HydrophobicContact CE2-CE2 3.48Å; Y337-F380 VanDerWaalsContact CE2-CE2 3.48Å; Y337-F380 HydrophobicContact CE2-CG 4.44Å; Y337-F380 HydrophobicContact CE2-CZ 4.41Å; F380-R398 HydrophobicContact CB-CB 3.97Å; F380-R398 PolarHBondContact O-N 2.9Å
381	V	63.9	Low	66.8	Low	56 Å²	56	47.4 Å²	47.4	34%	0.339	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.4	-177.3	174.9	0	0	0	0	110.5	T377 E383 V395	T377-V381 WeakPolarHBondContact O-CG2 3.46Å; V381-E383 HydrophobicContact CG1-CG 4.18Å; V381-V395 HydrophobicContact CB-CG1 3.89Å; V381-V395 HydrophobicContact CG1-CB 3.91Å; V381-V395 HydrophobicContact CG1-CG1 3.24Å; V381-V395 HydrophobicContact CG1-CG2 3.94Å; V381-V395 HydrophobicContact CG2-CG1 3.42Å; V381-V395 VanDerWaalsContact CG2-CG1 3.42Å
382	T	58.2	Low	64.7	Low	12 Å²	12	48.9 Å²	48.9	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.7	154.3	-66	0	0	0	0	107.6	I384 E396 R398 E401	T382-I384 HydrophobicContact CG2-CD1 4.42Å; T382-I384 HydrophobicContact CG2-CG1 3.92Å; T382-E396 PolarHBondContact N-O 3.13Å; T382-E396 PolarHBondContact O-N 3.21Å; T382-R398 WeakPolarHBondContact OG1-CA 3.48Å; T382-R398 WeakPolarHBondContact OG1-CB 3.33Å; T382-R398 WeakPolarHBondContact OG1-CG 3.45Å; T382-E401 WeakPolarHBondContact CG2-OE1 3.43Å; T382-E401 PolarHBondContact OG1-OE1 3Å
383	E	57.7	Low	62.9	Low	135 Å²	135	48 Å²	48	63%	0.631	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	125.8	171.5	-72.6	-173.5	-163.8	0	0	109.8	V381	V381-E383 HydrophobicContact CG1-CG 4.18Å
384	I	56.4	Low	61.5	Low	4 Å²	4	53 Å²	53	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.7	176.3	-54.1	176.6	0	0	0	106.9	T382 T386 S393 R394 E396 I444 V715	T382-I384 HydrophobicContact CG2-CD1 4.42Å; T382-I384 HydrophobicContact CG2-CG1 3.92Å; I384-T386 PolarHBondContact O-N 3.24Å; I384-S393 PolarHBondContact N-OG 2.67Å; I384-S393 PolarHBondContact O-OG 2.96Å; I384-R394 PolarHBondContact N-O 2.88Å; I384-R394 WeakPolarHBondContact O-CA 3.03Å; I384-R394 PolarHBondContact O-N 3.29Å; I384-E396 HydrophobicContact CD1-CB 4.09Å; I384-E396 HydrophobicContact CD1-CG 4.1Å; I384-E396 WeakPolarHBondContact CD1-OE2 3.49Å; I384-I444 HydrophobicContact CD1-CD1 3.4Å; I384-I444 HydrophobicContact CD1-CG1 4.03Å; I384-V715 HydrophobicContact CG2-CG2 3.56Å
385	P	56.5	Low	60.4	Low	36 Å²	36	56.3 Å²	56.3	23%	0.234	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	134.3	177.1	-26.2	34.9	0	0	0	111.4	M712 V715	P385-M712 HydrophobicContact CB-SD 3.39Å; P385-M712 WeakPolarHBondContact CB-SD 3.27Å; P385-M712 HydrophobicContact CG-CG 4.1Å; P385-M712 HydrophobicContact CG-SD 3.6Å; P385-V715 WeakPolarHBondContact O-CG2 3.47Å
386	T	52.8	Low	59.9	Low	29 Å²	29	55.8 Å²	55.8	18%	0.178	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-27.7	-178.4	48.3	0	0	0	0	113.5	I384 I392 R394	I384-T386 PolarHBondContact O-N 3.24Å; T386-I392 WeakPolarHBondContact CB-O 3.44Å; T386-I392 HydrophobicContact CG2-CG2 4.49Å; T386-I392 PolarHBondContact N-O 3.18Å; T386-I392 PolarHBondContact OG1-O 3.39Å; T386-R394 HydrophobicContact CG2-CB 3.42Å; T386-R394 VanDerWaalsContact CG2-CB 3.42Å; T386-R394 HydrophobicContact CG2-CG 3.63Å
387	S	49.7	Very low	59.6	Low	19 Å²	19	54 Å²	54	13%	0.133	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	154.6	-174.3	116.2	0	0	0	0	109.8	C389 S390	S387-C389 PolarHBondContact O-N 3.13Å; S387-C389 PolarHBondContact OG-N 3.39Å; S387-S390 WeakPolarHBondContact CB-OG 3.3Å; S387-S390 PolarHBondContact OG-N 2.74Å; S387-S390 VanDerWaalsContact OG-N 3.09Å; S387-S390 PolarHBondContact OG-OG 2.78Å
388	V	51.2	Low	59.8	Low	80 Å²	80	55.8 Å²	55.8	49%	0.485	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.8	176.6	-166.4	0	0	0	0	112.3	M712 E716	V388-M712 HydrophobicContact CB-CE 4.02Å; V388-M712 HydrophobicContact CG1-CE 3.9Å; V388-M712 HydrophobicContact CG2-CE 4.01Å; V388-E716 HydrophobicContact CG2-CG 4.31Å
389	C	43.4	Very low	60.8	Low	125 Å²	125	53 Å²	53	85%	0.845	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-4.5	-168.9	-60.6	0	0	0	0	114.8	S387	S387-C389 PolarHBondContact O-N 3.13Å; S387-C389 PolarHBondContact OG-N 3.39Å
390	S	47.4	Very low	62.2	Low	33 Å²	33	51.3 Å²	51.3	23%	0.231	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.5	-178.9	55.4	0	0	0	0	110	S387 I392	S387-S390 WeakPolarHBondContact CB-OG 3.3Å; S387-S390 PolarHBondContact OG-N 2.74Å; S387-S390 VanDerWaalsContact OG-N 3.09Å; S387-S390 PolarHBondContact OG-OG 2.78Å; S390-I392 PolarHBondContact O-N 3.41Å
391	G	47.5	Very low	63.4	Low	95 Å²	95	52.4 Å²	52.4	98%	0.979	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	30.4	178.7	0	0	0	0	0	115.6
392	I	50.5	Low	64.5	Low	103 Å²	103	50.5 Å²	50.5	53%	0.528	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.1	175.5	-58.4	170.2	0	0	0	106.5	T386 S390	T386-I392 WeakPolarHBondContact CB-O 3.44Å; T386-I392 HydrophobicContact CG2-CG2 4.49Å; T386-I392 PolarHBondContact N-O 3.18Å; T386-I392 PolarHBondContact OG1-O 3.39Å; S390-I392 PolarHBondContact O-N 3.41Å
393	S	55.7	Low	66.2	Low	50 Å²	50	50 Å²	50	35%	0.35	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.3	175.9	-159.7	0	0	0	0	110.4	I384	I384-S393 PolarHBondContact N-OG 2.67Å; I384-S393 PolarHBondContact O-OG 2.96Å
394	R	63.1	Low	67.9	Low	107 Å²	107	43.5 Å²	43.5	40%	0.404	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.2	173.4	-134.2	-179.2	171.2	-152	-5.5	108.7	I384 T386 E396 S756	I384-R394 PolarHBondContact N-O 2.88Å; I384-R394 WeakPolarHBondContact O-CA 3.03Å; I384-R394 PolarHBondContact O-N 3.29Å; T386-R394 HydrophobicContact CG2-CB 3.42Å; T386-R394 VanDerWaalsContact CG2-CB 3.42Å; T386-R394 HydrophobicContact CG2-CG 3.63Å; R394-E396 IonicContact NH1-OE1 2.84Å; R394-S756 VanDerWaalsContact NH2-CB 3.3Å
395	V	68.8	Low	69.5	Low	70 Å²	70	45.2 Å²	45.2	42%	0.424	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.2	175.6	171.3	0	0	0	0	107.3	T377 V381	T377-V395 HydrophobicContact CG2-CG1 3.85Å; V381-V395 HydrophobicContact CB-CG1 3.89Å; V381-V395 HydrophobicContact CG1-CB 3.91Å; V381-V395 HydrophobicContact CG1-CG1 3.24Å; V381-V395 HydrophobicContact CG1-CG2 3.94Å; V381-V395 HydrophobicContact CG2-CG1 3.42Å; V381-V395 VanDerWaalsContact CG2-CG1 3.42Å
396	E	78.5	Confident	71.2	Confident	16 Å²	16	43.6 Å²	43.6	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	162.8	170.4	-64.1	-163.9	170	0	0	110.3	T382 I384 R394 S441 I444 R718	T382-E396 PolarHBondContact N-O 3.13Å; T382-E396 PolarHBondContact O-N 3.21Å; I384-E396 HydrophobicContact CD1-CB 4.09Å; I384-E396 HydrophobicContact CD1-CG 4.1Å; I384-E396 WeakPolarHBondContact CD1-OE2 3.49Å; R394-E396 IonicContact NH1-OE1 2.84Å; E396-S441 WeakPolarHBondContact OE2-CB 3.12Å; E396-S441 PolarHBondContact OE2-OG 2.99Å; E396-I444 HydrophobicContact CB-CD1 4.47Å; E396-I444 WeakPolarHBondContact OE2-CD1 3.41Å; E396-R718 VanDerWaalsContact CD-NH1 3.27Å; E396-R718 IonicContact OE1-CZ 3.71Å; E396-R718 IonicContact OE1-NH1 2.89Å; E396-R718 PolarHBondContact OE1-NH1 3.02Å; E396-R718 IonicContact OE1-NH2 2.75Å; E396-R718 IonicContact OE2-CZ 3.61Å; E396-R718 IonicContact OE2-NH1 3.39Å; E396-R718 PolarHBondContact OE2-NH1 3.22Å; E396-R718 VanDerWaalsContact OE2-NH1 3.13Å; E396-R718 IonicContact OE2-NH2 3.4Å; E396-R718 PolarHBondContact OE2-NH2 2.95Å
397	S	79.4	Confident	73.2	Confident	7 Å²	7	42.2 Å²	42.2	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.7	178.4	171.5	0	0	0	0	110.3	V374 C399 P400	V374-S397 PolarHBondContact O-OG 3.4Å; S397-C399 PolarHBondContact O-N 3.17Å; S397-C399 WeakPolarHBondContact OG-CB 3.32Å; S397-C399 PolarHBondContact OG-N 3.15Å; S397-C399 VanDerWaalsContact OG-N 3.13Å; S397-P400 WeakPolarHBondContact O-CD 3.42Å
398	R	82.4	Confident	75.2	Confident	93 Å²	93	41.7 Å²	41.7	35%	0.351	25%	0.251	S	S	.	.	S	Bend	trans	-78.3	-3.7	172.8	-162.9	167.3	-175.6	-160	1.4	113.6	F380 T382 P400 E401 L402	F380-R398 HydrophobicContact CB-CB 3.97Å; F380-R398 PolarHBondContact O-N 2.9Å; T382-R398 WeakPolarHBondContact OG1-CA 3.48Å; T382-R398 WeakPolarHBondContact OG1-CB 3.33Å; T382-R398 WeakPolarHBondContact OG1-CG 3.45Å; R398-P400 VanDerWaalsContact C-N 3.34Å; R398-E401 HydrophobicContact CG-CB 4.18Å; R398-E401 HydrophobicContact CG-CG 4.25Å; R398-E401 WeakPolarHBondContact CG-OE2 3.4Å; R398-E401 IonicContact NE-OE2 3.23Å; R398-E401 PolarHBondContact NE-OE2 3.28Å; R398-E401 VanDerWaalsContact NE-OE2 3.11Å; R398-E401 PolarHBondContact O-N 3.11Å; R398-E401 VanDerWaalsContact O-N 3.09Å; R398-L402 PolarHBondContact O-N 3.15Å
399	C	89	Confident	77	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-48	-45.8	177.1	-172.2	0	0	0	0	114.2	Y337 V374 S397 E401 L402 L403	Y337-C399 HydrophobicContact CE1-CB 4.24Å; V374-C399 WeakPolarHBondContact O-CB 3.36Å; S397-C399 PolarHBondContact O-N 3.17Å; S397-C399 WeakPolarHBondContact OG-CB 3.32Å; S397-C399 PolarHBondContact OG-N 3.15Å; S397-C399 VanDerWaalsContact OG-N 3.13Å; C399-E401 VanDerWaalsContact C-N 3.29Å; C399-E401 PolarHBondContact O-N 3.01Å; C399-L402 PolarHBondContact O-N 3.24Å; C399-L403 VanDerWaalsContact O-CG 3.31Å; C399-L403 WeakPolarHBondContact O-CG 3.36Å; C399-L403 PolarHBondContact O-N 3.02Å
400	P	91.3	Very high	79.4	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-39	179.5	-12.6	23.3	0	0	0	112.8	S397 R398 A404 V439 S441 I444 F445	S397-P400 WeakPolarHBondContact O-CD 3.42Å; R398-P400 VanDerWaalsContact C-N 3.34Å; P400-A404 WeakPolarHBondContact O-CB 3.18Å; P400-A404 PolarHBondContact O-N 3.25Å; P400-V439 HydrophobicContact CB-CG1 4.14Å; P400-V439 HydrophobicContact CG-CG1 3.65Å; P400-S441 WeakPolarHBondContact CG-O 3.43Å; P400-I444 HydrophobicContact CB-CB 3.91Å; P400-I444 HydrophobicContact CB-CG2 4Å; P400-I444 HydrophobicContact CG-CB 4.19Å; P400-I444 HydrophobicContact CG-CD1 4.39Å; P400-I444 HydrophobicContact CG-CG2 4.38Å; P400-F445 HydrophobicContact CB-CB 3.84Å; P400-F445 WeakPolarHBondContact O-CD2 3.43Å
401	E	87.3	Confident	81.7	Confident	29 Å²	29	31.7 Å²	31.7	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-69.1	-40.8	179	-52.6	-175.1	176.4	0	0	111.9	T382 R398 C399 A404 S405 I444 R447 V448	T382-E401 WeakPolarHBondContact CG2-OE1 3.43Å; T382-E401 PolarHBondContact OG1-OE1 3Å; R398-E401 HydrophobicContact CG-CB 4.18Å; R398-E401 HydrophobicContact CG-CG 4.25Å; R398-E401 WeakPolarHBondContact CG-OE2 3.4Å; R398-E401 IonicContact NE-OE2 3.23Å; R398-E401 PolarHBondContact NE-OE2 3.28Å; R398-E401 VanDerWaalsContact NE-OE2 3.11Å; R398-E401 PolarHBondContact O-N 3.11Å; R398-E401 VanDerWaalsContact O-N 3.09Å; C399-E401 VanDerWaalsContact C-N 3.29Å; C399-E401 PolarHBondContact O-N 3.01Å; E401-A404 PolarHBondContact O-N 3.48Å; E401-S405 WeakPolarHBondContact O-CB 3.33Å; E401-S405 PolarHBondContact O-N 3.19Å; E401-S405 PolarHBondContact O-OG 3.29Å; E401-I444 HydrophobicContact CG-CG2 3.76Å; E401-R447 IonicContact OE1-NH2 3.55Å; E401-V448 HydrophobicContact CB-CG2 4.38Å; E401-V448 HydrophobicContact CG-CG2 4.07Å
402	L	88.3	Confident	83.8	Confident	16 Å²	16	30.6 Å²	30.6	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-67.7	-40.8	178.6	-66.9	174.7	0	0	0	111.1	A334 Y337 R398 C399 S405 Y406	A334-L402 HydrophobicContact CB-CD2 4.34Å; Y337-L402 HydrophobicContact CD1-CB 3.77Å; Y337-L402 HydrophobicContact CD1-CD1 3.57Å; Y337-L402 HydrophobicContact CD1-CG 4.31Å; Y337-L402 HydrophobicContact CD2-CD1 3.92Å; Y337-L402 HydrophobicContact CE1-CB 4.11Å; Y337-L402 HydrophobicContact CE1-CD1 3.74Å; Y337-L402 HydrophobicContact CE2-CD1 4.11Å; Y337-L402 HydrophobicContact CG-CB 4.49Å; Y337-L402 HydrophobicContact CG-CD1 3.67Å; R398-L402 PolarHBondContact O-N 3.15Å; C399-L402 PolarHBondContact O-N 3.24Å; L402-S405 PolarHBondContact O-N 3.09Å; L402-Y406 WeakPolarHBondContact O-CB 3.37Å; L402-Y406 PolarHBondContact O-N 3Å
403	L	93.3	Very high	85.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-47.1	172.6	-67.3	175.2	0	0	0	111	V338 C399 S405 Y406 C407 V432 V435 L436 V439 F445	V338-L403 HydrophobicContact CB-CD2 4.47Å; V338-L403 HydrophobicContact CG1-CD2 4.07Å; V338-L403 HydrophobicContact CG2-CD2 3.68Å; C399-L403 VanDerWaalsContact O-CG 3.31Å; C399-L403 WeakPolarHBondContact O-CG 3.36Å; C399-L403 PolarHBondContact O-N 3.02Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-S405 PolarHBondContact O-N 3.22Å; L403-Y406 PolarHBondContact O-N 3.12Å; L403-C407 PolarHBondContact O-N 3.45Å; L403-V432 HydrophobicContact CB-CG1 4.1Å; L403-V432 HydrophobicContact CD2-CG1 4.09Å; L403-V435 HydrophobicContact CD1-CB 4.37Å; L403-V435 HydrophobicContact CD1-CG1 4.08Å; L403-V435 HydrophobicContact CD2-CB 4.04Å; L403-V435 HydrophobicContact CD2-CG1 3.97Å; L403-L436 HydrophobicContact CD1-CB 4.46Å; L403-L436 HydrophobicContact CD1-CD1 4.43Å; L403-V439 HydrophobicContact CD1-CG2 3.72Å; L403-F445 HydrophobicContact CB-CD2 3.88Å; L403-F445 HydrophobicContact CB-CE2 3.98Å
404	A	92.8	Very high	87	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-39.5	178.5	0	0	0	0	0	112.4	P400 E401 C407 D408 F445 V448 H449	P400-A404 WeakPolarHBondContact O-CB 3.18Å; P400-A404 PolarHBondContact O-N 3.25Å; E401-A404 PolarHBondContact O-N 3.48Å; A404-C407 WeakPolarHBondContact O-CB 3.36Å; A404-C407 PolarHBondContact O-N 3.03Å; A404-D408 PolarHBondContact O-N 3.39Å; A404-F445 HydrophobicContact CB-CD2 3.79Å; A404-F445 HydrophobicContact CB-CE2 3.95Å; A404-F445 HydrophobicContact CB-CG 4.44Å; A404-V448 HydrophobicContact CB-CB 3.81Å; A404-V448 HydrophobicContact CB-CG1 3.65Å; A404-H449 HydrophobicContact CB-CB 4.21Å
405	S	89.9	Confident	88	Confident	40 Å²	40	28.7 Å²	28.7	28%	0.28	15%	0.145	S	C	.	.	H	α-helix	trans	-66.5	-36.5	176.5	-61.9	0	0	0	0	112.3	E401 L402 L403 D408 M409	E401-S405 WeakPolarHBondContact O-CB 3.33Å; E401-S405 PolarHBondContact O-N 3.19Å; E401-S405 PolarHBondContact O-OG 3.29Å; L402-S405 PolarHBondContact O-N 3.09Å; L403-S405 VanDerWaalsContact C-N 3.35Å; L403-S405 PolarHBondContact O-N 3.22Å; S405-D408 WeakPolarHBondContact O-CB 3.42Å; S405-D408 PolarHBondContact O-N 3.26Å; S405-M409 PolarHBondContact O-N 3.12Å
406	Y	92.3	Very high	88.7	Confident	2 Å²	2	27 Å²	27	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-42.9	175	-179.5	-121.6	0	0	0	111.3	D335 V338 L402 L403 D408 M409 L410 K428 V432	D335-Y406 HydrophobicContact CB-CD2 3.98Å; D335-Y406 HydrophobicContact CB-CE2 3.79Å; D335-Y406 WeakPolarHBondContact OD1-CE2 3.34Å; D335-Y406 PolarHBondContact OD1-OH 3.39Å; V338-Y406 HydrophobicContact CB-CD1 3.77Å; V338-Y406 HydrophobicContact CB-CE1 4.1Å; V338-Y406 HydrophobicContact CB-CG 4.22Å; V338-Y406 HydrophobicContact CG1-CD1 3.74Å; V338-Y406 HydrophobicContact CG1-CE1 3.86Å; V338-Y406 HydrophobicContact CG2-CD1 3.71Å; V338-Y406 HydrophobicContact CG2-CG 3.88Å; L402-Y406 WeakPolarHBondContact O-CB 3.37Å; L402-Y406 PolarHBondContact O-N 3Å; L403-Y406 PolarHBondContact O-N 3.12Å; Y406-D408 VanDerWaalsContact C-N 3.31Å; Y406-D408 PolarHBondContact O-N 2.88Å; Y406-M409 HydrophobicContact CD2-CE 3.62Å; Y406-M409 HydrophobicContact CE2-CE 3.75Å; Y406-M409 WeakPolarHBondContact O-CB 3.34Å; Y406-M409 PolarHBondContact O-N 3.21Å; Y406-M409 VanDerWaalsContact O-N 3.12Å; Y406-L410 HydrophobicContact CD1-CD1 4.12Å; Y406-L410 HydrophobicContact CE1-CD1 3.69Å; Y406-L410 HydrophobicContact CE1-CG 4.44Å; Y406-L410 HydrophobicContact CE2-CD1 4.3Å; Y406-L410 HydrophobicContact CE2-CD2 4.2Å; Y406-L410 HydrophobicContact CE2-CG 4.18Å; Y406-L410 WeakPolarHBondContact O-CG 3.34Å; Y406-L410 PolarHBondContact O-N 2.94Å; Y406-K428 WeakPolarHBondContact OH-CD 3.33Å; Y406-K428 PolarHBondContact OH-NZ 3.36Å; Y406-V432 HydrophobicContact CD1-CG2 3.45Å; Y406-V432 VanDerWaalsContact CD1-CG2 3.45Å; Y406-V432 HydrophobicContact CE1-CG2 3.73Å
407	C	94.6	Very high	89.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.3	-45.1	169.4	-73.9	0	0	0	0	111.9	L403 A404 M409 L410 L411 L429 V432	L403-C407 PolarHBondContact O-N 3.45Å; A404-C407 WeakPolarHBondContact O-CB 3.36Å; A404-C407 PolarHBondContact O-N 3.03Å; C407-M409 VanDerWaalsContact C-N 3.29Å; C407-M409 PolarHBondContact O-N 3.41Å; C407-L410 PolarHBondContact O-N 2.97Å; C407-L411 WeakPolarHBondContact O-CB 3.31Å; C407-L411 WeakPolarHBondContact O-CG 3.5Å; C407-L411 PolarHBondContact O-N 3.35Å; C407-L429 HydrophobicContact CB-CD2 4.37Å; C407-V432 VanDerWaalsContact SG-CG1 3.54Å
408	D	91.7	Very high	89.7	Confident	7 Å²	7	36.4 Å²	36.4	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-42	176.2	177.4	67.4	0	0	0	112.2	A404 S405 Y406 L410 L411 R412 H452 R456	A404-D408 PolarHBondContact O-N 3.39Å; S405-D408 WeakPolarHBondContact O-CB 3.42Å; S405-D408 PolarHBondContact O-N 3.26Å; Y406-D408 VanDerWaalsContact C-N 3.31Å; Y406-D408 PolarHBondContact O-N 2.88Å; D408-L410 VanDerWaalsContact C-N 3.31Å; D408-L410 PolarHBondContact O-N 3.4Å; D408-L411 PolarHBondContact O-N 2.88Å; D408-R412 WeakPolarHBondContact O-CB 3.43Å; D408-R412 WeakPolarHBondContact O-CD 3.01Å; D408-R412 WeakPolarHBondContact O-CG 3.38Å; D408-R412 PolarHBondContact O-N 3.17Å; D408-R412 WeakPolarHBondContact OD2-CD 3.31Å; D408-R412 IonicContact OD2-CZ 3.06Å; D408-R412 IonicContact OD2-NE 3.35Å; D408-R412 IonicContact OD2-NH1 3.82Å; D408-R412 PolarHBondContact OD2-NH1 3.26Å; D408-H452 HydrophobicContact CB-CB 3.89Å; D408-H452 IonicContact OD1-CG 2.72Å; D408-R456 WeakPolarHBondContact OD1-CD 3.41Å; D408-R456 IonicContact OD1-CZ 3.18Å; D408-R456 IonicContact OD1-NE 3.94Å; D408-R456 IonicContact OD1-NH1 2.8Å; D408-R456 PolarHBondContact OD1-NH1 3.32Å
409	M	90.6	Very high	90.1	Very high	27 Å²	27	42.1 Å²	42.1	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-36.8	177.8	-173.8	172.8	67.1	0	0	112.8	D335 S405 Y406 C407 S414 T416	D335-M409 HydrophobicContact CB-CE 3.59Å; S405-M409 PolarHBondContact O-N 3.12Å; Y406-M409 HydrophobicContact CD2-CE 3.62Å; Y406-M409 HydrophobicContact CE2-CE 3.75Å; Y406-M409 WeakPolarHBondContact O-CB 3.34Å; Y406-M409 PolarHBondContact O-N 3.21Å; Y406-M409 VanDerWaalsContact O-N 3.12Å; C407-M409 VanDerWaalsContact C-N 3.29Å; C407-M409 PolarHBondContact O-N 3.41Å; M409-S414 WeakPolarHBondContact O-CB 3.4Å; M409-S414 PolarHBondContact O-OG 2.94Å; M409-T416 HydrophobicContact CE-CG2 3.86Å; M409-T416 HydrophobicContact CG-CG2 4.45Å; M409-T416 HydrophobicContact SD-CG2 4.36Å; M409-T416 PolarHBondContact SD-OG1 3.04Å
410	L	94	Very high	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.3	-37	177.8	-66.4	174.8	0	0	0	112.6	Y406 C407 D408 N417 L420 I425 K428 L429	Y406-L410 HydrophobicContact CD1-CD1 4.12Å; Y406-L410 HydrophobicContact CE1-CD1 3.69Å; Y406-L410 HydrophobicContact CE1-CG 4.44Å; Y406-L410 HydrophobicContact CE2-CD1 4.3Å; Y406-L410 HydrophobicContact CE2-CD2 4.2Å; Y406-L410 HydrophobicContact CE2-CG 4.18Å; Y406-L410 WeakPolarHBondContact O-CG 3.34Å; Y406-L410 PolarHBondContact O-N 2.94Å; C407-L410 PolarHBondContact O-N 2.97Å; D408-L410 VanDerWaalsContact C-N 3.31Å; D408-L410 PolarHBondContact O-N 3.4Å; L410-N417 PolarHBondContact O-ND2 3.37Å; L410-L420 HydrophobicContact CD2-CD1 3.85Å; L410-I425 HydrophobicContact CB-CG2 4.44Å; L410-K428 HydrophobicContact CD1-CB 3.81Å; L410-K428 HydrophobicContact CD2-CD 4.05Å; L410-L429 HydrophobicContact CB-CD2 4.35Å; L410-L429 HydrophobicContact CD1-CD2 3.96Å; L410-L429 HydrophobicContact CD1-CG 4.37Å
411	L	95.1	Very high	90.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-87.3	-22.8	-174.5	-68.5	167.8	0	0	0	113.9	C407 D408 L429 A463 M467 M471	C407-L411 WeakPolarHBondContact O-CB 3.31Å; C407-L411 WeakPolarHBondContact O-CG 3.5Å; C407-L411 PolarHBondContact O-N 3.35Å; D408-L411 PolarHBondContact O-N 2.88Å; L411-L429 HydrophobicContact CD2-CD1 3.87Å; L411-L429 HydrophobicContact CG-CD2 4.39Å; L411-A463 WeakPolarHBondContact O-CB 3.46Å; L411-A463 PolarHBondContact O-N 3.11Å; L411-M467 HydrophobicContact CD2-CB 3.98Å; L411-M471 HydrophobicContact CD1-CB 4.31Å; L411-M471 HydrophobicContact CD1-CG 4.11Å
412	R	91.6	Very high	90.6	Very high	71 Å²	71	49.9 Å²	49.9	27%	0.268	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-85.6	161.4	175.8	80.8	-167.7	177.9	-164.6	-3.8	112.2	D408 S414 N417 R456 T461	D408-R412 WeakPolarHBondContact O-CB 3.43Å; D408-R412 WeakPolarHBondContact O-CD 3.01Å; D408-R412 WeakPolarHBondContact O-CG 3.38Å; D408-R412 PolarHBondContact O-N 3.17Å; D408-R412 WeakPolarHBondContact OD2-CD 3.31Å; D408-R412 IonicContact OD2-CZ 3.06Å; D408-R412 IonicContact OD2-NE 3.35Å; D408-R412 IonicContact OD2-NH1 3.82Å; D408-R412 PolarHBondContact OD2-NH1 3.26Å; R412-S414 PolarHBondContact O-N 3.47Å; R412-N417 WeakPolarHBondContact O-CB 3.41Å; R412-R456 HydrophobicContact CB-CG 4.29Å; R412-T461 CarbonylContact C-O 3.58Å; R412-T461 WeakPolarHBondContact CA-O 3.35Å
413	K	88.4	Confident	90.9	Very high	119 Å²	119	55 Å²	55	52%	0.517	27%	0.268	S	S	.	.	S	Bend	trans	-64.6	58.2	170.4	-67.6	169.5	176.6	148.8	0	112.9	E460 T461 S462 A463	K413-E460 PolarHBondContact NZ-O 2.98Å; K413-T461 WeakPolarHBondContact CG-O 3.48Å; K413-T461 PolarHBondContact N-O 3.42Å; K413-S462 WeakPolarHBondContact CE-O 3.27Å; K413-S462 PolarHBondContact NZ-O 2.75Å; K413-A463 HydrophobicContact CG-CB 4.17Å
414	S	84.6	Confident	91	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.028	29%	0.288	C	S	.	.			trans	-92.1	161.5	-177.8	76.8	0	0	0	0	111.9	M409 R412 T416 N417 R418	M409-S414 WeakPolarHBondContact O-CB 3.4Å; M409-S414 PolarHBondContact O-OG 2.94Å; R412-S414 PolarHBondContact O-N 3.47Å; S414-T416 PolarHBondContact O-N 3.37Å; S414-T416 PolarHBondContact OG-N 2.91Å; S414-N417 PolarHBondContact O-N 3.23Å; S414-N417 PolarHBondContact OG-N 2.81Å; S414-R418 WeakPolarHBondContact O-CG 3.5Å; S414-R418 PolarHBondContact O-N 3.22Å; S414-R418 VanDerWaalsContact O-N 3.12Å
415	P	83.7	Confident	91.1	Very high	97 Å²	97	59.9 Å²	59.9	63%	0.63	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.8	169	-24.6	34.6	0	0	0	113.2	R419	P415-R419 WeakPolarHBondContact O-CG 3.33Å
416	T	83.6	Confident	91.3	Very high	34 Å²	34	59.9 Å²	59.9	21%	0.209	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-49	177.8	-49.2	0	0	0	0	111.1	M409 S414 R418 R419 L420	M409-T416 HydrophobicContact CE-CG2 3.86Å; M409-T416 HydrophobicContact CG-CG2 4.45Å; M409-T416 HydrophobicContact SD-CG2 4.36Å; M409-T416 PolarHBondContact SD-OG1 3.04Å; S414-T416 PolarHBondContact O-N 3.37Å; S414-T416 PolarHBondContact OG-N 2.91Å; T416-R418 VanDerWaalsContact C-N 3.3Å; T416-R418 PolarHBondContact O-N 3.36Å; T416-R419 PolarHBondContact O-N 2.72Å; T416-R419 VanDerWaalsContact O-N 3.12Å; T416-L420 HydrophobicContact CG2-CD1 4.25Å
417	N	90.3	Very high	91.4	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.134	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-57.2	-43.2	177	170.8	-84.8	0	0	0	111.4	L410 R412 S414 R419 L420 I425 A463	L410-N417 PolarHBondContact O-ND2 3.37Å; R412-N417 WeakPolarHBondContact O-CB 3.41Å; S414-N417 PolarHBondContact O-N 3.23Å; S414-N417 PolarHBondContact OG-N 2.81Å; N417-R419 PolarHBondContact O-N 2.92Å; N417-R419 VanDerWaalsContact O-N 3.11Å; N417-L420 PolarHBondContact O-N 3.11Å; N417-L420 VanDerWaalsContact O-N 3.14Å; N417-I425 VanDerWaalsContact ND2-CD1 3.33Å; N417-I425 WeakPolarHBondContact ND2-CD1 3.46Å; N417-A463 WeakPolarHBondContact ND2-CB 3.42Å; N417-A463 WeakPolarHBondContact OD1-CB 3.45Å
418	R	89.1	Confident	91.4	Very high	197 Å²	197	66.9 Å²	66.9	74%	0.743	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-64.9	-15.3	179.3	-68.2	179.1	-170.6	-175.5	0.6	115.2	S414 T416	S414-R418 WeakPolarHBondContact O-CG 3.5Å; S414-R418 PolarHBondContact O-N 3.22Å; S414-R418 VanDerWaalsContact O-N 3.12Å; T416-R418 VanDerWaalsContact C-N 3.3Å; T416-R418 PolarHBondContact O-N 3.36Å
419	R	90.9	Very high	91.6	Very high	212 Å²	212	66.8 Å²	66.8	80%	0.8	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-94.9	-7.6	179.6	-72.1	173.8	-179.7	-170.7	-1	112.9	P415 T416 N417	P415-R419 WeakPolarHBondContact O-CG 3.33Å; T416-R419 PolarHBondContact O-N 2.72Å; T416-R419 VanDerWaalsContact O-N 3.12Å; N417-R419 PolarHBondContact O-N 2.92Å; N417-R419 VanDerWaalsContact O-N 3.11Å
420	L	91.9	Very high	91.8	Very high	41 Å²	41	71 Å²	71	22%	0.215	33%	0.332	C	S	.	.	S	Bend	trans	-115.2	147.9	-173.5	-62.7	170.1	0	0	0	109.6	L410 T416 N417 E424 I425 K428	L410-L420 HydrophobicContact CD2-CD1 3.85Å; T416-L420 HydrophobicContact CG2-CD1 4.25Å; N417-L420 PolarHBondContact O-N 3.11Å; N417-L420 VanDerWaalsContact O-N 3.14Å; L420-E424 VanDerWaalsContact CA-OE2 3.27Å; L420-E424 WeakPolarHBondContact CA-OE2 3.49Å; L420-E424 HydrophobicContact CB-CB 4.27Å; L420-E424 HydrophobicContact CD2-CB 4.34Å; L420-E424 WeakPolarHBondContact CD2-OE2 3.5Å; L420-I425 HydrophobicContact CB-CD1 4.25Å; L420-I425 HydrophobicContact CB-CG1 3.81Å; L420-I425 HydrophobicContact CD1-CG1 4.29Å; L420-K428 HydrophobicContact CD1-CD 3.76Å
421	T	94	Very high	91.8	Very high	76 Å²	76	73.3 Å²	73.3	47%	0.466	34%	0.344	S	S	.	.			trans	-76.3	163.6	169.3	69.4	0	0	0	0	110.7	D423 E424 I425	T421-D423 VanDerWaalsContact C-N 3.27Å; T421-D423 PolarHBondContact O-N 2.82Å; T421-E424 PolarHBondContact N-OE2 3.41Å; T421-E424 PolarHBondContact O-N 3.06Å; T421-E424 VanDerWaalsContact OG1-CG 3.3Å; T421-E424 WeakPolarHBondContact OG1-CG 3.14Å; T421-E424 PolarHBondContact OG1-N 3.36Å; T421-I425 VanDerWaalsContact O-CG1 3.31Å; T421-I425 WeakPolarHBondContact O-CG1 3.33Å; T421-I425 PolarHBondContact O-N 3.08Å
422	T	92.3	Very high	91.7	Very high	78 Å²	78	73.2 Å²	73.2	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-56	-42.8	175	-51.9	0	0	0	0	111.8	I425 E426 M467	T422-I425 WeakPolarHBondContact O-CB 3.44Å; T422-I425 PolarHBondContact O-N 3Å; T422-E426 PolarHBondContact O-N 3.45Å; T422-M467 HydrophobicContact CG2-CE 3.3Å; T422-M467 HydrophobicContact CG2-SD 4.26Å
423	D	94.5	Very high	91.8	Very high	124 Å²	124	70.4 Å²	70.4	66%	0.663	33%	0.334	S	S	*	.	H	α-helix	trans	-65.8	-40.3	178.4	-62.3	-24.5	0	0	0	112.3	T421 I425 E426 Q427	T421-D423 VanDerWaalsContact C-N 3.27Å; T421-D423 PolarHBondContact O-N 2.82Å; D423-I425 VanDerWaalsContact C-N 3.31Å; D423-I425 PolarHBondContact O-N 3.34Å; D423-E426 PolarHBondContact O-N 3.19Å; D423-Q427 WeakPolarHBondContact O-CB 3.44Å; D423-Q427 PolarHBondContact O-N 3.29Å
424	E	95.2	Very high	92.1	Very high	92 Å²	92	67.2 Å²	67.2	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-65	-36.9	175.7	-73.7	176.3	153.2	0	0	111.9	L420 T421 K428	L420-E424 VanDerWaalsContact CA-OE2 3.27Å; L420-E424 WeakPolarHBondContact CA-OE2 3.49Å; L420-E424 HydrophobicContact CB-CB 4.27Å; L420-E424 HydrophobicContact CD2-CB 4.34Å; L420-E424 WeakPolarHBondContact CD2-OE2 3.5Å; T421-E424 PolarHBondContact N-OE2 3.41Å; T421-E424 PolarHBondContact O-N 3.06Å; T421-E424 VanDerWaalsContact OG1-CG 3.3Å; T421-E424 WeakPolarHBondContact OG1-CG 3.14Å; T421-E424 PolarHBondContact OG1-N 3.36Å; E424-K428 WeakPolarHBondContact O-CB 3.3Å; E424-K428 WeakPolarHBondContact O-CG 3.41Å; E424-K428 PolarHBondContact O-N 2.92Å
425	I	94.3	Very high	92.6	Very high	10 Å²	10	67 Å²	67	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-65.4	-48.8	174.8	-68.3	161.8	0	0	0	109.8	L410 N417 L420 T421 T422 D423 Q427 K428 L429	L410-I425 HydrophobicContact CB-CG2 4.44Å; N417-I425 VanDerWaalsContact ND2-CD1 3.33Å; N417-I425 WeakPolarHBondContact ND2-CD1 3.46Å; L420-I425 HydrophobicContact CB-CD1 4.25Å; L420-I425 HydrophobicContact CB-CG1 3.81Å; L420-I425 HydrophobicContact CD1-CG1 4.29Å; T421-I425 VanDerWaalsContact O-CG1 3.31Å; T421-I425 WeakPolarHBondContact O-CG1 3.33Å; T421-I425 PolarHBondContact O-N 3.08Å; T422-I425 WeakPolarHBondContact O-CB 3.44Å; T422-I425 PolarHBondContact O-N 3Å; D423-I425 VanDerWaalsContact C-N 3.31Å; D423-I425 PolarHBondContact O-N 3.34Å; I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 PolarHBondContact O-N 3.2Å; I425-K428 PolarHBondContact O-N 2.8Å; I425-L429 HydrophobicContact CG2-CD1 4.05Å; I425-L429 HydrophobicContact CG2-CG 4.39Å; I425-L429 WeakPolarHBondContact O-CG 3.5Å; I425-L429 PolarHBondContact O-N 3.03Å
426	E	95	Very high	93.1	Very high	39 Å²	39	62.4 Å²	62.4	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-46.6	176.9	-175.6	-180	169.7	0	0	110.9	T422 D423 K428 L429 R430 L470 R474	T422-E426 PolarHBondContact O-N 3.45Å; D423-E426 PolarHBondContact O-N 3.19Å; E426-K428 VanDerWaalsContact C-N 3.34Å; E426-K428 PolarHBondContact O-N 2.84Å; E426-L429 PolarHBondContact O-N 2.79Å; E426-L429 VanDerWaalsContact O-N 3.17Å; E426-R430 WeakPolarHBondContact O-CG 3.44Å; E426-R430 PolarHBondContact O-N 3.43Å; E426-R430 IonicContact OE1-CZ 3.36Å; E426-R430 VanDerWaalsContact OE1-CZ 3.31Å; E426-R430 IonicContact OE1-NE 3.76Å; E426-R430 PolarHBondContact OE1-NE 3.3Å; E426-R430 IonicContact OE1-NH2 2.67Å; E426-R430 PolarHBondContact OE1-NH2 2.9Å; E426-L470 HydrophobicContact CG-CD2 3.95Å; E426-R474 IonicContact OE1-NH2 2.61Å; E426-R474 PolarHBondContact OE1-NH2 3.36Å; E426-R474 VanDerWaalsContact OE1-NH2 3.1Å
427	Q	94.8	Very high	93.5	Very high	99 Å²	99	66.8 Å²	66.8	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-41	179.2	-174.5	58	37	0	0	111.9	D423 I425 R430 N431	D423-Q427 WeakPolarHBondContact O-CB 3.44Å; D423-Q427 PolarHBondContact O-N 3.29Å; I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 PolarHBondContact O-N 3.2Å; Q427-R430 PolarHBondContact O-N 3.31Å; Q427-N431 PolarHBondContact NE2-OD1 3.29Å; Q427-N431 VanDerWaalsContact NE2-OD1 3.11Å; Q427-N431 PolarHBondContact O-N 3.09Å; Q427-N431 PolarHBondContact O-OD1 3.39Å
428	K	93.9	Very high	93.7	Very high	50 Å²	50	66 Å²	66	22%	0.217	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-38.4	174.8	-81.1	171.4	170.1	-77.5	0	111.9	Y406 L410 L420 E424 I425 E426 N431 V432	Y406-K428 WeakPolarHBondContact OH-CD 3.33Å; Y406-K428 PolarHBondContact OH-NZ 3.36Å; L410-K428 HydrophobicContact CD1-CB 3.81Å; L410-K428 HydrophobicContact CD2-CD 4.05Å; L420-K428 HydrophobicContact CD1-CD 3.76Å; E424-K428 WeakPolarHBondContact O-CB 3.3Å; E424-K428 WeakPolarHBondContact O-CG 3.41Å; E424-K428 PolarHBondContact O-N 2.92Å; I425-K428 PolarHBondContact O-N 2.8Å; E426-K428 VanDerWaalsContact C-N 3.34Å; E426-K428 PolarHBondContact O-N 2.84Å; K428-N431 WeakPolarHBondContact O-CB 3.45Å; K428-N431 PolarHBondContact O-N 2.77Å; K428-V432 WeakPolarHBondContact O-CG2 3.48Å; K428-V432 PolarHBondContact O-N 2.9Å
429	L	95.1	Very high	93.9	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-43.6	174.3	-68.6	172.9	0	0	0	111.3	C407 L410 L411 I425 E426 N431 V432 L433 M471	C407-L429 HydrophobicContact CB-CD2 4.37Å; L410-L429 HydrophobicContact CB-CD2 4.35Å; L410-L429 HydrophobicContact CD1-CD2 3.96Å; L410-L429 HydrophobicContact CD1-CG 4.37Å; L411-L429 HydrophobicContact CD2-CD1 3.87Å; L411-L429 HydrophobicContact CG-CD2 4.39Å; I425-L429 HydrophobicContact CG2-CD1 4.05Å; I425-L429 HydrophobicContact CG2-CG 4.39Å; I425-L429 WeakPolarHBondContact O-CG 3.5Å; I425-L429 PolarHBondContact O-N 3.03Å; E426-L429 PolarHBondContact O-N 2.79Å; E426-L429 VanDerWaalsContact O-N 3.17Å; L429-N431 VanDerWaalsContact C-N 3.29Å; L429-N431 PolarHBondContact O-N 3.04Å; L429-V432 WeakPolarHBondContact O-CB 3.21Å; L429-V432 PolarHBondContact O-N 2.8Å; L429-V432 VanDerWaalsContact O-N 3.11Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 3.36Å; L429-L433 VanDerWaalsContact O-N 3.09Å; L429-M471 HydrophobicContact CB-SD 4.32Å; L429-M471 HydrophobicContact CD1-SD 4.43Å; L429-M471 HydrophobicContact CD2-SD 3.99Å; L429-M471 HydrophobicContact CG-SD 4.48Å
430	R	95.1	Very high	93.9	Very high	115 Å²	115	48.7 Å²	48.7	43%	0.434	24%	0.24	S	C	.	.	H	α-helix	trans	-57.6	-42.3	173.2	-71	178.1	-178.9	-145.2	8.1	111.9	E426 Q427 V432 L433 L434 R474	E426-R430 WeakPolarHBondContact O-CG 3.44Å; E426-R430 PolarHBondContact O-N 3.43Å; E426-R430 IonicContact OE1-CZ 3.36Å; E426-R430 VanDerWaalsContact OE1-CZ 3.31Å; E426-R430 IonicContact OE1-NE 3.76Å; E426-R430 PolarHBondContact OE1-NE 3.3Å; E426-R430 IonicContact OE1-NH2 2.67Å; E426-R430 PolarHBondContact OE1-NH2 2.9Å; Q427-R430 PolarHBondContact O-N 3.31Å; R430-V432 PolarHBondContact O-N 3.46Å; R430-L433 WeakPolarHBondContact O-CB 3.34Å; R430-L433 PolarHBondContact O-N 2.85Å; R430-L434 PolarHBondContact O-N 3.39Å; R430-R474 VanDerWaalsContact NH2-NH2 3.19Å
431	N	93.8	Very high	93.9	Very high	49 Å²	49	47.4 Å²	47.4	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-39.2	176.3	-68.4	-11.8	0	0	0	112	L342 Q427 K428 L429 L433 L434 V435	L342-N431 HydrophobicContact CD1-CB 3.62Å; L342-N431 HydrophobicContact CD2-CB 3.76Å; L342-N431 WeakPolarHBondContact CD2-O 3.09Å; L342-N431 HydrophobicContact CG-CB 4.35Å; Q427-N431 PolarHBondContact NE2-OD1 3.29Å; Q427-N431 VanDerWaalsContact NE2-OD1 3.11Å; Q427-N431 PolarHBondContact O-N 3.09Å; Q427-N431 PolarHBondContact O-OD1 3.39Å; K428-N431 WeakPolarHBondContact O-CB 3.45Å; K428-N431 PolarHBondContact O-N 2.77Å; L429-N431 VanDerWaalsContact C-N 3.29Å; L429-N431 PolarHBondContact O-N 3.04Å; N431-L433 VanDerWaalsContact C-N 3.27Å; N431-L433 PolarHBondContact O-N 2.95Å; N431-L434 WeakPolarHBondContact O-CB 3.36Å; N431-L434 PolarHBondContact O-N 2.98Å; N431-V435 PolarHBondContact O-N 3.04Å
432	V	94.5	Very high	93.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.3	-42.3	173.7	172.6	0	0	0	0	111.2	V338 L403 Y406 C407 K428 L429 R430 L434 V435 L436 F445	V338-V432 HydrophobicContact CG1-CG2 4.06Å; L403-V432 HydrophobicContact CB-CG1 4.1Å; L403-V432 HydrophobicContact CD2-CG1 4.09Å; Y406-V432 HydrophobicContact CD1-CG2 3.45Å; Y406-V432 VanDerWaalsContact CD1-CG2 3.45Å; Y406-V432 HydrophobicContact CE1-CG2 3.73Å; C407-V432 VanDerWaalsContact SG-CG1 3.54Å; K428-V432 WeakPolarHBondContact O-CG2 3.48Å; K428-V432 PolarHBondContact O-N 2.9Å; L429-V432 WeakPolarHBondContact O-CB 3.21Å; L429-V432 PolarHBondContact O-N 2.8Å; L429-V432 VanDerWaalsContact O-N 3.11Å; R430-V432 PolarHBondContact O-N 3.46Å; V432-L434 VanDerWaalsContact C-N 3.32Å; V432-L434 PolarHBondContact O-N 3.37Å; V432-V435 PolarHBondContact O-N 3.39Å; V432-V435 VanDerWaalsContact O-N 3.15Å; V432-L436 PolarHBondContact O-N 3.08Å; V432-F445 HydrophobicContact CG1-CE2 4.48Å
