A0A087XLV0_POEFO Loading...

Phosphatidylinositol 3-kinase, catalytic subunit type 3

AlphaFold DB , UniProt , Accession A0A087XLV0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 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	37.6	Very low	71.1	Confident	242 Å²	242	111.1 Å²	111.1	100%	1.192	55%	0.547	S	S	*	.				0	84.2	0	-72.3	-174.1	-173.3	0	0	106.2	T3	M1-T3 PolarHBondContact O-N 3.49Å
2	D	43.8	Very low	72.4	Confident	165 Å²	165	105.2 Å²	105.2	88%	0.882	52%	0.524	S	S	*	.			trans	-69.9	127.1	172.5	-73	-44.9	0	0	0	107.7	D4	D2-D4 PolarHBondContact O-N 3.33Å; D2-D4 VanDerWaalsContact O-N 3.17Å
3	T	49.1	Very low	73.6	Confident	116 Å²	116	105.6 Å²	105.6	71%	0.712	53%	0.53	S	S	*	.			trans	-67.5	111.6	176.8	28.2	0	0	0	0	107.7	M1 K5	M1-T3 PolarHBondContact O-N 3.49Å; T3-K5 PolarHBondContact O-N 3.07Å
4	D	61.1	Low	74.5	Confident	150 Å²	150	99.9 Å²	99.9	80%	0.802	50%	0.501	S	S	*	.			trans	-60.6	96.4	174.2	-111.1	-11.9	0	0	0	108.7	D2 F6	D2-D4 PolarHBondContact O-N 3.33Å; D2-D4 VanDerWaalsContact O-N 3.17Å; D4-F6 PolarHBondContact O-N 3.47Å
5	K	72.6	Confident	75.5	Confident	165 Å²	165	100.7 Å²	100.7	72%	0.717	51%	0.508	S	S	*	.			trans	-84.4	112.7	178.5	-72.1	-179.6	-177.3	-179.7	0	108.9	T3 N7	T3-K5 PolarHBondContact O-N 3.07Å; K5-N7 PolarHBondContact O-N 3.26Å
6	F	78.6	Confident	76.5	Confident	115 Å²	115	100 Å²	100	50%	0.504	51%	0.505	S	S	.	.			trans	-81.1	112.1	172.4	-179	-108.8	0	0	0	110.3	D4 Y8 M134 V233	D4-F6 PolarHBondContact O-N 3.47Å; F6-Y8 AromaticContact CD1-CD1 3.8Å; F6-Y8 HydrophobicContact CD1-CD1 3.8Å; F6-Y8 HydrophobicContact CD1-CG 4.42Å; F6-Y8 AromaticContact CE1-CD1 3.93Å; F6-Y8 HydrophobicContact CE1-CD1 3.93Å; F6-Y8 HydrophobicContact CE1-CG 4.11Å; F6-M134 HydrophobicContact CE2-CE 3.86Å; F6-M134 HydrophobicContact CZ-CE 3.54Å; F6-V233 HydrophobicContact CE1-CG2 4.4Å
7	N	84.8	Confident	77.4	Confident	50 Å²	50	96.3 Å²	96.3	27%	0.267	49%	0.487	S	S	.	.			trans	-92.6	125.9	177.5	-54.9	-55.4	0	0	0	109.8	K5 Y230 S231	K5-N7 PolarHBondContact O-N 3.26Å; N7-Y230 HydrophobicContact CB-CD1 3.65Å; N7-Y230 HydrophobicContact CB-CE1 3.75Å; N7-Y230 HydrophobicContact CB-CG 4.09Å; N7-S231 PolarHBondContact O-N 3.26Å
8	Y	86.8	Confident	78.3	Confident	107 Å²	107	91 Å²	91	42%	0.42	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.6	179.1	67.9	-88.1	0	0	0	112.9	F6 Y10 S231 V233	F6-Y8 AromaticContact CD1-CD1 3.8Å; F6-Y8 HydrophobicContact CD1-CD1 3.8Å; F6-Y8 HydrophobicContact CD1-CG 4.42Å; F6-Y8 AromaticContact CE1-CD1 3.93Å; F6-Y8 HydrophobicContact CE1-CD1 3.93Å; F6-Y8 HydrophobicContact CE1-CG 4.11Å; Y8-Y10 HydrophobicContact CD2-CD1 4.4Å; Y8-Y10 HydrophobicContact CD2-CE1 4.16Å; Y8-Y10 HydrophobicContact CE2-CD1 4.25Å; Y8-Y10 HydrophobicContact CE2-CD2 4.47Å; Y8-Y10 AromaticContact CE2-CE1 3.65Å; Y8-Y10 HydrophobicContact CE2-CE1 3.65Å; Y8-Y10 AromaticContact CE2-CE2 3.87Å; Y8-Y10 HydrophobicContact CE2-CE2 3.87Å; Y8-Y10 AromaticContact CE2-CZ 3.45Å; Y8-Y10 VanDerWaalsContact CE2-CZ 3.45Å; Y8-Y10 PolarHBondContact OH-OH 2.94Å; Y8-S231 CarbonylContact C-O 3.37Å; Y8-S231 WeakPolarHBondContact CA-O 3.45Å; Y8-S231 WeakPolarHBondContact CB-O 3.38Å; Y8-V233 HydrophobicContact CD2-CG2 4.38Å; Y8-V233 HydrophobicContact CG-CG2 4.29Å
9	V	89.6	Confident	79.1	Confident	37 Å²	37	90.5 Å²	90.5	22%	0.224	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.8	172.5	-179.2	0	0	0	0	107.9	L14 Y230 S231 I232 V233	V9-L14 HydrophobicContact CG1-CD1 4.01Å; V9-L14 HydrophobicContact CG1-CD2 3.9Å; V9-L14 HydrophobicContact CG1-CG 3.75Å; V9-Y230 HydrophobicContact CG2-CD1 3.77Å; V9-Y230 HydrophobicContact CG2-CG 4.16Å; V9-S231 PolarHBondContact N-O 3.02Å; V9-I232 CarbonylContact O-C 3.51Å; V9-I232 WeakPolarHBondContact O-CA 3.48Å; V9-V233 PolarHBondContact O-N 3.17Å
10	Y	89.6	Confident	79.8	Confident	73 Å²	73	86 Å²	86	29%	0.286	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.5	178.3	-66.7	-58	0	0	0	112.2	Y8 C12 D13 V233 Y235	Y8-Y10 HydrophobicContact CD2-CD1 4.4Å; Y8-Y10 HydrophobicContact CD2-CE1 4.16Å; Y8-Y10 HydrophobicContact CE2-CD1 4.25Å; Y8-Y10 HydrophobicContact CE2-CD2 4.47Å; Y8-Y10 AromaticContact CE2-CE1 3.65Å; Y8-Y10 HydrophobicContact CE2-CE1 3.65Å; Y8-Y10 AromaticContact CE2-CE2 3.87Å; Y8-Y10 HydrophobicContact CE2-CE2 3.87Å; Y8-Y10 AromaticContact CE2-CZ 3.45Å; Y8-Y10 VanDerWaalsContact CE2-CZ 3.45Å; Y8-Y10 PolarHBondContact OH-OH 2.94Å; Y10-C12 VanDerWaalsContact C-N 3.27Å; Y10-C12 PolarHBondContact O-N 3.41Å; Y10-D13 PolarHBondContact O-N 2.99Å; Y10-V233 CarbonylContact C-O 3.47Å; Y10-V233 WeakPolarHBondContact CA-O 3.47Å; Y10-Y235 HydrophobicContact CD1-CD1 4.23Å; Y10-Y235 AromaticContact CD1-CG 3.8Å; Y10-Y235 HydrophobicContact CD1-CG 3.8Å; Y10-Y235 HydrophobicContact CD2-CD1 4.45Å; Y10-Y235 HydrophobicContact CE1-CD2 4.34Å; Y10-Y235 HydrophobicContact CE1-CG 4Å; Y10-Y235 HydrophobicContact CG-CD1 4.15Å; Y10-Y235 HydrophobicContact CG-CG 4.19Å
11	S	88.4	Confident	80.6	Confident	2 Å²	2	83.4 Å²	83.4	1%	0.014	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-60.1	-35.8	177	53.2	0	0	0	0	112.7	D13 L14 Y96 P97 V233 Y234 Y235	S11-D13 VanDerWaalsContact C-N 3.27Å; S11-D13 PolarHBondContact O-N 2.88Å; S11-L14 PolarHBondContact O-N 2.7Å; S11-Y96 CarbonylContact O-C 3.52Å; S11-P97 WeakPolarHBondContact O-CG 3.49Å; S11-V233 PolarHBondContact N-O 3.28Å; S11-Y234 WeakPolarHBondContact OG-CA 3.3Å; S11-Y235 PolarHBondContact OG-N 3Å; S11-Y235 VanDerWaalsContact OG-N 3.07Å; S11-Y235 PolarHBondContact OG-O 2.96Å
12	C	87.4	Confident	83.3	Confident	40 Å²	40	71.9 Å²	71.9	27%	0.27	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.7	179	62.9	0	0	0	0	114.1	Y10	Y10-C12 VanDerWaalsContact C-N 3.27Å; Y10-C12 PolarHBondContact O-N 3.41Å
13	D	87.6	Confident	85.5	Confident	111 Å²	111	64 Å²	64	59%	0.594	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-89.4	-5.5	-175.3	-62	-22.6	0	0	0	112.5	Y10 S11	Y10-D13 PolarHBondContact O-N 2.99Å; S11-D13 VanDerWaalsContact C-N 3.27Å; S11-D13 PolarHBondContact O-N 2.88Å
14	L	86.7	Confident	87.5	Confident	25 Å²	25	59.6 Å²	59.6	13%	0.131	29%	0.294	C	S	.	.			trans	-101.5	84	-175.2	-73.1	172.7	0	0	0	111.8	V9 S11 I16 Y96 P97 I232	V9-L14 HydrophobicContact CG1-CD1 4.01Å; V9-L14 HydrophobicContact CG1-CD2 3.9Å; V9-L14 HydrophobicContact CG1-CG 3.75Å; S11-L14 PolarHBondContact O-N 2.7Å; L14-I16 HydrophobicContact CB-CG1 4.42Å; L14-I16 PolarHBondContact O-N 3.19Å; L14-Y96 HydrophobicContact CB-CD2 4.25Å; L14-Y96 HydrophobicContact CB-CG 4.28Å; L14-Y96 HydrophobicContact CD1-CG 4.5Å; L14-P97 VanDerWaalsContact O-CD 3.24Å; L14-P97 WeakPolarHBondContact O-CD 3.48Å; L14-I232 HydrophobicContact CD1-CB 4.4Å; L14-I232 HydrophobicContact CD1-CD1 3.82Å; L14-I232 HydrophobicContact CD1-CG1 3.78Å; L14-I232 HydrophobicContact CD1-CG2 3.81Å
15	D	89.5	Confident	88.9	Confident	112 Å²	112	52.7 Å²	52.7	60%	0.599	26%	0.257	S	S	*	.			trans	-75.2	53.4	177.7	-167.5	30	0	0	0	113.9	K95	D15-K95 VanDerWaalsContact OD1-CD 3.29Å; D15-K95 WeakPolarHBondContact OD1-CD 3.3Å; D15-K95 WeakPolarHBondContact OD1-CE 3.48Å; D15-K95 IonicContact OD1-NZ 3.35Å; D15-K95 PolarHBondContact OD1-NZ 3.38Å; D15-K95 IonicContact OD2-NZ 3.93Å
16	I	90.8	Very high	89.5	Confident	90 Å²	90	47.7 Å²	47.7	46%	0.462	24%	0.236	S	C	.	.	S	Bend	trans	-130.8	151.8	179.3	62.6	175.6	0	0	0	110.4	L14 K95 Y96	L14-I16 HydrophobicContact CB-CG1 4.42Å; L14-I16 PolarHBondContact O-N 3.19Å; I16-K95 WeakPolarHBondContact O-CA 3.37Å; I16-Y96 HydrophobicContact CD1-CD2 4.18Å; I16-Y96 HydrophobicContact CD1-CE2 3.85Å; I16-Y96 HydrophobicContact CG1-CD2 3.54Å; I16-Y96 HydrophobicContact CG1-CE2 3.63Å; I16-Y96 VanDerWaalsContact O-CD2 3.28Å; I16-Y96 WeakPolarHBondContact O-CD2 3.45Å; I16-Y96 PolarHBondContact O-N 2.98Å
17	N	92.4	Very high	89.5	Confident	37 Å²	37	43.2 Å²	43.2	20%	0.198	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.6	174.8	-68.7	52.4	0	0	0	111.2	Q19 R91 L92 V94	N17-Q19 PolarHBondContact O-N 2.65Å; N17-R91 HydrophobicContact CB-CG 3.82Å; N17-R91 PolarHBondContact OD1-NH2 2.96Å; N17-L92 WeakPolarHBondContact CB-O 3.28Å; N17-L92 PolarHBondContact ND2-O 2.46Å; N17-V94 WeakPolarHBondContact CA-O 3.42Å
18	V	92.6	Very high	89	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	134	172.1	-177	0	0	0	0	109	L92 V94 Y96 L99 F135	V18-L92 HydrophobicContact CB-CB 4.45Å; V18-L92 HydrophobicContact CB-CD1 4.32Å; V18-L92 HydrophobicContact CG1-CD1 4.02Å; V18-L92 PolarHBondContact O-N 3.44Å; V18-V94 PolarHBondContact N-O 2.87Å; V18-Y96 HydrophobicContact CG2-CD1 4.17Å; V18-Y96 HydrophobicContact CG2-CD2 4.33Å; V18-Y96 HydrophobicContact CG2-CE1 4.19Å; V18-Y96 HydrophobicContact CG2-CE2 4.34Å; V18-Y96 HydrophobicContact CG2-CG 4.24Å; V18-L99 HydrophobicContact CG2-CD1 3.5Å; V18-L99 VanDerWaalsContact CG2-CD1 3.5Å; V18-L99 HydrophobicContact CG2-CG 4.12Å; V18-F135 HydrophobicContact CG1-CZ 4.09Å
19	Q	93.7	Very high	88.4	Confident	82 Å²	82	45.5 Å²	45.5	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141	177	-66.3	-178.5	-25	0	0	109.4	N17 W89 L90 R91 P221	N17-Q19 PolarHBondContact O-N 2.65Å; Q19-W89 HydrophobicContact CB-CE3 3.94Å; Q19-W89 HydrophobicContact CB-CZ3 4.29Å; Q19-L90 CarbonylContact C-O 3.18Å; Q19-L90 VanDerWaalsContact CA-O 3.28Å; Q19-L90 WeakPolarHBondContact CA-O 3.45Å; Q19-R91 HydrophobicContact CG-CB 4.44Å; Q19-R91 HydrophobicContact CG-CG 4.38Å; Q19-P221 WeakPolarHBondContact O-CD 3.5Å; Q19-P221 VanDerWaalsContact O-CG 3.31Å; Q19-P221 WeakPolarHBondContact O-CG 3.38Å
20	L	94.1	Very high	87.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.8	174.9	-65.5	176.3	0	0	0	109.1	L90 L92 V105 F220	L20-L90 PolarHBondContact N-O 2.87Å; L20-L90 PolarHBondContact O-N 3.5Å; L20-L92 HydrophobicContact CD1-CD1 3.92Å; L20-L92 HydrophobicContact CG-CD1 4.27Å; L20-V105 HydrophobicContact CD1-CB 4.34Å; L20-V105 HydrophobicContact CD1-CG1 4.07Å; L20-V105 HydrophobicContact CD1-CG2 3.8Å; L20-F220 HydrophobicContact CD2-CD1 3.37Å; L20-F220 HydrophobicContact CD2-CE1 3.56Å; L20-F220 HydrophobicContact CD2-CG 3.95Å; L20-F220 HydrophobicContact CD2-CZ 4.27Å
21	K	95.3	Very high	86.4	Confident	31 Å²	31	55.2 Å²	55.2	14%	0.135	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.2	178.6	-164.5	-167.4	-176.7	-173.4	0	110.8	N87 E88 W89 V218 E219	K21-N87 WeakPolarHBondContact CE-OD1 3.49Å; K21-N87 PolarHBondContact NZ-OD1 2.72Å; K21-E88 CarbonylContact C-O 3.59Å; K21-E88 VanDerWaalsContact CA-O 3.28Å; K21-E88 WeakPolarHBondContact CA-O 3.3Å; K21-W89 HydrophobicContact CB-CD2 3.59Å; K21-W89 HydrophobicContact CB-CE3 3.67Å; K21-W89 HydrophobicContact CB-CG 4.18Å; K21-W89 HydrophobicContact CB-CH2 3.94Å; K21-W89 HydrophobicContact CB-CZ2 3.89Å; K21-W89 HydrophobicContact CB-CZ3 3.84Å; K21-W89 HydrophobicContact CD-CD2 4.31Å; K21-W89 HydrophobicContact CD-CZ2 3.9Å; K21-W89 HydrophobicContact CG-CD2 3.91Å; K21-W89 HydrophobicContact CG-CE3 4.47Å; K21-W89 HydrophobicContact CG-CG 4.05Å; K21-W89 HydrophobicContact CG-CZ2 4.31Å; K21-V218 WeakPolarHBondContact O-CA 3.18Å; K21-E219 HydrophobicContact CB-CB 3.95Å; K21-E219 HydrophobicContact CB-CG 4.3Å; K21-E219 HydrophobicContact CD-CB 4.16Å; K21-E219 HydrophobicContact CD-CG 4.23Å; K21-E219 WeakPolarHBondContact CD-OE2 3.46Å; K21-E219 PolarHBondContact N-O 2.82Å; K21-E219 IonicContact NZ-OE2 2.85Å; K21-E219 PolarHBondContact NZ-OE2 3.33Å; K21-E219 PolarHBondContact O-N 2.99Å
22	I	94.8	Very high	85.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.7	174.5	-51.7	-54	0	0	0	108.6	V58 T75 W86 N87 E88 L90 L107 L216 V218	I22-V58 HydrophobicContact CG2-CB 4.29Å; I22-V58 HydrophobicContact CG2-CG2 4.04Å; I22-T75 HydrophobicContact CB-CG2 4.17Å; I22-T75 HydrophobicContact CG1-CG2 4Å; I22-T75 HydrophobicContact CG2-CG2 4.27Å; I22-W86 HydrophobicContact CB-CB 4.42Å; I22-W86 HydrophobicContact CG2-CB 4.24Å; I22-W86 HydrophobicContact CG2-CD2 4.18Å; I22-W86 HydrophobicContact CG2-CE3 4.08Å; I22-W86 HydrophobicContact CG2-CG 4.27Å; I22-N87 VanDerWaalsContact O-CA 3.28Å; I22-N87 WeakPolarHBondContact O-CA 3.23Å; I22-N87 PolarHBondContact O-N 3.36Å; I22-E88 PolarHBondContact N-O 3.17Å; I22-E88 PolarHBondContact O-N 2.97Å; I22-E88 VanDerWaalsContact O-N 3.1Å; I22-L90 HydrophobicContact CD1-CD1 4.14Å; I22-L90 HydrophobicContact CG1-CD1 3.56Å; I22-L90 HydrophobicContact CG1-CG 3.96Å; I22-L107 HydrophobicContact CD1-CD2 3.41Å; I22-L107 VanDerWaalsContact CD1-CD2 3.41Å; I22-L216 HydrophobicContact CG2-CD1 4.13Å; I22-V218 HydrophobicContact CD1-CG2 4.39Å
23	G	91	Very high	84.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-122.8	-171.8	0	0	0	0	0	114	W86 M217	G23-W86 PolarHBondContact O-N 3.48Å; G23-M217 WeakPolarHBondContact CA-O 3.28Å; G23-M217 PolarHBondContact N-O 3.18Å
24	S	90.9	Very high	84	Confident	23 Å²	23	65.2 Å²	65.2	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	152.2	173.6	52.7	0	0	0	0	112	E26 W84 M217	S24-E26 PolarHBondContact OG-OE1 3.2Å; S24-W84 CarbonylContact C-O 3.47Å; S24-W84 WeakPolarHBondContact CA-O 3.31Å; S24-M217 PolarHBondContact O-N 3.24Å
25	L	89.3	Confident	83.4	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.1	164.3	178.2	74.5	0	0	0	107.9	L56 W84 W86 V109 V144 M214 Y215 L216	L25-L56 HydrophobicContact CD2-CD1 3.84Å; L25-W84 HydrophobicContact CB-CB 3.84Å; L25-W84 HydrophobicContact CB-CE3 4.36Å; L25-W84 HydrophobicContact CD2-CD2 4.22Å; L25-W84 HydrophobicContact CD2-CE3 4.02Å; L25-W84 HydrophobicContact CD2-CG 4.49Å; L25-W84 HydrophobicContact CG-CE3 4.17Å; L25-W84 PolarHBondContact N-O 2.95Å; L25-W86 HydrophobicContact CB-CH2 3.96Å; L25-W86 HydrophobicContact CB-CZ3 3.59Å; L25-W86 HydrophobicContact CD2-CH2 4.21Å; L25-V109 HydrophobicContact CD2-CG1 4.08Å; L25-V144 HydrophobicContact CD1-CG2 4.22Å; L25-M214 HydrophobicContact CD1-CB 3.97Å; L25-M214 HydrophobicContact CD1-SD 4.42Å; L25-M214 HydrophobicContact CD2-SD 4.13Å; L25-M214 HydrophobicContact CG-SD 4.44Å; L25-Y215 WeakPolarHBondContact CA-O 3.36Å; L25-L216 HydrophobicContact CB-CD1 4.24Å; L25-L216 HydrophobicContact CD1-CB 4.12Å; L25-L216 HydrophobicContact CD1-CD1 4.26Å
26	E	85.6	Confident	82.6	Confident	60 Å²	60	68.7 Å²	68.7	28%	0.28	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.8	-177.3	-75.1	160.7	-154.5	0	0	109.7	S24 K208 M214 Y215	S24-E26 PolarHBondContact OG-OE1 3.2Å; E26-K208 HydrophobicContact CB-CD 4.11Å; E26-K208 WeakPolarHBondContact OE2-CD 3.49Å; E26-K208 IonicContact OE2-NZ 3.18Å; E26-K208 PolarHBondContact OE2-NZ 3.48Å; E26-M214 CarbonylContact O-C 3.53Å; E26-M214 WeakPolarHBondContact O-CA 3.48Å; E26-Y215 PolarHBondContact N-O 3.32Å; E26-Y215 PolarHBondContact O-N 3.27Å
27	G	79.3	Confident	81.7	Confident	22 Å²	22	66.1 Å²	66.1	23%	0.227	32%	0.319	C	S	.	.	S	Bend	trans	136	171.5	179.8	0	0	0	0	0	112.1
28	K	73.2	Confident	80.7	Confident	148 Å²	148	69.9 Å²	69.9	64%	0.643	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-96.2	134.3	179.4	-69.6	176.6	-178.4	163.6	0	110.2	R209	K28-R209 PolarHBondContact NZ-O 3.31Å
29	R	74.6	Confident	79.9	Confident	57 Å²	57	73 Å²	73	22%	0.215	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-92.7	117	170.9	-161.7	168.6	173	-155.2	-9.5	108.5	Q31 L48 S54 D111 M214	R29-Q31 PolarHBondContact O-N 2.93Å; R29-L48 HydrophobicContact CB-CD2 4.39Å; R29-L48 VanDerWaalsContact CD-CD2 3.43Å; R29-L48 HydrophobicContact CG-CD2 3.56Å; R29-L48 VanDerWaalsContact CZ-CD2 3.42Å; R29-L48 VanDerWaalsContact CZ-CG 3.5Å; R29-S54 PolarHBondContact NH1-OG 3.19Å; R29-D111 IonicContact CZ-OD2 3.25Å; R29-D111 IonicContact NH1-OD2 2.83Å; R29-D111 PolarHBondContact NH1-OD2 3.41Å; R29-D111 IonicContact NH2-OD2 3.62Å; R29-D111 PolarHBondContact NH2-OD2 2.91Å; R29-M214 HydrophobicContact CB-CE 3.29Å; R29-M214 HydrophobicContact CG-CE 3.5Å
30	E	68.4	Low	78.9	Confident	182 Å²	182	71.5 Å²	71.5	85%	0.85	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-68.4	126	179.3	-155.7	176.1	-169.3	0	0	110
31	Q	68.8	Low	77.8	Confident	131 Å²	131	75.9 Å²	75.9	61%	0.612	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-74.7	133.3	176.8	-73.3	-178.2	-18.1	0	0	109.5	R29 L48	R29-Q31 PolarHBondContact O-N 2.93Å; Q31-L48 PolarHBondContact NE2-O 2.9Å
32	K	71.6	Confident	76.5	Confident	111 Å²	111	79 Å²	79	48%	0.483	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-66.5	144.8	178.5	-61.2	-161.5	-170.1	176.2	0	110.5	A36 L43 Y49	K32-A36 HydrophobicContact CB-CB 4.04Å; K32-A36 HydrophobicContact CD-CB 4.49Å; K32-L43 HydrophobicContact CD-CD1 4.26Å; K32-L43 HydrophobicContact CD-CD2 3.68Å; K32-L43 HydrophobicContact CG-CD2 4.41Å; K32-Y49 PolarHBondContact O-OH 3.39Å
33	S	71.9	Confident	75.3	Confident	79 Å²	79	79.2 Å²	79.2	55%	0.552	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-60.6	154.9	-178.3	69.5	0	0	0	0	112.3	K35 A36 L37	S33-K35 PolarHBondContact O-N 2.91Å; S33-K35 VanDerWaalsContact O-N 3.1Å; S33-A36 WeakPolarHBondContact O-CB 3.45Å; S33-A36 PolarHBondContact O-N 3.15Å; S33-L37 PolarHBondContact O-N 2.93Å
34	Y	69.4	Low	74	Confident	174 Å²	174	88 Å²	88	68%	0.682	44%	0.444	S	S	*	.	H	α-helix	trans	-55.5	-31.2	178.7	-172.4	-104.5	0	0	0	113	A36 L37 L38	Y34-A36 VanDerWaalsContact C-N 3.33Å; Y34-A36 PolarHBondContact O-N 3.02Å; Y34-L37 HydrophobicContact CD2-CD1 4.43Å; Y34-L37 WeakPolarHBondContact O-CB 3.39Å; Y34-L37 PolarHBondContact O-N 3.45Å; Y34-L38 HydrophobicContact CD1-CD1 3.92Å; Y34-L38 HydrophobicContact CD1-CG 4.27Å; Y34-L38 HydrophobicContact CE1-CD1 3.74Å; Y34-L38 HydrophobicContact CE1-CD2 4.17Å; Y34-L38 HydrophobicContact CE1-CG 4.01Å; Y34-L38 WeakPolarHBondContact O-CG 3.32Å; Y34-L38 PolarHBondContact O-N 3.46Å; Y34-L38 VanDerWaalsContact O-N 3.1Å
35	K	75.3	Confident	72.8	Confident	174 Å²	174	93.8 Å²	93.8	76%	0.757	47%	0.467	S	S	*	.	H	α-helix	trans	-64.4	-35.3	174.6	-171	176.9	-180	179	0	112.8	S33 L38 G39	S33-K35 PolarHBondContact O-N 2.91Å; S33-K35 VanDerWaalsContact O-N 3.1Å; K35-L38 PolarHBondContact O-N 3.13Å; K35-G39 PolarHBondContact O-N 3.24Å
36	A	71.9	Confident	71.8	Confident	35 Å²	35	93.6 Å²	93.6	29%	0.289	47%	0.466	S	S	.	.	H	α-helix	trans	-70.5	-39.8	175.6	0	0	0	0	0	111.3	K32 S33 Y34 L38 G39 D40 L43	K32-A36 HydrophobicContact CB-CB 4.04Å; K32-A36 HydrophobicContact CD-CB 4.49Å; S33-A36 WeakPolarHBondContact O-CB 3.45Å; S33-A36 PolarHBondContact O-N 3.15Å; Y34-A36 VanDerWaalsContact C-N 3.33Å; Y34-A36 PolarHBondContact O-N 3.02Å; A36-L38 VanDerWaalsContact C-N 3.28Å; A36-L38 PolarHBondContact O-N 3.41Å; A36-G39 PolarHBondContact O-N 2.87Å; A36-G39 VanDerWaalsContact O-N 3.07Å; A36-D40 PolarHBondContact O-N 2.94Å; A36-L43 HydrophobicContact CB-CD1 3.96Å; A36-L43 VanDerWaalsContact O-CD1 3.22Å; A36-L43 WeakPolarHBondContact O-CD1 3.39Å
37	L	71.4	Confident	70.7	Confident	36 Å²	36	91.3 Å²	91.3	19%	0.188	46%	0.458	C	S	.	.	H	α-helix	trans	-59	-36.4	173.2	-85.5	162	0	0	0	113.2	S33 Y34 G39 D40 L43 R44 Y49	S33-L37 PolarHBondContact O-N 2.93Å; Y34-L37 HydrophobicContact CD2-CD1 4.43Å; Y34-L37 WeakPolarHBondContact O-CB 3.39Å; Y34-L37 PolarHBondContact O-N 3.45Å; L37-G39 VanDerWaalsContact C-N 3.32Å; L37-D40 CarbonylContact O-C 3.48Å; L37-L43 HydrophobicContact CD2-CB 3.57Å; L37-L43 HydrophobicContact CG-CB 4.29Å; L37-R44 HydrophobicContact CD2-CB 4.2Å; L37-Y49 HydrophobicContact CD1-CE1 3.62Å; L37-Y49 HydrophobicContact CD1-CE2 4.47Å; L37-Y49 WeakPolarHBondContact CD1-OH 3.38Å; L37-Y49 HydrophobicContact CD2-CD2 4.43Å; L37-Y49 HydrophobicContact CD2-CE1 4.3Å; L37-Y49 HydrophobicContact CD2-CE2 3.78Å; L37-Y49 HydrophobicContact CG-CE1 4.3Å; L37-Y49 HydrophobicContact CG-CE2 4.28Å; L37-Y49 WeakPolarHBondContact CG-OH 3.34Å
38	L	71.2	Confident	70	Confident	116 Å²	116	91 Å²	91	61%	0.607	45%	0.452	S	S	*	.	H	α-helix	trans	-69.2	-31.3	175.1	-69.4	171.6	0	0	0	112.4	Y34 K35 A36	Y34-L38 HydrophobicContact CD1-CD1 3.92Å; Y34-L38 HydrophobicContact CD1-CG 4.27Å; Y34-L38 HydrophobicContact CE1-CD1 3.74Å; Y34-L38 HydrophobicContact CE1-CD2 4.17Å; Y34-L38 HydrophobicContact CE1-CG 4.01Å; Y34-L38 WeakPolarHBondContact O-CG 3.32Å; Y34-L38 PolarHBondContact O-N 3.46Å; Y34-L38 VanDerWaalsContact O-N 3.1Å; K35-L38 PolarHBondContact O-N 3.13Å; A36-L38 VanDerWaalsContact C-N 3.28Å; A36-L38 PolarHBondContact O-N 3.41Å
39	G	75.3	Confident	69.5	Low	68 Å²	68	87.2 Å²	87.2	70%	0.701	43%	0.434	S	S	*	.	H	α-helix	trans	-81.1	-31.7	179.1	0	0	0	0	0	114.1	K35 A36 L37	K35-G39 PolarHBondContact O-N 3.24Å; A36-G39 PolarHBondContact O-N 2.87Å; A36-G39 VanDerWaalsContact O-N 3.07Å; L37-G39 VanDerWaalsContact C-N 3.32Å
40	D	73.5	Confident	69.1	Low	50 Å²	50	89.7 Å²	89.7	27%	0.267	45%	0.448	S	S	.	.			trans	-132.1	95.3	173.3	-175.4	1	0	0	0	110.2	A36 L37 M42 L43 Y113	A36-D40 PolarHBondContact O-N 2.94Å; L37-D40 CarbonylContact O-C 3.48Å; D40-M42 PolarHBondContact O-N 3.44Å; D40-M42 VanDerWaalsContact O-N 3.08Å; D40-M42 WeakPolarHBondContact OD1-CB 3.37Å; D40-M42 PolarHBondContact OD1-N 3.13Å; D40-L43 HydrophobicContact CB-CD1 4.12Å; D40-L43 HydrophobicContact CB-CG 4.21Å; D40-L43 VanDerWaalsContact O-CB 3.25Å; D40-L43 WeakPolarHBondContact O-CB 3.42Å; D40-L43 PolarHBondContact O-N 3.31Å; D40-Y113 WeakPolarHBondContact OD2-CE1 3.49Å; D40-Y113 PolarHBondContact OD2-OH 2.83Å
41	P	70.9	Confident	68.6	Low	92 Å²	92	90.7 Å²	90.7	60%	0.597	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-59.4	-19.5	178.7	-25.4	34.8	0	0	0	114.1	L43 R44	P41-L43 PolarHBondContact O-N 2.67Å; P41-R44 PolarHBondContact O-N 3.47Å
42	M	69.1	Low	68.3	Low	95 Å²	95	89.6 Å²	89.6	47%	0.468	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-69.5	-19.2	176.9	-157	65.5	68.6	0	0	112.1	D40 R44 F45 Y113	D40-M42 PolarHBondContact O-N 3.44Å; D40-M42 VanDerWaalsContact O-N 3.08Å; D40-M42 WeakPolarHBondContact OD1-CB 3.37Å; D40-M42 PolarHBondContact OD1-N 3.13Å; M42-R44 PolarHBondContact O-N 3.07Å; M42-R44 VanDerWaalsContact O-N 3.17Å; M42-F45 PolarHBondContact O-N 3.39Å; M42-F45 HydrophobicContact SD-CD2 4Å; M42-Y113 HydrophobicContact CB-CE1 3.79Å; M42-Y113 HydrophobicContact CG-CD1 4.3Å; M42-Y113 HydrophobicContact CG-CE1 3.88Å
43	L	69.6	Low	68.3	Low	5 Å²	5	85.5 Å²	85.5	3%	0.026	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-56.5	-33.9	175.9	-85.1	165.6	0	0	0	111.2	K32 A36 L37 D40 P41 F45 S46 Y49 Y113	K32-L43 HydrophobicContact CD-CD1 4.26Å; K32-L43 HydrophobicContact CD-CD2 3.68Å; K32-L43 HydrophobicContact CG-CD2 4.41Å; A36-L43 HydrophobicContact CB-CD1 3.96Å; A36-L43 VanDerWaalsContact O-CD1 3.22Å; A36-L43 WeakPolarHBondContact O-CD1 3.39Å; L37-L43 HydrophobicContact CD2-CB 3.57Å; L37-L43 HydrophobicContact CG-CB 4.29Å; D40-L43 HydrophobicContact CB-CD1 4.12Å; D40-L43 HydrophobicContact CB-CG 4.21Å; D40-L43 VanDerWaalsContact O-CB 3.25Å; D40-L43 WeakPolarHBondContact O-CB 3.42Å; D40-L43 PolarHBondContact O-N 3.31Å; P41-L43 PolarHBondContact O-N 2.67Å; L43-F45 PolarHBondContact O-N 3.33Å; L43-S46 VanDerWaalsContact O-CB 3.3Å; L43-S46 WeakPolarHBondContact O-CB 3.39Å; L43-S46 PolarHBondContact O-N 2.94Å; L43-S46 VanDerWaalsContact O-N 3.1Å; L43-Y49 HydrophobicContact CB-CE2 4.25Å; L43-Y49 WeakPolarHBondContact O-CD2 3.49Å; L43-Y49 WeakPolarHBondContact O-CE2 3.42Å; L43-Y113 WeakPolarHBondContact CA-OH 3.13Å; L43-Y113 HydrophobicContact CD2-CE2 3.85Å; L43-Y113 WeakPolarHBondContact CD2-OH 3.4Å; L43-Y113 HydrophobicContact CG-CE2 4.35Å; L43-Y113 WeakPolarHBondContact CG-OH 3.33Å; L43-Y113 PolarHBondContact N-OH 2.97Å
44	R	63.8	Low	68.4	Low	184 Å²	184	81.8 Å²	81.8	69%	0.694	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-60.8	-26.9	179.4	-175.1	176.8	174.3	164.6	-0.1	113.1	L37 P41 M42	L37-R44 HydrophobicContact CD2-CB 4.2Å; P41-R44 PolarHBondContact O-N 3.47Å; M42-R44 PolarHBondContact O-N 3.07Å; M42-R44 VanDerWaalsContact O-N 3.17Å
45	F	65.5	Low	69	Low	145 Å²	145	75.9 Å²	75.9	64%	0.636	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-95.4	-7.3	-179.8	-58.4	-75.5	0	0	0	113.2	M42 L43	M42-F45 PolarHBondContact O-N 3.39Å; M42-F45 HydrophobicContact SD-CD2 4Å; L43-F45 PolarHBondContact O-N 3.33Å
46	S	68.1	Low	69.6	Low	1 Å²	1	67.8 Å²	67.8	1%	0.007	36%	0.355	C	S	.	.	S	Bend	trans	-62.9	146.3	169	170.9	0	0	0	0	109.8	L43 L48 Y49 D111	L43-S46 VanDerWaalsContact O-CB 3.3Å; L43-S46 WeakPolarHBondContact O-CB 3.39Å; L43-S46 PolarHBondContact O-N 2.94Å; L43-S46 VanDerWaalsContact O-N 3.1Å; S46-L48 PolarHBondContact O-N 3.49Å; S46-L48 WeakPolarHBondContact OG-CG 3.46Å; S46-L48 PolarHBondContact OG-N 3.17Å; S46-Y49 PolarHBondContact O-N 3.43Å; S46-Y49 VanDerWaalsContact O-N 3.11Å; S46-D111 PolarHBondContact OG-OD2 2.93Å
47	G	62.7	Low	70.5	Confident	12 Å²	12	68.4 Å²	68.4	12%	0.124	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-0.5	174.5	0	0	0	0	0	114.7	Y49	G47-Y49 VanDerWaalsContact C-N 3.29Å
48	L	64.3	Low	71.6	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.084	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.4	167.3	-77.1	170.4	0	0	0	114.6	R29 Q31 S46	R29-L48 HydrophobicContact CB-CD2 4.39Å; R29-L48 VanDerWaalsContact CD-CD2 3.43Å; R29-L48 HydrophobicContact CG-CD2 3.56Å; R29-L48 VanDerWaalsContact CZ-CD2 3.42Å; R29-L48 VanDerWaalsContact CZ-CG 3.5Å; Q31-L48 PolarHBondContact NE2-O 2.9Å; S46-L48 PolarHBondContact O-N 3.49Å; S46-L48 WeakPolarHBondContact OG-CG 3.46Å; S46-L48 PolarHBondContact OG-N 3.17Å
49	Y	63.3	Low	72.7	Confident	68 Å²	68	62.4 Å²	62.4	27%	0.267	32%	0.32	S	S	.	.	S	Bend	trans	-115.2	7.1	-174.6	-59.4	-84	0	0	0	113	K32 L37 L43 S46 G47	K32-Y49 PolarHBondContact O-OH 3.39Å; L37-Y49 HydrophobicContact CD1-CE1 3.62Å; L37-Y49 HydrophobicContact CD1-CE2 4.47Å; L37-Y49 WeakPolarHBondContact CD1-OH 3.38Å; L37-Y49 HydrophobicContact CD2-CD2 4.43Å; L37-Y49 HydrophobicContact CD2-CE1 4.3Å; L37-Y49 HydrophobicContact CD2-CE2 3.78Å; L37-Y49 HydrophobicContact CG-CE1 4.3Å; L37-Y49 HydrophobicContact CG-CE2 4.28Å; L37-Y49 WeakPolarHBondContact CG-OH 3.34Å; L43-Y49 HydrophobicContact CB-CE2 4.25Å; L43-Y49 WeakPolarHBondContact O-CD2 3.49Å; L43-Y49 WeakPolarHBondContact O-CE2 3.42Å; S46-Y49 PolarHBondContact O-N 3.43Å; S46-Y49 VanDerWaalsContact O-N 3.11Å; G47-Y49 VanDerWaalsContact C-N 3.29Å
50	Q	65.9	Low	73.7	Confident	109 Å²	109	59.1 Å²	59.1	51%	0.509	29%	0.287	S	S	.	.	S	Bend	trans	-84.2	149.1	171.5	-66.1	-179.9	2.2	0	0	109.7	N52	Q50-N52 PolarHBondContact O-N 3.36Å
51	E	56.8	Low	74.7	Confident	204 Å²	204	59 Å²	59	95%	0.953	28%	0.284	S	S	*	.	S	Bend	trans	-69.4	-20.3	176.7	-66.2	-176.2	166.9	0	0	112.5
52	N	63.8	Low	75.8	Confident	107 Å²	107	54.7 Å²	54.7	57%	0.572	26%	0.257	S	S	*	.	S	Bend	trans	-99.7	162.3	178.7	-63.9	-17.8	0	0	0	111.7	Q50 S54	Q50-N52 PolarHBondContact O-N 3.36Å; N52-S54 PolarHBondContact O-N 3.01Å
53	C	70.1	Confident	77	Confident	25 Å²	25	51.5 Å²	51.5	17%	0.169	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-55.7	133.3	173.2	-71.8	0	0	0	0	111.8	F80 S81	C53-F80 HydrophobicContact CB-CB 3.55Å; C53-S81 PolarHBondContact N-O 3.43Å
54	S	74	Confident	78	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-60.4	144.1	175.7	57.6	0	0	0	0	112.2	R29 N52 L56 W84	R29-S54 PolarHBondContact NH1-OG 3.19Å; N52-S54 PolarHBondContact O-N 3.01Å; S54-L56 PolarHBondContact O-N 2.7Å; S54-L56 WeakPolarHBondContact OG-CD2 3.45Å; S54-L56 WeakPolarHBondContact OG-CG 3.48Å; S54-W84 PolarHBondContact O-NE1 3.42Å
55	D	82	Confident	79.1	Confident	50 Å²	50	49.7 Å²	49.7	27%	0.267	24%	0.241	S	C	.	.			trans	-70.2	97.9	172.5	-76.6	-9.9	0	0	0	110.5	Y77	D55-Y77 HydrophobicContact CB-CE2 4.1Å; D55-Y77 WeakPolarHBondContact OD2-CE2 3.49Å; D55-Y77 PolarHBondContact OD2-OH 3.34Å
56	L	88.3	Confident	80	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.3	-179.2	-59.5	-178.4	0	0	0	111.4	L25 S54 F80 W84 W86 V109 W110 D111 V121	L25-L56 HydrophobicContact CD2-CD1 3.84Å; S54-L56 PolarHBondContact O-N 2.7Å; S54-L56 WeakPolarHBondContact OG-CD2 3.45Å; S54-L56 WeakPolarHBondContact OG-CG 3.48Å; L56-F80 WeakPolarHBondContact O-CE2 3.42Å; L56-W84 HydrophobicContact CD1-CD2 4.09Å; L56-W84 HydrophobicContact CD1-CG 4.25Å; L56-W84 HydrophobicContact CD1-CZ2 4.09Å; L56-W86 HydrophobicContact CB-CH2 4.25Å; L56-W86 HydrophobicContact CB-CZ2 3.81Å; L56-W86 WeakPolarHBondContact O-CZ2 3.47Å; L56-W86 PolarHBondContact O-NE1 3Å; L56-V109 HydrophobicContact CB-CG1 4.25Å; L56-V109 HydrophobicContact CD1-CG1 3.98Å; L56-W110 WeakPolarHBondContact CA-O 3.45Å; L56-W110 WeakPolarHBondContact CD2-O 3.42Å; L56-D111 HydrophobicContact CD2-CB 3.74Å; L56-V121 HydrophobicContact CD2-CG2 3.87Å
57	Y	91.6	Very high	81	Confident	47 Å²	47	51.6 Å²	51.6	18%	0.184	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154.1	167.1	69.9	-89.8	0	0	0	110.9	T59 R74 W110 I112 A118	Y57-T59 HydrophobicContact CD2-CG2 4.09Å; Y57-T59 HydrophobicContact CE2-CG2 3.73Å; Y57-R74 HydrophobicContact CD2-CB 4.32Å; Y57-W110 HydrophobicContact CD1-CB 3.92Å; Y57-W110 HydrophobicContact CD2-CB 4.05Å; Y57-W110 HydrophobicContact CD2-CG 4.29Å; Y57-W110 HydrophobicContact CE1-CB 3.47Å; Y57-W110 VanDerWaalsContact CE1-CB 3.47Å; Y57-W110 HydrophobicContact CE1-CG 4.27Å; Y57-W110 HydrophobicContact CE2-CB 3.6Å; Y57-W110 AromaticContact CE2-CD1 3.46Å; Y57-W110 VanDerWaalsContact CE2-CD1 3.46Å; Y57-W110 AromaticContact CE2-CG 3.59Å; Y57-W110 HydrophobicContact CE2-CG 3.59Å; Y57-W110 HydrophobicContact CG-CB 4.19Å; Y57-W110 AromaticContact CZ-CD1 3.96Å; Y57-W110 AromaticContact CZ-CG 3.58Å; Y57-W110 PolarHBondContact N-O 3.5Å; Y57-W110 VanDerWaalsContact N-O 3.14Å; Y57-W110 PolarHBondContact O-N 2.95Å; Y57-I112 HydrophobicContact CD1-CD1 4.21Å; Y57-I112 HydrophobicContact CD1-CG1 3.96Å; Y57-I112 HydrophobicContact CE1-CD1 4.47Å; Y57-I112 HydrophobicContact CE1-CG1 3.88Å; Y57-A118 HydrophobicContact CE1-CB 4.25Å; Y57-A118 WeakPolarHBondContact OH-CB 3.33Å
58	V	94.1	Very high	82.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.4	-180	-174.5	0	0	0	0	109.1	I22 R74 T75 W86 L107 T108 V109 L216	I22-V58 HydrophobicContact CG2-CB 4.29Å; I22-V58 HydrophobicContact CG2-CG2 4.04Å; V58-R74 CarbonylContact O-C 3.57Å; V58-R74 VanDerWaalsContact O-CA 3.3Å; V58-R74 WeakPolarHBondContact O-CA 3.36Å; V58-T75 HydrophobicContact CB-CG2 3.95Å; V58-T75 PolarHBondContact N-OG1 3Å; V58-T75 PolarHBondContact O-N 2.95Å; V58-W86 HydrophobicContact CG2-CD2 4.43Å; V58-W86 HydrophobicContact CG2-CH2 4.08Å; V58-W86 HydrophobicContact CG2-CZ2 3.85Å; V58-W86 HydrophobicContact CG2-CZ3 4.45Å; V58-L107 HydrophobicContact CG1-CB 4.21Å; V58-L107 HydrophobicContact CG1-CD2 4.21Å; V58-T108 CarbonylContact C-O 3.56Å; V58-T108 WeakPolarHBondContact CA-O 3.26Å; V58-V109 HydrophobicContact CG2-CG2 4.2Å; V58-L216 HydrophobicContact CG1-CD2 4.2Å