433	L	93.9	Very high	93.8	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-33.1	179.5	-64.9	177.4	0	0	0	112.9	L429 R430 N431 V435 L436 K437 M471 R474 L475 V478	L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 3.36Å; L429-L433 VanDerWaalsContact O-N 3.09Å; R430-L433 WeakPolarHBondContact O-CB 3.34Å; R430-L433 PolarHBondContact O-N 2.85Å; N431-L433 VanDerWaalsContact C-N 3.27Å; N431-L433 PolarHBondContact O-N 2.95Å; L433-V435 VanDerWaalsContact C-N 3.34Å; L433-L436 HydrophobicContact CD2-CD2 3.94Å; L433-L436 PolarHBondContact O-N 2.75Å; L433-K437 PolarHBondContact O-N 2.88Å; L433-K437 VanDerWaalsContact O-N 3.08Å; L433-M471 HydrophobicContact CD2-CE 3.87Å; L433-R474 HydrophobicContact CD1-CB 3.35Å; L433-R474 HydrophobicContact CD1-CG 4.19Å; L433-L475 HydrophobicContact CD2-CD2 3.78Å; L433-V478 HydrophobicContact CB-CG2 3.95Å; L433-V478 HydrophobicContact CD1-CG2 4.19Å; L433-V478 HydrophobicContact CD2-CG2 4.23Å; L433-V478 HydrophobicContact CG-CG2 4.34Å
434	L	93.5	Very high	93.6	Very high	53 Å²	53	35.5 Å²	35.5	28%	0.277	17%	0.165	S	C	.	.	H	α-helix	trans	-58.4	-46.4	170	174.6	67.6	0	0	0	111.1	L342 Y345 R430 N431 V432 K437 Y438	L342-L434 HydrophobicContact CD2-CD2 4.47Å; Y345-L434 HydrophobicContact CD1-CD2 3.76Å; Y345-L434 HydrophobicContact CE1-CD1 4.27Å; Y345-L434 HydrophobicContact CE1-CD2 3.68Å; Y345-L434 HydrophobicContact CE1-CG 4.38Å; Y345-L434 HydrophobicContact CG-CD2 4.46Å; R430-L434 PolarHBondContact O-N 3.39Å; N431-L434 WeakPolarHBondContact O-CB 3.36Å; N431-L434 PolarHBondContact O-N 2.98Å; V432-L434 VanDerWaalsContact C-N 3.32Å; V432-L434 PolarHBondContact O-N 3.37Å; L434-K437 WeakPolarHBondContact O-CB 3.43Å; L434-K437 PolarHBondContact O-N 3.36Å; L434-Y438 HydrophobicContact CD1-CE2 4.27Å; L434-Y438 WeakPolarHBondContact O-CD2 3.46Å; L434-Y438 WeakPolarHBondContact O-CE2 3.45Å
435	V	94.4	Very high	93.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-40.6	176.7	-173.4	0	0	0	0	110.9	L341 L342 V374 L403 N431 V432 L433 K437 Y438	L341-V435 HydrophobicContact CD1-CG1 3.95Å; L342-V435 HydrophobicContact CD2-CG2 3.55Å; L342-V435 HydrophobicContact CG-CG2 3.99Å; V374-V435 HydrophobicContact CG1-CG1 4.41Å; V374-V435 HydrophobicContact CG2-CG1 4.13Å; L403-V435 HydrophobicContact CD1-CB 4.37Å; L403-V435 HydrophobicContact CD1-CG1 4.08Å; L403-V435 HydrophobicContact CD2-CB 4.04Å; L403-V435 HydrophobicContact CD2-CG1 3.97Å; N431-V435 PolarHBondContact O-N 3.04Å; V432-V435 PolarHBondContact O-N 3.39Å; V432-V435 VanDerWaalsContact O-N 3.15Å; L433-V435 VanDerWaalsContact C-N 3.34Å; V435-K437 PolarHBondContact O-N 3.05Å; V435-Y438 PolarHBondContact O-N 3.43Å
436	L	94.4	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-31.5	179.4	-175.9	63.1	0	0	0	112.5	L403 V432 L433 Y438 V439 K442 F445 L475 M480	L403-L436 HydrophobicContact CD1-CB 4.46Å; L403-L436 HydrophobicContact CD1-CD1 4.43Å; V432-L436 PolarHBondContact O-N 3.08Å; L433-L436 HydrophobicContact CD2-CD2 3.94Å; L433-L436 PolarHBondContact O-N 2.75Å; L436-Y438 PolarHBondContact O-N 2.72Å; L436-V439 HydrophobicContact CD1-CB 4.17Å; L436-V439 HydrophobicContact CD1-CG2 4.3Å; L436-V439 WeakPolarHBondContact O-CB 3.38Å; L436-V439 PolarHBondContact O-N 3.06Å; L436-K442 HydrophobicContact CD1-CG 4.29Å; L436-K442 VanDerWaalsContact O-CE 3.3Å; L436-K442 WeakPolarHBondContact O-CE 3.39Å; L436-F445 HydrophobicContact CD1-CB 3.85Å; L436-F445 HydrophobicContact CD1-CD1 4.1Å; L436-F445 HydrophobicContact CD1-CD2 3.94Å; L436-F445 HydrophobicContact CD1-CG 3.68Å; L436-F445 HydrophobicContact CD2-CD1 3.91Å; L436-F445 HydrophobicContact CD2-CE1 3.88Å; L436-F445 HydrophobicContact CD2-CE2 4.47Å; L436-F445 HydrophobicContact CD2-CG 4.27Å; L436-F445 HydrophobicContact CD2-CZ 4.16Å; L436-L475 HydrophobicContact CD2-CD2 4.02Å; L436-M480 HydrophobicContact CD2-SD 4.33Å
437	K	92.9	Very high	93	Very high	126 Å²	126	30.5 Å²	30.5	55%	0.548	14%	0.14	S	C	.	.	H	α-helix	trans	-52	-40.7	173.9	-174.8	-174	173.2	-168.7	0	112	L433 L434 V435 K442	L433-K437 PolarHBondContact O-N 2.88Å; L433-K437 VanDerWaalsContact O-N 3.08Å; L434-K437 WeakPolarHBondContact O-CB 3.43Å; L434-K437 PolarHBondContact O-N 3.36Å; V435-K437 PolarHBondContact O-N 3.05Å; K437-K442 PolarHBondContact O-NZ 2.93Å
438	Y	93.9	Very high	92.7	Very high	8 Å²	8	26.6 Å²	26.6	3%	0.031	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3	-178	-58.1	-81.6	0	0	0	113.5	Y345 D367 Y370 Q371 N375 L434 V435 L436	Y345-Y438 HydrophobicContact CD2-CE2 4.34Å; Y345-Y438 AromaticContact CE2-CE2 3.89Å; Y345-Y438 HydrophobicContact CE2-CE2 3.89Å; Y345-Y438 AromaticContact CE2-CZ 3.83Å; Y345-Y438 WeakPolarHBondContact CE2-OH 3.44Å; D367-Y438 HydrophobicContact CB-CE1 3.88Å; D367-Y438 WeakPolarHBondContact OD1-CE1 3.18Å; D367-Y438 VanDerWaalsContact OD1-CZ 3.22Å; D367-Y438 PolarHBondContact OD1-OH 3.17Å; Y370-Y438 HydrophobicContact CD1-CD1 4.05Å; Y370-Y438 AromaticContact CD1-CD2 3.67Å; Y370-Y438 HydrophobicContact CD1-CD2 3.67Å; Y370-Y438 HydrophobicContact CD1-CE1 4.39Å; Y370-Y438 HydrophobicContact CD1-CE2 4.06Å; Y370-Y438 AromaticContact CD1-CG 3.67Å; Y370-Y438 HydrophobicContact CD1-CG 3.67Å; Y370-Y438 AromaticContact CE1-CD2 3.66Å; Y370-Y438 HydrophobicContact CE1-CD2 3.66Å; Y370-Y438 HydrophobicContact CE1-CE2 4.17Å; Y370-Y438 HydrophobicContact CE1-CG 4.03Å; Q371-Y438 HydrophobicContact CB-CD1 4.27Å; Q371-Y438 WeakPolarHBondContact CG-O 3.43Å; N375-Y438 PolarHBondContact ND2-O 3.43Å; L434-Y438 HydrophobicContact CD1-CE2 4.27Å; L434-Y438 WeakPolarHBondContact O-CD2 3.46Å; L434-Y438 WeakPolarHBondContact O-CE2 3.45Å; V435-Y438 PolarHBondContact O-N 3.43Å; L436-Y438 PolarHBondContact O-N 2.72Å
439	V	93.4	Very high	92.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.			trans	-78.9	130.3	176.7	171.6	0	0	0	0	109.9	V374 P400 L403 L436 K442	V374-V439 HydrophobicContact CG1-CB 4.5Å; V374-V439 HydrophobicContact CG1-CG2 3.61Å; P400-V439 HydrophobicContact CB-CG1 4.14Å; P400-V439 HydrophobicContact CG-CG1 3.65Å; L403-V439 HydrophobicContact CD1-CG2 3.72Å; L436-V439 HydrophobicContact CD1-CB 4.17Å; L436-V439 HydrophobicContact CD1-CG2 4.3Å; L436-V439 WeakPolarHBondContact O-CB 3.38Å; L436-V439 PolarHBondContact O-N 3.06Å; V439-K442 HydrophobicContact CB-CG 4.41Å; V439-K442 HydrophobicContact CG1-CG 4.37Å; V439-K442 WeakPolarHBondContact O-CE 3.19Å; V439-K442 WeakPolarHBondContact O-CG 3.45Å; V439-K442 PolarHBondContact O-NZ 3.38Å
440	N	91.6	Very high	92.4	Very high	45 Å²	45	25.4 Å²	25.4	24%	0.241	12%	0.117	C	C	.	.	S	Bend	trans	-72.6	-48.8	176.5	-71.9	-14.9	0	0	0	111.1	Q371 N375 K442 F753 V754	Q371-N440 PolarHBondContact NE2-OD1 3.12Å; N375-N440 VanDerWaalsContact CG-CG 3.45Å; N375-N440 PolarHBondContact ND2-OD1 3.11Å; N375-N440 WeakPolarHBondContact OD1-CB 3.48Å; N375-N440 PolarHBondContact OD1-N 3.38Å; N440-K442 PolarHBondContact O-N 3.41Å; N440-F753 WeakPolarHBondContact O-CA 3.36Å; N440-V754 HydrophobicContact CB-CB 4.3Å; N440-V754 HydrophobicContact CB-CG2 3.87Å; N440-V754 PolarHBondContact O-N 3.22Å
441	S	91.1	Very high	92	Very high	14 Å²	14	21.7 Å²	21.7	10%	0.098	11%	0.109	C	C	.	.			trans	-97	69.6	-174.8	-57.3	0	0	0	0	112	E396 P400 D443 I444 R718	E396-S441 WeakPolarHBondContact OE2-CB 3.12Å; E396-S441 PolarHBondContact OE2-OG 2.99Å; P400-S441 WeakPolarHBondContact CG-O 3.43Å; S441-D443 VanDerWaalsContact C-N 3.26Å; S441-D443 PolarHBondContact O-N 3.09Å; S441-I444 VanDerWaalsContact CB-CD1 3.47Å; S441-I444 PolarHBondContact O-N 3.1Å; S441-R718 PolarHBondContact OG-NH2 3.36Å
442	K	93.2	Very high	91.8	Very high	17 Å²	17	21.1 Å²	21.1	7%	0.074	11%	0.105	C	C	.	.	H	α-helix	trans	-70.4	-22.7	-177.4	-58.1	-177.5	177.9	65.1	0	112.8	L436 K437 V439 N440 I444 F445 M446 M480 R750 F751 Q752	L436-K442 HydrophobicContact CD1-CG 4.29Å; L436-K442 VanDerWaalsContact O-CE 3.3Å; L436-K442 WeakPolarHBondContact O-CE 3.39Å; K437-K442 PolarHBondContact O-NZ 2.93Å; V439-K442 HydrophobicContact CB-CG 4.41Å; V439-K442 HydrophobicContact CG1-CG 4.37Å; V439-K442 WeakPolarHBondContact O-CE 3.19Å; V439-K442 WeakPolarHBondContact O-CG 3.45Å; V439-K442 PolarHBondContact O-NZ 3.38Å; N440-K442 PolarHBondContact O-N 3.41Å; K442-I444 VanDerWaalsContact C-N 3.32Å; K442-I444 PolarHBondContact O-N 2.87Å; K442-F445 WeakPolarHBondContact O-CB 3.38Å; K442-F445 PolarHBondContact O-N 2.73Å; K442-M446 PolarHBondContact O-N 2.87Å; K442-M480 HydrophobicContact CB-CE 3.9Å; K442-M480 HydrophobicContact CB-SD 3.99Å; K442-M480 HydrophobicContact CD-SD 3.82Å; K442-M480 HydrophobicContact CG-SD 4.46Å; K442-R750 PolarHBondContact NZ-O 3.23Å; K442-F751 WeakPolarHBondContact CD-O 2.99Å; K442-Q752 CarbonylContact C-O 3.58Å; K442-Q752 WeakPolarHBondContact CA-O 3.16Å; K442-Q752 WeakPolarHBondContact CB-O 3.47Å; K442-Q752 PolarHBondContact N-O 3.39Å
443	D	91.2	Very high	91.7	Very high	12 Å²	12	21.1 Å²	21.1	6%	0.064	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-36.8	172.6	57.6	-9.4	0	0	0	113.3	S441 M446 R447 R718 Q752	S441-D443 VanDerWaalsContact C-N 3.26Å; S441-D443 PolarHBondContact O-N 3.09Å; D443-M446 PolarHBondContact O-N 2.68Å; D443-R447 PolarHBondContact O-N 2.79Å; D443-R718 IonicContact OD1-CZ 3.8Å; D443-R718 IonicContact OD1-NE 3.69Å; D443-R718 IonicContact OD1-NH2 3.31Å; D443-R718 PolarHBondContact OD1-NH2 3.31Å; D443-R718 IonicContact OD2-CZ 2.92Å; D443-R718 IonicContact OD2-NE 3.64Å; D443-R718 PolarHBondContact OD2-NE 3.37Å; D443-R718 IonicContact OD2-NH2 2.85Å; D443-R718 PolarHBondContact OD2-NH2 2.99Å; D443-Q752 PolarHBondContact N-O 2.67Å
444	I	90.2	Very high	91.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-46.1	172.2	-58.4	169.5	0	0	0	110.3	I384 E396 P400 E401 S441 K442 M446 R447 V448 I714	I384-I444 HydrophobicContact CD1-CD1 3.4Å; I384-I444 HydrophobicContact CD1-CG1 4.03Å; E396-I444 HydrophobicContact CB-CD1 4.47Å; E396-I444 WeakPolarHBondContact OE2-CD1 3.41Å; P400-I444 HydrophobicContact CB-CB 3.91Å; P400-I444 HydrophobicContact CB-CG2 4Å; P400-I444 HydrophobicContact CG-CB 4.19Å; P400-I444 HydrophobicContact CG-CD1 4.39Å; P400-I444 HydrophobicContact CG-CG2 4.38Å; E401-I444 HydrophobicContact CG-CG2 3.76Å; S441-I444 VanDerWaalsContact CB-CD1 3.47Å; S441-I444 PolarHBondContact O-N 3.1Å; K442-I444 VanDerWaalsContact C-N 3.32Å; K442-I444 PolarHBondContact O-N 2.87Å; I444-M446 VanDerWaalsContact C-N 3.28Å; I444-M446 PolarHBondContact O-N 2.92Å; I444-R447 PolarHBondContact O-N 3.4Å; I444-V448 WeakPolarHBondContact O-CG2 3.09Å; I444-V448 PolarHBondContact O-N 3.48Å; I444-I714 HydrophobicContact CG1-CD1 4.21Å
445	F	92.9	Very high	91.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56	-47.2	175.5	170.5	-85	0	0	0	110.1	P400 L403 A404 V432 L436 K442 R447 V448 H449 M471 L475 M480	P400-F445 HydrophobicContact CB-CB 3.84Å; P400-F445 WeakPolarHBondContact O-CD2 3.43Å; L403-F445 HydrophobicContact CB-CD2 3.88Å; L403-F445 HydrophobicContact CB-CE2 3.98Å; A404-F445 HydrophobicContact CB-CD2 3.79Å; A404-F445 HydrophobicContact CB-CE2 3.95Å; A404-F445 HydrophobicContact CB-CG 4.44Å; V432-F445 HydrophobicContact CG1-CE2 4.48Å; L436-F445 HydrophobicContact CD1-CB 3.85Å; L436-F445 HydrophobicContact CD1-CD1 4.1Å; L436-F445 HydrophobicContact CD1-CD2 3.94Å; L436-F445 HydrophobicContact CD1-CG 3.68Å; L436-F445 HydrophobicContact CD2-CD1 3.91Å; L436-F445 HydrophobicContact CD2-CE1 3.88Å; L436-F445 HydrophobicContact CD2-CE2 4.47Å; L436-F445 HydrophobicContact CD2-CG 4.27Å; L436-F445 HydrophobicContact CD2-CZ 4.16Å; K442-F445 WeakPolarHBondContact O-CB 3.38Å; K442-F445 PolarHBondContact O-N 2.73Å; F445-R447 PolarHBondContact O-N 3.44Å; F445-V448 PolarHBondContact O-N 2.72Å; F445-H449 HydrophobicContact CD1-CB 4.39Å; F445-H449 HydrophobicContact CE1-CB 4.04Å; F445-H449 HydrophobicContact CZ-CB 4.33Å; F445-H449 WeakPolarHBondContact O-CB 3.39Å; F445-H449 PolarHBondContact O-N 2.87Å; F445-M471 HydrophobicContact CZ-CE 4.08Å; F445-L475 HydrophobicContact CE1-CD1 4.47Å; F445-L475 HydrophobicContact CE1-CD2 3.62Å; F445-L475 HydrophobicContact CZ-CD2 4.26Å; F445-M480 HydrophobicContact CD1-CE 4.32Å
446	M	92.1	Very high	90.9	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.03	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-39.7	-179.2	-75.6	-63.2	-66.2	0	0	113.3	K442 D443 I444 K450 L475 M480 Q484 L488	K442-M446 PolarHBondContact O-N 2.87Å; D443-M446 PolarHBondContact O-N 2.68Å; I444-M446 VanDerWaalsContact C-N 3.28Å; I444-M446 PolarHBondContact O-N 2.92Å; M446-K450 WeakPolarHBondContact O-CB 3.37Å; M446-K450 PolarHBondContact O-N 3.31Å; M446-L475 HydrophobicContact SD-CD1 4.07Å; M446-L475 HydrophobicContact SD-CD2 4.43Å; M446-M480 HydrophobicContact CB-CE 4.41Å; M446-M480 HydrophobicContact CG-CE 3.02Å; M446-M480 HydrophobicContact SD-CE 3.47Å; M446-M480 WeakPolarHBondContact SD-CE 3.48Å; M446-Q484 HydrophobicContact CE-CB 3.66Å; M446-Q484 VanDerWaalsContact CG-OE1 3.22Å; M446-L488 HydrophobicContact CE-CD1 4.08Å
447	R	87.7	Confident	90.8	Very high	29 Å²	29	21.9 Å²	21.9	11%	0.109	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-55.2	174.7	178.5	-170.4	60.9	105.6	-6.9	110.6	E401 D443 I444 F445 H449 K450 S451 E710 I714	E401-R447 IonicContact OE1-NH2 3.55Å; D443-R447 PolarHBondContact O-N 2.79Å; I444-R447 PolarHBondContact O-N 3.4Å; F445-R447 PolarHBondContact O-N 3.44Å; R447-H449 VanDerWaalsContact C-N 3.34Å; R447-H449 PolarHBondContact O-N 3.46Å; R447-K450 PolarHBondContact O-N 2.88Å; R447-S451 PolarHBondContact O-N 2.72Å; R447-E710 IonicContact CZ-OE2 2.91Å; R447-E710 IonicContact NH1-OE2 3.69Å; R447-E710 PolarHBondContact NH1-OE2 2.94Å; R447-I714 HydrophobicContact CB-CD1 4.23Å; R447-I714 VanDerWaalsContact CD-CD1 3.44Å; R447-I714 HydrophobicContact CG-CD1 4.41Å; R447-I714 VanDerWaalsContact NE-CD1 3.26Å
448	V	87.6	Confident	90.6	Very high	18 Å²	18	16.3 Å²	16.3	11%	0.109	8%	0.082	C	C	.	.	H	α-helix	trans	-65.7	-40.9	-176.4	178.3	0	0	0	0	110.7	E401 A404 I444 F445 K450 S451 H452	E401-V448 HydrophobicContact CB-CG2 4.38Å; E401-V448 HydrophobicContact CG-CG2 4.07Å; A404-V448 HydrophobicContact CB-CB 3.81Å; A404-V448 HydrophobicContact CB-CG1 3.65Å; I444-V448 WeakPolarHBondContact O-CG2 3.09Å; I444-V448 PolarHBondContact O-N 3.48Å; F445-V448 PolarHBondContact O-N 2.72Å; V448-K450 PolarHBondContact O-N 3.29Å; V448-S451 PolarHBondContact O-N 2.97Å; V448-H452 PolarHBondContact O-CD2 3.29Å; V448-H452 VanDerWaalsContact O-CD2 3.3Å; V448-H452 PolarHBondContact O-N 3.26Å
449	H	92	Very high	90.3	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-44.2	175.9	-173.5	83.2	0	0	0	111.8	A404 F445 R447 H452 L453	A404-H449 HydrophobicContact CB-CB 4.21Å; F445-H449 HydrophobicContact CD1-CB 4.39Å; F445-H449 HydrophobicContact CE1-CB 4.04Å; F445-H449 HydrophobicContact CZ-CB 4.33Å; F445-H449 WeakPolarHBondContact O-CB 3.39Å; F445-H449 PolarHBondContact O-N 2.87Å; R447-H449 VanDerWaalsContact C-N 3.34Å; R447-H449 PolarHBondContact O-N 3.46Å; H449-H452 PolarHBondContact O-N 3.44Å; H449-L453 WeakPolarHBondContact O-CB 3.35Å; H449-L453 PolarHBondContact O-N 2.88Å
450	K	90.6	Very high	90.1	Very high	27 Å²	27	22.4 Å²	22.4	12%	0.117	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-43.1	175.7	-175.4	-169.5	178.1	-165	0	111.5	M446 R447 V448 L453 T454 L488 M491 A541 W542	M446-K450 WeakPolarHBondContact O-CB 3.37Å; M446-K450 PolarHBondContact O-N 3.31Å; R447-K450 PolarHBondContact O-N 2.88Å; V448-K450 PolarHBondContact O-N 3.29Å; K450-L453 PolarHBondContact O-N 3.38Å; K450-T454 WeakPolarHBondContact O-CB 3.46Å; K450-T454 PolarHBondContact O-N 3.21Å; K450-T454 PolarHBondContact O-OG1 2.91Å; K450-L488 HydrophobicContact CB-CD2 4.19Å; K450-L488 HydrophobicContact CG-CD2 4Å; K450-M491 HydrophobicContact CG-SD 4.23Å; K450-A541 WeakPolarHBondContact CE-O 3.32Å; K450-A541 PolarHBondContact NZ-O 2.62Å; K450-W542 PolarHBondContact NZ-O 3.13Å
451	S	86.8	Confident	90	Very high	37 Å²	37	22.7 Å²	22.7	26%	0.259	12%	0.115	S	C	.	.	H	α-helix	trans	-61.1	-46	176.7	-178.4	0	0	0	0	111.2	R447 V448 T454 R455	R447-S451 PolarHBondContact O-N 2.72Å; V448-S451 PolarHBondContact O-N 2.97Å; S451-T454 WeakPolarHBondContact O-CB 3.48Å; S451-T454 PolarHBondContact O-N 3.42Å; S451-R455 PolarHBondContact O-N 3.06Å; S451-R455 VanDerWaalsContact O-N 3.09Å
452	H	89.1	Confident	90.1	Very high	37 Å²	37	22.3 Å²	22.3	17%	0.171	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-44.9	174.2	-74.1	-42.6	0	0	0	112.9	D408 V448 H449 T454 R455 R456	D408-H452 HydrophobicContact CB-CB 3.89Å; D408-H452 IonicContact OD1-CG 2.72Å; V448-H452 PolarHBondContact O-CD2 3.29Å; V448-H452 VanDerWaalsContact O-CD2 3.3Å; V448-H452 PolarHBondContact O-N 3.26Å; H449-H452 PolarHBondContact O-N 3.44Å; H452-T454 PolarHBondContact O-N 3.44Å; H452-R455 WeakPolarHBondContact O-CB 3.33Å; H452-R455 PolarHBondContact O-N 3.39Å; H452-R456 WeakPolarHBondContact O-CG 3.04Å; H452-R456 PolarHBondContact O-N 2.94Å
453	L	92.4	Very high	90	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-46.2	176.9	179.3	64.8	0	0	0	111.5	H449 K450 R455 R456 L457 E468 L488 M491 F492	H449-L453 WeakPolarHBondContact O-CB 3.35Å; H449-L453 PolarHBondContact O-N 2.88Å; K450-L453 PolarHBondContact O-N 3.38Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 PolarHBondContact O-N 3.36Å; L453-R456 PolarHBondContact O-N 3.35Å; L453-L457 HydrophobicContact CD1-CD1 3.97Å; L453-L457 HydrophobicContact CD1-CD2 4.35Å; L453-L457 HydrophobicContact CD1-CG 3.88Å; L453-L457 HydrophobicContact CD2-CD1 4.36Å; L453-L457 HydrophobicContact CG-CD1 3.87Å; L453-L457 HydrophobicContact CG-CG 4.17Å; L453-L457 WeakPolarHBondContact O-CB 3.02Å; L453-L457 WeakPolarHBondContact O-CG 3.36Å; L453-L457 PolarHBondContact O-N 3Å; L453-E468 VanDerWaalsContact CD1-OE2 3.31Å; L453-E468 WeakPolarHBondContact CD1-OE2 3.13Å; L453-L488 HydrophobicContact CD2-CB 4.13Å; L453-L488 HydrophobicContact CD2-CD2 3.83Å; L453-L488 HydrophobicContact CD2-CG 4.36Å; L453-M491 HydrophobicContact CD2-CE 4.25Å; L453-M491 HydrophobicContact CD2-SD 4.43Å; L453-M491 HydrophobicContact CG-CE 4.25Å; L453-F492 HydrophobicContact CD1-CE1 3.8Å; L453-F492 HydrophobicContact CD1-CZ 4.15Å; L453-F492 HydrophobicContact CD2-CE1 4.13Å; L453-F492 HydrophobicContact CD2-CZ 3.98Å; L453-F492 HydrophobicContact CG-CE1 4.49Å
454	T	89.8	Confident	90.1	Very high	19 Å²	19	25.2 Å²	25.2	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-51.4	-49.9	176.3	-62.7	0	0	0	0	110.3	K450 S451 H452 L457 I458 M491 W542	K450-T454 WeakPolarHBondContact O-CB 3.46Å; K450-T454 PolarHBondContact O-N 3.21Å; K450-T454 PolarHBondContact O-OG1 2.91Å; S451-T454 WeakPolarHBondContact O-CB 3.48Å; S451-T454 PolarHBondContact O-N 3.42Å; H452-T454 PolarHBondContact O-N 3.44Å; T454-L457 PolarHBondContact O-N 3.05Å; T454-I458 HydrophobicContact CG2-CD1 3.66Å; T454-I458 WeakPolarHBondContact O-CB 3.46Å; T454-I458 VanDerWaalsContact O-CG1 3.27Å; T454-I458 WeakPolarHBondContact O-CG1 3.44Å; T454-I458 PolarHBondContact O-N 3.29Å; T454-M491 WeakPolarHBondContact OG1-CE 3.44Å; T454-W542 HydrophobicContact CG2-CE3 3.75Å; T454-W542 HydrophobicContact CG2-CZ3 3.97Å
455	R	86.3	Confident	90.1	Very high	48 Å²	48	30.4 Å²	30.4	18%	0.181	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-45.3	177.3	180	174.5	-174.4	-157.6	0.1	112.5	S451 H452 L453 L457 I458 L459 G697 L701	S451-R455 PolarHBondContact O-N 3.06Å; S451-R455 VanDerWaalsContact O-N 3.09Å; H452-R455 WeakPolarHBondContact O-CB 3.33Å; H452-R455 PolarHBondContact O-N 3.39Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 PolarHBondContact O-N 3.36Å; R455-L457 VanDerWaalsContact C-N 3.32Å; R455-L457 PolarHBondContact O-N 3.47Å; R455-I458 PolarHBondContact O-N 3.42Å; R455-L459 HydrophobicContact CG-CD1 3.71Å; R455-L459 HydrophobicContact CG-CG 4.34Å; R455-L459 WeakPolarHBondContact O-CB 3.33Å; R455-L459 WeakPolarHBondContact O-CG 3.33Å; R455-L459 PolarHBondContact O-N 2.86Å; R455-G697 PolarHBondContact NH2-O 2.9Å; R455-L701 HydrophobicContact CG-CD1 3.98Å
456	R	90.9	Very high	90.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-40.5	-179	-72.6	-165.7	-54.3	-83.4	1	112.2	D408 R412 H452 L453 E460 T461 S462 E468	D408-R456 WeakPolarHBondContact OD1-CD 3.41Å; D408-R456 IonicContact OD1-CZ 3.18Å; D408-R456 IonicContact OD1-NE 3.94Å; D408-R456 IonicContact OD1-NH1 2.8Å; D408-R456 PolarHBondContact OD1-NH1 3.32Å; R412-R456 HydrophobicContact CB-CG 4.29Å; H452-R456 WeakPolarHBondContact O-CG 3.04Å; H452-R456 PolarHBondContact O-N 2.94Å; L453-R456 PolarHBondContact O-N 3.35Å; R456-E460 CarbonylContact O-C 3.23Å; R456-E460 VanDerWaalsContact O-CA 3.31Å; R456-E460 WeakPolarHBondContact O-CA 3.29Å; R456-E460 PolarHBondContact O-N 2.97Å; R456-T461 WeakPolarHBondContact CA-OG1 3.17Å; R456-T461 PolarHBondContact O-N 2.84Å; R456-S462 WeakPolarHBondContact CB-OG 3.38Å; R456-E468 IonicContact CZ-OE1 3.11Å; R456-E468 IonicContact CZ-OE2 3.04Å; R456-E468 IonicContact NE-OE1 2.72Å; R456-E468 PolarHBondContact NE-OE1 3.39Å; R456-E468 IonicContact NE-OE2 3.53Å; R456-E468 IonicContact NH2-OE1 2.98Å; R456-E468 PolarHBondContact NH2-OE1 2.92Å; R456-E468 IonicContact NH2-OE2 2.84Å; R456-E468 PolarHBondContact NH2-OE2 3.04Å
457	L	91.9	Very high	90.2	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-72.9	-40.4	178.8	-67.9	-178.6	0	0	0	113.1	L453 T454 R455 M491 F492 I495 W542	L453-L457 HydrophobicContact CD1-CD1 3.97Å; L453-L457 HydrophobicContact CD1-CD2 4.35Å; L453-L457 HydrophobicContact CD1-CG 3.88Å; L453-L457 HydrophobicContact CD2-CD1 4.36Å; L453-L457 HydrophobicContact CG-CD1 3.87Å; L453-L457 HydrophobicContact CG-CG 4.17Å; L453-L457 WeakPolarHBondContact O-CB 3.02Å; L453-L457 WeakPolarHBondContact O-CG 3.36Å; L453-L457 PolarHBondContact O-N 3Å; T454-L457 PolarHBondContact O-N 3.05Å; R455-L457 VanDerWaalsContact C-N 3.32Å; R455-L457 PolarHBondContact O-N 3.47Å; L457-M491 HydrophobicContact CD1-CB 4Å; L457-M491 HydrophobicContact CD1-CE 4.31Å; L457-F492 HydrophobicContact CD1-CD1 3.95Å; L457-F492 HydrophobicContact CD1-CE1 4.11Å; L457-F492 HydrophobicContact CD2-CD1 4.07Å; L457-F492 HydrophobicContact CD2-CE1 4.17Å; L457-I495 HydrophobicContact CB-CD1 4.12Å; L457-I495 HydrophobicContact CB-CG1 4.01Å; L457-I495 HydrophobicContact CD1-CG1 4.29Å; L457-W542 HydrophobicContact CB-CH2 3.73Å; L457-W542 HydrophobicContact CB-CZ3 4.21Å; L457-W542 HydrophobicContact CD1-CH2 3.77Å; L457-W542 HydrophobicContact CD1-CZ2 4.38Å; L457-W542 HydrophobicContact CG-CH2 4.42Å
458	I	88.9	Confident	90.5	Very high	9 Å²	9	37 Å²	37	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-68.6	-42.9	178.1	-70	171.5	0	0	0	111	T454 R455 E460 K535 L537 W542 L584	T454-I458 HydrophobicContact CG2-CD1 3.66Å; T454-I458 WeakPolarHBondContact O-CB 3.46Å; T454-I458 VanDerWaalsContact O-CG1 3.27Å; T454-I458 WeakPolarHBondContact O-CG1 3.44Å; T454-I458 PolarHBondContact O-N 3.29Å; R455-I458 PolarHBondContact O-N 3.42Å; I458-E460 VanDerWaalsContact C-N 3.34Å; I458-K535 HydrophobicContact CG2-CD 4.48Å; I458-K535 WeakPolarHBondContact O-CE 3.4Å; I458-L537 HydrophobicContact CG1-CD1 4.34Å; I458-W542 HydrophobicContact CD1-CE3 4.21Å; I458-W542 HydrophobicContact CD1-CZ3 4.02Å; I458-W542 HydrophobicContact CG1-CE3 4.41Å; I458-W542 HydrophobicContact CG1-CH2 4.48Å; I458-W542 HydrophobicContact CG1-CZ3 3.76Å; I458-L584 HydrophobicContact CD1-CB 4.15Å; I458-L584 HydrophobicContact CD1-CD1 3.86Å; I458-L584 HydrophobicContact CD1-CD2 4.38Å; I458-L584 HydrophobicContact CD1-CG 4.34Å; I458-L584 WeakPolarHBondContact CG2-O 3.43Å
459	L	87.1	Confident	90.8	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.11	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.1	-179.6	-59.1	179.7	0	0	0	113.6	R455 T461 I696 L701	R455-L459 HydrophobicContact CG-CD1 3.71Å; R455-L459 HydrophobicContact CG-CG 4.34Å; R455-L459 WeakPolarHBondContact O-CB 3.33Å; R455-L459 WeakPolarHBondContact O-CG 3.33Å; R455-L459 PolarHBondContact O-N 2.86Å; L459-T461 HydrophobicContact CB-CG2 3.83Å; L459-T461 PolarHBondContact O-N 3.22Å; L459-T461 VanDerWaalsContact O-N 3.17Å; L459-I696 HydrophobicContact CD1-CG2 4.12Å; L459-I696 HydrophobicContact CD2-CD1 4.28Å; L459-L701 HydrophobicContact CD1-CD1 4.04Å; L459-L701 HydrophobicContact CD2-CD1 4.22Å; L459-L701 HydrophobicContact CG-CD1 4.1Å
460	E	89.4	Confident	90.9	Very high	115 Å²	115	42.5 Å²	42.5	54%	0.537	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	36.9	-177.7	-61.5	175.7	-174.8	0	0	113.5	K413 R456 I458 K535	K413-E460 PolarHBondContact NZ-O 2.98Å; R456-E460 CarbonylContact O-C 3.23Å; R456-E460 VanDerWaalsContact O-CA 3.31Å; R456-E460 WeakPolarHBondContact O-CA 3.29Å; R456-E460 PolarHBondContact O-N 2.97Å; I458-E460 VanDerWaalsContact C-N 3.34Å; E460-K535 IonicContact OE1-NZ 2.73Å; E460-K535 PolarHBondContact OE1-NZ 3.01Å
461	T	89.7	Confident	91.2	Very high	51 Å²	51	41.2 Å²	41.2	31%	0.313	21%	0.214	S	C	.	.			trans	-95.7	-1.1	-176.6	53.6	0	0	0	0	114	R412 K413 R456 L459	R412-T461 CarbonylContact C-O 3.58Å; R412-T461 WeakPolarHBondContact CA-O 3.35Å; K413-T461 WeakPolarHBondContact CG-O 3.48Å; K413-T461 PolarHBondContact N-O 3.42Å; R456-T461 WeakPolarHBondContact CA-OG1 3.17Å; R456-T461 PolarHBondContact O-N 2.84Å; L459-T461 HydrophobicContact CB-CG2 3.83Å; L459-T461 PolarHBondContact O-N 3.22Å; L459-T461 VanDerWaalsContact O-N 3.17Å
462	S	91.6	Very high	91.6	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.049	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-56.3	137.1	169.4	-64	0	0	0	0	110.5	K413 R456 E468	K413-S462 WeakPolarHBondContact CE-O 3.27Å; K413-S462 PolarHBondContact NZ-O 2.75Å; R456-S462 WeakPolarHBondContact CB-OG 3.38Å; S462-E468 WeakPolarHBondContact CB-OE1 3.2Å; S462-E468 PolarHBondContact OG-OE1 3.49Å
463	A	91.7	Very high	91.8	Very high	35 Å²	35	39.4 Å²	39.4	29%	0.289	21%	0.21	S	C	.	.	S	Bend	trans	-74.9	-42.7	177.6	0	0	0	0	0	111.4	L411 K413 N417	L411-A463 WeakPolarHBondContact O-CB 3.46Å; L411-A463 PolarHBondContact O-N 3.11Å; K413-A463 HydrophobicContact CG-CB 4.17Å; N417-A463 WeakPolarHBondContact ND2-CB 3.42Å; N417-A463 WeakPolarHBondContact OD1-CB 3.45Å
464	D	92.7	Very high	91.9	Very high	54 Å²	54	42 Å²	42	29%	0.289	22%	0.22	S	C	.	.			trans	-147.1	126.9	-178.2	-179.5	-3.1	0	0	0	108.7	E466 M467 E468	D464-E466 WeakPolarHBondContact OD1-CB 3.2Å; D464-E466 PolarHBondContact OD1-N 3.26Å; D464-M467 HydrophobicContact CB-CB 4.08Å; D464-M467 HydrophobicContact CB-CG 3.96Å; D464-M467 WeakPolarHBondContact OD2-CG 3.46Å; D464-E468 WeakPolarHBondContact O-CG 3.33Å
465	N	91	Very high	92.2	Very high	110 Å²	110	41 Å²	41	59%	0.588	21%	0.214	S	C	*	.	H	α-helix	trans	-75.3	-29.4	-179.1	-66.6	-31.1	0	0	0	111.9	M467 E468 E469	N465-M467 VanDerWaalsContact C-N 3.3Å; N465-E468 WeakPolarHBondContact O-CB 3.43Å; N465-E468 PolarHBondContact O-N 3.45Å; N465-E469 PolarHBondContact O-N 2.97Å; N465-E469 VanDerWaalsContact O-N 3.17Å
466	E	92.8	Very high	92.5	Very high	148 Å²	148	45.8 Å²	45.8	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-66.8	-37.7	177.3	-63.4	-176.4	-178.9	0	0	110.4	D464 E468 E469 L470	D464-E466 WeakPolarHBondContact OD1-CB 3.2Å; D464-E466 PolarHBondContact OD1-N 3.26Å; E466-E468 VanDerWaalsContact C-N 3.3Å; E466-E468 PolarHBondContact O-N 3.31Å; E466-E469 PolarHBondContact O-N 3.33Å; E466-L470 WeakPolarHBondContact O-CB 3.37Å; E466-L470 PolarHBondContact O-N 3.29Å
467	M	94.1	Very high	92.5	Very high	23 Å²	23	51.9 Å²	51.9	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-32.4	174.1	-73.2	-72.9	137.1	0	0	113.1	L411 T422 D464 N465 L470 M471	L411-M467 HydrophobicContact CD2-CB 3.98Å; T422-M467 HydrophobicContact CG2-CE 3.3Å; T422-M467 HydrophobicContact CG2-SD 4.26Å; D464-M467 HydrophobicContact CB-CB 4.08Å; D464-M467 HydrophobicContact CB-CG 3.96Å; D464-M467 WeakPolarHBondContact OD2-CG 3.46Å; N465-M467 VanDerWaalsContact C-N 3.3Å; M467-L470 HydrophobicContact CE-CD2 3.93Å; M467-L470 HydrophobicContact SD-CD2 3.91Å; M467-M471 WeakPolarHBondContact O-CB 3.47Å; M467-M471 PolarHBondContact O-N 2.67Å
468	E	94	Very high	92.4	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-44.1	174.9	-60.2	-83.3	-164.7	0	0	111	L453 R456 S462 D464 N465 E466 M471 A472 F492	L453-E468 VanDerWaalsContact CD1-OE2 3.31Å; L453-E468 WeakPolarHBondContact CD1-OE2 3.13Å; R456-E468 IonicContact CZ-OE1 3.11Å; R456-E468 IonicContact CZ-OE2 3.04Å; R456-E468 IonicContact NE-OE1 2.72Å; R456-E468 PolarHBondContact NE-OE1 3.39Å; R456-E468 IonicContact NE-OE2 3.53Å; R456-E468 IonicContact NH2-OE1 2.98Å; R456-E468 PolarHBondContact NH2-OE1 2.92Å; R456-E468 IonicContact NH2-OE2 2.84Å; R456-E468 PolarHBondContact NH2-OE2 3.04Å; S462-E468 WeakPolarHBondContact CB-OE1 3.2Å; S462-E468 PolarHBondContact OG-OE1 3.49Å; D464-E468 WeakPolarHBondContact O-CG 3.33Å; N465-E468 WeakPolarHBondContact O-CB 3.43Å; N465-E468 PolarHBondContact O-N 3.45Å; E466-E468 VanDerWaalsContact C-N 3.3Å; E466-E468 PolarHBondContact O-N 3.31Å; E468-M471 PolarHBondContact O-N 3.3Å; E468-A472 PolarHBondContact O-N 3.3Å; E468-A472 VanDerWaalsContact O-N 3.09Å; E468-F492 HydrophobicContact CB-CE1 3.66Å; E468-F492 HydrophobicContact CB-CZ 3.76Å
469	E	94.1	Very high	92.4	Very high	86 Å²	86	54.3 Å²	54.3	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-40.8	175.4	-67.7	-171.9	-170.7	0	0	111.1	N465 E466 A472 G473 F492 K496	N465-E469 PolarHBondContact O-N 2.97Å; N465-E469 VanDerWaalsContact O-N 3.17Å; E466-E469 PolarHBondContact O-N 3.33Å; E469-A472 PolarHBondContact O-N 3.47Å; E469-G473 PolarHBondContact O-N 3.01Å; E469-F492 HydrophobicContact CG-CD2 4.08Å; E469-F492 HydrophobicContact CG-CE2 4.27Å; E469-F492 HydrophobicContact CG-CG 4.41Å; E469-K496 IonicContact OE1-NZ 3.76Å; E469-K496 PolarHBondContact OE1-NZ 2.92Å
470	L	94.9	Very high	92.6	Very high	50 Å²	50	53.7 Å²	53.7	26%	0.262	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-47.6	173.6	-179.4	68.3	0	0	0	111.3	E426 E466 M467 A472 G473 R474	E426-L470 HydrophobicContact CG-CD2 3.95Å; E466-L470 WeakPolarHBondContact O-CB 3.37Å; E466-L470 PolarHBondContact O-N 3.29Å; M467-L470 HydrophobicContact CE-CD2 3.93Å; M467-L470 HydrophobicContact SD-CD2 3.91Å; L470-A472 VanDerWaalsContact C-N 3.31Å; L470-A472 PolarHBondContact O-N 2.8Å; L470-G473 CarbonylContact O-C 3.58Å; L470-G473 WeakPolarHBondContact O-CA 3.49Å; L470-G473 PolarHBondContact O-N 3.37Å; L470-G473 VanDerWaalsContact O-N 3.09Å; L470-R474 HydrophobicContact CD1-CG 4.5Å; L470-R474 HydrophobicContact CG-CG 4.43Å; L470-R474 WeakPolarHBondContact O-CG 3.42Å; L470-R474 PolarHBondContact O-N 3.18Å
471	M	95.4	Very high	92.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-42.5	178.5	-176.5	63	-172.6	0	0	111.5	L411 L429 L433 F445 M467 E468 G473 R474 L475	L411-M471 HydrophobicContact CD1-CB 4.31Å; L411-M471 HydrophobicContact CD1-CG 4.11Å; L429-M471 HydrophobicContact CB-SD 4.32Å; L429-M471 HydrophobicContact CD1-SD 4.43Å; L429-M471 HydrophobicContact CD2-SD 3.99Å; L429-M471 HydrophobicContact CG-SD 4.48Å; L433-M471 HydrophobicContact CD2-CE 3.87Å; F445-M471 HydrophobicContact CZ-CE 4.08Å; M467-M471 WeakPolarHBondContact O-CB 3.47Å; M467-M471 PolarHBondContact O-N 2.67Å; E468-M471 PolarHBondContact O-N 3.3Å; M471-G473 VanDerWaalsContact C-N 3.33Å; M471-G473 PolarHBondContact O-N 3.03Å; M471-R474 PolarHBondContact O-N 3.29Å; M471-L475 HydrophobicContact CE-CD1 4.36Å; M471-L475 HydrophobicContact CE-CD2 4.09Å; M471-L475 HydrophobicContact CE-CG 4.13Å; M471-L475 WeakPolarHBondContact O-CG 3.17Å; M471-L475 PolarHBondContact O-N 2.84Å
472	A	94.9	Very high	92.6	Very high	9 Å²	9	49.5 Å²	49.5	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-38.6	174.6	0	0	0	0	0	112.3	E468 E469 L470 R476 F492	E468-A472 PolarHBondContact O-N 3.3Å; E468-A472 VanDerWaalsContact O-N 3.09Å; E469-A472 PolarHBondContact O-N 3.47Å; L470-A472 VanDerWaalsContact C-N 3.31Å; L470-A472 PolarHBondContact O-N 2.8Å; A472-R476 PolarHBondContact O-N 2.87Å; A472-F492 HydrophobicContact CB-CE2 3.99Å
473	G	94.9	Very high	92.6	Very high	27 Å²	27	53.2 Å²	53.2	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-47.3	172.1	0	0	0	0	0	112.4	E469 L470 M471 L475 R476 E477	E469-G473 PolarHBondContact O-N 3.01Å; L470-G473 CarbonylContact O-C 3.58Å; L470-G473 WeakPolarHBondContact O-CA 3.49Å; L470-G473 PolarHBondContact O-N 3.37Å; L470-G473 VanDerWaalsContact O-N 3.09Å; M471-G473 VanDerWaalsContact C-N 3.33Å; M471-G473 PolarHBondContact O-N 3.03Å; G473-L475 PolarHBondContact O-N 2.81Å; G473-R476 WeakPolarHBondContact O-CA 3.3Å; G473-R476 WeakPolarHBondContact O-CB 3.44Å; G473-R476 PolarHBondContact O-N 3.46Å; G473-E477 PolarHBondContact O-N 3.1Å
474	R	94.5	Very high	92.5	Very high	54 Å²	54	53.3 Å²	53.3	20%	0.204	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-35.7	178.7	-63.8	-62.2	-173.6	-139.6	-7.7	113.1	E426 R430 L433 L470 M471 R476 E477 V478	E426-R474 IonicContact OE1-NH2 2.61Å; E426-R474 PolarHBondContact OE1-NH2 3.36Å; E426-R474 VanDerWaalsContact OE1-NH2 3.1Å; R430-R474 VanDerWaalsContact NH2-NH2 3.19Å; L433-R474 HydrophobicContact CD1-CB 3.35Å; L433-R474 HydrophobicContact CD1-CG 4.19Å; L470-R474 HydrophobicContact CD1-CG 4.5Å; L470-R474 HydrophobicContact CG-CG 4.43Å; L470-R474 WeakPolarHBondContact O-CG 3.42Å; L470-R474 PolarHBondContact O-N 3.18Å; M471-R474 PolarHBondContact O-N 3.29Å; R474-R476 PolarHBondContact O-N 2.81Å; R474-E477 WeakPolarHBondContact CD-OE2 3.41Å; R474-E477 IonicContact CZ-OE2 3.27Å; R474-E477 IonicContact NE-OE2 3.42Å; R474-E477 VanDerWaalsContact NH1-CD 3.3Å; R474-E477 IonicContact NH1-OE1 2.58Å; R474-E477 PolarHBondContact NH1-OE1 3.24Å; R474-E477 IonicContact NH1-OE2 3.84Å; R474-E477 PolarHBondContact NH1-OE2 3.02Å; R474-E477 WeakPolarHBondContact O-CB 3.41Å; R474-E477 PolarHBondContact O-N 2.73Å; R474-E477 VanDerWaalsContact O-N 3.12Å; R474-V478 WeakPolarHBondContact O-CG2 3.36Å; R474-V478 PolarHBondContact O-N 3.12Å; R474-V478 VanDerWaalsContact O-N 3.12Å
475	L	95.3	Very high	92.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-32.9	172.2	-72.5	169.9	0	0	0	111.6	L433 L436 F445 M446 M471 G473 M480 I485 L488	L433-L475 HydrophobicContact CD2-CD2 3.78Å; L436-L475 HydrophobicContact CD2-CD2 4.02Å; F445-L475 HydrophobicContact CE1-CD1 4.47Å; F445-L475 HydrophobicContact CE1-CD2 3.62Å; F445-L475 HydrophobicContact CZ-CD2 4.26Å; M446-L475 HydrophobicContact SD-CD1 4.07Å; M446-L475 HydrophobicContact SD-CD2 4.43Å; M471-L475 HydrophobicContact CE-CD1 4.36Å; M471-L475 HydrophobicContact CE-CD2 4.09Å; M471-L475 HydrophobicContact CE-CG 4.13Å; M471-L475 WeakPolarHBondContact O-CG 3.17Å; M471-L475 PolarHBondContact O-N 2.84Å; G473-L475 PolarHBondContact O-N 2.81Å; L475-M480 HydrophobicContact CB-CB 4.41Å; L475-M480 HydrophobicContact CB-CG 4.2Å; L475-M480 HydrophobicContact CD2-CG 4.06Å; L475-M480 WeakPolarHBondContact O-CB 3.37Å; L475-M480 WeakPolarHBondContact O-CG 2.95Å; L475-M480 PolarHBondContact O-N 3.47Å; L475-M480 VanDerWaalsContact O-N 3.12Å; L475-I485 HydrophobicContact CB-CD1 4.45Å; L475-L488 HydrophobicContact CD1-CD1 4.28Å
476	R	93.7	Very high	92.6	Very high	147 Å²	147	50.1 Å²	50.1	56%	0.555	26%	0.262	S	S	*	.	H	α-helix	trans	-65.7	-44.9	173.6	-162.8	-179.9	-65.8	173.5	-0.1	112	A472 G473 R474 V478 G479 I485	A472-R476 PolarHBondContact O-N 2.87Å; G473-R476 WeakPolarHBondContact O-CA 3.3Å; G473-R476 WeakPolarHBondContact O-CB 3.44Å; G473-R476 PolarHBondContact O-N 3.46Å; R474-R476 PolarHBondContact O-N 2.81Å; R476-V478 VanDerWaalsContact C-N 3.28Å; R476-V478 PolarHBondContact O-N 2.73Å; R476-G479 PolarHBondContact O-N 2.86Å; R476-I485 HydrophobicContact CB-CD1 3.61Å; R476-I485 HydrophobicContact CG-CD1 3.98Å
477	E	90.8	Very high	92.6	Very high	131 Å²	131	46.4 Å²	46.4	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-62.2	-35	-179.9	-66.2	171.8	-174.9	0	0	112.4	G473 R474 G479	G473-E477 PolarHBondContact O-N 3.1Å; R474-E477 WeakPolarHBondContact CD-OE2 3.41Å; R474-E477 IonicContact CZ-OE2 3.27Å; R474-E477 IonicContact NE-OE2 3.42Å; R474-E477 VanDerWaalsContact NH1-CD 3.3Å; R474-E477 IonicContact NH1-OE1 2.58Å; R474-E477 PolarHBondContact NH1-OE1 3.24Å; R474-E477 IonicContact NH1-OE2 3.84Å; R474-E477 PolarHBondContact NH1-OE2 3.02Å; R474-E477 WeakPolarHBondContact O-CB 3.41Å; R474-E477 PolarHBondContact O-N 2.73Å; R474-E477 VanDerWaalsContact O-N 3.12Å; E477-G479 PolarHBondContact O-N 2.76Å
478	V	89.7	Confident	92.6	Very high	39 Å²	39	45.4 Å²	45.4	24%	0.236	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.2	176.3	178.3	0	0	0	0	112.6	L433 R474 R476	L433-V478 HydrophobicContact CB-CG2 3.95Å; L433-V478 HydrophobicContact CD1-CG2 4.19Å; L433-V478 HydrophobicContact CD2-CG2 4.23Å; L433-V478 HydrophobicContact CG-CG2 4.34Å; R474-V478 WeakPolarHBondContact O-CG2 3.36Å; R474-V478 PolarHBondContact O-N 3.12Å; R474-V478 VanDerWaalsContact O-N 3.12Å; R476-V478 VanDerWaalsContact C-N 3.28Å; R476-V478 PolarHBondContact O-N 2.73Å
479	G	88	Confident	92.7	Very high	31 Å²	31	47 Å²	47	32%	0.32	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	17	178.4	0	0	0	0	0	114	R476 E477 F751	R476-G479 PolarHBondContact O-N 2.86Å; E477-G479 PolarHBondContact O-N 2.76Å; G479-F751 VanDerWaalsContact O-CB 3.3Å; G479-F751 WeakPolarHBondContact O-CB 3.33Å
480	M	91.4	Very high	92.7	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.034	26%	0.262	C	S	.	.			trans	-62.7	150.5	175.2	-57.8	-66.6	-76.6	0	0	110.5	L436 K442 F445 M446 L475 A482 I485	L436-M480 HydrophobicContact CD2-SD 4.33Å; K442-M480 HydrophobicContact CB-CE 3.9Å; K442-M480 HydrophobicContact CB-SD 3.99Å; K442-M480 HydrophobicContact CD-SD 3.82Å; K442-M480 HydrophobicContact CG-SD 4.46Å; F445-M480 HydrophobicContact CD1-CE 4.32Å; M446-M480 HydrophobicContact CB-CE 4.41Å; M446-M480 HydrophobicContact CG-CE 3.02Å; M446-M480 HydrophobicContact SD-CE 3.47Å; M446-M480 WeakPolarHBondContact SD-CE 3.48Å; L475-M480 HydrophobicContact CB-CB 4.41Å; L475-M480 HydrophobicContact CB-CG 4.2Å; L475-M480 HydrophobicContact CD2-CG 4.06Å; L475-M480 WeakPolarHBondContact O-CB 3.37Å; L475-M480 WeakPolarHBondContact O-CG 2.95Å; L475-M480 PolarHBondContact O-N 3.47Å; L475-M480 VanDerWaalsContact O-N 3.12Å; M480-A482 PolarHBondContact O-N 2.66Å; M480-I485 HydrophobicContact CB-CD1 4.09Å; M480-I485 HydrophobicContact CB-CG1 4.46Å; M480-I485 WeakPolarHBondContact O-CD1 3.17Å
481	P	88.9	Confident	92.8	Very high	19 Å²	19	47.4 Å²	47.4	12%	0.123	25%	0.249	C	C	.	.			trans	-57.9	127.3	-172.4	-24.5	32.8	0	0	0	113.2	E483 Q484 I485 Q752	P481-E483 PolarHBondContact O-N 3.09Å; P481-E483 VanDerWaalsContact O-N 3.16Å; P481-Q484 HydrophobicContact CB-CG 4.39Å; P481-Q484 PolarHBondContact O-N 3.31Å; P481-I485 PolarHBondContact O-N 3.4Å; P481-Q752 HydrophobicContact CB-CG 4.49Å; P481-Q752 HydrophobicContact CG-CG 3.28Å
482	A	90.8	Very high	92.7	Very high	59 Å²	59	48.3 Å²	48.3	49%	0.488	25%	0.253	S	S	.	.	H	α-helix	trans	-55.3	-37	-180	0	0	0	0	0	112.5	M480 Q484 I485 N486	M480-A482 PolarHBondContact O-N 2.66Å; A482-Q484 VanDerWaalsContact C-N 3.34Å; A482-Q484 PolarHBondContact O-N 3.12Å; A482-I485 PolarHBondContact O-N 3.3Å; A482-N486 VanDerWaalsContact O-CB 3.27Å; A482-N486 WeakPolarHBondContact O-CB 3.39Å; A482-N486 PolarHBondContact O-N 3.38Å; A482-N486 PolarHBondContact O-ND2 3.44Å; A482-N486 PolarHBondContact O-OD1 2.95Å
483	E	90.3	Very high	92.8	Very high	85 Å²	85	53.3 Å²	53.3	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-44	177.2	-168.4	-161.7	139.2	0	0	112.3	P481 K487 R721	P481-E483 PolarHBondContact O-N 3.09Å; P481-E483 VanDerWaalsContact O-N 3.16Å; E483-K487 WeakPolarHBondContact O-CG 3.46Å; E483-K487 PolarHBondContact O-N 2.84Å; E483-K487 VanDerWaalsContact O-N 3.14Å; E483-K487 VanDerWaalsContact OE1-CE 3.32Å; E483-K487 WeakPolarHBondContact OE1-CE 3.31Å; E483-K487 IonicContact OE1-NZ 3.59Å; E483-K487 PolarHBondContact OE1-NZ 3.47Å; E483-R721 IonicContact OE1-NH2 3.72Å; E483-R721 IonicContact OE2-CZ 3.9Å; E483-R721 IonicContact OE2-NH1 2.73Å; E483-R721 IonicContact OE2-NH2 3.93Å; E483-R721 PolarHBondContact OE2-NH2 3.11Å
484	Q	89.6	Confident	92.8	Very high	38 Å²	38	53 Å²	53	18%	0.178	27%	0.267	C	S	.	.	H	α-helix	trans	-70.1	-40.9	-179.8	-68	-177.3	-17.4	0	0	111	M446 P481 A482 N486 K487 L488	M446-Q484 HydrophobicContact CE-CB 3.66Å; M446-Q484 VanDerWaalsContact CG-OE1 3.22Å; P481-Q484 HydrophobicContact CB-CG 4.39Å; P481-Q484 PolarHBondContact O-N 3.31Å; A482-Q484 VanDerWaalsContact C-N 3.34Å; A482-Q484 PolarHBondContact O-N 3.12Å; Q484-N486 VanDerWaalsContact C-N 3.34Å; Q484-N486 PolarHBondContact O-N 3.12Å; Q484-K487 WeakPolarHBondContact O-CB 3.38Å; Q484-K487 PolarHBondContact O-N 3.23Å; Q484-L488 WeakPolarHBondContact O-CG 3.46Å; Q484-L488 PolarHBondContact O-N 3.28Å; Q484-L488 VanDerWaalsContact O-N 3.16Å
485	I	93.7	Very high	92.8	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-40.3	177.7	-58.9	171.4	0	0	0	110.9	L475 R476 M480 P481 A482 K487 L488 G489	L475-I485 HydrophobicContact CB-CD1 4.45Å; R476-I485 HydrophobicContact CB-CD1 3.61Å; R476-I485 HydrophobicContact CG-CD1 3.98Å; M480-I485 HydrophobicContact CB-CD1 4.09Å; M480-I485 HydrophobicContact CB-CG1 4.46Å; M480-I485 WeakPolarHBondContact O-CD1 3.17Å; P481-I485 PolarHBondContact O-N 3.4Å; A482-I485 PolarHBondContact O-N 3.3Å; I485-K487 VanDerWaalsContact C-N 3.26Å; I485-K487 PolarHBondContact O-N 3.04Å; I485-L488 WeakPolarHBondContact O-CB 3.49Å; I485-L488 PolarHBondContact O-N 3.38Å; I485-L488 VanDerWaalsContact O-N 3.08Å; I485-G489 PolarHBondContact O-N 3.34Å
486	N	93.7	Very high	92.7	Very high	94 Å²	94	57.6 Å²	57.6	50%	0.503	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-33.8	176.6	-69.6	-14.4	0	0	0	111.5	A482 Q484 G489 R490	A482-N486 VanDerWaalsContact O-CB 3.27Å; A482-N486 WeakPolarHBondContact O-CB 3.39Å; A482-N486 PolarHBondContact O-N 3.38Å; A482-N486 PolarHBondContact O-ND2 3.44Å; A482-N486 PolarHBondContact O-OD1 2.95Å; Q484-N486 VanDerWaalsContact C-N 3.34Å; Q484-N486 PolarHBondContact O-N 3.12Å; N486-G489 PolarHBondContact O-N 3.39Å; N486-R490 WeakPolarHBondContact O-CB 3.4Å; N486-R490 PolarHBondContact O-N 3.23Å
487	K	92.3	Very high	92.7	Very high	71 Å²	71	54.3 Å²	54.3	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-43.2	170.9	-70.8	173.3	-172.4	172.5	0	111.3	E483 Q484 I485 R490 M491	E483-K487 WeakPolarHBondContact O-CG 3.46Å; E483-K487 PolarHBondContact O-N 2.84Å; E483-K487 VanDerWaalsContact O-N 3.14Å; E483-K487 VanDerWaalsContact OE1-CE 3.32Å; E483-K487 WeakPolarHBondContact OE1-CE 3.31Å; E483-K487 IonicContact OE1-NZ 3.59Å; E483-K487 PolarHBondContact OE1-NZ 3.47Å; Q484-K487 WeakPolarHBondContact O-CB 3.38Å; Q484-K487 PolarHBondContact O-N 3.23Å; I485-K487 VanDerWaalsContact C-N 3.26Å; I485-K487 PolarHBondContact O-N 3.04Å; K487-R490 PolarHBondContact O-N 3.41Å; K487-M491 VanDerWaalsContact O-CG 3.31Å; K487-M491 WeakPolarHBondContact O-CG 3.33Å; K487-M491 PolarHBondContact O-N 3.09Å
488	L	94.8	Very high	92.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-44.6	174.4	-51.9	-175.4	0	0	0	111.4	M446 K450 L453 L475 Q484 I485 R490 M491 F492	M446-L488 HydrophobicContact CE-CD1 4.08Å; K450-L488 HydrophobicContact CB-CD2 4.19Å; K450-L488 HydrophobicContact CG-CD2 4Å; L453-L488 HydrophobicContact CD2-CB 4.13Å; L453-L488 HydrophobicContact CD2-CD2 3.83Å; L453-L488 HydrophobicContact CD2-CG 4.36Å; L475-L488 HydrophobicContact CD1-CD1 4.28Å; Q484-L488 WeakPolarHBondContact O-CG 3.46Å; Q484-L488 PolarHBondContact O-N 3.28Å; Q484-L488 VanDerWaalsContact O-N 3.16Å; I485-L488 WeakPolarHBondContact O-CB 3.49Å; I485-L488 PolarHBondContact O-N 3.38Å; I485-L488 VanDerWaalsContact O-N 3.08Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 2.92Å; L488-M491 HydrophobicContact CD2-SD 4.07Å; L488-M491 WeakPolarHBondContact O-CB 3.07Å; L488-M491 PolarHBondContact O-N 2.94Å; L488-F492 WeakPolarHBondContact O-CD2 3.13Å; L488-F492 PolarHBondContact O-N 3.4Å; L488-F492 VanDerWaalsContact O-N 3.16Å
489	G	94.2	Very high	93	Very high	34 Å²	34	52.1 Å²	52.1	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-56.7	-43.6	174.4	0	0	0	0	0	112.8	I485 N486 M491 F492 Q493	I485-G489 PolarHBondContact O-N 3.34Å; N486-G489 PolarHBondContact O-N 3.39Å; G489-M491 VanDerWaalsContact C-N 3.34Å; G489-M491 PolarHBondContact O-N 2.89Å; G489-F492 PolarHBondContact O-N 3.42Å; G489-Q493 PolarHBondContact O-N 3.19Å; G489-Q493 VanDerWaalsContact O-N 3.17Å
490	R	95.4	Very high	93.2	Very high	146 Å²	146	55 Å²	55	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-64.3	-36.1	174.7	-176.2	165.7	-73.7	170.1	-2.3	112.2	N486 K487 L488 F492 Q493 D494 A541	N486-R490 WeakPolarHBondContact O-CB 3.4Å; N486-R490 PolarHBondContact O-N 3.23Å; K487-R490 PolarHBondContact O-N 3.41Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 2.92Å; R490-F492 VanDerWaalsContact C-N 3.34Å; R490-F492 PolarHBondContact O-N 3.09Å; R490-Q493 PolarHBondContact O-N 2.82Å; R490-D494 WeakPolarHBondContact O-CB 2.93Å; R490-D494 PolarHBondContact O-N 3.3Å; R490-A541 HydrophobicContact CB-CB 4.15Å; R490-A541 HydrophobicContact CG-CB 3.93Å
491	M	95.7	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-41.6	174.5	-66.1	166.1	67.1	0	0	111.8	K450 L453 T454 L457 K487 L488 G489 Q493 D494 I495 A541 W542	K450-M491 HydrophobicContact CG-SD 4.23Å; L453-M491 HydrophobicContact CD2-CE 4.25Å; L453-M491 HydrophobicContact CD2-SD 4.43Å; L453-M491 HydrophobicContact CG-CE 4.25Å; T454-M491 WeakPolarHBondContact OG1-CE 3.44Å; L457-M491 HydrophobicContact CD1-CB 4Å; L457-M491 HydrophobicContact CD1-CE 4.31Å; K487-M491 VanDerWaalsContact O-CG 3.31Å; K487-M491 WeakPolarHBondContact O-CG 3.33Å; K487-M491 PolarHBondContact O-N 3.09Å; L488-M491 HydrophobicContact CD2-SD 4.07Å; L488-M491 WeakPolarHBondContact O-CB 3.07Å; L488-M491 PolarHBondContact O-N 2.94Å; G489-M491 VanDerWaalsContact C-N 3.34Å; G489-M491 PolarHBondContact O-N 2.89Å; M491-Q493 PolarHBondContact O-N 2.74Å; M491-D494 PolarHBondContact O-N 3.26Å; M491-I495 WeakPolarHBondContact O-CG1 3.39Å; M491-I495 PolarHBondContact O-N 2.96Å; M491-I495 VanDerWaalsContact O-N 3.14Å; M491-A541 HydrophobicContact CG-CB 4.24Å; M491-W542 HydrophobicContact CB-CH2 4.19Å; M491-W542 HydrophobicContact CB-CZ2 3.64Å; M491-W542 HydrophobicContact CE-CD2 4.15Å; M491-W542 HydrophobicContact CE-CE3 3.79Å; M491-W542 HydrophobicContact CE-CH2 4.15Å; M491-W542 HydrophobicContact CE-CZ2 4.49Å; M491-W542 HydrophobicContact CE-CZ3 3.78Å; M491-W542 HydrophobicContact CG-CD2 3.99Å; M491-W542 HydrophobicContact CG-CG 4.3Å; M491-W542 HydrophobicContact CG-CZ2 4.03Å; M491-W542 WeakPolarHBondContact O-CZ2 3.47Å
492	F	95.1	Very high	93.4	Very high	20 Å²	20	54.6 Å²	54.6	9%	0.088	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-42.8	175	-58.7	-50.6	0	0	0	112.3	L453 L457 E468 E469 A472 L488 G489 R490 I495 K496	L453-F492 HydrophobicContact CD1-CE1 3.8Å; L453-F492 HydrophobicContact CD1-CZ 4.15Å; L453-F492 HydrophobicContact CD2-CE1 4.13Å; L453-F492 HydrophobicContact CD2-CZ 3.98Å; L453-F492 HydrophobicContact CG-CE1 4.49Å; L457-F492 HydrophobicContact CD1-CD1 3.95Å; L457-F492 HydrophobicContact CD1-CE1 4.11Å; L457-F492 HydrophobicContact CD2-CD1 4.07Å; L457-F492 HydrophobicContact CD2-CE1 4.17Å; E468-F492 HydrophobicContact CB-CE1 3.66Å; E468-F492 HydrophobicContact CB-CZ 3.76Å; E469-F492 HydrophobicContact CG-CD2 4.08Å; E469-F492 HydrophobicContact CG-CE2 4.27Å; E469-F492 HydrophobicContact CG-CG 4.41Å; A472-F492 HydrophobicContact CB-CE2 3.99Å; L488-F492 WeakPolarHBondContact O-CD2 3.13Å; L488-F492 PolarHBondContact O-N 3.4Å; L488-F492 VanDerWaalsContact O-N 3.16Å; G489-F492 PolarHBondContact O-N 3.42Å; R490-F492 VanDerWaalsContact C-N 3.34Å; R490-F492 PolarHBondContact O-N 3.09Å; F492-I495 PolarHBondContact O-N 3.38Å; F492-K496 PolarHBondContact O-N 3.22Å
493	Q	95.4	Very high	93.4	Very high	114 Å²	114	54 Å²	54	53%	0.533	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-43.4	177.5	-172.5	176.8	16.2	0	0	111.9	G489 R490 M491 I495 K496 I497	G489-Q493 PolarHBondContact O-N 3.19Å; G489-Q493 VanDerWaalsContact O-N 3.17Å; R490-Q493 PolarHBondContact O-N 2.82Å; M491-Q493 PolarHBondContact O-N 2.74Å; Q493-I495 VanDerWaalsContact C-N 3.29Å; Q493-I495 PolarHBondContact O-N 3.35Å; Q493-K496 PolarHBondContact O-N 2.78Å; Q493-I497 HydrophobicContact CG-CD1 3.81Å; Q493-I497 HydrophobicContact CG-CG1 4.37Å; Q493-I497 WeakPolarHBondContact O-CG1 3.49Å; Q493-I497 PolarHBondContact O-N 3.37Å
494	D	95.5	Very high	93.4	Very high	20 Å²	20	53.6 Å²	53.6	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-39	178.8	-74.7	-8.1	0	0	0	111.5	R490 M491 S498 L537 S538 W542	R490-D494 WeakPolarHBondContact O-CB 2.93Å; R490-D494 PolarHBondContact O-N 3.3Å; M491-D494 PolarHBondContact O-N 3.26Å; D494-S498 WeakPolarHBondContact O-CB 3.46Å; D494-S498 PolarHBondContact O-N 3.09Å; D494-L537 HydrophobicContact CB-CD2 4.01Å; D494-S538 VanDerWaalsContact OD2-CB 3.28Å; D494-S538 WeakPolarHBondContact OD2-CB 3.28Å; D494-S538 PolarHBondContact OD2-N 2.55Å; D494-S538 VanDerWaalsContact OD2-N 3.1Å; D494-S538 PolarHBondContact OD2-OG 2.99Å; D494-W542 HydrophobicContact CB-CZ2 4.3Å; D494-W542 PolarHBondContact OD2-NE1 2.96Å
495	I	94.2	Very high	93.3	Very high	33 Å²	33	52 Å²	52	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-44.4	175.7	-70.1	-68	0	0	0	111.7	L457 M491 F492 Q493 S498 H499 L537 W542	L457-I495 HydrophobicContact CB-CD1 4.12Å; L457-I495 HydrophobicContact CB-CG1 4.01Å; L457-I495 HydrophobicContact CD1-CG1 4.29Å; M491-I495 WeakPolarHBondContact O-CG1 3.39Å; M491-I495 PolarHBondContact O-N 2.96Å; M491-I495 VanDerWaalsContact O-N 3.14Å; F492-I495 PolarHBondContact O-N 3.38Å; Q493-I495 VanDerWaalsContact C-N 3.29Å; Q493-I495 PolarHBondContact O-N 3.35Å; I495-S498 PolarHBondContact O-N 2.87Å; I495-H499 PolarHBondContact O-N 3.06Å; I495-H499 VanDerWaalsContact O-N 3.07Å; I495-L537 HydrophobicContact CD1-CD2 4.07Å; I495-W542 HydrophobicContact CD1-CH2 3.7Å; I495-W542 HydrophobicContact CD1-CZ2 4.01Å; I495-W542 HydrophobicContact CG1-CH2 3.76Å; I495-W542 HydrophobicContact CG1-CZ2 3.81Å
496	K	93.1	Very high	93	Very high	118 Å²	118	53.6 Å²	53.6	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-51.5	177.7	-66.2	175.4	-172.1	173.8	0	110.2	E469 F492 Q493 S498 H499 D500	E469-K496 IonicContact OE1-NZ 3.76Å; E469-K496 PolarHBondContact OE1-NZ 2.92Å; F492-K496 PolarHBondContact O-N 3.22Å; Q493-K496 PolarHBondContact O-N 2.78Å; K496-S498 VanDerWaalsContact C-N 3.27Å; K496-S498 PolarHBondContact O-N 2.98Å; K496-H499 WeakPolarHBondContact O-CB 3.4Å; K496-H499 PolarHBondContact O-N 3.06Å; K496-D500 PolarHBondContact O-N 2.95Å
497	I	94.5	Very high	92.6	Very high	77 Å²	77	55.1 Å²	55.1	40%	0.395	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-39.8	177.5	-66.2	170.4	0	0	0	111.5	Q493 H499 D500 L501	Q493-I497 HydrophobicContact CG-CD1 3.81Å; Q493-I497 HydrophobicContact CG-CG1 4.37Å; Q493-I497 WeakPolarHBondContact O-CG1 3.49Å; Q493-I497 PolarHBondContact O-N 3.37Å; I497-H499 VanDerWaalsContact C-N 3.33Å; I497-H499 PolarHBondContact O-N 3.1Å; I497-D500 PolarHBondContact O-N 3.18Å; I497-L501 HydrophobicContact CG2-CD1 4Å; I497-L501 HydrophobicContact CG2-CG 4.37Å; I497-L501 WeakPolarHBondContact O-CG 3.46Å; I497-L501 PolarHBondContact O-N 3.15Å
498	S	93.7	Very high	92.2	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-68.7	-31.2	-178.6	-171.6	0	0	0	0	113.4	D494 I495 K496 T502 I534 K535 I536	D494-S498 WeakPolarHBondContact O-CB 3.46Å; D494-S498 PolarHBondContact O-N 3.09Å; I495-S498 PolarHBondContact O-N 2.87Å; K496-S498 VanDerWaalsContact C-N 3.27Å; K496-S498 PolarHBondContact O-N 2.98Å; S498-T502 PolarHBondContact O-N 3.29Å; S498-T502 PolarHBondContact O-OG1 2.92Å; S498-I534 PolarHBondContact OG-O 2.96Å; S498-K535 WeakPolarHBondContact OG-CA 3.37Å; S498-I536 PolarHBondContact OG-N 2.73Å
499	H	92.6	Very high	91.4	Very high	121 Å²	121	58 Å²	58	56%	0.56	28%	0.28	S	S	*	.	H	α-helix	trans	-66	-42.7	173.6	179.6	-85	0	0	0	110.9	I495 K496 I497 T502 S503	I495-H499 PolarHBondContact O-N 3.06Å; I495-H499 VanDerWaalsContact O-N 3.07Å; K496-H499 WeakPolarHBondContact O-CB 3.4Å; K496-H499 PolarHBondContact O-N 3.06Å; I497-H499 VanDerWaalsContact C-N 3.33Å; I497-H499 PolarHBondContact O-N 3.1Å; H499-T502 WeakPolarHBondContact O-CB 3.46Å; H499-T502 PolarHBondContact O-N 3.18Å; H499-S503 PolarHBondContact O-N 3.12Å; H499-S503 PolarHBondContact O-OG 3.25Å
500	D	92.9	Very high	90.3	Very high	91 Å²	91	61.9 Å²	61.9	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-45.8	176.6	-58.9	-21.8	0	0	0	110.8	K496 I497 T502 S503 E504	K496-D500 PolarHBondContact O-N 2.95Å; I497-D500 PolarHBondContact O-N 3.18Å; D500-T502 VanDerWaalsContact C-N 3.3Å; D500-T502 PolarHBondContact O-N 2.92Å; D500-S503 PolarHBondContact O-N 2.8Å; D500-S503 VanDerWaalsContact O-N 3.11Å; D500-E504 WeakPolarHBondContact O-CG 3.47Å; D500-E504 PolarHBondContact O-N 2.99Å
501	L	92.5	Very high	88.3	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-38.9	174.8	-74.3	171	0	0	0	112.9	I497 F505 I536 F568 Y569 K572	I497-L501 HydrophobicContact CG2-CD1 4Å; I497-L501 HydrophobicContact CG2-CG 4.37Å; I497-L501 WeakPolarHBondContact O-CG 3.46Å; I497-L501 PolarHBondContact O-N 3.15Å; L501-F505 WeakPolarHBondContact O-CB 3.34Å; L501-F505 PolarHBondContact O-N 3.45Å; L501-I536 HydrophobicContact CD1-CB 4.26Å; L501-I536 HydrophobicContact CD1-CD1 4.4Å; L501-F568 HydrophobicContact CD2-CE1 4.4Å; L501-Y569 HydrophobicContact CD1-CE2 4.28Å; L501-K572 HydrophobicContact CD2-CD 3.74Å; L501-K572 VanDerWaalsContact CD2-NZ 3.34Å
502	T	91.2	Very high	86.2	Confident	10 Å²	10	64.2 Å²	64.2	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-42.4	175.8	-64.3	0	0	0	0	111.3	S498 H499 D500 F505 K506 T533 I534	S498-T502 PolarHBondContact O-N 3.29Å; S498-T502 PolarHBondContact O-OG1 2.92Å; H499-T502 WeakPolarHBondContact O-CB 3.46Å; H499-T502 PolarHBondContact O-N 3.18Å; D500-T502 VanDerWaalsContact C-N 3.3Å; D500-T502 PolarHBondContact O-N 2.92Å; T502-F505 PolarHBondContact O-N 2.8Å; T502-K506 HydrophobicContact CG2-CD 4.39Å; T502-K506 WeakPolarHBondContact O-CG 3.15Å; T502-K506 PolarHBondContact O-N 3.04Å; T502-T533 HydrophobicContact CG2-CG2 4.35Å; T502-I534 PolarHBondContact OG1-N 2.62Å; T502-I534 PolarHBondContact OG1-O 3.38Å
503	S	90.5	Very high	83.9	Confident	45 Å²	45	68.2 Å²	68.2	32%	0.315	34%	0.342	S	S	.	.	H	α-helix	trans	-65	-47.1	-179.3	-57.2	0	0	0	0	110.8	H499 D500 F505 K506 E507	H499-S503 PolarHBondContact O-N 3.12Å; H499-S503 PolarHBondContact O-OG 3.25Å; D500-S503 PolarHBondContact O-N 2.8Å; D500-S503 VanDerWaalsContact O-N 3.11Å; S503-F505 VanDerWaalsContact C-N 3.35Å; S503-F505 PolarHBondContact O-N 2.97Å; S503-K506 PolarHBondContact O-N 3.12Å; S503-E507 WeakPolarHBondContact O-CG 3.47Å; S503-E507 PolarHBondContact O-N 2.82Å
504	E	90.3	Very high	81.3	Confident	77 Å²	77	71 Å²	71	36%	0.36	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-40.6	175.6	-70.9	-178.9	-140.6	0	0	112.8	D500 E507 K508 F568 K572	D500-E504 WeakPolarHBondContact O-CG 3.47Å; D500-E504 PolarHBondContact O-N 2.99Å; E504-E507 PolarHBondContact O-N 2.99Å; E504-K508 WeakPolarHBondContact O-CB 3.41Å; E504-K508 PolarHBondContact O-N 3.42Å; E504-F568 HydrophobicContact CB-CZ 4.03Å; E504-K572 IonicContact OE1-NZ 3.47Å; E504-K572 PolarHBondContact OE1-NZ 3.03Å; E504-K572 WeakPolarHBondContact OE2-CE 3.33Å; E504-K572 IonicContact OE2-NZ 2.76Å; E504-K572 PolarHBondContact OE2-NZ 3.25Å
505	F	88.3	Confident	78.7	Confident	4 Å²	4	75.2 Å²	75.2	2%	0.018	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-48.8	174.4	175.5	-97.2	0	0	0	110.7	L501 T502 S503 E507 K508 Y509 L529 I534 I565 F568	L501-F505 WeakPolarHBondContact O-CB 3.34Å; L501-F505 PolarHBondContact O-N 3.45Å; T502-F505 PolarHBondContact O-N 2.8Å; S503-F505 VanDerWaalsContact C-N 3.35Å; S503-F505 PolarHBondContact O-N 2.97Å; F505-E507 VanDerWaalsContact C-N 3.32Å; F505-E507 PolarHBondContact O-N 3.21Å; F505-K508 PolarHBondContact O-N 2.86Å; F505-Y509 AromaticContact CD2-CD2 3.65Å; F505-Y509 HydrophobicContact CD2-CD2 3.65Å; F505-Y509 AromaticContact CD2-CE2 3.58Å; F505-Y509 HydrophobicContact CD2-CE2 3.58Å; F505-Y509 AromaticContact CE2-CD2 3.51Å; F505-Y509 HydrophobicContact CE2-CD2 3.51Å; F505-Y509 AromaticContact CE2-CE2 3.39Å; F505-Y509 HydrophobicContact CE2-CE2 3.39Å; F505-Y509 HydrophobicContact CE2-CG 4.21Å; F505-Y509 AromaticContact CE2-CZ 3.98Å; F505-Y509 HydrophobicContact CG-CD2 4.28Å; F505-Y509 HydrophobicContact CZ-CD2 4.05Å; F505-Y509 HydrophobicContact CZ-CE2 4.29Å; F505-Y509 HydrophobicContact CZ-CG 4.35Å; F505-Y509 WeakPolarHBondContact O-CD2 3.31Å; F505-Y509 PolarHBondContact O-N 3.39Å; F505-Y509 VanDerWaalsContact O-N 3.15Å; F505-L529 HydrophobicContact CE1-CD2 3.81Å; F505-L529 HydrophobicContact CZ-CD2 4.37Å; F505-I534 HydrophobicContact CB-CD1 4.34Å; F505-I534 HydrophobicContact CD1-CD1 3.47Å; F505-I534 VanDerWaalsContact CD1-CD1 3.47Å; F505-I534 HydrophobicContact CD2-CD1 4.3Å; F505-I534 HydrophobicContact CE1-CD1 3.76Å; F505-I534 HydrophobicContact CG-CD1 3.77Å; F505-I534 HydrophobicContact CZ-CD1 4.3Å; F505-I565 HydrophobicContact CE1-CG1 4.3Å; F505-I565 HydrophobicContact CE2-CB 4.49Å; F505-I565 HydrophobicContact CE2-CG1 3.82Å; F505-I565 HydrophobicContact CZ-CG1 3.69Å; F505-F568 HydrophobicContact CB-CD1 4.12Å; F505-F568 HydrophobicContact CB-CE1 3.85Å; F505-F568 HydrophobicContact CB-CE2 4.41Å; F505-F568 HydrophobicContact CB-CZ 4.01Å; F505-F568 HydrophobicContact CD2-CB 3.85Å; F505-F568 AromaticContact CD2-CD1 3.78Å; F505-F568 HydrophobicContact CD2-CD1 3.78Å; F505-F568 HydrophobicContact CD2-CD2 4.2Å; F505-F568 HydrophobicContact CD2-CE1 4.38Å; F505-F568 AromaticContact CD2-CG 3.67Å; F505-F568 HydrophobicContact CD2-CG 3.67Å; F505-F568 HydrophobicContact CE2-CB 4.18Å; F505-F568 HydrophobicContact CE2-CG 4.48Å; F505-F568 HydrophobicContact CG-CD1 4.41Å
506	K	86.7	Confident	76	Confident	37 Å²	37	78.2 Å²	78.2	16%	0.161	41%	0.409	C	S	.	.	H	α-helix	trans	-58.9	-43.2	178	-73.8	-178.5	-177.6	-173.7	0	111.8	T502 S503 K510 L529 D530 I532	T502-K506 HydrophobicContact CG2-CD 4.39Å; T502-K506 WeakPolarHBondContact O-CG 3.15Å; T502-K506 PolarHBondContact O-N 3.04Å; S503-K506 PolarHBondContact O-N 3.12Å; K506-K510 VanDerWaalsContact O-CB 3.22Å; K506-K510 WeakPolarHBondContact O-CB 3.5Å; K506-K510 WeakPolarHBondContact O-CG 3.39Å; K506-K510 PolarHBondContact O-N 2.83Å; K506-L529 WeakPolarHBondContact CE-O 3.4Å; K506-D530 PolarHBondContact NZ-O 2.92Å; K506-I532 WeakPolarHBondContact CE-O 3.28Å; K506-I532 PolarHBondContact NZ-O 3.3Å
507	E	85.9	Confident	73.3	Confident	126 Å²	126	77.2 Å²	77.2	59%	0.589	41%	0.412	S	S	*	.	H	α-helix	trans	-63.3	-47.7	178.8	-73.6	-179.8	174.1	0	0	112.4	S503 E504 F505 Y509 K510 I511	S503-E507 WeakPolarHBondContact O-CG 3.47Å; S503-E507 PolarHBondContact O-N 2.82Å; E504-E507 PolarHBondContact O-N 2.99Å; F505-E507 VanDerWaalsContact C-N 3.32Å; F505-E507 PolarHBondContact O-N 3.21Å; E507-Y509 VanDerWaalsContact C-N 3.33Å; E507-Y509 PolarHBondContact O-N 3.3Å; E507-K510 PolarHBondContact O-N 2.93Å; E507-I511 WeakPolarHBondContact O-CD1 3.33Å; E507-I511 WeakPolarHBondContact O-CG1 2.93Å; E507-I511 PolarHBondContact O-N 3.23Å
508	K	83.4	Confident	70.3	Confident	84 Å²	84	79.7 Å²	79.7	37%	0.365	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-42.6	-178.6	-174.2	-179	-177.6	-178.3	0	112.5	E504 F505 F568	E504-K508 WeakPolarHBondContact O-CB 3.41Å; E504-K508 PolarHBondContact O-N 3.42Å; F505-K508 PolarHBondContact O-N 2.86Å; K508-F568 HydrophobicContact CD-CD2 3.79Å; K508-F568 HydrophobicContact CD-CE2 4.15Å
509	Y	77.3	Confident	67.4	Low	49 Å²	49	84.2 Å²	84.2	19%	0.192	47%	0.467	C	S	.	.	H	α-helix	trans	-89.7	-16.1	-175.8	-71.2	-96.7	0	0	0	113.4	F505 E507 Q564 F568	F505-Y509 AromaticContact CD2-CD2 3.65Å; F505-Y509 HydrophobicContact CD2-CD2 3.65Å; F505-Y509 AromaticContact CD2-CE2 3.58Å; F505-Y509 HydrophobicContact CD2-CE2 3.58Å; F505-Y509 AromaticContact CE2-CD2 3.51Å; F505-Y509 HydrophobicContact CE2-CD2 3.51Å; F505-Y509 AromaticContact CE2-CE2 3.39Å; F505-Y509 HydrophobicContact CE2-CE2 3.39Å; F505-Y509 HydrophobicContact CE2-CG 4.21Å; F505-Y509 AromaticContact CE2-CZ 3.98Å; F505-Y509 HydrophobicContact CG-CD2 4.28Å; F505-Y509 HydrophobicContact CZ-CD2 4.05Å; F505-Y509 HydrophobicContact CZ-CE2 4.29Å; F505-Y509 HydrophobicContact CZ-CG 4.35Å; F505-Y509 WeakPolarHBondContact O-CD2 3.31Å; F505-Y509 PolarHBondContact O-N 3.39Å; F505-Y509 VanDerWaalsContact O-N 3.15Å; E507-Y509 VanDerWaalsContact C-N 3.33Å; E507-Y509 PolarHBondContact O-N 3.3Å; Y509-Q564 HydrophobicContact CE1-CB 4.08Å; Y509-Q564 HydrophobicContact CE1-CG 4.45Å; Y509-Q564 PolarHBondContact OH-O 3.18Å; Y509-Q564 VanDerWaalsContact OH-O 3.13Å; Y509-F568 HydrophobicContact CE2-CB 4.02Å; Y509-F568 HydrophobicContact CE2-CD2 4.23Å; Y509-F568 HydrophobicContact CE2-CG 4.41Å
510	K	71.5	Confident	64.6	Low	115 Å²	115	83.7 Å²	83.7	50%	0.5	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-38.1	167	-86.8	-178.5	177.6	-171.3	0	112.9	K506 E507 S512 D530	K506-K510 VanDerWaalsContact O-CB 3.22Å; K506-K510 WeakPolarHBondContact O-CB 3.5Å; K506-K510 WeakPolarHBondContact O-CG 3.39Å; K506-K510 PolarHBondContact O-N 2.83Å; E507-K510 PolarHBondContact O-N 2.93Å; K510-S512 VanDerWaalsContact C-N 3.31Å; K510-D530 WeakPolarHBondContact CE-OD1 3.47Å; K510-D530 VanDerWaalsContact NZ-CG 3.3Å; K510-D530 IonicContact NZ-OD1 3.44Å; K510-D530 PolarHBondContact NZ-OD1 2.9Å; K510-D530 IonicContact NZ-OD2 3.98Å; K510-D530 PolarHBondContact NZ-OD2 3.11Å
511	I	54.5	Low	61.7	Low	140 Å²	140	84.2 Å²	84.2	72%	0.718	48%	0.478	S	S	*	.	S	Bend	trans	-81.3	-13.8	-173.3	-63	167.8	0	0	0	111.9	E507 P513	E507-I511 WeakPolarHBondContact O-CD1 3.33Å; E507-I511 WeakPolarHBondContact O-CG1 2.93Å; E507-I511 PolarHBondContact O-N 3.23Å; I511-P513 WeakPolarHBondContact O-CD 3.4Å
512	S	51	Low	58.7	Low	55 Å²	55	89.4 Å²	89.4	39%	0.385	52%	0.515	S	S	.	.			trans	-110.3	77.1	-177.2	-150.8	0	0	0	0	112.7	K510 Q514	K510-S512 VanDerWaalsContact C-N 3.31Å; S512-Q514 PolarHBondContact O-N 3.33Å
513	P	47.3	Very low	55.9	Low	105 Å²	105	96.3 Å²	96.3	68%	0.682	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	1.4	164.3	30.5	-31.1	0	0	0	112.3	I511	I511-P513 WeakPolarHBondContact O-CD 3.4Å
514	Q	39.5	Very low	53.4	Low	172 Å²	172	98.6 Å²	98.6	80%	0.804	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-0.4	-172.7	-59.3	-170.9	9.2	0	0	114.4	S512 S516	S512-Q514 PolarHBondContact O-N 3.33Å; Q514-S516 VanDerWaalsContact C-N 3.28Å
515	C	41.5	Very low	51.2	Low	108 Å²	108	100.7 Å²	100.7	73%	0.73	58%	0.584	S	S	*	*			trans	-97	52.8	160.1	-86.9	0	0	0	0	110	T517	C515-T517 PolarHBondContact O-N 3.26Å
516	S	36.9	Very low	49.6	Very low	97 Å²	97	105.9 Å²	105.9	68%	0.678	62%	0.621	S	S	*	*			trans	-65.5	95.3	149.6	48	0	0	0	0	106.7	Q514 S518	Q514-S516 VanDerWaalsContact C-N 3.28Å; S516-S518 PolarHBondContact O-N 2.65Å
517	T	37	Very low	48.1	Very low	96 Å²	96	107 Å²	107	59%	0.589	63%	0.629	S	S	*	*			trans	-40.7	127.2	153	-9.4	0	0	0	0	107.1	C515 C519	C515-T517 PolarHBondContact O-N 3.26Å; T517-C519 PolarHBondContact O-N 3.44Å
518	S	32.7	Very low	47.3	Very low	130 Å²	130	105.2 Å²	105.2	91%	0.909	62%	0.623	S	S	*	*	S	Bend	trans	-66.3	36.8	-174.1	37.3	0	0	0	0	114.1	S516	S516-S518 PolarHBondContact O-N 2.65Å
519	C	31	Very low	46.6	Very low	97 Å²	97	102.7 Å²	102.7	66%	0.655	61%	0.613	S	S	*	*			trans	-159.5	48.8	-172.4	53.2	0	0	0	0	114.1	T517	T517-C519 PolarHBondContact O-N 3.44Å
520	I	34.6	Very low	46.3	Very low	110 Å²	110	103.9 Å²	103.9	56%	0.564	62%	0.623	S	S	*	*			trans	-134.9	108.2	163.3	-52.7	178.1	0	0	0	110.5
521	S	32.3	Very low	46.7	Very low	103 Å²	103	104.2 Å²	104.2	72%	0.72	63%	0.629	S	S	*	*			trans	-52.9	141.4	169.1	45	0	0	0	0	112.4	N523	S521-N523 VanDerWaalsContact C-N 3.27Å; S521-N523 PolarHBondContact O-N 3.25Å
522	S	28.7	Very low	48.1	Very low	118 Å²	118	98.9 Å²	98.9	83%	0.825	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	30.6	-166.5	50.9	0	0	0	0	119
523	N	33.5	Very low	49.9	Very low	155 Å²	155	100.5 Å²	100.5	83%	0.829	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	11.3	-175.4	-86.1	-15.4	0	0	0	117.4	S521	S521-N523 VanDerWaalsContact C-N 3.27Å; S521-N523 PolarHBondContact O-N 3.25Å
524	T	38.3	Very low	51.9	Low	92 Å²	92	96.2 Å²	96.2	56%	0.564	58%	0.58	S	S	*	*	S	Bend	trans	-107.1	121.5	171.5	37.3	0	0	0	0	110.8	S526	T524-S526 PolarHBondContact O-N 2.95Å
525	P	44.2	Very low	54.4	Low	122 Å²	122	90.9 Å²	90.9	79%	0.792	56%	0.555	S	S	*	*			trans	-63	111.8	173	26	-30.2	0	0	0	107.5	L527	P525-L527 PolarHBondContact O-N 3.22Å
526	S	53.2	Low	56.9	Low	113 Å²	113	86.8 Å²	86.8	79%	0.79	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-52.9	124.5	174.6	45.6	0	0	0	0	108.7	T524 N528	T524-S526 PolarHBondContact O-N 2.95Å; S526-N528 PolarHBondContact O-N 3.49Å; S526-N528 VanDerWaalsContact O-N 3.14Å
527	L	56.6	Low	59.6	Low	61 Å²	61	84.5 Å²	84.5	32%	0.319	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-57.7	122.3	178	-122.5	132.1	0	0	0	107.8	P525 L529 E557 F561	P525-L527 PolarHBondContact O-N 3.22Å; L527-L529 PolarHBondContact O-N 3.18Å; L527-L529 VanDerWaalsContact O-N 3.1Å; L527-E557 HydrophobicContact CD1-CB 3.31Å; L527-E557 HydrophobicContact CD1-CG 4.18Å; L527-F561 HydrophobicContact CB-CE2 3.77Å; L527-F561 HydrophobicContact CB-CZ 4.03Å
528	N	67.6	Low	62.2	Low	87 Å²	87	81.8 Å²	81.8	47%	0.465	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-61.3	117.8	-178.2	-178.8	-8.9	0	0	0	109	S526 D530 I531	S526-N528 PolarHBondContact O-N 3.49Å; S526-N528 VanDerWaalsContact O-N 3.14Å; N528-D530 PolarHBondContact O-N 2.7Å; N528-D530 WeakPolarHBondContact OD1-CB 3.41Å; N528-D530 PolarHBondContact OD1-N 3.36Å; N528-I531 HydrophobicContact CB-CD1 3.86Å; N528-I531 HydrophobicContact CB-CG1 4.12Å; N528-I531 WeakPolarHBondContact O-CB 3.28Å; N528-I531 WeakPolarHBondContact O-CG1 3.42Å; N528-I531 PolarHBondContact O-N 2.87Å
529	L	69.7	Low	64.7	Low	32 Å²	32	77.7 Å²	77.7	17%	0.168	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-49.9	-26.5	178	-83.2	157.5	0	0	0	112.8	F505 K506 L527 I531 I532 F561	F505-L529 HydrophobicContact CE1-CD2 3.81Å; F505-L529 HydrophobicContact CZ-CD2 4.37Å; K506-L529 WeakPolarHBondContact CE-O 3.4Å; L527-L529 PolarHBondContact O-N 3.18Å; L527-L529 VanDerWaalsContact O-N 3.1Å; L529-I531 PolarHBondContact O-N 3.39Å; L529-I532 PolarHBondContact O-N 3.26Å; L529-F561 HydrophobicContact CD2-CD1 4.39Å; L529-F561 HydrophobicContact CD2-CE1 3.77Å; L529-F561 HydrophobicContact CG-CE1 4.32Å
530	D	71.6	Confident	67.3	Low	73 Å²	73	76.2 Å²	76.2	39%	0.39	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-63.1	-25	177.4	-74.9	-34.1	0	0	0	113.9	K506 K510 N528	K506-D530 PolarHBondContact NZ-O 2.92Å; K510-D530 WeakPolarHBondContact CE-OD1 3.47Å; K510-D530 VanDerWaalsContact NZ-CG 3.3Å; K510-D530 IonicContact NZ-OD1 3.44Å; K510-D530 PolarHBondContact NZ-OD1 2.9Å; K510-D530 IonicContact NZ-OD2 3.98Å; K510-D530 PolarHBondContact NZ-OD2 3.11Å; N528-D530 PolarHBondContact O-N 2.7Å; N528-D530 WeakPolarHBondContact OD1-CB 3.41Å; N528-D530 PolarHBondContact OD1-N 3.36Å
531	I	79.5	Confident	69.9	Low	122 Å²	122	71 Å²	71	63%	0.626	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-81.1	-21.6	-175.5	-53.8	171.4	0	0	0	111.7	N528 L529	N528-I531 HydrophobicContact CB-CD1 3.86Å; N528-I531 HydrophobicContact CB-CG1 4.12Å; N528-I531 WeakPolarHBondContact O-CB 3.28Å; N528-I531 WeakPolarHBondContact O-CG1 3.42Å; N528-I531 PolarHBondContact O-N 2.87Å; L529-I531 PolarHBondContact O-N 3.39Å