59	T	94.7	Very high	83.6	Confident	26 Å²	26	57.6 Å²	57.6	16%	0.16	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.4	167.8	58	0	0	0	0	109.9	Y57 V73 R74 L107 T108 W110	Y57-T59 HydrophobicContact CD2-CG2 4.09Å; Y57-T59 HydrophobicContact CE2-CG2 3.73Å; T59-V73 CarbonylContact C-O 3.17Å; T59-V73 VanDerWaalsContact CA-O 3.29Å; T59-V73 WeakPolarHBondContact CA-O 3.43Å; T59-R74 HydrophobicContact CG2-CB 4.04Å; T59-L107 CarbonylContact O-C 3.6Å; T59-L107 VanDerWaalsContact O-CA 3.23Å; T59-L107 WeakPolarHBondContact O-CA 3.39Å; T59-T108 PolarHBondContact N-O 3.17Å; T59-T108 PolarHBondContact O-N 2.89Å; T59-T108 PolarHBondContact OG1-O 3.03Å; T59-W110 PolarHBondContact OG1-NE1 2.91Å
60	C	94.9	Very high	84.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.3	-178.2	-176.1	0	0	0	0	109	P72 V73 L90 L92 V105 A106 L107	C60-P72 WeakPolarHBondContact O-CA 3.12Å; C60-V73 PolarHBondContact N-O 3.21Å; C60-V73 PolarHBondContact O-N 3.23Å; C60-L90 HydrophobicContact CB-CD1 3.94Å; C60-L92 HydrophobicContact CB-CD2 4.21Å; C60-V105 WeakPolarHBondContact SG-CG2 3.35Å; C60-A106 WeakPolarHBondContact CA-O 3.44Å; C60-L107 HydrophobicContact CB-CD2 4.37Å
61	Q	94.9	Very high	86.1	Confident	47 Å²	47	56.3 Å²	56.3	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.6	-179.2	-172.5	172.2	19.3	0	0	110.9	F63 P68 A70 P72 V105 A106	Q61-F63 HydrophobicContact CB-CD2 4.45Å; Q61-F63 HydrophobicContact CB-CE2 3.8Å; Q61-F63 HydrophobicContact CG-CD2 4.23Å; Q61-F63 HydrophobicContact CG-CE2 3.62Å; Q61-F63 HydrophobicContact CG-CZ 4.09Å; Q61-P68 VanDerWaalsContact NE2-CB 3.31Å; Q61-A70 WeakPolarHBondContact CG-O 3.34Å; Q61-A70 PolarHBondContact NE2-O 2.93Å; Q61-P72 HydrophobicContact CB-CB 4.13Å; Q61-P72 HydrophobicContact CG-CB 4.42Å; Q61-V105 WeakPolarHBondContact O-CA 3.44Å; Q61-A106 PolarHBondContact N-O 3.4Å; Q61-A106 PolarHBondContact O-N 3.3Å
62	V	94.5	Very high	87.8	Confident	2 Å²	2	50 Å²	50	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.3	179.8	-172.6	0	0	0	0	109.8	L69 L92 V94 L99 Q104 L128	V62-L69 HydrophobicContact CG1-CB 4.37Å; V62-L69 HydrophobicContact CG1-CD1 4.12Å; V62-L69 PolarHBondContact O-N 3.31Å; V62-L92 HydrophobicContact CG2-CD1 3.61Å; V62-V94 HydrophobicContact CB-CG2 4.46Å; V62-V94 HydrophobicContact CG2-CG2 4.41Å; V62-L99 HydrophobicContact CG1-CD2 3.9Å; V62-Q104 CarbonylContact C-O 3.55Å; V62-Q104 WeakPolarHBondContact CA-O 3.11Å; V62-L128 HydrophobicContact CG1-CD1 4.07Å
63	F	93.3	Very high	89.3	Confident	27 Å²	27	46.6 Å²	46.6	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.3	177.6	-70.7	-99.3	0	0	0	110.7	Q61 K67 P68 A103 Q104 A106	Q61-F63 HydrophobicContact CB-CD2 4.45Å; Q61-F63 HydrophobicContact CB-CE2 3.8Å; Q61-F63 HydrophobicContact CG-CD2 4.23Å; Q61-F63 HydrophobicContact CG-CE2 3.62Å; Q61-F63 HydrophobicContact CG-CZ 4.09Å; F63-K67 CarbonylContact C-O 3.57Å; F63-K67 VanDerWaalsContact CA-O 3.23Å; F63-K67 WeakPolarHBondContact CA-O 3.37Å; F63-P68 HydrophobicContact CD1-CB 4.1Å; F63-P68 HydrophobicContact CE1-CB 3.8Å; F63-P68 HydrophobicContact CE1-CG 4.33Å; F63-P68 HydrophobicContact CZ-CB 4.24Å; F63-A103 WeakPolarHBondContact O-CA 3.39Å; F63-Q104 PolarHBondContact N-O 2.86Å; F63-Q104 PolarHBondContact O-N 3.43Å; F63-A106 HydrophobicContact CD2-CB 3.89Å; F63-A106 HydrophobicContact CE2-CB 3.78Å
64	A	91.1	Very high	90.4	Very high	9 Å²	9	54.2 Å²	54.2	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135.6	164.2	0	0	0	0	0	108.6	G66 K67 L69 P100	A64-G66 PolarHBondContact O-N 3.11Å; A64-G66 VanDerWaalsContact O-N 3.14Å; A64-K67 PolarHBondContact N-O 2.99Å; A64-K67 PolarHBondContact O-N 3.22Å; A64-L69 HydrophobicContact CB-CD1 3.7Å; A64-L69 HydrophobicContact CB-CD2 4.1Å; A64-L69 HydrophobicContact CB-CG 3.9Å; A64-P100 HydrophobicContact CB-CG 3.44Å; A64-P100 VanDerWaalsContact CB-CG 3.44Å
65	E	86.2	Confident	91.3	Very high	143 Å²	143	54.4 Å²	54.4	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	37.6	179.2	-55.2	179.1	178.9	0	0	113.3	K67	E65-K67 VanDerWaalsContact C-N 3.26Å; E65-K67 PolarHBondContact O-N 3.08Å
66	G	84.5	Confident	91.7	Very high	38 Å²	38	55.1 Å²	55.1	39%	0.392	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-2.5	-177.7	0	0	0	0	0	115.8	A64 G152	A64-G66 PolarHBondContact O-N 3.11Å; A64-G66 VanDerWaalsContact O-N 3.14Å; G66-G152 VanDerWaalsContact CA-O 3.25Å; G66-G152 WeakPolarHBondContact CA-O 3.46Å; G66-G152 PolarHBondContact N-O 2.97Å
67	K	89.3	Confident	91.5	Very high	148 Å²	148	62.4 Å²	62.4	64%	0.643	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.1	-179.7	-66.3	176.8	-175	166.4	0	111.7	F63 A64 E65 L69	F63-K67 CarbonylContact C-O 3.57Å; F63-K67 VanDerWaalsContact CA-O 3.23Å; F63-K67 WeakPolarHBondContact CA-O 3.37Å; A64-K67 PolarHBondContact N-O 2.99Å; A64-K67 PolarHBondContact O-N 3.22Å; E65-K67 VanDerWaalsContact C-N 3.26Å; E65-K67 PolarHBondContact O-N 3.08Å; K67-L69 PolarHBondContact O-N 3.33Å
68	P	92.1	Very high	91.1	Very high	77 Å²	77	64.3 Å²	64.3	50%	0.5	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.8	176	28.2	-32.7	0	0	0	110.4	Q61 F63	Q61-P68 VanDerWaalsContact NE2-CB 3.31Å; F63-P68 HydrophobicContact CD1-CB 4.1Å; F63-P68 HydrophobicContact CE1-CB 3.8Å; F63-P68 HydrophobicContact CE1-CG 4.33Å; F63-P68 HydrophobicContact CZ-CB 4.24Å
69	L	90.3	Very high	90.4	Very high	76 Å²	76	67.6 Å²	67.6	40%	0.398	36%	0.355	S	S	.	.	S	Bend	trans	-82.6	-24.6	174.8	-68.6	-177	0	0	0	112.3	V62 A64 K67 P100	V62-L69 HydrophobicContact CG1-CB 4.37Å; V62-L69 HydrophobicContact CG1-CD1 4.12Å; V62-L69 PolarHBondContact O-N 3.31Å; A64-L69 HydrophobicContact CB-CD1 3.7Å; A64-L69 HydrophobicContact CB-CD2 4.1Å; A64-L69 HydrophobicContact CB-CG 3.9Å; K67-L69 PolarHBondContact O-N 3.33Å; L69-P100 HydrophobicContact CD1-CG 4.09Å
70	A	89.9	Confident	89.9	Confident	14 Å²	14	67 Å²	67	12%	0.116	35%	0.35	C	S	.	.	S	Bend	trans	-143.4	162.9	-175	0	0	0	0	0	112.8	Q61 P93 V94	Q61-A70 WeakPolarHBondContact CG-O 3.34Å; Q61-A70 PolarHBondContact NE2-O 2.93Å; A70-P93 HydrophobicContact CB-CG 3.71Å; A70-V94 HydrophobicContact CB-CG2 3.2Å
71	L	91.7	Very high	89	Confident	137 Å²	137	70.9 Å²	70.9	72%	0.717	38%	0.377	S	S	*	.			trans	-67.3	145.3	169.1	-64.5	176	0	0	0	110.8
72	P	92.8	Very high	88.1	Confident	72 Å²	72	74.3 Å²	74.3	47%	0.468	40%	0.402	S	S	.	.			trans	-66.8	136.1	177.9	27.8	-34.1	0	0	0	111.2	C60 Q61	C60-P72 WeakPolarHBondContact O-CA 3.12Å; Q61-P72 HydrophobicContact CB-CB 4.13Å; Q61-P72 HydrophobicContact CG-CB 4.42Å
73	V	94.4	Very high	87.5	Confident	35 Å²	35	82.4 Å²	82.4	21%	0.212	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.7	174.1	-178.3	0	0	0	0	108.8	T59 C60 L90 L92 P93	T59-V73 CarbonylContact C-O 3.17Å; T59-V73 VanDerWaalsContact CA-O 3.29Å; T59-V73 WeakPolarHBondContact CA-O 3.43Å; C60-V73 PolarHBondContact N-O 3.21Å; C60-V73 PolarHBondContact O-N 3.23Å; V73-L90 HydrophobicContact CG1-CB 4.39Å; V73-L90 HydrophobicContact CG1-CD2 4.34Å; V73-L92 HydrophobicContact CB-CD2 4.26Å; V73-L92 HydrophobicContact CG2-CD2 4.16Å; V73-P93 HydrophobicContact CG2-CG 4.42Å
74	R	93.3	Very high	87.2	Confident	185 Å²	185	82.7 Å²	82.7	70%	0.698	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.2	179	68.9	-178.7	179.3	-173.6	-0.6	112.1	Y57 V58 T59	Y57-R74 HydrophobicContact CD2-CB 4.32Å; V58-R74 CarbonylContact O-C 3.57Å; V58-R74 VanDerWaalsContact O-CA 3.3Å; V58-R74 WeakPolarHBondContact O-CA 3.36Å; T59-R74 HydrophobicContact CG2-CB 4.04Å
75	T	93.8	Very high	87.1	Confident	6 Å²	6	84.2 Å²	84.2	4%	0.037	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-65.1	153.8	168.3	57.1	0	0	0	0	111.9	I22 V58 W86 L90	I22-T75 HydrophobicContact CB-CG2 4.17Å; I22-T75 HydrophobicContact CG1-CG2 4Å; I22-T75 HydrophobicContact CG2-CG2 4.27Å; V58-T75 HydrophobicContact CB-CG2 3.95Å; V58-T75 PolarHBondContact N-OG1 3Å; V58-T75 PolarHBondContact O-N 2.95Å; T75-W86 HydrophobicContact CG2-CG 4.29Å; T75-W86 PolarHBondContact OG1-NE1 3.49Å; T75-L90 HydrophobicContact CG2-CD1 4.02Å; T75-L90 HydrophobicContact CG2-CD2 4.12Å; T75-L90 HydrophobicContact CG2-CG 4.42Å
76	S	89.6	Confident	87.4	Confident	64 Å²	64	77.8 Å²	77.8	45%	0.448	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-60.9	154.8	167.9	66.3	0	0	0	0	111.8	E88	S76-E88 WeakPolarHBondContact CB-OE2 3.47Å; S76-E88 PolarHBondContact N-OE1 3.27Å; S76-E88 VanDerWaalsContact N-OE1 3.09Å; S76-E88 PolarHBondContact N-OE2 3.05Å; S76-E88 VanDerWaalsContact OG-CD 3.31Å; S76-E88 PolarHBondContact OG-OE2 3Å
77	Y	85.3	Confident	87.8	Confident	158 Å²	158	80.5 Å²	80.5	62%	0.62	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-70.3	133.9	173.7	173	-99.6	0	0	0	110.2	D55	D55-Y77 HydrophobicContact CB-CE2 4.1Å; D55-Y77 WeakPolarHBondContact OD2-CE2 3.49Å; D55-Y77 PolarHBondContact OD2-OH 3.34Å
78	K	83.4	Confident	88	Confident	86 Å²	86	75.6 Å²	75.6	37%	0.374	39%	0.393	S	S	.	.			trans	-143.6	129.6	175.4	-169.8	173.4	-173.7	177.5	0	109.4	F80 N85 W86	K78-F80 HydrophobicContact CB-CE1 4.26Å; K78-F80 HydrophobicContact CB-CZ 4.04Å; K78-F80 HydrophobicContact CD-CE1 3.99Å; K78-F80 HydrophobicContact CD-CZ 4.49Å; K78-F80 HydrophobicContact CG-CE1 4.18Å; K78-F80 HydrophobicContact CG-CZ 4.46Å; K78-F80 WeakPolarHBondContact O-CD2 3.17Å; K78-F80 VanDerWaalsContact O-CE2 3.24Å; K78-F80 WeakPolarHBondContact O-CE2 3.3Å; K78-N85 WeakPolarHBondContact CE-O 3.5Å; K78-N85 PolarHBondContact NZ-O 2.97Å; K78-W86 PolarHBondContact NZ-O 3.27Å
79	A	79.6	Confident	88.1	Confident	70 Å²	70	77.1 Å²	77.1	58%	0.579	39%	0.389	S	S	*	.			trans	-76.9	128.8	171.9	0	0	0	0	0	109.6
80	F	82.8	Confident	88.3	Confident	13 Å²	13	73.7 Å²	73.7	6%	0.057	37%	0.371	C	S	.	.			trans	-103.7	131.2	-179.6	-59.2	-72.6	0	0	0	110.9	C53 L56 K78 R83 W84 W86	C53-F80 HydrophobicContact CB-CB 3.55Å; L56-F80 WeakPolarHBondContact O-CE2 3.42Å; K78-F80 HydrophobicContact CB-CE1 4.26Å; K78-F80 HydrophobicContact CB-CZ 4.04Å; K78-F80 HydrophobicContact CD-CE1 3.99Å; K78-F80 HydrophobicContact CD-CZ 4.49Å; K78-F80 HydrophobicContact CG-CE1 4.18Å; K78-F80 HydrophobicContact CG-CZ 4.46Å; K78-F80 WeakPolarHBondContact O-CD2 3.17Å; K78-F80 VanDerWaalsContact O-CE2 3.24Å; K78-F80 WeakPolarHBondContact O-CE2 3.3Å; F80-R83 WeakPolarHBondContact CD1-O 3Å; F80-W84 AromaticContact CD2-CD1 3.67Å; F80-W84 AromaticContact CG-CD1 3.78Å; F80-W86 HydrophobicContact CE2-CZ2 4.13Å; F80-W86 HydrophobicContact CZ-CD2 4Å; F80-W86 AromaticContact CZ-CE2 3.55Å; F80-W86 HydrophobicContact CZ-CG 4.29Å; F80-W86 AromaticContact CZ-CZ2 3.86Å; F80-W86 HydrophobicContact CZ-CZ2 3.86Å; F80-W86 AromaticContact CZ-NE1 3.57Å
81	S	75.9	Confident	88.5	Confident	81 Å²	81	80.5 Å²	80.5	57%	0.566	39%	0.394	S	S	*	.	S	Bend	trans	-95.2	-64.9	175.3	55	0	0	0	0	111.3	C53	C53-S81 PolarHBondContact N-O 3.43Å
82	T	75.9	Confident	88.6	Confident	120 Å²	120	74 Å²	74	74%	0.736	36%	0.36	S	S	*	.	S	Bend	trans	-114.7	-23.7	-170.8	55.8	0	0	0	0	114.6
83	R	82.6	Confident	88.6	Confident	172 Å²	172	74 Å²	74	65%	0.649	36%	0.36	S	S	*	.	S	Bend	trans	-150.5	146.7	-178.4	64.1	-178.2	-177.8	179.5	0.5	111.9	F80 N85	F80-R83 WeakPolarHBondContact CD1-O 3Å; R83-N85 HydrophobicContact CG-CB 4.34Å; R83-N85 PolarHBondContact O-N 2.9Å
84	W	86.7	Confident	88.5	Confident	32 Å²	32	72.8 Å²	72.8	12%	0.121	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	101.8	170.5	-61.4	-61.7	0	0	0	109.9	S24 L25 S54 L56 F80 W86	S24-W84 CarbonylContact C-O 3.47Å; S24-W84 WeakPolarHBondContact CA-O 3.31Å; L25-W84 HydrophobicContact CB-CB 3.84Å; L25-W84 HydrophobicContact CB-CE3 4.36Å; L25-W84 HydrophobicContact CD2-CD2 4.22Å; L25-W84 HydrophobicContact CD2-CE3 4.02Å; L25-W84 HydrophobicContact CD2-CG 4.49Å; L25-W84 HydrophobicContact CG-CE3 4.17Å; L25-W84 PolarHBondContact N-O 2.95Å; S54-W84 PolarHBondContact O-NE1 3.42Å; L56-W84 HydrophobicContact CD1-CD2 4.09Å; L56-W84 HydrophobicContact CD1-CG 4.25Å; L56-W84 HydrophobicContact CD1-CZ2 4.09Å; F80-W84 AromaticContact CD2-CD1 3.67Å; F80-W84 AromaticContact CG-CD1 3.78Å; W84-W86 HydrophobicContact CB-CH2 3.87Å; W84-W86 HydrophobicContact CB-CZ3 3.8Å; W84-W86 HydrophobicContact CG-CH2 4.39Å
85	N	90.3	Very high	88.6	Confident	41 Å²	41	67.6 Å²	67.6	22%	0.219	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	104.8	177.2	-178	1.7	0	0	0	110.1	K78 R83 N87	K78-N85 WeakPolarHBondContact CE-O 3.5Å; K78-N85 PolarHBondContact NZ-O 2.97Å; R83-N85 HydrophobicContact CG-CB 4.34Å; R83-N85 PolarHBondContact O-N 2.9Å; N85-N87 WeakPolarHBondContact OD1-CB 3.31Å; N85-N87 PolarHBondContact OD1-N 3.3Å
86	W	92.4	Very high	88.5	Confident	9 Å²	9	67.6 Å²	67.6	3%	0.034	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-52.9	177.2	-68	-95	0	0	0	110.3	I22 G23 L25 L56 V58 T75 K78 F80 W84 E88 L216	I22-W86 HydrophobicContact CB-CB 4.42Å; I22-W86 HydrophobicContact CG2-CB 4.24Å; I22-W86 HydrophobicContact CG2-CD2 4.18Å; I22-W86 HydrophobicContact CG2-CE3 4.08Å; I22-W86 HydrophobicContact CG2-CG 4.27Å; G23-W86 PolarHBondContact O-N 3.48Å; L25-W86 HydrophobicContact CB-CH2 3.96Å; L25-W86 HydrophobicContact CB-CZ3 3.59Å; L25-W86 HydrophobicContact CD2-CH2 4.21Å; L56-W86 HydrophobicContact CB-CH2 4.25Å; L56-W86 HydrophobicContact CB-CZ2 3.81Å; L56-W86 WeakPolarHBondContact O-CZ2 3.47Å; L56-W86 PolarHBondContact O-NE1 3Å; V58-W86 HydrophobicContact CG2-CD2 4.43Å; V58-W86 HydrophobicContact CG2-CH2 4.08Å; V58-W86 HydrophobicContact CG2-CZ2 3.85Å; V58-W86 HydrophobicContact CG2-CZ3 4.45Å; T75-W86 HydrophobicContact CG2-CG 4.29Å; T75-W86 PolarHBondContact OG1-NE1 3.49Å; K78-W86 PolarHBondContact NZ-O 3.27Å; F80-W86 HydrophobicContact CE2-CZ2 4.13Å; F80-W86 HydrophobicContact CZ-CD2 4Å; F80-W86 AromaticContact CZ-CE2 3.55Å; F80-W86 HydrophobicContact CZ-CG 4.29Å; F80-W86 AromaticContact CZ-CZ2 3.86Å; F80-W86 HydrophobicContact CZ-CZ2 3.86Å; F80-W86 AromaticContact CZ-NE1 3.57Å; W84-W86 HydrophobicContact CB-CH2 3.87Å; W84-W86 HydrophobicContact CB-CZ3 3.8Å; W84-W86 HydrophobicContact CG-CH2 4.39Å; W86-E88 VanDerWaalsContact C-N 3.26Å; W86-E88 HydrophobicContact CB-CB 4.32Å; W86-E88 PolarHBondContact O-N 3.34Å; W86-L216 HydrophobicContact CZ3-CD1 4.34Å
87	N	91.4	Very high	88.5	Confident	94 Å²	94	67 Å²	67	50%	0.503	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.9	44	-173.3	-168.6	50.1	0	0	0	112	K21 I22 N85	K21-N87 WeakPolarHBondContact CE-OD1 3.49Å; K21-N87 PolarHBondContact NZ-OD1 2.72Å; I22-N87 VanDerWaalsContact O-CA 3.28Å; I22-N87 WeakPolarHBondContact O-CA 3.23Å; I22-N87 PolarHBondContact O-N 3.36Å; N85-N87 WeakPolarHBondContact OD1-CB 3.31Å; N85-N87 PolarHBondContact OD1-N 3.3Å
88	E	93.4	Very high	88.8	Confident	45 Å²	45	64.4 Å²	64.4	21%	0.21	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	-171.2	-176.2	-179.3	162.8	0	0	111	K21 I22 S76 W86 L90	K21-E88 CarbonylContact C-O 3.59Å; K21-E88 VanDerWaalsContact CA-O 3.28Å; K21-E88 WeakPolarHBondContact CA-O 3.3Å; I22-E88 PolarHBondContact N-O 3.17Å; I22-E88 PolarHBondContact O-N 2.97Å; I22-E88 VanDerWaalsContact O-N 3.1Å; S76-E88 WeakPolarHBondContact CB-OE2 3.47Å; S76-E88 PolarHBondContact N-OE1 3.27Å; S76-E88 VanDerWaalsContact N-OE1 3.09Å; S76-E88 PolarHBondContact N-OE2 3.05Å; S76-E88 VanDerWaalsContact OG-CD 3.31Å; S76-E88 PolarHBondContact OG-OE2 3Å; W86-E88 VanDerWaalsContact C-N 3.26Å; W86-E88 HydrophobicContact CB-CB 4.32Å; W86-E88 PolarHBondContact O-N 3.34Å; E88-L90 HydrophobicContact CG-CD2 4.28Å
89	W	94.4	Very high	89.1	Confident	110 Å²	110	60.4 Å²	60.4	42%	0.417	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.2	171.2	-76	97.8	0	0	0	110.4	Q19 K21 E219 P221	Q19-W89 HydrophobicContact CB-CE3 3.94Å; Q19-W89 HydrophobicContact CB-CZ3 4.29Å; K21-W89 HydrophobicContact CB-CD2 3.59Å; K21-W89 HydrophobicContact CB-CE3 3.67Å; K21-W89 HydrophobicContact CB-CG 4.18Å; K21-W89 HydrophobicContact CB-CH2 3.94Å; K21-W89 HydrophobicContact CB-CZ2 3.89Å; K21-W89 HydrophobicContact CB-CZ3 3.84Å; K21-W89 HydrophobicContact CD-CD2 4.31Å; K21-W89 HydrophobicContact CD-CZ2 3.9Å; K21-W89 HydrophobicContact CG-CD2 3.91Å; K21-W89 HydrophobicContact CG-CE3 4.47Å; K21-W89 HydrophobicContact CG-CG 4.05Å; K21-W89 HydrophobicContact CG-CZ2 4.31Å; W89-E219 HydrophobicContact CH2-CG 4.17Å; W89-E219 HydrophobicContact CZ2-CG 4.37Å; W89-P221 HydrophobicContact CH2-CB 4.23Å; W89-P221 HydrophobicContact CZ3-CB 4.11Å
90	L	94	Very high	89.6	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.9	171.8	-59.5	-176.1	0	0	0	109.9	Q19 L20 I22 C60 V73 T75 E88	Q19-L90 CarbonylContact C-O 3.18Å; Q19-L90 VanDerWaalsContact CA-O 3.28Å; Q19-L90 WeakPolarHBondContact CA-O 3.45Å; L20-L90 PolarHBondContact N-O 2.87Å; L20-L90 PolarHBondContact O-N 3.5Å; I22-L90 HydrophobicContact CD1-CD1 4.14Å; I22-L90 HydrophobicContact CG1-CD1 3.56Å; I22-L90 HydrophobicContact CG1-CG 3.96Å; C60-L90 HydrophobicContact CB-CD1 3.94Å; V73-L90 HydrophobicContact CG1-CB 4.39Å; V73-L90 HydrophobicContact CG1-CD2 4.34Å; T75-L90 HydrophobicContact CG2-CD1 4.02Å; T75-L90 HydrophobicContact CG2-CD2 4.12Å; T75-L90 HydrophobicContact CG2-CG 4.42Å; E88-L90 HydrophobicContact CG-CD2 4.28Å
91	R	94.2	Very high	89.9	Confident	156 Å²	156	63 Å²	63	59%	0.589	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.8	171.9	-173.7	179.6	-175.2	173.5	3.2	109.2	N17 Q19	N17-R91 HydrophobicContact CB-CG 3.82Å; N17-R91 PolarHBondContact OD1-NH2 2.96Å; Q19-R91 HydrophobicContact CG-CB 4.44Å; Q19-R91 HydrophobicContact CG-CG 4.38Å
92	L	93.8	Very high	90.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.1	179.5	-54.2	178.1	0	0	0	110.2	N17 V18 L20 C60 V62 V73 V94	N17-L92 WeakPolarHBondContact CB-O 3.28Å; N17-L92 PolarHBondContact ND2-O 2.46Å; V18-L92 HydrophobicContact CB-CB 4.45Å; V18-L92 HydrophobicContact CB-CD1 4.32Å; V18-L92 HydrophobicContact CG1-CD1 4.02Å; V18-L92 PolarHBondContact O-N 3.44Å; L20-L92 HydrophobicContact CD1-CD1 3.92Å; L20-L92 HydrophobicContact CG-CD1 4.27Å; C60-L92 HydrophobicContact CB-CD2 4.21Å; V62-L92 HydrophobicContact CG2-CD1 3.61Å; V73-L92 HydrophobicContact CB-CD2 4.26Å; V73-L92 HydrophobicContact CG2-CD2 4.16Å; L92-V94 PolarHBondContact O-N 2.73Å
93	P	93.4	Very high	91.3	Very high	72 Å²	72	55.1 Å²	55.1	47%	0.468	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	43.1	178	34.9	-34.8	0	0	0	111.5	A70 V73	A70-P93 HydrophobicContact CB-CG 3.71Å; V73-P93 HydrophobicContact CG2-CG 4.42Å
94	V	93.1	Very high	91.8	Very high	9 Å²	9	48 Å²	48	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139	176.2	-171.4	0	0	0	0	108.2	N17 V18 V62 A70 L92 D98 L99	N17-V94 WeakPolarHBondContact CA-O 3.42Å; V18-V94 PolarHBondContact N-O 2.87Å; V62-V94 HydrophobicContact CB-CG2 4.46Å; V62-V94 HydrophobicContact CG2-CG2 4.41Å; A70-V94 HydrophobicContact CB-CG2 3.2Å; L92-V94 PolarHBondContact O-N 2.73Å; V94-D98 HydrophobicContact CG1-CB 4.1Å; V94-L99 HydrophobicContact CB-CD2 4.47Å; V94-L99 HydrophobicContact CG1-CD2 3.64Å; V94-L99 HydrophobicContact CG1-CG 4.13Å
95	K	93.8	Very high	92.2	Very high	76 Å²	76	46.4 Å²	46.4	33%	0.33	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	160	176.1	-57.8	175	167.2	-166.6	0	111.1	D15 I16 P97 D98	D15-K95 VanDerWaalsContact OD1-CD 3.29Å; D15-K95 WeakPolarHBondContact OD1-CD 3.3Å; D15-K95 WeakPolarHBondContact OD1-CE 3.48Å; D15-K95 IonicContact OD1-NZ 3.35Å; D15-K95 PolarHBondContact OD1-NZ 3.38Å; D15-K95 IonicContact OD2-NZ 3.93Å; I16-K95 WeakPolarHBondContact O-CA 3.37Å; K95-P97 VanDerWaalsContact C-CD 3.4Å; K95-D98 WeakPolarHBondContact CB-OD2 3.48Å; K95-D98 PolarHBondContact O-N 3.44Å
96	Y	91.7	Very high	92.4	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.024	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-58.7	-35.7	175.8	-72.4	-84.9	0	0	0	115.3	S11 L14 I16 V18 D98 L99 F135 P221 I232	S11-Y96 CarbonylContact O-C 3.52Å; L14-Y96 HydrophobicContact CB-CD2 4.25Å; L14-Y96 HydrophobicContact CB-CG 4.28Å; L14-Y96 HydrophobicContact CD1-CG 4.5Å; I16-Y96 HydrophobicContact CD1-CD2 4.18Å; I16-Y96 HydrophobicContact CD1-CE2 3.85Å; I16-Y96 HydrophobicContact CG1-CD2 3.54Å; I16-Y96 HydrophobicContact CG1-CE2 3.63Å; I16-Y96 VanDerWaalsContact O-CD2 3.28Å; I16-Y96 WeakPolarHBondContact O-CD2 3.45Å; I16-Y96 PolarHBondContact O-N 2.98Å; V18-Y96 HydrophobicContact CG2-CD1 4.17Å; V18-Y96 HydrophobicContact CG2-CD2 4.33Å; V18-Y96 HydrophobicContact CG2-CE1 4.19Å; V18-Y96 HydrophobicContact CG2-CE2 4.34Å; V18-Y96 HydrophobicContact CG2-CG 4.24Å; Y96-D98 VanDerWaalsContact C-N 3.27Å; Y96-D98 PolarHBondContact O-N 3.03Å; Y96-L99 HydrophobicContact CD1-CD1 4.47Å; Y96-L99 PolarHBondContact O-N 2.95Å; Y96-F135 HydrophobicContact CD1-CE2 4.42Å; Y96-F135 HydrophobicContact CE1-CD1 4.24Å; Y96-F135 HydrophobicContact CE1-CD2 4.16Å; Y96-F135 AromaticContact CE1-CE1 3.97Å; Y96-F135 HydrophobicContact CE1-CE1 3.97Å; Y96-F135 AromaticContact CE1-CE2 3.86Å; Y96-F135 HydrophobicContact CE1-CE2 3.86Å; Y96-F135 HydrophobicContact CE1-CG 4.35Å; Y96-F135 AromaticContact CE1-CZ 3.78Å; Y96-F135 HydrophobicContact CE1-CZ 3.78Å; Y96-P221 WeakPolarHBondContact OH-CG 3.32Å; Y96-I232 HydrophobicContact CD1-CD1 4.09Å; Y96-I232 HydrophobicContact CD1-CG2 4.46Å; Y96-I232 HydrophobicContact CE1-CD1 3.56Å
97	P	90.7	Very high	92.5	Very high	52 Å²	52	44.3 Å²	44.3	34%	0.338	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-69.1	-26.9	178.8	-21.7	36.3	0	0	0	112.7	S11 L14 K95 L99	S11-P97 WeakPolarHBondContact O-CG 3.49Å; L14-P97 VanDerWaalsContact O-CD 3.24Å; L14-P97 WeakPolarHBondContact O-CD 3.48Å; K95-P97 VanDerWaalsContact C-CD 3.4Å; P97-L99 VanDerWaalsContact C-N 3.29Å; P97-L99 PolarHBondContact O-N 3.45Å
98	D	90.3	Very high	92.7	Very high	102 Å²	102	40.3 Å²	40.3	55%	0.545	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-84.5	-4.4	-177.5	-53.3	-35.7	0	0	0	112.6	V94 K95 Y96 P100	V94-D98 HydrophobicContact CG1-CB 4.1Å; K95-D98 WeakPolarHBondContact CB-OD2 3.48Å; K95-D98 PolarHBondContact O-N 3.44Å; Y96-D98 VanDerWaalsContact C-N 3.27Å; Y96-D98 PolarHBondContact O-N 3.03Å; D98-P100 WeakPolarHBondContact O-CD 3.31Å
99	L	90.8	Very high	92.7	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	19%	0.189	C	C	.	.			trans	-86.7	117.5	-178.6	-72.2	-179.4	0	0	0	111.2	V18 V62 V94 Y96 P97 A103 L128 F129 F135 Y234	V18-L99 HydrophobicContact CG2-CD1 3.5Å; V18-L99 VanDerWaalsContact CG2-CD1 3.5Å; V18-L99 HydrophobicContact CG2-CG 4.12Å; V62-L99 HydrophobicContact CG1-CD2 3.9Å; V94-L99 HydrophobicContact CB-CD2 4.47Å; V94-L99 HydrophobicContact CG1-CD2 3.64Å; V94-L99 HydrophobicContact CG1-CG 4.13Å; Y96-L99 HydrophobicContact CD1-CD1 4.47Å; Y96-L99 PolarHBondContact O-N 2.95Å; P97-L99 VanDerWaalsContact C-N 3.29Å; P97-L99 PolarHBondContact O-N 3.45Å; L99-A103 HydrophobicContact CB-CB 4.42Å; L99-A103 HydrophobicContact CD2-CB 4.05Å; L99-L128 HydrophobicContact CD1-CD1 3.8Å; L99-L128 HydrophobicContact CD2-CD1 3.81Å; L99-L128 HydrophobicContact CG-CD1 4.46Å; L99-F129 HydrophobicContact CB-CE2 3.86Å; L99-F129 HydrophobicContact CB-CZ 4.2Å; L99-F129 HydrophobicContact CD1-CE2 4.32Å; L99-F129 HydrophobicContact CD1-CZ 4.39Å; L99-F135 HydrophobicContact CD1-CE2 4.24Å; L99-Y234 WeakPolarHBondContact O-CE2 3.47Å
100	P	90.8	Very high	92.5	Very high	36 Å²	36	34.6 Å²	34.6	23%	0.234	18%	0.176	C	C	.	.			trans	-70.4	162.3	170.9	29.9	-35	0	0	0	111.6	A64 L69 D98 S102 A103 F129	A64-P100 HydrophobicContact CB-CG 3.44Å; A64-P100 VanDerWaalsContact CB-CG 3.44Å; L69-P100 HydrophobicContact CD1-CG 4.09Å; D98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-S102 PolarHBondContact O-N 2.84Å; P100-A103 HydrophobicContact CG-CB 4.18Å; P100-A103 WeakPolarHBondContact O-CB 3.43Å; P100-A103 PolarHBondContact O-N 2.79Å; P100-F129 WeakPolarHBondContact O-CD2 3.44Å; P100-F129 WeakPolarHBondContact O-CE2 3.41Å
101	Q	88.6	Confident	92.1	Very high	103 Å²	103	34.6 Å²	34.6	48%	0.481	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.7	177.5	-169.1	-178	14.3	0	0	112.8	A103 Y234	Q101-A103 PolarHBondContact O-N 2.82Å; Q101-Y234 HydrophobicContact CB-CD1 3.97Å; Q101-Y234 HydrophobicContact CB-CD2 4.26Å; Q101-Y234 HydrophobicContact CB-CE1 3.89Å; Q101-Y234 HydrophobicContact CB-CE2 4.17Å; Q101-Y234 HydrophobicContact CB-CG 4.14Å; Q101-Y234 HydrophobicContact CG-CD1 4.26Å; Q101-Y234 HydrophobicContact CG-CG 4.41Å; Q101-Y234 VanDerWaalsContact N-CE2 3.31Å
102	S	89.1	Confident	91.4	Very high	35 Å²	35	30.9 Å²	30.9	25%	0.245	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-2	178.1	56	0	0	0	0	113.8	P100 Q104	P100-S102 PolarHBondContact O-N 2.84Å; S102-Q104 VanDerWaalsContact O-CG 3.25Å; S102-Q104 WeakPolarHBondContact O-CG 3.41Å; S102-Q104 PolarHBondContact O-N 3.36Å
103	A	92.4	Very high	90.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.			trans	-58.7	131.8	-173.9	0	0	0	0	0	112.8	F63 L99 P100 Q101 L128	F63-A103 WeakPolarHBondContact O-CA 3.39Å; L99-A103 HydrophobicContact CB-CB 4.42Å; L99-A103 HydrophobicContact CD2-CB 4.05Å; P100-A103 HydrophobicContact CG-CB 4.18Å; P100-A103 WeakPolarHBondContact O-CB 3.43Å; P100-A103 PolarHBondContact O-N 2.79Å; Q101-A103 PolarHBondContact O-N 2.82Å; A103-L128 HydrophobicContact CB-CB 4.46Å; A103-L128 HydrophobicContact CB-CD1 4.01Å; A103-L128 WeakPolarHBondContact O-CB 3.45Å; A103-L128 PolarHBondContact O-N 2.73Å
104	Q	93.3	Very high	89.1	Confident	21 Å²	21	29.4 Å²	29.4	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.5	177.7	-45.3	-172	4.2	0	0	109.7	V62 F63 S102 T125 V126 T127	V62-Q104 CarbonylContact C-O 3.55Å; V62-Q104 WeakPolarHBondContact CA-O 3.11Å; F63-Q104 PolarHBondContact N-O 2.86Å; F63-Q104 PolarHBondContact O-N 3.43Å; S102-Q104 VanDerWaalsContact O-CG 3.25Å; S102-Q104 WeakPolarHBondContact O-CG 3.41Å; S102-Q104 PolarHBondContact O-N 3.36Å; Q104-T125 HydrophobicContact CB-CG2 3.97Å; Q104-V126 CarbonylContact C-O 3.23Å; Q104-V126 WeakPolarHBondContact CA-O 3.47Å; Q104-T127 HydrophobicContact CG-CG2 4.24Å
105	V	94.2	Very high	87.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	173	63.1	0	0	0	0	109.3	L20 C60 Q61 L107 T125 V126 L128	L20-V105 HydrophobicContact CD1-CB 4.34Å; L20-V105 HydrophobicContact CD1-CG1 4.07Å; L20-V105 HydrophobicContact CD1-CG2 3.8Å; C60-V105 WeakPolarHBondContact SG-CG2 3.35Å; Q61-V105 WeakPolarHBondContact O-CA 3.44Å; V105-L107 HydrophobicContact CG1-CD1 4.25Å; V105-L107 HydrophobicContact CG2-CD1 4.38Å; V105-T125 WeakPolarHBondContact O-CA 3.31Å; V105-V126 HydrophobicContact CG1-CG1 3.43Å; V105-V126 VanDerWaalsContact CG1-CG1 3.43Å; V105-V126 PolarHBondContact N-O 2.9Å; V105-V126 PolarHBondContact O-N 3.35Å; V105-L128 HydrophobicContact CB-CD2 3.9Å; V105-L128 HydrophobicContact CB-CG 4.37Å; V105-L128 HydrophobicContact CG1-CD2 3.64Å; V105-L128 HydrophobicContact CG1-CG 4.42Å
106	A	94.9	Very high	86.8	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	174	0	0	0	0	0	109	C60 Q61 F63	C60-A106 WeakPolarHBondContact CA-O 3.44Å; Q61-A106 PolarHBondContact N-O 3.4Å; Q61-A106 PolarHBondContact O-N 3.3Å; F63-A106 HydrophobicContact CD2-CB 3.89Å; F63-A106 HydrophobicContact CE2-CB 3.78Å
107	L	95.1	Very high	86.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.4	175.3	-56.8	104.2	0	0	0	109.5	I22 V58 T59 C60 V105 G123 T124 V126 L142 L216 V218	I22-L107 HydrophobicContact CD1-CD2 3.41Å; I22-L107 VanDerWaalsContact CD1-CD2 3.41Å; V58-L107 HydrophobicContact CG1-CB 4.21Å; V58-L107 HydrophobicContact CG1-CD2 4.21Å; T59-L107 CarbonylContact O-C 3.6Å; T59-L107 VanDerWaalsContact O-CA 3.23Å; T59-L107 WeakPolarHBondContact O-CA 3.39Å; C60-L107 HydrophobicContact CB-CD2 4.37Å; V105-L107 HydrophobicContact CG1-CD1 4.25Å; V105-L107 HydrophobicContact CG2-CD1 4.38Å; L107-G123 CarbonylContact O-C 3.55Å; L107-G123 WeakPolarHBondContact O-CA 3.43Å; L107-T124 HydrophobicContact CB-CG2 3.86Å; L107-T124 HydrophobicContact CD1-CG2 4.12Å; L107-T124 PolarHBondContact N-O 3.3Å; L107-T124 PolarHBondContact O-N 3.02Å; L107-V126 HydrophobicContact CD1-CG1 4.46Å; L107-L142 HydrophobicContact CD1-CD1 4.09Å; L107-L216 HydrophobicContact CB-CD2 4.22Å; L107-L216 HydrophobicContact CD2-CD2 4.11Å; L107-V218 HydrophobicContact CD2-CG2 4.07Å
108	T	94.4	Very high	85.9	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.5	176.5	-54.9	0	0	0	0	109.4	V58 T59 W110 P120 E149 G150	V58-T108 CarbonylContact C-O 3.56Å; V58-T108 WeakPolarHBondContact CA-O 3.26Å; T59-T108 PolarHBondContact N-O 3.17Å; T59-T108 PolarHBondContact O-N 2.89Å; T59-T108 PolarHBondContact OG1-O 3.03Å; T108-W110 HydrophobicContact CG2-CD2 4.19Å; T108-W110 HydrophobicContact CG2-CZ2 3.79Å; T108-W110 VanDerWaalsContact O-CD1 3.24Å; T108-P120 HydrophobicContact CG2-CB 4Å; T108-E149 HydrophobicContact CG2-CB 4.28Å; T108-E149 HydrophobicContact CG2-CG 4.14Å; T108-G150 PolarHBondContact OG1-N 3.37Å
109	V	93.1	Very high	85.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.2	173.9	-174.1	0	0	0	0	108.4	L25 L56 V58 V121 G122 V144	L25-V109 HydrophobicContact CD2-CG1 4.08Å; L56-V109 HydrophobicContact CB-CG1 4.25Å; L56-V109 HydrophobicContact CD1-CG1 3.98Å; V58-V109 HydrophobicContact CG2-CG2 4.2Å; V109-V121 HydrophobicContact CB-CB 4.27Å; V109-V121 HydrophobicContact CG1-CB 4.15Å; V109-V121 HydrophobicContact CG1-CG2 4.45Å; V109-V121 PolarHBondContact O-N 3.18Å; V109-G122 PolarHBondContact N-O 2.87Å; V109-G122 PolarHBondContact O-N 3.33Å; V109-V144 HydrophobicContact CG2-CG1 4.49Å