532	I	83.7	Confident	72.6	Confident	29 Å²	29	67 Å²	67	15%	0.149	41%	0.412	C	S	.	.			trans	-88.4	132	-175.3	-60.4	175.8	0	0	0	110.1	K506 L529 I534 F561	K506-I532 WeakPolarHBondContact CE-O 3.28Å; K506-I532 PolarHBondContact NZ-O 3.3Å; L529-I532 PolarHBondContact O-N 3.26Å; I532-I534 HydrophobicContact CG2-CG1 4.04Å; I532-F561 HydrophobicContact CD1-CD1 3.81Å; I532-F561 HydrophobicContact CD1-CD2 3.61Å; I532-F561 HydrophobicContact CD1-CE1 3.81Å; I532-F561 HydrophobicContact CD1-CE2 3.62Å; I532-F561 HydrophobicContact CD1-CG 3.71Å; I532-F561 HydrophobicContact CD1-CZ 3.72Å
533	T	88.1	Confident	74.9	Confident	89 Å²	89	63.4 Å²	63.4	55%	0.546	38%	0.383	S	S	.	.			trans	-123.2	128	171.8	-62.6	0	0	0	0	108.8	T502	T502-T533 HydrophobicContact CG2-CG2 4.35Å
534	I	90.4	Very high	76.4	Confident	15 Å²	15	60.8 Å²	60.8	8%	0.077	37%	0.369	C	S	.	.			trans	-108.5	127.2	-172.3	-51.7	166.3	0	0	0	109	S498 T502 F505 I532 I536 I565	S498-I534 PolarHBondContact OG-O 2.96Å; T502-I534 PolarHBondContact OG1-N 2.62Å; T502-I534 PolarHBondContact OG1-O 3.38Å; F505-I534 HydrophobicContact CB-CD1 4.34Å; F505-I534 HydrophobicContact CD1-CD1 3.47Å; F505-I534 VanDerWaalsContact CD1-CD1 3.47Å; F505-I534 HydrophobicContact CD2-CD1 4.3Å; F505-I534 HydrophobicContact CE1-CD1 3.76Å; F505-I534 HydrophobicContact CG-CD1 3.77Å; F505-I534 HydrophobicContact CZ-CD1 4.3Å; I532-I534 HydrophobicContact CG2-CG1 4.04Å; I534-I536 HydrophobicContact CG2-CD1 4.24Å; I534-I536 HydrophobicContact CG2-CG1 3.76Å; I534-I565 HydrophobicContact CD1-CB 4.47Å; I534-I565 HydrophobicContact CD1-CD1 3.54Å; I534-I565 HydrophobicContact CD1-CG1 3.59Å; I534-I565 HydrophobicContact CD1-CG2 4.06Å; I534-I565 HydrophobicContact CG1-CD1 3.9Å; I534-I565 HydrophobicContact CG1-CG1 4.48Å; I534-I565 HydrophobicContact CG2-CG2 4.05Å
535	K	91.7	Very high	77.7	Confident	60 Å²	60	61.2 Å²	61.2	26%	0.261	36%	0.36	S	S	.	.			trans	-108.4	96.1	176.1	-70.2	-177.9	-172	-90.7	0	110.8	I458 E460 S498 L537	I458-K535 HydrophobicContact CG2-CD 4.48Å; I458-K535 WeakPolarHBondContact O-CE 3.4Å; E460-K535 IonicContact OE1-NZ 2.73Å; E460-K535 PolarHBondContact OE1-NZ 3.01Å; S498-K535 WeakPolarHBondContact OG-CA 3.37Å; K535-L537 HydrophobicContact CB-CD1 4.38Å; K535-L537 HydrophobicContact CB-CG 4.38Å
536	I	93.2	Very high	78.5	Confident	21 Å²	21	61 Å²	61	11%	0.108	36%	0.359	C	S	.	.			trans	-96.6	111.2	176.5	-53	-174.4	0	0	0	108.9	S498 L501 I534 Y569 L578	S498-I536 PolarHBondContact OG-N 2.73Å; L501-I536 HydrophobicContact CD1-CB 4.26Å; L501-I536 HydrophobicContact CD1-CD1 4.4Å; I534-I536 HydrophobicContact CG2-CD1 4.24Å; I534-I536 HydrophobicContact CG2-CG1 3.76Å; I536-Y569 HydrophobicContact CD1-CD2 3.42Å; I536-Y569 VanDerWaalsContact CD1-CD2 3.42Å; I536-Y569 HydrophobicContact CD1-CE2 3.86Å; I536-Y569 HydrophobicContact CD1-CG 4.14Å; I536-Y569 HydrophobicContact CG2-CD2 4.22Å; I536-Y569 HydrophobicContact CG2-CE2 3.62Å; I536-L578 HydrophobicContact CD1-CD2 4.46Å; I536-L578 HydrophobicContact CG2-CD2 3.78Å
537	L	93.3	Very high	79.1	Confident	50 Å²	50	59 Å²	59	26%	0.262	34%	0.337	S	S	.	.			trans	-126.1	151.5	-167	-56	175.5	0	0	0	111.1	I458 D494 I495 K535 G539 W542	I458-L537 HydrophobicContact CG1-CD1 4.34Å; D494-L537 HydrophobicContact CB-CD2 4.01Å; I495-L537 HydrophobicContact CD1-CD2 4.07Å; K535-L537 HydrophobicContact CB-CD1 4.38Å; K535-L537 HydrophobicContact CB-CG 4.38Å; L537-G539 PolarHBondContact O-N 3.28Å; L537-W542 HydrophobicContact CB-CD2 4.18Å; L537-W542 HydrophobicContact CB-CG 4.03Å; L537-W542 HydrophobicContact CD1-CD2 3.78Å; L537-W542 HydrophobicContact CD1-CE3 3.84Å; L537-W542 HydrophobicContact CD1-CG 4.36Å; L537-W542 HydrophobicContact CD1-CH2 4.13Å; L537-W542 HydrophobicContact CD1-CZ2 4.05Å; L537-W542 HydrophobicContact CD1-CZ3 4.03Å; L537-W542 HydrophobicContact CD2-CH2 4.37Å; L537-W542 HydrophobicContact CD2-CZ2 3.73Å; L537-W542 HydrophobicContact CG-CD2 4.4Å; L537-W542 HydrophobicContact CG-CZ2 4.37Å
538	S	91.8	Very high	79.5	Confident	39 Å²	39	61 Å²	61	27%	0.273	35%	0.354	S	S	.	.			trans	-77.6	121.7	-179.6	69.7	0	0	0	0	112.1	D494 G540 A541 W542	D494-S538 VanDerWaalsContact OD2-CB 3.28Å; D494-S538 WeakPolarHBondContact OD2-CB 3.28Å; D494-S538 PolarHBondContact OD2-N 2.55Å; D494-S538 VanDerWaalsContact OD2-N 3.1Å; D494-S538 PolarHBondContact OD2-OG 2.99Å; S538-G540 VanDerWaalsContact C-N 3.29Å; S538-G540 PolarHBondContact O-N 2.93Å; S538-G540 VanDerWaalsContact O-N 3.17Å; S538-A541 PolarHBondContact O-N 3Å; S538-A541 WeakPolarHBondContact OG-CB 3.26Å; S538-W542 PolarHBondContact O-N 3.34Å
539	G	86.2	Confident	79.4	Confident	44 Å²	44	62.6 Å²	62.6	45%	0.454	36%	0.358	S	S	.	.	H	α-helix	trans	-53.4	-42.4	-176.2	0	0	0	0	0	114	L537 A541 W542 L543	L537-G539 PolarHBondContact O-N 3.28Å; G539-A541 PolarHBondContact O-N 2.94Å; G539-W542 PolarHBondContact O-N 2.77Å; G539-L543 WeakPolarHBondContact O-CB 3.43Å; G539-L543 PolarHBondContact O-N 3.05Å
540	G	85.5	Confident	79.3	Confident	65 Å²	65	62.7 Å²	62.7	67%	0.67	36%	0.361	S	S	*	.	H	α-helix	trans	-71.9	-19.4	-176.5	0	0	0	0	0	116.1	S538	S538-G540 VanDerWaalsContact C-N 3.29Å; S538-G540 PolarHBondContact O-N 2.93Å; S538-G540 VanDerWaalsContact O-N 3.17Å
541	A	88.8	Confident	79.5	Confident	2 Å²	2	63 Å²	63	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-90	-37.5	175	0	0	0	0	0	111.5	K450 R490 M491 S538 G539	K450-A541 WeakPolarHBondContact CE-O 3.32Å; K450-A541 PolarHBondContact NZ-O 2.62Å; R490-A541 HydrophobicContact CB-CB 4.15Å; R490-A541 HydrophobicContact CG-CB 3.93Å; M491-A541 HydrophobicContact CG-CB 4.24Å; S538-A541 PolarHBondContact O-N 3Å; S538-A541 WeakPolarHBondContact OG-CB 3.26Å; G539-A541 PolarHBondContact O-N 2.94Å
542	W	88.3	Confident	79.9	Confident	18 Å²	18	58.2 Å²	58.2	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-92.5	-47.8	-170.8	-68.4	78.8	0	0	0	113.1	K450 T454 L457 I458 M491 D494 I495 L537 S538 G539	K450-W542 PolarHBondContact NZ-O 3.13Å; T454-W542 HydrophobicContact CG2-CE3 3.75Å; T454-W542 HydrophobicContact CG2-CZ3 3.97Å; L457-W542 HydrophobicContact CB-CH2 3.73Å; L457-W542 HydrophobicContact CB-CZ3 4.21Å; L457-W542 HydrophobicContact CD1-CH2 3.77Å; L457-W542 HydrophobicContact CD1-CZ2 4.38Å; L457-W542 HydrophobicContact CG-CH2 4.42Å; I458-W542 HydrophobicContact CD1-CE3 4.21Å; I458-W542 HydrophobicContact CD1-CZ3 4.02Å; I458-W542 HydrophobicContact CG1-CE3 4.41Å; I458-W542 HydrophobicContact CG1-CH2 4.48Å; I458-W542 HydrophobicContact CG1-CZ3 3.76Å; M491-W542 HydrophobicContact CB-CH2 4.19Å; M491-W542 HydrophobicContact CB-CZ2 3.64Å; M491-W542 HydrophobicContact CE-CD2 4.15Å; M491-W542 HydrophobicContact CE-CE3 3.79Å; M491-W542 HydrophobicContact CE-CH2 4.15Å; M491-W542 HydrophobicContact CE-CZ2 4.49Å; M491-W542 HydrophobicContact CE-CZ3 3.78Å; M491-W542 HydrophobicContact CG-CD2 3.99Å; M491-W542 HydrophobicContact CG-CG 4.3Å; M491-W542 HydrophobicContact CG-CZ2 4.03Å; M491-W542 WeakPolarHBondContact O-CZ2 3.47Å; D494-W542 HydrophobicContact CB-CZ2 4.3Å; D494-W542 PolarHBondContact OD2-NE1 2.96Å; I495-W542 HydrophobicContact CD1-CH2 3.7Å; I495-W542 HydrophobicContact CD1-CZ2 4.01Å; I495-W542 HydrophobicContact CG1-CH2 3.76Å; I495-W542 HydrophobicContact CG1-CZ2 3.81Å; L537-W542 HydrophobicContact CB-CD2 4.18Å; L537-W542 HydrophobicContact CB-CG 4.03Å; L537-W542 HydrophobicContact CD1-CD2 3.78Å; L537-W542 HydrophobicContact CD1-CE3 3.84Å; L537-W542 HydrophobicContact CD1-CG 4.36Å; L537-W542 HydrophobicContact CD1-CH2 4.13Å; L537-W542 HydrophobicContact CD1-CZ2 4.05Å; L537-W542 HydrophobicContact CD1-CZ3 4.03Å; L537-W542 HydrophobicContact CD2-CH2 4.37Å; L537-W542 HydrophobicContact CD2-CZ2 3.73Å; L537-W542 HydrophobicContact CG-CD2 4.4Å; L537-W542 HydrophobicContact CG-CZ2 4.37Å; S538-W542 PolarHBondContact O-N 3.34Å; G539-W542 PolarHBondContact O-N 2.77Å
543	L	78	Confident	80.2	Confident	43 Å²	43	59.5 Å²	59.5	23%	0.225	36%	0.357	C	S	.	.			trans	-87.1	140.7	-176.1	-57	176.1	0	0	0	110.6	G539	G539-L543 WeakPolarHBondContact O-CB 3.43Å; G539-L543 PolarHBondContact O-N 3.05Å
544	L	63.9	Low	80.3	Confident	99 Å²	99	56.1 Å²	56.1	52%	0.518	34%	0.335	S	S	.	.	S	Bend	trans	-76.6	-41.6	171.2	-80.2	161	0	0	0	110.8	E710	L544-E710 HydrophobicContact CD1-CG 3.68Å
545	R	65.5	Low	80.1	Confident	102 Å²	102	55.7 Å²	55.7	39%	0.385	33%	0.333	S	S	.	.	S	Bend	trans	-140	150.6	172.2	-67.9	-174.6	-177.1	167.3	0.9	109.4	Q547 E716	R545-Q547 PolarHBondContact O-N 2.8Å; R545-E716 IonicContact CZ-OE1 3.2Å; R545-E716 IonicContact CZ-OE2 3.59Å; R545-E716 IonicContact NH2-OE1 2.63Å; R545-E716 PolarHBondContact NH2-OE1 3.46Å; R545-E716 IonicContact NH2-OE2 3.53Å; R545-E716 PolarHBondContact NH2-OE2 2.9Å
546	P	62.7	Low	79.8	Confident	118 Å²	118	55.4 Å²	55.4	77%	0.766	34%	0.342	S	S	*	.			trans	-60.3	110.4	166.5	-13.5	27.3	0	0	0	108.2
547	Q	64.7	Low	79.1	Confident	70 Å²	70	57.7 Å²	57.7	33%	0.327	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-80.1	140.5	172.6	-74.6	-90.4	-22.3	0	0	108.2	R545 E709	R545-Q547 PolarHBondContact O-N 2.8Å; Q547-E709 PolarHBondContact NE2-OE2 2.82Å
548	P	64.8	Low	78.7	Confident	104 Å²	104	57.9 Å²	57.9	68%	0.675	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57.5	144.4	170.8	24.5	-31	0	0	0	109.5	S550	P548-S550 PolarHBondContact O-N 3.43Å; P548-S550 VanDerWaalsContact O-N 3.14Å
549	Q	66.2	Low	78.3	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-58.5	122.1	176.9	-89.2	-179.9	-32.8	0	0	109.5	S551 L579	Q549-S551 PolarHBondContact O-N 2.98Å; Q549-L579 HydrophobicContact CG-CD1 3.61Å; Q549-L579 HydrophobicContact CG-CG 4.5Å
550	S	67	Low	78.1	Confident	34 Å²	34	62.7 Å²	62.7	24%	0.238	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.2	119.1	168	-44.4	0	0	0	0	107.7	P548 I552 Y605	P548-S550 PolarHBondContact O-N 3.43Å; P548-S550 VanDerWaalsContact O-N 3.14Å; S550-I552 PolarHBondContact O-N 3.34Å; S550-Y605 PolarHBondContact OG-OH 2.79Å; S550-Y605 VanDerWaalsContact OG-OH 3.09Å
551	S	76.7	Confident	77.9	Confident	79 Å²	79	60.8 Å²	60.8	55%	0.552	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-60.7	121.2	165.3	53.6	0	0	0	0	107.5	Q549 G631	Q549-S551 PolarHBondContact O-N 2.98Å; S551-G631 CarbonylContact C-O 3.6Å; S551-G631 CarbonylContact O-C 3.51Å; S551-G631 VanDerWaalsContact O-C 3.32Å; S551-G631 PolarHBondContact OG-O 3.35Å
552	I	87.9	Confident	77.8	Confident	23 Å²	23	62.3 Å²	62.3	12%	0.118	34%	0.344	C	S	.	.			trans	-144.5	136.5	175.3	-171.7	173.7	0	0	0	107.8	S550 L554 H582 T604 Y605 V608 L632	S550-I552 PolarHBondContact O-N 3.34Å; I552-L554 HydrophobicContact CD1-CD2 4.45Å; I552-L554 HydrophobicContact CG2-CD2 4.42Å; I552-L554 HydrophobicContact CG2-CG 4.26Å; I552-L554 PolarHBondContact O-N 3.1Å; I552-H582 HydrophobicContact CG2-CB 4.11Å; I552-H582 WeakPolarHBondContact CG2-CD2 3.5Å; I552-T604 HydrophobicContact CD1-CG2 4.22Å; I552-Y605 HydrophobicContact CD1-CD1 3.62Å; I552-Y605 HydrophobicContact CD1-CE1 3.88Å; I552-V608 HydrophobicContact CD1-CB 4.08Å; I552-V608 HydrophobicContact CD1-CG1 4.36Å; I552-V608 HydrophobicContact CD1-CG2 3.65Å; I552-V608 HydrophobicContact CG1-CB 4.29Å; I552-V608 HydrophobicContact CG1-CG1 4.05Å; I552-V608 HydrophobicContact CG1-CG2 3.92Å; I552-L632 HydrophobicContact CB-CD2 4.33Å; I552-L632 HydrophobicContact CD1-CD2 3.85Å; I552-L632 HydrophobicContact CG1-CD2 3.93Å; I552-L632 HydrophobicContact CG1-CG 4.47Å
553	S	90.5	Very high	77.8	Confident	56 Å²	56	64.8 Å²	64.8	39%	0.392	36%	0.362	S	S	.	.			trans	-89.6	102.3	175	-60.3	0	0	0	0	108.6	V608 T630	S553-V608 WeakPolarHBondContact O-CG1 3.31Å; S553-V608 WeakPolarHBondContact O-CG2 3.28Å; S553-T630 PolarHBondContact N-O 3.34Å
554	L	89.3	Confident	78.2	Confident	18 Å²	18	65.8 Å²	65.8	9%	0.094	37%	0.365	C	S	.	.			trans	-80.2	156.5	-179.8	-70.9	170.2	0	0	0	109.9	I552 A556 E559 L562 T604 V608	I552-L554 HydrophobicContact CD1-CD2 4.45Å; I552-L554 HydrophobicContact CG2-CD2 4.42Å; I552-L554 HydrophobicContact CG2-CG 4.26Å; I552-L554 PolarHBondContact O-N 3.1Å; L554-A556 PolarHBondContact O-N 3.38Å; L554-E559 HydrophobicContact CB-CG 3.58Å; L554-E559 PolarHBondContact N-OE1 3.13Å; L554-L562 HydrophobicContact CD1-CD1 3.79Å; L554-T604 HydrophobicContact CD2-CG2 3.6Å; L554-V608 HydrophobicContact CD2-CG2 4Å
555	P	87	Confident	79.4	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.032	34%	0.342	C	S	.	.			trans	-53.2	139.3	166.4	-22.9	32.6	0	0	0	110.5	E557 L558 E559 L607 Y611	P555-E557 WeakPolarHBondContact CB-OE2 3.49Å; P555-E557 PolarHBondContact O-N 3.3Å; P555-E557 VanDerWaalsContact O-N 3.09Å; P555-L558 HydrophobicContact CG-CD1 4.25Å; P555-L558 WeakPolarHBondContact O-CA 3.08Å; P555-L558 PolarHBondContact O-N 2.96Å; P555-E559 PolarHBondContact O-N 3.09Å; P555-L607 HydrophobicContact CG-CD2 3.57Å; P555-Y611 HydrophobicContact CB-CD1 4.2Å; P555-Y611 HydrophobicContact CB-CD2 4.06Å; P555-Y611 HydrophobicContact CB-CE1 3.92Å; P555-Y611 HydrophobicContact CB-CE2 3.74Å; P555-Y611 HydrophobicContact CB-CG 4.27Å; P555-Y611 HydrophobicContact CG-CD1 4.07Å; P555-Y611 HydrophobicContact CG-CD2 3.88Å; P555-Y611 HydrophobicContact CG-CE1 4.3Å; P555-Y611 HydrophobicContact CG-CE2 4.09Å; P555-Y611 HydrophobicContact CG-CG 3.85Å
556	A	83.9	Confident	80.6	Confident	55 Å²	55	59.6 Å²	59.6	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-53	-36.7	179.9	0	0	0	0	0	111.5	L554 L558 E559 D560	L554-A556 PolarHBondContact O-N 3.38Å; A556-L558 PolarHBondContact O-N 3.49Å; A556-E559 PolarHBondContact O-N 2.93Å; A556-D560 VanDerWaalsContact O-CG 3.29Å; A556-D560 PolarHBondContact O-N 3.34Å; A556-D560 VanDerWaalsContact O-N 3.08Å
557	E	79.6	Confident	81.9	Confident	68 Å²	68	57.3 Å²	57.3	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-17.7	-179.9	-45.8	88	159.2	0	0	113.6	L527 P555 F561 Y611	L527-E557 HydrophobicContact CD1-CB 3.31Å; L527-E557 HydrophobicContact CD1-CG 4.18Å; P555-E557 WeakPolarHBondContact CB-OE2 3.49Å; P555-E557 PolarHBondContact O-N 3.3Å; P555-E557 VanDerWaalsContact O-N 3.09Å; E557-F561 WeakPolarHBondContact O-CD2 3.49Å; E557-F561 VanDerWaalsContact O-CE2 3.23Å; E557-F561 WeakPolarHBondContact O-CE2 3.47Å; E557-Y611 PolarHBondContact OE1-OH 2.79Å; E557-Y611 VanDerWaalsContact OE1-OH 3.07Å; E557-Y611 PolarHBondContact OE2-OH 3.18Å
558	L	83.8	Confident	83.1	Confident	55 Å²	55	54.5 Å²	54.5	29%	0.288	31%	0.307	S	S	.	.	H	α-helix	trans	-96.8	-36.3	171.6	-64.4	-176.8	0	0	0	112	P555 A556 D560 F561 L607	P555-L558 HydrophobicContact CG-CD1 4.25Å; P555-L558 WeakPolarHBondContact O-CA 3.08Å; P555-L558 PolarHBondContact O-N 2.96Å; A556-L558 PolarHBondContact O-N 3.49Å; L558-D560 VanDerWaalsContact C-N 3.26Å; L558-D560 PolarHBondContact O-N 3.23Å; L558-F561 PolarHBondContact O-N 3.29Å; L558-L607 HydrophobicContact CD1-CD2 4.46Å
559	E	84.6	Confident	84.4	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-38.7	177.4	-70.1	-170.2	164.2	0	0	111.7	L554 P555 A556 F561 L562 P563	L554-E559 HydrophobicContact CB-CG 3.58Å; L554-E559 PolarHBondContact N-OE1 3.13Å; P555-E559 PolarHBondContact O-N 3.09Å; A556-E559 PolarHBondContact O-N 2.93Å; E559-F561 PolarHBondContact O-N 2.86Å; E559-F561 VanDerWaalsContact O-N 3.14Å; E559-L562 PolarHBondContact O-N 2.93Å; E559-P563 WeakPolarHBondContact O-CD 3.47Å
560	D	82.4	Confident	85.7	Confident	92 Å²	92	51.8 Å²	51.8	49%	0.492	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.5	179.2	-70.7	-19.3	0	0	0	113.8	A556 L558 Q564	A556-D560 VanDerWaalsContact O-CG 3.29Å; A556-D560 PolarHBondContact O-N 3.34Å; A556-D560 VanDerWaalsContact O-N 3.08Å; L558-D560 VanDerWaalsContact C-N 3.26Å; L558-D560 PolarHBondContact O-N 3.23Å; D560-Q564 PolarHBondContact O-NE2 2.98Å
561	F	80.2	Confident	86.8	Confident	25 Å²	25	56.4 Å²	56.4	11%	0.11	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-27.1	178.5	-74.5	-78.4	0	0	0	113.6	L527 L529 I532 E557 L558 E559 Q564 I565	L527-F561 HydrophobicContact CB-CE2 3.77Å; L527-F561 HydrophobicContact CB-CZ 4.03Å; L529-F561 HydrophobicContact CD2-CD1 4.39Å; L529-F561 HydrophobicContact CD2-CE1 3.77Å; L529-F561 HydrophobicContact CG-CE1 4.32Å; I532-F561 HydrophobicContact CD1-CD1 3.81Å; I532-F561 HydrophobicContact CD1-CD2 3.61Å; I532-F561 HydrophobicContact CD1-CE1 3.81Å; I532-F561 HydrophobicContact CD1-CE2 3.62Å; I532-F561 HydrophobicContact CD1-CG 3.71Å; I532-F561 HydrophobicContact CD1-CZ 3.72Å; E557-F561 WeakPolarHBondContact O-CD2 3.49Å; E557-F561 VanDerWaalsContact O-CE2 3.23Å; E557-F561 WeakPolarHBondContact O-CE2 3.47Å; L558-F561 PolarHBondContact O-N 3.29Å; E559-F561 PolarHBondContact O-N 2.86Å; E559-F561 VanDerWaalsContact O-N 3.14Å; F561-Q564 WeakPolarHBondContact O-CB 3.42Å; F561-Q564 PolarHBondContact O-N 2.76Å; F561-Q564 VanDerWaalsContact O-N 3.14Å; F561-I565 HydrophobicContact CB-CD1 4.42Å; F561-I565 WeakPolarHBondContact O-CG1 3.43Å; F561-I565 PolarHBondContact O-N 2.95Å
562	L	87.3	Confident	87.4	Confident	35 Å²	35	56.6 Å²	56.6	18%	0.183	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-46.7	-174.2	-55.3	-178.2	0	0	0	112.3	L554 E559 Q564 I565 E566 W580	L554-L562 HydrophobicContact CD1-CD1 3.79Å; E559-L562 PolarHBondContact O-N 2.93Å; L562-Q564 VanDerWaalsContact C-N 3.31Å; L562-Q564 PolarHBondContact O-N 2.77Å; L562-I565 PolarHBondContact O-N 2.81Å; L562-E566 WeakPolarHBondContact O-CG 3.02Å; L562-E566 PolarHBondContact O-N 2.9Å; L562-W580 HydrophobicContact CB-CZ2 3.99Å; L562-W580 HydrophobicContact CD2-CD2 4.02Å; L562-W580 HydrophobicContact CD2-CE3 3.94Å; L562-W580 HydrophobicContact CD2-CH2 3.55Å; L562-W580 HydrophobicContact CD2-CZ2 3.64Å; L562-W580 HydrophobicContact CD2-CZ3 3.71Å; L562-W580 HydrophobicContact CG-CZ2 4.36Å
563	P	87.8	Confident	87.5	Confident	69 Å²	69	58 Å²	58	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-37.6	176.5	-22.6	34.1	0	0	0	112.8	E559 I565 E566 D567	E559-P563 WeakPolarHBondContact O-CD 3.47Å; P563-I565 VanDerWaalsContact C-N 3.34Å; P563-I565 PolarHBondContact O-N 3.49Å; P563-E566 PolarHBondContact O-N 2.8Å; P563-D567 WeakPolarHBondContact O-CB 3.25Å; P563-D567 PolarHBondContact O-N 2.83Å
564	Q	86.9	Confident	87.4	Confident	64 Å²	64	63.8 Å²	63.8	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-40.1	178.7	-60.6	179.3	46.5	0	0	111.6	Y509 D560 F561 L562 F568	Y509-Q564 HydrophobicContact CE1-CB 4.08Å; Y509-Q564 HydrophobicContact CE1-CG 4.45Å; Y509-Q564 PolarHBondContact OH-O 3.18Å; Y509-Q564 VanDerWaalsContact OH-O 3.13Å; D560-Q564 PolarHBondContact O-NE2 2.98Å; F561-Q564 WeakPolarHBondContact O-CB 3.42Å; F561-Q564 PolarHBondContact O-N 2.76Å; F561-Q564 VanDerWaalsContact O-N 3.14Å; L562-Q564 VanDerWaalsContact C-N 3.31Å; L562-Q564 PolarHBondContact O-N 2.77Å; Q564-F568 WeakPolarHBondContact O-CB 3.06Å; Q564-F568 PolarHBondContact O-N 2.82Å
565	I	88.7	Confident	87.4	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-41.8	176.6	-62.8	168.4	0	0	0	110.5	F505 I534 F561 L562 P563 F568 Y569 L578 W580	F505-I565 HydrophobicContact CE1-CG1 4.3Å; F505-I565 HydrophobicContact CE2-CB 4.49Å; F505-I565 HydrophobicContact CE2-CG1 3.82Å; F505-I565 HydrophobicContact CZ-CG1 3.69Å; I534-I565 HydrophobicContact CD1-CB 4.47Å; I534-I565 HydrophobicContact CD1-CD1 3.54Å; I534-I565 HydrophobicContact CD1-CG1 3.59Å; I534-I565 HydrophobicContact CD1-CG2 4.06Å; I534-I565 HydrophobicContact CG1-CD1 3.9Å; I534-I565 HydrophobicContact CG1-CG1 4.48Å; I534-I565 HydrophobicContact CG2-CG2 4.05Å; F561-I565 HydrophobicContact CB-CD1 4.42Å; F561-I565 WeakPolarHBondContact O-CG1 3.43Å; F561-I565 PolarHBondContact O-N 2.95Å; L562-I565 PolarHBondContact O-N 2.81Å; P563-I565 VanDerWaalsContact C-N 3.34Å; P563-I565 PolarHBondContact O-N 3.49Å; I565-F568 PolarHBondContact O-N 3.46Å; I565-Y569 WeakPolarHBondContact O-CB 3.47Å; I565-Y569 PolarHBondContact O-N 3.07Å; I565-L578 HydrophobicContact CG2-CD1 4.24Å; I565-W580 HydrophobicContact CB-CH2 3.99Å; I565-W580 HydrophobicContact CB-CZ2 4.26Å; I565-W580 HydrophobicContact CD1-CH2 3.84Å; I565-W580 HydrophobicContact CG2-CH2 3.77Å; I565-W580 HydrophobicContact CG2-CZ2 4.23Å
566	E	90.8	Very high	87.6	Confident	65 Å²	65	74.2 Å²	74.2	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-44.6	176.3	-73.8	178.8	-169.8	0	0	112.2	L562 P563 Y569 R570 L578 W580	L562-E566 WeakPolarHBondContact O-CG 3.02Å; L562-E566 PolarHBondContact O-N 2.9Å; P563-E566 PolarHBondContact O-N 2.8Å; E566-Y569 PolarHBondContact O-N 2.9Å; E566-R570 VanDerWaalsContact O-CB 3.24Å; E566-R570 WeakPolarHBondContact O-CB 3.45Å; E566-R570 PolarHBondContact O-N 3.3Å; E566-L578 HydrophobicContact CG-CD1 4.2Å; E566-W580 HydrophobicContact CG-CZ2 4.2Å; E566-W580 PolarHBondContact OE1-NE1 2.95Å
567	D	89.4	Confident	87.8	Confident	70 Å²	70	77 Å²	77	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-66.7	-42	177.8	-77.1	-23.1	0	0	0	111.8	P563 Y569 R570 Q571	P563-D567 WeakPolarHBondContact O-CB 3.25Å; P563-D567 PolarHBondContact O-N 2.83Å; D567-Y569 VanDerWaalsContact C-N 3.33Å; D567-Y569 PolarHBondContact O-N 2.84Å; D567-R570 PolarHBondContact O-N 2.82Å; D567-R570 IonicContact OD1-CZ 3.26Å; D567-R570 IonicContact OD1-NH1 3.99Å; D567-R570 PolarHBondContact OD1-NH1 2.77Å; D567-Q571 WeakPolarHBondContact O-CB 3.43Å; D567-Q571 VanDerWaalsContact O-CG 3.24Å; D567-Q571 WeakPolarHBondContact O-CG 3.35Å; D567-Q571 PolarHBondContact O-N 3.28Å
568	F	90.5	Very high	88.3	Confident	12 Å²	12	75.8 Å²	75.8	5%	0.053	39%	0.391	C	S	.	.	H	α-helix	trans	-55.8	-49.5	171.7	169.4	-105.2	0	0	0	111.5	L501 E504 F505 K508 Y509 Q564 I565 Q571 K572	L501-F568 HydrophobicContact CD2-CE1 4.4Å; E504-F568 HydrophobicContact CB-CZ 4.03Å; F505-F568 HydrophobicContact CB-CD1 4.12Å; F505-F568 HydrophobicContact CB-CE1 3.85Å; F505-F568 HydrophobicContact CB-CE2 4.41Å; F505-F568 HydrophobicContact CB-CZ 4.01Å; F505-F568 HydrophobicContact CD2-CB 3.85Å; F505-F568 AromaticContact CD2-CD1 3.78Å; F505-F568 HydrophobicContact CD2-CD1 3.78Å; F505-F568 HydrophobicContact CD2-CD2 4.2Å; F505-F568 HydrophobicContact CD2-CE1 4.38Å; F505-F568 AromaticContact CD2-CG 3.67Å; F505-F568 HydrophobicContact CD2-CG 3.67Å; F505-F568 HydrophobicContact CE2-CB 4.18Å; F505-F568 HydrophobicContact CE2-CG 4.48Å; F505-F568 HydrophobicContact CG-CD1 4.41Å; K508-F568 HydrophobicContact CD-CD2 3.79Å; K508-F568 HydrophobicContact CD-CE2 4.15Å; Y509-F568 HydrophobicContact CE2-CB 4.02Å; Y509-F568 HydrophobicContact CE2-CD2 4.23Å; Y509-F568 HydrophobicContact CE2-CG 4.41Å; Q564-F568 WeakPolarHBondContact O-CB 3.06Å; Q564-F568 PolarHBondContact O-N 2.82Å; I565-F568 PolarHBondContact O-N 3.46Å; F568-Q571 PolarHBondContact O-N 2.9Å; F568-K572 PolarHBondContact O-N 3.49Å
569	Y	92.1	Very high	88.5	Confident	22 Å²	22	77.2 Å²	77.2	9%	0.086	40%	0.398	C	S	.	.	H	α-helix	trans	-67.6	-41.2	-177.6	-167.2	-104.9	0	0	0	112	L501 I536 I565 E566 D567 Q571 K572 H573 R576 L578	L501-Y569 HydrophobicContact CD1-CE2 4.28Å; I536-Y569 HydrophobicContact CD1-CD2 3.42Å; I536-Y569 VanDerWaalsContact CD1-CD2 3.42Å; I536-Y569 HydrophobicContact CD1-CE2 3.86Å; I536-Y569 HydrophobicContact CD1-CG 4.14Å; I536-Y569 HydrophobicContact CG2-CD2 4.22Å; I536-Y569 HydrophobicContact CG2-CE2 3.62Å; I565-Y569 WeakPolarHBondContact O-CB 3.47Å; I565-Y569 PolarHBondContact O-N 3.07Å; E566-Y569 PolarHBondContact O-N 2.9Å; D567-Y569 VanDerWaalsContact C-N 3.33Å; D567-Y569 PolarHBondContact O-N 2.84Å; Y569-Q571 VanDerWaalsContact C-N 3.35Å; Y569-Q571 PolarHBondContact O-N 3.34Å; Y569-K572 PolarHBondContact O-N 3.16Å; Y569-H573 AromaticContact CD2-CD2 3.88Å; Y569-H573 HydrophobicContact CE1-CB 4.25Å; Y569-H573 AromaticContact CE2-CD2 3.42Å; Y569-H573 VanDerWaalsContact CE2-CD2 3.42Å; Y569-H573 WeakPolarHBondContact CE2-CD2 3.29Å; Y569-H573 AromaticContact CZ-CD2 3.75Å; Y569-H573 PolarHBondContact O-N 3.17Å; Y569-R576 HydrophobicContact CE1-CB 3.79Å; Y569-L578 HydrophobicContact CD1-CD1 4.19Å; Y569-L578 HydrophobicContact CD1-CD2 3.55Å; Y569-L578 HydrophobicContact CD1-CG 3.75Å; Y569-L578 HydrophobicContact CD2-CD2 4.43Å; Y569-L578 HydrophobicContact CE1-CD2 3.66Å; Y569-L578 HydrophobicContact CE1-CG 4.31Å; Y569-L578 HydrophobicContact CG-CD1 4.07Å; Y569-L578 HydrophobicContact CG-CD2 3.95Å; Y569-L578 HydrophobicContact CG-CG 4.14Å
570	R	92.5	Very high	88.7	Confident	143 Å²	143	75.1 Å²	75.1	54%	0.54	39%	0.386	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177.8	-172.8	-174.8	-62.4	155.2	3.8	112	E566 D567 K572 H573	E566-R570 VanDerWaalsContact O-CB 3.24Å; E566-R570 WeakPolarHBondContact O-CB 3.45Å; E566-R570 PolarHBondContact O-N 3.3Å; D567-R570 PolarHBondContact O-N 2.82Å; D567-R570 IonicContact OD1-CZ 3.26Å; D567-R570 IonicContact OD1-NH1 3.99Å; D567-R570 PolarHBondContact OD1-NH1 2.77Å; R570-K572 VanDerWaalsContact C-N 3.31Å; R570-K572 PolarHBondContact O-N 3.19Å; R570-H573 CarbonylContact O-C 3.52Å
571	Q	90.7	Very high	88.9	Confident	131 Å²	131	72 Å²	72	61%	0.612	37%	0.369	S	S	*	.	H	α-helix	trans	-64.1	-36.8	176.8	-73.6	173.4	25.3	0	0	112	D567 F568 Y569	D567-Q571 WeakPolarHBondContact O-CB 3.43Å; D567-Q571 VanDerWaalsContact O-CG 3.24Å; D567-Q571 WeakPolarHBondContact O-CG 3.35Å; D567-Q571 PolarHBondContact O-N 3.28Å; F568-Q571 PolarHBondContact O-N 2.9Å; Y569-Q571 VanDerWaalsContact C-N 3.35Å; Y569-Q571 PolarHBondContact O-N 3.34Å
572	K	89.6	Confident	89.2	Confident	84 Å²	84	72 Å²	72	37%	0.365	37%	0.369	S	S	.	.	H	α-helix	trans	-81.5	-34	179.6	-164.9	175	-178.3	177.4	0	113.1	L501 E504 F568 Y569 R570	L501-K572 HydrophobicContact CD2-CD 3.74Å; L501-K572 VanDerWaalsContact CD2-NZ 3.34Å; E504-K572 IonicContact OE1-NZ 3.47Å; E504-K572 PolarHBondContact OE1-NZ 3.03Å; E504-K572 WeakPolarHBondContact OE2-CE 3.33Å; E504-K572 IonicContact OE2-NZ 2.76Å; E504-K572 PolarHBondContact OE2-NZ 3.25Å; F568-K572 PolarHBondContact O-N 3.49Å; Y569-K572 PolarHBondContact O-N 3.16Å; R570-K572 VanDerWaalsContact C-N 3.31Å; R570-K572 PolarHBondContact O-N 3.19Å
573	H	90.1	Very high	88.9	Confident	51 Å²	51	72.2 Å²	72.2	24%	0.236	37%	0.369	C	S	.	.	S	Bend	trans	-133.2	93.8	-173.5	-62.3	-65.1	0	0	0	111.7	Y569 R570 R576	Y569-H573 AromaticContact CD2-CD2 3.88Å; Y569-H573 HydrophobicContact CE1-CB 4.25Å; Y569-H573 AromaticContact CE2-CD2 3.42Å; Y569-H573 VanDerWaalsContact CE2-CD2 3.42Å; Y569-H573 WeakPolarHBondContact CE2-CD2 3.29Å; Y569-H573 AromaticContact CZ-CD2 3.75Å; Y569-H573 PolarHBondContact O-N 3.17Å; R570-H573 CarbonylContact O-C 3.52Å; H573-R576 HydrophobicContact CB-CB 4.44Å; H573-R576 HydrophobicContact CB-CG 4.34Å
574	Q	89.3	Confident	88.7	Confident	179 Å²	179	70.2 Å²	70.2	84%	0.836	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	141.2	175.9	-63	-178	3.3	0	0	111.6	R576	Q574-R576 VanDerWaalsContact C-N 3.3Å; Q574-R576 PolarHBondContact O-N 2.92Å
575	G	89	Confident	88.8	Confident	90 Å²	90	69.5 Å²	69.5	93%	0.928	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	6.8	177.4	0	0	0	0	0	115.4
576	R	90.1	Very high	88.9	Confident	151 Å²	151	72.7 Å²	72.7	57%	0.57	37%	0.371	S	S	*	.			trans	-108.6	140	174	-59.6	-169.8	-177.1	176.7	-1.2	110.9	Y569 H573 Q574	Y569-R576 HydrophobicContact CE1-CB 3.79Å; H573-R576 HydrophobicContact CB-CB 4.44Å; H573-R576 HydrophobicContact CB-CG 4.34Å; Q574-R576 VanDerWaalsContact C-N 3.3Å; Q574-R576 PolarHBondContact O-N 2.92Å
577	S	88.4	Confident	88.8	Confident	115 Å²	115	70.5 Å²	70.5	80%	0.804	37%	0.366	S	S	*	.			trans	-113.5	150.1	171.7	54.9	0	0	0	0	110.5
578	L	90.1	Very high	88.9	Confident	42 Å²	42	70.7 Å²	70.7	22%	0.22	37%	0.369	C	S	.	.			trans	-94.7	140.8	174.8	-65.4	-179.8	0	0	0	109.9	I536 I565 E566 Y569	I536-L578 HydrophobicContact CD1-CD2 4.46Å; I536-L578 HydrophobicContact CG2-CD2 3.78Å; I565-L578 HydrophobicContact CG2-CD1 4.24Å; E566-L578 HydrophobicContact CG-CD1 4.2Å; Y569-L578 HydrophobicContact CD1-CD1 4.19Å; Y569-L578 HydrophobicContact CD1-CD2 3.55Å; Y569-L578 HydrophobicContact CD1-CG 3.75Å; Y569-L578 HydrophobicContact CD2-CD2 4.43Å; Y569-L578 HydrophobicContact CE1-CD2 3.66Å; Y569-L578 HydrophobicContact CE1-CG 4.31Å; Y569-L578 HydrophobicContact CG-CD1 4.07Å; Y569-L578 HydrophobicContact CG-CD2 3.95Å; Y569-L578 HydrophobicContact CG-CG 4.14Å
579	L	88.6	Confident	89	Confident	85 Å²	85	71.7 Å²	71.7	45%	0.445	38%	0.375	S	S	.	.			trans	-118.1	111.7	171.6	-175.7	75.9	0	0	0	108.1	Q549	Q549-L579 HydrophobicContact CG-CD1 3.61Å; Q549-L579 HydrophobicContact CG-CG 4.5Å
580	W	87.6	Confident	88.9	Confident	46 Å²	46	72.8 Å²	72.8	17%	0.174	39%	0.389	C	S	.	.			trans	-72	130.2	179.8	-62.2	101.5	0	0	0	111.7	L562 I565 E566 H582	L562-W580 HydrophobicContact CB-CZ2 3.99Å; L562-W580 HydrophobicContact CD2-CD2 4.02Å; L562-W580 HydrophobicContact CD2-CE3 3.94Å; L562-W580 HydrophobicContact CD2-CH2 3.55Å; L562-W580 HydrophobicContact CD2-CZ2 3.64Å; L562-W580 HydrophobicContact CD2-CZ3 3.71Å; L562-W580 HydrophobicContact CG-CZ2 4.36Å; I565-W580 HydrophobicContact CB-CH2 3.99Å; I565-W580 HydrophobicContact CB-CZ2 4.26Å; I565-W580 HydrophobicContact CD1-CH2 3.84Å; I565-W580 HydrophobicContact CG2-CH2 3.77Å; I565-W580 HydrophobicContact CG2-CZ2 4.23Å; E566-W580 HydrophobicContact CG-CZ2 4.2Å; E566-W580 PolarHBondContact OE1-NE1 2.95Å; W580-H582 WeakPolarHBondContact CB-NE2 3.49Å
581	Q	86.7	Confident	88.9	Confident	28 Å²	28	66.6 Å²	66.6	13%	0.131	37%	0.365	C	S	.	.			trans	-117.7	71.1	-179.6	-63.4	-66.2	-73.5	0	0	109.9	H583 L584	Q581-H583 PolarHBondContact O-N 2.84Å; Q581-H583 VanDerWaalsContact O-N 3.12Å; Q581-H583 PolarHBondContact OE1-CE1 3.09Å; Q581-L584 HydrophobicContact CB-CD1 4.18Å; Q581-L584 HydrophobicContact CB-CG 4.44Å; Q581-L584 PolarHBondContact O-N 2.9Å
582	H	87.1	Confident	89	Confident	24 Å²	24	65 Å²	65	11%	0.111	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-59.7	-27.3	-171.3	-59.6	-60.6	0	0	0	114.4	I552 W580 L584 S585 T604 Y605	I552-H582 HydrophobicContact CG2-CB 4.11Å; I552-H582 WeakPolarHBondContact CG2-CD2 3.5Å; W580-H582 WeakPolarHBondContact CB-NE2 3.49Å; H582-L584 PolarHBondContact O-N 3.17Å; H582-S585 WeakPolarHBondContact O-CB 3.48Å; H582-S585 PolarHBondContact O-N 2.83Å; H582-S585 VanDerWaalsContact O-N 3.15Å; H582-T604 HydrophobicContact CB-CG2 4.28Å; H582-T604 WeakPolarHBondContact O-CB 3.47Å; H582-T604 PolarHBondContact O-OG1 3.04Å; H582-Y605 HydrophobicContact CB-CE1 4.39Å
583	H	81.8	Confident	89	Confident	40 Å²	40	61.5 Å²	61.5	19%	0.185	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-65.1	-24.3	176.4	64.7	-92.3	0	0	0	113.7	Q581 Y605 L701	Q581-H583 PolarHBondContact O-N 2.84Å; Q581-H583 VanDerWaalsContact O-N 3.12Å; Q581-H583 PolarHBondContact OE1-CE1 3.09Å; H583-Y605 HydrophobicContact CB-CE1 4.19Å; H583-Y605 HydrophobicContact CB-CE2 4.05Å; H583-L701 PolarHBondContact CD2-O 3.36Å
584	L	83.4	Confident	89	Confident	26 Å²	26	64.2 Å²	64.2	14%	0.136	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-90.5	-15.7	175.4	-59.5	178.6	0	0	0	112.7	I458 Q581 H582 L701	I458-L584 HydrophobicContact CD1-CB 4.15Å; I458-L584 HydrophobicContact CD1-CD1 3.86Å; I458-L584 HydrophobicContact CD1-CD2 4.38Å; I458-L584 HydrophobicContact CD1-CG 4.34Å; I458-L584 WeakPolarHBondContact CG2-O 3.43Å; Q581-L584 HydrophobicContact CB-CD1 4.18Å; Q581-L584 HydrophobicContact CB-CG 4.44Å; Q581-L584 PolarHBondContact O-N 2.9Å; H582-L584 PolarHBondContact O-N 3.17Å; L584-L701 HydrophobicContact CD2-CB 4.03Å
585	S	88	Confident	88.9	Confident	49 Å²	49	60.5 Å²	60.5	34%	0.343	35%	0.349	S	S	.	.			trans	-78.8	153.8	179.5	-63.6	0	0	0	0	111.2	H582 T604	H582-S585 WeakPolarHBondContact O-CB 3.48Å; H582-S585 PolarHBondContact O-N 2.83Å; H582-S585 VanDerWaalsContact O-N 3.15Å; S585-T604 WeakPolarHBondContact CB-OG1 3.35Å; S585-T604 PolarHBondContact O-N 3.33Å; S585-T604 PolarHBondContact O-OG1 3.06Å
586	H	90.6	Very high	88.8	Confident	74 Å²	74	57.4 Å²	57.4	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.5	179.3	67.1	-77.7	0	0	0	110.1	V602 I696	H586-V602 CarbonylContact C-O 3.58Å; H586-V602 VanDerWaalsContact CA-O 3.27Å; H586-V602 WeakPolarHBondContact CA-O 3.33Å; H586-V602 VanDerWaalsContact CB-O 3.29Å; H586-V602 WeakPolarHBondContact CB-O 3.49Å; H586-I696 HydrophobicContact CB-CD1 3.6Å
587	G	90.2	Very high	88.8	Confident	18 Å²	18	57.7 Å²	57.7	19%	0.186	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	177	179.9	0	0	0	0	0	112.4	E601 V602	G587-E601 CarbonylContact O-C 3.55Å; G587-E601 WeakPolarHBondContact O-CA 3.41Å; G587-V602 PolarHBondContact N-O 3.23Å; G587-V602 PolarHBondContact O-N 2.93Å
588	V	91.1	Very high	89.1	Confident	74 Å²	74	52.6 Å²	52.6	45%	0.448	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122	174.4	-178.1	0	0	0	0	108.7	E599 F600 E601	V588-E599 HydrophobicContact CG1-CB 3.92Å; V588-E599 HydrophobicContact CG1-CG 4.38Å; V588-F600 CarbonylContact C-O 3.55Å; V588-F600 VanDerWaalsContact CA-O 3.3Å; V588-F600 WeakPolarHBondContact CA-O 3.4Å; V588-E601 HydrophobicContact CG2-CB 4.42Å; V588-E601 HydrophobicContact CG2-CG 4.3Å
589	L	91.4	Very high	89.2	Confident	34 Å²	34	54.6 Å²	54.6	18%	0.178	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.9	177.5	-170.7	129.9	0	0	0	110.3	E599 F600 V602 L607	L589-E599 CarbonylContact O-C 3.53Å; L589-E599 WeakPolarHBondContact O-CA 3.19Å; L589-F600 PolarHBondContact N-O 3.01Å; L589-F600 PolarHBondContact O-N 3.2Å; L589-V602 HydrophobicContact CB-CG2 4.26Å; L589-L607 HydrophobicContact CD1-CG 4.26Å
590	A	91.6	Very high	89.4	Confident	45 Å²	45	50.6 Å²	50.6	37%	0.372	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	118.3	171	0	0	0	0	0	109.8	Y598	A590-Y598 CarbonylContact C-O 3.23Å; A590-Y598 WeakPolarHBondContact CA-O 3.37Å
591	Y	92.3	Very high	89.6	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.8	178.1	-177.9	-96.4	0	0	0	110.5	R597 Y598 F600 I654 L675 N676 F679	Y591-R597 CarbonylContact O-C 3.51Å; Y591-R597 WeakPolarHBondContact O-CA 3.42Å; Y591-Y598 PolarHBondContact N-O 3.04Å; Y591-Y598 PolarHBondContact O-N 3.36Å; Y591-F600 VanDerWaalsContact CB-CD2 3.43Å; Y591-F600 AromaticContact CD1-CE2 3.65Å; Y591-F600 HydrophobicContact CD1-CE2 3.65Å; Y591-F600 HydrophobicContact CD1-CZ 4.26Å; Y591-F600 HydrophobicContact CD2-CD2 4.49Å; Y591-F600 HydrophobicContact CD2-CE2 4.05Å; Y591-F600 HydrophobicContact CE1-CE2 4.48Å; Y591-F600 AromaticContact CG-CD2 3.97Å; Y591-F600 HydrophobicContact CG-CD2 3.97Å; Y591-F600 AromaticContact CG-CE2 3.4Å; Y591-F600 HydrophobicContact CG-CE2 3.4Å; Y591-F600 HydrophobicContact CG-CZ 4.41Å; Y591-I654 HydrophobicContact CE2-CG2 4.22Å; Y591-L675 HydrophobicContact CE2-CD1 4.2Å; Y591-L675 HydrophobicContact CE2-CD2 4.3Å; Y591-N676 PolarHBondContact OH-O 2.94Å; Y591-F679 HydrophobicContact CE1-CB 4.02Å; Y591-F679 HydrophobicContact CE1-CD1 4.5Å; Y591-F679 HydrophobicContact CE1-CG 4.49Å