110	W	90.6	Very high	85.6	Confident	35 Å²	35	41.1 Å²	41.1	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.2	-175.8	-65.1	91.8	0	0	0	111.4	L56 Y57 T59 T108 A118 P120 E149	L56-W110 WeakPolarHBondContact CA-O 3.45Å; L56-W110 WeakPolarHBondContact CD2-O 3.42Å; Y57-W110 HydrophobicContact CD1-CB 3.92Å; Y57-W110 HydrophobicContact CD2-CB 4.05Å; Y57-W110 HydrophobicContact CD2-CG 4.29Å; Y57-W110 HydrophobicContact CE1-CB 3.47Å; Y57-W110 VanDerWaalsContact CE1-CB 3.47Å; Y57-W110 HydrophobicContact CE1-CG 4.27Å; Y57-W110 HydrophobicContact CE2-CB 3.6Å; Y57-W110 AromaticContact CE2-CD1 3.46Å; Y57-W110 VanDerWaalsContact CE2-CD1 3.46Å; Y57-W110 AromaticContact CE2-CG 3.59Å; Y57-W110 HydrophobicContact CE2-CG 3.59Å; Y57-W110 HydrophobicContact CG-CB 4.19Å; Y57-W110 AromaticContact CZ-CD1 3.96Å; Y57-W110 AromaticContact CZ-CG 3.58Å; Y57-W110 PolarHBondContact N-O 3.5Å; Y57-W110 VanDerWaalsContact N-O 3.14Å; Y57-W110 PolarHBondContact O-N 2.95Å; T59-W110 PolarHBondContact OG1-NE1 2.91Å; T108-W110 HydrophobicContact CG2-CD2 4.19Å; T108-W110 HydrophobicContact CG2-CZ2 3.79Å; T108-W110 VanDerWaalsContact O-CD1 3.24Å; W110-A118 HydrophobicContact CB-CB 4.4Å; W110-A118 HydrophobicContact CD2-CB 4.35Å; W110-A118 HydrophobicContact CE3-CB 3.68Å; W110-A118 HydrophobicContact CZ3-CB 4.35Å; W110-P120 HydrophobicContact CE3-CB 4.37Å; W110-P120 HydrophobicContact CZ3-CB 4.22Å; W110-P120 HydrophobicContact CZ3-CG 4.37Å; W110-E149 HydrophobicContact CH2-CG 4.12Å; W110-E149 VanDerWaalsContact CH2-OE1 3.23Å; W110-E149 WeakPolarHBondContact CH2-OE1 3.43Å; W110-E149 HydrophobicContact CZ2-CG 4.31Å
111	D	86.6	Confident	85.5	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	133.9	168.8	-172.9	15.2	0	0	0	109.9	R29 S46 L56 Y113 A118 V119 V121	R29-D111 IonicContact CZ-OD2 3.25Å; R29-D111 IonicContact NH1-OD2 2.83Å; R29-D111 PolarHBondContact NH1-OD2 3.41Å; R29-D111 IonicContact NH2-OD2 3.62Å; R29-D111 PolarHBondContact NH2-OD2 2.91Å; S46-D111 PolarHBondContact OG-OD2 2.93Å; L56-D111 HydrophobicContact CD2-CB 3.74Å; D111-Y113 PolarHBondContact O-N 3.01Å; D111-A118 WeakPolarHBondContact O-CA 3.45Å; D111-V119 PolarHBondContact N-O 3.43Å; D111-V119 PolarHBondContact O-N 2.97Å; D111-V121 HydrophobicContact CB-CG2 3.54Å
112	I	79.4	Confident	85.6	Confident	79 Å²	79	35.2 Å²	35.2	41%	0.405	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	98.7	179.3	-56.4	170.9	0	0	0	107.4	Y57	Y57-I112 HydrophobicContact CD1-CD1 4.21Å; Y57-I112 HydrophobicContact CD1-CG1 3.96Å; Y57-I112 HydrophobicContact CE1-CD1 4.47Å; Y57-I112 HydrophobicContact CE1-CG1 3.88Å
113	Y	70.3	Confident	85.8	Confident	19 Å²	19	33.5 Å²	33.5	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-17.1	-172.5	-165.2	-100.7	0	0	0	113.3	D40 M42 L43 D111 R117 V119	D40-Y113 WeakPolarHBondContact OD2-CE1 3.49Å; D40-Y113 PolarHBondContact OD2-OH 2.83Å; M42-Y113 HydrophobicContact CB-CE1 3.79Å; M42-Y113 HydrophobicContact CG-CD1 4.3Å; M42-Y113 HydrophobicContact CG-CE1 3.88Å; L43-Y113 WeakPolarHBondContact CA-OH 3.13Å; L43-Y113 HydrophobicContact CD2-CE2 3.85Å; L43-Y113 WeakPolarHBondContact CD2-OH 3.4Å; L43-Y113 HydrophobicContact CG-CE2 4.35Å; L43-Y113 WeakPolarHBondContact CG-OH 3.33Å; L43-Y113 PolarHBondContact N-OH 2.97Å; D111-Y113 PolarHBondContact O-N 3.01Å; Y113-R117 PolarHBondContact N-O 3.32Å; Y113-V119 HydrophobicContact CG-CG2 4.11Å
114	G	67.9	Low	85.8	Confident	24 Å²	24	33.6 Å²	33.6	25%	0.247	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-179.4	178.4	0	0	0	0	0	112	G116 R117	G114-G116 PolarHBondContact O-N 3.32Å; G114-G116 VanDerWaalsContact O-N 3.08Å; G114-R117 PolarHBondContact N-O 2.9Å; G114-R117 PolarHBondContact O-N 3.35Å; G114-R117 VanDerWaalsContact O-N 3.11Å
115	P	68.5	Low	85.8	Confident	140 Å²	140	32.8 Å²	32.8	91%	0.909	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	115.9	179.5	23.1	-31.3	0	0	0	110.6	R117	P115-R117 VanDerWaalsContact C-N 3.25Å; P115-R117 PolarHBondContact O-N 3.27Å
116	G	69.8	Low	85.7	Confident	95 Å²	95	33 Å²	33	98%	0.979	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	5.5	179.4	0	0	0	0	0	115.8	G114	G114-G116 PolarHBondContact O-N 3.32Å; G114-G116 VanDerWaalsContact O-N 3.08Å
117	R	80.4	Confident	85.6	Confident	150 Å²	150	35 Å²	35	57%	0.566	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	110	-178.7	-168.9	176.8	-178.3	-167.3	-0.8	111.2	Y113 G114 P115	Y113-R117 PolarHBondContact N-O 3.32Å; G114-R117 PolarHBondContact N-O 2.9Å; G114-R117 PolarHBondContact O-N 3.35Å; G114-R117 VanDerWaalsContact O-N 3.11Å; P115-R117 VanDerWaalsContact C-N 3.25Å; P115-R117 PolarHBondContact O-N 3.27Å
118	A	83.9	Confident	85.5	Confident	35 Å²	35	35 Å²	35	29%	0.289	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.8	170.3	0	0	0	0	0	109.9	Y57 W110 D111	Y57-A118 HydrophobicContact CE1-CB 4.25Å; Y57-A118 WeakPolarHBondContact OH-CB 3.33Å; W110-A118 HydrophobicContact CB-CB 4.4Å; W110-A118 HydrophobicContact CD2-CB 4.35Å; W110-A118 HydrophobicContact CE3-CB 3.68Å; W110-A118 HydrophobicContact CZ3-CB 4.35Å; D111-A118 WeakPolarHBondContact O-CA 3.45Å
119	V	86.4	Confident	85.3	Confident	44 Å²	44	34.9 Å²	34.9	27%	0.267	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.5	177.9	178.3	0	0	0	0	108.5	D111 Y113 V121	D111-V119 PolarHBondContact N-O 3.43Å; D111-V119 PolarHBondContact O-N 2.97Å; Y113-V119 HydrophobicContact CG-CG2 4.11Å; V119-V121 PolarHBondContact O-N 3.3Å
120	P	88.9	Confident	85	Confident	28 Å²	28	36 Å²	36	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121.5	177.3	28	-33.6	0	0	0	109.6	T108 W110 E149	T108-P120 HydrophobicContact CG2-CB 4Å; W110-P120 HydrophobicContact CE3-CB 4.37Å; W110-P120 HydrophobicContact CZ3-CB 4.22Å; W110-P120 HydrophobicContact CZ3-CG 4.37Å; P120-E149 HydrophobicContact CB-CG 3.81Å; P120-E149 HydrophobicContact CG-CG 3.94Å
121	V	87.9	Confident	84.6	Confident	15 Å²	15	43.3 Å²	43.3	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-39	168.5	-179.4	0	0	0	0	109.2	L56 V109 D111 V119 G147 M214	L56-V121 HydrophobicContact CD2-CG2 3.87Å; V109-V121 HydrophobicContact CB-CB 4.27Å; V109-V121 HydrophobicContact CG1-CB 4.15Å; V109-V121 HydrophobicContact CG1-CG2 4.45Å; V109-V121 PolarHBondContact O-N 3.18Å; D111-V121 HydrophobicContact CB-CG2 3.54Å; V119-V121 PolarHBondContact O-N 3.3Å; V121-G147 PolarHBondContact O-N 3.42Å; V121-M214 HydrophobicContact CG1-CE 4.19Å; V121-M214 HydrophobicContact CG1-SD 4.07Å
122	G	90	Very high	84.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	166.2	172.4	0	0	0	0	0	113.9	V109 W145 V148	V109-G122 PolarHBondContact N-O 2.87Å; V109-G122 PolarHBondContact O-N 3.33Å; G122-W145 CarbonylContact C-O 3.5Å; G122-W145 WeakPolarHBondContact CA-O 3.22Å; G122-V148 CarbonylContact C-O 3.6Å; G122-V148 WeakPolarHBondContact CA-O 3.44Å
123	G	92.8	Very high	84.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150.3	-170.5	0	0	0	0	0	111.9	L107 W145 V148	L107-G123 CarbonylContact O-C 3.55Å; L107-G123 WeakPolarHBondContact O-CA 3.43Å; G123-W145 PolarHBondContact N-O 3.34Å; G123-W145 PolarHBondContact O-N 2.9Å; G123-V148 VanDerWaalsContact CA-O 3.32Å; G123-V148 WeakPolarHBondContact CA-O 3.5Å; G123-V148 PolarHBondContact N-O 2.97Å
124	T	93.7	Very high	85.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	132.4	176.4	-168.4	0	0	0	0	110.7	L107 L142 K143 V144 G160 L216	L107-T124 HydrophobicContact CB-CG2 3.86Å; L107-T124 HydrophobicContact CD1-CG2 4.12Å; L107-T124 PolarHBondContact N-O 3.3Å; L107-T124 PolarHBondContact O-N 3.02Å; T124-L142 HydrophobicContact CG2-CB 4.17Å; T124-L142 HydrophobicContact CG2-CD1 4.29Å; T124-K143 VanDerWaalsContact CB-O 3.23Å; T124-K143 WeakPolarHBondContact CB-O 3.26Å; T124-K143 PolarHBondContact OG1-O 3.03Å; T124-V144 HydrophobicContact CG2-CG2 4.27Å; T124-G160 WeakPolarHBondContact OG1-CA 3.32Å; T124-L216 HydrophobicContact CG2-CD2 4.34Å
125	T	93.4	Very high	86.7	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.025	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.7	179	-61.4	0	0	0	0	110.6	Q104 V105 D151 T156 T158 G160	Q104-T125 HydrophobicContact CB-CG2 3.97Å; V105-T125 WeakPolarHBondContact O-CA 3.31Å; T125-D151 WeakPolarHBondContact CB-O 3.5Å; T125-D151 WeakPolarHBondContact CG2-O 3.49Å; T125-D151 PolarHBondContact OG1-N 2.86Å; T125-D151 PolarHBondContact OG1-O 3.16Å; T125-T156 HydrophobicContact CG2-CG2 4.42Å; T125-T158 PolarHBondContact N-O 3.43Å; T125-T158 PolarHBondContact OG1-OG1 2.86Å; T125-G160 PolarHBondContact O-N 3.17Å
126	V	92.4	Very high	87.6	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.3	178.7	64.2	0	0	0	0	111.2	Q104 V105 L107 L142 F220	Q104-V126 CarbonylContact C-O 3.23Å; Q104-V126 WeakPolarHBondContact CA-O 3.47Å; V105-V126 HydrophobicContact CG1-CG1 3.43Å; V105-V126 VanDerWaalsContact CG1-CG1 3.43Å; V105-V126 PolarHBondContact N-O 2.9Å; V105-V126 PolarHBondContact O-N 3.35Å; L107-V126 HydrophobicContact CD1-CG1 4.46Å; V126-L142 HydrophobicContact CB-CD1 4.13Å; V126-L142 HydrophobicContact CB-CD2 4.1Å; V126-L142 HydrophobicContact CG1-CD1 3.71Å; V126-L142 HydrophobicContact CG1-CD2 4.42Å; V126-L142 HydrophobicContact CG2-CD2 4.02Å; V126-F220 HydrophobicContact CG1-CZ 3.92Å
127	T	92.3	Very high	88.5	Confident	48 Å²	48	43.7 Å²	43.7	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.1	175.5	68.8	0	0	0	0	110.8	Q104 F129 R136	Q104-T127 HydrophobicContact CG-CG2 4.24Å; T127-F129 WeakPolarHBondContact CB-O 3.17Å; T127-F129 PolarHBondContact OG1-O 2.72Å; T127-R136 WeakPolarHBondContact O-CD 3.4Å; T127-R136 PolarHBondContact O-NE 3.3Å; T127-R136 PolarHBondContact OG1-NH2 3.36Å
128	L	91.8	Very high	88.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-73.7	-40	175.8	-68.7	-179.1	0	0	0	111.3	V62 L99 A103 V105 F135 R136 F220	V62-L128 HydrophobicContact CG1-CD1 4.07Å; L99-L128 HydrophobicContact CD1-CD1 3.8Å; L99-L128 HydrophobicContact CD2-CD1 3.81Å; L99-L128 HydrophobicContact CG-CD1 4.46Å; A103-L128 HydrophobicContact CB-CB 4.46Å; A103-L128 HydrophobicContact CB-CD1 4.01Å; A103-L128 WeakPolarHBondContact O-CB 3.45Å; A103-L128 PolarHBondContact O-N 2.73Å; V105-L128 HydrophobicContact CB-CD2 3.9Å; V105-L128 HydrophobicContact CB-CG 4.37Å; V105-L128 HydrophobicContact CG1-CD2 3.64Å; V105-L128 HydrophobicContact CG1-CG 4.42Å; L128-F135 HydrophobicContact CB-CD2 4.32Å; L128-F135 HydrophobicContact CB-CE2 3.93Å; L128-F135 HydrophobicContact CD2-CE2 4.24Å; L128-F135 HydrophobicContact CD2-CZ 4.45Å; L128-F135 HydrophobicContact CG-CE2 4.47Å; L128-R136 PolarHBondContact O-N 3.31Å; L128-F220 HydrophobicContact CD2-CE1 3.85Å
129	F	91.6	Very high	88.9	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.026	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-99	143.6	173.5	-60.5	-79	0	0	0	111.5	L99 P100 T127 G133 F135 Y234	L99-F129 HydrophobicContact CB-CE2 3.86Å; L99-F129 HydrophobicContact CB-CZ 4.2Å; L99-F129 HydrophobicContact CD1-CE2 4.32Å; L99-F129 HydrophobicContact CD1-CZ 4.39Å; P100-F129 WeakPolarHBondContact O-CD2 3.44Å; P100-F129 WeakPolarHBondContact O-CE2 3.41Å; T127-F129 WeakPolarHBondContact CB-O 3.17Å; T127-F129 PolarHBondContact OG1-O 2.72Å; F129-G133 WeakPolarHBondContact CD1-O 3.36Å; F129-F135 HydrophobicContact CD1-CB 4.08Å; F129-F135 HydrophobicContact CD1-CD2 4.24Å; F129-F135 HydrophobicContact CE1-CB 3.98Å; F129-F135 AromaticContact CE1-CD2 3.9Å; F129-F135 HydrophobicContact CE1-CD2 3.9Å; F129-F135 HydrophobicContact CE1-CG 4.44Å; F129-F135 HydrophobicContact CZ-CD2 4.18Å; F129-Y234 HydrophobicContact CE1-CD2 4.44Å; F129-Y234 HydrophobicContact CE2-CD2 4.15Å; F129-Y234 HydrophobicContact CZ-CD2 4.05Å
130	G	85.6	Confident	88.9	Confident	24 Å²	24	38.9 Å²	38.9	25%	0.247	19%	0.187	C	C	.	.			trans	-81.3	178	171.3	0	0	0	0	0	112.5	Y132 G133 M134	G130-Y132 PolarHBondContact O-N 2.97Å; G130-G133 PolarHBondContact O-N 3.41Å; G130-M134 PolarHBondContact N-O 3.27Å
131	K	82.8	Confident	88.8	Confident	189 Å²	189	40 Å²	40	82%	0.822	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.8	179.4	-173.4	176	179.8	179.7	0	114.2
132	Y	83.3	Confident	88.9	Confident	201 Å²	201	39.3 Å²	39.3	79%	0.788	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	17.7	-178.7	-55.2	-72.9	0	0	0	113.2	G130 M134	G130-Y132 PolarHBondContact O-N 2.97Å; Y132-M134 PolarHBondContact O-N 3.29Å; Y132-M134 VanDerWaalsContact O-N 3.14Å
133	G	84.2	Confident	88.9	Confident	5 Å²	5	40.7 Å²	40.7	5%	0.052	19%	0.193	C	C	.	.	S	Bend	trans	71.2	5.7	-179.3	0	0	0	0	0	114.7	F129 G130 Y234	F129-G133 WeakPolarHBondContact CD1-O 3.36Å; G130-G133 PolarHBondContact O-N 3.41Å; G133-Y234 WeakPolarHBondContact O-CB 3.49Å; G133-Y234 PolarHBondContact O-N 3.22Å
134	M	89.1	Confident	88.8	Confident	67 Å²	67	40.9 Å²	40.9	33%	0.33	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-80.4	127.5	175.4	-170.9	-178.9	-59	0	0	110.3	F6 G130 Y132 I232	F6-M134 HydrophobicContact CE2-CE 3.86Å; F6-M134 HydrophobicContact CZ-CE 3.54Å; G130-M134 PolarHBondContact N-O 3.27Å; Y132-M134 PolarHBondContact O-N 3.29Å; Y132-M134 VanDerWaalsContact O-N 3.14Å; M134-I232 WeakPolarHBondContact CA-O 3.42Å
135	F	91.4	Very high	88.6	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-61.9	140	173.2	-169.7	-100.8	0	0	0	110	V18 Y96 L99 L128 F129 F220 P221 I232	V18-F135 HydrophobicContact CG1-CZ 4.09Å; Y96-F135 HydrophobicContact CD1-CE2 4.42Å; Y96-F135 HydrophobicContact CE1-CD1 4.24Å; Y96-F135 HydrophobicContact CE1-CD2 4.16Å; Y96-F135 AromaticContact CE1-CE1 3.97Å; Y96-F135 HydrophobicContact CE1-CE1 3.97Å; Y96-F135 AromaticContact CE1-CE2 3.86Å; Y96-F135 HydrophobicContact CE1-CE2 3.86Å; Y96-F135 HydrophobicContact CE1-CG 4.35Å; Y96-F135 AromaticContact CE1-CZ 3.78Å; Y96-F135 HydrophobicContact CE1-CZ 3.78Å; L99-F135 HydrophobicContact CD1-CE2 4.24Å; L128-F135 HydrophobicContact CB-CD2 4.32Å; L128-F135 HydrophobicContact CB-CE2 3.93Å; L128-F135 HydrophobicContact CD2-CE2 4.24Å; L128-F135 HydrophobicContact CD2-CZ 4.45Å; L128-F135 HydrophobicContact CG-CE2 4.47Å; F129-F135 HydrophobicContact CD1-CB 4.08Å; F129-F135 HydrophobicContact CD1-CD2 4.24Å; F129-F135 HydrophobicContact CE1-CB 3.98Å; F129-F135 AromaticContact CE1-CD2 3.9Å; F129-F135 HydrophobicContact CE1-CD2 3.9Å; F129-F135 HydrophobicContact CE1-CG 4.44Å; F129-F135 HydrophobicContact CZ-CD2 4.18Å; F135-F220 HydrophobicContact CE1-CD1 4.06Å; F135-F220 HydrophobicContact CZ-CD1 4.16Å; F135-P221 HydrophobicContact CE1-CG 4.03Å; F135-I232 HydrophobicContact CB-CB 3.74Å; F135-I232 HydrophobicContact CB-CG2 4.16Å; F135-I232 HydrophobicContact CD1-CD1 4.17Å; F135-I232 HydrophobicContact CG-CB 4.47Å; F135-I232 HydrophobicContact CG-CD1 4.49Å; F135-I232 PolarHBondContact N-O 3.11Å
136	R	88.8	Confident	88.4	Confident	51 Å²	51	48.1 Å²	48.1	19%	0.192	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.1	143.6	178.7	-70.8	-172.9	-174.1	-86.6	-4.1	110.9	T127 L128 F220	T127-R136 WeakPolarHBondContact O-CD 3.4Å; T127-R136 PolarHBondContact O-NE 3.3Å; T127-R136 PolarHBondContact OG1-NH2 3.36Å; L128-R136 PolarHBondContact O-N 3.31Å; R136-F220 HydrophobicContact CB-CB 4.49Å; R136-F220 HydrophobicContact CB-CD1 3.73Å; R136-F220 HydrophobicContact CB-CD2 4.2Å; R136-F220 HydrophobicContact CB-CE1 3.91Å; R136-F220 HydrophobicContact CB-CE2 4.35Å; R136-F220 HydrophobicContact CB-CG 3.89Å; R136-F220 HydrophobicContact CB-CZ 4.22Å; R136-F220 WeakPolarHBondContact O-CB 3.4Å
137	Q	88.1	Confident	88	Confident	42 Å²	42	50.4 Å²	50.4	20%	0.196	26%	0.257	C	S	.	.			trans	-137	150.2	-178.6	-64.3	-170.6	-17.8	0	0	111.2	H140 R222 Y230	Q137-H140 PolarHBondContact O-NE2 3.32Å; Q137-R222 HydrophobicContact CB-CG 4.26Å; Q137-Y230 PolarHBondContact NE2-O 3.18Å
138	G	85.7	Confident	87.9	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.2	-165.2	177.5	0	0	0	0	0	114.1	H140 E219 F220	G138-H140 PolarHBondContact O-CD2 3.25Å; G138-H140 VanDerWaalsContact O-CD2 3.24Å; G138-E219 WeakPolarHBondContact O-CA 3.49Å; G138-F220 PolarHBondContact N-O 3.15Å; G138-F220 PolarHBondContact O-N 3.44Å
139	M	86.2	Confident	87.9	Confident	98 Å²	98	56.4 Å²	56.4	48%	0.483	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.1	-174.3	-64.3	158.7	176.6	0	0	111.6	M217 E219	M139-M217 HydrophobicContact CB-SD 4.45Å; M139-M217 HydrophobicContact CG-SD 4.25Å; M139-E219 HydrophobicContact CG-CB 4.03Å; M139-E219 HydrophobicContact CG-CG 4.34Å
140	H	86.8	Confident	87.7	Confident	28 Å²	28	56.7 Å²	56.7	13%	0.13	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.7	174.7	-63.6	-99.6	0	0	0	109.5	Q137 G138 L142 R161 M217 V218 F220	Q137-H140 PolarHBondContact O-NE2 3.32Å; G138-H140 PolarHBondContact O-CD2 3.25Å; G138-H140 VanDerWaalsContact O-CD2 3.24Å; H140-L142 HydrophobicContact CB-CD2 4.16Å; H140-R161 PolarHBondContact ND1-NH1 3.23Å; H140-M217 WeakPolarHBondContact O-CA 3.39Å; H140-V218 PolarHBondContact N-O 2.93Å; H140-V218 PolarHBondContact O-N 3.28Å; H140-F220 HydrophobicContact CB-CE2 4.47Å; H140-F220 AromaticContact CD2-CD2 3.52Å; H140-F220 AromaticContact CD2-CE2 3.88Å
141	D	87.5	Confident	87.7	Confident	52 Å²	52	57.4 Å²	57.4	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116	168.6	-70.7	-36.4	0	0	0	108.8	K208	D141-K208 IonicContact OD1-NZ 3.41Å; D141-K208 PolarHBondContact OD1-NZ 3.32Å; D141-K208 VanDerWaalsContact OD2-CE 3.29Å; D141-K208 WeakPolarHBondContact OD2-CE 3.32Å; D141-K208 IonicContact OD2-NZ 2.84Å; D141-K208 PolarHBondContact OD2-NZ 3.03Å
142	L	89.5	Confident	87.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.8	-177.5	-56.8	-179.2	0	0	0	110.3	L107 T124 V126 H140 V144 R161 Y215 L216 V218	L107-L142 HydrophobicContact CD1-CD1 4.09Å; T124-L142 HydrophobicContact CG2-CB 4.17Å; T124-L142 HydrophobicContact CG2-CD1 4.29Å; V126-L142 HydrophobicContact CB-CD1 4.13Å; V126-L142 HydrophobicContact CB-CD2 4.1Å; V126-L142 HydrophobicContact CG1-CD1 3.71Å; V126-L142 HydrophobicContact CG1-CD2 4.42Å; V126-L142 HydrophobicContact CG2-CD2 4.02Å; H140-L142 HydrophobicContact CB-CD2 4.16Å; L142-V144 PolarHBondContact O-N 3.19Å; L142-R161 HydrophobicContact CD2-CG 4.11Å; L142-Y215 CarbonylContact O-C 3.54Å; L142-Y215 VanDerWaalsContact O-CA 3.27Å; L142-Y215 WeakPolarHBondContact O-CA 3.23Å; L142-L216 PolarHBondContact N-O 3.34Å; L142-L216 PolarHBondContact O-N 3.06Å; L142-V218 HydrophobicContact CD1-CB 4.11Å; L142-V218 HydrophobicContact CD1-CG2 3.7Å; L142-V218 HydrophobicContact CG-CG2 4.39Å
143	K	89.8	Confident	87.6	Confident	30 Å²	30	40 Å²	40	13%	0.13	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.2	175.2	-174.3	-175	-179.3	-175.3	0	110.2	T124 G160 F213 Y215	T124-K143 VanDerWaalsContact CB-O 3.23Å; T124-K143 WeakPolarHBondContact CB-O 3.26Å; T124-K143 PolarHBondContact OG1-O 3.03Å; K143-G160 PolarHBondContact N-O 3.06Å; K143-F213 HydrophobicContact CD-CD1 4.37Å; K143-F213 HydrophobicContact CD-CG 4.26Å; K143-F213 VanDerWaalsContact CE-CE2 3.43Å; K143-F213 VanDerWaalsContact CE-CZ 3.49Å; K143-F213 HydrophobicContact CG-CB 4.03Å; K143-F213 HydrophobicContact CG-CD1 4.31Å; K143-F213 HydrophobicContact CG-CG 4.18Å; K143-Y215 HydrophobicContact CB-CE1 4.26Å
144	V	90.9	Very high	87.4	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.2	178.8	-177.5	0	0	0	0	109.5	L25 V109 T124 L142 M214 L216	L25-V144 HydrophobicContact CD1-CG2 4.22Å; V109-V144 HydrophobicContact CG2-CG1 4.49Å; T124-V144 HydrophobicContact CG2-CG2 4.27Å; L142-V144 PolarHBondContact O-N 3.19Å; V144-M214 HydrophobicContact CB-CB 4.13Å; V144-M214 PolarHBondContact N-O 3.01Å; V144-L216 HydrophobicContact CG2-CB 3.71Å
145	W	89.7	Confident	87	Confident	71 Å²	71	47.7 Å²	47.7	27%	0.269	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.4	-179.7	-68.3	85.4	0	0	0	110.3	G122 G123 T158 P159 F213	G122-W145 CarbonylContact C-O 3.5Å; G122-W145 WeakPolarHBondContact CA-O 3.22Å; G123-W145 PolarHBondContact N-O 3.34Å; G123-W145 PolarHBondContact O-N 2.9Å; W145-T158 HydrophobicContact CB-CG2 4.02Å; W145-T158 VanDerWaalsContact CD1-C 3.47Å; W145-T158 HydrophobicContact CG-CG2 4.2Å; W145-P159 HydrophobicContact CZ2-CG 4.03Å; W145-P159 PolarHBondContact NE1-O 3.22Å; W145-F213 HydrophobicContact CE3-CE1 4.08Å; W145-F213 HydrophobicContact CZ3-CE1 4.2Å; W145-F213 HydrophobicContact CZ3-CZ 4.48Å
146	P	88.2	Confident	86.7	Confident	86 Å²	86	49.1 Å²	49.1	56%	0.558	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.5	-170.6	27.2	-34.6	0	0	0	112	V148	P146-V148 PolarHBondContact O-N 3.38Å
147	G	85.1	Confident	86.5	Confident	54 Å²	54	51.3 Å²	51.3	56%	0.557	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	8.7	171.3	0	0	0	0	0	116.2	V121	V121-G147 PolarHBondContact O-N 3.42Å
148	V	89.7	Confident	86.5	Confident	67 Å²	67	49.3 Å²	49.3	41%	0.406	29%	0.289	S	S	.	.			trans	-119.8	144.9	-180	-173.2	0	0	0	0	109.2	G122 G123 P146 T158	G122-V148 CarbonylContact C-O 3.6Å; G122-V148 WeakPolarHBondContact CA-O 3.44Å; G123-V148 VanDerWaalsContact CA-O 3.32Å; G123-V148 WeakPolarHBondContact CA-O 3.5Å; G123-V148 PolarHBondContact N-O 2.97Å; P146-V148 PolarHBondContact O-N 3.38Å; V148-T158 HydrophobicContact CB-CG2 4.18Å; V148-T158 HydrophobicContact CG1-CG2 3.73Å
149	E	91.6	Very high	86.6	Confident	106 Å²	106	51 Å²	51	50%	0.495	30%	0.299	S	S	.	.			trans	-78.7	148.2	172.6	-63.9	-178.3	-162.4	0	0	110.8	T108 W110 P120 D151	T108-E149 HydrophobicContact CG2-CB 4.28Å; T108-E149 HydrophobicContact CG2-CG 4.14Å; W110-E149 HydrophobicContact CH2-CG 4.12Å; W110-E149 VanDerWaalsContact CH2-OE1 3.23Å; W110-E149 WeakPolarHBondContact CH2-OE1 3.43Å; W110-E149 HydrophobicContact CZ2-CG 4.31Å; P120-E149 HydrophobicContact CB-CG 3.81Å; P120-E149 HydrophobicContact CG-CG 3.94Å; E149-D151 PolarHBondContact O-N 3.29Å
150	G	88	Confident	86.3	Confident	13 Å²	13	46.5 Å²	46.5	13%	0.134	28%	0.278	C	S	.	.			trans	-63.2	126.7	174.9	0	0	0	0	0	110.6	T108	T108-G150 PolarHBondContact OG1-N 3.37Å
151	D	86.4	Confident	85.8	Confident	38 Å²	38	50.8 Å²	50.8	20%	0.203	29%	0.293	C	S	.	.			trans	-111.2	136.3	-178.5	70	-40	0	0	0	111.4	T125 E149 G153 T156 T157 T158	T125-D151 WeakPolarHBondContact CB-O 3.5Å; T125-D151 WeakPolarHBondContact CG2-O 3.49Å; T125-D151 PolarHBondContact OG1-N 2.86Å; T125-D151 PolarHBondContact OG1-O 3.16Å; E149-D151 PolarHBondContact O-N 3.29Å; D151-G153 VanDerWaalsContact C-N 3.28Å; D151-G153 PolarHBondContact O-N 3.26Å; D151-T156 PolarHBondContact O-OG1 2.94Å; D151-T156 PolarHBondContact OD1-OG1 3.33Å; D151-T157 PolarHBondContact OD1-N 3.16Å; D151-T157 VanDerWaalsContact OD1-N 3.13Å; D151-T157 PolarHBondContact OD1-OG1 3.49Å; D151-T157 VanDerWaalsContact OD1-OG1 3.12Å; D151-T157 WeakPolarHBondContact OD2-CB 3.34Å; D151-T157 PolarHBondContact OD2-N 2.9Å; D151-T157 PolarHBondContact OD2-OG1 3.39Å; D151-T158 PolarHBondContact N-OG1 3.38Å; D151-T158 WeakPolarHBondContact OD1-CB 3.26Å; D151-T158 PolarHBondContact OD1-N 2.88Å; D151-T158 PolarHBondContact OD1-OG1 3.43Å
152	G	82	Confident	84.6	Confident	5 Å²	5	52.4 Å²	52.4	5%	0.052	31%	0.305	C	S	.	.			trans	-89.5	21.7	176.4	0	0	0	0	0	114.7	G66	G66-G152 VanDerWaalsContact CA-O 3.25Å; G66-G152 WeakPolarHBondContact CA-O 3.46Å; G66-G152 PolarHBondContact N-O 2.97Å
153	G	82.2	Confident	82.8	Confident	21 Å²	21	57.7 Å²	57.7	22%	0.216	34%	0.342	C	S	.	.			trans	-70.3	159.8	-176.7	0	0	0	0	0	113.5	D151 P155 T156	D151-G153 VanDerWaalsContact C-N 3.28Å; D151-G153 PolarHBondContact O-N 3.26Å; G153-P155 CarbonylContact O-C 3.52Å; G153-P155 VanDerWaalsContact O-C 3.23Å; G153-T156 WeakPolarHBondContact O-CA 3.38Å; G153-T156 PolarHBondContact O-N 3.45Å
154	E	79.8	Confident	80.4	Confident	105 Å²	105	62 Å²	62	49%	0.491	38%	0.375	S	S	.	.	S	Bend	trans	-120.9	102.6	173	-66.9	-168.3	167.3	0	0	109.8
155	P	80.4	Confident	78	Confident	127 Å²	127	64.8 Å²	64.8	83%	0.825	40%	0.395	S	S	*	.	S	Bend	cis	-76.9	148.4	-2.1	32.5	-34.8	0	0	0	113.7	G153	G153-P155 CarbonylContact O-C 3.52Å; G153-P155 VanDerWaalsContact O-C 3.23Å
156	T	84.8	Confident	75.9	Confident	32 Å²	32	66.9 Å²	66.9	20%	0.196	41%	0.411	C	S	.	.			trans	-72.1	139.4	177.4	168.3	0	0	0	0	111.1	T125 D151 G153 T158 P159	T125-T156 HydrophobicContact CG2-CG2 4.42Å; D151-T156 PolarHBondContact O-OG1 2.94Å; D151-T156 PolarHBondContact OD1-OG1 3.33Å; G153-T156 WeakPolarHBondContact O-CA 3.38Å; G153-T156 PolarHBondContact O-N 3.45Å; T156-T158 VanDerWaalsContact C-N 3.32Å; T156-T158 PolarHBondContact OG1-N 2.96Å; T156-T158 VanDerWaalsContact OG1-N 3.07Å; T156-P159 HydrophobicContact CG2-CB 4.04Å
157	T	83.8	Confident	73.7	Confident	97 Å²	97	68 Å²	68	60%	0.595	42%	0.421	S	S	*	.	S	Bend	trans	-78.8	-17.1	173.2	61	0	0	0	0	112.7	D151 P159	D151-T157 PolarHBondContact OD1-N 3.16Å; D151-T157 VanDerWaalsContact OD1-N 3.13Å; D151-T157 PolarHBondContact OD1-OG1 3.49Å; D151-T157 VanDerWaalsContact OD1-OG1 3.12Å; D151-T157 WeakPolarHBondContact OD2-CB 3.34Å; D151-T157 PolarHBondContact OD2-N 2.9Å; D151-T157 PolarHBondContact OD2-OG1 3.39Å; T157-P159 WeakPolarHBondContact O-CD 3.12Å
158	T	88.6	Confident	72.1	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.006	43%	0.432	C	S	.	.	S	Bend	trans	-118.8	53.1	-178.9	58.8	0	0	0	0	113.7	T125 W145 V148 D151 T156 G160	T125-T158 PolarHBondContact N-O 3.43Å; T125-T158 PolarHBondContact OG1-OG1 2.86Å; W145-T158 HydrophobicContact CB-CG2 4.02Å; W145-T158 VanDerWaalsContact CD1-C 3.47Å; W145-T158 HydrophobicContact CG-CG2 4.2Å; V148-T158 HydrophobicContact CB-CG2 4.18Å; V148-T158 HydrophobicContact CG1-CG2 3.73Å; D151-T158 PolarHBondContact N-OG1 3.38Å; D151-T158 WeakPolarHBondContact OD1-CB 3.26Å; D151-T158 PolarHBondContact OD1-N 2.88Å; D151-T158 PolarHBondContact OD1-OG1 3.43Å; T156-T158 VanDerWaalsContact C-N 3.32Å; T156-T158 PolarHBondContact OG1-N 2.96Å; T156-T158 VanDerWaalsContact OG1-N 3.07Å; T158-G160 PolarHBondContact O-N 3.42Å; T158-G160 VanDerWaalsContact O-N 3.14Å
159	P	87.3	Confident	71	Confident	36 Å²	36	73.1 Å²	73.1	23%	0.234	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-64.1	120.4	-177.1	27.7	-34.1	0	0	0	111.1	W145 T156 T157 R161	W145-P159 HydrophobicContact CZ2-CG 4.03Å; W145-P159 PolarHBondContact NE1-O 3.22Å; T156-P159 HydrophobicContact CG2-CB 4.04Å; T157-P159 WeakPolarHBondContact O-CD 3.12Å; P159-R161 VanDerWaalsContact C-N 3.25Å; P159-R161 PolarHBondContact O-N 2.7Å
160	G	79.9	Confident	70	Confident	4 Å²	4	73.7 Å²	73.7	4%	0.041	43%	0.431	C	S	.	.	S	Bend	trans	-72.8	-19.2	176.7	0	0	0	0	0	113.7	T124 T125 K143 T158	T124-G160 WeakPolarHBondContact OG1-CA 3.32Å; T125-G160 PolarHBondContact O-N 3.17Å; K143-G160 PolarHBondContact N-O 3.06Å; T158-G160 PolarHBondContact O-N 3.42Å; T158-G160 VanDerWaalsContact O-N 3.14Å
161	R	77.1	Confident	69.3	Low	118 Å²	118	74 Å²	74	45%	0.445	43%	0.429	S	S	.	.	S	Bend	trans	-125.1	111.8	171.7	-64	-172.7	68.9	128.6	8.2	109.3	H140 L142 P159 S163	H140-R161 PolarHBondContact ND1-NH1 3.23Å; L142-R161 HydrophobicContact CD2-CG 4.11Å; P159-R161 VanDerWaalsContact C-N 3.25Å; P159-R161 PolarHBondContact O-N 2.7Å; R161-S163 PolarHBondContact O-N 3.18Å
162	T	62	Low	68.7	Low	87 Å²	87	73.1 Å²	73.1	53%	0.534	43%	0.429	S	S	.	.			trans	-77	104.2	172.8	46.6	0	0	0	0	109.6	S164	T162-S164 PolarHBondContact O-N 3.39Å
163	S	50.7	Low	68.5	Low	111 Å²	111	81.2 Å²	81.2	78%	0.776	46%	0.458	S	S	*	.			trans	-89.2	87.2	-179.5	55.4	0	0	0	0	111.5	R161	R161-S163 PolarHBondContact O-N 3.18Å
164	S	41.4	Very low	68.5	Low	119 Å²	119	81.5 Å²	81.5	83%	0.832	46%	0.455	S	S	*	.	S	Bend	trans	-175	6.4	160	42.4	0	0	0	0	118.2	T162	T162-S164 PolarHBondContact O-N 3.39Å
165	S	39.4	Very low	68.3	Low	62 Å²	62	79.2 Å²	79.2	43%	0.434	45%	0.453	S	S	.	.			trans	-145.1	61.7	170.9	55	0	0	0	0	112.7	S167 E168	S165-S167 PolarHBondContact O-N 3.33Å; S165-E168 PolarHBondContact O-N 3.44Å; S165-E168 VanDerWaalsContact O-N 3.17Å
166	L	46	Very low	68.3	Low	116 Å²	116	78.6 Å²	78.6	61%	0.607	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-0.6	173.1	-76.5	164.5	0	0	0	114.4
167	S	42.4	Very low	68.1	Low	110 Å²	110	80.9 Å²	80.9	77%	0.769	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-13.6	176.2	48.7	0	0	0	0	114.3	S165	S165-S167 PolarHBondContact O-N 3.33Å
168	E	50.5	Low	68.1	Low	165 Å²	165	77.2 Å²	77.2	77%	0.771	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-19.2	-174	-69.7	-172.6	159.1	0	0	115.4	S165	S165-E168 PolarHBondContact O-N 3.44Å; S165-E168 VanDerWaalsContact O-N 3.17Å
169	D	66.9	Low	67.6	Low	63 Å²	63	83 Å²	83	34%	0.337	45%	0.451	S	S	.	.			trans	-88.9	111.2	-178.6	-171.8	-8.7	0	0	0	111.6	M171 G172 R173	D169-M171 PolarHBondContact O-N 2.86Å; D169-M171 WeakPolarHBondContact OD1-CB 3.28Å; D169-M171 PolarHBondContact OD1-N 3.01Å; D169-G172 PolarHBondContact O-N 3.03Å; D169-R173 PolarHBondContact O-N 3.39Å
170	Q	71.5	Confident	67.2	Low	117 Å²	117	82.6 Å²	82.6	55%	0.547	45%	0.45	S	S	.	.	H	α-helix	trans	-64.1	-40.3	-177.1	-71.9	-150.8	-14.9	0	0	111.6	G172 R173 L174	Q170-G172 VanDerWaalsContact C-N 3.29Å; Q170-G172 PolarHBondContact O-N 2.86Å; Q170-R173 WeakPolarHBondContact O-CB 3.47Å; Q170-R173 PolarHBondContact O-N 3.3Å; Q170-R173 VanDerWaalsContact O-N 3.12Å; Q170-L174 WeakPolarHBondContact O-CG 3.44Å; Q170-L174 PolarHBondContact O-N 3.1Å
171	M	73.2	Confident	67.3	Low	19 Å²	19	83.2 Å²	83.2	9%	0.094	45%	0.452	C	S	.	.	H	α-helix	trans	-58.3	-41.1	176.5	-177.5	169.8	67.4	0	0	111.8	D169 R173 L174 A175 E207 K208 Y215	D169-M171 PolarHBondContact O-N 2.86Å; D169-M171 WeakPolarHBondContact OD1-CB 3.28Å; D169-M171 PolarHBondContact OD1-N 3.01Å; M171-R173 PolarHBondContact O-N 2.83Å; M171-L174 PolarHBondContact O-N 3.08Å; M171-A175 WeakPolarHBondContact O-CB 3.47Å; M171-A175 PolarHBondContact O-N 2.91Å; M171-E207 PolarHBondContact N-OE2 3.46Å; M171-K208 HydrophobicContact SD-CG 4.29Å; M171-Y215 HydrophobicContact CE-CD1 3.96Å; M171-Y215 HydrophobicContact CE-CE1 3.52Å
172	G	71.9	Confident	67.4	Low	20 Å²	20	83.2 Å²	83.2	21%	0.206	45%	0.452	C	S	.	.	H	α-helix	trans	-64.5	-38.3	175.7	0	0	0	0	0	113.6	D169 Q170 K176	D169-G172 PolarHBondContact O-N 3.03Å; Q170-G172 VanDerWaalsContact C-N 3.29Å; Q170-G172 PolarHBondContact O-N 2.86Å; G172-K176 WeakPolarHBondContact O-CG 3.4Å; G172-K176 PolarHBondContact O-N 3.22Å
173	R	79.2	Confident	68	Low	175 Å²	175	84.4 Å²	84.4	66%	0.66	45%	0.452	S	S	*	.	H	α-helix	trans	-68	-46.3	175.6	-179.9	-179.3	173.9	177.7	-2	111.5	D169 Q170 M171 A175 K176 L177	D169-R173 PolarHBondContact O-N 3.39Å; Q170-R173 WeakPolarHBondContact O-CB 3.47Å; Q170-R173 PolarHBondContact O-N 3.3Å; Q170-R173 VanDerWaalsContact O-N 3.12Å; M171-R173 PolarHBondContact O-N 2.83Å; R173-A175 VanDerWaalsContact C-N 3.33Å; R173-A175 PolarHBondContact O-N 2.89Å; R173-K176 PolarHBondContact O-N 3.44Å; R173-L177 HydrophobicContact CG-CD1 4.4Å; R173-L177 PolarHBondContact O-N 3.29Å; R173-L177 VanDerWaalsContact O-N 3.12Å
174	L	80.9	Confident	69.1	Low	28 Å²	28	81.4 Å²	81.4	15%	0.147	44%	0.438	C	S	.	.	H	α-helix	trans	-65.1	-36.2	179.3	-65.9	179.9	0	0	0	112.1	Q170 M171 K176 L177 T178 I200 I203	Q170-L174 WeakPolarHBondContact O-CG 3.44Å; Q170-L174 PolarHBondContact O-N 3.1Å; M171-L174 PolarHBondContact O-N 3.08Å; L174-K176 PolarHBondContact O-N 3.48Å; L174-L177 PolarHBondContact O-N 3.49Å; L174-T178 WeakPolarHBondContact O-CB 3.44Å; L174-T178 PolarHBondContact O-N 3.24Å; L174-T178 PolarHBondContact O-OG1 3.42Å; L174-I200 HydrophobicContact CB-CG2 4.1Å; L174-I200 HydrophobicContact CD1-CG1 4.31Å; L174-I200 HydrophobicContact CD1-CG2 4.21Å; L174-I200 HydrophobicContact CD2-CG1 4.14Å; L174-I203 HydrophobicContact CD1-CB 4.14Å; L174-I203 HydrophobicContact CD1-CD1 4.28Å; L174-I203 HydrophobicContact CD1-CG2 3.82Å
175	A	76.8	Confident	70.8	Confident	56 Å²	56	81.4 Å²	81.4	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-39.1	173.8	0	0	0	0	0	112.6	M171 R173 K179	M171-A175 WeakPolarHBondContact O-CB 3.47Å; M171-A175 PolarHBondContact O-N 2.91Å; R173-A175 VanDerWaalsContact C-N 3.33Å; R173-A175 PolarHBondContact O-N 2.89Å; A175-K179 WeakPolarHBondContact O-CB 3.48Å; A175-K179 PolarHBondContact O-N 2.91Å
176	K	79.5	Confident	72.8	Confident	114 Å²	114	82.8 Å²	82.8	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-44.9	175	-73.8	176.6	-177.6	174.6	0	111.9	G172 R173 L174 K179 A180	G172-K176 WeakPolarHBondContact O-CG 3.4Å; G172-K176 PolarHBondContact O-N 3.22Å; R173-K176 PolarHBondContact O-N 3.44Å; L174-K176 PolarHBondContact O-N 3.48Å; K176-K179 WeakPolarHBondContact O-CB 3.39Å; K176-K179 PolarHBondContact O-N 3.44Å; K176-A180 PolarHBondContact O-N 3.5Å
177	L	81.9	Confident	74.5	Confident	81 Å²	81	83.2 Å²	83.2	42%	0.424	43%	0.433	S	S	.	.	H	α-helix	trans	-65.4	-41.8	178.5	-68.9	173.2	0	0	0	111.5	R173 L174 K179 A180 H181	R173-L177 HydrophobicContact CG-CD1 4.4Å; R173-L177 PolarHBondContact O-N 3.29Å; R173-L177 VanDerWaalsContact O-N 3.12Å; L174-L177 PolarHBondContact O-N 3.49Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 3.45Å; L177-A180 PolarHBondContact O-N 3.02Å; L177-H181 PolarHBondContact O-N 2.81Å
178	T	82.1	Confident	76.4	Confident	20 Å²	20	84.4 Å²	84.4	12%	0.123	42%	0.424	C	S	.	.	H	α-helix	trans	-59.6	-40.3	173.5	-61.7	0	0	0	0	111.5	L174 R182 F197	L174-T178 WeakPolarHBondContact O-CB 3.44Å; L174-T178 PolarHBondContact O-N 3.24Å; L174-T178 PolarHBondContact O-OG1 3.42Å; T178-R182 WeakPolarHBondContact O-CB 3.48Å; T178-R182 VanDerWaalsContact O-CG 3.29Å; T178-R182 WeakPolarHBondContact O-CG 3.34Å; T178-R182 PolarHBondContact O-N 2.92Å; T178-F197 HydrophobicContact CG2-CE1 3.93Å
179	K	78.8	Confident	78.3	Confident	123 Å²	123	79 Å²	79	54%	0.535	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-44.9	175.4	-172.8	179.3	176.4	-177.1	0	111.6	A175 K176 L177 H181 R182 Q183	A175-K179 WeakPolarHBondContact O-CB 3.48Å; A175-K179 PolarHBondContact O-N 2.91Å; K176-K179 WeakPolarHBondContact O-CB 3.39Å; K176-K179 PolarHBondContact O-N 3.44Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 3.45Å; K179-H181 VanDerWaalsContact C-N 3.34Å; K179-H181 PolarHBondContact O-N 3.37Å; K179-R182 PolarHBondContact O-N 2.91Å; K179-Q183 VanDerWaalsContact CE-NE2 3.3Å; K179-Q183 HydrophobicContact CG-CG 4.43Å; K179-Q183 WeakPolarHBondContact O-CB 3.43Å; K179-Q183 VanDerWaalsContact O-CG 3.28Å; K179-Q183 WeakPolarHBondContact O-CG 3.34Å; K179-Q183 PolarHBondContact O-N 2.92Å
180	A	79.9	Confident	79.1	Confident	26 Å²	26	81.5 Å²	81.5	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-61.8	-40.6	178.1	0	0	0	0	0	112.3	K176 L177 Q183 G184 H185	K176-A180 PolarHBondContact O-N 3.5Å; L177-A180 PolarHBondContact O-N 3.02Å; A180-Q183 PolarHBondContact O-N 3.26Å; A180-G184 PolarHBondContact O-N 3.32Å; A180-H185 HydrophobicContact CB-CB 4.49Å; A180-H185 PolarHBondContact O-N 3.27Å
181	H	82.4	Confident	79.9	Confident	18 Å²	18	84.1 Å²	84.1	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-62.4	-47.9	172.8	179.2	-83.1	0	0	0	112.2	L177 K179 Q183 G184 M186 D193 F197	L177-H181 PolarHBondContact O-N 2.81Å; K179-H181 VanDerWaalsContact C-N 3.34Å; K179-H181 PolarHBondContact O-N 3.37Å; H181-Q183 VanDerWaalsContact C-N 3.26Å; H181-Q183 PolarHBondContact O-N 2.93Å; H181-G184 PolarHBondContact O-N 3.42Å; H181-M186 HydrophobicContact CB-CB 4.44Å; H181-M186 HydrophobicContact CB-SD 4.06Å; H181-D193 IonicContact CD2-OD1 3.75Å; H181-D193 IonicContact CE1-OD2 3.35Å; H181-D193 PolarHBondContact CE1-OD2 3.06Å; H181-D193 IonicContact NE2-OD1 3.11Å; H181-D193 PolarHBondContact NE2-OD1 3.39Å; H181-D193 VanDerWaalsContact NE2-OD1 3.11Å; H181-D193 IonicContact NE2-OD2 2.79Å; H181-D193 PolarHBondContact NE2-OD2 2.94Å; H181-F197 AromaticContact CE1-CE2 3.87Å; H181-F197 AromaticContact CE1-CZ 3.75Å; H181-F197 AromaticContact ND1-CZ 3.53Å
182	R	77.8	Confident	80.6	Confident	118 Å²	118	86.7 Å²	86.7	45%	0.445	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-33.9	177.3	-73.5	178.5	-174.2	-173	5.2	112.8	T178 K179 G184	T178-R182 WeakPolarHBondContact O-CB 3.48Å; T178-R182 VanDerWaalsContact O-CG 3.29Å; T178-R182 WeakPolarHBondContact O-CG 3.34Å; T178-R182 PolarHBondContact O-N 2.92Å; K179-R182 PolarHBondContact O-N 2.91Å; R182-G184 PolarHBondContact O-N 3.26Å
183	Q	73.9	Confident	81.4	Confident	111 Å²	111	86.7 Å²	86.7	52%	0.519	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.2	176.5	-72.5	176.7	-37.8	0	0	113.6	K179 A180 H181 H185	K179-Q183 VanDerWaalsContact CE-NE2 3.3Å; K179-Q183 HydrophobicContact CG-CG 4.43Å; K179-Q183 WeakPolarHBondContact O-CB 3.43Å; K179-Q183 VanDerWaalsContact O-CG 3.28Å; K179-Q183 WeakPolarHBondContact O-CG 3.34Å; K179-Q183 PolarHBondContact O-N 2.92Å; A180-Q183 PolarHBondContact O-N 3.26Å; H181-Q183 VanDerWaalsContact C-N 3.26Å; H181-Q183 PolarHBondContact O-N 2.93Å; Q183-H185 VanDerWaalsContact C-N 3.34Å
184	G	74.6	Confident	81.7	Confident	48 Å²	48	87.6 Å²	87.6	50%	0.495	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	9.5	177.5	0	0	0	0	0	114.6	A180 H181 R182 M186	A180-G184 PolarHBondContact O-N 3.32Å; H181-G184 PolarHBondContact O-N 3.42Å; R182-G184 PolarHBondContact O-N 3.26Å; G184-M186 PolarHBondContact O-N 2.61Å
185	H	78	Confident	82	Confident	120 Å²	120	91 Å²	91	56%	0.556	45%	0.451	S	S	*	.	S	Bend	trans	-73.1	-6.6	173.7	-60.5	-55	0	0	0	113	A180 Q183	A180-H185 HydrophobicContact CB-CB 4.49Å; A180-H185 PolarHBondContact O-N 3.27Å; Q183-H185 VanDerWaalsContact C-N 3.34Å
186	M	81.2	Confident	82.4	Confident	90 Å²	90	91 Å²	91	44%	0.443	45%	0.445	S	S	.	.	S	Bend	trans	-124.6	145.8	175.7	-59.2	178.5	62.1	0	0	109.5	H181 G184 K188	H181-M186 HydrophobicContact CB-CB 4.44Å; H181-M186 HydrophobicContact CB-SD 4.06Å; G184-M186 PolarHBondContact O-N 2.61Å; M186-K188 PolarHBondContact O-N 2.83Å
187	V	81.5	Confident	82.7	Confident	126 Å²	126	88.8 Å²	88.8	76%	0.764	44%	0.436	S	S	*	.			trans	-66.8	125.6	175.4	-178.8	0	0	0	0	108.9	V189	V187-V189 HydrophobicContact CG1-CG2 4.29Å
188	K	83	Confident	82.9	Confident	134 Å²	134	92.8 Å²	92.8	58%	0.583	45%	0.445	S	S	*	.			trans	-76.8	126.8	176.5	-64.6	-178.9	-179.9	175.6	0	109.8	M186 D193	M186-K188 PolarHBondContact O-N 2.83Å; K188-D193 WeakPolarHBondContact CA-OD2 3.39Å
189	V	89.4	Confident	83.2	Confident	51 Å²	51	96.7 Å²	96.7	31%	0.309	46%	0.462	S	S	.	.			trans	-132.5	93.4	177.6	-178.9	0	0	0	0	107.4	V187 W191 L192 D193	V187-V189 HydrophobicContact CG1-CG2 4.29Å; V189-W191 VanDerWaalsContact C-N 3.3Å; V189-W191 HydrophobicContact CG1-CG 4.43Å; V189-W191 VanDerWaalsContact CG1-NE1 3.34Å; V189-W191 PolarHBondContact O-N 3.1Å; V189-L192 HydrophobicContact CB-CB 4.18Å; V189-L192 HydrophobicContact CG1-CB 3.89Å; V189-L192 PolarHBondContact O-N 3.26Å; V189-D193 PolarHBondContact N-OD2 3.41Å; V189-D193 WeakPolarHBondContact O-CB 3.48Å; V189-D193 PolarHBondContact O-N 3.06Å
190	D	83.4	Confident	83.5	Confident	117 Å²	117	92.4 Å²	92.4	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-51.1	-41.2	-164.7	-70.1	-19.9	0	0	0	115.3	R194	D190-R194 WeakPolarHBondContact O-CB 3.42Å; D190-R194 WeakPolarHBondContact O-CD 3.39Å; D190-R194 WeakPolarHBondContact O-CG 3.49Å; D190-R194 PolarHBondContact O-N 3.48Å; D190-R194 VanDerWaalsContact O-N 3.14Å
191	W	89.2	Confident	83.6	Confident	171 Å²	171	97.9 Å²	97.9	65%	0.648	47%	0.466	S	S	*	.	H	α-helix	trans	-71.8	-38.5	-179	70.5	-95.6	0	0	0	112.2	V189 L195	V189-W191 VanDerWaalsContact C-N 3.3Å; V189-W191 HydrophobicContact CG1-CG 4.43Å; V189-W191 VanDerWaalsContact CG1-NE1 3.34Å; V189-W191 PolarHBondContact O-N 3.1Å; W191-L195 HydrophobicContact CE3-CD1 4.14Å; W191-L195 HydrophobicContact CZ3-CD1 4.23Å; W191-L195 PolarHBondContact O-N 3.14Å
192	L	87.4	Confident	83.7	Confident	74 Å²	74	100.7 Å²	100.7	39%	0.387	48%	0.48	S	S	.	.	H	α-helix	trans	-77.4	-38.7	179.9	-178.5	61.7	0	0	0	110.5	V189 R194 L195 T196	V189-L192 HydrophobicContact CB-CB 4.18Å; V189-L192 HydrophobicContact CG1-CB 3.89Å; V189-L192 PolarHBondContact O-N 3.26Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.08Å; L192-L195 PolarHBondContact O-N 3.34Å; L192-T196 HydrophobicContact CD1-CG2 4.13Å; L192-T196 HydrophobicContact CG-CG2 4.19Å; L192-T196 WeakPolarHBondContact O-CB 3.26Å; L192-T196 VanDerWaalsContact O-CG2 3.29Å; L192-T196 WeakPolarHBondContact O-CG2 3.36Å; L192-T196 PolarHBondContact O-N 3.31Å; L192-T196 PolarHBondContact O-OG1 2.89Å
193	D	87.6	Confident	84	Confident	20 Å²	20	97.4 Å²	97.4	11%	0.107	47%	0.471	C	S	.	.	H	α-helix	trans	-60.2	-42.1	175.6	-70.2	-16.8	0	0	0	110.7	H181 K188 V189 L195 T196 F197	H181-D193 IonicContact CD2-OD1 3.75Å; H181-D193 IonicContact CE1-OD2 3.35Å; H181-D193 PolarHBondContact CE1-OD2 3.06Å; H181-D193 IonicContact NE2-OD1 3.11Å; H181-D193 PolarHBondContact NE2-OD1 3.39Å; H181-D193 VanDerWaalsContact NE2-OD1 3.11Å; H181-D193 IonicContact NE2-OD2 2.79Å; H181-D193 PolarHBondContact NE2-OD2 2.94Å; K188-D193 WeakPolarHBondContact CA-OD2 3.39Å; V189-D193 PolarHBondContact N-OD2 3.41Å; V189-D193 WeakPolarHBondContact O-CB 3.48Å; V189-D193 PolarHBondContact O-N 3.06Å; D193-L195 PolarHBondContact O-N 3.4Å; D193-T196 VanDerWaalsContact CA-OG1 3.27Å; D193-T196 WeakPolarHBondContact CA-OG1 3.41Å; D193-T196 PolarHBondContact O-N 2.65Å; D193-T196 PolarHBondContact O-OG1 3.5Å; D193-T196 VanDerWaalsContact O-OG1 3.04Å; D193-F197 HydrophobicContact CB-CD2 4.22Å; D193-F197 HydrophobicContact CB-CE2 4Å; D193-F197 WeakPolarHBondContact O-CB 3.2Å; D193-F197 WeakPolarHBondContact O-CD2 3.46Å; D193-F197 WeakPolarHBondContact O-CG 3.36Å; D193-F197 PolarHBondContact O-N 3.31Å
194	R	86.1	Confident	84.4	Confident	193 Å²	193	93.3 Å²	93.3	73%	0.728	45%	0.452	S	S	*	.	H	α-helix	trans	-61	-41.6	175	-75.8	171.3	-173.1	-168.9	3.8	113	D190 L192 R198	D190-R194 WeakPolarHBondContact O-CB 3.42Å; D190-R194 WeakPolarHBondContact O-CD 3.39Å; D190-R194 WeakPolarHBondContact O-CG 3.49Å; D190-R194 PolarHBondContact O-N 3.48Å; D190-R194 VanDerWaalsContact O-N 3.14Å; L192-R194 VanDerWaalsContact C-N 3.32Å; L192-R194 PolarHBondContact O-N 3.08Å; R194-R198 WeakPolarHBondContact O-CB 3.35Å; R194-R198 PolarHBondContact O-N 3.44Å
195	L	87	Confident	84.8	Confident	101 Å²	101	94.8 Å²	94.8	53%	0.529	45%	0.446	S	S	.	.	H	α-helix	trans	-71.1	-43.3	178	-69.2	172.5	0	0	0	111.4	W191 L192 D193 R198 E199	W191-L195 HydrophobicContact CE3-CD1 4.14Å; W191-L195 HydrophobicContact CZ3-CD1 4.23Å; W191-L195 PolarHBondContact O-N 3.14Å; L192-L195 PolarHBondContact O-N 3.34Å; D193-L195 PolarHBondContact O-N 3.4Å; L195-R198 PolarHBondContact O-N 2.88Å; L195-E199 PolarHBondContact O-N 2.94Å
196	T	86.4	Confident	85	Confident	54 Å²	54	92.4 Å²	92.4	33%	0.331	44%	0.443	S	S	.	.	H	α-helix	trans	-68.2	-41.2	-179.9	54.3	0	0	0	0	112.1	L192 D193 R198 E199 I200	L192-T196 HydrophobicContact CD1-CG2 4.13Å; L192-T196 HydrophobicContact CG-CG2 4.19Å; L192-T196 WeakPolarHBondContact O-CB 3.26Å; L192-T196 VanDerWaalsContact O-CG2 3.29Å; L192-T196 WeakPolarHBondContact O-CG2 3.36Å; L192-T196 PolarHBondContact O-N 3.31Å; L192-T196 PolarHBondContact O-OG1 2.89Å; D193-T196 VanDerWaalsContact CA-OG1 3.27Å; D193-T196 WeakPolarHBondContact CA-OG1 3.41Å; D193-T196 PolarHBondContact O-N 2.65Å; D193-T196 PolarHBondContact O-OG1 3.5Å; D193-T196 VanDerWaalsContact O-OG1 3.04Å; T196-R198 VanDerWaalsContact C-N 3.32Å; T196-R198 PolarHBondContact O-N 3Å; T196-E199 PolarHBondContact O-N 3.24Å; T196-I200 WeakPolarHBondContact O-CB 3.43Å; T196-I200 WeakPolarHBondContact O-CD1 3.3Å; T196-I200 WeakPolarHBondContact O-CG1 3.42Å; T196-I200 PolarHBondContact O-N 3.42Å
197	F	85.8	Confident	85	Confident	69 Å²	69	90.6 Å²	90.6	30%	0.303	43%	0.433	S	S	.	.	H	α-helix	trans	-63.7	-38	174.2	-74	-50.9	0	0	0	112.5	T178 H181 D193 I200 E201	T178-F197 HydrophobicContact CG2-CE1 3.93Å; H181-F197 AromaticContact CE1-CE2 3.87Å; H181-F197 AromaticContact CE1-CZ 3.75Å; H181-F197 AromaticContact ND1-CZ 3.53Å; D193-F197 HydrophobicContact CB-CD2 4.22Å; D193-F197 HydrophobicContact CB-CE2 4Å; D193-F197 WeakPolarHBondContact O-CB 3.2Å; D193-F197 WeakPolarHBondContact O-CD2 3.46Å; D193-F197 WeakPolarHBondContact O-CG 3.36Å; D193-F197 PolarHBondContact O-N 3.31Å; F197-I200 HydrophobicContact CD1-CD1 4.27Å; F197-I200 PolarHBondContact O-N 2.85Å; F197-E201 WeakPolarHBondContact O-CB 3.5Å; F197-E201 PolarHBondContact O-N 3.02Å
198	R	86.4	Confident	84.9	Confident	164 Å²	164	85.1 Å²	85.1	62%	0.619	40%	0.399	S	S	*	.	H	α-helix	trans	-63.5	-43.6	173.4	-179.9	179	172.2	143.7	0.2	111.4	R194 L195 T196 E201 M202	R194-R198 WeakPolarHBondContact O-CB 3.35Å; R194-R198 PolarHBondContact O-N 3.44Å; L195-R198 PolarHBondContact O-N 2.88Å; T196-R198 VanDerWaalsContact C-N 3.32Å; T196-R198 PolarHBondContact O-N 3Å; R198-E201 PolarHBondContact O-N 3.34Å; R198-M202 WeakPolarHBondContact O-CG 3.2Å; R198-M202 PolarHBondContact O-N 2.89Å
199	E	86.9	Confident	84.7	Confident	103 Å²	103	85.3 Å²	85.3	48%	0.481	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-41.2	177.6	-157.7	63.9	-153	0	0	111.6	L195 T196 E201 M202 I203	L195-E199 PolarHBondContact O-N 2.94Å; T196-E199 PolarHBondContact O-N 3.24Å; E199-E201 VanDerWaalsContact C-N 3.32Å; E199-E201 PolarHBondContact O-N 3.22Å; E199-M202 VanDerWaalsContact CD-CE 3.4Å; E199-M202 PolarHBondContact O-N 3.39Å; E199-M202 WeakPolarHBondContact OE2-CE 3.46Å; E199-I203 HydrophobicContact CG-CD1 4.23Å; E199-I203 VanDerWaalsContact O-CG1 3.28Å; E199-I203 WeakPolarHBondContact O-CG1 3.35Å; E199-I203 PolarHBondContact O-N 3.37Å
200	I	85	Confident	84.1	Confident	32 Å²	32	87.2 Å²	87.2	16%	0.164	41%	0.412	C	S	.	.	H	α-helix	trans	-59.8	-43.2	174.8	-70.5	165.1	0	0	0	110.9	L174 T196 F197 I203 N204	L174-I200 HydrophobicContact CB-CG2 4.1Å; L174-I200 HydrophobicContact CD1-CG1 4.31Å; L174-I200 HydrophobicContact CD1-CG2 4.21Å; L174-I200 HydrophobicContact CD2-CG1 4.14Å; T196-I200 WeakPolarHBondContact O-CB 3.43Å; T196-I200 WeakPolarHBondContact O-CD1 3.3Å; T196-I200 WeakPolarHBondContact O-CG1 3.42Å; T196-I200 PolarHBondContact O-N 3.42Å; F197-I200 HydrophobicContact CD1-CD1 4.27Å; F197-I200 PolarHBondContact O-N 2.85Å; I200-I203 PolarHBondContact O-N 2.96Å; I200-N204 WeakPolarHBondContact O-CB 3.33Å; I200-N204 PolarHBondContact O-N 3.47Å
201	E	83.5	Confident	83.9	Confident	141 Å²	141	82.9 Å²	82.9	66%	0.659	39%	0.391	S	S	*	.	H	α-helix	trans	-63.2	-44.5	176.6	-172.1	175.1	-161.9	0	0	111.4	F197 R198 E199 N204 E205	F197-E201 WeakPolarHBondContact O-CB 3.5Å; F197-E201 PolarHBondContact O-N 3.02Å; R198-E201 PolarHBondContact O-N 3.34Å; E199-E201 VanDerWaalsContact C-N 3.32Å; E199-E201 PolarHBondContact O-N 3.22Å; E201-N204 PolarHBondContact O-N 2.62Å; E201-E205 VanDerWaalsContact O-CB 3.26Å; E201-E205 WeakPolarHBondContact O-CB 3.49Å; E201-E205 PolarHBondContact O-N 3.06Å
202	M	84.5	Confident	83.5	Confident	78 Å²	78	82 Å²	82	38%	0.384	40%	0.399	S	S	.	.	H	α-helix	trans	-63.9	-41	177	-69.9	-168.8	-52.8	0	0	112.6	R198 E199 S206	R198-M202 WeakPolarHBondContact O-CG 3.2Å; R198-M202 PolarHBondContact O-N 2.89Å; E199-M202 VanDerWaalsContact CD-CE 3.4Å; E199-M202 PolarHBondContact O-N 3.39Å; E199-M202 WeakPolarHBondContact OE2-CE 3.46Å; M202-S206 WeakPolarHBondContact O-CB 3.41Å; M202-S206 PolarHBondContact O-N 3.39Å; M202-S206 PolarHBondContact O-OG 3.29Å
203	I	84	Confident	83.3	Confident	49 Å²	49	81.1 Å²	81.1	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-63.6	-52.2	176.5	-68.3	165.7	0	0	0	109.9	L174 E199 I200 E205 S206 E207	L174-I203 HydrophobicContact CD1-CB 4.14Å; L174-I203 HydrophobicContact CD1-CD1 4.28Å; L174-I203 HydrophobicContact CD1-CG2 3.82Å; E199-I203 HydrophobicContact CG-CD1 4.23Å; E199-I203 VanDerWaalsContact O-CG1 3.28Å; E199-I203 WeakPolarHBondContact O-CG1 3.35Å; E199-I203 PolarHBondContact O-N 3.37Å; I200-I203 PolarHBondContact O-N 2.96Å; I203-E205 VanDerWaalsContact C-N 3.3Å; I203-E205 PolarHBondContact O-N 3.34Å; I203-S206 PolarHBondContact O-N 3.45Å; I203-S206 VanDerWaalsContact O-N 3.16Å; I203-S206 PolarHBondContact O-OG 3.34Å; I203-E207 PolarHBondContact O-N 3.5Å
204	N	82.6	Confident	83.2	Confident	24 Å²	24	81 Å²	81	13%	0.128	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-42.5	178.8	-76.6	-1.1	0	0	0	111.6	I200 E201 E207 K208	I200-N204 WeakPolarHBondContact O-CB 3.33Å; I200-N204 PolarHBondContact O-N 3.47Å; E201-N204 PolarHBondContact O-N 2.62Å; N204-E207 PolarHBondContact O-N 3.17Å; N204-K208 WeakPolarHBondContact O-CB 3.49Å; N204-K208 WeakPolarHBondContact O-CG 3.43Å; N204-K208 PolarHBondContact O-N 3.01Å
205	E	82.1	Confident	83.4	Confident	80 Å²	80	73.1 Å²	73.1	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-41.2	178.2	-172.2	177.1	-151.9	0	0	111.7	E201 I203 E207 R209	E201-E205 VanDerWaalsContact O-CB 3.26Å; E201-E205 WeakPolarHBondContact O-CB 3.49Å; E201-E205 PolarHBondContact O-N 3.06Å; I203-E205 VanDerWaalsContact C-N 3.3Å; I203-E205 PolarHBondContact O-N 3.34Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E207 PolarHBondContact O-N 3.19Å; E205-R209 WeakPolarHBondContact O-CB 3.38Å; E205-R209 VanDerWaalsContact O-CG 3.24Å; E205-R209 WeakPolarHBondContact O-CG 3.32Å; E205-R209 PolarHBondContact O-N 3.35Å; E205-R209 IonicContact OE1-CZ 3.16Å; E205-R209 IonicContact OE1-NE 2.97Å; E205-R209 IonicContact OE1-NH2 3.23Å; E205-R209 PolarHBondContact OE1-NH2 3.42Å; E205-R209 IonicContact OE2-CZ 2.61Å; E205-R209 IonicContact OE2-NH2 3.35Å; E205-R209 PolarHBondContact OE2-NH2 3.12Å
206	S	82.6	Confident	83.6	Confident	69 Å²	69	68.3 Å²	68.3	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-39.4	176.7	76.1	0	0	0	0	112.4	M202 I203 R209 S210	M202-S206 WeakPolarHBondContact O-CB 3.41Å; M202-S206 PolarHBondContact O-N 3.39Å; M202-S206 PolarHBondContact O-OG 3.29Å; I203-S206 PolarHBondContact O-N 3.45Å; I203-S206 VanDerWaalsContact O-N 3.16Å; I203-S206 PolarHBondContact O-OG 3.34Å; S206-R209 PolarHBondContact O-N 2.9Å; S206-S210 PolarHBondContact O-N 3Å; S206-S210 VanDerWaalsContact O-N 3.07Å; S206-S210 PolarHBondContact O-OG 3.21Å
207	E	79.7	Confident	83.8	Confident	52 Å²	52	67.2 Å²	67.2	24%	0.243	33%	0.328	C	S	.	.	H	α-helix	trans	-72.1	-40.8	179.3	-170.3	165.9	-161.1	0	0	111.7	M171 I203 N204 E205 R209 S210 S211	M171-E207 PolarHBondContact N-OE2 3.46Å; I203-E207 PolarHBondContact O-N 3.5Å; N204-E207 PolarHBondContact O-N 3.17Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E207 PolarHBondContact O-N 3.19Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.47Å; E207-S210 WeakPolarHBondContact CA-OG 3.36Å; E207-S210 PolarHBondContact O-N 2.92Å; E207-S210 PolarHBondContact O-OG 3.26Å; E207-S211 WeakPolarHBondContact O-CB 3.39Å; E207-S211 PolarHBondContact O-N 3.15Å
208	K	80.8	Confident	84.1	Confident	11 Å²	11	64 Å²	64	5%	0.048	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-34.5	173	-69.6	174.8	-173.6	-176.1	0	112.3	E26 D141 M171 N204 Y215	E26-K208 HydrophobicContact CB-CD 4.11Å; E26-K208 WeakPolarHBondContact OE2-CD 3.49Å; E26-K208 IonicContact OE2-NZ 3.18Å; E26-K208 PolarHBondContact OE2-NZ 3.48Å; D141-K208 IonicContact OD1-NZ 3.41Å; D141-K208 PolarHBondContact OD1-NZ 3.32Å; D141-K208 VanDerWaalsContact OD2-CE 3.29Å; D141-K208 WeakPolarHBondContact OD2-CE 3.32Å; D141-K208 IonicContact OD2-NZ 2.84Å; D141-K208 PolarHBondContact OD2-NZ 3.03Å; M171-K208 HydrophobicContact SD-CG 4.29Å; N204-K208 WeakPolarHBondContact O-CB 3.49Å; N204-K208 WeakPolarHBondContact O-CG 3.43Å; N204-K208 PolarHBondContact O-N 3.01Å; K208-Y215 HydrophobicContact CB-CD2 4.06Å; K208-Y215 HydrophobicContact CB-CE2 4.44Å; K208-Y215 HydrophobicContact CD-CD2 4.41Å; K208-Y215 HydrophobicContact CD-CG 4.33Å; K208-Y215 HydrophobicContact CG-CD2 3.7Å; K208-Y215 HydrophobicContact CG-CE2 4.15Å; K208-Y215 HydrophobicContact CG-CG 3.99Å
209	R	77.8	Confident	84.5	Confident	139 Å²	139	57.7 Å²	57.7	53%	0.525	29%	0.291	S	S	.	.	H	α-helix	trans	-75.9	-25.8	177.4	-75.4	177.7	-170.4	175.9	5.5	113.9	K28 E205 S206 E207	K28-R209 PolarHBondContact NZ-O 3.31Å; E205-R209 WeakPolarHBondContact O-CB 3.38Å; E205-R209 VanDerWaalsContact O-CG 3.24Å; E205-R209 WeakPolarHBondContact O-CG 3.32Å; E205-R209 PolarHBondContact O-N 3.35Å; E205-R209 IonicContact OE1-CZ 3.16Å; E205-R209 IonicContact OE1-NE 2.97Å; E205-R209 IonicContact OE1-NH2 3.23Å; E205-R209 PolarHBondContact OE1-NH2 3.42Å; E205-R209 IonicContact OE2-CZ 2.61Å; E205-R209 IonicContact OE2-NH2 3.35Å; E205-R209 PolarHBondContact OE2-NH2 3.12Å; S206-R209 PolarHBondContact O-N 2.9Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.47Å
210	S	78.1	Confident	84.7	Confident	91 Å²	91	52.8 Å²	52.8	64%	0.636	27%	0.268	S	S	*	.	H	α-helix	trans	-87.6	-22	176.3	64.6	0	0	0	0	112.5	S206 E207	S206-S210 PolarHBondContact O-N 3Å; S206-S210 VanDerWaalsContact O-N 3.07Å; S206-S210 PolarHBondContact O-OG 3.21Å; E207-S210 WeakPolarHBondContact CA-OG 3.36Å; E207-S210 PolarHBondContact O-N 2.92Å; E207-S210 PolarHBondContact O-OG 3.26Å
211	S	79.4	Confident	84.9	Confident	26 Å²	26	52 Å²	52	18%	0.182	27%	0.266	C	S	.	.	S	Bend	trans	-69.4	144.8	173	-172.5	0	0	0	0	112.4	E207 F213 Y215	E207-S211 WeakPolarHBondContact O-CB 3.39Å; E207-S211 PolarHBondContact O-N 3.15Å; S211-F213 PolarHBondContact O-N 3.22Å; S211-F213 PolarHBondContact OG-N 3.31Å; S211-Y215 PolarHBondContact OG-OH 3.37Å
212	N	79.3	Confident	84.9	Confident	152 Å²	152	49.4 Å²	49.4	81%	0.813	25%	0.249	S	C	*	.	S	Bend	trans	-80	0.8	172.8	-67.2	-27.8	0	0	0	112.9
213	F	83	Confident	84.8	Confident	55 Å²	55	47.2 Å²	47.2	24%	0.241	24%	0.241	C	C	.	.	S	Bend	trans	-109	154.9	-179.3	-64.3	-85.2	0	0	0	111.3	K143 W145 S211 Y215	K143-F213 HydrophobicContact CD-CD1 4.37Å; K143-F213 HydrophobicContact CD-CG 4.26Å; K143-F213 VanDerWaalsContact CE-CE2 3.43Å; K143-F213 VanDerWaalsContact CE-CZ 3.49Å; K143-F213 HydrophobicContact CG-CB 4.03Å; K143-F213 HydrophobicContact CG-CD1 4.31Å; K143-F213 HydrophobicContact CG-CG 4.18Å; W145-F213 HydrophobicContact CE3-CE1 4.08Å; W145-F213 HydrophobicContact CZ3-CE1 4.2Å; W145-F213 HydrophobicContact CZ3-CZ 4.48Å; S211-F213 PolarHBondContact O-N 3.22Å; S211-F213 PolarHBondContact OG-N 3.31Å; F213-Y215 HydrophobicContact CB-CE2 4.37Å
214	M	87.3	Confident	84.7	Confident	18 Å²	18	51 Å²	51	9%	0.089	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	154.6	167.7	-63.9	-179.7	-176.7	0	0	110.6	L25 E26 R29 V121 V144	L25-M214 HydrophobicContact CD1-CB 3.97Å; L25-M214 HydrophobicContact CD1-SD 4.42Å; L25-M214 HydrophobicContact CD2-SD 4.13Å; L25-M214 HydrophobicContact CG-SD 4.44Å; E26-M214 CarbonylContact O-C 3.53Å; E26-M214 WeakPolarHBondContact O-CA 3.48Å; R29-M214 HydrophobicContact CB-CE 3.29Å; R29-M214 HydrophobicContact CG-CE 3.5Å; V121-M214 HydrophobicContact CG1-CE 4.19Å; V121-M214 HydrophobicContact CG1-SD 4.07Å; V144-M214 HydrophobicContact CB-CB 4.13Å; V144-M214 PolarHBondContact N-O 3.01Å
215	Y	89.3	Confident	84.5	Confident	28 Å²	28	53 Å²	53	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.5	178.4	-66.1	-95.2	0	0	0	109.6	L25 E26 L142 K143 M171 K208 S211 F213	L25-Y215 WeakPolarHBondContact CA-O 3.36Å; E26-Y215 PolarHBondContact N-O 3.32Å; E26-Y215 PolarHBondContact O-N 3.27Å; L142-Y215 CarbonylContact O-C 3.54Å; L142-Y215 VanDerWaalsContact O-CA 3.27Å; L142-Y215 WeakPolarHBondContact O-CA 3.23Å; K143-Y215 HydrophobicContact CB-CE1 4.26Å; M171-Y215 HydrophobicContact CE-CD1 3.96Å; M171-Y215 HydrophobicContact CE-CE1 3.52Å; K208-Y215 HydrophobicContact CB-CD2 4.06Å; K208-Y215 HydrophobicContact CB-CE2 4.44Å; K208-Y215 HydrophobicContact CD-CD2 4.41Å; K208-Y215 HydrophobicContact CD-CG 4.33Å; K208-Y215 HydrophobicContact CG-CD2 3.7Å; K208-Y215 HydrophobicContact CG-CE2 4.15Å; K208-Y215 HydrophobicContact CG-CG 3.99Å; S211-Y215 PolarHBondContact OG-OH 3.37Å; F213-Y215 HydrophobicContact CB-CE2 4.37Å
216	L	91.2	Very high	83.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.4	175.1	-178.1	67.1	0	0	0	109.1	I22 L25 V58 W86 L107 T124 L142 V144 V218	I22-L216 HydrophobicContact CG2-CD1 4.13Å; L25-L216 HydrophobicContact CB-CD1 4.24Å; L25-L216 HydrophobicContact CD1-CB 4.12Å; L25-L216 HydrophobicContact CD1-CD1 4.26Å; V58-L216 HydrophobicContact CG1-CD2 4.2Å; W86-L216 HydrophobicContact CZ3-CD1 4.34Å; L107-L216 HydrophobicContact CB-CD2 4.22Å; L107-L216 HydrophobicContact CD2-CD2 4.11Å; T124-L216 HydrophobicContact CG2-CD2 4.34Å; L142-L216 PolarHBondContact N-O 3.34Å; L142-L216 PolarHBondContact O-N 3.06Å; V144-L216 HydrophobicContact CG2-CB 3.71Å; L216-V218 HydrophobicContact CD2-CG2 4.09Å; L216-V218 HydrophobicContact CG-CG2 4.07Å
217	M	91.1	Very high	83.3	Confident	31 Å²	31	61.2 Å²	61.2	15%	0.153	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122	173	-173	-80.6	-82.6	0	0	109.5	G23 S24 M139 H140 E219	G23-M217 WeakPolarHBondContact CA-O 3.28Å; G23-M217 PolarHBondContact N-O 3.18Å; S24-M217 PolarHBondContact O-N 3.24Å; M139-M217 HydrophobicContact CB-SD 4.45Å; M139-M217 HydrophobicContact CG-SD 4.25Å; H140-M217 WeakPolarHBondContact O-CA 3.39Å; M217-E219 HydrophobicContact SD-CB 4.25Å
218	V	92.7	Very high	83.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	175.1	-178.3	0	0	0	0	109.3	K21 I22 L107 H140 L142 L216 F220	K21-V218 WeakPolarHBondContact O-CA 3.18Å; I22-V218 HydrophobicContact CD1-CG2 4.39Å; L107-V218 HydrophobicContact CD2-CG2 4.07Å; H140-V218 PolarHBondContact N-O 2.93Å; H140-V218 PolarHBondContact O-N 3.28Å; L142-V218 HydrophobicContact CD1-CB 4.11Å; L142-V218 HydrophobicContact CD1-CG2 3.7Å; L142-V218 HydrophobicContact CG-CG2 4.39Å; L216-V218 HydrophobicContact CD2-CG2 4.09Å; L216-V218 HydrophobicContact CG-CG2 4.07Å; V218-F220 HydrophobicContact CB-CE2 4.48Å; V218-F220 HydrophobicContact CG1-CD2 4.35Å; V218-F220 HydrophobicContact CG1-CE2 4.02Å
219	E	93.1	Very high	83.1	Confident	33 Å²	33	67.9 Å²	67.9	15%	0.154	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.9	175.6	163.9	174.6	-149.3	0	0	110.4	K21 W89 G138 M139 M217	K21-E219 HydrophobicContact CB-CB 3.95Å; K21-E219 HydrophobicContact CB-CG 4.3Å; K21-E219 HydrophobicContact CD-CB 4.16Å; K21-E219 HydrophobicContact CD-CG 4.23Å; K21-E219 WeakPolarHBondContact CD-OE2 3.46Å; K21-E219 PolarHBondContact N-O 2.82Å; K21-E219 IonicContact NZ-OE2 2.85Å; K21-E219 PolarHBondContact NZ-OE2 3.33Å; K21-E219 PolarHBondContact O-N 2.99Å; W89-E219 HydrophobicContact CH2-CG 4.17Å; W89-E219 HydrophobicContact CZ2-CG 4.37Å; G138-E219 WeakPolarHBondContact O-CA 3.49Å; M139-E219 HydrophobicContact CG-CB 4.03Å; M139-E219 HydrophobicContact CG-CG 4.34Å; M217-E219 HydrophobicContact SD-CB 4.25Å
220	F	92	Very high	83.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	142	174.8	-69.9	-103.3	0	0	0	110.5	L20 V126 L128 F135 R136 G138 H140 V218	L20-F220 HydrophobicContact CD2-CD1 3.37Å; L20-F220 HydrophobicContact CD2-CE1 3.56Å; L20-F220 HydrophobicContact CD2-CG 3.95Å; L20-F220 HydrophobicContact CD2-CZ 4.27Å; V126-F220 HydrophobicContact CG1-CZ 3.92Å; L128-F220 HydrophobicContact CD2-CE1 3.85Å; F135-F220 HydrophobicContact CE1-CD1 4.06Å; F135-F220 HydrophobicContact CZ-CD1 4.16Å; R136-F220 HydrophobicContact CB-CB 4.49Å; R136-F220 HydrophobicContact CB-CD1 3.73Å; R136-F220 HydrophobicContact CB-CD2 4.2Å; R136-F220 HydrophobicContact CB-CE1 3.91Å; R136-F220 HydrophobicContact CB-CE2 4.35Å; R136-F220 HydrophobicContact CB-CG 3.89Å; R136-F220 HydrophobicContact CB-CZ 4.22Å; R136-F220 WeakPolarHBondContact O-CB 3.4Å; G138-F220 PolarHBondContact N-O 3.15Å; G138-F220 PolarHBondContact O-N 3.44Å; H140-F220 HydrophobicContact CB-CE2 4.47Å; H140-F220 AromaticContact CD2-CD2 3.52Å; H140-F220 AromaticContact CD2-CE2 3.88Å; V218-F220 HydrophobicContact CB-CE2 4.48Å; V218-F220 HydrophobicContact CG1-CD2 4.35Å; V218-F220 HydrophobicContact CG1-CE2 4.02Å
221	P	88.5	Confident	83.9	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.104	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-63.5	149.7	-174.4	25.5	-34.2	0	0	0	111.9	Q19 W89 Y96 F135	Q19-P221 WeakPolarHBondContact O-CD 3.5Å; Q19-P221 VanDerWaalsContact O-CG 3.31Å; Q19-P221 WeakPolarHBondContact O-CG 3.38Å; W89-P221 HydrophobicContact CH2-CB 4.23Å; W89-P221 HydrophobicContact CZ3-CB 4.11Å; Y96-P221 WeakPolarHBondContact OH-CG 3.32Å; F135-P221 HydrophobicContact CE1-CG 4.03Å
222	R	84.4	Confident	84.4	Confident	85 Å²	85	59.5 Å²	59.5	32%	0.321	29%	0.293	S	S	.	.			trans	-117.6	127.4	173.4	-64.3	-179.4	179.2	-152.5	-2.4	108.1	Q137 E229	Q137-R222 HydrophobicContact CB-CG 4.26Å; R222-E229 IonicContact NH1-OE1 2.89Å; R222-E229 PolarHBondContact NH1-OE1 3.39Å; R222-E229 IonicContact NH1-OE2 3.66Å; R222-E229 PolarHBondContact NH1-OE2 3.31Å
223	V	82.8	Confident	84.9	Confident	33 Å²	33	53.7 Å²	53.7	20%	0.2	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.5	175.6	-176.8	0	0	0	0	107.9	Y230 I232	V223-Y230 PolarHBondContact O-N 3.46Å; V223-I232 HydrophobicContact CG2-CD1 3.74Å; V223-I232 HydrophobicContact CG2-CG1 3.78Å
224	K	81.9	Confident	85.1	Confident	128 Å²	128	53.4 Å²	53.4	56%	0.557	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.3	177.2	-61.4	-167.9	179.2	-152.3	0	109.7	K228 E229	K224-K228 WeakPolarHBondContact CA-O 3.44Å; K224-E229 HydrophobicContact CD-CG 4.41Å; K224-E229 WeakPolarHBondContact CE-OE1 3.34Å; K224-E229 HydrophobicContact CG-CG 4.25Å; K224-E229 IonicContact NZ-OE1 3.77Å; K224-E229 PolarHBondContact NZ-OE1 3.5Å