592	T	91.8	Very high	89.9	Confident	99 Å²	99	48.8 Å²	48.8	61%	0.607	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.7	178.7	-56.2	0	0	0	0	109.4
593	S	90.3	Very high	90	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	169.5	171.8	70.3	0	0	0	0	110.3	H595 G596 Y598 L677 F679	S593-H595 PolarHBondContact O-N 2.79Å; S593-H595 VanDerWaalsContact O-N 3.1Å; S593-H595 PolarHBondContact OG-N 2.81Å; S593-G596 PolarHBondContact N-O 2.89Å; S593-G596 PolarHBondContact O-N 3.39Å; S593-G596 PolarHBondContact OG-N 3.35Å; S593-G596 PolarHBondContact OG-O 2.75Å; S593-Y598 WeakPolarHBondContact OG-CE2 3.4Å; S593-L677 CarbonylContact C-O 3.58Å; S593-L677 WeakPolarHBondContact CA-O 3.28Å; S593-L677 VanDerWaalsContact CB-O 3.29Å; S593-L677 WeakPolarHBondContact CB-O 3.4Å; S593-F679 PolarHBondContact OG-O 3.49Å
594	D	89.3	Confident	90.4	Very high	108 Å²	108	47 Å²	47	58%	0.578	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.4	170.2	-62.1	-14.9	0	0	0	112.1	L677 K678	D594-L677 PolarHBondContact N-O 3.2Å; D594-K678 WeakPolarHBondContact OD2-CG 3.48Å
595	H	86.8	Confident	90.8	Very high	101 Å²	101	46.7 Å²	46.7	47%	0.468	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	11.5	178.8	-56.3	-65.8	0	0	0	113.2	S593 K678 T680 R691	S593-H595 PolarHBondContact O-N 2.79Å; S593-H595 VanDerWaalsContact O-N 3.1Å; S593-H595 PolarHBondContact OG-N 2.81Å; H595-K678 PolarHBondContact CD2-O 2.63Å; H595-T680 HydrophobicContact CB-CG2 3.73Å; H595-T680 WeakPolarHBondContact CD2-CG2 2.96Å; H595-R691 PolarHBondContact O-NH1 3.24Å
596	G	88.1	Confident	91	Very high	26 Å²	26	44.4 Å²	44.4	27%	0.268	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	107.6	-168.8	172.5	0	0	0	0	0	114.1	S593	S593-G596 PolarHBondContact N-O 2.89Å; S593-G596 PolarHBondContact O-N 3.39Å; S593-G596 PolarHBondContact OG-N 3.35Å; S593-G596 PolarHBondContact OG-O 2.75Å
597	R	90.6	Very high	91.1	Very high	157 Å²	157	41.8 Å²	41.8	59%	0.592	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.1	-171.1	-169.1	175.9	177.9	176.9	1.6	112	Y591 R691	Y591-R597 CarbonylContact O-C 3.51Å; Y591-R597 WeakPolarHBondContact O-CA 3.42Å; R597-R691 WeakPolarHBondContact O-CD 3.14Å; R597-R691 PolarHBondContact O-NH1 2.81Å
598	Y	93.2	Very high	91.2	Very high	8 Å²	8	41.2 Å²	41.2	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.5	173.7	-67.6	-84.4	0	0	0	110.1	A590 Y591 S593 F679 N681 R691 I693	A590-Y598 CarbonylContact C-O 3.23Å; A590-Y598 WeakPolarHBondContact CA-O 3.37Å; Y591-Y598 PolarHBondContact N-O 3.04Å; Y591-Y598 PolarHBondContact O-N 3.36Å; S593-Y598 WeakPolarHBondContact OG-CE2 3.4Å; Y598-F679 HydrophobicContact CD1-CE1 4.11Å; Y598-F679 AromaticContact CD2-CD1 3.81Å; Y598-F679 HydrophobicContact CD2-CD1 3.81Å; Y598-F679 AromaticContact CD2-CE1 3.99Å; Y598-F679 HydrophobicContact CD2-CE1 3.99Å; Y598-F679 HydrophobicContact CE1-CE1 4.17Å; Y598-F679 AromaticContact CE2-CD1 3.73Å; Y598-F679 HydrophobicContact CE2-CD1 3.73Å; Y598-F679 HydrophobicContact CE2-CE1 4.01Å; Y598-F679 HydrophobicContact CG-CD1 4.32Å; Y598-F679 HydrophobicContact CG-CE1 4.04Å; Y598-N681 HydrophobicContact CE1-CB 3.73Å; Y598-N681 PolarHBondContact OH-N 3.41Å; Y598-R691 CarbonylContact C-O 3.57Å; Y598-R691 WeakPolarHBondContact CA-O 3.41Å; Y598-R691 HydrophobicContact CD1-CB 4.46Å; Y598-I693 HydrophobicContact CD1-CD1 4.04Å
599	E	93.5	Very high	91.3	Very high	84 Å²	84	37.7 Å²	37.7	39%	0.393	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.5	172.6	-71.7	180	175.7	0	0	109	V588 L589 R691 R692 I693	V588-E599 HydrophobicContact CG1-CB 3.92Å; V588-E599 HydrophobicContact CG1-CG 4.38Å; L589-E599 CarbonylContact O-C 3.53Å; L589-E599 WeakPolarHBondContact O-CA 3.19Å; E599-R691 PolarHBondContact N-O 3.01Å; E599-R692 HydrophobicContact CB-CB 4.16Å; E599-R692 HydrophobicContact CB-CG 4.03Å; E599-R692 CarbonylContact O-C 3.58Å; E599-R692 VanDerWaalsContact O-CA 3.28Å; E599-R692 WeakPolarHBondContact O-CA 3.28Å; E599-I693 PolarHBondContact O-N 2.94Å
600	F	92.8	Very high	91.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.3	178.5	-67.9	-49.2	0	0	0	110.7	V588 L589 Y591 V602 I654 F679 I693 L695	V588-F600 CarbonylContact C-O 3.55Å; V588-F600 VanDerWaalsContact CA-O 3.3Å; V588-F600 WeakPolarHBondContact CA-O 3.4Å; L589-F600 PolarHBondContact N-O 3.01Å; L589-F600 PolarHBondContact O-N 3.2Å; Y591-F600 VanDerWaalsContact CB-CD2 3.43Å; Y591-F600 AromaticContact CD1-CE2 3.65Å; Y591-F600 HydrophobicContact CD1-CE2 3.65Å; Y591-F600 HydrophobicContact CD1-CZ 4.26Å; Y591-F600 HydrophobicContact CD2-CD2 4.49Å; Y591-F600 HydrophobicContact CD2-CE2 4.05Å; Y591-F600 HydrophobicContact CE1-CE2 4.48Å; Y591-F600 AromaticContact CG-CD2 3.97Å; Y591-F600 HydrophobicContact CG-CD2 3.97Å; Y591-F600 AromaticContact CG-CE2 3.4Å; Y591-F600 HydrophobicContact CG-CE2 3.4Å; Y591-F600 HydrophobicContact CG-CZ 4.41Å; F600-V602 HydrophobicContact CB-CG1 3.9Å; F600-V602 PolarHBondContact O-N 3.4Å; F600-I654 HydrophobicContact CD1-CD1 4.25Å; F600-I654 HydrophobicContact CD2-CD1 4.26Å; F600-I654 HydrophobicContact CE1-CD1 3.84Å; F600-I654 HydrophobicContact CE1-CG1 4.46Å; F600-I654 HydrophobicContact CE2-CD1 3.84Å; F600-I654 HydrophobicContact CE2-CG1 4.14Å; F600-I654 HydrophobicContact CE2-CG2 4.17Å; F600-I654 HydrophobicContact CG-CD1 4.48Å; F600-I654 HydrophobicContact CZ-CD1 3.64Å; F600-I654 HydrophobicContact CZ-CG1 3.88Å; F600-F679 HydrophobicContact CE1-CE1 4.12Å; F600-F679 HydrophobicContact CE1-CZ 4.09Å; F600-F679 HydrophobicContact CZ-CD1 4.15Å; F600-F679 AromaticContact CZ-CE1 3.66Å; F600-F679 HydrophobicContact CZ-CE1 3.66Å; F600-F679 AromaticContact CZ-CZ 3.87Å; F600-F679 HydrophobicContact CZ-CZ 3.87Å; F600-I693 WeakPolarHBondContact CA-O 3.31Å; F600-I693 HydrophobicContact CD1-CB 3.82Å; F600-I693 HydrophobicContact CD1-CD1 4.4Å; F600-I693 HydrophobicContact CD1-CG2 4.21Å; F600-I693 HydrophobicContact CE1-CB 3.94Å; F600-I693 HydrophobicContact CE1-CD1 3.69Å; F600-I693 HydrophobicContact CE1-CG1 4.39Å; F600-I693 HydrophobicContact CE1-CG2 4.21Å; F600-L695 HydrophobicContact CB-CD1 3.8Å; F600-L695 HydrophobicContact CB-CG 4.44Å; F600-L695 HydrophobicContact CD1-CD1 3.62Å; F600-L695 HydrophobicContact CD1-CD2 4.42Å; F600-L695 HydrophobicContact CD1-CG 4.02Å; F600-L695 HydrophobicContact CD2-CD1 4.34Å; F600-L695 HydrophobicContact CE1-CD1 4.25Å; F600-L695 HydrophobicContact CG-CD1 3.7Å; F600-L695 HydrophobicContact CG-CG 4.46Å
601	E	91.8	Very high	91.5	Very high	36 Å²	36	37.3 Å²	37.3	17%	0.168	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.3	167.2	-165.2	-169.4	156.8	0	0	108.1	G587 V588 I693 N694 L695 I696	G587-E601 CarbonylContact O-C 3.55Å; G587-E601 WeakPolarHBondContact O-CA 3.41Å; V588-E601 HydrophobicContact CG2-CB 4.42Å; V588-E601 HydrophobicContact CG2-CG 4.3Å; E601-I693 PolarHBondContact N-O 3.11Å; E601-N694 HydrophobicContact CB-CB 4.3Å; E601-N694 PolarHBondContact OE1-ND2 3.04Å; E601-N694 PolarHBondContact OE2-ND2 3.13Å; E601-L695 WeakPolarHBondContact O-CA 3.41Å; E601-L695 WeakPolarHBondContact O-CB 3.27Å; E601-L695 PolarHBondContact O-N 3.26Å; E601-I696 HydrophobicContact CG-CD1 3.84Å; E601-I696 HydrophobicContact CG-CG1 4.5Å; E601-I696 PolarHBondContact O-N 3.16Å
602	V	91.7	Very high	91.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.3	-167.1	-73.2	0	0	0	0	111.1	H586 G587 L589 F600 Q606 L607 L610 L695	H586-V602 CarbonylContact C-O 3.58Å; H586-V602 VanDerWaalsContact CA-O 3.27Å; H586-V602 WeakPolarHBondContact CA-O 3.33Å; H586-V602 VanDerWaalsContact CB-O 3.29Å; H586-V602 WeakPolarHBondContact CB-O 3.49Å; G587-V602 PolarHBondContact N-O 3.23Å; G587-V602 PolarHBondContact O-N 2.93Å; L589-V602 HydrophobicContact CB-CG2 4.26Å; F600-V602 HydrophobicContact CB-CG1 3.9Å; F600-V602 PolarHBondContact O-N 3.4Å; V602-Q606 HydrophobicContact CB-CB 3.87Å; V602-Q606 HydrophobicContact CG1-CB 4.19Å; V602-L607 HydrophobicContact CG2-CB 3.91Å; V602-L607 HydrophobicContact CG2-CD1 4.48Å; V602-L607 HydrophobicContact CG2-CG 4.49Å; V602-L610 HydrophobicContact CG1-CD1 4.37Å; V602-L695 HydrophobicContact CG1-CB 4.11Å; V602-L695 HydrophobicContact CG1-CD1 3.76Å; V602-L695 HydrophobicContact CG1-CG 4.39Å
603	T	90.3	Very high	91.7	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.104	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	158.8	166.4	61.3	0	0	0	0	110.5	Y605 Q606 L607 I696 L701	T603-Y605 PolarHBondContact O-N 3.4Å; T603-Q606 PolarHBondContact O-N 3.2Å; T603-Q606 WeakPolarHBondContact OG1-CB 3.49Å; T603-Q606 VanDerWaalsContact OG1-CG 3.28Å; T603-Q606 WeakPolarHBondContact OG1-CG 3.4Å; T603-Q606 PolarHBondContact OG1-N 3Å; T603-Q606 PolarHBondContact OG1-OE1 3.17Å; T603-Q606 VanDerWaalsContact OG1-OE1 3.1Å; T603-L607 WeakPolarHBondContact O-CB 3.36Å; T603-L607 PolarHBondContact O-N 3.46Å; T603-I696 HydrophobicContact CG2-CG1 4.28Å; T603-I696 HydrophobicContact CG2-CG2 4.11Å; T603-L701 HydrophobicContact CG2-CD2 3.98Å
604	T	90.7	Very high	91.7	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-35	176.9	-46	0	0	0	0	112.4	I552 L554 H582 S585 L607 V608	I552-T604 HydrophobicContact CD1-CG2 4.22Å; L554-T604 HydrophobicContact CD2-CG2 3.6Å; H582-T604 HydrophobicContact CB-CG2 4.28Å; H582-T604 WeakPolarHBondContact O-CB 3.47Å; H582-T604 PolarHBondContact O-OG1 3.04Å; S585-T604 WeakPolarHBondContact CB-OG1 3.35Å; S585-T604 PolarHBondContact O-N 3.33Å; S585-T604 PolarHBondContact O-OG1 3.06Å; T604-L607 WeakPolarHBondContact O-CB 3.43Å; T604-L607 PolarHBondContact O-N 3.39Å; T604-V608 HydrophobicContact CG2-CG2 4.44Å; T604-V608 WeakPolarHBondContact O-CG2 3.39Å; T604-V608 PolarHBondContact O-N 2.84Å
605	Y	90.6	Very high	91.6	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.078	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-46.8	177.6	-68.6	0.3	0	0	0	111.1	S550 I552 H582 H583 T603 L607 V608 V609 L632 D636	S550-Y605 PolarHBondContact OG-OH 2.79Å; S550-Y605 VanDerWaalsContact OG-OH 3.09Å; I552-Y605 HydrophobicContact CD1-CD1 3.62Å; I552-Y605 HydrophobicContact CD1-CE1 3.88Å; H582-Y605 HydrophobicContact CB-CE1 4.39Å; H583-Y605 HydrophobicContact CB-CE1 4.19Å; H583-Y605 HydrophobicContact CB-CE2 4.05Å; T603-Y605 PolarHBondContact O-N 3.4Å; Y605-L607 VanDerWaalsContact C-N 3.27Å; Y605-L607 PolarHBondContact O-N 3.19Å; Y605-V608 PolarHBondContact O-N 3.16Å; Y605-V609 WeakPolarHBondContact O-CB 3.48Å; Y605-V609 VanDerWaalsContact O-CG2 3.27Å; Y605-V609 WeakPolarHBondContact O-CG2 3.48Å; Y605-V609 PolarHBondContact O-N 2.93Å; Y605-L632 HydrophobicContact CD1-CD2 3.71Å; Y605-L632 HydrophobicContact CD2-CD2 4.3Å; Y605-L632 HydrophobicContact CE1-CD2 3.75Å; Y605-L632 HydrophobicContact CE2-CD2 4.35Å; Y605-L632 HydrophobicContact CG-CD1 4.44Å; Y605-L632 HydrophobicContact CG-CD2 3.98Å; Y605-D636 HydrophobicContact CD2-CB 4.41Å; Y605-D636 HydrophobicContact CE2-CB 4.14Å
606	Q	91.9	Very high	91.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-38.9	173.5	-72.9	169.7	-35	0	0	111.7	V602 T603 V609 L610 T640 S643 L644 L695 L699	V602-Q606 HydrophobicContact CB-CB 3.87Å; V602-Q606 HydrophobicContact CG1-CB 4.19Å; T603-Q606 PolarHBondContact O-N 3.2Å; T603-Q606 WeakPolarHBondContact OG1-CB 3.49Å; T603-Q606 VanDerWaalsContact OG1-CG 3.28Å; T603-Q606 WeakPolarHBondContact OG1-CG 3.4Å; T603-Q606 PolarHBondContact OG1-N 3Å; T603-Q606 PolarHBondContact OG1-OE1 3.17Å; T603-Q606 VanDerWaalsContact OG1-OE1 3.1Å; Q606-V609 PolarHBondContact O-N 2.89Å; Q606-L610 WeakPolarHBondContact O-CB 3.33Å; Q606-L610 VanDerWaalsContact O-CG 3.28Å; Q606-L610 WeakPolarHBondContact O-CG 3.31Å; Q606-L610 PolarHBondContact O-N 2.8Å; Q606-T640 HydrophobicContact CB-CG2 4.29Å; Q606-T640 HydrophobicContact CG-CG2 3.76Å; Q606-S643 PolarHBondContact NE2-OG 2.81Å; Q606-L644 HydrophobicContact CB-CD1 4.46Å; Q606-L644 HydrophobicContact CB-CD2 4.23Å; Q606-L644 HydrophobicContact CG-CD1 4.39Å; Q606-L644 HydrophobicContact CG-CD2 4Å; Q606-L644 HydrophobicContact CG-CG 4.17Å; Q606-L695 PolarHBondContact NE2-O 3.26Å; Q606-L699 VanDerWaalsContact NE2-CD1 3.27Å
607	L	92.7	Very high	91.8	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.099	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-51.5	177.1	-174	156.3	0	0	0	110.9	P555 L558 L589 V602 T603 T604 Y605 V609 L610 Y611	P555-L607 HydrophobicContact CG-CD2 3.57Å; L558-L607 HydrophobicContact CD1-CD2 4.46Å; L589-L607 HydrophobicContact CD1-CG 4.26Å; V602-L607 HydrophobicContact CG2-CB 3.91Å; V602-L607 HydrophobicContact CG2-CD1 4.48Å; V602-L607 HydrophobicContact CG2-CG 4.49Å; T603-L607 WeakPolarHBondContact O-CB 3.36Å; T603-L607 PolarHBondContact O-N 3.46Å; T604-L607 WeakPolarHBondContact O-CB 3.43Å; T604-L607 PolarHBondContact O-N 3.39Å; Y605-L607 VanDerWaalsContact C-N 3.27Å; Y605-L607 PolarHBondContact O-N 3.19Å; L607-V609 PolarHBondContact O-N 3Å; L607-L610 PolarHBondContact O-N 2.84Å; L607-Y611 VanDerWaalsContact O-CB 3.25Å; L607-Y611 WeakPolarHBondContact O-CB 3.42Å; L607-Y611 PolarHBondContact O-N 3.16Å
608	V	92.9	Very high	91.7	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.03	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-41.2	-180	168.3	0	0	0	0	111.3	I552 S553 L554 T604 Y605 Y611 A612 T630	I552-V608 HydrophobicContact CD1-CB 4.08Å; I552-V608 HydrophobicContact CD1-CG1 4.36Å; I552-V608 HydrophobicContact CD1-CG2 3.65Å; I552-V608 HydrophobicContact CG1-CB 4.29Å; I552-V608 HydrophobicContact CG1-CG1 4.05Å; I552-V608 HydrophobicContact CG1-CG2 3.92Å; S553-V608 WeakPolarHBondContact O-CG1 3.31Å; S553-V608 WeakPolarHBondContact O-CG2 3.28Å; L554-V608 HydrophobicContact CD2-CG2 4Å; T604-V608 HydrophobicContact CG2-CG2 4.44Å; T604-V608 WeakPolarHBondContact O-CG2 3.39Å; T604-V608 PolarHBondContact O-N 2.84Å; Y605-V608 PolarHBondContact O-N 3.16Å; V608-Y611 PolarHBondContact O-N 3.13Å; V608-A612 PolarHBondContact O-N 2.9Å; V608-A612 VanDerWaalsContact O-N 3.16Å; V608-T630 HydrophobicContact CG1-CG2 3.91Å
609	V	93.8	Very high	91.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-49	174.3	169.7	0	0	0	0	111.1	Y605 Q606 L607 Y611 A612 W613 T630 L632 L637 T640 L641 L644	Y605-V609 WeakPolarHBondContact O-CB 3.48Å; Y605-V609 VanDerWaalsContact O-CG2 3.27Å; Y605-V609 WeakPolarHBondContact O-CG2 3.48Å; Y605-V609 PolarHBondContact O-N 2.93Å; Q606-V609 PolarHBondContact O-N 2.89Å; L607-V609 PolarHBondContact O-N 3Å; V609-Y611 VanDerWaalsContact C-N 3.33Å; V609-Y611 PolarHBondContact O-N 2.91Å; V609-A612 WeakPolarHBondContact O-CB 3.41Å; V609-A612 PolarHBondContact O-N 3.41Å; V609-W613 HydrophobicContact CG1-CZ3 3.95Å; V609-W613 WeakPolarHBondContact O-CZ3 3.45Å; V609-T630 HydrophobicContact CG2-CG2 4.04Å; V609-L632 HydrophobicContact CG2-CD1 3.94Å; V609-L637 HydrophobicContact CG2-CD1 3.6Å; V609-T640 HydrophobicContact CB-CG2 4.22Å; V609-T640 HydrophobicContact CG2-CG2 3.71Å; V609-L641 HydrophobicContact CG1-CD2 3.71Å; V609-L641 HydrophobicContact CG1-CG 4.38Å; V609-L644 HydrophobicContact CB-CD1 4.26Å; V609-L644 HydrophobicContact CG1-CD1 3.75Å
610	L	94.3	Very high	91.8	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-35.4	178.4	-70	172.2	0	0	0	112.2	V602 Q606 L607 A612 W613 L644 I654 V655 L675	V602-L610 HydrophobicContact CG1-CD1 4.37Å; Q606-L610 WeakPolarHBondContact O-CB 3.33Å; Q606-L610 VanDerWaalsContact O-CG 3.28Å; Q606-L610 WeakPolarHBondContact O-CG 3.31Å; Q606-L610 PolarHBondContact O-N 2.8Å; L607-L610 PolarHBondContact O-N 2.84Å; L610-A612 PolarHBondContact O-N 3.48Å; L610-W613 PolarHBondContact O-N 2.7Å; L610-W613 VanDerWaalsContact O-N 3.13Å; L610-L644 HydrophobicContact CD1-CD2 4.22Å; L610-L644 HydrophobicContact CD2-CD1 4.14Å; L610-L644 HydrophobicContact CG-CD1 4.07Å; L610-L644 HydrophobicContact CG-CD2 4.46Å; L610-I654 HydrophobicContact CD2-CG2 4.01Å; L610-V655 HydrophobicContact CD2-CG2 3.9Å; L610-L675 HydrophobicContact CD2-CD2 3.94Å
611	Y	92.8	Very high	92	Very high	62 Å²	62	48.1 Å²	48.1	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-23.6	177.7	-168.3	-95	0	0	0	112.3	P555 E557 L607 V608 V609 W613 N614	P555-Y611 HydrophobicContact CB-CD1 4.2Å; P555-Y611 HydrophobicContact CB-CD2 4.06Å; P555-Y611 HydrophobicContact CB-CE1 3.92Å; P555-Y611 HydrophobicContact CB-CE2 3.74Å; P555-Y611 HydrophobicContact CB-CG 4.27Å; P555-Y611 HydrophobicContact CG-CD1 4.07Å; P555-Y611 HydrophobicContact CG-CD2 3.88Å; P555-Y611 HydrophobicContact CG-CE1 4.3Å; P555-Y611 HydrophobicContact CG-CE2 4.09Å; P555-Y611 HydrophobicContact CG-CG 3.85Å; E557-Y611 PolarHBondContact OE1-OH 2.79Å; E557-Y611 VanDerWaalsContact OE1-OH 3.07Å; E557-Y611 PolarHBondContact OE2-OH 3.18Å; L607-Y611 VanDerWaalsContact O-CB 3.25Å; L607-Y611 WeakPolarHBondContact O-CB 3.42Å; L607-Y611 PolarHBondContact O-N 3.16Å; V608-Y611 PolarHBondContact O-N 3.13Å; V609-Y611 VanDerWaalsContact C-N 3.33Å; V609-Y611 PolarHBondContact O-N 2.91Å; Y611-W613 PolarHBondContact O-N 3.11Å; Y611-N614 HydrophobicContact CD2-CB 3.99Å; Y611-N614 HydrophobicContact CE2-CB 4.12Å; Y611-N614 VanDerWaalsContact CE2-ND2 3.31Å; Y611-N614 WeakPolarHBondContact CE2-ND2 3.47Å; Y611-N614 HydrophobicContact CG-CB 4.28Å; Y611-N614 WeakPolarHBondContact O-CB 3.38Å; Y611-N614 PolarHBondContact O-N 2.81Å
612	A	93.4	Very high	92.1	Very high	14 Å²	14	50 Å²	50	12%	0.116	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.8	173.2	0	0	0	0	0	113	V608 V609 L610 R616 L621 L626	V608-A612 PolarHBondContact O-N 2.9Å; V608-A612 VanDerWaalsContact O-N 3.16Å; V609-A612 WeakPolarHBondContact O-CB 3.41Å; V609-A612 PolarHBondContact O-N 3.41Å; L610-A612 PolarHBondContact O-N 3.48Å; A612-R616 PolarHBondContact O-NE 2.93Å; A612-R616 PolarHBondContact O-NH2 2.98Å; A612-L621 HydrophobicContact CB-CD1 4.43Å; A612-L626 HydrophobicContact CB-CD2 3.84Å
613	W	94.1	Very high	92.2	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.2	175.5	-73.7	-85.4	0	0	0	114.7	V609 L610 Y611 R615 R616 Y617 Q619 L621 L626 L641 V655 F673 L675	V609-W613 HydrophobicContact CG1-CZ3 3.95Å; V609-W613 WeakPolarHBondContact O-CZ3 3.45Å; L610-W613 PolarHBondContact O-N 2.7Å; L610-W613 VanDerWaalsContact O-N 3.13Å; Y611-W613 PolarHBondContact O-N 3.11Å; W613-R615 VanDerWaalsContact C-N 3.28Å; W613-R615 PolarHBondContact O-N 2.98Å; W613-R615 VanDerWaalsContact O-N 3.11Å; W613-R616 CarbonylContact O-C 3.32Å; W613-R616 VanDerWaalsContact O-C 3.23Å; W613-R616 PolarHBondContact O-N 2.91Å; W613-Y617 WeakPolarHBondContact O-CA 3.41Å; W613-Y617 PolarHBondContact O-N 3.26Å; W613-Q619 PolarHBondContact NE1-O 3.38Å; W613-Q619 VanDerWaalsContact NE1-O 3.16Å; W613-L621 HydrophobicContact CD2-CD1 3.98Å; W613-L621 HydrophobicContact CG-CD1 4.14Å; W613-L621 HydrophobicContact CZ2-CB 4.11Å; W613-L621 HydrophobicContact CZ2-CD1 4.03Å; W613-L621 HydrophobicContact CZ2-CG 4.27Å; W613-L626 HydrophobicContact CH2-CD1 3.82Å; W613-L626 HydrophobicContact CH2-CD2 3.63Å; W613-L626 HydrophobicContact CH2-CG 4.37Å; W613-L626 HydrophobicContact CZ2-CD1 4.2Å; W613-L626 HydrophobicContact CZ2-CD2 3.99Å; W613-L626 HydrophobicContact CZ3-CD2 3.95Å; W613-L641 HydrophobicContact CH2-CD2 4.44Å; W613-V655 HydrophobicContact CH2-CG1 4.19Å; W613-F673 HydrophobicContact CH2-CB 4.05Å; W613-F673 HydrophobicContact CZ2-CB 3.76Å; W613-L675 HydrophobicContact CB-CD1 3.47Å; W613-L675 VanDerWaalsContact CB-CD1 3.47Å; W613-L675 HydrophobicContact CB-CD2 4.4Å; W613-L675 HydrophobicContact CB-CG 3.83Å; W613-L675 HydrophobicContact CD2-CD2 4.04Å; W613-L675 HydrophobicContact CD2-CG 3.99Å; W613-L675 HydrophobicContact CE3-CD2 3.99Å; W613-L675 HydrophobicContact CE3-CG 4.45Å; W613-L675 HydrophobicContact CG-CD1 3.95Å; W613-L675 HydrophobicContact CG-CD2 4.24Å; W613-L675 HydrophobicContact CG-CG 3.72Å
614	N	90.3	Very high	92.3	Very high	91 Å²	91	54.3 Å²	54.3	49%	0.487	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.4	-169.5	-170.1	40.2	0	0	0	113.8	Y611	Y611-N614 HydrophobicContact CD2-CB 3.99Å; Y611-N614 HydrophobicContact CE2-CB 4.12Å; Y611-N614 VanDerWaalsContact CE2-ND2 3.31Å; Y611-N614 WeakPolarHBondContact CE2-ND2 3.47Å; Y611-N614 HydrophobicContact CG-CB 4.28Å; Y611-N614 WeakPolarHBondContact O-CB 3.38Å; Y611-N614 PolarHBondContact O-N 2.81Å
615	R	87.4	Confident	92.4	Very high	231 Å²	231	56 Å²	56	87%	0.872	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	3.7	176.6	-64.1	-172.2	-179.6	178.1	2.1	114.4	W613	W613-R615 VanDerWaalsContact C-N 3.28Å; W613-R615 PolarHBondContact O-N 2.98Å; W613-R615 VanDerWaalsContact O-N 3.11Å
616	R	91	Very high	92.5	Very high	56 Å²	56	55.1 Å²	55.1	21%	0.211	26%	0.256	C	S	.	.			trans	-146.3	48.6	-173.5	56.8	-177.3	175.7	165.7	1.1	111.1	A612 W613 D618 Q619 L621 C625	A612-R616 PolarHBondContact O-NE 2.93Å; A612-R616 PolarHBondContact O-NH2 2.98Å; W613-R616 CarbonylContact O-C 3.32Å; W613-R616 VanDerWaalsContact O-C 3.23Å; W613-R616 PolarHBondContact O-N 2.91Å; R616-D618 PolarHBondContact O-N 2.54Å; R616-Q619 HydrophobicContact CB-CB 4.19Å; R616-Q619 HydrophobicContact CB-CG 3.94Å; R616-Q619 PolarHBondContact O-N 2.74Å; R616-Q619 VanDerWaalsContact O-N 3.13Å; R616-L621 VanDerWaalsContact CZ-CD1 3.49Å; R616-L621 VanDerWaalsContact NH1-CD2 3.29Å; R616-C625 PolarHBondContact NH1-SG 3.08Å
617	Y	88.5	Confident	92.6	Very high	140 Å²	140	57.6 Å²	57.6	55%	0.549	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.1	-168.6	63	-92.9	0	0	0	113.8	W613 L677	W613-Y617 WeakPolarHBondContact O-CA 3.41Å; W613-Y617 PolarHBondContact O-N 3.26Å; Y617-L677 HydrophobicContact CD2-CD1 4.21Å; Y617-L677 HydrophobicContact CD2-CD2 4.19Å
618	D	88.2	Confident	92.5	Very high	110 Å²	110	61.8 Å²	61.8	59%	0.588	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.2	179.6	62.8	-27.4	0	0	0	113.6	R616	R616-D618 PolarHBondContact O-N 2.54Å
619	Q	93.8	Very high	92.5	Very high	94 Å²	94	63.5 Å²	63.5	44%	0.439	31%	0.308	S	S	.	.			trans	-91.1	144.4	-175.7	-65.6	-173.3	-1.7	0	0	113.7	W613 R616 L621	W613-Q619 PolarHBondContact NE1-O 3.38Å; W613-Q619 VanDerWaalsContact NE1-O 3.16Å; R616-Q619 HydrophobicContact CB-CB 4.19Å; R616-Q619 HydrophobicContact CB-CG 3.94Å; R616-Q619 PolarHBondContact O-N 2.74Å; R616-Q619 VanDerWaalsContact O-N 3.13Å; Q619-L621 HydrophobicContact CB-CD2 4.35Å
620	H	95.6	Very high	92.4	Very high	88 Å²	88	63.5 Å²	63.5	41%	0.407	31%	0.308	S	S	.	.			trans	-84.8	123.9	166.2	-74.9	-136.8	0	0	0	109.5	E672 F673 W674	H620-E672 HydrophobicContact CB-CB 4.49Å; H620-E672 IonicContact CG-OE2 2.71Å; H620-E672 IonicContact ND1-OE2 3.84Å; H620-E672 PolarHBondContact ND1-OE2 2.97Å; H620-E672 VanDerWaalsContact ND1-OE2 3.16Å; H620-F673 WeakPolarHBondContact CA-O 3.48Å; H620-W674 AromaticContact CD2-CG 3.93Å; H620-W674 AromaticContact CE1-CD2 3.34Å; H620-W674 AromaticContact CE1-CE2 3.85Å; H620-W674 AromaticContact CE1-CE3 3.28Å; H620-W674 AromaticContact CE1-CG 3.8Å; H620-W674 AromaticContact CE1-CZ3 3.78Å; H620-W674 AromaticContact ND1-CD2 3.84Å; H620-W674 AromaticContact ND1-CE3 3.37Å; H620-W674 AromaticContact ND1-CZ3 3.9Å; H620-W674 AromaticContact NE2-CD1 3.99Å; H620-W674 AromaticContact NE2-CD2 3.61Å; H620-W674 AromaticContact NE2-CE3 3.97Å; H620-W674 AromaticContact NE2-CG 3.54Å
621	L	95.2	Very high	92.3	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.6	-179.6	-58.7	-175.9	0	0	0	110.5	A612 W613 R616 Q619 L626 F673	A612-L621 HydrophobicContact CB-CD1 4.43Å; W613-L621 HydrophobicContact CD2-CD1 3.98Å; W613-L621 HydrophobicContact CG-CD1 4.14Å; W613-L621 HydrophobicContact CZ2-CB 4.11Å; W613-L621 HydrophobicContact CZ2-CD1 4.03Å; W613-L621 HydrophobicContact CZ2-CG 4.27Å; R616-L621 VanDerWaalsContact CZ-CD1 3.49Å; R616-L621 VanDerWaalsContact NH1-CD2 3.29Å; Q619-L621 HydrophobicContact CB-CD2 4.35Å; L621-L626 HydrophobicContact CB-CD1 4.47Å; L621-L626 HydrophobicContact CB-CD2 4.14Å; L621-L626 HydrophobicContact CB-CG 4.05Å; L621-L626 HydrophobicContact CD1-CD2 3.76Å; L621-F673 PolarHBondContact N-O 2.96Å; L621-F673 PolarHBondContact O-N 3.29Å
622	H	94.6	Very high	92.2	Very high	76 Å²	76	61.5 Å²	61.5	35%	0.352	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	155.4	173	-69.2	81.3	0	0	0	110.9	D624 C625 L626 T671 E672	H622-D624 PolarHBondContact O-N 3.02Å; H622-C625 WeakPolarHBondContact O-CB 3.3Å; H622-C625 PolarHBondContact O-N 3.29Å; H622-C625 VanDerWaalsContact O-N 3.07Å; H622-L626 PolarHBondContact O-N 2.86Å; H622-T671 WeakPolarHBondContact CA-O 3.44Å; H622-E672 IonicContact CE1-OE1 2.79Å; H622-E672 IonicContact NE2-OE1 2.63Å
623	L	94	Very high	91.9	Very high	5 Å²	5	66.3 Å²	66.3	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-51.9	-41.6	177.5	-176.2	63.9	0	0	0	112.8	C625 L626 L627 L637 R638 L641 F667 T671 F673	L623-C625 PolarHBondContact O-N 2.95Å; L623-L626 WeakPolarHBondContact O-CB 3.18Å; L623-L626 PolarHBondContact O-N 3.38Å; L623-L627 PolarHBondContact O-N 3.47Å; L623-L637 HydrophobicContact CD1-CD2 3.85Å; L623-L637 HydrophobicContact CD1-CG 4.23Å; L623-R638 VanDerWaalsContact CD2-NH2 3.34Å; L623-L641 HydrophobicContact CD1-CD1 3.62Å; L623-F667 HydrophobicContact CD2-CB 4.26Å; L623-T671 PolarHBondContact N-O 3.44Å; L623-F673 HydrophobicContact CB-CE2 4.11Å; L623-F673 HydrophobicContact CD1-CE2 4.21Å
624	D	92.2	Very high	91.7	Very high	103 Å²	103	69.4 Å²	69.4	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-66.2	-37	-179.4	-166.9	38.3	0	0	0	112.8	H622 L627 T628	H622-D624 PolarHBondContact O-N 3.02Å; D624-L627 PolarHBondContact O-N 3.25Å; D624-T628 PolarHBondContact O-N 2.98Å; D624-T628 PolarHBondContact O-OG1 2.85Å
625	C	92.7	Very high	91.5	Very high	46 Å²	46	68.7 Å²	68.7	31%	0.311	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-41.2	173.4	-173.1	0	0	0	0	110.9	R616 H622 L623 T628 S629	R616-C625 PolarHBondContact NH1-SG 3.08Å; H622-C625 WeakPolarHBondContact O-CB 3.3Å; H622-C625 PolarHBondContact O-N 3.29Å; H622-C625 VanDerWaalsContact O-N 3.07Å; L623-C625 PolarHBondContact O-N 2.95Å; C625-T628 PolarHBondContact O-N 3Å; C625-S629 WeakPolarHBondContact O-CB 3.4Å; C625-S629 PolarHBondContact O-N 3.48Å; C625-S629 PolarHBondContact O-OG 3.47Å; C625-S629 VanDerWaalsContact O-OG 3.06Å
626	L	94.1	Very high	91.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-41.7	176.1	-70.4	170.5	0	0	0	111.5	A612 W613 L621 H622 L623 T628 S629 T630 L637 L641 F673	A612-L626 HydrophobicContact CB-CD2 3.84Å; W613-L626 HydrophobicContact CH2-CD1 3.82Å; W613-L626 HydrophobicContact CH2-CD2 3.63Å; W613-L626 HydrophobicContact CH2-CG 4.37Å; W613-L626 HydrophobicContact CZ2-CD1 4.2Å; W613-L626 HydrophobicContact CZ2-CD2 3.99Å; W613-L626 HydrophobicContact CZ3-CD2 3.95Å; L621-L626 HydrophobicContact CB-CD1 4.47Å; L621-L626 HydrophobicContact CB-CD2 4.14Å; L621-L626 HydrophobicContact CB-CG 4.05Å; L621-L626 HydrophobicContact CD1-CD2 3.76Å; H622-L626 PolarHBondContact O-N 2.86Å; L623-L626 WeakPolarHBondContact O-CB 3.18Å; L623-L626 PolarHBondContact O-N 3.38Å; L626-T628 VanDerWaalsContact C-N 3.35Å; L626-T628 PolarHBondContact O-N 3.25Å; L626-S629 WeakPolarHBondContact CA-OG 3.44Å; L626-S629 PolarHBondContact O-N 3.18Å; L626-S629 PolarHBondContact O-OG 2.91Å; L626-S629 VanDerWaalsContact O-OG 3.12Å; L626-T630 WeakPolarHBondContact O-CB 3.45Å; L626-T630 VanDerWaalsContact O-CG2 3.23Å; L626-T630 WeakPolarHBondContact O-CG2 3.34Å; L626-T630 PolarHBondContact O-N 3.4Å; L626-T630 PolarHBondContact O-OG1 2.87Å; L626-L637 HydrophobicContact CB-CD1 4.4Å; L626-L637 HydrophobicContact CB-CD2 4.04Å; L626-L641 HydrophobicContact CD1-CD1 4.05Å; L626-L641 HydrophobicContact CD1-CD2 3.98Å; L626-F673 HydrophobicContact CD1-CB 4.03Å; L626-F673 HydrophobicContact CD1-CD2 3.74Å; L626-F673 HydrophobicContact CD1-CE2 4.48Å; L626-F673 HydrophobicContact CD1-CG 4.02Å
627	L	92.7	Very high	91.4	Very high	54 Å²	54	55.9 Å²	55.9	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-57.1	-48.8	175.5	-162.9	114.1	0	0	0	111.3	L623 D624 G631 D634 L637	L623-L627 PolarHBondContact O-N 3.47Å; D624-L627 PolarHBondContact O-N 3.25Å; L627-G631 PolarHBondContact O-N 2.89Å; L627-D634 HydrophobicContact CD1-CB 3.76Å; L627-L637 HydrophobicContact CB-CD2 3.93Å; L627-L637 HydrophobicContact CD1-CD2 4.11Å; L627-L637 HydrophobicContact CG-CD2 4.46Å
628	T	91.8	Very high	91.5	Very high	107 Å²	107	51.1 Å²	51.1	66%	0.656	28%	0.276	S	S	*	.	H	α-helix	trans	-64.9	-43	178.3	-55.2	0	0	0	0	112	D624 C625 L626	D624-T628 PolarHBondContact O-N 2.98Å; D624-T628 PolarHBondContact O-OG1 2.85Å; C625-T628 PolarHBondContact O-N 3Å; L626-T628 VanDerWaalsContact C-N 3.35Å; L626-T628 PolarHBondContact O-N 3.25Å
629	S	91.3	Very high	91.4	Very high	41 Å²	41	48.7 Å²	48.7	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-75	-26.4	-175.6	65.4	0	0	0	0	114.5	C625 L626	C625-S629 WeakPolarHBondContact O-CB 3.4Å; C625-S629 PolarHBondContact O-N 3.48Å; C625-S629 PolarHBondContact O-OG 3.47Å; C625-S629 VanDerWaalsContact O-OG 3.06Å; L626-S629 WeakPolarHBondContact CA-OG 3.44Å; L626-S629 PolarHBondContact O-N 3.18Å; L626-S629 PolarHBondContact O-OG 2.91Å; L626-S629 VanDerWaalsContact O-OG 3.12Å
630	T	92.9	Very high	91.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-98	-23	-176.6	61.5	0	0	0	0	112.6	S553 V608 V609 L626 L632	S553-T630 PolarHBondContact N-O 3.34Å; V608-T630 HydrophobicContact CG1-CG2 3.91Å; V609-T630 HydrophobicContact CG2-CG2 4.04Å; L626-T630 WeakPolarHBondContact O-CB 3.45Å; L626-T630 VanDerWaalsContact O-CG2 3.23Å; L626-T630 WeakPolarHBondContact O-CG2 3.34Å; L626-T630 PolarHBondContact O-N 3.4Å; L626-T630 PolarHBondContact O-OG1 2.87Å; T630-L632 PolarHBondContact O-N 3.43Å; T630-L632 VanDerWaalsContact O-N 3.16Å
631	G	91.5	Very high	91.1	Very high	22 Å²	22	40.5 Å²	40.5	23%	0.227	22%	0.221	C	C	.	.			trans	71.1	-1.3	-175.9	0	0	0	0	0	114.6	S551 L627	S551-G631 CarbonylContact C-O 3.6Å; S551-G631 CarbonylContact O-C 3.51Å; S551-G631 VanDerWaalsContact O-C 3.32Å; S551-G631 PolarHBondContact OG-O 3.35Å; L627-G631 PolarHBondContact O-N 2.89Å
632	L	89.8	Confident	90.9	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.231	C	C	.	.			trans	-68.7	152.9	-177.9	-68.4	174.6	0	0	0	111.7	I552 Y605 V609 T630 L637	I552-L632 HydrophobicContact CB-CD2 4.33Å; I552-L632 HydrophobicContact CD1-CD2 3.85Å; I552-L632 HydrophobicContact CG1-CD2 3.93Å; I552-L632 HydrophobicContact CG1-CG 4.47Å; Y605-L632 HydrophobicContact CD1-CD2 3.71Å; Y605-L632 HydrophobicContact CD2-CD2 4.3Å; Y605-L632 HydrophobicContact CE1-CD2 3.75Å; Y605-L632 HydrophobicContact CE2-CD2 4.35Å; Y605-L632 HydrophobicContact CG-CD1 4.44Å; Y605-L632 HydrophobicContact CG-CD2 3.98Å; V609-L632 HydrophobicContact CG2-CD1 3.94Å; T630-L632 PolarHBondContact O-N 3.43Å; T630-L632 VanDerWaalsContact O-N 3.16Å; L632-L637 HydrophobicContact CB-CB 4.18Å; L632-L637 HydrophobicContact CD1-CD1 4.35Å
633	Q	88.4	Confident	90.6	Very high	114 Å²	114	40 Å²	40	53%	0.533	22%	0.218	S	C	.	.			trans	-64.9	147.7	168	-62.4	-170.7	2.3	0	0	110.3	V635 D636 L637	Q633-V635 PolarHBondContact O-N 3.27Å; Q633-D636 PolarHBondContact O-N 3.36Å; Q633-D636 VanDerWaalsContact O-N 3.11Å; Q633-L637 PolarHBondContact O-N 3.34Å
634	D	89.2	Confident	90.5	Very high	67 Å²	67	39.9 Å²	39.9	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-53.7	-41.3	-177	179.2	67.7	0	0	0	112.5	L627 L637 R638	L627-D634 HydrophobicContact CD1-CB 3.76Å; D634-L637 PolarHBondContact O-N 2.93Å; D634-R638 WeakPolarHBondContact O-CB 3.44Å; D634-R638 VanDerWaalsContact O-CD 3.3Å; D634-R638 WeakPolarHBondContact O-CD 3.45Å; D634-R638 WeakPolarHBondContact O-CG 3.43Å; D634-R638 PolarHBondContact O-N 3.41Å; D634-R638 IonicContact OD1-CZ 3.84Å; D634-R638 IonicContact OD1-NE 2.91Å; D634-R638 PolarHBondContact OD1-NE 3.18Å; D634-R638 IonicContact OD1-NH2 3.85Å; D634-R638 PolarHBondContact OD1-NH2 3.35Å; D634-R638 WeakPolarHBondContact OD2-CD 3.3Å; D634-R638 IonicContact OD2-CZ 2.88Å; D634-R638 IonicContact OD2-NE 3.46Å; D634-R638 PolarHBondContact OD2-NE 3.3Å; D634-R638 IonicContact OD2-NH2 3.29Å
635	V	85.6	Confident	90.5	Very high	75 Å²	75	35 Å²	35	46%	0.455	19%	0.191	S	C	.	.	H	α-helix	trans	-65.3	-46.8	179.3	-171	0	0	0	0	111.6	Q633 R639 H703	Q633-V635 PolarHBondContact O-N 3.27Å; V635-R639 WeakPolarHBondContact O-CB 3.47Å; V635-R639 PolarHBondContact O-N 3.4Å; V635-R639 VanDerWaalsContact O-N 3.17Å; V635-H703 WeakPolarHBondContact CG1-CE1 3.46Å
636	D	85.5	Confident	90.3	Very high	19 Å²	19	36 Å²	36	10%	0.102	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-43.9	177.5	-78.9	-55.6	0	0	0	111.5	Y605 Q633 R639 T640 H703	Y605-D636 HydrophobicContact CD2-CB 4.41Å; Y605-D636 HydrophobicContact CE2-CB 4.14Å; Q633-D636 PolarHBondContact O-N 3.36Å; Q633-D636 VanDerWaalsContact O-N 3.11Å; D636-R639 PolarHBondContact O-N 2.86Å; D636-T640 VanDerWaalsContact O-CB 3.26Å; D636-T640 WeakPolarHBondContact O-CB 3.39Å; D636-T640 PolarHBondContact O-N 3.23Å; D636-T640 PolarHBondContact O-OG1 2.93Å; D636-H703 IonicContact OD1-CD2 2.75Å; D636-H703 PolarHBondContact OD1-CD2 2.79Å; D636-H703 IonicContact OD1-NE2 3.82Å; D636-H703 PolarHBondContact OD1-NE2 2.89Å