225	T	77.4	Confident	85.1	Confident	66 Å²	66	57.2 Å²	57.2	41%	0.405	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.9	174.3	-51.6	0	0	0	0	108.2	D227 K228	T225-D227 VanDerWaalsContact C-N 3.32Å; T225-D227 PolarHBondContact O-N 2.97Å; T225-K228 PolarHBondContact N-O 3.45Å; T225-K228 PolarHBondContact O-N 3.31Å
226	N	70.1	Confident	84.5	Confident	154 Å²	154	61.1 Å²	61.1	82%	0.824	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	49.6	177.3	-59.1	-25.4	0	0	0	113.5	K228	N226-K228 PolarHBondContact O-N 3.08Å
227	D	69.4	Low	83.6	Confident	168 Å²	168	68.4 Å²	68.4	90%	0.898	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	10.3	178.3	-144.1	29	0	0	0	116	T225	T225-D227 VanDerWaalsContact C-N 3.32Å; T225-D227 PolarHBondContact O-N 2.97Å
228	K	76.4	Confident	82.5	Confident	119 Å²	119	72.4 Å²	72.4	52%	0.517	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.3	172.8	-65.1	180	-177.6	176.1	0	111	K224 T225 N226 Y230	K224-K228 WeakPolarHBondContact CA-O 3.44Å; T225-K228 PolarHBondContact N-O 3.45Å; T225-K228 PolarHBondContact O-N 3.31Å; N226-K228 PolarHBondContact O-N 3.08Å; K228-Y230 HydrophobicContact CB-CE2 3.99Å; K228-Y230 WeakPolarHBondContact O-CD2 3.33Å
229	E	80.7	Confident	80.8	Confident	84 Å²	84	74.7 Å²	74.7	39%	0.393	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.8	173.4	-56.6	-163	154.4	0	0	110	R222 K224	R222-E229 IonicContact NH1-OE1 2.89Å; R222-E229 PolarHBondContact NH1-OE1 3.39Å; R222-E229 IonicContact NH1-OE2 3.66Å; R222-E229 PolarHBondContact NH1-OE2 3.31Å; K224-E229 HydrophobicContact CD-CG 4.41Å; K224-E229 WeakPolarHBondContact CE-OE1 3.34Å; K224-E229 HydrophobicContact CG-CG 4.25Å; K224-E229 IonicContact NZ-OE1 3.77Å; K224-E229 PolarHBondContact NZ-OE1 3.5Å
230	Y	85.8	Confident	79	Confident	59 Å²	59	80.4 Å²	80.4	23%	0.231	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.2	177.4	-72.4	-103.4	0	0	0	110.6	N7 V9 Q137 V223 K228	N7-Y230 HydrophobicContact CB-CD1 3.65Å; N7-Y230 HydrophobicContact CB-CE1 3.75Å; N7-Y230 HydrophobicContact CB-CG 4.09Å; V9-Y230 HydrophobicContact CG2-CD1 3.77Å; V9-Y230 HydrophobicContact CG2-CG 4.16Å; Q137-Y230 PolarHBondContact NE2-O 3.18Å; V223-Y230 PolarHBondContact O-N 3.46Å; K228-Y230 HydrophobicContact CB-CE2 3.99Å; K228-Y230 WeakPolarHBondContact O-CD2 3.33Å
231	S	86	Confident	77.1	Confident	20 Å²	20	88.3 Å²	88.3	14%	0.14	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.4	172.4	-63.7	0	0	0	0	110.8	N7 Y8 V9	N7-S231 PolarHBondContact O-N 3.26Å; Y8-S231 CarbonylContact C-O 3.37Å; Y8-S231 WeakPolarHBondContact CA-O 3.45Å; Y8-S231 WeakPolarHBondContact CB-O 3.38Å; V9-S231 PolarHBondContact N-O 3.02Å
232	I	89.7	Confident	75.2	Confident	1 Å²	1	91.8 Å²	91.8	1%	0.005	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.5	174	-53	170.1	0	0	0	107.8	V9 L14 Y96 M134 F135 V223	V9-I232 CarbonylContact O-C 3.51Å; V9-I232 WeakPolarHBondContact O-CA 3.48Å; L14-I232 HydrophobicContact CD1-CB 4.4Å; L14-I232 HydrophobicContact CD1-CD1 3.82Å; L14-I232 HydrophobicContact CD1-CG1 3.78Å; L14-I232 HydrophobicContact CD1-CG2 3.81Å; Y96-I232 HydrophobicContact CD1-CD1 4.09Å; Y96-I232 HydrophobicContact CD1-CG2 4.46Å; Y96-I232 HydrophobicContact CE1-CD1 3.56Å; M134-I232 WeakPolarHBondContact CA-O 3.42Å; F135-I232 HydrophobicContact CB-CB 3.74Å; F135-I232 HydrophobicContact CB-CG2 4.16Å; F135-I232 HydrophobicContact CD1-CD1 4.17Å; F135-I232 HydrophobicContact CG-CB 4.47Å; F135-I232 HydrophobicContact CG-CD1 4.49Å; F135-I232 PolarHBondContact N-O 3.11Å; V223-I232 HydrophobicContact CG2-CD1 3.74Å; V223-I232 HydrophobicContact CG2-CG1 3.78Å
233	V	89.7	Confident	73.6	Confident	30 Å²	30	92.7 Å²	92.7	18%	0.182	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.5	-179.4	178.5	0	0	0	0	108.7	F6 Y8 V9 Y10 S11 Y235	F6-V233 HydrophobicContact CE1-CG2 4.4Å; Y8-V233 HydrophobicContact CD2-CG2 4.38Å; Y8-V233 HydrophobicContact CG-CG2 4.29Å; V9-V233 PolarHBondContact O-N 3.17Å; Y10-V233 CarbonylContact C-O 3.47Å; Y10-V233 WeakPolarHBondContact CA-O 3.47Å; S11-V233 PolarHBondContact N-O 3.28Å; V233-Y235 PolarHBondContact O-N 2.95Å
234	Y	88.1	Confident	72.1	Confident	49 Å²	49	96.2 Å²	96.2	19%	0.192	51%	0.513	C	S	.	.			trans	-59.8	126.4	173.7	179.1	-98.2	0	0	0	109.8	S11 L99 Q101 F129 G133 E236	S11-Y234 WeakPolarHBondContact OG-CA 3.3Å; L99-Y234 WeakPolarHBondContact O-CE2 3.47Å; Q101-Y234 HydrophobicContact CB-CD1 3.97Å; Q101-Y234 HydrophobicContact CB-CD2 4.26Å; Q101-Y234 HydrophobicContact CB-CE1 3.89Å; Q101-Y234 HydrophobicContact CB-CE2 4.17Å; Q101-Y234 HydrophobicContact CB-CG 4.14Å; Q101-Y234 HydrophobicContact CG-CD1 4.26Å; Q101-Y234 HydrophobicContact CG-CG 4.41Å; Q101-Y234 VanDerWaalsContact N-CE2 3.31Å; F129-Y234 HydrophobicContact CE1-CD2 4.44Å; F129-Y234 HydrophobicContact CE2-CD2 4.15Å; F129-Y234 HydrophobicContact CZ-CD2 4.05Å; G133-Y234 WeakPolarHBondContact O-CB 3.49Å; G133-Y234 PolarHBondContact O-N 3.22Å; Y234-E236 HydrophobicContact CE1-CB 4.21Å; Y234-E236 PolarHBondContact OH-OE2 3.42Å
235	Y	86.1	Confident	70.4	Confident	97 Å²	97	94.5 Å²	94.5	38%	0.38	52%	0.522	S	S	.	.			trans	-148.9	131.8	170.3	-179.3	-109.7	0	0	0	108.9	Y10 S11 V233	Y10-Y235 HydrophobicContact CD1-CD1 4.23Å; Y10-Y235 AromaticContact CD1-CG 3.8Å; Y10-Y235 HydrophobicContact CD1-CG 3.8Å; Y10-Y235 HydrophobicContact CD2-CD1 4.45Å; Y10-Y235 HydrophobicContact CE1-CD2 4.34Å; Y10-Y235 HydrophobicContact CE1-CG 4Å; Y10-Y235 HydrophobicContact CG-CD1 4.15Å; Y10-Y235 HydrophobicContact CG-CG 4.19Å; S11-Y235 PolarHBondContact OG-N 3Å; S11-Y235 VanDerWaalsContact OG-N 3.07Å; S11-Y235 PolarHBondContact OG-O 2.96Å; V233-Y235 PolarHBondContact O-N 2.95Å
236	E	78.4	Confident	69.1	Low	111 Å²	111	97.8 Å²	97.8	52%	0.519	54%	0.536	S	S	.	.			trans	-113.4	115.9	177.9	-172.8	170.1	-170.8	0	0	107.3	Y234 D238 G239	Y234-E236 HydrophobicContact CE1-CB 4.21Å; Y234-E236 PolarHBondContact OH-OE2 3.42Å; E236-D238 PolarHBondContact O-N 3.07Å; E236-G239 PolarHBondContact O-N 3.19Å
237	K	71.7	Confident	68.2	Low	152 Å²	152	97.3 Å²	97.3	66%	0.661	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	130.1	178.1	-165	177.3	177.6	-177.7	0	107.8	G239	K237-G239 VanDerWaalsContact C-N 3.27Å; K237-G239 PolarHBondContact O-N 3.21Å
238	D	67.3	Low	67.5	Low	116 Å²	116	93 Å²	93	62%	0.62	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	5	-179.2	-42.5	-42.9	0	0	0	115.8	E236 D240	E236-D238 PolarHBondContact O-N 3.07Å; D238-D240 PolarHBondContact O-N 3.19Å
239	G	58	Low	66.5	Low	47 Å²	47	93.4 Å²	93.4	49%	0.485	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.7	178.2	0	0	0	0	0	115.4	E236 K237	E236-G239 PolarHBondContact O-N 3.19Å; K237-G239 VanDerWaalsContact C-N 3.27Å; K237-G239 PolarHBondContact O-N 3.21Å
240	D	54.1	Low	65.3	Low	153 Å²	153	96 Å²	96	82%	0.818	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	4.3	179.9	-79.5	-30.8	0	0	0	113.6	D238 A242	D238-D240 PolarHBondContact O-N 3.19Å; D240-A242 PolarHBondContact O-N 3.38Å
241	E	53.3	Low	64.3	Low	166 Å²	166	101.9 Å²	101.9	78%	0.776	59%	0.591	S	S	*	*			trans	-71.6	75.9	167.2	-77.7	-156.3	160.3	0	0	109.3	S243	E241-S243 VanDerWaalsContact C-N 3.31Å; E241-S243 PolarHBondContact O-N 3Å
242	A	48	Very low	62.9	Low	89 Å²	89	105.2 Å²	105.2	74%	0.736	61%	0.61	S	S	*	*			trans	-60.3	99.1	162.5	0	0	0	0	0	107.2	D240 P244	D240-A242 PolarHBondContact O-N 3.38Å; A242-P244 VanDerWaalsContact O-CD 3.23Å; A242-P244 WeakPolarHBondContact O-CD 3.17Å
243	S	50.7	Low	61.4	Low	104 Å²	104	114.8 Å²	114.8	73%	0.727	65%	0.651	S	S	*	*			trans	-54.7	115.8	167.1	59.4	0	0	0	0	106.8	E241 A245	E241-S243 VanDerWaalsContact C-N 3.31Å; E241-S243 PolarHBondContact O-N 3Å; S243-A245 PolarHBondContact O-N 3.06Å
244	P	50.4	Low	59.9	Low	108 Å²	108	118.7 Å²	118.7	70%	0.701	68%	0.675	S	S	*	*			trans	-64.4	111	179.2	24.5	-30.5	0	0	0	107.2	A242 L246	A242-P244 VanDerWaalsContact O-CD 3.23Å; A242-P244 WeakPolarHBondContact O-CD 3.17Å; P244-L246 VanDerWaalsContact C-N 3.31Å; P244-L246 PolarHBondContact O-N 3.09Å
245	A	47.3	Very low	58.4	Low	91 Å²	91	121.9 Å²	121.9	75%	0.752	70%	0.701	S	S	*	*			trans	-65	96.1	170.2	0	0	0	0	0	107.6	S243 T247	S243-A245 PolarHBondContact O-N 3.06Å; A245-T247 PolarHBondContact O-N 2.99Å
246	L	49.2	Very low	57.4	Low	135 Å²	135	120.7 Å²	120.7	71%	0.707	70%	0.702	S	S	*	*			trans	-70.9	107	174.2	-79.8	156.8	0	0	0	108.5	P244 S248	P244-L246 VanDerWaalsContact C-N 3.31Å; P244-L246 PolarHBondContact O-N 3.09Å; L246-S248 PolarHBondContact O-N 3.27Å
247	T	52.7	Low	56.9	Low	144 Å²	144	120.4 Å²	120.4	88%	0.883	71%	0.71	S	S	*	*			trans	-80	49.4	178	56.9	0	0	0	0	112.4	A245	A245-T247 PolarHBondContact O-N 2.99Å
248	S	53.7	Low	56.3	Low	77 Å²	77	119.5 Å²	119.5	54%	0.538	71%	0.707	S	S	.	*	S	Bend	trans	-146.4	119.7	171.6	61.5	0	0	0	0	111.2	L246 D250	L246-S248 PolarHBondContact O-N 3.27Å; S248-D250 VanDerWaalsContact C-N 3.35Å; S248-D250 PolarHBondContact O-N 3.38Å
249	S	56.2	Low	55.9	Low	129 Å²	129	120.8 Å²	120.8	90%	0.902	71%	0.714	S	S	*	*			trans	-72	82.4	179.2	-45.7	0	0	0	0	111.4
250	D	55.2	Low	56	Low	138 Å²	138	122.6 Å²	122.6	74%	0.738	73%	0.732	S	S	*	*	S	Bend	trans	-112.8	158.2	155.4	-87.9	-32.5	0	0	0	108.7	S248 V252	S248-D250 VanDerWaalsContact C-N 3.35Å; S248-D250 PolarHBondContact O-N 3.38Å; D250-V252 WeakPolarHBondContact O-CG2 3.15Å; D250-V252 PolarHBondContact O-N 3.13Å
251	I	65	Low	56.6	Low	183 Å²	183	121.3 Å²	121.3	94%	0.938	72%	0.723	S	S	*	*			trans	-59.5	100.1	175.7	-64.8	169.3	0	0	0	108.2
252	V	56.5	Low	57.2	Low	89 Å²	89	119.5 Å²	119.5	54%	0.539	71%	0.714	S	S	.	*			trans	-92.5	132.3	179.9	167	0	0	0	0	109	D250 V254	D250-V252 WeakPolarHBondContact O-CG2 3.15Å; D250-V252 PolarHBondContact O-N 3.13Å; V252-V254 HydrophobicContact CG1-CG2 4.42Å; V252-V254 PolarHBondContact O-N 3.4Å
253	K	57.9	Low	58.6	Low	202 Å²	202	118.8 Å²	118.8	88%	0.878	70%	0.698	S	S	*	*			trans	-67.8	100.8	161.6	-73.8	-176.4	179.5	-179.5	0	107.3	P255	K253-P255 VanDerWaalsContact O-CD 3.27Å; K253-P255 WeakPolarHBondContact O-CD 3.28Å
254	V	58.8	Low	60	Low	113 Å²	113	120.1 Å²	120.1	69%	0.685	70%	0.697	S	S	*	*			trans	-74.8	114.5	169.4	-178.7	0	0	0	0	106.6	V252 D256	V252-V254 HydrophobicContact CG1-CG2 4.42Å; V252-V254 PolarHBondContact O-N 3.4Å; V254-D256 VanDerWaalsContact C-N 3.32Å; V254-D256 PolarHBondContact O-N 2.73Å
255	P	55.3	Low	61.3	Low	115 Å²	115	120.3 Å²	120.3	75%	0.747	70%	0.695	S	S	*	*			trans	-68.7	100.8	165.5	23.4	-18.1	0	0	0	106	K253 P257	K253-P255 VanDerWaalsContact O-CD 3.27Å; K253-P255 WeakPolarHBondContact O-CD 3.28Å; P255-P257 VanDerWaalsContact O-CD 3.24Å; P255-P257 WeakPolarHBondContact O-CD 3.27Å
256	D	66.6	Low	62.7	Low	72 Å²	72	120.8 Å²	120.8	39%	0.385	68%	0.682	S	S	.	*			trans	-80.4	109.4	170.2	171.5	10.6	0	0	0	107.2	V254 H258 L259	V254-D256 VanDerWaalsContact C-N 3.32Å; V254-D256 PolarHBondContact O-N 2.73Å; D256-H258 PolarHBondContact O-N 3.07Å; D256-H258 VanDerWaalsContact O-N 3.13Å; D256-H258 WeakPolarHBondContact OD1-CA 3.36Å; D256-H258 WeakPolarHBondContact OD1-CB 3.35Å; D256-H258 IonicContact OD1-CG 3.82Å; D256-H258 PolarHBondContact OD1-N 3.27Å; D256-H258 IonicContact OD1-ND1 2.72Å; D256-L259 HydrophobicContact CB-CB 3.92Å; D256-L259 VanDerWaalsContact O-CB 3.28Å; D256-L259 WeakPolarHBondContact O-CB 3.31Å; D256-L259 PolarHBondContact O-N 2.96Å
257	P	66.6	Low	63.9	Low	106 Å²	106	115 Å²	115	69%	0.688	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	179.9	-17.3	31.8	0	0	0	112.2	P255 M261	P255-P257 VanDerWaalsContact O-CD 3.24Å; P255-P257 WeakPolarHBondContact O-CD 3.27Å; P257-M261 VanDerWaalsContact O-SD 3.39Å
258	H	59.9	Low	65.3	Low	132 Å²	132	114.9 Å²	114.9	61%	0.611	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-1.6	178.4	-51.4	139	0	0	0	112.9	D256 G260 M261	D256-H258 PolarHBondContact O-N 3.07Å; D256-H258 VanDerWaalsContact O-N 3.13Å; D256-H258 WeakPolarHBondContact OD1-CA 3.36Å; D256-H258 WeakPolarHBondContact OD1-CB 3.35Å; D256-H258 IonicContact OD1-CG 3.82Å; D256-H258 PolarHBondContact OD1-N 3.27Å; D256-H258 IonicContact OD1-ND1 2.72Å; H258-G260 PolarHBondContact O-N 3.36Å; H258-M261 WeakPolarHBondContact O-CB 3.4Å; H258-M261 PolarHBondContact O-N 3.38Å
259	L	59.4	Low	66.5	Low	144 Å²	144	116 Å²	116	75%	0.754	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	108.1	179.5	-165.9	71.7	0	0	0	109.9	D256	D256-L259 HydrophobicContact CB-CB 3.92Å; D256-L259 VanDerWaalsContact O-CB 3.28Å; D256-L259 WeakPolarHBondContact O-CB 3.31Å; D256-L259 PolarHBondContact O-N 2.96Å
260	G	59.1	Low	67.5	Low	85 Å²	85	111.1 Å²	111.1	88%	0.876	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	92	-1.6	-173.9	0	0	0	0	0	114.4	H258	H258-G260 PolarHBondContact O-N 3.36Å
261	M	66.9	Low	68.5	Low	125 Å²	125	109.7 Å²	109.7	62%	0.616	59%	0.587	S	S	*	*	S	Bend	trans	-78.9	150.1	165.2	-62.9	-167.2	77.6	0	0	110.4	P257 H258 N263	P257-M261 VanDerWaalsContact O-SD 3.39Å; H258-M261 WeakPolarHBondContact O-CB 3.4Å; H258-M261 PolarHBondContact O-N 3.38Å; M261-N263 PolarHBondContact O-N 3.45Å
262	E	66.1	Low	69.1	Low	128 Å²	128	106.4 Å²	106.4	60%	0.598	57%	0.571	S	S	*	*			trans	-63.5	129	176.4	-171.7	-175.9	176.9	0	0	110.2	L264 S267	E262-L264 PolarHBondContact O-N 3.09Å; E262-S267 WeakPolarHBondContact OE1-CB 3.43Å; E262-S267 PolarHBondContact OE1-OG 2.88Å
263	N	77.1	Confident	69.8	Low	74 Å²	74	104.6 Å²	104.6	40%	0.396	57%	0.565	S	S	.	*			trans	-69.6	102.8	172.7	-177.2	-18	0	0	0	109.3	M261 V265 E266 S267	M261-N263 PolarHBondContact O-N 3.45Å; N263-V265 PolarHBondContact O-N 3.22Å; N263-V265 VanDerWaalsContact O-N 3.17Å; N263-V265 WeakPolarHBondContact OD1-CB 3.36Å; N263-V265 PolarHBondContact OD1-N 3.3Å; N263-E266 HydrophobicContact CB-CB 4.02Å; N263-E266 HydrophobicContact CB-CG 4.13Å; N263-E266 WeakPolarHBondContact ND2-CG 3.38Å; N263-E266 PolarHBondContact ND2-OE1 3.39Å; N263-E266 PolarHBondContact O-N 2.88Å; N263-E266 VanDerWaalsContact O-N 3.09Å; N263-E266 PolarHBondContact OD1-N 3.11Å; N263-S267 PolarHBondContact O-N 2.9Å
264	L	79.2	Confident	70.7	Confident	133 Å²	133	95.8 Å²	95.8	70%	0.696	53%	0.526	S	S	*	.	H	α-helix	trans	-58.6	-30.3	-177.4	-61.4	179.6	0	0	0	113.1	E262 K268	E262-L264 PolarHBondContact O-N 3.09Å; L264-K268 WeakPolarHBondContact O-CB 3.28Å; L264-K268 PolarHBondContact O-N 3.36Å
265	V	78.9	Confident	71.1	Confident	111 Å²	111	92.7 Å²	92.7	67%	0.673	51%	0.51	S	S	*	.	H	α-helix	trans	-70	-45.4	177.7	-179.8	0	0	0	0	110.1	N263 K268 H269	N263-V265 PolarHBondContact O-N 3.22Å; N263-V265 VanDerWaalsContact O-N 3.17Å; N263-V265 WeakPolarHBondContact OD1-CB 3.36Å; N263-V265 PolarHBondContact OD1-N 3.3Å; V265-K268 PolarHBondContact O-N 2.9Å; V265-H269 WeakPolarHBondContact O-CB 3.3Å; V265-H269 PolarHBondContact O-N 3.31Å
266	E	75.4	Confident	71.1	Confident	102 Å²	102	92.2 Å²	92.2	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-43.8	175.6	-72.4	173.4	-166.1	0	0	111.4	N263 K268 H269 H270	N263-E266 HydrophobicContact CB-CB 4.02Å; N263-E266 HydrophobicContact CB-CG 4.13Å; N263-E266 WeakPolarHBondContact ND2-CG 3.38Å; N263-E266 PolarHBondContact ND2-OE1 3.39Å; N263-E266 PolarHBondContact O-N 2.88Å; N263-E266 VanDerWaalsContact O-N 3.09Å; N263-E266 PolarHBondContact OD1-N 3.11Å; E266-K268 VanDerWaalsContact C-N 3.31Å; E266-K268 PolarHBondContact O-N 3.4Å; E266-H269 WeakPolarHBondContact O-CB 3.5Å; E266-H269 PolarHBondContact O-N 2.95Å; E266-H270 VanDerWaalsContact O-CB 3.24Å; E266-H270 WeakPolarHBondContact O-CB 3.31Å; E266-H270 PolarHBondContact O-N 3.49Å
267	S	76.3	Confident	70.5	Confident	14 Å²	14	100.2 Å²	100.2	10%	0.098	53%	0.525	C	S	.	.	H	α-helix	trans	-57.4	-44.6	174.8	-170.7	0	0	0	0	111.7	E262 N263 K271	E262-S267 WeakPolarHBondContact OE1-CB 3.43Å; E262-S267 PolarHBondContact OE1-OG 2.88Å; N263-S267 PolarHBondContact O-N 2.9Å; S267-K271 WeakPolarHBondContact O-CB 3.16Å; S267-K271 VanDerWaalsContact O-CG 3.26Å; S267-K271 WeakPolarHBondContact O-CG 3.13Å; S267-K271 PolarHBondContact O-N 3.46Å; S267-K271 PolarHBondContact OG-NZ 2.94Å
268	K	80.4	Confident	69.9	Low	141 Å²	141	98.4 Å²	98.4	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-66	-44.3	175.7	-176.9	179.8	177.6	-177.5	0	111.5	L264 V265 E266 K271 L272	L264-K268 WeakPolarHBondContact O-CB 3.28Å; L264-K268 PolarHBondContact O-N 3.36Å; V265-K268 PolarHBondContact O-N 2.9Å; E266-K268 VanDerWaalsContact C-N 3.31Å; E266-K268 PolarHBondContact O-N 3.4Å; K268-K271 PolarHBondContact O-N 3.45Å; K268-L272 HydrophobicContact CG-CD1 3.97Å; K268-L272 WeakPolarHBondContact O-CB 3.34Å; K268-L272 VanDerWaalsContact O-CG 3.26Å; K268-L272 WeakPolarHBondContact O-CG 3.12Å; K268-L272 PolarHBondContact O-N 3.34Å
269	H	79.5	Confident	69.5	Low	101 Å²	101	93.8 Å²	93.8	47%	0.468	50%	0.503	S	S	.	.	H	α-helix	trans	-58.1	-50.4	177.3	-179.5	-86.9	0	0	0	110.8	V265 E266 K271 L272 A273 D313	V265-H269 WeakPolarHBondContact O-CB 3.3Å; V265-H269 PolarHBondContact O-N 3.31Å; E266-H269 WeakPolarHBondContact O-CB 3.5Å; E266-H269 PolarHBondContact O-N 2.95Å; H269-K271 PolarHBondContact O-N 3.28Å; H269-L272 PolarHBondContact O-N 3.18Å; H269-L272 VanDerWaalsContact O-N 3.15Å; H269-A273 VanDerWaalsContact O-CB 3.32Å; H269-A273 WeakPolarHBondContact O-CB 3.46Å; H269-A273 PolarHBondContact O-N 3.26Å; H269-D313 IonicContact CE1-OD2 2.93Å; H269-D313 PolarHBondContact CE1-OD2 2.93Å; H269-D313 IonicContact ND1-OD2 3.45Å; H269-D313 PolarHBondContact ND1-OD2 2.9Å
270	H	77.6	Confident	69.2	Low	25 Å²	25	93 Å²	93	12%	0.116	51%	0.506	C	S	.	.	H	α-helix	trans	-58.2	-49.4	178.7	-168.2	103.6	0	0	0	112.1	E266 L272 A273 R274 D313	E266-H270 VanDerWaalsContact O-CB 3.24Å; E266-H270 WeakPolarHBondContact O-CB 3.31Å; E266-H270 PolarHBondContact O-N 3.49Å; H270-L272 VanDerWaalsContact C-N 3.26Å; H270-L272 PolarHBondContact O-N 3.3Å; H270-A273 PolarHBondContact O-N 3.05Å; H270-R274 PolarHBondContact CE1-NE 3.19Å; H270-R274 VanDerWaalsContact CE1-NE 3.34Å; H270-R274 PolarHBondContact CE1-NH1 2.78Å; H270-R274 PolarHBondContact CE1-NH2 3.31Å; H270-R274 VanDerWaalsContact ND1-CZ 3.35Å; H270-R274 PolarHBondContact ND1-NE 3.04Å; H270-R274 PolarHBondContact ND1-NH2 3.16Å; H270-R274 PolarHBondContact NE2-NE 3.12Å; H270-R274 PolarHBondContact NE2-NH1 2.93Å; H270-R274 WeakPolarHBondContact O-CB 3.27Å; H270-R274 VanDerWaalsContact O-CG 3.31Å; H270-R274 WeakPolarHBondContact O-CG 3.36Å; H270-R274 PolarHBondContact O-N 3.32Å; H270-D313 IonicContact ND1-OD1 2.65Å; H270-D313 PolarHBondContact ND1-OD1 3.49Å
271	K	76.8	Confident	69.1	Low	109 Å²	109	93.5 Å²	93.5	47%	0.474	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-33.7	177	-75	169.8	-177.4	158.8	0	112.7	S267 K268 H269 S275	S267-K271 WeakPolarHBondContact O-CB 3.16Å; S267-K271 VanDerWaalsContact O-CG 3.26Å; S267-K271 WeakPolarHBondContact O-CG 3.13Å; S267-K271 PolarHBondContact O-N 3.46Å; S267-K271 PolarHBondContact OG-NZ 2.94Å; K268-K271 PolarHBondContact O-N 3.45Å; H269-K271 PolarHBondContact O-N 3.28Å; K271-S275 WeakPolarHBondContact O-CA 3.28Å; K271-S275 WeakPolarHBondContact O-CB 3.38Å; K271-S275 PolarHBondContact O-N 3.22Å
272	L	76.3	Confident	69	Low	114 Å²	114	88.9 Å²	88.9	60%	0.597	47%	0.474	S	S	*	.	H	α-helix	trans	-77.8	-45.5	176.9	-70.7	172.1	0	0	0	112.1	K268 H269 H270 R274 S275	K268-L272 HydrophobicContact CG-CD1 3.97Å; K268-L272 WeakPolarHBondContact O-CB 3.34Å; K268-L272 VanDerWaalsContact O-CG 3.26Å; K268-L272 WeakPolarHBondContact O-CG 3.12Å; K268-L272 PolarHBondContact O-N 3.34Å; H269-L272 PolarHBondContact O-N 3.18Å; H269-L272 VanDerWaalsContact O-N 3.15Å; H270-L272 VanDerWaalsContact C-N 3.26Å; H270-L272 PolarHBondContact O-N 3.3Å; L272-R274 VanDerWaalsContact C-N 3.26Å; L272-R274 PolarHBondContact O-N 2.93Å; L272-S275 WeakPolarHBondContact O-CB 3.4Å; L272-S275 PolarHBondContact O-N 3.47Å
273	A	71.5	Confident	69.1	Low	51 Å²	51	87.9 Å²	87.9	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-62.7	-34.5	-179.9	0	0	0	0	0	112.2	H269 H270	H269-A273 VanDerWaalsContact O-CB 3.32Å; H269-A273 WeakPolarHBondContact O-CB 3.46Å; H269-A273 PolarHBondContact O-N 3.26Å; H270-A273 PolarHBondContact O-N 3.05Å
274	R	76.4	Confident	68.8	Low	17 Å²	17	91 Å²	91	6%	0.064	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-1	-179.1	-56.6	-176	-176	-166.4	-0.8	114	H270 L272 L276 D313 W316 C335 E343	H270-R274 PolarHBondContact CE1-NE 3.19Å; H270-R274 VanDerWaalsContact CE1-NE 3.34Å; H270-R274 PolarHBondContact CE1-NH1 2.78Å; H270-R274 PolarHBondContact CE1-NH2 3.31Å; H270-R274 VanDerWaalsContact ND1-CZ 3.35Å; H270-R274 PolarHBondContact ND1-NE 3.04Å; H270-R274 PolarHBondContact ND1-NH2 3.16Å; H270-R274 PolarHBondContact NE2-NE 3.12Å; H270-R274 PolarHBondContact NE2-NH1 2.93Å; H270-R274 WeakPolarHBondContact O-CB 3.27Å; H270-R274 VanDerWaalsContact O-CG 3.31Å; H270-R274 WeakPolarHBondContact O-CG 3.36Å; H270-R274 PolarHBondContact O-N 3.32Å; L272-R274 VanDerWaalsContact C-N 3.26Å; L272-R274 PolarHBondContact O-N 2.93Å; R274-L276 PolarHBondContact O-N 2.9Å; R274-D313 IonicContact CZ-OD1 3.47Å; R274-D313 IonicContact NE-OD1 3.87Å; R274-D313 PolarHBondContact NE-OD1 2.97Å; R274-D313 IonicContact NH2-OD1 3.45Å; R274-D313 PolarHBondContact NH2-OD1 3.48Å; R274-W316 HydrophobicContact CG-CG 4.11Å; R274-C335 PolarHBondContact NH1-O 3.03Å; R274-C335 PolarHBondContact NH2-O 3.16Å; R274-E343 VanDerWaalsContact CD-OE1 3.27Å; R274-E343 WeakPolarHBondContact CD-OE1 3.48Å; R274-E343 IonicContact NH1-OE2 2.78Å; R274-E343 PolarHBondContact NH1-OE2 2.83Å; R274-E343 VanDerWaalsContact NH1-OE2 3.16Å
275	S	68.1	Low	68.8	Low	48 Å²	48	87.5 Å²	87.5	34%	0.336	47%	0.468	S	S	.	.			trans	-56.7	126.1	-178.2	-172.5	0	0	0	0	111	K271 L272 R277 S278	K271-S275 WeakPolarHBondContact O-CA 3.28Å; K271-S275 WeakPolarHBondContact O-CB 3.38Å; K271-S275 PolarHBondContact O-N 3.22Å; L272-S275 WeakPolarHBondContact O-CB 3.4Å; L272-S275 PolarHBondContact O-N 3.47Å; S275-R277 PolarHBondContact O-N 3.4Å; S275-S278 WeakPolarHBondContact O-CB 3.41Å; S275-S278 PolarHBondContact O-N 2.95Å; S275-S278 PolarHBondContact O-OG 3.21Å
276	L	54.3	Low	69	Low	104 Å²	104	90.5 Å²	90.5	55%	0.545	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	0.1	176.2	-72.8	156.9	0	0	0	114.8	R274 S278 Q342	R274-L276 PolarHBondContact O-N 2.9Å; L276-S278 PolarHBondContact O-N 3.31Å; L276-Q342 HydrophobicContact CD1-CB 4.16Å; L276-Q342 HydrophobicContact CD1-CG 4.4Å; L276-Q342 VanDerWaalsContact CD1-OE1 3.29Å
277	R	55.3	Low	69.4	Low	241 Å²	241	86.6 Å²	86.6	91%	0.909	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21	163.5	-86.2	-174	173.2	-127.9	0.3	112.4	S275 G279	S275-R277 PolarHBondContact O-N 3.4Å; R277-G279 PolarHBondContact O-N 3.17Å; R277-G279 VanDerWaalsContact O-N 3.12Å
278	S	53.8	Low	70	Confident	67 Å²	67	90.5 Å²	90.5	47%	0.469	48%	0.475	S	S	.	.	S	Bend	trans	-71.3	95.4	162.3	-61.1	0	0	0	0	107.8	S275 L276	S275-S278 WeakPolarHBondContact O-CB 3.41Å; S275-S278 PolarHBondContact O-N 2.95Å; S275-S278 PolarHBondContact O-OG 3.21Å; L276-S278 PolarHBondContact O-N 3.31Å
279	G	52.3	Low	70.4	Confident	36 Å²	36	87.1 Å²	87.1	37%	0.371	47%	0.474	S	S	.	.			trans	-71.7	-155.8	-163.7	0	0	0	0	0	117.3	R277 S281	R277-G279 PolarHBondContact O-N 3.17Å; R277-G279 VanDerWaalsContact O-N 3.12Å; G279-S281 PolarHBondContact O-N 3.48Å
280	P	53.1	Low	70.9	Confident	127 Å²	127	85.3 Å²	85.3	83%	0.825	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-58.7	-9.7	-175.5	-23.6	33.2	0	0	0	116.4	D282	P280-D282 VanDerWaalsContact C-N 3.26Å; P280-D282 PolarHBondContact O-N 3.3Å
281	S	56.6	Low	71.4	Confident	95 Å²	95	85 Å²	85	66%	0.664	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-73.3	-9.9	-174	-44.2	0	0	0	0	114.8	G279 H283	G279-S281 PolarHBondContact O-N 3.48Å; S281-H283 VanDerWaalsContact C-N 3.25Å; S281-H283 PolarHBondContact O-N 3.17Å
282	D	63.3	Low	72	Confident	29 Å²	29	85.2 Å²	85.2	16%	0.155	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-67.6	-25	177.8	-88.6	7.2	0	0	0	112.9	P280 D284 L285 R319 Y320	P280-D282 VanDerWaalsContact C-N 3.26Å; P280-D282 PolarHBondContact O-N 3.3Å; D282-D284 VanDerWaalsContact C-N 3.27Å; D282-D284 PolarHBondContact O-N 3.03Å; D282-L285 WeakPolarHBondContact O-CB 3.4Å; D282-L285 PolarHBondContact O-N 3.15Å; D282-R319 IonicContact OD2-CZ 2.68Å; D282-R319 IonicContact OD2-NH1 3.21Å; D282-R319 PolarHBondContact OD2-NH1 3.02Å; D282-R319 IonicContact OD2-NH2 3.98Å; D282-R319 PolarHBondContact OD2-NH2 3.4Å; D282-Y320 HydrophobicContact CB-CD2 4.22Å; D282-Y320 HydrophobicContact CB-CE2 4.01Å
283	H	68.8	Low	72.7	Confident	107 Å²	107	83.2 Å²	83.2	50%	0.495	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-68.2	-27.7	-173.5	-140.6	-73	0	0	0	113	S281 Y320	S281-H283 VanDerWaalsContact C-N 3.25Å; S281-H283 PolarHBondContact O-N 3.17Å; H283-Y320 AromaticContact CD2-CD1 3.57Å; H283-Y320 AromaticContact CD2-CE1 3.28Å; H283-Y320 WeakPolarHBondContact CD2-CE1 3.26Å; H283-Y320 AromaticContact CD2-CZ 3.68Å; H283-Y320 AromaticContact CE1-CD1 3.84Å; H283-Y320 AromaticContact NE2-CD1 3.47Å; H283-Y320 WeakPolarHBondContact NE2-CD1 3.4Å; H283-Y320 AromaticContact NE2-CE1 3.32Å; H283-Y320 VanDerWaalsContact NE2-CE1 3.32Å; H283-Y320 WeakPolarHBondContact NE2-CE1 3.5Å
284	D	71.2	Confident	73.6	Confident	139 Å²	139	85.8 Å²	85.8	74%	0.743	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-102.4	4.2	179.6	-65.3	-39.1	0	0	0	113	D282 K286	D282-D284 VanDerWaalsContact C-N 3.27Å; D282-D284 PolarHBondContact O-N 3.03Å; D284-K286 PolarHBondContact O-N 3.27Å
285	L	78.3	Confident	74.3	Confident	59 Å²	59	85.1 Å²	85.1	31%	0.309	47%	0.465	S	S	.	.			trans	-72.3	112.3	-174.4	-162.9	80.1	0	0	0	110.7	D282 K317 F318	D282-L285 WeakPolarHBondContact O-CB 3.4Å; D282-L285 PolarHBondContact O-N 3.15Å; L285-K317 HydrophobicContact CD2-CD 4.32Å; L285-K317 HydrophobicContact CD2-CG 3.75Å; L285-F318 HydrophobicContact CD2-CD1 3.99Å; L285-F318 HydrophobicContact CD2-CE1 3.56Å; L285-F318 HydrophobicContact CD2-CZ 4.01Å; L285-F318 HydrophobicContact CG-CD1 4.32Å; L285-F318 HydrophobicContact CG-CE1 3.78Å
286	K	83.3	Confident	75.3	Confident	174 Å²	174	85.8 Å²	85.8	76%	0.757	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-101.9	134.4	175.1	-66.8	179.5	-177.6	176.6	0	110.5	D284	D284-K286 PolarHBondContact O-N 3.27Å
287	P	85	Confident	77.1	Confident	20 Å²	20	85.2 Å²	85.2	13%	0.13	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-67.1	146.2	178.4	27.2	-32.7	0	0	0	110.9	T291 R292 L295 F318 Y321	P287-T291 HydrophobicContact CB-CG2 3.91Å; P287-R292 HydrophobicContact CB-CB 4.27Å; P287-R292 HydrophobicContact CG-CB 4.13Å; P287-R292 HydrophobicContact CG-CG 4.48Å; P287-L295 HydrophobicContact CB-CD1 4.14Å; P287-L295 HydrophobicContact CG-CD1 4.28Å; P287-F318 HydrophobicContact CB-CD1 3.93Å; P287-F318 HydrophobicContact CB-CE1 3.71Å; P287-F318 HydrophobicContact CB-CE2 4.45Å; P287-F318 HydrophobicContact CB-CG 4.38Å; P287-F318 HydrophobicContact CB-CZ 3.99Å; P287-F318 HydrophobicContact CG-CD1 4.28Å; P287-F318 HydrophobicContact CG-CE1 4.44Å; P287-Y321 HydrophobicContact CG-CD1 3.86Å; P287-Y321 HydrophobicContact CG-CD2 4.35Å; P287-Y321 HydrophobicContact CG-CE1 3.74Å; P287-Y321 HydrophobicContact CG-CE2 4.23Å; P287-Y321 HydrophobicContact CG-CG 4.17Å
288	N	88.9	Confident	78.7	Confident	96 Å²	96	74 Å²	74	51%	0.513	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-69	168.7	167.9	72.6	35.6	0	0	0	110	A290 T291 R292	N288-A290 VanDerWaalsContact C-N 3.35Å; N288-A290 PolarHBondContact O-N 3.2Å; N288-A290 PolarHBondContact OD1-N 3.3Å; N288-A290 VanDerWaalsContact OD1-N 3.14Å; N288-T291 PolarHBondContact ND2-OG1 3.12Å; N288-T291 PolarHBondContact O-N 3.36Å; N288-T291 VanDerWaalsContact OD1-CB 3.31Å; N288-T291 WeakPolarHBondContact OD1-CB 3.34Å; N288-T291 PolarHBondContact OD1-N 2.77Å; N288-T291 PolarHBondContact OD1-OG1 2.88Å; N288-R292 WeakPolarHBondContact O-CB 3.43Å; N288-R292 PolarHBondContact O-N 2.8Å
289	A	88.4	Confident	80.4	Confident	71 Å²	71	71.9 Å²	71.9	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-56.1	-45.9	-176.3	0	0	0	0	0	113	R292 D293	A289-R292 PolarHBondContact O-N 2.79Å; A289-D293 PolarHBondContact O-N 3.11Å
290	A	90.1	Very high	82.2	Confident	63 Å²	63	74.4 Å²	74.4	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-44.3	179.5	0	0	0	0	0	112.4	N288 D293 Q294	N288-A290 VanDerWaalsContact C-N 3.35Å; N288-A290 PolarHBondContact O-N 3.2Å; N288-A290 PolarHBondContact OD1-N 3.3Å; N288-A290 VanDerWaalsContact OD1-N 3.14Å; A290-D293 PolarHBondContact O-N 3.29Å; A290-Q294 WeakPolarHBondContact O-CG 3.38Å; A290-Q294 PolarHBondContact O-N 2.96Å
291	T	88.4	Confident	84	Confident	19 Å²	19	70.3 Å²	70.3	12%	0.117	38%	0.384	C	S	.	.	H	α-helix	trans	-67	-36.6	177.9	-58.8	0	0	0	0	111.7	P287 N288 D293 Q294 L295 L314 F318	P287-T291 HydrophobicContact CB-CG2 3.91Å; N288-T291 PolarHBondContact ND2-OG1 3.12Å; N288-T291 PolarHBondContact O-N 3.36Å; N288-T291 VanDerWaalsContact OD1-CB 3.31Å; N288-T291 WeakPolarHBondContact OD1-CB 3.34Å; N288-T291 PolarHBondContact OD1-N 2.77Å; N288-T291 PolarHBondContact OD1-OG1 2.88Å; T291-D293 VanDerWaalsContact C-N 3.34Å; T291-Q294 PolarHBondContact O-N 3.42Å; T291-L295 HydrophobicContact CG2-CD1 4.29Å; T291-L295 HydrophobicContact CG2-CG 4.49Å; T291-L295 WeakPolarHBondContact O-CB 3.47Å; T291-L295 VanDerWaalsContact O-CG 3.29Å; T291-L295 WeakPolarHBondContact O-CG 3.36Å; T291-L295 PolarHBondContact O-N 2.67Å; T291-L314 HydrophobicContact CG2-CD1 3.89Å; T291-L314 HydrophobicContact CG2-CD2 4.36Å; T291-L314 HydrophobicContact CG2-CG 4.41Å; T291-F318 HydrophobicContact CG2-CD2 4.04Å; T291-F318 HydrophobicContact CG2-CE2 3.42Å; T291-F318 VanDerWaalsContact CG2-CE2 3.42Å; T291-F318 HydrophobicContact CG2-CZ 3.9Å
292	R	89.1	Confident	85.4	Confident	112 Å²	112	69.2 Å²	69.2	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-43.7	174.2	-173.9	-161.3	67.9	156.1	1.4	110.8	P287 N288 A289 Q294 L295 N296	P287-R292 HydrophobicContact CB-CB 4.27Å; P287-R292 HydrophobicContact CG-CB 4.13Å; P287-R292 HydrophobicContact CG-CG 4.48Å; N288-R292 WeakPolarHBondContact O-CB 3.43Å; N288-R292 PolarHBondContact O-N 2.8Å; A289-R292 PolarHBondContact O-N 2.79Å; R292-Q294 VanDerWaalsContact C-N 3.35Å; R292-L295 PolarHBondContact O-N 3.28Å; R292-N296 VanDerWaalsContact O-CG 3.31Å; R292-N296 PolarHBondContact O-N 3.1Å; R292-N296 PolarHBondContact O-ND2 2.87Å