637	L	90.7	Very high	89.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-49.2	180	176.1	60.9	0	0	0	111.2	V609 L623 L626 L627 L632 Q633 D634 R639 T640 L641	V609-L637 HydrophobicContact CG2-CD1 3.6Å; L623-L637 HydrophobicContact CD1-CD2 3.85Å; L623-L637 HydrophobicContact CD1-CG 4.23Å; L626-L637 HydrophobicContact CB-CD1 4.4Å; L626-L637 HydrophobicContact CB-CD2 4.04Å; L627-L637 HydrophobicContact CB-CD2 3.93Å; L627-L637 HydrophobicContact CD1-CD2 4.11Å; L627-L637 HydrophobicContact CG-CD2 4.46Å; L632-L637 HydrophobicContact CB-CB 4.18Å; L632-L637 HydrophobicContact CD1-CD1 4.35Å; Q633-L637 PolarHBondContact O-N 3.34Å; D634-L637 PolarHBondContact O-N 2.93Å; L637-R639 VanDerWaalsContact C-N 3.33Å; L637-R639 PolarHBondContact O-N 3.32Å; L637-T640 PolarHBondContact O-N 2.89Å; L637-L641 HydrophobicContact CD1-CD1 3.9Å; L637-L641 HydrophobicContact CD1-CG 4.03Å; L637-L641 HydrophobicContact CG-CD1 3.85Å; L637-L641 HydrophobicContact CG-CG 4.41Å; L637-L641 WeakPolarHBondContact O-CB 3.25Å; L637-L641 WeakPolarHBondContact O-CG 3.37Å; L637-L641 PolarHBondContact O-N 2.85Å
638	R	91.5	Very high	89.3	Confident	39 Å²	39	40.2 Å²	40.2	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-45.8	179.7	-73.7	163.4	179.1	-82.1	-4.5	112	L623 D634 T640 L641 W642 E664 F667	L623-R638 VanDerWaalsContact CD2-NH2 3.34Å; D634-R638 WeakPolarHBondContact O-CB 3.44Å; D634-R638 VanDerWaalsContact O-CD 3.3Å; D634-R638 WeakPolarHBondContact O-CD 3.45Å; D634-R638 WeakPolarHBondContact O-CG 3.43Å; D634-R638 PolarHBondContact O-N 3.41Å; D634-R638 IonicContact OD1-CZ 3.84Å; D634-R638 IonicContact OD1-NE 2.91Å; D634-R638 PolarHBondContact OD1-NE 3.18Å; D634-R638 IonicContact OD1-NH2 3.85Å; D634-R638 PolarHBondContact OD1-NH2 3.35Å; D634-R638 WeakPolarHBondContact OD2-CD 3.3Å; D634-R638 IonicContact OD2-CZ 2.88Å; D634-R638 IonicContact OD2-NE 3.46Å; D634-R638 PolarHBondContact OD2-NE 3.3Å; D634-R638 IonicContact OD2-NH2 3.29Å; R638-T640 VanDerWaalsContact C-N 3.33Å; R638-L641 PolarHBondContact O-N 3.19Å; R638-W642 WeakPolarHBondContact O-CB 3.33Å; R638-W642 PolarHBondContact O-N 2.9Å; R638-E664 HydrophobicContact CB-CB 4.28Å; R638-E664 PolarHBondContact NH1-O 3.16Å; R638-F667 HydrophobicContact CB-CD2 4.45Å; R638-F667 HydrophobicContact CG-CD2 4.44Å; R638-F667 VanDerWaalsContact NH1-C 3.34Å; R638-F667 PolarHBondContact NH1-O 3.26Å; R638-F667 PolarHBondContact NH2-O 2.89Å
639	R	86.8	Confident	88.8	Confident	59 Å²	59	43 Å²	43	22%	0.223	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-41.8	177.6	-171.2	-176.1	-176	-158.7	9.2	111.4	V635 D636 L637 W642 S643 T702	V635-R639 WeakPolarHBondContact O-CB 3.47Å; V635-R639 PolarHBondContact O-N 3.4Å; V635-R639 VanDerWaalsContact O-N 3.17Å; D636-R639 PolarHBondContact O-N 2.86Å; L637-R639 VanDerWaalsContact C-N 3.33Å; L637-R639 PolarHBondContact O-N 3.32Å; R639-W642 PolarHBondContact O-N 3.06Å; R639-S643 PolarHBondContact O-N 3.42Å; R639-T702 PolarHBondContact NH1-O 2.97Å; R639-T702 PolarHBondContact NH2-O 3.47Å
640	T	90	Very high	88.5	Confident	11 Å²	11	42 Å²	42	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-45.9	177.2	-59.2	0	0	0	0	110.8	Q606 V609 D636 L637 R638 S643 L644	Q606-T640 HydrophobicContact CB-CG2 4.29Å; Q606-T640 HydrophobicContact CG-CG2 3.76Å; V609-T640 HydrophobicContact CB-CG2 4.22Å; V609-T640 HydrophobicContact CG2-CG2 3.71Å; D636-T640 VanDerWaalsContact O-CB 3.26Å; D636-T640 WeakPolarHBondContact O-CB 3.39Å; D636-T640 PolarHBondContact O-N 3.23Å; D636-T640 PolarHBondContact O-OG1 2.93Å; L637-T640 PolarHBondContact O-N 2.89Å; R638-T640 VanDerWaalsContact C-N 3.33Å; T640-S643 WeakPolarHBondContact O-CB 3.34Å; T640-S643 PolarHBondContact O-N 2.66Å; T640-S643 PolarHBondContact O-OG 3.47Å; T640-L644 HydrophobicContact CG2-CD1 4.48Å; T640-L644 WeakPolarHBondContact O-CG 3.36Å; T640-L644 PolarHBondContact O-N 2.87Å
641	L	92.5	Very high	88.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-46.4	175.3	-77.1	168.2	0	0	0	111.5	V609 W613 L623 L626 L637 R638 S643 L644 C645 F667 F673	V609-L641 HydrophobicContact CG1-CD2 3.71Å; V609-L641 HydrophobicContact CG1-CG 4.38Å; W613-L641 HydrophobicContact CH2-CD2 4.44Å; L623-L641 HydrophobicContact CD1-CD1 3.62Å; L626-L641 HydrophobicContact CD1-CD1 4.05Å; L626-L641 HydrophobicContact CD1-CD2 3.98Å; L637-L641 HydrophobicContact CD1-CD1 3.9Å; L637-L641 HydrophobicContact CD1-CG 4.03Å; L637-L641 HydrophobicContact CG-CD1 3.85Å; L637-L641 HydrophobicContact CG-CG 4.41Å; L637-L641 WeakPolarHBondContact O-CB 3.25Å; L637-L641 WeakPolarHBondContact O-CG 3.37Å; L637-L641 PolarHBondContact O-N 2.85Å; R638-L641 PolarHBondContact O-N 3.19Å; L641-S643 PolarHBondContact O-N 3.26Å; L641-L644 CarbonylContact O-C 3.6Å; L641-L644 PolarHBondContact O-N 3.25Å; L641-C645 VanDerWaalsContact O-CB 3.28Å; L641-C645 WeakPolarHBondContact O-CB 3.47Å; L641-C645 PolarHBondContact O-N 2.85Å; L641-C645 PolarHBondContact O-SG 3.21Å; L641-F667 HydrophobicContact CB-CE2 4.23Å; L641-F673 HydrophobicContact CB-CE1 4.26Å; L641-F673 HydrophobicContact CD1-CD1 4.48Å; L641-F673 HydrophobicContact CD1-CD2 4.47Å; L641-F673 HydrophobicContact CD1-CE1 4.08Å; L641-F673 HydrophobicContact CD1-CE2 4.06Å; L641-F673 HydrophobicContact CD1-CZ 3.85Å; L641-F673 HydrophobicContact CD2-CD1 4.02Å; L641-F673 HydrophobicContact CD2-CE1 4.27Å; L641-F673 HydrophobicContact CD2-CG 4.35Å; L641-F673 HydrophobicContact CG-CE1 4.45Å
642	W	91.2	Very high	88.1	Confident	60 Å²	60	48.7 Å²	48.7	23%	0.227	24%	0.24	C	C	.	.	H	α-helix	trans	-56.6	-41.8	176	-171	-102.8	0	0	0	111.9	R638 R639 L644 C645 E646 V661 S662 E664 F667	R638-W642 WeakPolarHBondContact O-CB 3.33Å; R638-W642 PolarHBondContact O-N 2.9Å; R639-W642 PolarHBondContact O-N 3.06Å; W642-L644 PolarHBondContact O-N 2.78Å; W642-C645 PolarHBondContact O-N 2.97Å; W642-E646 HydrophobicContact CD2-CB 4.31Å; W642-E646 HydrophobicContact CD2-CG 4.32Å; W642-E646 HydrophobicContact CE3-CG 4.21Å; W642-E646 HydrophobicContact CH2-CB 4.45Å; W642-E646 HydrophobicContact CH2-CG 3.78Å; W642-E646 HydrophobicContact CZ2-CB 4.07Å; W642-E646 HydrophobicContact CZ2-CG 3.92Å; W642-E646 HydrophobicContact CZ3-CG 3.93Å; W642-E646 PolarHBondContact O-N 3.14Å; W642-V661 HydrophobicContact CZ3-CG2 4.07Å; W642-S662 VanDerWaalsContact CH2-C 3.46Å; W642-S662 WeakPolarHBondContact CH2-O 3.48Å; W642-E664 HydrophobicContact CB-CB 3.64Å; W642-E664 HydrophobicContact CD2-CB 4.17Å; W642-E664 HydrophobicContact CE3-CB 4.31Å; W642-E664 HydrophobicContact CG-CB 3.9Å; W642-F667 HydrophobicContact CB-CE2 4.35Å; W642-F667 HydrophobicContact CE3-CE1 4.39Å; W642-F667 AromaticContact CE3-CE2 3.94Å; W642-F667 HydrophobicContact CE3-CE2 3.94Å; W642-F667 AromaticContact CE3-CZ 3.58Å; W642-F667 HydrophobicContact CE3-CZ 3.58Å; W642-F667 HydrophobicContact CZ3-CZ 4.09Å
643	S	88.2	Confident	88.2	Confident	12 Å²	12	50.1 Å²	50.1	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-26.5	176.8	84	0	0	0	0	114.5	Q606 R639 T640 L641 H647	Q606-S643 PolarHBondContact NE2-OG 2.81Å; R639-S643 PolarHBondContact O-N 3.42Å; T640-S643 WeakPolarHBondContact O-CB 3.34Å; T640-S643 PolarHBondContact O-N 2.66Å; T640-S643 PolarHBondContact O-OG 3.47Å; L641-S643 PolarHBondContact O-N 3.26Å; S643-H647 WeakPolarHBondContact O-CB 3.45Å
644	L	91	Very high	88.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-93.1	-26.9	178.8	-65.5	171.3	0	0	0	112.6	Q606 V609 L610 T640 L641 W642 I654 V655	Q606-L644 HydrophobicContact CB-CD1 4.46Å; Q606-L644 HydrophobicContact CB-CD2 4.23Å; Q606-L644 HydrophobicContact CG-CD1 4.39Å; Q606-L644 HydrophobicContact CG-CD2 4Å; Q606-L644 HydrophobicContact CG-CG 4.17Å; V609-L644 HydrophobicContact CB-CD1 4.26Å; V609-L644 HydrophobicContact CG1-CD1 3.75Å; L610-L644 HydrophobicContact CD1-CD2 4.22Å; L610-L644 HydrophobicContact CD2-CD1 4.14Å; L610-L644 HydrophobicContact CG-CD1 4.07Å; L610-L644 HydrophobicContact CG-CD2 4.46Å; T640-L644 HydrophobicContact CG2-CD1 4.48Å; T640-L644 WeakPolarHBondContact O-CG 3.36Å; T640-L644 PolarHBondContact O-N 2.87Å; L641-L644 CarbonylContact O-C 3.6Å; L641-L644 PolarHBondContact O-N 3.25Å; W642-L644 PolarHBondContact O-N 2.78Å; L644-I654 PolarHBondContact O-N 2.71Å; L644-V655 HydrophobicContact CB-CB 4.2Å; L644-V655 HydrophobicContact CB-CG2 3.84Å; L644-V655 HydrophobicContact CD1-CG2 4.25Å; L644-V655 PolarHBondContact O-N 3.46Å
645	C	92.1	Very high	88.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-90.4	-29.1	-177	-67.4	0	0	0	0	113.8	L641 W642 Q653 V655 Y657	L641-C645 VanDerWaalsContact O-CB 3.28Å; L641-C645 WeakPolarHBondContact O-CB 3.47Å; L641-C645 PolarHBondContact O-N 2.85Å; L641-C645 PolarHBondContact O-SG 3.21Å; W642-C645 PolarHBondContact O-N 2.97Å; C645-Q653 WeakPolarHBondContact O-CB 3.41Å; C645-Q653 WeakPolarHBondContact O-CG 3.44Å; C645-Q653 PolarHBondContact O-OE1 3.47Å; C645-V655 WeakPolarHBondContact CA-O 2.95Å; C645-Y657 HydrophobicContact CB-CD1 3.59Å; C645-Y657 HydrophobicContact CB-CE1 3.72Å
646	E	88.5	Confident	89.1	Confident	65 Å²	65	39.4 Å²	39.4	30%	0.304	19%	0.193	S	C	.	.	S	Bend	trans	-137.9	48.7	-174.9	-64.6	-65.1	165.3	0	0	109.9	W642 P648 Y657 K660	W642-E646 HydrophobicContact CD2-CB 4.31Å; W642-E646 HydrophobicContact CD2-CG 4.32Å; W642-E646 HydrophobicContact CE3-CG 4.21Å; W642-E646 HydrophobicContact CH2-CB 4.45Å; W642-E646 HydrophobicContact CH2-CG 3.78Å; W642-E646 HydrophobicContact CZ2-CB 4.07Å; W642-E646 HydrophobicContact CZ2-CG 3.92Å; W642-E646 HydrophobicContact CZ3-CG 3.93Å; W642-E646 PolarHBondContact O-N 3.14Å; E646-P648 WeakPolarHBondContact O-CD 3.26Å; E646-Y657 HydrophobicContact CG-CE1 4.26Å; E646-Y657 WeakPolarHBondContact OE1-CE1 3.46Å; E646-Y657 PolarHBondContact OE1-OH 3.16Å; E646-K660 IonicContact OE1-NZ 2.75Å
647	H	86.2	Confident	89.6	Confident	15 Å²	15	39 Å²	39	7%	0.069	19%	0.19	C	C	.	.			trans	-69.4	119.2	179.9	-169.7	-84.7	0	0	0	110.6	S643 K649 L650 Q653	S643-H647 WeakPolarHBondContact O-CB 3.45Å; H647-K649 PolarHBondContact ND1-N 3.5Å; H647-K649 PolarHBondContact O-N 3.38Å; H647-L650 HydrophobicContact CB-CB 4.35Å; H647-L650 HydrophobicContact CB-CD1 4.02Å; H647-L650 HydrophobicContact CB-CG 4.2Å; H647-L650 PolarHBondContact O-N 3.31Å; H647-L650 VanDerWaalsContact O-N 3.08Å; H647-Q653 PolarHBondContact O-NE2 3.4Å
648	P	81.1	Confident	89.8	Confident	129 Å²	129	41.9 Å²	41.9	84%	0.838	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.8	-168.1	-24	32.2	0	0	0	115.9	E646	E646-P648 WeakPolarHBondContact O-CD 3.26Å
649	K	80	Confident	89.9	Confident	166 Å²	166	43.4 Å²	43.4	72%	0.722	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.1	-178.2	-60.3	-176.7	176.4	176.8	0	113.9	H647	H647-K649 PolarHBondContact ND1-N 3.5Å; H647-K649 PolarHBondContact O-N 3.38Å
650	L	85.5	Confident	90.1	Very high	18 Å²	18	47.7 Å²	47.7	9%	0.094	25%	0.245	C	C	.	.			trans	-108.2	129.5	-180	-63.1	-179.8	0	0	0	109.4	H647 Q652 Q653 I654 F679 I693 L695	H647-L650 HydrophobicContact CB-CB 4.35Å; H647-L650 HydrophobicContact CB-CD1 4.02Å; H647-L650 HydrophobicContact CB-CG 4.2Å; H647-L650 PolarHBondContact O-N 3.31Å; H647-L650 VanDerWaalsContact O-N 3.08Å; L650-Q652 WeakPolarHBondContact CB-O 3.43Å; L650-Q653 PolarHBondContact O-NE2 2.82Å; L650-I654 HydrophobicContact CD1-CD1 3.97Å; L650-I654 HydrophobicContact CD1-CG1 4.13Å; L650-F679 HydrophobicContact CD1-CE2 4.37Å; L650-I693 HydrophobicContact CD2-CG2 4.23Å; L650-L695 HydrophobicContact CD1-CD2 3.76Å
651	E	87	Confident	90.2	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.453	25%	0.249	S	C	.	.	S	Bend	trans	-73	-36	172.8	-68.2	-177.8	173.4	0	0	111	T682 M684 G685	E651-T682 WeakPolarHBondContact OE2-CB 3.45Å; E651-M684 WeakPolarHBondContact OE1-CA 3.27Å; E651-M684 PolarHBondContact OE1-N 3.13Å; E651-G685 PolarHBondContact OE2-N 2.72Å
652	Q	90	Very high	90	Very high	67 Å²	67	53.3 Å²	53.3	31%	0.313	28%	0.284	S	S	.	.	S	Bend	trans	-110.8	131.7	173.6	-66.7	-172.8	-14.9	0	0	110	L650 K678 F679 T680	L650-Q652 WeakPolarHBondContact CB-O 3.43Å; Q652-K678 PolarHBondContact OE1-O 3.39Å; Q652-F679 HydrophobicContact CB-CD2 4.16Å; Q652-F679 HydrophobicContact CB-CE2 4.48Å; Q652-F679 VanDerWaalsContact O-CE2 3.27Å; Q652-F679 WeakPolarHBondContact O-CE2 2.97Å; Q652-T680 PolarHBondContact NE2-OG1 3.16Å; Q652-T680 PolarHBondContact OE1-O 3.27Å; Q652-T680 PolarHBondContact OE1-OG1 2.77Å
653	Q	91.9	Very high	89.8	Confident	36 Å²	36	52 Å²	52	17%	0.168	28%	0.284	C	S	.	.			trans	-86.7	153.4	-176	-54.4	-62.7	-20.7	0	0	110.2	C645 H647 L650 N676	C645-Q653 WeakPolarHBondContact O-CB 3.41Å; C645-Q653 WeakPolarHBondContact O-CG 3.44Å; C645-Q653 PolarHBondContact O-OE1 3.47Å; H647-Q653 PolarHBondContact O-NE2 3.4Å; L650-Q653 PolarHBondContact O-NE2 2.82Å; Q653-N676 WeakPolarHBondContact O-CB 3.41Å; Q653-N676 PolarHBondContact O-ND2 3.37Å
654	I	92.1	Very high	89.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-84.4	-39.4	-175.5	-61.2	165.5	0	0	0	109.9	Y591 F600 L610 L644 L650 N676 F679 L695	Y591-I654 HydrophobicContact CE2-CG2 4.22Å; F600-I654 HydrophobicContact CD1-CD1 4.25Å; F600-I654 HydrophobicContact CD2-CD1 4.26Å; F600-I654 HydrophobicContact CE1-CD1 3.84Å; F600-I654 HydrophobicContact CE1-CG1 4.46Å; F600-I654 HydrophobicContact CE2-CD1 3.84Å; F600-I654 HydrophobicContact CE2-CG1 4.14Å; F600-I654 HydrophobicContact CE2-CG2 4.17Å; F600-I654 HydrophobicContact CG-CD1 4.48Å; F600-I654 HydrophobicContact CZ-CD1 3.64Å; F600-I654 HydrophobicContact CZ-CG1 3.88Å; L610-I654 HydrophobicContact CD2-CG2 4.01Å; L644-I654 PolarHBondContact O-N 2.71Å; L650-I654 HydrophobicContact CD1-CD1 3.97Å; L650-I654 HydrophobicContact CD1-CG1 4.13Å; I654-N676 WeakPolarHBondContact O-CB 3.33Å; I654-N676 PolarHBondContact O-N 2.9Å; I654-F679 HydrophobicContact CG1-CD2 4.26Å; I654-F679 HydrophobicContact CG1-CE2 4.09Å; I654-L695 HydrophobicContact CD1-CD1 3.17Å; I654-L695 HydrophobicContact CD1-CD2 3.95Å; I654-L695 HydrophobicContact CD1-CG 4.2Å
655	V	94	Very high	89.5	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.5	173.9	-178.3	0	0	0	0	107.9	L610 W613 L644 C645 F673 W674 L675	L610-V655 HydrophobicContact CD2-CG2 3.9Å; W613-V655 HydrophobicContact CH2-CG1 4.19Å; L644-V655 HydrophobicContact CB-CB 4.2Å; L644-V655 HydrophobicContact CB-CG2 3.84Å; L644-V655 HydrophobicContact CD1-CG2 4.25Å; L644-V655 PolarHBondContact O-N 3.46Å; C645-V655 WeakPolarHBondContact CA-O 2.95Å; V655-F673 HydrophobicContact CG1-CB 4.05Å; V655-F673 HydrophobicContact CG1-CD1 4.09Å; V655-W674 CarbonylContact C-O 3.42Å; V655-W674 WeakPolarHBondContact CA-O 3.43Å; V655-L675 HydrophobicContact CG2-CD2 4.28Å
656	C	95.2	Very high	89.5	Confident	31 Å²	31	65.5 Å²	65.5	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	156.1	171.2	-65.8	0	0	0	0	109.5	F673 W674	C656-F673 CarbonylContact O-C 3.39Å; C656-F673 VanDerWaalsContact O-CA 3.28Å; C656-F673 WeakPolarHBondContact O-CA 3.49Å; C656-W674 HydrophobicContact CB-CD2 3.8Å; C656-W674 HydrophobicContact CB-CE3 4.5Å; C656-W674 HydrophobicContact CB-CG 4.16Å; C656-W674 HydrophobicContact CB-CH2 4.27Å; C656-W674 HydrophobicContact CB-CZ2 3.53Å; C656-W674 VanDerWaalsContact CB-NE1 3.31Å; C656-W674 PolarHBondContact N-O 3.28Å; C656-W674 PolarHBondContact O-N 3.28Å
657	Y	95.9	Very high	89.7	Confident	10 Å²	10	62.6 Å²	62.6	4%	0.039	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.9	-179.2	69	-81.9	0	0	0	112.7	C645 E646 P659 K660 V661 F667 T671 E672 F673	C645-Y657 HydrophobicContact CB-CD1 3.59Å; C645-Y657 HydrophobicContact CB-CE1 3.72Å; E646-Y657 HydrophobicContact CG-CE1 4.26Å; E646-Y657 WeakPolarHBondContact OE1-CE1 3.46Å; E646-Y657 PolarHBondContact OE1-OH 3.16Å; Y657-P659 VanDerWaalsContact CD2-O 3.28Å; Y657-P659 WeakPolarHBondContact CD2-O 3.22Å; Y657-P659 WeakPolarHBondContact CE2-O 3.4Å; Y657-K660 HydrophobicContact CE1-CD 4.34Å; Y657-K660 HydrophobicContact CE2-CD 3.93Å; Y657-V661 HydrophobicContact CE2-CG2 3.76Å; Y657-V661 PolarHBondContact OH-O 3.41Å; Y657-F667 AromaticContact CD2-CE1 3.7Å; Y657-F667 HydrophobicContact CD2-CE1 3.7Å; Y657-F667 AromaticContact CE2-CE1 3.82Å; Y657-F667 HydrophobicContact CE2-CE1 3.82Å; Y657-F667 HydrophobicContact CG-CE1 4.22Å; Y657-T671 HydrophobicContact CD2-CG2 4.45Å; Y657-E672 CarbonylContact C-O 3.59Å; Y657-E672 WeakPolarHBondContact CA-O 3.45Å; Y657-F673 HydrophobicContact CG-CE1 4.34Å
658	S	94.5	Very high	89.9	Confident	61 Å²	61	65.3 Å²	65.3	43%	0.427	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.9	174	-174.4	0	0	0	0	110.5	T671 E672	S658-T671 WeakPolarHBondContact O-CA 3.25Å; S658-T671 WeakPolarHBondContact O-CG2 3.3Å; S658-E672 PolarHBondContact N-O 3.49Å; S658-E672 PolarHBondContact O-N 3.14Å
659	P	93.7	Very high	90.4	Very high	70 Å²	70	62.2 Å²	62.2	46%	0.455	33%	0.332	S	S	.	.	S	Bend	cis	-77	162.7	0.2	32.2	-36.1	0	0	0	113.5	Y657	Y657-P659 VanDerWaalsContact CD2-O 3.28Å; Y657-P659 WeakPolarHBondContact CD2-O 3.22Å; Y657-P659 WeakPolarHBondContact CE2-O 3.4Å
660	K	91.4	Very high	90.7	Very high	149 Å²	149	62.5 Å²	62.5	65%	0.648	33%	0.333	S	S	*	.			trans	-67.4	135.1	174.3	-74.1	-62.3	-171.9	179.6	0	111.2	E646 Y657	E646-K660 IonicContact OE1-NZ 2.75Å; Y657-K660 HydrophobicContact CE1-CD 4.34Å; Y657-K660 HydrophobicContact CE2-CD 3.93Å
661	V	91.3	Very high	91.1	Very high	26 Å²	26	61.7 Å²	61.7	16%	0.158	33%	0.329	C	S	.	.			trans	-136.5	160.4	-178	-66.3	0	0	0	0	110.4	W642 Y657 Q666 F667	W642-V661 HydrophobicContact CZ3-CG2 4.07Å; Y657-V661 HydrophobicContact CE2-CG2 3.76Å; Y657-V661 PolarHBondContact OH-O 3.41Å; V661-Q666 HydrophobicContact CB-CB 3.77Å; V661-Q666 HydrophobicContact CG1-CB 3.85Å; V661-Q666 HydrophobicContact CG2-CB 4.39Å; V661-F667 HydrophobicContact CG2-CD1 3.49Å; V661-F667 VanDerWaalsContact CG2-CD1 3.49Å; V661-F667 HydrophobicContact CG2-CE1 3.32Å; V661-F667 HydrophobicContact CG2-CZ 4.25Å
662	S	88.3	Confident	91.5	Very high	104 Å²	104	60.4 Å²	60.4	73%	0.727	32%	0.323	S	S	*	.	S	Bend	trans	-95	-13.3	-176.4	-54.9	0	0	0	0	113.8	W642	W642-S662 VanDerWaalsContact CH2-C 3.46Å; W642-S662 WeakPolarHBondContact CH2-O 3.48Å
663	S	88	Confident	91.8	Very high	33 Å²	33	57.2 Å²	57.2	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-152.7	161.3	176.7	68.5	0	0	0	0	112.7	K665 Q666	S663-K665 PolarHBondContact O-N 3.49Å; S663-Q666 WeakPolarHBondContact O-CB 3.29Å; S663-Q666 PolarHBondContact O-N 3.06Å; S663-Q666 VanDerWaalsContact O-N 3.09Å
664	E	85.8	Confident	92	Very high	47 Å²	47	58.8 Å²	58.8	22%	0.22	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.7	178.5	75	-69.6	164.1	0	0	113.4	R638 W642 Q666 F667	R638-E664 HydrophobicContact CB-CB 4.28Å; R638-E664 PolarHBondContact NH1-O 3.16Å; W642-E664 HydrophobicContact CB-CB 3.64Å; W642-E664 HydrophobicContact CD2-CB 4.17Å; W642-E664 HydrophobicContact CE3-CB 4.31Å; W642-E664 HydrophobicContact CG-CB 3.9Å; E664-Q666 PolarHBondContact O-N 2.96Å; E664-F667 HydrophobicContact CB-CD2 4.48Å; E664-F667 HydrophobicContact CB-CE2 4.34Å; E664-F667 VanDerWaalsContact O-CD2 3.31Å; E664-F667 WeakPolarHBondContact O-CD2 3.45Å; E664-F667 PolarHBondContact O-N 3.38Å
665	K	88.1	Confident	92.2	Very high	154 Å²	154	59.8 Å²	59.8	67%	0.67	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-69.7	-22.9	178.7	-61.7	179.9	-174.8	178.7	0	112.3	S663	S663-K665 PolarHBondContact O-N 3.49Å
666	Q	91.4	Very high	92.2	Very high	97 Å²	97	61.1 Å²	61.1	45%	0.453	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-86.3	-5.8	-178.6	-68.9	179.6	-15.5	0	0	113.6	V661 S663 E664 T668	V661-Q666 HydrophobicContact CB-CB 3.77Å; V661-Q666 HydrophobicContact CG1-CB 3.85Å; V661-Q666 HydrophobicContact CG2-CB 4.39Å; S663-Q666 WeakPolarHBondContact O-CB 3.29Å; S663-Q666 PolarHBondContact O-N 3.06Å; S663-Q666 VanDerWaalsContact O-N 3.09Å; E664-Q666 PolarHBondContact O-N 2.96Å; Q666-T668 PolarHBondContact O-N 3.48Å
667	F	91.8	Very high	92.1	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.018	33%	0.328	C	S	.	.			trans	-59.2	137.6	170.7	-63	-43	0	0	0	109.9	L623 R638 L641 W642 Y657 V661 E664 T671 F673	L623-F667 HydrophobicContact CD2-CB 4.26Å; R638-F667 HydrophobicContact CB-CD2 4.45Å; R638-F667 HydrophobicContact CG-CD2 4.44Å; R638-F667 VanDerWaalsContact NH1-C 3.34Å; R638-F667 PolarHBondContact NH1-O 3.26Å; R638-F667 PolarHBondContact NH2-O 2.89Å; L641-F667 HydrophobicContact CB-CE2 4.23Å; W642-F667 HydrophobicContact CB-CE2 4.35Å; W642-F667 HydrophobicContact CE3-CE1 4.39Å; W642-F667 AromaticContact CE3-CE2 3.94Å; W642-F667 HydrophobicContact CE3-CE2 3.94Å; W642-F667 AromaticContact CE3-CZ 3.58Å; W642-F667 HydrophobicContact CE3-CZ 3.58Å; W642-F667 HydrophobicContact CZ3-CZ 4.09Å; Y657-F667 AromaticContact CD2-CE1 3.7Å; Y657-F667 HydrophobicContact CD2-CE1 3.7Å; Y657-F667 AromaticContact CE2-CE1 3.82Å; Y657-F667 HydrophobicContact CE2-CE1 3.82Å; Y657-F667 HydrophobicContact CG-CE1 4.22Å; V661-F667 HydrophobicContact CG2-CD1 3.49Å; V661-F667 VanDerWaalsContact CG2-CD1 3.49Å; V661-F667 HydrophobicContact CG2-CE1 3.32Å; V661-F667 HydrophobicContact CG2-CZ 4.25Å; E664-F667 HydrophobicContact CB-CD2 4.48Å; E664-F667 HydrophobicContact CB-CE2 4.34Å; E664-F667 VanDerWaalsContact O-CD2 3.31Å; E664-F667 WeakPolarHBondContact O-CD2 3.45Å; E664-F667 PolarHBondContact O-N 3.38Å; F667-T671 HydrophobicContact CD1-CG2 3.9Å; F667-T671 HydrophobicContact CE1-CG2 4.44Å; F667-F673 HydrophobicContact CB-CZ 4.48Å; F667-F673 HydrophobicContact CD1-CE1 4.32Å; F667-F673 AromaticContact CD1-CZ 3.89Å; F667-F673 HydrophobicContact CD1-CZ 3.89Å; F667-F673 HydrophobicContact CD2-CZ 4.13Å; F667-F673 AromaticContact CE1-CE1 3.97Å; F667-F673 HydrophobicContact CE1-CE1 3.97Å; F667-F673 HydrophobicContact CE1-CZ 4.03Å; F667-F673 HydrophobicContact CE2-CE1 4.25Å; F667-F673 HydrophobicContact CE2-CZ 4.26Å; F667-F673 AromaticContact CG-CZ 3.94Å; F667-F673 HydrophobicContact CG-CZ 3.94Å; F667-F673 AromaticContact CZ-CE1 3.93Å; F667-F673 HydrophobicContact CZ-CE1 3.93Å; F667-F673 HydrophobicContact CZ-CZ 4.2Å
668	T	92	Very high	91.8	Very high	72 Å²	72	68.4 Å²	68.4	44%	0.442	36%	0.355	S	S	.	.			trans	-114.1	165.4	174.7	66	0	0	0	0	110.1	Q666 K670 T671	Q666-T668 PolarHBondContact O-N 3.48Å; T668-K670 PolarHBondContact O-N 3.4Å; T668-T671 PolarHBondContact N-OG1 3.3Å; T668-T671 VanDerWaalsContact O-CB 3.31Å; T668-T671 WeakPolarHBondContact O-CB 3.27Å; T668-T671 PolarHBondContact O-N 3.08Å; T668-T671 PolarHBondContact O-OG1 3.17Å; T668-T671 PolarHBondContact OG1-OG1 3.36Å
669	A	89.7	Confident	91.7	Very high	63 Å²	63	65.5 Å²	65.5	52%	0.521	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.6	174.1	0	0	0	0	0	113.1
670	K	86.9	Confident	91.5	Very high	173 Å²	173	63.1 Å²	63.1	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.5	178.2	-62.8	-173.2	179.8	-177.2	0	114.3	T668 E672	T668-K670 PolarHBondContact O-N 3.4Å; K670-E672 PolarHBondContact O-N 2.89Å
671	T	94.2	Very high	91.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.			trans	-70.6	123.8	178.6	-44.2	0	0	0	0	108.2	H622 L623 Y657 S658 F667 T668 F673	H622-T671 WeakPolarHBondContact CA-O 3.44Å; L623-T671 PolarHBondContact N-O 3.44Å; Y657-T671 HydrophobicContact CD2-CG2 4.45Å; S658-T671 WeakPolarHBondContact O-CA 3.25Å; S658-T671 WeakPolarHBondContact O-CG2 3.3Å; F667-T671 HydrophobicContact CD1-CG2 3.9Å; F667-T671 HydrophobicContact CE1-CG2 4.44Å; T668-T671 PolarHBondContact N-OG1 3.3Å; T668-T671 VanDerWaalsContact O-CB 3.31Å; T668-T671 WeakPolarHBondContact O-CB 3.27Å; T668-T671 PolarHBondContact O-N 3.08Å; T668-T671 PolarHBondContact O-OG1 3.17Å; T668-T671 PolarHBondContact OG1-OG1 3.36Å; T671-F673 HydrophobicContact CG2-CD2 4.46Å; T671-F673 HydrophobicContact CG2-CE1 4.24Å; T671-F673 HydrophobicContact CG2-CE2 3.73Å; T671-F673 HydrophobicContact CG2-CZ 3.6Å; T671-F673 WeakPolarHBondContact O-CD2 3.28Å; T671-F673 WeakPolarHBondContact O-CE2 3.14Å
672	E	95.5	Very high	91	Very high	70 Å²	70	56.6 Å²	56.6	33%	0.327	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.9	175.9	-67.7	-174.1	172	0	0	110	H620 H622 Y657 S658 K670 W674	H620-E672 HydrophobicContact CB-CB 4.49Å; H620-E672 IonicContact CG-OE2 2.71Å; H620-E672 IonicContact ND1-OE2 3.84Å; H620-E672 PolarHBondContact ND1-OE2 2.97Å; H620-E672 VanDerWaalsContact ND1-OE2 3.16Å; H622-E672 IonicContact CE1-OE1 2.79Å; H622-E672 IonicContact NE2-OE1 2.63Å; Y657-E672 CarbonylContact C-O 3.59Å; Y657-E672 WeakPolarHBondContact CA-O 3.45Å; S658-E672 PolarHBondContact N-O 3.49Å; S658-E672 PolarHBondContact O-N 3.14Å; K670-E672 PolarHBondContact O-N 2.89Å; E672-W674 HydrophobicContact CB-CZ3 4.49Å
673	F	97.1	Very high	90.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.8	178.2	-60.6	-91.3	0	0	0	110.1	W613 H620 L621 L623 L626 L641 V655 C656 Y657 F667 T671	W613-F673 HydrophobicContact CH2-CB 4.05Å; W613-F673 HydrophobicContact CZ2-CB 3.76Å; H620-F673 WeakPolarHBondContact CA-O 3.48Å; L621-F673 PolarHBondContact N-O 2.96Å; L621-F673 PolarHBondContact O-N 3.29Å; L623-F673 HydrophobicContact CB-CE2 4.11Å; L623-F673 HydrophobicContact CD1-CE2 4.21Å; L626-F673 HydrophobicContact CD1-CB 4.03Å; L626-F673 HydrophobicContact CD1-CD2 3.74Å; L626-F673 HydrophobicContact CD1-CE2 4.48Å; L626-F673 HydrophobicContact CD1-CG 4.02Å; L641-F673 HydrophobicContact CB-CE1 4.26Å; L641-F673 HydrophobicContact CD1-CD1 4.48Å; L641-F673 HydrophobicContact CD1-CD2 4.47Å; L641-F673 HydrophobicContact CD1-CE1 4.08Å; L641-F673 HydrophobicContact CD1-CE2 4.06Å; L641-F673 HydrophobicContact CD1-CZ 3.85Å; L641-F673 HydrophobicContact CD2-CD1 4.02Å; L641-F673 HydrophobicContact CD2-CE1 4.27Å; L641-F673 HydrophobicContact CD2-CG 4.35Å; L641-F673 HydrophobicContact CG-CE1 4.45Å; V655-F673 HydrophobicContact CG1-CB 4.05Å; V655-F673 HydrophobicContact CG1-CD1 4.09Å; C656-F673 CarbonylContact O-C 3.39Å; C656-F673 VanDerWaalsContact O-CA 3.28Å; C656-F673 WeakPolarHBondContact O-CA 3.49Å; Y657-F673 HydrophobicContact CG-CE1 4.34Å; F667-F673 HydrophobicContact CB-CZ 4.48Å; F667-F673 HydrophobicContact CD1-CE1 4.32Å; F667-F673 AromaticContact CD1-CZ 3.89Å; F667-F673 HydrophobicContact CD1-CZ 3.89Å; F667-F673 HydrophobicContact CD2-CZ 4.13Å; F667-F673 AromaticContact CE1-CE1 3.97Å; F667-F673 HydrophobicContact CE1-CE1 3.97Å; F667-F673 HydrophobicContact CE1-CZ 4.03Å; F667-F673 HydrophobicContact CE2-CE1 4.25Å; F667-F673 HydrophobicContact CE2-CZ 4.26Å; F667-F673 AromaticContact CG-CZ 3.94Å; F667-F673 HydrophobicContact CG-CZ 3.94Å; F667-F673 AromaticContact CZ-CE1 3.93Å; F667-F673 HydrophobicContact CZ-CE1 3.93Å; F667-F673 HydrophobicContact CZ-CZ 4.2Å; T671-F673 HydrophobicContact CG2-CD2 4.46Å; T671-F673 HydrophobicContact CG2-CE1 4.24Å; T671-F673 HydrophobicContact CG2-CE2 3.73Å; T671-F673 HydrophobicContact CG2-CZ 3.6Å; T671-F673 WeakPolarHBondContact O-CD2 3.28Å; T671-F673 WeakPolarHBondContact O-CE2 3.14Å
674	W	96.3	Very high	90.3	Very high	70 Å²	70	64.5 Å²	64.5	27%	0.265	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.8	176.7	64	97.7	0	0	0	111.8	H620 V655 C656 E672	H620-W674 AromaticContact CD2-CG 3.93Å; H620-W674 AromaticContact CE1-CD2 3.34Å; H620-W674 AromaticContact CE1-CE2 3.85Å; H620-W674 AromaticContact CE1-CE3 3.28Å; H620-W674 AromaticContact CE1-CG 3.8Å; H620-W674 AromaticContact CE1-CZ3 3.78Å; H620-W674 AromaticContact ND1-CD2 3.84Å; H620-W674 AromaticContact ND1-CE3 3.37Å; H620-W674 AromaticContact ND1-CZ3 3.9Å; H620-W674 AromaticContact NE2-CD1 3.99Å; H620-W674 AromaticContact NE2-CD2 3.61Å; H620-W674 AromaticContact NE2-CE3 3.97Å; H620-W674 AromaticContact NE2-CG 3.54Å; V655-W674 CarbonylContact C-O 3.42Å; V655-W674 WeakPolarHBondContact CA-O 3.43Å; C656-W674 HydrophobicContact CB-CD2 3.8Å; C656-W674 HydrophobicContact CB-CE3 4.5Å; C656-W674 HydrophobicContact CB-CG 4.16Å; C656-W674 HydrophobicContact CB-CH2 4.27Å; C656-W674 HydrophobicContact CB-CZ2 3.53Å; C656-W674 VanDerWaalsContact CB-NE1 3.31Å; C656-W674 PolarHBondContact N-O 3.28Å; C656-W674 PolarHBondContact O-N 3.28Å; E672-W674 HydrophobicContact CB-CZ3 4.49Å
675	L	95.7	Very high	90	Very high	21 Å²	21	65.3 Å²	65.3	11%	0.11	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.5	178.5	-65.8	-177.7	0	0	0	111.7	Y591 L610 W613 V655 L677	Y591-L675 HydrophobicContact CE2-CD1 4.2Å; Y591-L675 HydrophobicContact CE2-CD2 4.3Å; L610-L675 HydrophobicContact CD2-CD2 3.94Å; W613-L675 HydrophobicContact CB-CD1 3.47Å; W613-L675 VanDerWaalsContact CB-CD1 3.47Å; W613-L675 HydrophobicContact CB-CD2 4.4Å; W613-L675 HydrophobicContact CB-CG 3.83Å; W613-L675 HydrophobicContact CD2-CD2 4.04Å; W613-L675 HydrophobicContact CD2-CG 3.99Å; W613-L675 HydrophobicContact CE3-CD2 3.99Å; W613-L675 HydrophobicContact CE3-CG 4.45Å; W613-L675 HydrophobicContact CG-CD1 3.95Å; W613-L675 HydrophobicContact CG-CD2 4.24Å; W613-L675 HydrophobicContact CG-CG 3.72Å; V655-L675 HydrophobicContact CG2-CD2 4.28Å; L675-L677 HydrophobicContact CB-CD2 4.38Å; L675-L677 PolarHBondContact O-N 3.04Å; L675-L677 VanDerWaalsContact O-N 3.11Å
676	N	94.3	Very high	89.8	Confident	29 Å²	29	65.5 Å²	65.5	16%	0.155	34%	0.335	C	S	.	.			trans	-81.7	82.6	173.4	-176	8.4	0	0	0	111.8	Y591 Q653 I654 K678 F679	Y591-N676 PolarHBondContact OH-O 2.94Å; Q653-N676 WeakPolarHBondContact O-CB 3.41Å; Q653-N676 PolarHBondContact O-ND2 3.37Å; I654-N676 WeakPolarHBondContact O-CB 3.33Å; I654-N676 PolarHBondContact O-N 2.9Å; N676-K678 PolarHBondContact O-N 2.88Å; N676-K678 PolarHBondContact OD1-N 3.32Å; N676-F679 HydrophobicContact CB-CB 4.41Å; N676-F679 WeakPolarHBondContact O-CB 3.44Å; N676-F679 PolarHBondContact O-N 3.4Å; N676-F679 PolarHBondContact OD1-N 3.07Å
677	L	92	Very high	89.4	Confident	52 Å²	52	65.4 Å²	65.4	27%	0.272	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.6	179.9	-57.3	179.7	0	0	0	113.6	S593 D594 Y617 L675 F679	S593-L677 CarbonylContact C-O 3.58Å; S593-L677 WeakPolarHBondContact CA-O 3.28Å; S593-L677 VanDerWaalsContact CB-O 3.29Å; S593-L677 WeakPolarHBondContact CB-O 3.4Å; D594-L677 PolarHBondContact N-O 3.2Å; Y617-L677 HydrophobicContact CD2-CD1 4.21Å; Y617-L677 HydrophobicContact CD2-CD2 4.19Å; L675-L677 HydrophobicContact CB-CD2 4.38Å; L675-L677 PolarHBondContact O-N 3.04Å; L675-L677 VanDerWaalsContact O-N 3.11Å; L677-F679 VanDerWaalsContact C-N 3.31Å; L677-F679 PolarHBondContact O-N 3.21Å
678	K	91	Very high	88.9	Confident	141 Å²	141	68.6 Å²	68.6	61%	0.613	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	15.7	176.2	-62.6	-178.9	-179.2	178.8	0	113.4	D594 H595 Q652 N676 T680	D594-K678 WeakPolarHBondContact OD2-CG 3.48Å; H595-K678 PolarHBondContact CD2-O 2.63Å; Q652-K678 PolarHBondContact OE1-O 3.39Å; N676-K678 PolarHBondContact O-N 2.88Å; N676-K678 PolarHBondContact OD1-N 3.32Å; K678-T680 PolarHBondContact O-N 3.19Å
679	F	91.4	Very high	88.3	Confident	1 Å²	1	72.6 Å²	72.6	0%	0.004	37%	0.374	C	S	.	.			trans	-57.5	129.8	-179.5	174.1	-92.5	0	0	0	111.6	Y591 S593 Y598 F600 L650 Q652 I654 N676 L677 N681 I693	Y591-F679 HydrophobicContact CE1-CB 4.02Å; Y591-F679 HydrophobicContact CE1-CD1 4.5Å; Y591-F679 HydrophobicContact CE1-CG 4.49Å; S593-F679 PolarHBondContact OG-O 3.49Å; Y598-F679 HydrophobicContact CD1-CE1 4.11Å; Y598-F679 AromaticContact CD2-CD1 3.81Å; Y598-F679 HydrophobicContact CD2-CD1 3.81Å; Y598-F679 AromaticContact CD2-CE1 3.99Å; Y598-F679 HydrophobicContact CD2-CE1 3.99Å; Y598-F679 HydrophobicContact CE1-CE1 4.17Å; Y598-F679 AromaticContact CE2-CD1 3.73Å; Y598-F679 HydrophobicContact CE2-CD1 3.73Å; Y598-F679 HydrophobicContact CE2-CE1 4.01Å; Y598-F679 HydrophobicContact CG-CD1 4.32Å; Y598-F679 HydrophobicContact CG-CE1 4.04Å; F600-F679 HydrophobicContact CE1-CE1 4.12Å; F600-F679 HydrophobicContact CE1-CZ 4.09Å; F600-F679 HydrophobicContact CZ-CD1 4.15Å; F600-F679 AromaticContact CZ-CE1 3.66Å; F600-F679 HydrophobicContact CZ-CE1 3.66Å; F600-F679 AromaticContact CZ-CZ 3.87Å; F600-F679 HydrophobicContact CZ-CZ 3.87Å; L650-F679 HydrophobicContact CD1-CE2 4.37Å; Q652-F679 HydrophobicContact CB-CD2 4.16Å; Q652-F679 HydrophobicContact CB-CE2 4.48Å; Q652-F679 VanDerWaalsContact O-CE2 3.27Å; Q652-F679 WeakPolarHBondContact O-CE2 2.97Å; I654-F679 HydrophobicContact CG1-CD2 4.26Å; I654-F679 HydrophobicContact CG1-CE2 4.09Å; N676-F679 HydrophobicContact CB-CB 4.41Å; N676-F679 WeakPolarHBondContact O-CB 3.44Å; N676-F679 PolarHBondContact O-N 3.4Å; N676-F679 PolarHBondContact OD1-N 3.07Å; L677-F679 VanDerWaalsContact C-N 3.31Å; L677-F679 PolarHBondContact O-N 3.21Å; F679-N681 HydrophobicContact CE1-CB 4.43Å; F679-N681 HydrophobicContact CZ-CB 4.49Å; F679-I693 HydrophobicContact CE1-CD1 4.11Å; F679-I693 HydrophobicContact CZ-CD1 3.99Å
680	T	89.6	Confident	87.9	Confident	19 Å²	19	77.7 Å²	77.7	12%	0.117	38%	0.38	C	S	.	.			trans	-130.6	131.5	170.2	55.6	0	0	0	0	109.3	H595 Q652 K678 T682	H595-T680 HydrophobicContact CB-CG2 3.73Å; H595-T680 WeakPolarHBondContact CD2-CG2 2.96Å; Q652-T680 PolarHBondContact NE2-OG1 3.16Å; Q652-T680 PolarHBondContact OE1-O 3.27Å; Q652-T680 PolarHBondContact OE1-OG1 2.77Å; K678-T680 PolarHBondContact O-N 3.19Å; T680-T682 PolarHBondContact O-N 2.84Å; T680-T682 PolarHBondContact O-OG1 3.39Å; T680-T682 WeakPolarHBondContact OG1-CG2 3.29Å
681	N	86.7	Confident	87.8	Confident	20 Å²	20	75.5 Å²	75.5	11%	0.107	37%	0.367	C	S	.	.			trans	-69.4	95.7	172.4	-174.4	9.3	0	0	0	109.5	Y598 F679 V687 Q688 R690 I693	Y598-N681 HydrophobicContact CE1-CB 3.73Å; Y598-N681 PolarHBondContact OH-N 3.41Å; F679-N681 HydrophobicContact CE1-CB 4.43Å; F679-N681 HydrophobicContact CZ-CB 4.49Å; N681-V687 CarbonylContact O-C 3.5Å; N681-Q688 HydrophobicContact CB-CB 4.39Å; N681-Q688 WeakPolarHBondContact O-CB 3.4Å; N681-Q688 PolarHBondContact O-N 2.89Å; N681-R690 PolarHBondContact ND2-O 2.87Å; N681-I693 HydrophobicContact CB-CD1 3.87Å
682	T	85.8	Confident	87.5	Confident	18 Å²	18	81.6 Å²	81.6	11%	0.11	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.6	-178.4	39	0	0	0	0	110.3	E651 T680 K686 V687	E651-T682 WeakPolarHBondContact OE2-CB 3.45Å; T680-T682 PolarHBondContact O-N 2.84Å; T680-T682 PolarHBondContact O-OG1 3.39Å; T680-T682 WeakPolarHBondContact OG1-CG2 3.29Å; T682-K686 WeakPolarHBondContact CA-O 3.3Å; T682-V687 HydrophobicContact CG2-CG2 3.96Å
683	K	81.1	Confident	87.2	Confident	138 Å²	138	79 Å²	79	60%	0.6	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.2	172.9	-169.7	179.8	-178.9	-175.3	0	109	G685 K686 Q688	K683-G685 PolarHBondContact O-N 3.2Å; K683-K686 PolarHBondContact N-O 2.79Å; K683-K686 PolarHBondContact O-N 2.63Å; K683-K686 VanDerWaalsContact O-N 3.15Å; K683-Q688 HydrophobicContact CB-CG 3.9Å
684	M	81.1	Confident	86.8	Confident	166 Å²	166	82 Å²	82	82%	0.818	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.2	-169.8	-56.7	-63.4	-65.1	0	0	111.8	E651 K686	E651-M684 WeakPolarHBondContact OE1-CA 3.27Å; E651-M684 PolarHBondContact OE1-N 3.13Å; M684-K686 PolarHBondContact O-N 2.89Å
685	G	79.5	Confident	86.4	Confident	64 Å²	64	78.7 Å²	78.7	66%	0.66	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	2.9	-179.1	0	0	0	0	0	115.7	E651 K683	E651-G685 PolarHBondContact OE2-N 2.72Å; K683-G685 PolarHBondContact O-N 3.2Å
686	K	82.6	Confident	85.7	Confident	157 Å²	157	77.8 Å²	77.8	68%	0.683	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.9	176	-65	-174.8	-178.8	-177.9	0	111.2	T682 K683 M684 Q688	T682-K686 WeakPolarHBondContact CA-O 3.3Å; K683-K686 PolarHBondContact N-O 2.79Å; K683-K686 PolarHBondContact O-N 2.63Å; K683-K686 VanDerWaalsContact O-N 3.15Å; M684-K686 PolarHBondContact O-N 2.89Å; K686-Q688 PolarHBondContact O-N 2.93Å; K686-Q688 PolarHBondContact O-NE2 2.97Å; K686-Q688 VanDerWaalsContact O-NE2 3.17Å
687	V	83.1	Confident	84.4	Confident	95 Å²	95	77.6 Å²	77.6	58%	0.576	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	128.2	174.6	-177.7	0	0	0	0	109.6	N681 T682	N681-V687 CarbonylContact O-C 3.5Å; T682-V687 HydrophobicContact CG2-CG2 3.96Å
688	Q	81.9	Confident	82.5	Confident	72 Å²	72	84.8 Å²	84.8	34%	0.336	41%	0.405	S	S	.	.			trans	-93.4	133.6	179.5	-58.9	-63.4	-58.3	0	0	109.8	N681 K683 K686 R690	N681-Q688 HydrophobicContact CB-CB 4.39Å; N681-Q688 WeakPolarHBondContact O-CB 3.4Å; N681-Q688 PolarHBondContact O-N 2.89Å; K683-Q688 HydrophobicContact CB-CG 3.9Å; K686-Q688 PolarHBondContact O-N 2.93Å; K686-Q688 PolarHBondContact O-NE2 2.97Å; K686-Q688 VanDerWaalsContact O-NE2 3.17Å; Q688-R690 PolarHBondContact O-N 3.41Å
689	N	80.1	Confident	80.7	Confident	155 Å²	155	80 Å²	80	83%	0.829	39%	0.386	S	S	*	.	S	Bend	trans	-69.2	-14.3	175	-71.2	-12.2	0	0	0	113.2	R691	N689-R691 WeakPolarHBondContact O-CG 3.42Å; N689-R691 PolarHBondContact O-N 3.46Å; N689-R691 VanDerWaalsContact O-N 3.09Å
690	R	80.2	Confident	78.8	Confident	170 Å²	170	83.7 Å²	83.7	64%	0.642	40%	0.403	S	S	*	.			trans	-69.9	108.1	-178.4	-176.4	175.2	175.6	165.1	2.9	110.1	N681 Q688 R692	N681-R690 PolarHBondContact ND2-O 2.87Å; Q688-R690 PolarHBondContact O-N 3.41Å; R690-R692 WeakPolarHBondContact CG-O 3.27Å; R690-R692 PolarHBondContact NE-O 3.03Å
691	R	84.2	Confident	76.9	Confident	128 Å²	128	83.7 Å²	83.7	48%	0.483	40%	0.402	S	S	.	.			trans	-86	-21.6	-179.6	-57.1	-127.6	-177.4	-145.1	-1.9	113.9	H595 R597 Y598 E599 N689	H595-R691 PolarHBondContact O-NH1 3.24Å; R597-R691 WeakPolarHBondContact O-CD 3.14Å; R597-R691 PolarHBondContact O-NH1 2.81Å; Y598-R691 CarbonylContact C-O 3.57Å; Y598-R691 WeakPolarHBondContact CA-O 3.41Å; Y598-R691 HydrophobicContact CD1-CB 4.46Å; E599-R691 PolarHBondContact N-O 3.01Å; N689-R691 WeakPolarHBondContact O-CG 3.42Å; N689-R691 PolarHBondContact O-N 3.46Å; N689-R691 VanDerWaalsContact O-N 3.09Å
692	R	89.5	Confident	75.1	Confident	128 Å²	128	84.4 Å²	84.4	48%	0.483	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.9	176.5	-170.9	172.1	175	-174.4	0.4	112.2	E599 R690	E599-R692 HydrophobicContact CB-CB 4.16Å; E599-R692 HydrophobicContact CB-CG 4.03Å; E599-R692 CarbonylContact O-C 3.58Å; E599-R692 VanDerWaalsContact O-CA 3.28Å; E599-R692 WeakPolarHBondContact O-CA 3.28Å; R690-R692 WeakPolarHBondContact CG-O 3.27Å; R690-R692 PolarHBondContact NE-O 3.03Å
693	I	89.1	Confident	73.4	Confident	16 Å²	16	84.8 Å²	84.8	8%	0.082	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.8	-172.2	-62.6	162.8	0	0	0	109	Y598 E599 F600 E601 L650 F679 N681 L695	Y598-I693 HydrophobicContact CD1-CD1 4.04Å; E599-I693 PolarHBondContact O-N 2.94Å; F600-I693 WeakPolarHBondContact CA-O 3.31Å; F600-I693 HydrophobicContact CD1-CB 3.82Å; F600-I693 HydrophobicContact CD1-CD1 4.4Å; F600-I693 HydrophobicContact CD1-CG2 4.21Å; F600-I693 HydrophobicContact CE1-CB 3.94Å; F600-I693 HydrophobicContact CE1-CD1 3.69Å; F600-I693 HydrophobicContact CE1-CG1 4.39Å; F600-I693 HydrophobicContact CE1-CG2 4.21Å; E601-I693 PolarHBondContact N-O 3.11Å; L650-I693 HydrophobicContact CD2-CG2 4.23Å; F679-I693 HydrophobicContact CE1-CD1 4.11Å; F679-I693 HydrophobicContact CZ-CD1 3.99Å; N681-I693 HydrophobicContact CB-CD1 3.87Å; I693-L695 HydrophobicContact CG2-CD2 3.73Å; I693-L695 HydrophobicContact CG2-CG 4.35Å
694	N	87.6	Confident	71.8	Confident	62 Å²	62	84 Å²	84	33%	0.332	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.3	177	-178.3	-44	0	0	0	110.2	E601 I696 G697	E601-N694 HydrophobicContact CB-CB 4.3Å; E601-N694 PolarHBondContact OE1-ND2 3.04Å; E601-N694 PolarHBondContact OE2-ND2 3.13Å; N694-I696 WeakPolarHBondContact OD1-CB 3.42Å; N694-I696 PolarHBondContact OD1-N 2.9Å; N694-G697 PolarHBondContact OD1-N 3.3Å
695	L	87.4	Confident	70.4	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.005	39%	0.386	C	S	.	.			trans	-103	-2.4	-180	-56.2	178.7	0	0	0	112.8	F600 E601 V602 Q606 L650 I654 I693 G697 L699	F600-L695 HydrophobicContact CB-CD1 3.8Å; F600-L695 HydrophobicContact CB-CG 4.44Å; F600-L695 HydrophobicContact CD1-CD1 3.62Å; F600-L695 HydrophobicContact CD1-CD2 4.42Å; F600-L695 HydrophobicContact CD1-CG 4.02Å; F600-L695 HydrophobicContact CD2-CD1 4.34Å; F600-L695 HydrophobicContact CE1-CD1 4.25Å; F600-L695 HydrophobicContact CG-CD1 3.7Å; F600-L695 HydrophobicContact CG-CG 4.46Å; E601-L695 WeakPolarHBondContact O-CA 3.41Å; E601-L695 WeakPolarHBondContact O-CB 3.27Å; E601-L695 PolarHBondContact O-N 3.26Å; V602-L695 HydrophobicContact CG1-CB 4.11Å; V602-L695 HydrophobicContact CG1-CD1 3.76Å; V602-L695 HydrophobicContact CG1-CG 4.39Å; Q606-L695 PolarHBondContact NE2-O 3.26Å; L650-L695 HydrophobicContact CD1-CD2 3.76Å; I654-L695 HydrophobicContact CD1-CD1 3.17Å; I654-L695 HydrophobicContact CD1-CD2 3.95Å; I654-L695 HydrophobicContact CD1-CG 4.2Å; I693-L695 HydrophobicContact CG2-CD2 3.73Å; I693-L695 HydrophobicContact CG2-CG 4.35Å; L695-G697 VanDerWaalsContact C-N 3.35Å; L695-L699 WeakPolarHBondContact O-CD1 3.48Å
696	I	82.4	Confident	69.4	Low	2 Å²	2	77.5 Å²	77.5	1%	0.01	36%	0.36	C	S	.	.			trans	-69	-40.1	170.5	-53.1	174	0	0	0	108.9	L459 H586 E601 T603 N694 R698 L699 L701	L459-I696 HydrophobicContact CD1-CG2 4.12Å; L459-I696 HydrophobicContact CD2-CD1 4.28Å; H586-I696 HydrophobicContact CB-CD1 3.6Å; E601-I696 HydrophobicContact CG-CD1 3.84Å; E601-I696 HydrophobicContact CG-CG1 4.5Å; E601-I696 PolarHBondContact O-N 3.16Å; T603-I696 HydrophobicContact CG2-CG1 4.28Å; T603-I696 HydrophobicContact CG2-CG2 4.11Å; N694-I696 WeakPolarHBondContact OD1-CB 3.42Å; N694-I696 PolarHBondContact OD1-N 2.9Å; I696-R698 PolarHBondContact O-N 3.47Å; I696-L699 VanDerWaalsContact O-CB 3.25Å; I696-L699 WeakPolarHBondContact O-CB 3.16Å; I696-L699 PolarHBondContact O-N 3.48Å; I696-L701 HydrophobicContact CG2-CD2 4.46Å
697	G	66.7	Low	68.5	Low	24 Å²	24	73 Å²	73	25%	0.247	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-124.8	164.1	0	0	0	0	0	115.1	R455 N694 L695	R455-G697 PolarHBondContact NH2-O 2.9Å; N694-G697 PolarHBondContact OD1-N 3.3Å; L695-G697 VanDerWaalsContact C-N 3.35Å
698	R	52.6	Low	67.8	Low	203 Å²	203	75.4 Å²	75.4	77%	0.766	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	7.2	170.4	-75.7	-169.6	-169.4	177.1	3	112.1	I696 Q700	I696-R698 PolarHBondContact O-N 3.47Å; R698-Q700 PolarHBondContact O-N 3.49Å
699	L	51.8	Low	67.2	Low	41 Å²	41	75.8 Å²	75.8	22%	0.215	35%	0.35	C	S	.	.			trans	-54.9	121	177.3	-75.2	139.3	0	0	0	107.1	Q606 L695 I696 L701	Q606-L699 VanDerWaalsContact NE2-CD1 3.27Å; L695-L699 WeakPolarHBondContact O-CD1 3.48Å; I696-L699 VanDerWaalsContact O-CB 3.25Å; I696-L699 WeakPolarHBondContact O-CB 3.16Å; I696-L699 PolarHBondContact O-N 3.48Å; L699-L701 PolarHBondContact O-N 3.32Å; L699-L701 VanDerWaalsContact O-N 3.13Å
700	Q	51.4	Low	66.7	Low	79 Å²	79	69.5 Å²	69.5	37%	0.369	32%	0.316	S	S	.	.			trans	-60.9	121.9	171.8	-64.8	169.4	-18.6	0	0	104.2	R698 T702	R698-Q700 PolarHBondContact O-N 3.49Å; Q700-T702 WeakPolarHBondContact CB-O 3.36Å; Q700-T702 PolarHBondContact O-N 2.95Å; Q700-T702 PolarHBondContact OE1-O 3.4Å
701	L	50.2	Low	66.5	Low	18 Å²	18	61.9 Å²	61.9	9%	0.094	29%	0.288	C	S	.	.	S	Bend	trans	-62.4	-1.2	164	-65.7	169.6	0	0	0	110.8	R455 L459 H583 L584 T603 I696 L699	R455-L701 HydrophobicContact CG-CD1 3.98Å; L459-L701 HydrophobicContact CD1-CD1 4.04Å; L459-L701 HydrophobicContact CD2-CD1 4.22Å; L459-L701 HydrophobicContact CG-CD1 4.1Å; H583-L701 PolarHBondContact CD2-O 3.36Å; L584-L701 HydrophobicContact CD2-CB 4.03Å; T603-L701 HydrophobicContact CG2-CD2 3.98Å; I696-L701 HydrophobicContact CG2-CD2 4.46Å; L699-L701 PolarHBondContact O-N 3.32Å; L699-L701 VanDerWaalsContact O-N 3.13Å
702	T	48.3	Very low	66.3	Low	36 Å²	36	57.8 Å²	57.8	22%	0.221	28%	0.275	C	S	.	.	S	Bend	trans	-121.2	145.3	-177.6	44.3	0	0	0	0	111.2	R639 Q700 T706	R639-T702 PolarHBondContact NH1-O 2.97Å; R639-T702 PolarHBondContact NH2-O 3.47Å; Q700-T702 WeakPolarHBondContact CB-O 3.36Å; Q700-T702 PolarHBondContact O-N 2.95Å; Q700-T702 PolarHBondContact OE1-O 3.4Å; T702-T706 WeakPolarHBondContact CB-OG1 3.47Å
703	H	51.2	Low	65.9	Low	26 Å²	26	52.8 Å²	52.8	12%	0.12	26%	0.261	C	S	.	.			trans	-74.7	151.4	-173.8	-143.9	-115.4	0	0	0	111.6	V635 D636 I705 T706	V635-H703 WeakPolarHBondContact CG1-CE1 3.46Å; D636-H703 IonicContact OD1-CD2 2.75Å; D636-H703 PolarHBondContact OD1-CD2 2.79Å; D636-H703 IonicContact OD1-NE2 3.82Å; D636-H703 PolarHBondContact OD1-NE2 2.89Å; H703-I705 HydrophobicContact CB-CB 4.43Å; H703-I705 WeakPolarHBondContact ND1-CB 3.35Å; H703-I705 VanDerWaalsContact ND1-CD1 3.34Å; H703-I705 WeakPolarHBondContact ND1-CD1 3.45Å; H703-I705 VanDerWaalsContact ND1-CG1 3.3Å; H703-I705 WeakPolarHBondContact ND1-CG1 3.44Å; H703-I705 PolarHBondContact O-N 2.84Å; H703-T706 HydrophobicContact CB-CG2 3.99Å; H703-T706 PolarHBondContact N-OG1 3.09Å; H703-T706 VanDerWaalsContact N-OG1 3.16Å; H703-T706 WeakPolarHBondContact O-CB 3.46Å; H703-T706 PolarHBondContact O-N 3.13Å; H703-T706 PolarHBondContact O-OG1 3.13Å
704	E	47.8	Very low	65.7	Low	121 Å²	121	52.6 Å²	52.6	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-59.4	-33.5	169.9	-83.3	-174.2	168.5	0	0	111.3	T706 N707	E704-T706 PolarHBondContact O-N 3.42Å; E704-N707 WeakPolarHBondContact O-CB 3.24Å; E704-N707 PolarHBondContact O-N 2.8Å
705	I	51.6	Low	65.6	Low	76 Å²	76	50.2 Å²	50.2	39%	0.39	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-34.9	172.5	-58.5	178.3	0	0	0	111.1	H703 N707 E708 E709	H703-I705 HydrophobicContact CB-CB 4.43Å; H703-I705 WeakPolarHBondContact ND1-CB 3.35Å; H703-I705 VanDerWaalsContact ND1-CD1 3.34Å; H703-I705 WeakPolarHBondContact ND1-CD1 3.45Å; H703-I705 VanDerWaalsContact ND1-CG1 3.3Å; H703-I705 WeakPolarHBondContact ND1-CG1 3.44Å; H703-I705 PolarHBondContact O-N 2.84Å; I705-N707 VanDerWaalsContact C-N 3.27Å; I705-N707 PolarHBondContact O-N 3.46Å; I705-E708 PolarHBondContact O-N 2.89Å; I705-E709 HydrophobicContact CG2-CG 4.14Å; I705-E709 WeakPolarHBondContact O-CG 3.32Å; I705-E709 PolarHBondContact O-N 3.13Å
706	T	57.4	Low	65.5	Low	17 Å²	17	53.1 Å²	53.1	10%	0.104	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-28.4	175.4	59.5	0	0	0	0	112.1	T702 H703 E704 E708 E710	T702-T706 WeakPolarHBondContact CB-OG1 3.47Å; H703-T706 HydrophobicContact CB-CG2 3.99Å; H703-T706 PolarHBondContact N-OG1 3.09Å; H703-T706 VanDerWaalsContact N-OG1 3.16Å; H703-T706 WeakPolarHBondContact O-CB 3.46Å; H703-T706 PolarHBondContact O-N 3.13Å; H703-T706 PolarHBondContact O-OG1 3.13Å; E704-T706 PolarHBondContact O-N 3.42Å; T706-E708 PolarHBondContact O-N 2.97Å; T706-E710 WeakPolarHBondContact O-CA 3.27Å; T706-E710 WeakPolarHBondContact O-CB 3.44Å; T706-E710 WeakPolarHBondContact O-CG 3.32Å; T706-E710 PolarHBondContact O-N 3.12Å
707	N	64	Low	65.8	Low	64 Å²	64	56 Å²	56	34%	0.342	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-39.5	175.8	-78.5	-26.7	0	0	0	112.2	E704 I705 S711	E704-N707 WeakPolarHBondContact O-CB 3.24Å; E704-N707 PolarHBondContact O-N 2.8Å; I705-N707 VanDerWaalsContact C-N 3.27Å; I705-N707 PolarHBondContact O-N 3.46Å; N707-S711 VanDerWaalsContact O-CB 3.26Å; N707-S711 WeakPolarHBondContact O-CB 3.49Å; N707-S711 PolarHBondContact O-N 2.81Å; N707-S711 PolarHBondContact O-OG 2.88Å
708	E	67.5	Low	67	Low	144 Å²	144	55.7 Å²	55.7	67%	0.673	27%	0.268	S	S	*	.	H	α-helix	trans	-70.5	-48.3	175.5	-72.8	-176.8	177	0	0	111.4	I705 T706 E710 S711 M712	I705-E708 PolarHBondContact O-N 2.89Å; T706-E708 PolarHBondContact O-N 2.97Å; E708-E710 VanDerWaalsContact C-N 3.31Å; E708-E710 PolarHBondContact O-N 3.15Å; E708-S711 WeakPolarHBondContact O-CB 3.41Å; E708-S711 PolarHBondContact O-N 3.33Å; E708-S711 VanDerWaalsContact O-N 3.13Å; E708-M712 WeakPolarHBondContact O-CG 3.49Å; E708-M712 PolarHBondContact O-N 3.02Å
709	E	70.9	Confident	68.9	Low	80 Å²	80	48.1 Å²	48.1	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-40.2	176.7	-70.6	-178.3	163.4	0	0	112.3	Q547 I705 M712 A713	Q547-E709 PolarHBondContact NE2-OE2 2.82Å; I705-E709 HydrophobicContact CG2-CG 4.14Å; I705-E709 WeakPolarHBondContact O-CG 3.32Å; I705-E709 PolarHBondContact O-N 3.13Å; E709-M712 WeakPolarHBondContact O-CB 3.33Å; E709-M712 PolarHBondContact O-N 2.58Å; E709-A713 WeakPolarHBondContact O-CB 3.23Å; E709-A713 PolarHBondContact O-N 3.25Å
710	E	69.9	Low	70.9	Confident	24 Å²	24	50.9 Å²	50.9	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-35.3	176.2	-73.4	-177.8	179	0	0	111.7	R447 L544 T706 E708 M712 A713 I714	R447-E710 IonicContact CZ-OE2 2.91Å; R447-E710 IonicContact NH1-OE2 3.69Å; R447-E710 PolarHBondContact NH1-OE2 2.94Å; L544-E710 HydrophobicContact CD1-CG 3.68Å; T706-E710 WeakPolarHBondContact O-CA 3.27Å; T706-E710 WeakPolarHBondContact O-CB 3.44Å; T706-E710 WeakPolarHBondContact O-CG 3.32Å; T706-E710 PolarHBondContact O-N 3.12Å; E708-E710 VanDerWaalsContact C-N 3.31Å; E708-E710 PolarHBondContact O-N 3.15Å; E710-M712 VanDerWaalsContact C-N 3.34Å; E710-A713 WeakPolarHBondContact O-CB 3.42Å; E710-A713 PolarHBondContact O-N 3.36Å; E710-I714 PolarHBondContact O-N 3.26Å
711	S	75.7	Confident	72.9	Confident	10 Å²	10	49.1 Å²	49.1	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-41.2	173.2	-62.5	0	0	0	0	110.6	N707 E708 A713 I714 V715	N707-S711 VanDerWaalsContact O-CB 3.26Å; N707-S711 WeakPolarHBondContact O-CB 3.49Å; N707-S711 PolarHBondContact O-N 2.81Å; N707-S711 PolarHBondContact O-OG 2.88Å; E708-S711 WeakPolarHBondContact O-CB 3.41Å; E708-S711 PolarHBondContact O-N 3.33Å; E708-S711 VanDerWaalsContact O-N 3.13Å; S711-A713 VanDerWaalsContact C-N 3.33Å; S711-A713 PolarHBondContact O-N 2.71Å; S711-I714 WeakPolarHBondContact O-CB 3.46Å; S711-I714 PolarHBondContact O-N 3.27Å; S711-V715 WeakPolarHBondContact O-CG2 3.38Å; S711-V715 PolarHBondContact O-N 3.18Å
712	M	79.2	Confident	75	Confident	42 Å²	42	48.3 Å²	48.3	21%	0.207	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-40.8	171.4	-73.1	-65.5	-71	0	0	112	P385 V388 E708 E709 E710 I714 V715 E716	P385-M712 HydrophobicContact CB-SD 3.39Å; P385-M712 WeakPolarHBondContact CB-SD 3.27Å; P385-M712 HydrophobicContact CG-CG 4.1Å; P385-M712 HydrophobicContact CG-SD 3.6Å; V388-M712 HydrophobicContact CB-CE 4.02Å; V388-M712 HydrophobicContact CG1-CE 3.9Å; V388-M712 HydrophobicContact CG2-CE 4.01Å; E708-M712 WeakPolarHBondContact O-CG 3.49Å; E708-M712 PolarHBondContact O-N 3.02Å; E709-M712 WeakPolarHBondContact O-CB 3.33Å; E709-M712 PolarHBondContact O-N 2.58Å; E710-M712 VanDerWaalsContact C-N 3.34Å; M712-I714 VanDerWaalsContact C-N 3.29Å; M712-I714 PolarHBondContact O-N 2.92Å; M712-V715 WeakPolarHBondContact O-CB 3.37Å; M712-V715 PolarHBondContact O-N 3.1Å; M712-V715 VanDerWaalsContact O-N 3.08Å; M712-E716 PolarHBondContact O-N 2.83Å
713	A	81.3	Confident	77.3	Confident	22 Å²	22	48.1 Å²	48.1	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-34.6	176	0	0	0	0	0	112.4	E709 E710 S711 L717	E709-A713 WeakPolarHBondContact O-CB 3.23Å; E709-A713 PolarHBondContact O-N 3.25Å; E710-A713 WeakPolarHBondContact O-CB 3.42Å; E710-A713 PolarHBondContact O-N 3.36Å; S711-A713 VanDerWaalsContact C-N 3.33Å; S711-A713 PolarHBondContact O-N 2.71Å; A713-L717 VanDerWaalsContact O-CB 3.25Å; A713-L717 WeakPolarHBondContact O-CB 3.33Å; A713-L717 PolarHBondContact O-N 3.17Å
714	I	84.5	Confident	79.3	Confident	13 Å²	13	51.8 Å²	51.8	7%	0.067	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-46	171.2	-71.3	167.6	0	0	0	110.2	I444 R447 E710 S711 M712 L717 R718	I444-I714 HydrophobicContact CG1-CD1 4.21Å; R447-I714 HydrophobicContact CB-CD1 4.23Å; R447-I714 VanDerWaalsContact CD-CD1 3.44Å; R447-I714 HydrophobicContact CG-CD1 4.41Å; R447-I714 VanDerWaalsContact NE-CD1 3.26Å; E710-I714 PolarHBondContact O-N 3.26Å; S711-I714 WeakPolarHBondContact O-CB 3.46Å; S711-I714 PolarHBondContact O-N 3.27Å; M712-I714 VanDerWaalsContact C-N 3.29Å; M712-I714 PolarHBondContact O-N 2.92Å; I714-L717 PolarHBondContact O-N 3.33Å; I714-R718 HydrophobicContact CG2-CG 4.26Å; I714-R718 VanDerWaalsContact O-CG 3.28Å; I714-R718 WeakPolarHBondContact O-CG 3.21Å; I714-R718 PolarHBondContact O-N 2.9Å
715	V	84.9	Confident	81.6	Confident	11 Å²	11	46.2 Å²	46.2	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-47.7	-177.2	177.7	0	0	0	0	111.1	I384 P385 S711 M712 L717 R718 Q719	I384-V715 HydrophobicContact CG2-CG2 3.56Å; P385-V715 WeakPolarHBondContact O-CG2 3.47Å; S711-V715 WeakPolarHBondContact O-CG2 3.38Å; S711-V715 PolarHBondContact O-N 3.18Å; M712-V715 WeakPolarHBondContact O-CB 3.37Å; M712-V715 PolarHBondContact O-N 3.1Å; M712-V715 VanDerWaalsContact O-N 3.08Å; V715-L717 VanDerWaalsContact C-N 3.33Å; V715-L717 PolarHBondContact O-N 2.84Å; V715-R718 WeakPolarHBondContact O-CB 3.09Å; V715-R718 PolarHBondContact O-N 2.93Å; V715-Q719 PolarHBondContact O-N 3.07Å
716	E	86.9	Confident	83.7	Confident	63 Å²	63	42.6 Å²	42.6	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-59.6	-44.7	174.8	-71.7	174.1	-153.4	0	0	111.3	V388 R545 M712 R718 Q719 L720	V388-E716 HydrophobicContact CG2-CG 4.31Å; R545-E716 IonicContact CZ-OE1 3.2Å; R545-E716 IonicContact CZ-OE2 3.59Å; R545-E716 IonicContact NH2-OE1 2.63Å; R545-E716 PolarHBondContact NH2-OE1 3.46Å; R545-E716 IonicContact NH2-OE2 3.53Å; R545-E716 PolarHBondContact NH2-OE2 2.9Å; M712-E716 PolarHBondContact O-N 2.83Å; E716-R718 VanDerWaalsContact C-N 3.32Å; E716-R718 PolarHBondContact O-N 2.95Å; E716-Q719 WeakPolarHBondContact O-CB 3.2Å; E716-Q719 PolarHBondContact O-N 3.35Å; E716-L720 WeakPolarHBondContact O-CG 3.3Å; E716-L720 PolarHBondContact O-N 3.45Å
717	L	88.9	Confident	85.5	Confident	62 Å²	62	43.3 Å²	43.3	33%	0.325	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-40.2	178.2	-174.8	63	0	0	0	111.5	A713 I714 V715 Q719 L720 R721	A713-L717 VanDerWaalsContact O-CB 3.25Å; A713-L717 WeakPolarHBondContact O-CB 3.33Å; A713-L717 PolarHBondContact O-N 3.17Å; I714-L717 PolarHBondContact O-N 3.33Å; V715-L717 VanDerWaalsContact C-N 3.33Å; V715-L717 PolarHBondContact O-N 2.84Å; L717-Q719 VanDerWaalsContact C-N 3.34Å; L717-Q719 PolarHBondContact O-N 3.04Å; L717-L720 PolarHBondContact O-N 3.29Å; L717-R721 HydrophobicContact CD1-CG 4.31Å; L717-R721 HydrophobicContact CG-CG 4.34Å; L717-R721 WeakPolarHBondContact O-CB 3.31Å; L717-R721 WeakPolarHBondContact O-CG 3.48Å; L717-R721 PolarHBondContact O-N 3.17Å
718	R	92	Very high	86.9	Confident	18 Å²	18	46.2 Å²	46.2	7%	0.068	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-41.6	174.9	-73	177.2	176.3	-175	-0.6	111.8	E396 S441 D443 I714 V715 E716 R721 A722 F753 L759	E396-R718 VanDerWaalsContact CD-NH1 3.27Å; E396-R718 IonicContact OE1-CZ 3.71Å; E396-R718 IonicContact OE1-NH1 2.89Å; E396-R718 PolarHBondContact OE1-NH1 3.02Å; E396-R718 IonicContact OE1-NH2 2.75Å; E396-R718 IonicContact OE2-CZ 3.61Å; E396-R718 IonicContact OE2-NH1 3.39Å; E396-R718 PolarHBondContact OE2-NH1 3.22Å; E396-R718 VanDerWaalsContact OE2-NH1 3.13Å; E396-R718 IonicContact OE2-NH2 3.4Å; E396-R718 PolarHBondContact OE2-NH2 2.95Å; S441-R718 PolarHBondContact OG-NH2 3.36Å; D443-R718 IonicContact OD1-CZ 3.8Å; D443-R718 IonicContact OD1-NE 3.69Å; D443-R718 IonicContact OD1-NH2 3.31Å; D443-R718 PolarHBondContact OD1-NH2 3.31Å; D443-R718 IonicContact OD2-CZ 2.92Å; D443-R718 IonicContact OD2-NE 3.64Å; D443-R718 PolarHBondContact OD2-NE 3.37Å; D443-R718 IonicContact OD2-NH2 2.85Å; D443-R718 PolarHBondContact OD2-NH2 2.99Å; I714-R718 HydrophobicContact CG2-CG 4.26Å; I714-R718 VanDerWaalsContact O-CG 3.28Å; I714-R718 WeakPolarHBondContact O-CG 3.21Å; I714-R718 PolarHBondContact O-N 2.9Å; V715-R718 WeakPolarHBondContact O-CB 3.09Å; V715-R718 PolarHBondContact O-N 2.93Å; E716-R718 VanDerWaalsContact C-N 3.32Å; E716-R718 PolarHBondContact O-N 2.95Å; R718-R721 PolarHBondContact O-N 3.37Å; R718-A722 VanDerWaalsContact O-CB 3.3Å; R718-A722 WeakPolarHBondContact O-CB 3.36Å; R718-A722 PolarHBondContact O-N 3.31Å; R718-F753 HydrophobicContact CB-CD2 4.42Å; R718-F753 HydrophobicContact CB-CE1 4.01Å; R718-F753 HydrophobicContact CB-CE2 3.85Å; R718-F753 HydrophobicContact CB-CZ 3.63Å; R718-F753 HydrophobicContact CG-CD1 3.76Å; R718-F753 HydrophobicContact CG-CD2 3.88Å; R718-F753 HydrophobicContact CG-CE1 3.72Å; R718-F753 HydrophobicContact CG-CE2 3.81Å; R718-F753 HydrophobicContact CG-CG 3.86Å; R718-F753 HydrophobicContact CG-CZ 3.74Å; R718-F753 WeakPolarHBondContact O-CZ 2.77Å; R718-L759 HydrophobicContact CB-CD2 4.24Å
719	Q	92.1	Very high	88.3	Confident	44 Å²	44	40.4 Å²	40.4	21%	0.206	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-49.7	174.5	-73.2	177.4	-12.6	0	0	111.3	V715 E716 L717 R721 A722 Q723 L759	V715-Q719 PolarHBondContact O-N 3.07Å; E716-Q719 WeakPolarHBondContact O-CB 3.2Å; E716-Q719 PolarHBondContact O-N 3.35Å; L717-Q719 VanDerWaalsContact C-N 3.34Å; L717-Q719 PolarHBondContact O-N 3.04Å; Q719-R721 VanDerWaalsContact C-N 3.33Å; Q719-R721 PolarHBondContact O-N 3.06Å; Q719-A722 PolarHBondContact O-N 3.3Å; Q719-Q723 VanDerWaalsContact O-CG 3.27Å; Q719-Q723 WeakPolarHBondContact O-CG 3.27Å; Q719-Q723 PolarHBondContact O-N 2.74Å; Q719-L759 HydrophobicContact CB-CD1 4.43Å; Q719-L759 HydrophobicContact CG-CD1 3.58Å
720	L	92.9	Very high	89.4	Confident	98 Å²	98	36.6 Å²	36.6	51%	0.513	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-41.6	178.3	-68.5	171.9	0	0	0	112	E716 L717 Q723 E724	E716-L720 WeakPolarHBondContact O-CG 3.3Å; E716-L720 PolarHBondContact O-N 3.45Å; L717-L720 PolarHBondContact O-N 3.29Å; L720-Q723 WeakPolarHBondContact O-CB 3.4Å; L720-Q723 PolarHBondContact O-N 2.93Å; L720-E724 WeakPolarHBondContact O-CB 3.28Å; L720-E724 PolarHBondContact O-N 3.43Å
721	R	93.7	Very high	90.6	Very high	43 Å²	43	41 Å²	41	16%	0.162	20%	0.198	C	C	.	.	H	α-helix	trans	-68.8	-37.7	177.6	-69.8	-61.5	-175.5	-155.8	-3.1	113	E483 L717 R718 Q719 E724 G725 L749 F753	E483-R721 IonicContact OE1-NH2 3.72Å; E483-R721 IonicContact OE2-CZ 3.9Å; E483-R721 IonicContact OE2-NH1 2.73Å; E483-R721 IonicContact OE2-NH2 3.93Å; E483-R721 PolarHBondContact OE2-NH2 3.11Å; L717-R721 HydrophobicContact CD1-CG 4.31Å; L717-R721 HydrophobicContact CG-CG 4.34Å; L717-R721 WeakPolarHBondContact O-CB 3.31Å; L717-R721 WeakPolarHBondContact O-CG 3.48Å; L717-R721 PolarHBondContact O-N 3.17Å; R718-R721 PolarHBondContact O-N 3.37Å; Q719-R721 VanDerWaalsContact C-N 3.33Å; Q719-R721 PolarHBondContact O-N 3.06Å; R721-E724 IonicContact CZ-OE2 2.74Å; R721-E724 IonicContact NH1-OE2 2.62Å; R721-E724 PolarHBondContact NH1-OE2 3.06Å; R721-G725 PolarHBondContact O-N 2.98Å; R721-L749 HydrophobicContact CB-CD2 4.22Å; R721-F753 HydrophobicContact CB-CE1 4.09Å; R721-F753 HydrophobicContact CB-CZ 4.48Å
722	A	95	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.1	-42.1	172.9	0	0	0	0	0	111.2	R718 Q719 G725 I726 L749 L759 V763	R718-A722 VanDerWaalsContact O-CB 3.3Å; R718-A722 WeakPolarHBondContact O-CB 3.36Å; R718-A722 PolarHBondContact O-N 3.31Å; Q719-A722 PolarHBondContact O-N 3.3Å; A722-G725 PolarHBondContact O-N 3.26Å; A722-I726 WeakPolarHBondContact O-CB 3.26Å; A722-I726 WeakPolarHBondContact O-CD1 3.4Å; A722-I726 VanDerWaalsContact O-CG1 3.29Å; A722-I726 WeakPolarHBondContact O-CG1 3.25Å; A722-I726 PolarHBondContact O-N 3.26Å; A722-L749 HydrophobicContact CB-CD1 4.47Å; A722-L759 HydrophobicContact CB-CD2 4.3Å; A722-L759 HydrophobicContact CB-CG 4.39Å; A722-V763 HydrophobicContact CB-CG1 4.35Å; A722-V763 HydrophobicContact CB-CG2 3.98Å
723	Q	95.2	Very high	92.1	Very high	32 Å²	32	50.5 Å²	50.5	15%	0.15	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-53.5	174.5	-72.1	166.5	9.4	0	0	111.1	Q719 L720 G725 I726 I727 V763 W766	Q719-Q723 VanDerWaalsContact O-CG 3.27Å; Q719-Q723 WeakPolarHBondContact O-CG 3.27Å; Q719-Q723 PolarHBondContact O-N 2.74Å; L720-Q723 WeakPolarHBondContact O-CB 3.4Å; L720-Q723 PolarHBondContact O-N 2.93Å; Q723-G725 VanDerWaalsContact C-N 3.33Å; Q723-G725 PolarHBondContact O-N 3.12Å; Q723-I726 PolarHBondContact O-N 3.16Å; Q723-I727 WeakPolarHBondContact O-CB 3.04Å; Q723-I727 VanDerWaalsContact O-CG1 3.31Å; Q723-I727 WeakPolarHBondContact O-CG1 3.32Å; Q723-I727 PolarHBondContact O-N 2.85Å; Q723-V763 HydrophobicContact CB-CG1 4.16Å; Q723-V763 HydrophobicContact CG-CB 4.48Å; Q723-V763 HydrophobicContact CG-CG1 3.51Å; Q723-V763 HydrophobicContact CG-CG2 4.28Å; Q723-W766 HydrophobicContact CG-CE3 4.19Å; Q723-W766 HydrophobicContact CG-CZ3 4.24Å
724	E	94.4	Very high	92.6	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-46.1	178.1	-173.9	-171.1	172.7	0	0	111.4	L720 R721 I727 K728	L720-E724 WeakPolarHBondContact O-CB 3.28Å; L720-E724 PolarHBondContact O-N 3.43Å; R721-E724 IonicContact CZ-OE2 2.74Å; R721-E724 IonicContact NH1-OE2 2.62Å; R721-E724 PolarHBondContact NH1-OE2 3.06Å; E724-I727 PolarHBondContact O-N 2.92Å; E724-K728 VanDerWaalsContact O-CB 3.28Å; E724-K728 WeakPolarHBondContact O-CB 3.38Å; E724-K728 PolarHBondContact O-N 3.23Å
725	G	95	Very high	93.1	Very high	4 Å²	4	62.6 Å²	62.6	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-48.1	179.3	0	0	0	0	0	112.7	R721 A722 Q723 K728 L729	R721-G725 PolarHBondContact O-N 2.98Å; A722-G725 PolarHBondContact O-N 3.26Å; Q723-G725 VanDerWaalsContact C-N 3.33Å; Q723-G725 PolarHBondContact O-N 3.12Å; G725-K728 PolarHBondContact O-N 3.29Å; G725-L729 WeakPolarHBondContact O-CG 3.22Å; G725-L729 PolarHBondContact O-N 2.91Å
726	I	95.9	Very high	93.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-46.3	178.4	-70.8	163.1	0	0	0	110.9	A722 Q723 K728 L729 L730 L741 L745 I760 V763 L764 L767	A722-I726 WeakPolarHBondContact O-CB 3.26Å; A722-I726 WeakPolarHBondContact O-CD1 3.4Å; A722-I726 VanDerWaalsContact O-CG1 3.29Å; A722-I726 WeakPolarHBondContact O-CG1 3.25Å; A722-I726 PolarHBondContact O-N 3.26Å; Q723-I726 PolarHBondContact O-N 3.16Å; I726-K728 VanDerWaalsContact C-N 3.3Å; I726-K728 PolarHBondContact O-N 3.05Å; I726-L729 PolarHBondContact O-N 2.98Å; I726-L730 HydrophobicContact CG2-CD1 3.74Å; I726-L730 HydrophobicContact CG2-CG 4.44Å; I726-L730 WeakPolarHBondContact O-CB 3.49Å; I726-L730 PolarHBondContact O-N 3.23Å; I726-L741 HydrophobicContact CG1-CD1 4.49Å; I726-L741 HydrophobicContact CG2-CD1 4.43Å; I726-L741 HydrophobicContact CG2-CD2 4.39Å; I726-L745 HydrophobicContact CD1-CD2 3.88Å; I726-L745 HydrophobicContact CG1-CD1 4.1Å; I726-L745 HydrophobicContact CG1-CD2 3.64Å; I726-L745 HydrophobicContact CG1-CG 4.46Å; I726-I760 HydrophobicContact CD1-CG2 4.43Å; I726-V763 HydrophobicContact CD1-CB 4.26Å; I726-V763 HydrophobicContact CD1-CG1 3.6Å; I726-L764 HydrophobicContact CD1-CD2 4.37Å; I726-L764 HydrophobicContact CD1-CG 4.14Å; I726-L764 HydrophobicContact CG2-CD2 3.95Å; I726-L767 HydrophobicContact CB-CD1 3.84Å; I726-L767 HydrophobicContact CD1-CD1 4.39Å; I726-L767 HydrophobicContact CG2-CD1 3.5Å
727	I	95	Very high	94	Very high	32 Å²	32	62 Å²	62	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-44.8	177.1	-70.1	169.7	0	0	0	110.2	Q723 E724 L730 K731 L767 Y785	Q723-I727 WeakPolarHBondContact O-CB 3.04Å; Q723-I727 VanDerWaalsContact O-CG1 3.31Å; Q723-I727 WeakPolarHBondContact O-CG1 3.32Å; Q723-I727 PolarHBondContact O-N 2.85Å; E724-I727 PolarHBondContact O-N 2.92Å; I727-L730 PolarHBondContact O-N 3.21Å; I727-K731 HydrophobicContact CG2-CD 3.84Å; I727-K731 HydrophobicContact CG2-CG 4.24Å; I727-K731 VanDerWaalsContact O-CB 3.3Å; I727-K731 WeakPolarHBondContact O-CB 3.2Å; I727-K731 VanDerWaalsContact O-CG 3.26Å; I727-K731 WeakPolarHBondContact O-CG 3.41Å; I727-K731 PolarHBondContact O-N 3.48Å; I727-L767 HydrophobicContact CD1-CD2 3.69Å; I727-L767 HydrophobicContact CG1-CD1 4.29Å; I727-L767 HydrophobicContact CG1-CD2 3.81Å; I727-Y785 HydrophobicContact CG2-CE2 4.33Å
728	K	94.7	Very high	94.2	Very high	125 Å²	125	62 Å²	62	54%	0.543	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-47.8	179.3	-174	178.7	179.7	-179.2	0	111.6	E724 G725 I726 K731 T732	E724-K728 VanDerWaalsContact O-CB 3.28Å; E724-K728 WeakPolarHBondContact O-CB 3.38Å; E724-K728 PolarHBondContact O-N 3.23Å; G725-K728 PolarHBondContact O-N 3.29Å; I726-K728 VanDerWaalsContact C-N 3.3Å; I726-K728 PolarHBondContact O-N 3.05Å; K728-K731 PolarHBondContact O-N 3.37Å; K728-T732 PolarHBondContact O-N 3.14Å; K728-T732 VanDerWaalsContact O-N 3.13Å; K728-T732 PolarHBondContact O-OG1 3.05Å; K728-T732 VanDerWaalsContact O-OG1 3.13Å
729	L	95.8	Very high	94.2	Very high	21 Å²	21	66.1 Å²	66.1	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-47.3	178.4	-70.9	172.3	0	0	0	111.7	G725 I726 T732 R733 L736 L741 E744 L745	G725-L729 WeakPolarHBondContact O-CG 3.22Å; G725-L729 PolarHBondContact O-N 2.91Å; I726-L729 PolarHBondContact O-N 2.98Å; L729-T732 PolarHBondContact O-N 3.07Å; L729-R733 PolarHBondContact O-N 2.97Å; L729-L736 HydrophobicContact CB-CD1 4.14Å; L729-L741 HydrophobicContact CB-CD1 4.11Å; L729-L741 HydrophobicContact CD1-CD1 3.97Å; L729-E744 HydrophobicContact CD1-CB 3.94Å; L729-E744 HydrophobicContact CD2-CB 3.93Å; L729-L745 HydrophobicContact CD1-CB 3.96Å; L729-L745 HydrophobicContact CD1-CD1 4.29Å
730	L	94.6	Very high	94.4	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.8	-33.2	-180	-73	172.8	0	0	0	112.8	I726 I727 T732 K734 L736 L741 V773 F783 Y785	I726-L730 HydrophobicContact CG2-CD1 3.74Å; I726-L730 HydrophobicContact CG2-CG 4.44Å; I726-L730 WeakPolarHBondContact O-CB 3.49Å; I726-L730 PolarHBondContact O-N 3.23Å; I727-L730 PolarHBondContact O-N 3.21Å; L730-T732 VanDerWaalsContact C-N 3.31Å; L730-T732 PolarHBondContact O-N 3.45Å; L730-K734 WeakPolarHBondContact O-CA 3.28Å; L730-K734 PolarHBondContact O-N 3.17Å; L730-L736 HydrophobicContact CD2-CB 4.03Å; L730-L736 HydrophobicContact CD2-CD1 4.15Å; L730-L741 HydrophobicContact CG-CD1 4.45Å; L730-V773 HydrophobicContact CD1-CB 4.16Å; L730-V773 HydrophobicContact CD1-CG1 3.62Å; L730-V773 HydrophobicContact CD1-CG2 3.37Å; L730-F783 HydrophobicContact CD1-CB 4.32Å; L730-F783 HydrophobicContact CD2-CB 4.12Å; L730-Y785 HydrophobicContact CB-CD2 4.25Å
731	K	94.2	Very high	94.5	Very high	117 Å²	117	64.5 Å²	64.5	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-40.9	170.7	-81.5	179.1	175.5	178.5	0	111.8	I727 K728 Y785	I727-K731 HydrophobicContact CG2-CD 3.84Å; I727-K731 HydrophobicContact CG2-CG 4.24Å; I727-K731 VanDerWaalsContact O-CB 3.3Å; I727-K731 WeakPolarHBondContact O-CB 3.2Å; I727-K731 VanDerWaalsContact O-CG 3.26Å; I727-K731 WeakPolarHBondContact O-CG 3.41Å; I727-K731 PolarHBondContact O-N 3.48Å; K728-K731 PolarHBondContact O-N 3.37Å; K731-Y785 HydrophobicContact CD-CE2 4.18Å; K731-Y785 VanDerWaalsContact CE-CZ 3.46Å; K731-Y785 WeakPolarHBondContact CE-OH 3.46Å; K731-Y785 HydrophobicContact CG-CD1 4.45Å; K731-Y785 HydrophobicContact CG-CD2 3.82Å; K731-Y785 HydrophobicContact CG-CE1 4.12Å; K731-Y785 HydrophobicContact CG-CE2 3.42Å; K731-Y785 VanDerWaalsContact CG-CE2 3.42Å; K731-Y785 HydrophobicContact CG-CG 4.33Å
732	T	94.1	Very high	94.5	Very high	110 Å²	110	64.8 Å²	64.8	68%	0.675	30%	0.296	S	S	*	.	H	α-helix	trans	-75	-47.1	-179.2	-57	0	0	0	0	112.4	K728 L729 L730	K728-T732 PolarHBondContact O-N 3.14Å; K728-T732 VanDerWaalsContact O-N 3.13Å; K728-T732 PolarHBondContact O-OG1 3.05Å; K728-T732 VanDerWaalsContact O-OG1 3.13Å; L729-T732 PolarHBondContact O-N 3.07Å; L730-T732 VanDerWaalsContact C-N 3.31Å; L730-T732 PolarHBondContact O-N 3.45Å
733	R	93.6	Very high	94.4	Very high	141 Å²	141	70.2 Å²	70.2	53%	0.532	32%	0.322	S	S	.	.	H	α-helix	trans	-88.8	-18.9	-174.9	-59.8	-62	-168.6	135.9	10.1	114.1	L729 R735 L736 E744	L729-R733 PolarHBondContact O-N 2.97Å; R733-R735 PolarHBondContact O-N 3.25Å; R733-L736 HydrophobicContact CB-CD1 3.7Å; R733-L736 HydrophobicContact CB-CG 3.77Å; R733-L736 HydrophobicContact CG-CD1 3.68Å; R733-L736 HydrophobicContact CG-CD2 4.34Å; R733-L736 HydrophobicContact CG-CG 3.97Å; R733-E744 IonicContact CZ-OE1 3.32Å; R733-E744 IonicContact CZ-OE2 2.66Å; R733-E744 IonicContact NE-OE1 2.77Å; R733-E744 IonicContact NE-OE2 2.71Å; R733-E744 VanDerWaalsContact NH2-CD 3.29Å; R733-E744 IonicContact NH2-OE1 3.84Å; R733-E744 PolarHBondContact NH2-OE1 3.42Å; R733-E744 IonicContact NH2-OE2 4Å; R733-E744 PolarHBondContact NH2-OE2 2.98Å
734	K	92.4	Very high	94.4	Very high	154 Å²	154	71.2 Å²	71.2	67%	0.67	33%	0.326	S	S	*	.	S	Bend	trans	62.2	-37.2	-171	-58	-171.2	177.4	-175.4	0	115.7	L730 V784 Y785	L730-K734 WeakPolarHBondContact O-CA 3.28Å; L730-K734 PolarHBondContact O-N 3.17Å; K734-V784 WeakPolarHBondContact O-CA 3.24Å; K734-Y785 PolarHBondContact O-N 3.01Å
735	R	93.6	Very high	94.5	Very high	135 Å²	135	66.2 Å²	66.2	51%	0.509	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	129	-178.3	-171.8	175.2	-166.7	-136.9	-0.6	109.1	R733 D776 V782 F783 V784	R733-R735 PolarHBondContact O-N 3.25Å; R735-D776 IonicContact CZ-OD2 3.13Å; R735-D776 IonicContact NE-OD2 2.72Å; R735-D776 PolarHBondContact NE-OD2 2.88Å; R735-D776 IonicContact NH2-OD1 3.89Å; R735-D776 PolarHBondContact NH2-OD1 3.46Å; R735-D776 IonicContact NH2-OD2 3.71Å; R735-D776 PolarHBondContact NH2-OD2 3.14Å; R735-V782 HydrophobicContact CG-CG1 3.37Å; R735-F783 WeakPolarHBondContact CA-O 3.33Å; R735-V784 HydrophobicContact CG-CG2 4.19Å