293	D	90.1	Very high	86.3	Confident	73 Å²	73	71.2 Å²	71.2	39%	0.39	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-38.8	179.2	-63.1	-13.3	0	0	0	110.8	A289 A290 T291 N296 I297	A289-D293 PolarHBondContact O-N 3.11Å; A290-D293 PolarHBondContact O-N 3.29Å; T291-D293 VanDerWaalsContact C-N 3.34Å; D293-N296 PolarHBondContact O-N 3.49Å; D293-I297 VanDerWaalsContact O-CG1 3.3Å; D293-I297 WeakPolarHBondContact O-CG1 3.29Å; D293-I297 PolarHBondContact O-N 2.78Å
294	Q	90.8	Very high	87.1	Confident	105 Å²	105	72.2 Å²	72.2	49%	0.491	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-46.5	170.3	-74	178.2	-34.8	0	0	112.8	A290 T291 R292 N296 I297 I298	A290-Q294 WeakPolarHBondContact O-CG 3.38Å; A290-Q294 PolarHBondContact O-N 2.96Å; T291-Q294 PolarHBondContact O-N 3.42Å; R292-Q294 VanDerWaalsContact C-N 3.35Å; Q294-N296 VanDerWaalsContact C-N 3.32Å; Q294-N296 PolarHBondContact O-N 3.46Å; Q294-I297 WeakPolarHBondContact O-CB 3.01Å; Q294-I297 PolarHBondContact O-N 3.36Å; Q294-I298 WeakPolarHBondContact O-CG1 3.49Å; Q294-I298 PolarHBondContact O-N 3.17Å
295	L	90.6	Very high	87.8	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-41.5	176.9	-75.2	170.9	0	0	0	111.5	P287 T291 R292 I297 I298 V299 L314 V315 F318 L322	P287-L295 HydrophobicContact CB-CD1 4.14Å; P287-L295 HydrophobicContact CG-CD1 4.28Å; T291-L295 HydrophobicContact CG2-CD1 4.29Å; T291-L295 HydrophobicContact CG2-CG 4.49Å; T291-L295 WeakPolarHBondContact O-CB 3.47Å; T291-L295 VanDerWaalsContact O-CG 3.29Å; T291-L295 WeakPolarHBondContact O-CG 3.36Å; T291-L295 PolarHBondContact O-N 2.67Å; R292-L295 PolarHBondContact O-N 3.28Å; L295-I297 VanDerWaalsContact C-N 3.33Å; L295-I297 PolarHBondContact O-N 3.19Å; L295-I298 PolarHBondContact O-N 2.96Å; L295-V299 VanDerWaalsContact O-CG2 3.27Å; L295-V299 WeakPolarHBondContact O-CG2 3.46Å; L295-V299 PolarHBondContact O-N 3.42Å; L295-L314 HydrophobicContact CD2-CD2 4.19Å; L295-L314 HydrophobicContact CD2-CG 4.09Å; L295-L314 HydrophobicContact CG-CD2 4.43Å; L295-V315 HydrophobicContact CD2-CG2 4.22Å; L295-F318 HydrophobicContact CD1-CB 3.86Å; L295-F318 HydrophobicContact CD1-CD2 3.93Å; L295-F318 HydrophobicContact CD1-CG 3.96Å; L295-L322 HydrophobicContact CD2-CD1 4.36Å
296	N	90.3	Very high	88	Confident	63 Å²	63	75.3 Å²	75.3	34%	0.337	41%	0.41	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176.3	-71.5	-26.7	0	0	0	112.1	R292 D293 Q294 V299 S300 Q325	R292-N296 VanDerWaalsContact O-CG 3.31Å; R292-N296 PolarHBondContact O-N 3.1Å; R292-N296 PolarHBondContact O-ND2 2.87Å; D293-N296 PolarHBondContact O-N 3.49Å; Q294-N296 VanDerWaalsContact C-N 3.32Å; Q294-N296 PolarHBondContact O-N 3.46Å; N296-V299 PolarHBondContact O-N 3.27Å; N296-S300 WeakPolarHBondContact O-CB 3.02Å; N296-S300 PolarHBondContact O-N 3.3Å; N296-Q325 PolarHBondContact OD1-NE2 3.13Å
297	I	90.8	Very high	88.2	Confident	91 Å²	91	67.9 Å²	67.9	47%	0.467	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-47.3	173	-68.3	163.1	0	0	0	110.1	D293 Q294 L295 V299 S300 Y301	D293-I297 VanDerWaalsContact O-CG1 3.3Å; D293-I297 WeakPolarHBondContact O-CG1 3.29Å; D293-I297 PolarHBondContact O-N 2.78Å; Q294-I297 WeakPolarHBondContact O-CB 3.01Å; Q294-I297 PolarHBondContact O-N 3.36Å; L295-I297 VanDerWaalsContact C-N 3.33Å; L295-I297 PolarHBondContact O-N 3.19Å; I297-V299 VanDerWaalsContact C-N 3.35Å; I297-V299 PolarHBondContact O-N 3.05Å; I297-S300 PolarHBondContact O-N 3.42Å; I297-S300 VanDerWaalsContact O-N 3.13Å; I297-S300 PolarHBondContact O-OG 2.72Å; I297-Y301 HydrophobicContact CG2-CD1 4.46Å; I297-Y301 HydrophobicContact CG2-CE1 3.6Å; I297-Y301 WeakPolarHBondContact O-CD1 3.36Å; I297-Y301 WeakPolarHBondContact O-CE1 3.27Å; I297-Y301 PolarHBondContact O-N 3.25Å
298	I	89.9	Confident	88.3	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-60.4	-43.6	178.6	-67.4	164.8	0	0	0	111.4	Q294 L295 S300 Y301 L307 E311 L314 V315	Q294-I298 WeakPolarHBondContact O-CG1 3.49Å; Q294-I298 PolarHBondContact O-N 3.17Å; L295-I298 PolarHBondContact O-N 2.96Å; I298-S300 VanDerWaalsContact C-N 3.27Å; I298-S300 PolarHBondContact O-N 3Å; I298-Y301 HydrophobicContact CB-CE2 4.33Å; I298-Y301 HydrophobicContact CG1-CE2 4.08Å; I298-Y301 HydrophobicContact CG2-CD2 4.41Å; I298-Y301 HydrophobicContact CG2-CE2 4.45Å; I298-Y301 VanDerWaalsContact O-CB 3.32Å; I298-Y301 WeakPolarHBondContact O-CB 3.45Å; I298-Y301 PolarHBondContact O-N 3.35Å; I298-L307 HydrophobicContact CG2-CD2 3.6Å; I298-E311 HydrophobicContact CD1-CB 4.08Å; I298-E311 HydrophobicContact CD1-CG 3.93Å; I298-E311 HydrophobicContact CG1-CG 4.25Å; I298-L314 HydrophobicContact CD1-CD2 4.16Å; I298-V315 HydrophobicContact CG2-CG2 3.97Å
299	V	89.3	Confident	87.9	Confident	23 Å²	23	66.9 Å²	66.9	14%	0.139	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-33.7	177.5	172.6	0	0	0	0	111.4	L295 N296 I297 Y301 K327 A328	L295-V299 VanDerWaalsContact O-CG2 3.27Å; L295-V299 WeakPolarHBondContact O-CG2 3.46Å; L295-V299 PolarHBondContact O-N 3.42Å; N296-V299 PolarHBondContact O-N 3.27Å; I297-V299 VanDerWaalsContact C-N 3.35Å; I297-V299 PolarHBondContact O-N 3.05Å; V299-Y301 PolarHBondContact O-N 3.16Å; V299-K327 HydrophobicContact CG1-CB 3.84Å; V299-A328 HydrophobicContact CG1-CB 4.38Å; V299-A328 HydrophobicContact CG2-CB 3.72Å
300	S	89.6	Confident	87.7	Confident	88 Å²	88	70.7 Å²	70.7	62%	0.615	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.3	177.9	75.9	0	0	0	0	114.9	N296 I297 I298	N296-S300 WeakPolarHBondContact O-CB 3.02Å; N296-S300 PolarHBondContact O-N 3.3Å; I297-S300 PolarHBondContact O-N 3.42Å; I297-S300 VanDerWaalsContact O-N 3.13Å; I297-S300 PolarHBondContact O-OG 2.72Å; I298-S300 VanDerWaalsContact C-N 3.27Å; I298-S300 PolarHBondContact O-N 3Å
301	Y	90.7	Very high	87.6	Confident	41 Å²	41	69.4 Å²	69.4	16%	0.161	37%	0.368	C	S	.	.	S	Bend	trans	-62.8	144.2	-178.8	-71.3	-15.6	0	0	0	112.6	I297 I298 V299 K305 L307 E311 K331	I297-Y301 HydrophobicContact CG2-CD1 4.46Å; I297-Y301 HydrophobicContact CG2-CE1 3.6Å; I297-Y301 WeakPolarHBondContact O-CD1 3.36Å; I297-Y301 WeakPolarHBondContact O-CE1 3.27Å; I297-Y301 PolarHBondContact O-N 3.25Å; I298-Y301 HydrophobicContact CB-CE2 4.33Å; I298-Y301 HydrophobicContact CG1-CE2 4.08Å; I298-Y301 HydrophobicContact CG2-CD2 4.41Å; I298-Y301 HydrophobicContact CG2-CE2 4.45Å; I298-Y301 VanDerWaalsContact O-CB 3.32Å; I298-Y301 WeakPolarHBondContact O-CB 3.45Å; I298-Y301 PolarHBondContact O-N 3.35Å; V299-Y301 PolarHBondContact O-N 3.16Å; Y301-K305 HydrophobicContact CD1-CD 4.02Å; Y301-K305 HydrophobicContact CD2-CD 3.69Å; Y301-K305 HydrophobicContact CD2-CG 4.23Å; Y301-K305 HydrophobicContact CE1-CD 4.29Å; Y301-K305 HydrophobicContact CE2-CD 3.99Å; Y301-K305 HydrophobicContact CG-CD 3.72Å; Y301-K305 HydrophobicContact CG-CG 4.48Å; Y301-K305 PolarHBondContact OH-NZ 3.45Å; Y301-L307 HydrophobicContact CD2-CD2 3.88Å; Y301-L307 HydrophobicContact CE2-CD2 4.13Å; Y301-E311 VanDerWaalsContact CE2-OE1 3.3Å; Y301-E311 WeakPolarHBondContact CE2-OE1 3.32Å; Y301-E311 PolarHBondContact OH-OE1 3.34Å; Y301-K331 VanDerWaalsContact O-CE 3.28Å; Y301-K331 WeakPolarHBondContact O-CE 3.31Å; Y301-K331 PolarHBondContact O-NZ 3.01Å
302	P	87.4	Confident	87.6	Confident	72 Å²	72	70.8 Å²	70.8	47%	0.468	37%	0.373	S	S	.	.			trans	-60.8	150.7	174.5	26.3	-33.5	0	0	0	110.7	T304 K305 K331	P302-T304 PolarHBondContact O-N 3.17Å; P302-K305 HydrophobicContact CG-CB 4.1Å; P302-K305 PolarHBondContact O-N 2.88Å; P302-K305 VanDerWaalsContact O-N 3.09Å; P302-K331 PolarHBondContact O-NZ 2.81Å
303	P	82.1	Confident	87.4	Confident	72 Å²	72	66.2 Å²	66.2	47%	0.468	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.3	178	-32.6	38.8	0	0	0	114.9	K334 E364	P303-K334 PolarHBondContact O-NZ 2.76Å; P303-E364 HydrophobicContact CB-CG 4.39Å
304	T	83.9	Confident	87.3	Confident	128 Å²	128	64.6 Å²	64.6	79%	0.785	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.7	-177.2	53	0	0	0	0	114.3	P302 Q306	P302-T304 PolarHBondContact O-N 3.17Å; T304-Q306 PolarHBondContact O-N 3.33Å
305	K	86.2	Confident	87.3	Confident	88 Å²	88	59.7 Å²	59.7	38%	0.383	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-75.8	124.9	180	-178.9	166.9	173.7	-177.7	0	110.1	Y301 P302	Y301-K305 HydrophobicContact CD1-CD 4.02Å; Y301-K305 HydrophobicContact CD2-CD 3.69Å; Y301-K305 HydrophobicContact CD2-CG 4.23Å; Y301-K305 HydrophobicContact CE1-CD 4.29Å; Y301-K305 HydrophobicContact CE2-CD 3.99Å; Y301-K305 HydrophobicContact CG-CD 3.72Å; Y301-K305 HydrophobicContact CG-CG 4.48Å; Y301-K305 PolarHBondContact OH-NZ 3.45Å; P302-K305 HydrophobicContact CG-CB 4.1Å; P302-K305 PolarHBondContact O-N 2.88Å; P302-K305 VanDerWaalsContact O-N 3.09Å
306	Q	83.9	Confident	87.1	Confident	174 Å²	174	60 Å²	60	81%	0.813	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-76.7	139.5	171.4	-65.9	-171.5	-12.3	0	0	110.2	T304	T304-Q306 PolarHBondContact O-N 3.33Å
307	L	85.7	Confident	86.9	Confident	19 Å²	19	62.2 Å²	62.2	10%	0.099	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-87.1	136.4	179.5	-66.4	167.1	0	0	0	109.8	I298 Y301 E311 Q312 K331 C335	I298-L307 HydrophobicContact CG2-CD2 3.6Å; Y301-L307 HydrophobicContact CD2-CD2 3.88Å; Y301-L307 HydrophobicContact CE2-CD2 4.13Å; L307-E311 HydrophobicContact CB-CB 4.43Å; L307-E311 HydrophobicContact CD2-CB 4.32Å; L307-Q312 HydrophobicContact CB-CG 3.67Å; L307-Q312 HydrophobicContact CD1-CG 4.49Å; L307-Q312 PolarHBondContact O-NE2 2.96Å; L307-K331 HydrophobicContact CD1-CB 4.43Å; L307-C335 WeakPolarHBondContact CD1-SG 3.46Å
308	S	87.3	Confident	86.8	Confident	52 Å²	52	58.6 Å²	58.6	36%	0.364	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-67.3	160.6	172.7	77	0	0	0	0	111.3	E310 E311 Q312	S308-E310 VanDerWaalsContact C-N 3.27Å; S308-E310 PolarHBondContact O-N 3.33Å; S308-E311 PolarHBondContact N-OE2 3.12Å; S308-E311 PolarHBondContact O-N 2.84Å; S308-E311 VanDerWaalsContact OG-CG 3.29Å; S308-E311 WeakPolarHBondContact OG-CG 3.45Å; S308-E311 PolarHBondContact OG-N 3.47Å; S308-Q312 VanDerWaalsContact O-CG 3.27Å; S308-Q312 WeakPolarHBondContact O-CG 3.34Å; S308-Q312 PolarHBondContact O-N 2.96Å
309	S	82.1	Confident	86.7	Confident	42 Å²	42	58.9 Å²	58.9	29%	0.294	32%	0.315	S	S	.	.	H	α-helix	trans	-55.8	-42.1	176.8	50.7	0	0	0	0	112.3	Q312 D313	S309-Q312 PolarHBondContact O-N 3.14Å; S309-D313 VanDerWaalsContact O-CG 3.32Å; S309-D313 PolarHBondContact O-N 2.88Å
310	E	83.9	Confident	86.7	Confident	151 Å²	151	60 Å²	60	71%	0.706	32%	0.317	S	S	*	.	H	α-helix	trans	-63.8	-43.4	176.1	-61.9	-178.9	177.1	0	0	112.6	S308 Q312 D313 L314	S308-E310 VanDerWaalsContact C-N 3.27Å; S308-E310 PolarHBondContact O-N 3.33Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; E310-D313 PolarHBondContact O-N 3.34Å; E310-L314 WeakPolarHBondContact O-CB 3.34Å; E310-L314 PolarHBondContact O-N 2.97Å
311	E	87.8	Confident	86.6	Confident	37 Å²	37	59.3 Å²	59.3	17%	0.173	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-40.7	177.1	-72.5	175.1	148.4	0	0	110.9	I298 Y301 L307 S308 L314 V315	I298-E311 HydrophobicContact CD1-CB 4.08Å; I298-E311 HydrophobicContact CD1-CG 3.93Å; I298-E311 HydrophobicContact CG1-CG 4.25Å; Y301-E311 VanDerWaalsContact CE2-OE1 3.3Å; Y301-E311 WeakPolarHBondContact CE2-OE1 3.32Å; Y301-E311 PolarHBondContact OH-OE1 3.34Å; L307-E311 HydrophobicContact CB-CB 4.43Å; L307-E311 HydrophobicContact CD2-CB 4.32Å; S308-E311 PolarHBondContact N-OE2 3.12Å; S308-E311 PolarHBondContact O-N 2.84Å; S308-E311 VanDerWaalsContact OG-CG 3.29Å; S308-E311 WeakPolarHBondContact OG-CG 3.45Å; S308-E311 PolarHBondContact OG-N 3.47Å; E311-L314 PolarHBondContact O-N 2.89Å; E311-V315 WeakPolarHBondContact O-CG2 3.28Å; E311-V315 PolarHBondContact O-N 2.84Å
312	Q	88.3	Confident	86.5	Confident	47 Å²	47	57.4 Å²	57.4	22%	0.22	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-44.4	177.4	-67.6	176.9	27.3	0	0	111.9	L307 S308 S309 E310 L314 V315 W316 C335	L307-Q312 HydrophobicContact CB-CG 3.67Å; L307-Q312 HydrophobicContact CD1-CG 4.49Å; L307-Q312 PolarHBondContact O-NE2 2.96Å; S308-Q312 VanDerWaalsContact O-CG 3.27Å; S308-Q312 WeakPolarHBondContact O-CG 3.34Å; S308-Q312 PolarHBondContact O-N 2.96Å; S309-Q312 PolarHBondContact O-N 3.14Å; E310-Q312 VanDerWaalsContact C-N 3.34Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 3.33Å; Q312-V315 PolarHBondContact O-N 3.03Å; Q312-W316 WeakPolarHBondContact O-CB 3.48Å; Q312-W316 PolarHBondContact O-N 3.36Å; Q312-C335 HydrophobicContact CB-CB 3.94Å; Q312-C335 HydrophobicContact CG-CB 4.12Å
313	D	85.7	Confident	86.5	Confident	16 Å²	16	55.1 Å²	55.1	9%	0.086	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-34.3	177.8	-71	-12.8	0	0	0	111.5	H269 H270 R274 S309 E310 W316 K317	H269-D313 IonicContact CE1-OD2 2.93Å; H269-D313 PolarHBondContact CE1-OD2 2.93Å; H269-D313 IonicContact ND1-OD2 3.45Å; H269-D313 PolarHBondContact ND1-OD2 2.9Å; H270-D313 IonicContact ND1-OD1 2.65Å; H270-D313 PolarHBondContact ND1-OD1 3.49Å; R274-D313 IonicContact CZ-OD1 3.47Å; R274-D313 IonicContact NE-OD1 3.87Å; R274-D313 PolarHBondContact NE-OD1 2.97Å; R274-D313 IonicContact NH2-OD1 3.45Å; R274-D313 PolarHBondContact NH2-OD1 3.48Å; S309-D313 VanDerWaalsContact O-CG 3.32Å; S309-D313 PolarHBondContact O-N 2.88Å; E310-D313 PolarHBondContact O-N 3.34Å; D313-W316 PolarHBondContact O-N 2.95Å; D313-K317 WeakPolarHBondContact O-CB 3.33Å; D313-K317 PolarHBondContact O-N 3.43Å
314	L	87.9	Confident	86.8	Confident	39 Å²	39	56 Å²	56	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-45.5	174.1	-167.8	68.3	0	0	0	112.1	T291 L295 I298 E310 E311 Q312 W316 K317 F318	T291-L314 HydrophobicContact CG2-CD1 3.89Å; T291-L314 HydrophobicContact CG2-CD2 4.36Å; T291-L314 HydrophobicContact CG2-CG 4.41Å; L295-L314 HydrophobicContact CD2-CD2 4.19Å; L295-L314 HydrophobicContact CD2-CG 4.09Å; L295-L314 HydrophobicContact CG-CD2 4.43Å; I298-L314 HydrophobicContact CD1-CD2 4.16Å; E310-L314 WeakPolarHBondContact O-CB 3.34Å; E310-L314 PolarHBondContact O-N 2.97Å; E311-L314 PolarHBondContact O-N 2.89Å; Q312-L314 VanDerWaalsContact C-N 3.3Å; Q312-L314 PolarHBondContact O-N 3.33Å; L314-W316 VanDerWaalsContact C-N 3.33Å; L314-K317 PolarHBondContact O-N 3.26Å; L314-F318 HydrophobicContact CD1-CD2 4.09Å; L314-F318 HydrophobicContact CD1-CE2 3.82Å; L314-F318 HydrophobicContact CG-CD2 4.41Å; L314-F318 WeakPolarHBondContact O-CD2 3.12Å; L314-F318 PolarHBondContact O-N 3.37Å
315	V	89.1	Confident	87	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-41.8	175.6	170.2	0	0	0	0	110.7	L295 I298 E311 Q312 F318 R319 L322 F332	L295-V315 HydrophobicContact CD2-CG2 4.22Å; I298-V315 HydrophobicContact CG2-CG2 3.97Å; E311-V315 WeakPolarHBondContact O-CG2 3.28Å; E311-V315 PolarHBondContact O-N 2.84Å; Q312-V315 PolarHBondContact O-N 3.03Å; V315-F318 PolarHBondContact O-N 3.31Å; V315-R319 PolarHBondContact O-N 3.35Å; V315-R319 VanDerWaalsContact O-N 3.16Å; V315-L322 HydrophobicContact CB-CD1 4.43Å; V315-L322 HydrophobicContact CG1-CD1 3.88Å; V315-F332 HydrophobicContact CG1-CB 4.18Å; V315-F332 HydrophobicContact CG1-CD2 4.27Å
316	W	88.1	Confident	87.2	Confident	9 Å²	9	50.1 Å²	50.1	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-43.2	176	-174.4	-95.7	0	0	0	112.1	R274 Q312 D313 L314 F318 R319 F332 V336 E343 Q346	R274-W316 HydrophobicContact CG-CG 4.11Å; Q312-W316 WeakPolarHBondContact O-CB 3.48Å; Q312-W316 PolarHBondContact O-N 3.36Å; D313-W316 PolarHBondContact O-N 2.95Å; L314-W316 VanDerWaalsContact C-N 3.33Å; W316-F318 PolarHBondContact O-N 2.86Å; W316-R319 VanDerWaalsContact O-CB 3.28Å; W316-R319 WeakPolarHBondContact O-CB 3.39Å; W316-R319 WeakPolarHBondContact O-CD 3.37Å; W316-R319 WeakPolarHBondContact O-CG 3.47Å; W316-R319 PolarHBondContact O-N 3.41Å; W316-R319 PolarHBondContact O-NH1 3.03Å; W316-F332 AromaticContact CE3-CE2 3.81Å; W316-F332 HydrophobicContact CE3-CE2 3.81Å; W316-F332 HydrophobicContact CE3-CZ 4.39Å; W316-F332 AromaticContact CZ3-CE2 3.97Å; W316-F332 HydrophobicContact CZ3-CE2 3.97Å; W316-F332 HydrophobicContact CZ3-CZ 4.07Å; W316-V336 HydrophobicContact CE3-CG2 4.45Å; W316-V336 HydrophobicContact CZ3-CB 4.35Å; W316-V336 HydrophobicContact CZ3-CG1 4.09Å; W316-V336 HydrophobicContact CZ3-CG2 3.88Å; W316-E343 HydrophobicContact CH2-CB 3.64Å; W316-E343 HydrophobicContact CH2-CG 3.81Å; W316-E343 HydrophobicContact CZ2-CB 4.12Å; W316-E343 HydrophobicContact CZ2-CG 3.77Å; W316-E343 HydrophobicContact CZ3-CB 4.4Å; W316-Q346 VanDerWaalsContact CZ2-OE1 3.23Å
317	K	86.2	Confident	87.4	Confident	108 Å²	108	47.7 Å²	47.7	47%	0.47	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-42.3	179.2	-177.3	173	-179.4	173.3	0	112.8	L285 D313 L314	L285-K317 HydrophobicContact CD2-CD 4.32Å; L285-K317 HydrophobicContact CD2-CG 3.75Å; D313-K317 WeakPolarHBondContact O-CB 3.33Å; D313-K317 PolarHBondContact O-N 3.43Å; L314-K317 PolarHBondContact O-N 3.26Å
318	F	88.1	Confident	87.6	Confident	15 Å²	15	46.9 Å²	46.9	7%	0.066	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	20.7	180	-66.9	-75.8	0	0	0	113.9	L285 P287 T291 L295 L314 V315 W316 Y320 Y321 L322	L285-F318 HydrophobicContact CD2-CD1 3.99Å; L285-F318 HydrophobicContact CD2-CE1 3.56Å; L285-F318 HydrophobicContact CD2-CZ 4.01Å; L285-F318 HydrophobicContact CG-CD1 4.32Å; L285-F318 HydrophobicContact CG-CE1 3.78Å; P287-F318 HydrophobicContact CB-CD1 3.93Å; P287-F318 HydrophobicContact CB-CE1 3.71Å; P287-F318 HydrophobicContact CB-CE2 4.45Å; P287-F318 HydrophobicContact CB-CG 4.38Å; P287-F318 HydrophobicContact CB-CZ 3.99Å; P287-F318 HydrophobicContact CG-CD1 4.28Å; P287-F318 HydrophobicContact CG-CE1 4.44Å; T291-F318 HydrophobicContact CG2-CD2 4.04Å; T291-F318 HydrophobicContact CG2-CE2 3.42Å; T291-F318 VanDerWaalsContact CG2-CE2 3.42Å; T291-F318 HydrophobicContact CG2-CZ 3.9Å; L295-F318 HydrophobicContact CD1-CB 3.86Å; L295-F318 HydrophobicContact CD1-CD2 3.93Å; L295-F318 HydrophobicContact CD1-CG 3.96Å; L314-F318 HydrophobicContact CD1-CD2 4.09Å; L314-F318 HydrophobicContact CD1-CE2 3.82Å; L314-F318 HydrophobicContact CG-CD2 4.41Å; L314-F318 WeakPolarHBondContact O-CD2 3.12Å; L314-F318 PolarHBondContact O-N 3.37Å; V315-F318 PolarHBondContact O-N 3.31Å; W316-F318 PolarHBondContact O-N 2.86Å; F318-Y320 VanDerWaalsContact C-N 3.3Å; F318-Y320 PolarHBondContact O-N 3.3Å; F318-Y321 WeakPolarHBondContact O-CB 3.47Å; F318-Y321 PolarHBondContact O-N 3.45Å; F318-L322 WeakPolarHBondContact O-CG 3.37Å; F318-L322 PolarHBondContact O-N 3.44Å
319	R	88.3	Confident	87.8	Confident	12 Å²	12	44.4 Å²	44.4	5%	0.045	21%	0.213	C	C	.	.	H	α-helix	trans	-50.2	-43.4	-177	62.5	-166.6	175.1	-76	-3.4	114.1	D282 V315 W316 L322 T323 F332 Q346 L350	D282-R319 IonicContact OD2-CZ 2.68Å; D282-R319 IonicContact OD2-NH1 3.21Å; D282-R319 PolarHBondContact OD2-NH1 3.02Å; D282-R319 IonicContact OD2-NH2 3.98Å; D282-R319 PolarHBondContact OD2-NH2 3.4Å; V315-R319 PolarHBondContact O-N 3.35Å; V315-R319 VanDerWaalsContact O-N 3.16Å; W316-R319 VanDerWaalsContact O-CB 3.28Å; W316-R319 WeakPolarHBondContact O-CB 3.39Å; W316-R319 WeakPolarHBondContact O-CD 3.37Å; W316-R319 WeakPolarHBondContact O-CG 3.47Å; W316-R319 PolarHBondContact O-N 3.41Å; W316-R319 PolarHBondContact O-NH1 3.03Å; R319-L322 PolarHBondContact O-N 3.34Å; R319-T323 WeakPolarHBondContact O-CG2 3.35Å; R319-T323 PolarHBondContact O-N 2.89Å; R319-F332 HydrophobicContact CB-CD2 4.13Å; R319-F332 HydrophobicContact CB-CE2 3.65Å; R319-F332 HydrophobicContact CB-CZ 4.4Å; R319-Q346 VanDerWaalsContact NE-NE2 3.1Å; R319-L350 HydrophobicContact CB-CD1 4.05Å; R319-L350 HydrophobicContact CG-CD1 3.87Å
320	Y	87.9	Confident	88.2	Confident	48 Å²	48	42.7 Å²	42.7	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-39	179.6	-64.6	-76.2	0	0	0	112.7	D282 H283 F318 T323 Q346 L350	D282-Y320 HydrophobicContact CB-CD2 4.22Å; D282-Y320 HydrophobicContact CB-CE2 4.01Å; H283-Y320 AromaticContact CD2-CD1 3.57Å; H283-Y320 AromaticContact CD2-CE1 3.28Å; H283-Y320 WeakPolarHBondContact CD2-CE1 3.26Å; H283-Y320 AromaticContact CD2-CZ 3.68Å; H283-Y320 AromaticContact CE1-CD1 3.84Å; H283-Y320 AromaticContact NE2-CD1 3.47Å; H283-Y320 WeakPolarHBondContact NE2-CD1 3.4Å; H283-Y320 AromaticContact NE2-CE1 3.32Å; H283-Y320 VanDerWaalsContact NE2-CE1 3.32Å; H283-Y320 WeakPolarHBondContact NE2-CE1 3.5Å; F318-Y320 VanDerWaalsContact C-N 3.3Å; F318-Y320 PolarHBondContact O-N 3.3Å; Y320-T323 PolarHBondContact O-N 3.45Å; Y320-T323 PolarHBondContact O-OG1 3.19Å; Y320-Q346 PolarHBondContact OH-NE2 3.19Å; Y320-L350 HydrophobicContact CD1-CD2 3.74Å; Y320-L350 HydrophobicContact CE1-CD2 3.62Å
321	Y	87.3	Confident	88.5	Confident	72 Å²	72	36 Å²	36	28%	0.282	17%	0.17	S	C	.	.	H	α-helix	trans	-65.8	-40.7	175.4	172.6	-96.1	0	0	0	111.4	P287 F318 T323 T324	P287-Y321 HydrophobicContact CG-CD1 3.86Å; P287-Y321 HydrophobicContact CG-CD2 4.35Å; P287-Y321 HydrophobicContact CG-CE1 3.74Å; P287-Y321 HydrophobicContact CG-CE2 4.23Å; P287-Y321 HydrophobicContact CG-CG 4.17Å; F318-Y321 WeakPolarHBondContact O-CB 3.47Å; F318-Y321 PolarHBondContact O-N 3.45Å; Y321-T323 PolarHBondContact O-N 3.04Å; Y321-T324 PolarHBondContact O-N 3.18Å; Y321-T324 PolarHBondContact O-OG1 3.49Å
322	L	88.7	Confident	88.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-69.3	-17.9	-179	-67.6	174.4	0	0	0	113.8	L295 V315 F318 R319 T324 Q325 A328 W354	L295-L322 HydrophobicContact CD2-CD1 4.36Å; V315-L322 HydrophobicContact CB-CD1 4.43Å; V315-L322 HydrophobicContact CG1-CD1 3.88Å; F318-L322 WeakPolarHBondContact O-CG 3.37Å; F318-L322 PolarHBondContact O-N 3.44Å; R319-L322 PolarHBondContact O-N 3.34Å; L322-T324 PolarHBondContact O-N 3.38Å; L322-Q325 PolarHBondContact O-N 3.22Å; L322-A328 HydrophobicContact CB-CB 4.22Å; L322-A328 HydrophobicContact CD2-CB 4.13Å; L322-W354 VanDerWaalsContact C-CZ2 3.43Å; L322-W354 HydrophobicContact CB-CH2 3.72Å; L322-W354 HydrophobicContact CB-CZ2 3.84Å; L322-W354 WeakPolarHBondContact O-CZ2 3.47Å
323	T	88.9	Confident	88.8	Confident	25 Å²	25	32 Å²	32	15%	0.153	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.9	175.9	60.9	0	0	0	0	114	R319 Y320 Y321 L350 W354 R355	R319-T323 WeakPolarHBondContact O-CG2 3.35Å; R319-T323 PolarHBondContact O-N 2.89Å; Y320-T323 PolarHBondContact O-N 3.45Å; Y320-T323 PolarHBondContact O-OG1 3.19Å; Y321-T323 PolarHBondContact O-N 3.04Å; T323-L350 HydrophobicContact CG2-CD2 4.03Å; T323-W354 HydrophobicContact CG2-CD2 4.29Å; T323-W354 HydrophobicContact CG2-CE3 3.78Å; T323-W354 HydrophobicContact CG2-CZ3 4.04Å; T323-R355 WeakPolarHBondContact O-CB 3.46Å; T323-R355 PolarHBondContact O-N 3.43Å
324	T	87.8	Confident	88.9	Confident	89 Å²	89	33.9 Å²	33.9	55%	0.546	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.3	178	60.9	0	0	0	0	113.6	Y321 L322 R355	Y321-T324 PolarHBondContact O-N 3.18Å; Y321-T324 PolarHBondContact O-OG1 3.49Å; L322-T324 PolarHBondContact O-N 3.38Å; T324-R355 VanDerWaalsContact O-CD 3.31Å; T324-R355 WeakPolarHBondContact O-CD 3.29Å
325	Q	88.6	Confident	88.9	Confident	49 Å²	49	32.1 Å²	32.1	23%	0.229	15%	0.149	C	C	.	.			trans	-98.7	117.4	-179.1	-65.9	-165.9	-2.2	0	0	110.9	N296 L322 A328 W354	N296-Q325 PolarHBondContact OD1-NE2 3.13Å; L322-Q325 PolarHBondContact O-N 3.22Å; Q325-A328 HydrophobicContact CB-CB 4Å; Q325-A328 PolarHBondContact O-N 3.33Å; Q325-W354 PolarHBondContact O-NE1 3.39Å
326	E	89.8	Confident	88.8	Confident	45 Å²	45	32.4 Å²	32.4	21%	0.21	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-64.4	-42.7	-177.3	66.4	-148.2	167.3	0	0	113	A328 L329 R355	E326-A328 PolarHBondContact O-N 3.48Å; E326-L329 PolarHBondContact O-N 2.93Å; E326-R355 HydrophobicContact CB-CG 4.45Å; E326-R355 IonicContact OE1-NH2 3.2Å; E326-R355 IonicContact OE2-CZ 3.69Å; E326-R355 IonicContact OE2-NE 2.9Å; E326-R355 PolarHBondContact OE2-NE 3.34Å; E326-R355 IonicContact OE2-NH2 3.99Å; E326-R355 PolarHBondContact OE2-NH2 3.22Å
327	K	88	Confident	88.7	Confident	123 Å²	123	34 Å²	34	54%	0.535	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-70.4	-15.4	-177.9	-59.1	-168.7	176.9	-168.8	0	114.5	V299 L329	V299-K327 HydrophobicContact CG1-CB 3.84Å; K327-L329 VanDerWaalsContact C-N 3.34Å
328	A	90.6	Very high	88.8	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-79.8	-17.4	-179.5	0	0	0	0	0	112.7	V299 L322 Q325 E326 A330 K331 F332 W354	V299-A328 HydrophobicContact CG1-CB 4.38Å; V299-A328 HydrophobicContact CG2-CB 3.72Å; L322-A328 HydrophobicContact CB-CB 4.22Å; L322-A328 HydrophobicContact CD2-CB 4.13Å; Q325-A328 HydrophobicContact CB-CB 4Å; Q325-A328 PolarHBondContact O-N 3.33Å; E326-A328 PolarHBondContact O-N 3.48Å; A328-A330 PolarHBondContact O-N 3.48Å; A328-K331 PolarHBondContact O-N 2.91Å; A328-F332 PolarHBondContact O-N 3.45Å; A328-W354 HydrophobicContact CB-CZ2 3.94Å
329	L	91.4	Very high	88.6	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-49.3	-173.4	179.9	57.6	0	0	0	112.6	E326 K327 K331 F332 L333 L351 W354 M357 Y378	E326-L329 PolarHBondContact O-N 2.93Å; K327-L329 VanDerWaalsContact C-N 3.34Å; L329-K331 VanDerWaalsContact C-N 3.25Å; L329-K331 PolarHBondContact O-N 2.91Å; L329-F332 PolarHBondContact O-N 3.33Å; L329-L333 HydrophobicContact CD1-CD1 3.94Å; L329-L333 HydrophobicContact CD1-CG 4.04Å; L329-L333 HydrophobicContact CG-CD1 3.99Å; L329-L333 HydrophobicContact CG-CG 4.48Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.25Å; L329-L351 HydrophobicContact CD1-CD1 3.83Å; L329-L351 HydrophobicContact CD2-CD1 3.99Å; L329-L351 HydrophobicContact CG-CD1 4.43Å; L329-W354 HydrophobicContact CB-CD2 4.35Å; L329-W354 HydrophobicContact CB-CG 4.38Å; L329-W354 HydrophobicContact CB-CZ2 4.41Å; L329-W354 HydrophobicContact CD1-CB 4.33Å; L329-W354 HydrophobicContact CD1-CD2 3.66Å; L329-W354 HydrophobicContact CD1-CE3 3.96Å; L329-W354 HydrophobicContact CD1-CG 3.83Å; L329-W354 HydrophobicContact CD2-CG 4.44Å; L329-W354 HydrophobicContact CG-CG 4.44Å; L329-M357 HydrophobicContact CD2-CB 4.37Å; L329-M357 HydrophobicContact CD2-CE 4.49Å; L329-M357 HydrophobicContact CD2-SD 3.98Å; L329-Y378 HydrophobicContact CD2-CD1 4.48Å; L329-Y378 HydrophobicContact CD2-CE1 3.62Å
330	A	90.6	Very high	88.5	Confident	5 Å²	5	40 Å²	40	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-35.3	180	0	0	0	0	0	111.9	A328 K334 L365	A328-A330 PolarHBondContact O-N 3.48Å; A330-K334 WeakPolarHBondContact O-CG 3.3Å; A330-K334 PolarHBondContact O-N 3.24Å; A330-L365 HydrophobicContact CB-CD2 4.32Å
331	K	90.7	Very high	88.3	Confident	10 Å²	10	42.5 Å²	42.5	4%	0.043	22%	0.216	C	C	.	.	H	α-helix	trans	-69.1	-46.6	175.3	-55.5	-51.6	-173.8	-164.8	0	111.1	Y301 P302 L307 A328 L329 L333 K334 C335	Y301-K331 VanDerWaalsContact O-CE 3.28Å; Y301-K331 WeakPolarHBondContact O-CE 3.31Å; Y301-K331 PolarHBondContact O-NZ 3.01Å; P302-K331 PolarHBondContact O-NZ 2.81Å; L307-K331 HydrophobicContact CD1-CB 4.43Å; A328-K331 PolarHBondContact O-N 2.91Å; L329-K331 VanDerWaalsContact C-N 3.25Å; L329-K331 PolarHBondContact O-N 2.91Å; K331-L333 VanDerWaalsContact C-N 3.33Å; K331-L333 PolarHBondContact O-N 2.86Å; K331-K334 PolarHBondContact O-N 3.3Å; K331-K334 VanDerWaalsContact O-N 3.16Å; K331-C335 PolarHBondContact O-N 3.3Å; K331-C335 PolarHBondContact O-SG 3.42Å
332	F	91.3	Very high	88.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-48.3	176.5	170.2	-106.7	0	0	0	111.5	V315 W316 R319 A328 L329 K334 C335 V336 A347 L350 W354	V315-F332 HydrophobicContact CG1-CB 4.18Å; V315-F332 HydrophobicContact CG1-CD2 4.27Å; W316-F332 AromaticContact CE3-CE2 3.81Å; W316-F332 HydrophobicContact CE3-CE2 3.81Å; W316-F332 HydrophobicContact CE3-CZ 4.39Å; W316-F332 AromaticContact CZ3-CE2 3.97Å; W316-F332 HydrophobicContact CZ3-CE2 3.97Å; W316-F332 HydrophobicContact CZ3-CZ 4.07Å; R319-F332 HydrophobicContact CB-CD2 4.13Å; R319-F332 HydrophobicContact CB-CE2 3.65Å; R319-F332 HydrophobicContact CB-CZ 4.4Å; A328-F332 PolarHBondContact O-N 3.45Å; L329-F332 PolarHBondContact O-N 3.33Å; F332-K334 VanDerWaalsContact C-N 3.26Å; F332-K334 PolarHBondContact O-N 3.18Å; F332-C335 WeakPolarHBondContact O-CB 3.41Å; F332-C335 PolarHBondContact O-N 2.98Å; F332-V336 HydrophobicContact CE1-CG2 4.23Å; F332-V336 HydrophobicContact CE2-CG2 4.43Å; F332-V336 HydrophobicContact CZ-CG2 4.15Å; F332-V336 VanDerWaalsContact O-CG2 3.27Å; F332-V336 WeakPolarHBondContact O-CG2 3.33Å; F332-V336 PolarHBondContact O-N 3.13Å; F332-A347 HydrophobicContact CE1-CB 4.06Å; F332-A347 HydrophobicContact CZ-CB 4.16Å; F332-L350 HydrophobicContact CZ-CD1 3.92Å; F332-W354 HydrophobicContact CB-CH2 3.67Å; F332-W354 HydrophobicContact CB-CZ2 4.36Å; F332-W354 HydrophobicContact CB-CZ3 4.15Å; F332-W354 HydrophobicContact CD1-CE3 4.28Å; F332-W354 HydrophobicContact CD1-CH2 4.02Å; F332-W354 AromaticContact CD1-CZ3 3.58Å; F332-W354 HydrophobicContact CD1-CZ3 3.58Å; F332-W354 HydrophobicContact CD2-CH2 4.34Å; F332-W354 HydrophobicContact CD2-CZ3 4.31Å; F332-W354 HydrophobicContact CE1-CZ3 4.04Å; F332-W354 AromaticContact CG-CH2 3.74Å; F332-W354 HydrophobicContact CG-CH2 3.74Å; F332-W354 AromaticContact CG-CZ3 3.74Å; F332-W354 HydrophobicContact CG-CZ3 3.74Å
333	L	90.3	Very high	88.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-27.5	-179.3	-67.8	171.9	0	0	0	113.5	L329 K331 W338 L351 L365 F370 V375	L329-L333 HydrophobicContact CD1-CD1 3.94Å; L329-L333 HydrophobicContact CD1-CG 4.04Å; L329-L333 HydrophobicContact CG-CD1 3.99Å; L329-L333 HydrophobicContact CG-CG 4.48Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.25Å; K331-L333 VanDerWaalsContact C-N 3.33Å; K331-L333 PolarHBondContact O-N 2.86Å; L333-W338 HydrophobicContact CD2-CH2 4.19Å; L333-W338 HydrophobicContact CD2-CZ2 3.99Å; L333-W338 PolarHBondContact O-NE1 3.16Å; L333-L351 HydrophobicContact CD1-CD1 4.49Å; L333-L365 HydrophobicContact CD1-CD1 4.31Å; L333-L365 HydrophobicContact CD1-CD2 3.71Å; L333-F370 HydrophobicContact CB-CD1 4.15Å; L333-F370 HydrophobicContact CB-CE1 3.52Å; L333-F370 HydrophobicContact CB-CZ 4.43Å; L333-V375 HydrophobicContact CD1-CG1 3.79Å; L333-V375 HydrophobicContact CD1-CG2 4.44Å; L333-V375 HydrophobicContact CD2-CG2 4.08Å