736	L	94.7	Very high	94.5	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.4	-179.4	-94.1	157.2	0	0	0	110.4	L729 L730 R733 E740 L741 F783	L729-L736 HydrophobicContact CB-CD1 4.14Å; L730-L736 HydrophobicContact CD2-CB 4.03Å; L730-L736 HydrophobicContact CD2-CD1 4.15Å; R733-L736 HydrophobicContact CB-CD1 3.7Å; R733-L736 HydrophobicContact CB-CG 3.77Å; R733-L736 HydrophobicContact CG-CD1 3.68Å; R733-L736 HydrophobicContact CG-CD2 4.34Å; R733-L736 HydrophobicContact CG-CG 3.97Å; L736-E740 HydrophobicContact CD2-CB 3.58Å; L736-L741 HydrophobicContact CB-CB 4.32Å; L736-L741 HydrophobicContact CD1-CD1 4.05Å; L736-F783 PolarHBondContact N-O 3.23Å; L736-F783 PolarHBondContact O-N 3.47Å
737	H	95.7	Very high	94.3	Very high	56 Å²	56	70.9 Å²	70.9	26%	0.259	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	150.5	169.6	-176.1	-92.7	0	0	0	110.7	N739 E740 L741 N781	H737-N739 VanDerWaalsContact C-N 3.28Å; H737-N739 PolarHBondContact ND1-N 3.02Å; H737-N739 PolarHBondContact O-N 3Å; H737-E740 HydrophobicContact CB-CG 4.27Å; H737-E740 WeakPolarHBondContact CB-OE2 3.4Å; H737-E740 PolarHBondContact N-OE2 2.98Å; H737-E740 VanDerWaalsContact N-OE2 3.12Å; H737-E740 PolarHBondContact O-N 3.1Å; H737-L741 PolarHBondContact O-N 2.73Å; H737-N781 CarbonylContact C-O 3.45Å
738	H	93.2	Very high	94.2	Very high	63 Å²	63	72.5 Å²	72.5	29%	0.292	34%	0.336	S	S	.	.	H	α-helix	trans	-51.3	-44.3	-176.2	-177.1	70	0	0	0	113.3	Y742 N781 F783	H738-Y742 WeakPolarHBondContact O-CB 3.4Å; H738-Y742 PolarHBondContact O-N 2.99Å; H738-N781 PolarHBondContact N-O 3.22Å; H738-F783 HydrophobicContact CB-CE2 3.88Å; H738-F783 AromaticContact ND1-CE2 3.61Å
739	N	93.4	Very high	94.2	Very high	104 Å²	104	66.9 Å²	66.9	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-66.9	-39.2	179.9	-67.6	-17	0	0	0	112.4	H737 Y742 Q743	H737-N739 VanDerWaalsContact C-N 3.28Å; H737-N739 PolarHBondContact ND1-N 3.02Å; H737-N739 PolarHBondContact O-N 3Å; N739-Y742 PolarHBondContact O-N 3.33Å; N739-Q743 WeakPolarHBondContact O-CG 3.15Å; N739-Q743 PolarHBondContact O-N 3.2Å
740	E	94.8	Very high	93.9	Very high	107 Å²	107	71.3 Å²	71.3	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-68.9	-45.4	178	-60.9	174.8	135	0	0	110.3	L736 H737 Y742 Q743 E744	L736-E740 HydrophobicContact CD2-CB 3.58Å; H737-E740 HydrophobicContact CB-CG 4.27Å; H737-E740 WeakPolarHBondContact CB-OE2 3.4Å; H737-E740 PolarHBondContact N-OE2 2.98Å; H737-E740 VanDerWaalsContact N-OE2 3.12Å; H737-E740 PolarHBondContact O-N 3.1Å; E740-Y742 VanDerWaalsContact C-N 3.28Å; E740-Y742 PolarHBondContact O-N 2.97Å; E740-Q743 PolarHBondContact O-N 2.63Å; E740-E744 WeakPolarHBondContact O-CB 3.47Å; E740-E744 PolarHBondContact O-N 3.26Å
741	L	94.7	Very high	93.7	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-57.4	-43.8	174.6	-179.7	69.8	0	0	0	111	I726 L729 L730 L736 H737 L745 L764 F783	I726-L741 HydrophobicContact CG1-CD1 4.49Å; I726-L741 HydrophobicContact CG2-CD1 4.43Å; I726-L741 HydrophobicContact CG2-CD2 4.39Å; L729-L741 HydrophobicContact CB-CD1 4.11Å; L729-L741 HydrophobicContact CD1-CD1 3.97Å; L730-L741 HydrophobicContact CG-CD1 4.45Å; L736-L741 HydrophobicContact CB-CB 4.32Å; L736-L741 HydrophobicContact CD1-CD1 4.05Å; H737-L741 PolarHBondContact O-N 2.73Å; L741-L745 WeakPolarHBondContact O-CB 3.38Å; L741-L745 PolarHBondContact O-N 2.99Å; L741-L764 HydrophobicContact CD2-CD1 4.05Å; L741-L764 HydrophobicContact CD2-CD2 3.83Å; L741-L764 HydrophobicContact CD2-CG 4.42Å; L741-F783 HydrophobicContact CD2-CD2 4.11Å
742	Y	93.8	Very high	93.6	Very high	49 Å²	49	71.2 Å²	71.2	19%	0.192	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-50.4	177.8	179.2	-87.7	0	0	0	111.6	H738 N739 E740 L745 V746 K757 I760	H738-Y742 WeakPolarHBondContact O-CB 3.4Å; H738-Y742 PolarHBondContact O-N 2.99Å; N739-Y742 PolarHBondContact O-N 3.33Å; E740-Y742 VanDerWaalsContact C-N 3.28Å; E740-Y742 PolarHBondContact O-N 2.97Å; Y742-L745 PolarHBondContact O-N 3.31Å; Y742-V746 HydrophobicContact CD1-CG2 4.23Å; Y742-V746 HydrophobicContact CE1-CG2 3.83Å; Y742-V746 HydrophobicContact CE2-CG2 4.37Å; Y742-V746 VanDerWaalsContact O-CG2 3.29Å; Y742-V746 WeakPolarHBondContact O-CG2 3.35Å; Y742-V746 PolarHBondContact O-N 3Å; Y742-K757 HydrophobicContact CD2-CG 4.41Å; Y742-K757 HydrophobicContact CE2-CB 4.49Å; Y742-K757 HydrophobicContact CE2-CG 3.56Å; Y742-I760 HydrophobicContact CD2-CD1 3.39Å; Y742-I760 HydrophobicContact CE2-CD1 3.53Å; Y742-I760 HydrophobicContact CG-CD1 4.43Å
743	Q	94.5	Very high	93.6	Very high	113 Å²	113	66.1 Å²	66.1	53%	0.528	30%	0.296	S	S	.	.	H	α-helix	trans	-63.7	-49.3	-179.2	-67.8	-62.8	-24.2	0	0	111.5	N739 E740 L745 V746 D747	N739-Q743 WeakPolarHBondContact O-CG 3.15Å; N739-Q743 PolarHBondContact O-N 3.2Å; E740-Q743 PolarHBondContact O-N 2.63Å; Q743-L745 VanDerWaalsContact C-N 3.29Å; Q743-L745 PolarHBondContact O-N 2.97Å; Q743-V746 PolarHBondContact O-N 3.2Å; Q743-D747 PolarHBondContact O-N 3.01Å
744	E	95.4	Very high	93.4	Very high	53 Å²	53	61.9 Å²	61.9	25%	0.248	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-35.2	179.3	-70.8	-166.6	-137.9	0	0	112.1	L729 R733 E740 L748	L729-E744 HydrophobicContact CD1-CB 3.94Å; L729-E744 HydrophobicContact CD2-CB 3.93Å; R733-E744 IonicContact CZ-OE1 3.32Å; R733-E744 IonicContact CZ-OE2 2.66Å; R733-E744 IonicContact NE-OE1 2.77Å; R733-E744 IonicContact NE-OE2 2.71Å; R733-E744 VanDerWaalsContact NH2-CD 3.29Å; R733-E744 IonicContact NH2-OE1 3.84Å; R733-E744 PolarHBondContact NH2-OE1 3.42Å; R733-E744 IonicContact NH2-OE2 4Å; R733-E744 PolarHBondContact NH2-OE2 2.98Å; E740-E744 WeakPolarHBondContact O-CB 3.47Å; E740-E744 PolarHBondContact O-N 3.26Å; E744-L748 WeakPolarHBondContact O-CB 3.47Å; E744-L748 PolarHBondContact O-N 3.02Å
745	L	95.6	Very high	93.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70.7	-41.5	177	-176.3	66.2	0	0	0	112.3	I726 L729 L741 Y742 Q743 D747 L748 L749 I760	I726-L745 HydrophobicContact CD1-CD2 3.88Å; I726-L745 HydrophobicContact CG1-CD1 4.1Å; I726-L745 HydrophobicContact CG1-CD2 3.64Å; I726-L745 HydrophobicContact CG1-CG 4.46Å; L729-L745 HydrophobicContact CD1-CB 3.96Å; L729-L745 HydrophobicContact CD1-CD1 4.29Å; L741-L745 WeakPolarHBondContact O-CB 3.38Å; L741-L745 PolarHBondContact O-N 2.99Å; Y742-L745 PolarHBondContact O-N 3.31Å; Q743-L745 VanDerWaalsContact C-N 3.29Å; Q743-L745 PolarHBondContact O-N 2.97Å; L745-D747 VanDerWaalsContact C-N 3.31Å; L745-L748 PolarHBondContact O-N 3.5Å; L745-L749 HydrophobicContact CD1-CD1 3.72Å; L745-L749 HydrophobicContact CD1-CG 4.12Å; L745-L749 HydrophobicContact CG-CD1 3.99Å; L745-L749 WeakPolarHBondContact O-CB 3.39Å; L745-L749 WeakPolarHBondContact O-CG 3.35Å; L745-L749 PolarHBondContact O-N 3.45Å; L745-I760 HydrophobicContact CD2-CD1 3.89Å; L745-I760 HydrophobicContact CD2-CG1 3.72Å; L745-I760 HydrophobicContact CD2-CG2 4.21Å
746	V	94.4	Very high	93.1	Very high	22 Å²	22	49.1 Å²	49.1	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-45.3	174.2	169	0	0	0	0	109.7	Y742 Q743 L748 L749 R750 V754 P755	Y742-V746 HydrophobicContact CD1-CG2 4.23Å; Y742-V746 HydrophobicContact CE1-CG2 3.83Å; Y742-V746 HydrophobicContact CE2-CG2 4.37Å; Y742-V746 VanDerWaalsContact O-CG2 3.29Å; Y742-V746 WeakPolarHBondContact O-CG2 3.35Å; Y742-V746 PolarHBondContact O-N 3Å; Q743-V746 PolarHBondContact O-N 3.2Å; V746-L748 VanDerWaalsContact C-N 3.33Å; V746-L748 PolarHBondContact O-N 3.41Å; V746-L749 PolarHBondContact O-N 2.94Å; V746-R750 WeakPolarHBondContact O-CB 3.2Å; V746-R750 PolarHBondContact O-N 3.09Å; V746-V754 HydrophobicContact CG1-CG1 4.41Å; V746-P755 HydrophobicContact CG2-CG 3.89Å
747	D	92.8	Very high	92.8	Very high	79 Å²	79	56.3 Å²	56.3	42%	0.422	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-36.5	178.2	-82.7	-29.4	0	0	0	113.5	Q743 L745 R750	Q743-D747 PolarHBondContact O-N 3.01Å; L745-D747 VanDerWaalsContact C-N 3.31Å; D747-R750 WeakPolarHBondContact O-CG 3.5Å; D747-R750 IonicContact OD1-CZ 2.75Å; D747-R750 IonicContact OD1-NH1 3.16Å; D747-R750 PolarHBondContact OD1-NH1 3.11Å
748	L	92.9	Very high	92.5	Very high	67 Å²	67	59 Å²	59	35%	0.351	28%	0.275	S	S	.	.	H	α-helix	trans	-66.7	-38.7	175.1	-176.8	65.8	0	0	0	112.1	E744 L745 V746	E744-L748 WeakPolarHBondContact O-CB 3.47Å; E744-L748 PolarHBondContact O-N 3.02Å; L745-L748 PolarHBondContact O-N 3.5Å; V746-L748 VanDerWaalsContact C-N 3.33Å; V746-L748 PolarHBondContact O-N 3.41Å
749	L	93.8	Very high	92.3	Very high	6 Å²	6	57 Å²	57	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-97.6	-12.6	-171.5	-63.9	-179.1	0	0	0	114.7	R721 A722 L745 V746 F751 Q752 F753 P755	R721-L749 HydrophobicContact CB-CD2 4.22Å; A722-L749 HydrophobicContact CB-CD1 4.47Å; L745-L749 HydrophobicContact CD1-CD1 3.72Å; L745-L749 HydrophobicContact CD1-CG 4.12Å; L745-L749 HydrophobicContact CG-CD1 3.99Å; L745-L749 WeakPolarHBondContact O-CB 3.39Å; L745-L749 WeakPolarHBondContact O-CG 3.35Å; L745-L749 PolarHBondContact O-N 3.45Å; V746-L749 PolarHBondContact O-N 2.94Å; L749-F751 PolarHBondContact O-N 3.17Å; L749-Q752 WeakPolarHBondContact O-CA 3.49Å; L749-Q752 WeakPolarHBondContact O-CB 3.31Å; L749-Q752 PolarHBondContact O-N 2.85Å; L749-F753 CarbonylContact C-O 3.56Å; L749-F753 VanDerWaalsContact C-O 3.23Å; L749-F753 HydrophobicContact CD1-CE1 4.29Å; L749-F753 HydrophobicContact CD1-CE2 4.49Å; L749-F753 HydrophobicContact CD1-CZ 3.86Å; L749-F753 PolarHBondContact O-N 3.08Å; L749-P755 HydrophobicContact CB-CG 4.49Å; L749-P755 HydrophobicContact CD1-CB 4.38Å; L749-P755 HydrophobicContact CD1-CG 4.18Å
750	R	90.8	Very high	92.2	Very high	115 Å²	115	52.1 Å²	52.1	43%	0.434	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.1	-174.4	70.3	-173.5	-178.4	-156.4	3.7	116.3	K442 V746 D747 Q752	K442-R750 PolarHBondContact NZ-O 3.23Å; V746-R750 WeakPolarHBondContact O-CB 3.2Å; V746-R750 PolarHBondContact O-N 3.09Å; D747-R750 WeakPolarHBondContact O-CG 3.5Å; D747-R750 IonicContact OD1-CZ 2.75Å; D747-R750 IonicContact OD1-NH1 3.16Å; D747-R750 PolarHBondContact OD1-NH1 3.11Å; R750-Q752 VanDerWaalsContact C-N 3.32Å
751	F	89.6	Confident	92	Very high	81 Å²	81	53 Å²	53	36%	0.355	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.7	175.8	-64	-74.5	0	0	0	113.5	K442 G479 L749	K442-F751 WeakPolarHBondContact CD-O 2.99Å; G479-F751 VanDerWaalsContact O-CB 3.3Å; G479-F751 WeakPolarHBondContact O-CB 3.33Å; L749-F751 PolarHBondContact O-N 3.17Å
752	Q	91.9	Very high	91.8	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.154	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-61.6	174.2	-65.2	-177.4	44.6	0	0	110.3	K442 D443 P481 L749 R750	K442-Q752 CarbonylContact C-O 3.58Å; K442-Q752 WeakPolarHBondContact CA-O 3.16Å; K442-Q752 WeakPolarHBondContact CB-O 3.47Å; K442-Q752 PolarHBondContact N-O 3.39Å; D443-Q752 PolarHBondContact N-O 2.67Å; P481-Q752 HydrophobicContact CB-CG 4.49Å; P481-Q752 HydrophobicContact CG-CG 3.28Å; L749-Q752 WeakPolarHBondContact O-CA 3.49Å; L749-Q752 WeakPolarHBondContact O-CB 3.31Å; L749-Q752 PolarHBondContact O-N 2.85Å; R750-Q752 VanDerWaalsContact C-N 3.32Å
753	F	93.3	Very high	91.8	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.018	25%	0.249	C	C	.	.			trans	-158.2	158.1	-179.8	67.7	-79.7	0	0	0	110	N440 R718 R721 L749 P755 L759	N440-F753 WeakPolarHBondContact O-CA 3.36Å; R718-F753 HydrophobicContact CB-CD2 4.42Å; R718-F753 HydrophobicContact CB-CE1 4.01Å; R718-F753 HydrophobicContact CB-CE2 3.85Å; R718-F753 HydrophobicContact CB-CZ 3.63Å; R718-F753 HydrophobicContact CG-CD1 3.76Å; R718-F753 HydrophobicContact CG-CD2 3.88Å; R718-F753 HydrophobicContact CG-CE1 3.72Å; R718-F753 HydrophobicContact CG-CE2 3.81Å; R718-F753 HydrophobicContact CG-CG 3.86Å; R718-F753 HydrophobicContact CG-CZ 3.74Å; R718-F753 WeakPolarHBondContact O-CZ 2.77Å; R721-F753 HydrophobicContact CB-CE1 4.09Å; R721-F753 HydrophobicContact CB-CZ 4.48Å; L749-F753 CarbonylContact C-O 3.56Å; L749-F753 VanDerWaalsContact C-O 3.23Å; L749-F753 HydrophobicContact CD1-CE1 4.29Å; L749-F753 HydrophobicContact CD1-CE2 4.49Å; L749-F753 HydrophobicContact CD1-CZ 3.86Å; L749-F753 PolarHBondContact O-N 3.08Å; F753-P755 HydrophobicContact CD2-CB 4.37Å; F753-P755 HydrophobicContact CE2-CB 3.77Å; F753-P755 WeakPolarHBondContact O-CD 3.49Å; F753-L759 HydrophobicContact CE2-CD2 3.69Å; F753-L759 HydrophobicContact CZ-CD2 4.24Å
754	V	91.3	Very high	91.7	Very high	51 Å²	51	48.7 Å²	48.7	31%	0.309	23%	0.225	S	C	.	.			trans	-89.5	110.4	170.7	-179.6	0	0	0	0	108.7	N440 V746	N440-V754 HydrophobicContact CB-CB 4.3Å; N440-V754 HydrophobicContact CB-CG2 3.87Å; N440-V754 PolarHBondContact O-N 3.22Å; V746-V754 HydrophobicContact CG1-CG1 4.41Å
755	P	90.8	Very high	91.6	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	23%	0.234	C	C	.	.			trans	-66.7	137.7	-177	28.1	-35.6	0	0	0	111.1	V746 L749 F753 L759 I760	V746-P755 HydrophobicContact CG2-CG 3.89Å; L749-P755 HydrophobicContact CB-CG 4.49Å; L749-P755 HydrophobicContact CD1-CB 4.38Å; L749-P755 HydrophobicContact CD1-CG 4.18Å; F753-P755 HydrophobicContact CD2-CB 4.37Å; F753-P755 HydrophobicContact CE2-CB 3.77Å; F753-P755 WeakPolarHBondContact O-CD 3.49Å; P755-L759 HydrophobicContact CB-CD2 4.27Å; P755-I760 HydrophobicContact CB-CD1 4.02Å; P755-I760 HydrophobicContact CB-CG1 4.02Å; P755-I760 HydrophobicContact CG-CD1 4.05Å
756	S	88.2	Confident	91.5	Very high	20 Å²	20	55.4 Å²	55.4	14%	0.14	25%	0.252	C	S	.	.			trans	-78.1	150.6	176.2	75.2	0	0	0	0	111.6	R394 R758 L759 I760	R394-S756 VanDerWaalsContact NH2-CB 3.3Å; S756-R758 PolarHBondContact O-N 3.14Å; S756-R758 VanDerWaalsContact O-N 3.15Å; S756-L759 PolarHBondContact O-N 3.01Å; S756-L759 VanDerWaalsContact O-N 3.1Å; S756-L759 WeakPolarHBondContact OG-CB 3.34Å; S756-L759 PolarHBondContact OG-N 3.02Å; S756-I760 WeakPolarHBondContact O-CG1 3.46Å; S756-I760 PolarHBondContact O-N 3.14Å
757	K	88.4	Confident	91.6	Very high	157 Å²	157	54.4 Å²	54.4	68%	0.683	25%	0.246	S	C	*	.	H	α-helix	trans	-52	-37.5	172.4	-68.1	-176.8	178.7	-175.4	0	112.4	Y742 K761	Y742-K757 HydrophobicContact CD2-CG 4.41Å; Y742-K757 HydrophobicContact CE2-CB 4.49Å; Y742-K757 HydrophobicContact CE2-CG 3.56Å; K757-K761 WeakPolarHBondContact O-CB 3.41Å; K757-K761 PolarHBondContact O-N 3.38Å; K757-K761 VanDerWaalsContact O-N 3.09Å
758	R	88.1	Confident	91.6	Very high	111 Å²	111	52.9 Å²	52.9	42%	0.419	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-49.9	177.1	-179.3	176.5	170.4	-178	-6.3	112	S756 I760 K761 E762	S756-R758 PolarHBondContact O-N 3.14Å; S756-R758 VanDerWaalsContact O-N 3.15Å; R758-I760 VanDerWaalsContact C-N 3.3Å; R758-I760 PolarHBondContact O-N 3.18Å; R758-K761 PolarHBondContact O-N 3.17Å; R758-E762 HydrophobicContact CG-CG 4.46Å; R758-E762 WeakPolarHBondContact CG-OE1 3.39Å; R758-E762 IonicContact CZ-OE1 3.1Å; R758-E762 IonicContact NE-OE1 2.87Å; R758-E762 PolarHBondContact NE-OE1 3.18Å; R758-E762 IonicContact NH2-OE1 3.84Å; R758-E762 PolarHBondContact NH2-OE1 3.02Å; R758-E762 WeakPolarHBondContact O-CG 2.86Å; R758-E762 PolarHBondContact O-N 2.79Å
759	L	89.1	Confident	91.7	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-57	-45.2	177.7	175.4	66.9	0	0	0	111.3	R718 Q719 A722 F753 P755 S756 K761 E762 V763	R718-L759 HydrophobicContact CB-CD2 4.24Å; Q719-L759 HydrophobicContact CB-CD1 4.43Å; Q719-L759 HydrophobicContact CG-CD1 3.58Å; A722-L759 HydrophobicContact CB-CD2 4.3Å; A722-L759 HydrophobicContact CB-CG 4.39Å; F753-L759 HydrophobicContact CE2-CD2 3.69Å; F753-L759 HydrophobicContact CZ-CD2 4.24Å; P755-L759 HydrophobicContact CB-CD2 4.27Å; S756-L759 PolarHBondContact O-N 3.01Å; S756-L759 VanDerWaalsContact O-N 3.1Å; S756-L759 WeakPolarHBondContact OG-CB 3.34Å; S756-L759 PolarHBondContact OG-N 3.02Å; L759-K761 VanDerWaalsContact C-N 3.32Å; L759-K761 PolarHBondContact O-N 3.41Å; L759-E762 PolarHBondContact O-N 3.35Å; L759-V763 HydrophobicContact CD1-CG2 4.1Å; L759-V763 HydrophobicContact CG-CG2 4.45Å; L759-V763 WeakPolarHBondContact O-CB 3.12Å; L759-V763 VanDerWaalsContact O-CG2 3.25Å; L759-V763 WeakPolarHBondContact O-CG2 3.23Å; L759-V763 PolarHBondContact O-N 3.37Å
760	I	91.3	Very high	91.7	Very high	2 Å²	2	59 Å²	59	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-41.7	-179.8	-63.5	170.7	0	0	0	110.6	I726 Y742 L745 P755 S756 R758 L764	I726-I760 HydrophobicContact CD1-CG2 4.43Å; Y742-I760 HydrophobicContact CD2-CD1 3.39Å; Y742-I760 HydrophobicContact CE2-CD1 3.53Å; Y742-I760 HydrophobicContact CG-CD1 4.43Å; L745-I760 HydrophobicContact CD2-CD1 3.89Å; L745-I760 HydrophobicContact CD2-CG1 3.72Å; L745-I760 HydrophobicContact CD2-CG2 4.21Å; P755-I760 HydrophobicContact CB-CD1 4.02Å; P755-I760 HydrophobicContact CB-CG1 4.02Å; P755-I760 HydrophobicContact CG-CD1 4.05Å; S756-I760 WeakPolarHBondContact O-CG1 3.46Å; S756-I760 PolarHBondContact O-N 3.14Å; R758-I760 VanDerWaalsContact C-N 3.3Å; R758-I760 PolarHBondContact O-N 3.18Å; I760-L764 HydrophobicContact CG2-CD1 3.91Å; I760-L764 HydrophobicContact CG2-CG 4.47Å; I760-L764 WeakPolarHBondContact O-CB 3.1Å; I760-L764 WeakPolarHBondContact O-CG 3.42Å; I760-L764 PolarHBondContact O-N 3.39Å
761	K	90.7	Very high	91.7	Very high	126 Å²	126	61 Å²	61	55%	0.548	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-49.8	176.7	-175.8	179.5	172.6	-177.6	0	111.9	K757 R758 L759 V763 L764 E765	K757-K761 WeakPolarHBondContact O-CB 3.41Å; K757-K761 PolarHBondContact O-N 3.38Å; K757-K761 VanDerWaalsContact O-N 3.09Å; R758-K761 PolarHBondContact O-N 3.17Å; L759-K761 VanDerWaalsContact C-N 3.32Å; L759-K761 PolarHBondContact O-N 3.41Å; K761-V763 VanDerWaalsContact C-N 3.3Å; K761-V763 PolarHBondContact O-N 2.93Å; K761-L764 PolarHBondContact O-N 3.15Å; K761-E765 WeakPolarHBondContact CE-OE1 3.46Å; K761-E765 IonicContact NZ-OE1 3.75Å; K761-E765 WeakPolarHBondContact O-CG 3.19Å; K761-E765 PolarHBondContact O-N 3.37Å
762	E	91.8	Very high	91.8	Very high	61 Å²	61	62.3 Å²	62.3	29%	0.285	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-42.6	178.4	-71.8	172.7	-179.4	0	0	111.3	R758 L759 W766	R758-E762 HydrophobicContact CG-CG 4.46Å; R758-E762 WeakPolarHBondContact CG-OE1 3.39Å; R758-E762 IonicContact CZ-OE1 3.1Å; R758-E762 IonicContact NE-OE1 2.87Å; R758-E762 PolarHBondContact NE-OE1 3.18Å; R758-E762 IonicContact NH2-OE1 3.84Å; R758-E762 PolarHBondContact NH2-OE1 3.02Å; R758-E762 WeakPolarHBondContact O-CG 2.86Å; R758-E762 PolarHBondContact O-N 2.79Å; L759-E762 PolarHBondContact O-N 3.35Å; E762-W766 WeakPolarHBondContact O-CB 3.49Å; E762-W766 PolarHBondContact O-N 3Å
763	V	93.5	Very high	91.9	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-41.3	177.3	169.4	0	0	0	0	112	A722 Q723 I726 L759 K761 W766 L767	A722-V763 HydrophobicContact CB-CG1 4.35Å; A722-V763 HydrophobicContact CB-CG2 3.98Å; Q723-V763 HydrophobicContact CB-CG1 4.16Å; Q723-V763 HydrophobicContact CG-CB 4.48Å; Q723-V763 HydrophobicContact CG-CG1 3.51Å; Q723-V763 HydrophobicContact CG-CG2 4.28Å; I726-V763 HydrophobicContact CD1-CB 4.26Å; I726-V763 HydrophobicContact CD1-CG1 3.6Å; L759-V763 HydrophobicContact CD1-CG2 4.1Å; L759-V763 HydrophobicContact CG-CG2 4.45Å; L759-V763 WeakPolarHBondContact O-CB 3.12Å; L759-V763 VanDerWaalsContact O-CG2 3.25Å; L759-V763 WeakPolarHBondContact O-CG2 3.23Å; L759-V763 PolarHBondContact O-N 3.37Å; K761-V763 VanDerWaalsContact C-N 3.3Å; K761-V763 PolarHBondContact O-N 2.93Å; V763-W766 PolarHBondContact O-N 3.37Å; V763-L767 HydrophobicContact CG1-CD1 3.91Å; V763-L767 HydrophobicContact CG1-CG 4.28Å; V763-L767 WeakPolarHBondContact O-CB 3.22Å; V763-L767 VanDerWaalsContact O-CG 3.27Å; V763-L767 WeakPolarHBondContact O-CG 3.45Å; V763-L767 PolarHBondContact O-N 2.83Å
764	L	93.1	Very high	91.8	Very high	6 Å²	6	67.1 Å²	67.1	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-43.8	176.4	-83.2	168.4	0	0	0	111.9	I726 L741 I760 K761 W766 L767 I768 F783	I726-L764 HydrophobicContact CD1-CD2 4.37Å; I726-L764 HydrophobicContact CD1-CG 4.14Å; I726-L764 HydrophobicContact CG2-CD2 3.95Å; L741-L764 HydrophobicContact CD2-CD1 4.05Å; L741-L764 HydrophobicContact CD2-CD2 3.83Å; L741-L764 HydrophobicContact CD2-CG 4.42Å; I760-L764 HydrophobicContact CG2-CD1 3.91Å; I760-L764 HydrophobicContact CG2-CG 4.47Å; I760-L764 WeakPolarHBondContact O-CB 3.1Å; I760-L764 WeakPolarHBondContact O-CG 3.42Å; I760-L764 PolarHBondContact O-N 3.39Å; K761-L764 PolarHBondContact O-N 3.15Å; L764-W766 VanDerWaalsContact C-N 3.32Å; L764-W766 PolarHBondContact O-N 2.98Å; L764-L767 PolarHBondContact O-N 2.62Å; L764-I768 WeakPolarHBondContact O-CD1 3.48Å; L764-I768 VanDerWaalsContact O-CG1 3.24Å; L764-I768 WeakPolarHBondContact O-CG1 3.35Å; L764-I768 PolarHBondContact O-N 2.74Å; L764-F783 HydrophobicContact CD1-CE1 4.33Å; L764-F783 HydrophobicContact CD1-CE2 4.03Å; L764-F783 HydrophobicContact CD1-CZ 3.88Å; L764-F783 HydrophobicContact CD2-CD1 4.1Å; L764-F783 HydrophobicContact CD2-CE1 4.21Å; L764-F783 HydrophobicContact CD2-CG 4.28Å; L764-F783 HydrophobicContact CD2-CZ 4.49Å
765	E	92.5	Very high	91.9	Very high	92 Å²	92	69.2 Å²	69.2	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-44.8	175.8	-74.1	171.3	-178.2	0	0	110.8	K761 I768 D769	K761-E765 WeakPolarHBondContact CE-OE1 3.46Å; K761-E765 IonicContact NZ-OE1 3.75Å; K761-E765 WeakPolarHBondContact O-CG 3.19Å; K761-E765 PolarHBondContact O-N 3.37Å; E765-I768 PolarHBondContact O-N 3.34Å; E765-D769 PolarHBondContact O-N 3.24Å
766	W	94.3	Very high	92	Very high	103 Å²	103	70.2 Å²	70.2	39%	0.39	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-42.3	175.4	-174.3	90.3	0	0	0	112.8	Q723 E762 V763 L764 I768 D769 K770	Q723-W766 HydrophobicContact CG-CE3 4.19Å; Q723-W766 HydrophobicContact CG-CZ3 4.24Å; E762-W766 WeakPolarHBondContact O-CB 3.49Å; E762-W766 PolarHBondContact O-N 3Å; V763-W766 PolarHBondContact O-N 3.37Å; L764-W766 VanDerWaalsContact C-N 3.32Å; L764-W766 PolarHBondContact O-N 2.98Å; W766-I768 VanDerWaalsContact C-N 3.28Å; W766-I768 PolarHBondContact O-N 3.45Å; W766-D769 PolarHBondContact O-N 2.95Å; W766-K770 HydrophobicContact CD2-CG 3.98Å; W766-K770 HydrophobicContact CE3-CG 4.14Å; W766-K770 HydrophobicContact CH2-CG 3.89Å; W766-K770 HydrophobicContact CZ2-CD 4.39Å; W766-K770 HydrophobicContact CZ2-CG 3.71Å; W766-K770 HydrophobicContact CZ3-CG 4.09Å; W766-K770 WeakPolarHBondContact O-CG 3.36Å; W766-K770 PolarHBondContact O-N 3.29Å
767	L	94.7	Very high	92	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-30.5	177.8	-73.7	172.9	0	0	0	112.9	I726 I727 V763 L764 H771 Y772 V773	I726-L767 HydrophobicContact CB-CD1 3.84Å; I726-L767 HydrophobicContact CD1-CD1 4.39Å; I726-L767 HydrophobicContact CG2-CD1 3.5Å; I727-L767 HydrophobicContact CD1-CD2 3.69Å; I727-L767 HydrophobicContact CG1-CD1 4.29Å; I727-L767 HydrophobicContact CG1-CD2 3.81Å; V763-L767 HydrophobicContact CG1-CD1 3.91Å; V763-L767 HydrophobicContact CG1-CG 4.28Å; V763-L767 WeakPolarHBondContact O-CB 3.22Å; V763-L767 VanDerWaalsContact O-CG 3.27Å; V763-L767 WeakPolarHBondContact O-CG 3.45Å; V763-L767 PolarHBondContact O-N 2.83Å; L764-L767 PolarHBondContact O-N 2.62Å; L767-H771 PolarHBondContact O-N 2.83Å; L767-Y772 HydrophobicContact CD2-CD2 3.95Å; L767-Y772 HydrophobicContact CD2-CG 4.34Å; L767-Y772 PolarHBondContact O-N 2.92Å; L767-V773 HydrophobicContact CB-CB 4.23Å; L767-V773 HydrophobicContact CB-CG2 3.92Å; L767-V773 HydrophobicContact CD1-CG2 4.26Å; L767-V773 PolarHBondContact O-N 2.97Å
768	I	93.6	Very high	92.1	Very high	47 Å²	47	76 Å²	76	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-71.1	-45.3	173.6	-68.6	163.4	0	0	0	110.7	L764 E765 W766 K770 H771 V773 R775 F783	L764-I768 WeakPolarHBondContact O-CD1 3.48Å; L764-I768 VanDerWaalsContact O-CG1 3.24Å; L764-I768 WeakPolarHBondContact O-CG1 3.35Å; L764-I768 PolarHBondContact O-N 2.74Å; E765-I768 PolarHBondContact O-N 3.34Å; W766-I768 VanDerWaalsContact C-N 3.28Å; W766-I768 PolarHBondContact O-N 3.45Å; I768-K770 VanDerWaalsContact C-N 3.26Å; I768-K770 PolarHBondContact O-N 3.32Å; I768-H771 PolarHBondContact O-N 3.13Å; I768-V773 WeakPolarHBondContact CA-O 3.49Å; I768-V773 HydrophobicContact CG1-CB 4.31Å; I768-V773 HydrophobicContact CG1-CG1 4.34Å; I768-R775 HydrophobicContact CD1-CG 4.13Å; I768-F783 HydrophobicContact CD1-CD1 4.35Å; I768-F783 HydrophobicContact CD1-CE1 4.07Å
769	D	94.1	Very high	92.3	Very high	103 Å²	103	73.5 Å²	73.5	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-58.4	-38.9	175	-178	67.3	0	0	0	111.8	E765 W766 H771	E765-D769 PolarHBondContact O-N 3.24Å; W766-D769 PolarHBondContact O-N 2.95Å; D769-H771 PolarHBondContact O-N 2.86Å
770	K	93.8	Very high	92.3	Very high	99 Å²	99	78 Å²	78	43%	0.43	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	6.2	175.1	-61.6	-51.3	179.3	-151.8	0	115	W766 I768 Y772	W766-K770 HydrophobicContact CD2-CG 3.98Å; W766-K770 HydrophobicContact CE3-CG 4.14Å; W766-K770 HydrophobicContact CH2-CG 3.89Å; W766-K770 HydrophobicContact CZ2-CD 4.39Å; W766-K770 HydrophobicContact CZ2-CG 3.71Å; W766-K770 HydrophobicContact CZ3-CG 4.09Å; W766-K770 WeakPolarHBondContact O-CG 3.36Å; W766-K770 PolarHBondContact O-N 3.29Å; I768-K770 VanDerWaalsContact C-N 3.26Å; I768-K770 PolarHBondContact O-N 3.32Å; K770-Y772 HydrophobicContact CB-CD2 3.55Å; K770-Y772 HydrophobicContact CB-CE2 3.71Å; K770-Y772 PolarHBondContact O-N 3.46Å; K770-Y772 VanDerWaalsContact O-N 3.11Å
771	H	91.5	Very high	92.4	Very high	157 Å²	157	82.2 Å²	82.2	73%	0.727	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	15.6	179.7	-55.3	-54.6	0	0	0	116	L767 I768 D769 V773	L767-H771 PolarHBondContact O-N 2.83Å; I768-H771 PolarHBondContact O-N 3.13Å; D769-H771 PolarHBondContact O-N 2.86Å; H771-V773 VanDerWaalsContact C-N 3.32Å
772	Y	91.6	Very high	92.5	Very high	109 Å²	109	76.8 Å²	76.8	43%	0.427	36%	0.361	S	S	.	.	S	Bend	trans	-75.2	-25.1	172.6	-69.9	-63.9	0	0	0	112.6	L767 K770 G786	L767-Y772 HydrophobicContact CD2-CD2 3.95Å; L767-Y772 HydrophobicContact CD2-CG 4.34Å; L767-Y772 PolarHBondContact O-N 2.92Å; K770-Y772 HydrophobicContact CB-CD2 3.55Å; K770-Y772 HydrophobicContact CB-CE2 3.71Å; K770-Y772 PolarHBondContact O-N 3.46Å; K770-Y772 VanDerWaalsContact O-N 3.11Å; Y772-G786 WeakPolarHBondContact O-CA 2.99Å; Y772-G786 PolarHBondContact O-N 3.24Å
773	V	93.3	Very high	92.7	Very high	3 Å²	3	74.4 Å²	74.4	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.5	-178.5	179.4	0	0	0	0	108.2	L730 L767 I768 H771 F783 V784	L730-V773 HydrophobicContact CD1-CB 4.16Å; L730-V773 HydrophobicContact CD1-CG1 3.62Å; L730-V773 HydrophobicContact CD1-CG2 3.37Å; L767-V773 HydrophobicContact CB-CB 4.23Å; L767-V773 HydrophobicContact CB-CG2 3.92Å; L767-V773 HydrophobicContact CD1-CG2 4.26Å; L767-V773 PolarHBondContact O-N 2.97Å; I768-V773 WeakPolarHBondContact CA-O 3.49Å; I768-V773 HydrophobicContact CG1-CB 4.31Å; I768-V773 HydrophobicContact CG1-CG1 4.34Å; H771-V773 VanDerWaalsContact C-N 3.32Å; V773-F783 HydrophobicContact CG1-CB 3.91Å; V773-F783 HydrophobicContact CG1-CD1 4.09Å; V773-F783 HydrophobicContact CG1-CG 4.42Å; V773-V784 WeakPolarHBondContact CA-O 3.49Å
774	R	93.1	Very high	92.7	Very high	134 Å²	134	75 Å²	75	51%	0.506	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.6	172.7	64.4	-171.7	180	111.8	-4	110.1	V784	R774-V784 HydrophobicContact CG-CB 3.88Å; R774-V784 HydrophobicContact CG-CG1 4.46Å; R774-V784 PolarHBondContact N-O 3.43Å; R774-V784 PolarHBondContact O-N 3.44Å
775	R	93.1	Very high	92.7	Very high	96 Å²	96	77.4 Å²	77.4	36%	0.362	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.8	168.5	-66.5	-173.4	-175.1	-174.9	2.8	109.5	I768 M780 V782 F783	I768-R775 HydrophobicContact CD1-CG 4.13Å; R775-M780 HydrophobicContact CB-SD 4.14Å; R775-M780 VanDerWaalsContact NH1-CE 3.25Å; R775-V782 WeakPolarHBondContact CA-O 3.42Å; R775-F783 HydrophobicContact CG-CD1 4.28Å; R775-F783 HydrophobicContact CG-CE1 4.12Å
776	D	92.5	Very high	92.1	Very high	22 Å²	22	73.5 Å²	73.5	12%	0.118	35%	0.347	C	S	.	.			trans	-66.3	144.6	172.5	-166.1	-82.3	0	0	0	110.1	R735 N778 D779 V782 V784	R735-D776 IonicContact CZ-OD2 3.13Å; R735-D776 IonicContact NE-OD2 2.72Å; R735-D776 PolarHBondContact NE-OD2 2.88Å; R735-D776 IonicContact NH2-OD1 3.89Å; R735-D776 PolarHBondContact NH2-OD1 3.46Å; R735-D776 IonicContact NH2-OD2 3.71Å; R735-D776 PolarHBondContact NH2-OD2 3.14Å; D776-N778 PolarHBondContact O-N 3.45Å; D776-N778 WeakPolarHBondContact OD1-CB 3.32Å; D776-N778 PolarHBondContact OD1-N 3.27Å; D776-D779 WeakPolarHBondContact CB-O 3.42Å; D776-V782 HydrophobicContact CB-CB 3.76Å; D776-V782 HydrophobicContact CB-CG1 3.9Å; D776-V782 PolarHBondContact N-O 3.42Å; D776-V784 HydrophobicContact CB-CG2 4.17Å
777	N	89	Confident	90.7	Very high	147 Å²	147	77.9 Å²	77.9	79%	0.786	39%	0.385	S	S	*	.	S	Bend	trans	-69.2	-25.4	-177.8	-66.4	-11.1	0	0	0	112.3
778	N	90.4	Very high	90.5	Very high	152 Å²	152	81.8 Å²	81.8	81%	0.813	40%	0.404	S	S	*	.	S	Bend	trans	-97.6	-27.7	-176.5	-61.4	-20.4	0	0	0	112.3	D776	D776-N778 PolarHBondContact O-N 3.45Å; D776-N778 WeakPolarHBondContact OD1-CB 3.32Å; D776-N778 PolarHBondContact OD1-N 3.27Å
779	D	91.6	Very high	90.3	Very high	59 Å²	59	83.6 Å²	83.6	32%	0.316	41%	0.413	S	S	.	.			trans	-140.1	114.5	-178.2	-172.6	-6.8	0	0	0	112.1	D776 N781 V782	D776-D779 WeakPolarHBondContact CB-O 3.42Å; D779-N781 PolarHBondContact O-N 2.82Å; D779-N781 WeakPolarHBondContact OD1-CB 3.38Å; D779-N781 PolarHBondContact OD1-N 3Å; D779-V782 HydrophobicContact CB-CB 4.26Å; D779-V782 HydrophobicContact CB-CG2 3.87Å; D779-V782 PolarHBondContact O-N 3.47Å; D779-V782 WeakPolarHBondContact OD2-CG2 3.24Å
780	M	89.3	Confident	90.1	Very high	116 Å²	116	82.5 Å²	82.5	57%	0.571	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17	179.8	-70.4	-69.7	-92.3	0	0	113.9	R775 V782	R775-M780 HydrophobicContact CB-SD 4.14Å; R775-M780 VanDerWaalsContact NH1-CE 3.25Å; M780-V782 VanDerWaalsContact C-N 3.32Å
781	N	92.7	Very high	89.9	Confident	89 Å²	89	81.5 Å²	81.5	48%	0.476	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3	175.1	-64.2	-42.5	0	0	0	112.9	H737 H738 D779	H737-N781 CarbonylContact C-O 3.45Å; H738-N781 PolarHBondContact N-O 3.22Å; D779-N781 PolarHBondContact O-N 2.82Å; D779-N781 WeakPolarHBondContact OD1-CB 3.38Å; D779-N781 PolarHBondContact OD1-N 3Å
782	V	94	Very high	89.8	Confident	13 Å²	13	76.8 Å²	76.8	8%	0.079	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.6	177.5	178.3	0	0	0	0	109.8	R735 R775 D776 D779 M780	R735-V782 HydrophobicContact CG-CG1 3.37Å; R775-V782 WeakPolarHBondContact CA-O 3.42Å; D776-V782 HydrophobicContact CB-CB 3.76Å; D776-V782 HydrophobicContact CB-CG1 3.9Å; D776-V782 PolarHBondContact N-O 3.42Å; D779-V782 HydrophobicContact CB-CB 4.26Å; D779-V782 HydrophobicContact CB-CG2 3.87Å; D779-V782 PolarHBondContact O-N 3.47Å; D779-V782 WeakPolarHBondContact OD2-CG2 3.24Å; M780-V782 VanDerWaalsContact C-N 3.32Å
783	F	94.6	Very high	89.7	Confident	11 Å²	11	74.7 Å²	74.7	5%	0.048	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.9	177.7	-59.2	-79.2	0	0	0	110	L730 R735 L736 H738 L741 L764 I768 V773 R775	L730-F783 HydrophobicContact CD1-CB 4.32Å; L730-F783 HydrophobicContact CD2-CB 4.12Å; R735-F783 WeakPolarHBondContact CA-O 3.33Å; L736-F783 PolarHBondContact N-O 3.23Å; L736-F783 PolarHBondContact O-N 3.47Å; H738-F783 HydrophobicContact CB-CE2 3.88Å; H738-F783 AromaticContact ND1-CE2 3.61Å; L741-F783 HydrophobicContact CD2-CD2 4.11Å; L764-F783 HydrophobicContact CD1-CE1 4.33Å; L764-F783 HydrophobicContact CD1-CE2 4.03Å; L764-F783 HydrophobicContact CD1-CZ 3.88Å; L764-F783 HydrophobicContact CD2-CD1 4.1Å; L764-F783 HydrophobicContact CD2-CE1 4.21Å; L764-F783 HydrophobicContact CD2-CG 4.28Å; L764-F783 HydrophobicContact CD2-CZ 4.49Å; I768-F783 HydrophobicContact CD1-CD1 4.35Å; I768-F783 HydrophobicContact CD1-CE1 4.07Å; V773-F783 HydrophobicContact CG1-CB 3.91Å; V773-F783 HydrophobicContact CG1-CD1 4.09Å; V773-F783 HydrophobicContact CG1-CG 4.42Å; R775-F783 HydrophobicContact CG-CD1 4.28Å; R775-F783 HydrophobicContact CG-CE1 4.12Å
784	V	93.5	Very high	89.4	Confident	18 Å²	18	79.8 Å²	79.8	11%	0.109	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.2	-179.4	-173.7	0	0	0	0	108.7	K734 R735 V773 R774 D776 G786	K734-V784 WeakPolarHBondContact O-CA 3.24Å; R735-V784 HydrophobicContact CG-CG2 4.19Å; V773-V784 WeakPolarHBondContact CA-O 3.49Å; R774-V784 HydrophobicContact CG-CB 3.88Å; R774-V784 HydrophobicContact CG-CG1 4.46Å; R774-V784 PolarHBondContact N-O 3.43Å; R774-V784 PolarHBondContact O-N 3.44Å; D776-V784 HydrophobicContact CB-CG2 4.17Å; V784-G786 PolarHBondContact O-N 2.74Å
785	Y	93.3	Very high	89.2	Confident	56 Å²	56	75.6 Å²	75.6	22%	0.22	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.4	174.3	-175.7	-107.5	0	0	0	110.9	I727 L730 K731 K734	I727-Y785 HydrophobicContact CG2-CE2 4.33Å; L730-Y785 HydrophobicContact CB-CD2 4.25Å; K731-Y785 HydrophobicContact CD-CE2 4.18Å; K731-Y785 VanDerWaalsContact CE-CZ 3.46Å; K731-Y785 WeakPolarHBondContact CE-OH 3.46Å; K731-Y785 HydrophobicContact CG-CD1 4.45Å; K731-Y785 HydrophobicContact CG-CD2 3.82Å; K731-Y785 HydrophobicContact CG-CE1 4.12Å; K731-Y785 HydrophobicContact CG-CE2 3.42Å; K731-Y785 VanDerWaalsContact CG-CE2 3.42Å; K731-Y785 HydrophobicContact CG-CG 4.33Å; K734-Y785 PolarHBondContact O-N 3.01Å
786	G	80.7	Confident	88.8	Confident	9 Å²	9	73.9 Å²	73.9	9%	0.093	40%	0.402	C	S	.	.			trans	-83.4	123.4	171.7	0	0	0	0	0	109.6	Y772 V784	Y772-G786 WeakPolarHBondContact O-CA 2.99Å; Y772-G786 PolarHBondContact O-N 3.24Å; V784-G786 PolarHBondContact O-N 2.74Å
787	T	64.5	Low	88.5	Confident	195 Å²	195	78.6 Å²	78.6	100%	1.196	43%	0.428	S	S	*	.			trans	-74.7	0	178.5	44.2	0	0	0	0	112.3

Retrieved 787 of 787 residues in 385.4 ms (Link to these results)

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