334	K	88.4	Confident	88.1	Confident	55 Å²	55	45.5 Å²	45.5	24%	0.239	23%	0.234	C	C	.	.	H	α-helix	trans	-73.8	-26.2	172.4	-73.4	179.3	-175.8	179.6	0	113.3	P303 A330 K331 F332 V336 E364 F370	P303-K334 PolarHBondContact O-NZ 2.76Å; A330-K334 WeakPolarHBondContact O-CG 3.3Å; A330-K334 PolarHBondContact O-N 3.24Å; K331-K334 PolarHBondContact O-N 3.3Å; K331-K334 VanDerWaalsContact O-N 3.16Å; F332-K334 VanDerWaalsContact C-N 3.26Å; F332-K334 PolarHBondContact O-N 3.18Å; K334-V336 VanDerWaalsContact C-N 3.34Å; K334-E364 WeakPolarHBondContact CE-OE1 3.45Å; K334-E364 IonicContact NZ-OE1 2.77Å; K334-E364 PolarHBondContact NZ-OE1 2.98Å; K334-F370 HydrophobicContact CD-CZ 4.37Å; K334-F370 HydrophobicContact CG-CE1 3.9Å; K334-F370 HydrophobicContact CG-CZ 3.63Å
335	C	87.5	Confident	88.1	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-79	-19.7	179.2	-57.5	0	0	0	0	112.8	R274 L307 Q312 K331 F332	R274-C335 PolarHBondContact NH1-O 3.03Å; R274-C335 PolarHBondContact NH2-O 3.16Å; L307-C335 WeakPolarHBondContact CD1-SG 3.46Å; Q312-C335 HydrophobicContact CB-CB 3.94Å; Q312-C335 HydrophobicContact CG-CB 4.12Å; K331-C335 PolarHBondContact O-N 3.3Å; K331-C335 PolarHBondContact O-SG 3.42Å; F332-C335 WeakPolarHBondContact O-CB 3.41Å; F332-C335 PolarHBondContact O-N 2.98Å
336	V	87.3	Confident	88	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.055	23%	0.231	C	C	.	.	S	Bend	trans	-73.9	131.1	-173.8	-172.6	0	0	0	0	110.6	W316 F332 K334 W338 E343 A347	W316-V336 HydrophobicContact CE3-CG2 4.45Å; W316-V336 HydrophobicContact CZ3-CB 4.35Å; W316-V336 HydrophobicContact CZ3-CG1 4.09Å; W316-V336 HydrophobicContact CZ3-CG2 3.88Å; F332-V336 HydrophobicContact CE1-CG2 4.23Å; F332-V336 HydrophobicContact CE2-CG2 4.43Å; F332-V336 HydrophobicContact CZ-CG2 4.15Å; F332-V336 VanDerWaalsContact O-CG2 3.27Å; F332-V336 WeakPolarHBondContact O-CG2 3.33Å; F332-V336 PolarHBondContact O-N 3.13Å; K334-V336 VanDerWaalsContact C-N 3.34Å; V336-W338 HydrophobicContact CB-CZ2 4.39Å; V336-W338 HydrophobicContact CG1-CD2 4.4Å; V336-W338 PolarHBondContact O-N 3Å; V336-E343 HydrophobicContact CG1-CB 4.2Å; V336-A347 HydrophobicContact CB-CB 4.5Å; V336-A347 HydrophobicContact CG1-CB 3.86Å; V336-A347 HydrophobicContact CG2-CB 3.9Å
337	N	85.6	Confident	88	Confident	42 Å²	42	44.6 Å²	44.6	23%	0.225	22%	0.221	C	C	.	.			trans	-83.6	104.6	168.7	-171.1	-20.7	0	0	0	110	D339 L340 E343	N337-D339 VanDerWaalsContact C-N 3.27Å; N337-D339 PolarHBondContact O-N 3.25Å; N337-D339 WeakPolarHBondContact OD1-CB 3.47Å; N337-D339 PolarHBondContact OD1-N 3.29Å; N337-L340 HydrophobicContact CB-CD1 4.1Å; N337-L340 PolarHBondContact O-N 3.28Å; N337-E343 WeakPolarHBondContact CB-OE2 3.47Å; N337-E343 PolarHBondContact N-OE2 3.19Å
338	W	87.3	Confident	88.1	Confident	63 Å²	63	41.4 Å²	41.4	24%	0.239	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.4	-177.6	-64.4	97.6	0	0	0	114.1	L333 V336 L340 A344 A347 L348 N372 V375	L333-W338 HydrophobicContact CD2-CH2 4.19Å; L333-W338 HydrophobicContact CD2-CZ2 3.99Å; L333-W338 PolarHBondContact O-NE1 3.16Å; V336-W338 HydrophobicContact CB-CZ2 4.39Å; V336-W338 HydrophobicContact CG1-CD2 4.4Å; V336-W338 PolarHBondContact O-N 3Å; W338-L340 VanDerWaalsContact C-N 3.28Å; W338-A344 HydrophobicContact CE3-CB 3.97Å; W338-A344 HydrophobicContact CZ3-CB 4.35Å; W338-A347 HydrophobicContact CH2-CB 4.41Å; W338-L348 HydrophobicContact CH2-CD2 4.35Å; W338-L348 HydrophobicContact CZ3-CD2 4.21Å; W338-L348 HydrophobicContact CZ3-CG 4.42Å; W338-N372 HydrophobicContact CD2-CB 4.3Å; W338-N372 HydrophobicContact CE3-CB 4Å; W338-N372 HydrophobicContact CH2-CB 4.1Å; W338-N372 HydrophobicContact CZ2-CB 4.39Å; W338-N372 HydrophobicContact CZ3-CB 3.89Å; W338-N372 VanDerWaalsContact CZ3-ND2 3.31Å; W338-N372 WeakPolarHBondContact CZ3-ND2 3.3Å; W338-V375 HydrophobicContact CH2-CG2 3.5Å; W338-V375 VanDerWaalsContact CH2-CG2 3.5Å; W338-V375 HydrophobicContact CZ2-CG2 3.83Å; W338-V375 HydrophobicContact CZ3-CG2 4.46Å
339	D	85.1	Confident	88	Confident	151 Å²	151	46.4 Å²	46.4	81%	0.807	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-22	175.4	-60.2	-42.6	0	0	0	111.8	N337 P341	N337-D339 VanDerWaalsContact C-N 3.27Å; N337-D339 PolarHBondContact O-N 3.25Å; N337-D339 WeakPolarHBondContact OD1-CB 3.47Å; N337-D339 PolarHBondContact OD1-N 3.29Å; D339-P341 WeakPolarHBondContact O-CD 3.21Å
340	L	84.8	Confident	87.9	Confident	49 Å²	49	46.6 Å²	46.6	26%	0.257	23%	0.234	S	C	.	.	S	Bend	trans	-89.4	109.7	176.1	-82.9	155.1	0	0	0	110	N337 W338 Q342 E343 A344	N337-L340 HydrophobicContact CB-CD1 4.1Å; N337-L340 PolarHBondContact O-N 3.28Å; W338-L340 VanDerWaalsContact C-N 3.28Å; L340-Q342 PolarHBondContact O-N 2.61Å; L340-Q342 VanDerWaalsContact O-N 3.12Å; L340-E343 HydrophobicContact CB-CB 4.23Å; L340-E343 HydrophobicContact CB-CG 4.2Å; L340-E343 PolarHBondContact O-N 2.73Å; L340-E343 VanDerWaalsContact O-N 3.17Å; L340-A344 PolarHBondContact O-N 3.38Å
341	P	85.1	Confident	87.9	Confident	99 Å²	99	46.7 Å²	46.7	64%	0.643	23%	0.233	S	C	*	.	H	α-helix	trans	-63.9	-26.6	-173.7	24.8	-34.5	0	0	0	113	D339 K345	D339-P341 WeakPolarHBondContact O-CD 3.21Å; P341-K345 WeakPolarHBondContact O-CB 3.42Å; P341-K345 PolarHBondContact O-N 3.33Å
342	Q	84.1	Confident	87.7	Confident	133 Å²	133	49.8 Å²	49.8	62%	0.621	27%	0.268	S	S	*	.	H	α-helix	trans	-70.2	-45.8	177.5	-66.2	179.8	-20.3	0	0	112	L276 L340 K345 Q346	L276-Q342 HydrophobicContact CD1-CB 4.16Å; L276-Q342 HydrophobicContact CD1-CG 4.4Å; L276-Q342 VanDerWaalsContact CD1-OE1 3.29Å; L340-Q342 PolarHBondContact O-N 2.61Å; L340-Q342 VanDerWaalsContact O-N 3.12Å; Q342-K345 PolarHBondContact O-N 3.44Å; Q342-Q346 PolarHBondContact O-N 3.45Å
343	E	86.5	Confident	87.5	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-44.8	176.5	-68.7	-166.7	-165.6	0	0	110.7	R274 W316 V336 N337 L340 K345 Q346 A347	R274-E343 VanDerWaalsContact CD-OE1 3.27Å; R274-E343 WeakPolarHBondContact CD-OE1 3.48Å; R274-E343 IonicContact NH1-OE2 2.78Å; R274-E343 PolarHBondContact NH1-OE2 2.83Å; R274-E343 VanDerWaalsContact NH1-OE2 3.16Å; W316-E343 HydrophobicContact CH2-CB 3.64Å; W316-E343 HydrophobicContact CH2-CG 3.81Å; W316-E343 HydrophobicContact CZ2-CB 4.12Å; W316-E343 HydrophobicContact CZ2-CG 3.77Å; W316-E343 HydrophobicContact CZ3-CB 4.4Å; V336-E343 HydrophobicContact CG1-CB 4.2Å; N337-E343 WeakPolarHBondContact CB-OE2 3.47Å; N337-E343 PolarHBondContact N-OE2 3.19Å; L340-E343 HydrophobicContact CB-CB 4.23Å; L340-E343 HydrophobicContact CB-CG 4.2Å; L340-E343 PolarHBondContact O-N 2.73Å; L340-E343 VanDerWaalsContact O-N 3.17Å; E343-K345 VanDerWaalsContact C-N 3.35Å; E343-K345 PolarHBondContact O-N 3.35Å; E343-Q346 PolarHBondContact O-N 3.4Å; E343-A347 WeakPolarHBondContact O-CB 3.32Å; E343-A347 PolarHBondContact O-N 3.29Å
344	A	88.8	Confident	87.6	Confident	13 Å²	13	56.9 Å²	56.9	11%	0.107	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-47	176.4	0	0	0	0	0	111.7	W338 L340 Q346 A347 L348	W338-A344 HydrophobicContact CE3-CB 3.97Å; W338-A344 HydrophobicContact CZ3-CB 4.35Å; L340-A344 PolarHBondContact O-N 3.38Å; A344-Q346 PolarHBondContact O-N 3.15Å; A344-A347 PolarHBondContact O-N 3.03Å; A344-L348 VanDerWaalsContact O-CG 3.26Å; A344-L348 WeakPolarHBondContact O-CG 3.31Å; A344-L348 PolarHBondContact O-N 3.09Å
345	K	88.1	Confident	87.7	Confident	136 Å²	136	60.6 Å²	60.6	59%	0.591	31%	0.311	S	S	*	.	H	α-helix	trans	-60.3	-46.1	178.1	-174.5	179.5	176.8	-176.8	0	112.2	P341 Q342 E343 L348 E349	P341-K345 WeakPolarHBondContact O-CB 3.42Å; P341-K345 PolarHBondContact O-N 3.33Å; Q342-K345 PolarHBondContact O-N 3.44Å; E343-K345 VanDerWaalsContact C-N 3.35Å; E343-K345 PolarHBondContact O-N 3.35Å; K345-L348 PolarHBondContact O-N 3.27Å; K345-E349 VanDerWaalsContact CE-OE1 3.26Å; K345-E349 WeakPolarHBondContact CE-OE1 3.38Å; K345-E349 WeakPolarHBondContact O-CG 3.32Å; K345-E349 PolarHBondContact O-N 3.05Å
346	Q	86.8	Confident	87.7	Confident	27 Å²	27	63.9 Å²	63.9	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-65.3	-40.3	179.3	-173	175.9	31.8	0	0	112.2	W316 R319 Y320 Q342 E343 A344 L348 E349 L350	W316-Q346 VanDerWaalsContact CZ2-OE1 3.23Å; R319-Q346 VanDerWaalsContact NE-NE2 3.1Å; Y320-Q346 PolarHBondContact OH-NE2 3.19Å; Q342-Q346 PolarHBondContact O-N 3.45Å; E343-Q346 PolarHBondContact O-N 3.4Å; A344-Q346 PolarHBondContact O-N 3.15Å; Q346-L348 VanDerWaalsContact C-N 3.32Å; Q346-L348 PolarHBondContact O-N 3Å; Q346-E349 PolarHBondContact O-N 2.91Å; Q346-L350 HydrophobicContact CG-CD1 4.29Å; Q346-L350 WeakPolarHBondContact O-CB 3.26Å; Q346-L350 WeakPolarHBondContact O-CG 3.24Å; Q346-L350 PolarHBondContact O-N 2.86Å
347	A	90.4	Very high	87.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-41	176.3	0	0	0	0	0	111.7	F332 V336 W338 E343 A344 L350 L351	F332-A347 HydrophobicContact CE1-CB 4.06Å; F332-A347 HydrophobicContact CZ-CB 4.16Å; V336-A347 HydrophobicContact CB-CB 4.5Å; V336-A347 HydrophobicContact CG1-CB 3.86Å; V336-A347 HydrophobicContact CG2-CB 3.9Å; W338-A347 HydrophobicContact CH2-CB 4.41Å; E343-A347 WeakPolarHBondContact O-CB 3.32Å; E343-A347 PolarHBondContact O-N 3.29Å; A344-A347 PolarHBondContact O-N 3.03Å; A347-L350 PolarHBondContact O-N 3.16Å; A347-L351 WeakPolarHBondContact O-CB 3.27Å; A347-L351 PolarHBondContact O-N 3.39Å
348	L	89.7	Confident	88	Confident	56 Å²	56	65 Å²	65	29%	0.293	34%	0.338	S	S	.	.	H	α-helix	trans	-67.6	-39.1	176.3	-66.2	179.2	0	0	0	112.7	W338 A344 K345 Q346 L350 L351 T374	W338-L348 HydrophobicContact CH2-CD2 4.35Å; W338-L348 HydrophobicContact CZ3-CD2 4.21Å; W338-L348 HydrophobicContact CZ3-CG 4.42Å; A344-L348 VanDerWaalsContact O-CG 3.26Å; A344-L348 WeakPolarHBondContact O-CG 3.31Å; A344-L348 PolarHBondContact O-N 3.09Å; K345-L348 PolarHBondContact O-N 3.27Å; Q346-L348 VanDerWaalsContact C-N 3.32Å; Q346-L348 PolarHBondContact O-N 3Å; L348-L350 VanDerWaalsContact C-N 3.33Å; L348-L351 HydrophobicContact CD2-CD2 4.5Å; L348-L351 WeakPolarHBondContact O-CB 3.01Å; L348-L351 PolarHBondContact O-N 3.48Å; L348-T374 HydrophobicContact CD2-CG2 3.73Å
349	E	88.4	Confident	88	Confident	107 Å²	107	63.7 Å²	63.7	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-39.1	173.5	-73.2	176.2	-168.3	0	0	112.1	K345 Q346	K345-E349 VanDerWaalsContact CE-OE1 3.26Å; K345-E349 WeakPolarHBondContact CE-OE1 3.38Å; K345-E349 WeakPolarHBondContact O-CG 3.32Å; K345-E349 PolarHBondContact O-N 3.05Å; Q346-E349 PolarHBondContact O-N 2.91Å
350	L	88.8	Confident	88.1	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-71.5	-34.4	176.8	-75.4	175.6	0	0	0	112.6	R319 Y320 T323 F332 Q346 A347 L348 G352 K353 W354	R319-L350 HydrophobicContact CB-CD1 4.05Å; R319-L350 HydrophobicContact CG-CD1 3.87Å; Y320-L350 HydrophobicContact CD1-CD2 3.74Å; Y320-L350 HydrophobicContact CE1-CD2 3.62Å; T323-L350 HydrophobicContact CG2-CD2 4.03Å; F332-L350 HydrophobicContact CZ-CD1 3.92Å; Q346-L350 HydrophobicContact CG-CD1 4.29Å; Q346-L350 WeakPolarHBondContact O-CB 3.26Å; Q346-L350 WeakPolarHBondContact O-CG 3.24Å; Q346-L350 PolarHBondContact O-N 2.86Å; A347-L350 PolarHBondContact O-N 3.16Å; L348-L350 VanDerWaalsContact C-N 3.33Å; L350-G352 PolarHBondContact O-N 3.11Å; L350-K353 CarbonylContact O-C 3.6Å; L350-K353 PolarHBondContact O-N 3.43Å; L350-W354 PolarHBondContact O-N 3.44Å
351	L	89.9	Confident	88.2	Confident	7 Å²	7	63 Å²	63	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-40.3	176.6	-176.1	65.7	0	0	0	111.6	L329 L333 A347 L348 K353 W354 V375 Y378	L329-L351 HydrophobicContact CD1-CD1 3.83Å; L329-L351 HydrophobicContact CD2-CD1 3.99Å; L329-L351 HydrophobicContact CG-CD1 4.43Å; L333-L351 HydrophobicContact CD1-CD1 4.49Å; A347-L351 WeakPolarHBondContact O-CB 3.27Å; A347-L351 PolarHBondContact O-N 3.39Å; L348-L351 HydrophobicContact CD2-CD2 4.5Å; L348-L351 WeakPolarHBondContact O-CB 3.01Å; L348-L351 PolarHBondContact O-N 3.48Å; L351-K353 VanDerWaalsContact C-N 3.29Å; L351-K353 PolarHBondContact O-N 3.17Å; L351-W354 PolarHBondContact O-N 3.5Å; L351-V375 HydrophobicContact CD2-CG2 4.4Å; L351-Y378 HydrophobicContact CD1-CD1 3.99Å; L351-Y378 HydrophobicContact CD1-CD2 4.17Å; L351-Y378 HydrophobicContact CD1-CE1 4.19Å; L351-Y378 HydrophobicContact CD1-CE2 4.35Å; L351-Y378 HydrophobicContact CD1-CG 3.97Å; L351-Y378 HydrophobicContact CD2-CG 4.22Å; L351-Y378 HydrophobicContact CG-CD2 4.14Å; L351-Y378 HydrophobicContact CG-CG 4.18Å
352	G	86.7	Confident	88.5	Confident	74 Å²	74	58.2 Å²	58.2	76%	0.763	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.9	176.4	0	0	0	0	0	114.8	L350	L350-G352 PolarHBondContact O-N 3.11Å
353	K	88.6	Confident	88.7	Confident	141 Å²	141	53.9 Å²	53.9	61%	0.613	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-11.3	177.5	-65	177.8	-178.4	173.7	0	113	L350 L351	L350-K353 CarbonylContact O-C 3.6Å; L350-K353 PolarHBondContact O-N 3.43Å; L351-K353 VanDerWaalsContact C-N 3.29Å; L351-K353 PolarHBondContact O-N 3.17Å
354	W	92.5	Very high	88.9	Confident	9 Å²	9	54.7 Å²	54.7	3%	0.034	28%	0.283	C	S	.	.	S	Bend	trans	-69.7	144.3	-176.5	-149.3	-74	0	0	0	110.6	L322 T323 Q325 A328 L329 F332 L350 L351	L322-W354 VanDerWaalsContact C-CZ2 3.43Å; L322-W354 HydrophobicContact CB-CH2 3.72Å; L322-W354 HydrophobicContact CB-CZ2 3.84Å; L322-W354 WeakPolarHBondContact O-CZ2 3.47Å; T323-W354 HydrophobicContact CG2-CD2 4.29Å; T323-W354 HydrophobicContact CG2-CE3 3.78Å; T323-W354 HydrophobicContact CG2-CZ3 4.04Å; Q325-W354 PolarHBondContact O-NE1 3.39Å; A328-W354 HydrophobicContact CB-CZ2 3.94Å; L329-W354 HydrophobicContact CB-CD2 4.35Å; L329-W354 HydrophobicContact CB-CG 4.38Å; L329-W354 HydrophobicContact CB-CZ2 4.41Å; L329-W354 HydrophobicContact CD1-CB 4.33Å; L329-W354 HydrophobicContact CD1-CD2 3.66Å; L329-W354 HydrophobicContact CD1-CE3 3.96Å; L329-W354 HydrophobicContact CD1-CG 3.83Å; L329-W354 HydrophobicContact CD2-CG 4.44Å; L329-W354 HydrophobicContact CG-CG 4.44Å; F332-W354 HydrophobicContact CB-CH2 3.67Å; F332-W354 HydrophobicContact CB-CZ2 4.36Å; F332-W354 HydrophobicContact CB-CZ3 4.15Å; F332-W354 HydrophobicContact CD1-CE3 4.28Å; F332-W354 HydrophobicContact CD1-CH2 4.02Å; F332-W354 AromaticContact CD1-CZ3 3.58Å; F332-W354 HydrophobicContact CD1-CZ3 3.58Å; F332-W354 HydrophobicContact CD2-CH2 4.34Å; F332-W354 HydrophobicContact CD2-CZ3 4.31Å; F332-W354 HydrophobicContact CE1-CZ3 4.04Å; F332-W354 AromaticContact CG-CH2 3.74Å; F332-W354 HydrophobicContact CG-CH2 3.74Å; F332-W354 AromaticContact CG-CZ3 3.74Å; F332-W354 HydrophobicContact CG-CZ3 3.74Å; L350-W354 PolarHBondContact O-N 3.44Å; L351-W354 PolarHBondContact O-N 3.5Å
355	R	89.4	Confident	88.9	Confident	134 Å²	134	54.1 Å²	54.1	51%	0.506	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-56.3	130.9	171.9	-178.2	174.8	165	168.9	-6.5	109.9	T323 T324 E326 M357	T323-R355 WeakPolarHBondContact O-CB 3.46Å; T323-R355 PolarHBondContact O-N 3.43Å; T324-R355 VanDerWaalsContact O-CD 3.31Å; T324-R355 WeakPolarHBondContact O-CD 3.29Å; E326-R355 HydrophobicContact CB-CG 4.45Å; E326-R355 IonicContact OE1-NH2 3.2Å; E326-R355 IonicContact OE2-CZ 3.69Å; E326-R355 IonicContact OE2-NE 2.9Å; E326-R355 PolarHBondContact OE2-NE 3.34Å; E326-R355 IonicContact OE2-NH2 3.99Å; E326-R355 PolarHBondContact OE2-NH2 3.22Å; R355-M357 PolarHBondContact O-N 3.19Å
356	P	88.1	Confident	89	Confident	70 Å²	70	48 Å²	48	46%	0.455	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-56.4	130.4	-178.2	-24.5	32.9	0	0	0	112.2	Y378	P356-Y378 WeakPolarHBondContact CA-OH 3.27Å
357	M	89.2	Confident	89.1	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-80.3	158.9	-179.9	74.8	-173.2	-42.7	0	0	112.9	L329 R355 D361 L365 Y378 R382	L329-M357 HydrophobicContact CD2-CB 4.37Å; L329-M357 HydrophobicContact CD2-CE 4.49Å; L329-M357 HydrophobicContact CD2-SD 3.98Å; R355-M357 PolarHBondContact O-N 3.19Å; M357-D361 HydrophobicContact CE-CB 3.75Å; M357-D361 WeakPolarHBondContact CE-O 3.26Å; M357-L365 HydrophobicContact CE-CD1 4.1Å; M357-L365 HydrophobicContact CE-CG 4.26Å; M357-L365 HydrophobicContact SD-CD1 3.39Å; M357-L365 WeakPolarHBondContact SD-CD1 3.45Å; M357-L365 HydrophobicContact SD-CG 4.12Å; M357-Y378 HydrophobicContact CG-CE1 3.96Å; M357-Y378 PolarHBondContact N-OH 3.48Å; M357-Y378 HydrophobicContact SD-CD1 4.38Å; M357-Y378 HydrophobicContact SD-CE1 3.7Å; M357-R382 HydrophobicContact CG-CG 4.08Å; M357-R382 PolarHBondContact O-NE 2.97Å; M357-R382 PolarHBondContact O-NH2 3.18Å
358	D	89.2	Confident	88.9	Confident	74 Å²	74	50.9 Å²	50.9	40%	0.396	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-67.7	156.7	175.9	-66.9	-29.9	0	0	0	112.2	E360 D361 S362	D358-E360 VanDerWaalsContact C-N 3.34Å; D358-E360 PolarHBondContact O-N 3.14Å; D358-D361 PolarHBondContact O-N 3.38Å; D358-S362 PolarHBondContact O-N 3.46Å
359	V	87.9	Confident	88.7	Confident	35 Å²	35	54.3 Å²	54.3	21%	0.212	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-42.8	-177.5	-179.2	0	0	0	0	111	D361 S362 L383 A386	V359-D361 PolarHBondContact O-N 3.5Å; V359-S362 WeakPolarHBondContact O-CB 3.36Å; V359-S362 PolarHBondContact O-N 3.39Å; V359-S362 PolarHBondContact O-OG 2.75Å; V359-L383 HydrophobicContact CG1-CD2 3.93Å; V359-A386 HydrophobicContact CG1-CB 3.75Å; V359-A386 HydrophobicContact CG2-CB 4.35Å
360	E	86.7	Confident	88.6	Confident	133 Å²	133	49.4 Å²	49.4	62%	0.621	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-46.4	179.2	-61.5	-178.8	-170.5	0	0	111.8	D358 S362 L363	D358-E360 VanDerWaalsContact C-N 3.34Å; D358-E360 PolarHBondContact O-N 3.14Å; E360-S362 PolarHBondContact O-N 3.14Å; E360-L363 WeakPolarHBondContact O-CB 3.45Å; E360-L363 PolarHBondContact O-N 2.95Å
361	D	87.8	Confident	88.5	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-29.3	178.8	-70.3	-21.8	0	0	0	111.5	M357 D358 V359 L363 E364	M357-D361 HydrophobicContact CE-CB 3.75Å; M357-D361 WeakPolarHBondContact CE-O 3.26Å; D358-D361 PolarHBondContact O-N 3.38Å; V359-D361 PolarHBondContact O-N 3.5Å; D361-L363 PolarHBondContact O-N 2.96Å; D361-E364 WeakPolarHBondContact O-CB 3.49Å; D361-E364 PolarHBondContact O-N 3.29Å
362	S	90.1	Very high	88.4	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-23.1	177.7	81.1	0	0	0	0	113.5	D358 V359 E360 E364 L365	D358-S362 PolarHBondContact O-N 3.46Å; V359-S362 WeakPolarHBondContact O-CB 3.36Å; V359-S362 PolarHBondContact O-N 3.39Å; V359-S362 PolarHBondContact O-OG 2.75Å; E360-S362 PolarHBondContact O-N 3.14Å; S362-E364 PolarHBondContact O-N 2.66Å; S362-L365 WeakPolarHBondContact O-CB 3.02Å; S362-L365 PolarHBondContact O-N 2.96Å; S362-L365 VanDerWaalsContact O-N 3.12Å
363	L	89	Confident	88.4	Confident	41 Å²	41	53.7 Å²	53.7	22%	0.215	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.1	-28.8	174.9	-63	171.7	0	0	0	111.9	E360 D361 L365 L366 L383 Y394 L398	E360-L363 WeakPolarHBondContact O-CB 3.45Å; E360-L363 PolarHBondContact O-N 2.95Å; D361-L363 PolarHBondContact O-N 2.96Å; L363-L365 PolarHBondContact O-N 3.35Å; L363-L366 PolarHBondContact O-N 3.43Å; L363-L383 HydrophobicContact CD2-CD2 3.83Å; L363-Y394 HydrophobicContact CD1-CD1 3.6Å; L363-Y394 HydrophobicContact CD1-CD2 3.98Å; L363-Y394 HydrophobicContact CD1-CE1 3.88Å; L363-Y394 HydrophobicContact CD1-CE2 4.23Å; L363-Y394 HydrophobicContact CD1-CG 3.66Å; L363-L398 HydrophobicContact CD2-CD2 3.73Å; L363-L398 HydrophobicContact CD2-CG 4.48Å
364	E	90.1	Very high	88.3	Confident	34 Å²	34	49.8 Å²	49.8	16%	0.159	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.6	-34.4	176.4	-170	179.5	165.3	0	0	111.6	P303 K334 D361 S362 L366 S367 F370	P303-E364 HydrophobicContact CB-CG 4.39Å; K334-E364 WeakPolarHBondContact CE-OE1 3.45Å; K334-E364 IonicContact NZ-OE1 2.77Å; K334-E364 PolarHBondContact NZ-OE1 2.98Å; D361-E364 WeakPolarHBondContact O-CB 3.49Å; D361-E364 PolarHBondContact O-N 3.29Å; S362-E364 PolarHBondContact O-N 2.66Å; E364-L366 PolarHBondContact O-N 2.99Å; E364-S367 VanDerWaalsContact O-CB 3.28Å; E364-S367 WeakPolarHBondContact O-CB 3.21Å; E364-S367 PolarHBondContact O-N 2.91Å; E364-S367 VanDerWaalsContact O-N 3.15Å; E364-S367 PolarHBondContact O-OG 3.46Å; E364-F370 HydrophobicContact CG-CE2 4.36Å; E364-F370 WeakPolarHBondContact O-CD2 3.33Å; E364-F370 WeakPolarHBondContact O-CE2 3.42Å
365	L	90.5	Very high	88.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-70.5	-13.5	-179.9	-59.2	-173.7	0	0	0	113.4	A330 L333 M357 S362 L363 F370 V375 Y378 A379	A330-L365 HydrophobicContact CB-CD2 4.32Å; L333-L365 HydrophobicContact CD1-CD1 4.31Å; L333-L365 HydrophobicContact CD1-CD2 3.71Å; M357-L365 HydrophobicContact CE-CD1 4.1Å; M357-L365 HydrophobicContact CE-CG 4.26Å; M357-L365 HydrophobicContact SD-CD1 3.39Å; M357-L365 WeakPolarHBondContact SD-CD1 3.45Å; M357-L365 HydrophobicContact SD-CG 4.12Å; S362-L365 WeakPolarHBondContact O-CB 3.02Å; S362-L365 PolarHBondContact O-N 2.96Å; S362-L365 VanDerWaalsContact O-N 3.12Å; L363-L365 PolarHBondContact O-N 3.35Å; L365-F370 HydrophobicContact CD2-CD1 4.4Å; L365-F370 HydrophobicContact CD2-CD2 4.2Å; L365-F370 HydrophobicContact CD2-CE1 4.11Å; L365-F370 HydrophobicContact CD2-CE2 3.87Å; L365-F370 HydrophobicContact CD2-CG 4.42Å; L365-F370 HydrophobicContact CD2-CZ 3.8Å; L365-F370 WeakPolarHBondContact O-CB 3.41Å; L365-V375 HydrophobicContact CB-CG1 4.32Å; L365-V375 HydrophobicContact CD1-CG1 4.21Å; L365-V375 HydrophobicContact CD2-CG1 4.23Å; L365-Y378 HydrophobicContact CD1-CD1 4.04Å; L365-Y378 HydrophobicContact CD1-CE1 4.42Å; L365-A379 HydrophobicContact CB-CB 3.82Å; L365-A379 HydrophobicContact CD1-CB 4.29Å
366	L	89.3	Confident	88.3	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-92.6	4.2	174.8	-62.7	179.1	0	0	0	113.2	L363 E364 R376 A379 L383 L398 A401 L464	L363-L366 PolarHBondContact O-N 3.43Å; E364-L366 PolarHBondContact O-N 2.99Å; L366-R376 HydrophobicContact CD2-CB 4.39Å; L366-R376 HydrophobicContact CD2-CG 4.36Å; L366-A379 HydrophobicContact CD2-CB 3.95Å; L366-A379 HydrophobicContact CG-CB 4.11Å; L366-L383 HydrophobicContact CD1-CD1 3.61Å; L366-L398 HydrophobicContact CD1-CD2 3.64Å; L366-A401 HydrophobicContact CB-CB 4.04Å; L366-L464 HydrophobicContact CD1-CD1 4.19Å; L366-L464 HydrophobicContact CD1-CD2 4.15Å; L366-L464 HydrophobicContact CD2-CD2 4.42Å
367	S	88.6	Confident	88.4	Confident	30 Å²	30	44.3 Å²	44.3	21%	0.21	24%	0.236	C	C	.	.	S	Bend	trans	-74.9	170.9	175.6	72.7	0	0	0	0	112.8	E364 H369 F370	E364-S367 VanDerWaalsContact O-CB 3.28Å; E364-S367 WeakPolarHBondContact O-CB 3.21Å; E364-S367 PolarHBondContact O-N 2.91Å; E364-S367 VanDerWaalsContact O-N 3.15Å; E364-S367 PolarHBondContact O-OG 3.46Å; S367-H369 PolarHBondContact O-N 3.37Å; S367-H369 VanDerWaalsContact O-N 3.11Å; S367-H369 PolarHBondContact OG-ND1 3.06Å; S367-F370 PolarHBondContact O-N 3.09Å
368	S	86.6	Confident	88.5	Confident	59 Å²	59	46 Å²	46	41%	0.413	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.4	177.4	58.9	0	0	0	0	114.7	F370	S368-F370 VanDerWaalsContact C-N 3.27Å; S368-F370 PolarHBondContact O-N 2.79Å
369	H	84.6	Confident	88.6	Confident	127 Å²	127	42.4 Å²	42.4	59%	0.588	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.1	-178.1	-59.4	91.9	0	0	0	112.7	S367	S367-H369 PolarHBondContact O-N 3.37Å; S367-H369 VanDerWaalsContact O-N 3.11Å; S367-H369 PolarHBondContact OG-ND1 3.06Å
370	F	87.8	Confident	88.8	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.018	21%	0.214	C	C	.	.			trans	-114.8	108	-177.5	-54.9	-79.3	0	0	0	108.8	L333 K334 E364 L365 S367 S368 V375 R376	L333-F370 HydrophobicContact CB-CD1 4.15Å; L333-F370 HydrophobicContact CB-CE1 3.52Å; L333-F370 HydrophobicContact CB-CZ 4.43Å; K334-F370 HydrophobicContact CD-CZ 4.37Å; K334-F370 HydrophobicContact CG-CE1 3.9Å; K334-F370 HydrophobicContact CG-CZ 3.63Å; E364-F370 HydrophobicContact CG-CE2 4.36Å; E364-F370 WeakPolarHBondContact O-CD2 3.33Å; E364-F370 WeakPolarHBondContact O-CE2 3.42Å; L365-F370 HydrophobicContact CD2-CD1 4.4Å; L365-F370 HydrophobicContact CD2-CD2 4.2Å; L365-F370 HydrophobicContact CD2-CE1 4.11Å; L365-F370 HydrophobicContact CD2-CE2 3.87Å; L365-F370 HydrophobicContact CD2-CG 4.42Å; L365-F370 HydrophobicContact CD2-CZ 3.8Å; L365-F370 WeakPolarHBondContact O-CB 3.41Å; S367-F370 PolarHBondContact O-N 3.09Å; S368-F370 VanDerWaalsContact C-N 3.27Å; S368-F370 PolarHBondContact O-N 2.79Å; F370-V375 HydrophobicContact CB-CG1 4.39Å; F370-V375 HydrophobicContact CD1-CG1 4.41Å; F370-R376 PolarHBondContact O-NE 3.34Å; F370-R376 PolarHBondContact O-NH2 3.37Å
371	T	86.1	Confident	89	Confident	98 Å²	98	35.1 Å²	35.1	60%	0.601	19%	0.19	S	C	*	.			trans	-102.3	-13.5	179.1	53.4	0	0	0	0	112.6	P373	T371-P373 WeakPolarHBondContact O-CD 3.28Å
372	N	87.3	Confident	89.1	Confident	31 Å²	31	34.2 Å²	34.2	17%	0.166	18%	0.182	C	C	.	.			trans	-67.1	123.6	-176.3	-170.4	-75.9	0	0	0	111.4	W338 T374 V375 R376	W338-N372 HydrophobicContact CD2-CB 4.3Å; W338-N372 HydrophobicContact CE3-CB 4Å; W338-N372 HydrophobicContact CH2-CB 4.1Å; W338-N372 HydrophobicContact CZ2-CB 4.39Å; W338-N372 HydrophobicContact CZ3-CB 3.89Å; W338-N372 VanDerWaalsContact CZ3-ND2 3.31Å; W338-N372 WeakPolarHBondContact CZ3-ND2 3.3Å; N372-T374 VanDerWaalsContact C-N 3.3Å; N372-T374 PolarHBondContact O-N 3.02Å; N372-T374 WeakPolarHBondContact OD1-CB 3.46Å; N372-T374 PolarHBondContact OD1-N 3.15Å; N372-V375 HydrophobicContact CB-CB 4.32Å; N372-V375 HydrophobicContact CB-CG2 4.03Å; N372-V375 PolarHBondContact O-N 2.95Å; N372-R376 PolarHBondContact O-N 2.97Å
373	P	86.5	Confident	89.1	Confident	48 Å²	48	34.4 Å²	34.4	31%	0.312	18%	0.183	S	C	.	.	H	α-helix	trans	-59.3	-36	-177.1	-26.9	35.1	0	0	0	114.1	T371 R376 R377	T371-P373 WeakPolarHBondContact O-CD 3.28Å; P373-R376 PolarHBondContact O-N 2.84Å; P373-R377 WeakPolarHBondContact O-CG 3.3Å; P373-R377 PolarHBondContact O-N 3.32Å
374	T	88	Confident	89.1	Confident	58 Å²	58	34.4 Å²	34.4	36%	0.356	18%	0.182	S	C	.	.	H	α-helix	trans	-70.4	-38.5	-177.7	-51	0	0	0	0	111.7	L348 N372 R376 R377 Y378	L348-T374 HydrophobicContact CD2-CG2 3.73Å; N372-T374 VanDerWaalsContact C-N 3.3Å; N372-T374 PolarHBondContact O-N 3.02Å; N372-T374 WeakPolarHBondContact OD1-CB 3.46Å; N372-T374 PolarHBondContact OD1-N 3.15Å; T374-R376 VanDerWaalsContact C-N 3.3Å; T374-R376 PolarHBondContact O-N 3.29Å; T374-R377 PolarHBondContact O-N 3.23Å; T374-Y378 PolarHBondContact O-N 3.47Å
375	V	91.1	Very high	89	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-40	174.5	175.1	0	0	0	0	110.7	L333 W338 L351 L365 F370 N372 Y378 A379	L333-V375 HydrophobicContact CD1-CG1 3.79Å; L333-V375 HydrophobicContact CD1-CG2 4.44Å; L333-V375 HydrophobicContact CD2-CG2 4.08Å; W338-V375 HydrophobicContact CH2-CG2 3.5Å; W338-V375 VanDerWaalsContact CH2-CG2 3.5Å; W338-V375 HydrophobicContact CZ2-CG2 3.83Å; W338-V375 HydrophobicContact CZ3-CG2 4.46Å; L351-V375 HydrophobicContact CD2-CG2 4.4Å; L365-V375 HydrophobicContact CB-CG1 4.32Å; L365-V375 HydrophobicContact CD1-CG1 4.21Å; L365-V375 HydrophobicContact CD2-CG1 4.23Å; F370-V375 HydrophobicContact CB-CG1 4.39Å; F370-V375 HydrophobicContact CD1-CG1 4.41Å; N372-V375 HydrophobicContact CB-CB 4.32Å; N372-V375 HydrophobicContact CB-CG2 4.03Å; N372-V375 PolarHBondContact O-N 2.95Å; V375-Y378 WeakPolarHBondContact O-CB 3.45Å; V375-Y378 PolarHBondContact O-N 3.34Å; V375-A379 PolarHBondContact O-N 3.2Å
376	R	90.7	Very high	89	Confident	9 Å²	9	39.1 Å²	39.1	3%	0.034	21%	0.205	C	C	.	.	H	α-helix	trans	-70.1	-41.4	177.1	-69.6	-167.7	178	157.1	-5	113.2	L366 F370 N372 P373 T374 Y378 A379 V380 Y404 E405	L366-R376 HydrophobicContact CD2-CB 4.39Å; L366-R376 HydrophobicContact CD2-CG 4.36Å; F370-R376 PolarHBondContact O-NE 3.34Å; F370-R376 PolarHBondContact O-NH2 3.37Å; N372-R376 PolarHBondContact O-N 2.97Å; P373-R376 PolarHBondContact O-N 2.84Å; T374-R376 VanDerWaalsContact C-N 3.3Å; T374-R376 PolarHBondContact O-N 3.29Å; R376-Y378 PolarHBondContact O-N 2.96Å; R376-A379 WeakPolarHBondContact O-CA 3.45Å; R376-A379 WeakPolarHBondContact O-CB 3.4Å; R376-A379 PolarHBondContact O-N 2.84Å; R376-V380 WeakPolarHBondContact O-CG2 3.29Å; R376-V380 PolarHBondContact O-N 3.38Å; R376-Y404 VanDerWaalsContact NH1-C 3.32Å; R376-Y404 PolarHBondContact NH1-O 2.87Å; R376-Y404 PolarHBondContact NH2-O 3.41Å; R376-E405 WeakPolarHBondContact CD-OE2 3.36Å; R376-E405 IonicContact CZ-OE2 3.02Å; R376-E405 IonicContact NE-OE2 3.42Å; R376-E405 IonicContact NH1-OE2 3.69Å; R376-E405 PolarHBondContact NH1-OE2 3.21Å
377	R	89.2	Confident	89.1	Confident	90 Å²	90	44.1 Å²	44.1	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-38.9	172.4	-73.3	176.4	-163.1	147.8	5.2	111.7	P373 T374 V380 A381	P373-R377 WeakPolarHBondContact O-CG 3.3Å; P373-R377 PolarHBondContact O-N 3.32Å; T374-R377 PolarHBondContact O-N 3.23Å; R377-V380 PolarHBondContact O-N 2.95Å; R377-A381 WeakPolarHBondContact O-CB 3.42Å; R377-A381 PolarHBondContact O-N 3.43Å
378	Y	91	Very high	89.2	Confident	36 Å²	36	44.6 Å²	44.6	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-46.2	171.9	176.9	-92.8	0	0	0	111.6	L329 L351 P356 M357 L365 T374 V375 R376 V380 A381 R382	L329-Y378 HydrophobicContact CD2-CD1 4.48Å; L329-Y378 HydrophobicContact CD2-CE1 3.62Å; L351-Y378 HydrophobicContact CD1-CD1 3.99Å; L351-Y378 HydrophobicContact CD1-CD2 4.17Å; L351-Y378 HydrophobicContact CD1-CE1 4.19Å; L351-Y378 HydrophobicContact CD1-CE2 4.35Å; L351-Y378 HydrophobicContact CD1-CG 3.97Å; L351-Y378 HydrophobicContact CD2-CG 4.22Å; L351-Y378 HydrophobicContact CG-CD2 4.14Å; L351-Y378 HydrophobicContact CG-CG 4.18Å; P356-Y378 WeakPolarHBondContact CA-OH 3.27Å; M357-Y378 HydrophobicContact CG-CE1 3.96Å; M357-Y378 PolarHBondContact N-OH 3.48Å; M357-Y378 HydrophobicContact SD-CD1 4.38Å; M357-Y378 HydrophobicContact SD-CE1 3.7Å; L365-Y378 HydrophobicContact CD1-CD1 4.04Å; L365-Y378 HydrophobicContact CD1-CE1 4.42Å; T374-Y378 PolarHBondContact O-N 3.47Å; V375-Y378 WeakPolarHBondContact O-CB 3.45Å; V375-Y378 PolarHBondContact O-N 3.34Å; R376-Y378 PolarHBondContact O-N 2.96Å; Y378-V380 VanDerWaalsContact C-N 3.34Å; Y378-V380 PolarHBondContact O-N 3.45Å; Y378-A381 WeakPolarHBondContact O-CB 3.18Å; Y378-A381 PolarHBondContact O-N 3Å; Y378-R382 HydrophobicContact CD1-CG 4.36Å; Y378-R382 HydrophobicContact CE1-CG 3.97Å; Y378-R382 WeakPolarHBondContact O-CG 3.11Å; Y378-R382 PolarHBondContact O-N 3.46Å
379	A	91.8	Very high	89.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-42.5	175.2	0	0	0	0	0	112.3	L365 L366 V375 R376 A381 R382 L383	L365-A379 HydrophobicContact CB-CB 3.82Å; L365-A379 HydrophobicContact CD1-CB 4.29Å; L366-A379 HydrophobicContact CD2-CB 3.95Å; L366-A379 HydrophobicContact CG-CB 4.11Å; V375-A379 PolarHBondContact O-N 3.2Å; R376-A379 WeakPolarHBondContact O-CA 3.45Å; R376-A379 WeakPolarHBondContact O-CB 3.4Å; R376-A379 PolarHBondContact O-N 2.84Å; A379-A381 PolarHBondContact O-N 2.7Å; A379-R382 WeakPolarHBondContact O-CB 3.34Å; A379-R382 PolarHBondContact O-N 2.86Å; A379-R382 VanDerWaalsContact O-N 3.16Å; A379-L383 WeakPolarHBondContact O-CG 3.34Å; A379-L383 PolarHBondContact O-N 3.42Å
380	V	91.4	Very high	89.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-41.5	175.1	175.6	0	0	0	0	111.5	R376 R377 Y378 R382 L383 Q384 L464 F467	R376-V380 WeakPolarHBondContact O-CG2 3.29Å; R376-V380 PolarHBondContact O-N 3.38Å; R377-V380 PolarHBondContact O-N 2.95Å; Y378-V380 VanDerWaalsContact C-N 3.34Å; Y378-V380 PolarHBondContact O-N 3.45Å; V380-R382 PolarHBondContact O-N 3.26Å; V380-L383 PolarHBondContact O-N 3.33Å; V380-L383 VanDerWaalsContact O-N 3.16Å; V380-Q384 WeakPolarHBondContact O-CG 3.24Å; V380-Q384 PolarHBondContact O-N 3.01Å; V380-L464 HydrophobicContact CG2-CB 3.93Å; V380-L464 HydrophobicContact CG2-CD1 4.17Å; V380-F467 HydrophobicContact CG1-CB 3.62Å; V380-F467 HydrophobicContact CG1-CD1 4.33Å; V380-F467 HydrophobicContact CG1-CD2 4.34Å; V380-F467 HydrophobicContact CG1-CG 3.84Å
381	A	90.8	Very high	89.5	Confident	14 Å²	14	46.2 Å²	46.2	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-30.6	175.4	0	0	0	0	0	112.5	R377 Y378 A379 L460	R377-A381 WeakPolarHBondContact O-CB 3.42Å; R377-A381 PolarHBondContact O-N 3.43Å; Y378-A381 WeakPolarHBondContact O-CB 3.18Å; Y378-A381 PolarHBondContact O-N 3Å; A379-A381 PolarHBondContact O-N 2.7Å; A381-L460 HydrophobicContact CB-CD2 4.09Å
382	R	90.8	Very high	89.7	Confident	32 Å²	32	44.1 Å²	44.1	12%	0.121	22%	0.221	C	C	.	.	H	α-helix	trans	-72.3	-43.9	170.8	-60.3	-53.8	-64.5	150.8	3.8	111.7	M357 Y378 A379 V380 Q384 Q385	M357-R382 HydrophobicContact CG-CG 4.08Å; M357-R382 PolarHBondContact O-NE 2.97Å; M357-R382 PolarHBondContact O-NH2 3.18Å; Y378-R382 HydrophobicContact CD1-CG 4.36Å; Y378-R382 HydrophobicContact CE1-CG 3.97Å; Y378-R382 WeakPolarHBondContact O-CG 3.11Å; Y378-R382 PolarHBondContact O-N 3.46Å; A379-R382 WeakPolarHBondContact O-CB 3.34Å; A379-R382 PolarHBondContact O-N 2.86Å; A379-R382 VanDerWaalsContact O-N 3.16Å; V380-R382 PolarHBondContact O-N 3.26Å; R382-Q384 PolarHBondContact O-N 2.79Å; R382-Q385 WeakPolarHBondContact O-CB 3.36Å; R382-Q385 PolarHBondContact O-N 3.18Å; R382-Q385 VanDerWaalsContact O-N 3.08Å
383	L	90.3	Very high	89.9	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-29	176.3	-71.4	171	0	0	0	113.4	V359 L363 L366 A379 V380 Q385 A386 L398 L464 F467	V359-L383 HydrophobicContact CG1-CD2 3.93Å; L363-L383 HydrophobicContact CD2-CD2 3.83Å; L366-L383 HydrophobicContact CD1-CD1 3.61Å; A379-L383 WeakPolarHBondContact O-CG 3.34Å; A379-L383 PolarHBondContact O-N 3.42Å; V380-L383 PolarHBondContact O-N 3.33Å; V380-L383 VanDerWaalsContact O-N 3.16Å; L383-Q385 PolarHBondContact O-N 3.17Å; L383-A386 WeakPolarHBondContact O-CB 3.41Å; L383-A386 PolarHBondContact O-N 2.82Å; L383-A386 VanDerWaalsContact O-N 3.11Å; L383-L398 HydrophobicContact CD1-CD2 3.75Å; L383-L464 HydrophobicContact CD1-CD1 4.28Å; L383-F467 HydrophobicContact CB-CE1 3.93Å; L383-F467 HydrophobicContact CB-CZ 4.04Å
384	Q	89.1	Confident	90.1	Very high	41 Å²	41	49 Å²	49	19%	0.192	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.7	174.8	-76.6	173.8	8.2	0	0	113.5	V380 R382 A386 T459 F467	V380-Q384 WeakPolarHBondContact O-CG 3.24Å; V380-Q384 PolarHBondContact O-N 3.01Å; R382-Q384 PolarHBondContact O-N 2.79Å; Q384-A386 VanDerWaalsContact C-N 3.31Å; Q384-T459 PolarHBondContact NE2-O 3.49Å; Q384-F467 HydrophobicContact CB-CE2 4.17Å; Q384-F467 HydrophobicContact CG-CD2 3.58Å; Q384-F467 HydrophobicContact CG-CE2 3.49Å; Q384-F467 VanDerWaalsContact CG-CE2 3.49Å; Q384-F467 HydrophobicContact CG-CZ 4.5Å
385	Q	88.8	Confident	90.2	Very high	125 Å²	125	46.4 Å²	46.4	58%	0.584	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.3	179.6	-55.1	-174.9	3	0	0	112.9	R382 L383	R382-Q385 WeakPolarHBondContact O-CB 3.36Å; R382-Q385 PolarHBondContact O-N 3.18Å; R382-Q385 VanDerWaalsContact O-N 3.08Å; L383-Q385 PolarHBondContact O-N 3.17Å
386	A	89.8	Confident	90.3	Very high	8 Å²	8	50.1 Å²	50.1	7%	0.066	24%	0.241	C	C	.	.	S	Bend	trans	-75.5	150.5	178.7	0	0	0	0	0	111.6	V359 L383 Q384 R471	V359-A386 HydrophobicContact CG1-CB 3.75Å; V359-A386 HydrophobicContact CG2-CB 4.35Å; L383-A386 WeakPolarHBondContact O-CB 3.41Å; L383-A386 PolarHBondContact O-N 2.82Å; L383-A386 VanDerWaalsContact O-N 3.11Å; Q384-A386 VanDerWaalsContact C-N 3.31Å; A386-R471 PolarHBondContact O-NH2 3.48Å
387	D	91.3	Very high	90.3	Very high	112 Å²	112	54.8 Å²	54.8	60%	0.599	26%	0.264	S	S	*	.			trans	-76	160.7	172	-71.8	-34	0	0	0	111.3	E389 D390 L391	D387-E389 VanDerWaalsContact C-N 3.25Å; D387-E389 PolarHBondContact O-N 2.84Å; D387-D390 PolarHBondContact O-N 3.18Å; D387-L391 WeakPolarHBondContact O-CB 3.29Å; D387-L391 PolarHBondContact O-N 3.38Å
388	D	89.5	Confident	90.5	Very high	40 Å²	40	50.6 Å²	50.6	21%	0.214	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-29.4	-177.7	-74.9	-17.8	0	0	0	112.8	L392 R471 N475 L478	D388-L392 WeakPolarHBondContact O-CB 3.48Å; D388-L392 PolarHBondContact O-N 3.41Å; D388-R471 WeakPolarHBondContact OD1-CD 3.47Å; D388-R471 IonicContact OD1-CZ 3.36Å; D388-R471 IonicContact OD1-NE 3Å; D388-R471 IonicContact OD1-NH1 2.65Å; D388-R471 PolarHBondContact OD1-NH1 3.14Å; D388-R471 IonicContact OD2-NH1 3.68Å; D388-N475 WeakPolarHBondContact CB-ND2 3.42Å; D388-N475 VanDerWaalsContact CG-ND2 3.35Å; D388-N475 PolarHBondContact OD2-ND2 2.93Å; D388-L478 HydrophobicContact CB-CD1 3.93Å
389	E	88.6	Confident	90.5	Very high	145 Å²	145	48.9 Å²	48.9	68%	0.678	24%	0.241	S	C	*	.	H	α-helix	trans	-65.8	-47.4	175.9	-68.1	-82.4	141.2	0	0	110.8	D387 L392 M393	D387-E389 VanDerWaalsContact C-N 3.25Å; D387-E389 PolarHBondContact O-N 2.84Å; E389-L392 WeakPolarHBondContact O-CB 3.42Å; E389-L392 PolarHBondContact O-N 2.86Å; E389-M393 WeakPolarHBondContact O-CG 3.36Å; E389-M393 PolarHBondContact O-N 3.18Å
390	D	89	Confident	90.4	Very high	73 Å²	73	51.3 Å²	51.3	39%	0.39	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-42.6	177.4	-64.2	-21.3	0	0	0	110.7	D387 L392 M393 Y394	D387-D390 PolarHBondContact O-N 3.18Å; D390-L392 PolarHBondContact O-N 2.56Å; D390-M393 WeakPolarHBondContact O-CB 3.5Å; D390-M393 PolarHBondContact O-N 3.33Å; D390-M393 VanDerWaalsContact O-N 3.11Å; D390-Y394 WeakPolarHBondContact O-CD2 3.44Å
391	L	89.4	Confident	90.4	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-37.4	176.7	-171.2	68.2	0	0	0	111.6	D387 M393 Y394 L395 L398 F467 R471 L478	D387-L391 WeakPolarHBondContact O-CB 3.29Å; D387-L391 PolarHBondContact O-N 3.38Å; L391-M393 VanDerWaalsContact C-N 3.3Å; L391-M393 PolarHBondContact O-N 3.03Å; L391-Y394 CarbonylContact O-C 3.51Å; L391-Y394 PolarHBondContact O-N 3.34Å; L391-L395 WeakPolarHBondContact O-CA 3.36Å; L391-L395 PolarHBondContact O-N 3.09Å; L391-L398 HydrophobicContact CD1-CD1 3.32Å; L391-L398 HydrophobicContact CG-CD1 4.34Å; L391-F467 HydrophobicContact CD1-CE1 4Å; L391-F467 HydrophobicContact CD1-CZ 4.29Å; L391-F467 HydrophobicContact CD2-CE1 4.41Å; L391-F467 HydrophobicContact CD2-CZ 4.32Å; L391-R471 HydrophobicContact CD2-CB 4.25Å; L391-R471 HydrophobicContact CD2-CG 4.27Å; L391-L478 HydrophobicContact CD2-CD1 3.97Å
392	L	89.8	Confident	90.3	Very high	53 Å²	53	51.1 Å²	51.1	28%	0.277	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-36.5	177.6	-177.3	64.5	0	0	0	111.9	D388 E389 D390 Y394 L395 L478 Y481	D388-L392 WeakPolarHBondContact O-CB 3.48Å; D388-L392 PolarHBondContact O-N 3.41Å; E389-L392 WeakPolarHBondContact O-CB 3.42Å; E389-L392 PolarHBondContact O-N 2.86Å; D390-L392 PolarHBondContact O-N 2.56Å; L392-Y394 PolarHBondContact O-N 3.05Å; L392-L395 HydrophobicContact CD1-CD2 4.2Å; L392-L395 PolarHBondContact O-N 3.23Å; L392-L478 HydrophobicContact CB-CD2 3.99Å; L392-L478 HydrophobicContact CD1-CD2 3.96Å; L392-Y481 HydrophobicContact CD1-CD2 3.27Å; L392-Y481 HydrophobicContact CD1-CE2 3.67Å; L392-Y481 HydrophobicContact CD1-CG 4.04Å; L392-Y481 HydrophobicContact CD2-CE2 4.19Å
393	M	90.4	Very high	90.2	Very high	122 Å²	122	52.8 Å²	52.8	60%	0.601	26%	0.259	S	S	*	.	H	α-helix	trans	-62.3	-31.3	177.9	-55.6	-166	-166.6	0	0	112.7	E389 D390 L391	E389-M393 WeakPolarHBondContact O-CG 3.36Å; E389-M393 PolarHBondContact O-N 3.18Å; D390-M393 WeakPolarHBondContact O-CB 3.5Å; D390-M393 PolarHBondContact O-N 3.33Å; D390-M393 VanDerWaalsContact O-N 3.11Å; L391-M393 VanDerWaalsContact C-N 3.3Å; L391-M393 PolarHBondContact O-N 3.03Å
394	Y	90.9	Very high	90	Very high	59 Å²	59	57.2 Å²	57.2	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-106.4	1.8	-177.6	-50.8	-63.6	0	0	0	113.9	L363 D390 L391 L392 L396 Q397 L398	L363-Y394 HydrophobicContact CD1-CD1 3.6Å; L363-Y394 HydrophobicContact CD1-CD2 3.98Å; L363-Y394 HydrophobicContact CD1-CE1 3.88Å; L363-Y394 HydrophobicContact CD1-CE2 4.23Å; L363-Y394 HydrophobicContact CD1-CG 3.66Å; D390-Y394 WeakPolarHBondContact O-CD2 3.44Å; L391-Y394 CarbonylContact O-C 3.51Å; L391-Y394 PolarHBondContact O-N 3.34Å; L392-Y394 PolarHBondContact O-N 3.05Å; Y394-L396 VanDerWaalsContact C-N 3.29Å; Y394-L396 PolarHBondContact O-N 3.17Å; Y394-Q397 VanDerWaalsContact C-OE1 3.24Å; Y394-Q397 WeakPolarHBondContact O-CA 3.33Å; Y394-Q397 WeakPolarHBondContact O-CB 3.37Å; Y394-Q397 PolarHBondContact O-N 3Å; Y394-Q397 PolarHBondContact O-OE1 3.39Å; Y394-L398 WeakPolarHBondContact O-CG 3.34Å; Y394-L398 PolarHBondContact O-N 3.01Å
395	L	91.7	Very high	89.9	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-40.3	-169.3	-179.6	61.2	0	0	0	112.6	L391 L392 Q397 L398 V399 L468 L478 L482 Y485	L391-L395 WeakPolarHBondContact O-CA 3.36Å; L391-L395 PolarHBondContact O-N 3.09Å; L392-L395 HydrophobicContact CD1-CD2 4.2Å; L392-L395 PolarHBondContact O-N 3.23Å; L395-Q397 PolarHBondContact O-N 3.31Å; L395-L398 PolarHBondContact O-N 3.08Å; L395-V399 WeakPolarHBondContact O-CG2 3.24Å; L395-V399 PolarHBondContact O-N 2.97Å; L395-L468 HydrophobicContact CD1-CD2 4.1Å; L395-L478 HydrophobicContact CD2-CD2 4.13Å; L395-L482 HydrophobicContact CD1-CD1 4.45Å; L395-Y485 HydrophobicContact CB-CE2 4.19Å; L395-Y485 HydrophobicContact CD2-CD2 4.17Å; L395-Y485 HydrophobicContact CD2-CE2 3.94Å; L395-Y485 HydrophobicContact CG-CD2 3.99Å; L395-Y485 HydrophobicContact CG-CE2 3.91Å
396	L	91.3	Very high	89.6	Confident	78 Å²	78	53.4 Å²	53.4	41%	0.408	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-43.8	177	179.9	62.8	0	0	0	111.3	Y394 L398 V399 Q400 Y485	Y394-L396 VanDerWaalsContact C-N 3.29Å; Y394-L396 PolarHBondContact O-N 3.17Å; L396-L398 VanDerWaalsContact C-N 3.3Å; L396-L398 PolarHBondContact O-N 3.11Å; L396-V399 PolarHBondContact O-N 2.93Å; L396-Q400 VanDerWaalsContact O-CG 3.3Å; L396-Q400 WeakPolarHBondContact O-CG 3.5Å; L396-Q400 PolarHBondContact O-N 3.01Å; L396-Y485 HydrophobicContact CB-CD2 4.38Å; L396-Y485 HydrophobicContact CB-CE2 4.03Å; L396-Y485 HydrophobicContact CD1-CD1 4.22Å; L396-Y485 HydrophobicContact CD1-CD2 4.31Å; L396-Y485 HydrophobicContact CD1-CE1 4.47Å; L396-Y485 HydrophobicContact CD1-CG 4.15Å
397	Q	91.6	Very high	89.3	Confident	107 Å²	107	55.8 Å²	55.8	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-38.2	178.4	-65.4	77.7	-3.7	0	0	110.7	Y394 L395 Q400 A401	Y394-Q397 VanDerWaalsContact C-OE1 3.24Å; Y394-Q397 WeakPolarHBondContact O-CA 3.33Å; Y394-Q397 WeakPolarHBondContact O-CB 3.37Å; Y394-Q397 PolarHBondContact O-N 3Å; Y394-Q397 PolarHBondContact O-OE1 3.39Å; L395-Q397 PolarHBondContact O-N 3.31Å; Q397-Q400 CarbonylContact O-C 3.53Å; Q397-Q400 PolarHBondContact O-N 2.9Å; Q397-A401 PolarHBondContact O-N 2.88Å
398	L	92.5	Very high	88.8	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-41.1	175.8	-65.7	173.2	0	0	0	112.3	L363 L366 L383 L391 Y394 L395 L396 Q400 A401 L402 L464 L468	L363-L398 HydrophobicContact CD2-CD2 3.73Å; L363-L398 HydrophobicContact CD2-CG 4.48Å; L366-L398 HydrophobicContact CD1-CD2 3.64Å; L383-L398 HydrophobicContact CD1-CD2 3.75Å; L391-L398 HydrophobicContact CD1-CD1 3.32Å; L391-L398 HydrophobicContact CG-CD1 4.34Å; Y394-L398 WeakPolarHBondContact O-CG 3.34Å; Y394-L398 PolarHBondContact O-N 3.01Å; L395-L398 PolarHBondContact O-N 3.08Å; L396-L398 VanDerWaalsContact C-N 3.3Å; L396-L398 PolarHBondContact O-N 3.11Å; L398-Q400 VanDerWaalsContact C-N 3.28Å; L398-Q400 PolarHBondContact O-N 3.33Å; L398-A401 WeakPolarHBondContact O-CB 3.28Å; L398-A401 PolarHBondContact O-N 3.13Å; L398-A401 VanDerWaalsContact O-N 3.15Å; L398-L402 PolarHBondContact O-N 2.67Å; L398-L464 HydrophobicContact CD2-CD1 4.28Å; L398-L468 HydrophobicContact CB-CD1 4.3Å; L398-L468 HydrophobicContact CB-CD2 4.19Å; L398-L468 HydrophobicContact CD1-CD2 4.1Å
399	V	91.3	Very high	88.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-42.3	172.1	173.1	0	0	0	0	110.2	L395 L396 A401 L402 L482 Y485 V486 Y506	L395-V399 WeakPolarHBondContact O-CG2 3.24Å; L395-V399 PolarHBondContact O-N 2.97Å; L396-V399 PolarHBondContact O-N 2.93Å; V399-A401 VanDerWaalsContact C-N 3.3Å; V399-A401 PolarHBondContact O-N 3.09Å; V399-L402 VanDerWaalsContact O-CB 3.3Å; V399-L402 WeakPolarHBondContact O-CB 3.46Å; V399-L402 PolarHBondContact O-N 2.79Å; V399-L482 HydrophobicContact CG2-CD1 3.68Å; V399-Y485 HydrophobicContact CG2-CD2 4.32Å; V399-V486 HydrophobicContact CG1-CG2 4.17Å; V399-Y506 HydrophobicContact CG1-CE1 4.03Å; V399-Y506 PolarHBondContact O-OH 3.33Å
400	Q	90.8	Very high	87.9	Confident	52 Å²	52	50.3 Å²	50.3	24%	0.243	25%	0.245	C	C	.	.	H	α-helix	trans	-68.4	-26.7	176.3	-68.8	-61.9	-44.3	0	0	113.4	L396 Q397 L398 L402 K403 E489	L396-Q400 VanDerWaalsContact O-CG 3.3Å; L396-Q400 WeakPolarHBondContact O-CG 3.5Å; L396-Q400 PolarHBondContact O-N 3.01Å; Q397-Q400 CarbonylContact O-C 3.53Å; Q397-Q400 PolarHBondContact O-N 2.9Å; L398-Q400 VanDerWaalsContact C-N 3.28Å; L398-Q400 PolarHBondContact O-N 3.33Å; Q400-L402 VanDerWaalsContact C-N 3.26Å; Q400-L402 PolarHBondContact O-N 2.68Å; Q400-K403 WeakPolarHBondContact O-CD 3.28Å; Q400-K403 VanDerWaalsContact O-CE 3.31Å; Q400-K403 WeakPolarHBondContact O-CE 3.24Å; Q400-K403 WeakPolarHBondContact O-CG 3.28Å; Q400-K403 PolarHBondContact O-N 3.08Å; Q400-E489 PolarHBondContact NE2-OE1 2.64Å
401	A	90.6	Very high	87.2	Confident	10 Å²	10	52.6 Å²	52.6	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-69.7	-23.9	176.1	0	0	0	0	0	112.6	L366 Q397 L398 V399 K403 Y404 L464	L366-A401 HydrophobicContact CB-CB 4.04Å; Q397-A401 PolarHBondContact O-N 2.88Å; L398-A401 WeakPolarHBondContact O-CB 3.28Å; L398-A401 PolarHBondContact O-N 3.13Å; L398-A401 VanDerWaalsContact O-N 3.15Å; V399-A401 VanDerWaalsContact C-N 3.3Å; V399-A401 PolarHBondContact O-N 3.09Å; A401-K403 PolarHBondContact O-N 3.05Å; A401-K403 VanDerWaalsContact O-N 3.1Å; A401-Y404 PolarHBondContact O-N 3.4Å; A401-L464 HydrophobicContact CB-CD2 3.97Å
402	L	88.7	Confident	86.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-57.6	-26	176.2	-64.6	171.9	0	0	0	113.1	L398 V399 Q400 Y404 E405 L464 C465 L468 M505 Y506 V509	L398-L402 PolarHBondContact O-N 2.67Å; V399-L402 VanDerWaalsContact O-CB 3.3Å; V399-L402 WeakPolarHBondContact O-CB 3.46Å; V399-L402 PolarHBondContact O-N 2.79Å; Q400-L402 VanDerWaalsContact C-N 3.26Å; Q400-L402 PolarHBondContact O-N 2.68Å; L402-Y404 PolarHBondContact O-N 3.35Å; L402-E405 WeakPolarHBondContact O-CB 3.28Å; L402-E405 PolarHBondContact O-N 2.99Å; L402-E405 VanDerWaalsContact O-N 3.17Å; L402-L464 HydrophobicContact CD2-CB 4.26Å; L402-L464 HydrophobicContact CD2-CD2 3.96Å; L402-L464 HydrophobicContact CD2-CG 3.94Å; L402-L464 HydrophobicContact CG-CD2 4.47Å; L402-C465 HydrophobicContact CD2-CB 4Å; L402-L468 HydrophobicContact CD1-CD1 4.25Å; L402-L468 HydrophobicContact CD2-CD1 4.35Å; L402-L468 HydrophobicContact CG-CD1 4.44Å; L402-M505 HydrophobicContact CB-CE 4.13Å; L402-M505 HydrophobicContact CB-SD 4.11Å; L402-Y506 HydrophobicContact CB-CE1 4.45Å; L402-V509 HydrophobicContact CD1-CG1 4.3Å; L402-V509 HydrophobicContact CD1-CG2 4.34Å
403	K	87.9	Confident	84.8	Confident	67 Å²	67	53.9 Å²	53.9	29%	0.291	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-67.8	-19	176.5	80.1	-160.4	173	-172.9	0	113.9	Q400 A401 F407 T502 M505	Q400-K403 WeakPolarHBondContact O-CD 3.28Å; Q400-K403 VanDerWaalsContact O-CE 3.31Å; Q400-K403 WeakPolarHBondContact O-CE 3.24Å; Q400-K403 WeakPolarHBondContact O-CG 3.28Å; Q400-K403 PolarHBondContact O-N 3.08Å; A401-K403 PolarHBondContact O-N 3.05Å; A401-K403 VanDerWaalsContact O-N 3.1Å; K403-F407 WeakPolarHBondContact O-CE1 3.5Å; K403-T502 HydrophobicContact CB-CG2 4.03Å; K403-M505 HydrophobicContact CB-CE 4.4Å
404	Y	87.8	Confident	83.1	Confident	95 Å²	95	52.2 Å²	52.2	37%	0.373	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-94	-10.8	177	-56.5	-56.4	0	0	0	111.9	R376 A401 L402	R376-Y404 VanDerWaalsContact NH1-C 3.32Å; R376-Y404 PolarHBondContact NH1-O 2.87Å; R376-Y404 PolarHBondContact NH2-O 3.41Å; A401-Y404 PolarHBondContact O-N 3.4Å; L402-Y404 PolarHBondContact O-N 3.35Å
405	E	85.3	Confident	81	Confident	25 Å²	25	54.3 Å²	54.3	12%	0.117	29%	0.286	C	S	.	.	S	Bend	trans	-67.4	158.8	179	-72.9	-71.6	-163.1	0	0	114.1	R376 L402 F407 I410 L464	R376-E405 WeakPolarHBondContact CD-OE2 3.36Å; R376-E405 IonicContact CZ-OE2 3.02Å; R376-E405 IonicContact NE-OE2 3.42Å; R376-E405 IonicContact NH1-OE2 3.69Å; R376-E405 PolarHBondContact NH1-OE2 3.21Å; L402-E405 WeakPolarHBondContact O-CB 3.28Å; L402-E405 PolarHBondContact O-N 2.99Å; L402-E405 VanDerWaalsContact O-N 3.17Å; E405-F407 WeakPolarHBondContact O-CD1 3.04Å; E405-F407 WeakPolarHBondContact O-CE1 3.38Å; E405-F407 PolarHBondContact O-N 3.17Å; E405-I410 HydrophobicContact CB-CD1 3.74Å; E405-I410 HydrophobicContact CB-CG1 4.42Å; E405-L464 HydrophobicContact CG-CB 4.44Å; E405-L464 WeakPolarHBondContact OE1-CB 3.5Å
406	N	83.5	Confident	78.4	Confident	62 Å²	62	60 Å²	60	33%	0.332	32%	0.323	S	S	.	.			trans	-71.2	111.3	173.5	-178.6	0.1	0	0	0	109.5	N408 D409 I410	N406-N408 PolarHBondContact O-N 3.01Å; N406-N408 WeakPolarHBondContact OD1-CB 3.25Å; N406-N408 PolarHBondContact OD1-N 3.1Å; N406-D409 HydrophobicContact CB-CB 4.29Å; N406-D409 WeakPolarHBondContact CB-OD2 3.13Å; N406-D409 VanDerWaalsContact ND2-CG 3.32Å; N406-D409 PolarHBondContact ND2-OD1 3.14Å; N406-D409 PolarHBondContact ND2-OD2 2.87Å; N406-D409 PolarHBondContact O-N 2.96Å; N406-D409 VanDerWaalsContact O-N 3.07Å; N406-I410 PolarHBondContact O-N 2.87Å
407	F	83.8	Confident	75.8	Confident	57 Å²	57	59.9 Å²	59.9	25%	0.25	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-28.2	-175.3	-59.7	-13.8	0	0	0	112.9	K403 E405 D409 I410 Q411 K501 M505	K403-F407 WeakPolarHBondContact O-CE1 3.5Å; E405-F407 WeakPolarHBondContact O-CD1 3.04Å; E405-F407 WeakPolarHBondContact O-CE1 3.38Å; E405-F407 PolarHBondContact O-N 3.17Å; F407-D409 VanDerWaalsContact C-N 3.35Å; F407-I410 HydrophobicContact CD1-CD1 4.48Å; F407-I410 PolarHBondContact O-N 2.82Å; F407-Q411 WeakPolarHBondContact O-CB 3.23Å; F407-Q411 PolarHBondContact O-N 2.88Å; F407-K501 HydrophobicContact CD2-CB 4.26Å; F407-K501 HydrophobicContact CE2-CB 3.91Å; F407-M505 HydrophobicContact CD1-CB 4.04Å; F407-M505 HydrophobicContact CD1-CG 3.64Å; F407-M505 HydrophobicContact CE1-CB 4.18Å; F407-M505 HydrophobicContact CE1-CE 4.49Å; F407-M505 HydrophobicContact CE1-CG 3.88Å; F407-M505 HydrophobicContact CG-CB 4.23Å; F407-M505 HydrophobicContact CG-CG 4.23Å; F407-M505 HydrophobicContact CZ-CB 4.48Å
408	N	80.4	Confident	72.7	Confident	113 Å²	113	59 Å²	59	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-66.9	-37.9	176	-65.9	-33.5	0	0	0	111.6	N406 Q411 G412	N406-N408 PolarHBondContact O-N 3.01Å; N406-N408 WeakPolarHBondContact OD1-CB 3.25Å; N406-N408 PolarHBondContact OD1-N 3.1Å; N408-Q411 PolarHBondContact O-N 3.02Å; N408-G412 PolarHBondContact O-N 3.2Å
409	D	78.8	Confident	69.9	Low	66 Å²	66	68.5 Å²	68.5	35%	0.353	39%	0.388	S	S	.	.	H	α-helix	trans	-69.5	-39.1	178.3	-62.2	-22	0	0	0	110.1	N406 F407 Q411 G412 G413	N406-D409 HydrophobicContact CB-CB 4.29Å; N406-D409 WeakPolarHBondContact CB-OD2 3.13Å; N406-D409 VanDerWaalsContact ND2-CG 3.32Å; N406-D409 PolarHBondContact ND2-OD1 3.14Å; N406-D409 PolarHBondContact ND2-OD2 2.87Å; N406-D409 PolarHBondContact O-N 2.96Å; N406-D409 VanDerWaalsContact O-N 3.07Å; F407-D409 VanDerWaalsContact C-N 3.35Å; D409-Q411 PolarHBondContact O-N 2.95Å; D409-G412 PolarHBondContact O-N 3.39Å; D409-G413 PolarHBondContact O-N 2.87Å
410	I	79.6	Confident	67	Low	4 Å²	4	79.1 Å²	79.1	2%	0.021	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-43.6	174.1	-64.4	175.5	0	0	0	111	E405 N406 F407 C465 M505 V509 R512	E405-I410 HydrophobicContact CB-CD1 3.74Å; E405-I410 HydrophobicContact CB-CG1 4.42Å; N406-I410 PolarHBondContact O-N 2.87Å; F407-I410 HydrophobicContact CD1-CD1 4.48Å; F407-I410 PolarHBondContact O-N 2.82Å; I410-C465 HydrophobicContact CG1-CB 4.31Å; I410-M505 HydrophobicContact CD1-CG 3.69Å; I410-M505 HydrophobicContact CD1-SD 3.9Å; I410-M505 HydrophobicContact CG2-CG 4.4Å; I410-V509 HydrophobicContact CG2-CG2 3.81Å; I410-R512 WeakPolarHBondContact O-CD 3.22Å; I410-R512 PolarHBondContact O-NH1 2.74Å
411	Q	75.6	Confident	64	Low	121 Å²	121	84.1 Å²	84.1	57%	0.565	46%	0.457	S	S	*	.	H	α-helix	trans	-72	-38.9	-179.6	-173.1	176.7	9.2	0	0	112.5	F407 N408 D409 G413	F407-Q411 WeakPolarHBondContact O-CB 3.23Å; F407-Q411 PolarHBondContact O-N 2.88Å; N408-Q411 PolarHBondContact O-N 3.02Å; D409-Q411 PolarHBondContact O-N 2.95Å; Q411-G413 VanDerWaalsContact C-N 3.29Å; Q411-G413 PolarHBondContact O-N 2.75Å
412	G	67.3	Low	61.2	Low	64 Å²	64	89.5 Å²	89.5	66%	0.66	49%	0.494	S	S	*	.	H	α-helix	trans	-66.8	-29.1	-177.5	0	0	0	0	0	113.5	N408 D409	N408-G412 PolarHBondContact O-N 3.2Å; D409-G412 PolarHBondContact O-N 3.39Å
413	G	61.8	Low	58.3	Low	23 Å²	23	98.4 Å²	98.4	24%	0.237	54%	0.535	C	S	.	.			trans	62.5	102.7	174.4	0	0	0	0	0	112.7	D409 Q411 E415	D409-G413 PolarHBondContact O-N 2.87Å; Q411-G413 VanDerWaalsContact C-N 3.29Å; Q411-G413 PolarHBondContact O-N 2.75Å; G413-E415 PolarHBondContact O-N 3.41Å
414	L	53.8	Low	55.5	Low	86 Å²	86	98.6 Å²	98.6	45%	0.45	56%	0.556	S	S	.	*			trans	-66.7	86.2	160.9	-74.5	158.9	0	0	0	107.5	P416 E461	L414-P416 VanDerWaalsContact O-CD 3.32Å; L414-P416 WeakPolarHBondContact O-CD 3.2Å; L414-E461 VanDerWaalsContact CD1-O 3.3Å; L414-E461 WeakPolarHBondContact CD1-O 3.3Å
415	E	47.9	Very low	52.6	Low	104 Å²	104	102.6 Å²	102.6	49%	0.486	58%	0.583	S	S	.	*			trans	-63.3	119.7	171	-78.3	-88.3	140.2	0	0	107.8	G413 G417 K519	G413-E415 PolarHBondContact O-N 3.41Å; E415-G417 PolarHBondContact O-N 3.36Å; E415-K519 IonicContact OE1-NZ 2.7Å; E415-K519 PolarHBondContact OE1-NZ 2.83Å; E415-K519 IonicContact OE2-NZ 3.42Å; E415-K519 PolarHBondContact OE2-NZ 3.06Å
416	P	37.2	Very low	49.9	Very low	122 Å²	122	106.8 Å²	106.8	79%	0.792	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	94.6	175.3	27.5	-29.6	0	0	0	108.2	L414	L414-P416 VanDerWaalsContact O-CD 3.32Å; L414-P416 WeakPolarHBondContact O-CD 3.2Å
417	G	35.1	Very low	47.1	Very low	77 Å²	77	111.6 Å²	111.6	79%	0.794	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.1	3.3	169.8	0	0	0	0	0	118.1	E415	E415-G417 PolarHBondContact O-N 3.36Å
418	S	28.1	Very low	44.3	Very low	89 Å²	89	116.1 Å²	116.1	62%	0.622	67%	0.668	S	S	*	*			trans	-98.2	94.1	175.6	-147	0	0	0	0	111	R420	S418-R420 PolarHBondContact O-N 3.02Å
419	K	32.2	Very low	41.9	Very low	201 Å²	201	115.2 Å²	115.2	87%	0.874	67%	0.67	S	S	*	*			trans	-55.1	108	163.3	-68.6	-177	177.2	-176.8	0	108.1
420	R	30.9	Very low	39.4	Very low	223 Å²	223	117.5 Å²	117.5	84%	0.842	69%	0.687	S	S	*	*			trans	-90.9	112.3	162.6	-75	-172	-174.6	179.2	4.5	107.4	S418 S422	S418-R420 PolarHBondContact O-N 3.02Å; R420-S422 PolarHBondContact O-N 3.47Å; R420-S422 VanDerWaalsContact O-N 3.15Å
421	D	28.6	Very low	37	Very low	157 Å²	157	125 Å²	125	84%	0.84	73%	0.726	S	S	*	*			trans	-60.2	110.2	166.3	-74.2	-53	0	0	0	109	Q423	D421-Q423 VanDerWaalsContact C-N 3.28Å; D421-Q423 PolarHBondContact O-N 2.91Å
422	S	30.1	Very low	34.5	Very low	123 Å²	123	126.2 Å²	126.2	86%	0.86	74%	0.736	S	S	*	*			trans	-76.3	76.7	173.1	-45.7	0	0	0	0	109.9	R420 G424	R420-S422 PolarHBondContact O-N 3.47Å; R420-S422 VanDerWaalsContact O-N 3.15Å; S422-G424 PolarHBondContact O-N 2.91Å
423	Q	29.4	Very low	32.6	Very low	188 Å²	188	127.6 Å²	127.6	88%	0.879	74%	0.736	S	S	*	*			trans	-81	97.9	154.3	-95.3	-179.9	-14.8	0	0	107.8	D421 L425	D421-Q423 VanDerWaalsContact C-N 3.28Å; D421-Q423 PolarHBondContact O-N 2.91Å; Q423-L425 PolarHBondContact O-N 3.43Å
424	G	27.9	Very low	31	Very low	71 Å²	71	131.8 Å²	131.8	73%	0.732	76%	0.761	S	S	*	*			trans	-63.9	125.3	171.9	0	0	0	0	0	110.7	S422 S426	S422-G424 PolarHBondContact O-N 2.91Å; G424-S426 PolarHBondContact O-N 3.28Å
425	L	28.4	Very low	29.9	Very low	178 Å²	178	135.9 Å²	135.9	93%	0.932	78%	0.778	S	S	*	*			trans	-83.4	96.9	159.5	-79.7	159.8	0	0	0	107.2	Q423	Q423-L425 PolarHBondContact O-N 3.43Å
426	S	27.5	Very low	28.9	Very low	113 Å²	113	138 Å²	138	79%	0.79	79%	0.791	S	S	*	*			trans	-75.9	120	158.2	51.1	0	0	0	0	108.3	G424	G424-S426 PolarHBondContact O-N 3.28Å
427	D	24.2	Very low	28.3	Very low	164 Å²	164	140.1 Å²	140.1	88%	0.877	80%	0.795	S	S	*	*			trans	-115.6	101.1	161.7	-153.9	7.8	0	0	0	106.9
428	D	26.6	Very low	27.7	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	79%	0.79	S	S	*	*			trans	-132	125.1	166.4	-177	38.8	0	0	0	108.2
429	S	28.4	Very low	27.7	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	80%	0.798	S	S	*	*			trans	-158.2	124.4	152	59.1	0	0	0	0	106.4
430	T	26.2	Very low	27.6	Very low	114 Å²	114	138.5 Å²	138.5	70%	0.699	79%	0.789	S	S	*	*				-170.9	131.5	65.7	34.4	0	0	0	0	112.1
431	L	30.1	Very low	27.3	Very low	160 Å²	160	133.8 Å²	133.8	84%	0.838	79%	0.79	S	S	*	*			trans	44	133.2	134.2	-59.9	157.9	0	0	0	118.9
432	D	23.4	Very low	27.1	Very low	147 Å²	147	130.1 Å²	130.1	79%	0.786	79%	0.789	S	S	*	*				-165.4	167.1	55.4	-166.4	15.6	0	0	0	112.6
433	S	27.7	Very low	26.8	Very low	94 Å²	94	130 Å²	130	66%	0.657	79%	0.789	S	S	*	*			trans	-70.6	156	-159.3	-47.3	0	0	0	0	118.8
434	S	27.7	Very low	26.6	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	79%	0.788	S	S	*	*				-177.6	121.6	118.3	36.5	0	0	0	0	115.3
435	Q	29.9	Very low	26.3	Very low	173 Å²	173	128.8 Å²	128.8	81%	0.808	79%	0.789	S	S	*	*			trans	60.1	101.2	135.7	-60	-175.6	-16.2	0	0	120.3
436	I	26.5	Very low	26.1	Very low	148 Å²	148	127 Å²	127	76%	0.759	79%	0.786	S	S	*	*				70.1	111.4	90.3	-62	164.6	0	0	0	114.5
437	L	25.3	Very low	25.9	Very low	167 Å²	167	126.2 Å²	126.2	87%	0.874	79%	0.786	S	S	*	*				-166.7	119	120.7	-97.3	164	0	0	0	110.8
438	S	23.3	Very low	26	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	79%	0.786	S	S	*	*			trans	-67.7	158.3	162	36	0	0	0	0	110
439	V	27.3	Very low	26	Very low	131 Å²	131	129.3 Å²	129.3	79%	0.794	79%	0.79	S	S	*	*				-169.1	-174.9	67.2	-152.7	0	0	0	0	109.2
440	P	30	Very low	26	Very low	104 Å²	104	134.8 Å²	134.8	68%	0.675	80%	0.802	S	S	*	*				-117.3	167.9	-99	39.9	-22	0	0	0	116.5
441	S	24.7	Very low	26	Very low	124 Å²	124	131.9 Å²	131.9	87%	0.867	80%	0.795	S	S	*	*			trans	24	116.5	139.6	-44.4	0	0	0	0	120.6
442	G	24.6	Very low	25.9	Very low	80 Å²	80	134.4 Å²	134.4	83%	0.825	80%	0.8	S	S	*	*			trans	-126.8	103	153.2	0	0	0	0	0	109.9
443	S	23.3	Very low	26	Very low	121 Å²	121	135.8 Å²	135.8	85%	0.846	80%	0.801	S	S	*	*			trans	-69.5	132.6	172.7	50	0	0	0	0	111.6
444	S	24.7	Very low	25.9	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	81%	0.806	S	S	*	*			trans	-142.6	115.9	146.2	56.1	0	0	0	0	110.2
445	S	22.1	Very low	26	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	80%	0.797	S	S	*	*			trans	-75	138	171.2	48.1	0	0	0	0	110.8
446	T	23.7	Very low	26.1	Very low	142 Å²	142	130.6 Å²	130.6	87%	0.871	79%	0.79	S	S	*	*			trans	-163.8	127.4	132	13	0	0	0	0	113.5
447	A	24.9	Very low	26.5	Very low	95 Å²	95	127.5 Å²	127.5	79%	0.785	78%	0.782	S	S	*	*			trans	70	97.3	141.9	0	0	0	0	0	120.1	Q449	A447-Q449 PolarHBondContact O-N 3.49Å
448	Q	24.6	Very low	27.2	Very low	187 Å²	187	127 Å²	127	87%	0.874	78%	0.775	S	S	*	*			trans	-53.1	125.3	150.9	-75.8	166.9	-26.5	0	0	111.4
449	Q	27.2	Very low	28.1	Very low	194 Å²	194	124.8 Å²	124.8	91%	0.907	76%	0.757	S	S	*	*			trans	-109.8	108.7	144.9	-86.6	-175.6	-10.9	0	0	108	A447 G451	A447-Q449 PolarHBondContact O-N 3.49Å; Q449-G451 PolarHBondContact O-N 2.77Å
450	K	29.1	Very low	29.2	Very low	209 Å²	209	123.4 Å²	123.4	91%	0.909	75%	0.745	S	S	*	*			trans	-68.9	111.2	165.6	-96.9	177.4	170.2	176.4	0	108
451	G	25.6	Very low	30.7	Very low	53 Å²	53	124.3 Å²	124.3	55%	0.546	74%	0.74	S	S	.	*			trans	-151.3	92	173.1	0	0	0	0	0	111.8	Q449 E453	Q449-G451 PolarHBondContact O-N 2.77Å; G451-E453 PolarHBondContact O-N 2.82Å
452	K	28.8	Very low	33.2	Very low	214 Å²	214	121 Å²	121	93%	0.93	71%	0.711	S	S	*	*			trans	47	45.9	140.2	-135.6	-178.4	-173.2	-173.2	0	119
453	E	25.2	Very low	36.2	Very low	175 Å²	175	118 Å²	118	82%	0.818	68%	0.676	S	S	*	*			trans	-98.6	7.7	176.4	-78.8	179.6	167.5	0	0	115	G451 A455	G451-E453 PolarHBondContact O-N 2.82Å; E453-A455 PolarHBondContact O-N 2.89Å
454	G	25.3	Very low	39.4	Very low	73 Å²	73	112.3 Å²	112.3	75%	0.753	64%	0.636	S	S	*	*	S	Bend	trans	-81.3	-9.3	-171.7	0	0	0	0	0	117.1
455	A	29.5	Very low	42.5	Very low	71 Å²	71	106.5 Å²	106.5	59%	0.587	60%	0.596	S	S	*	*	S	Bend	trans	-110.3	-24	-173.5	0	0	0	0	0	114.3	E453 T459	E453-A455 PolarHBondContact O-N 2.89Å; A455-T459 PolarHBondContact O-OG1 2.97Å
456	D	32.7	Very low	45.8	Very low	124 Å²	124	101.9 Å²	101.9	66%	0.663	56%	0.563	S	S	*	*	S	Bend	trans	-83.5	-15.3	-176.6	-73.1	-19.3	0	0	0	113.1	T459	D456-T459 WeakPolarHBondContact CA-OG1 3Å; D456-T459 PolarHBondContact O-OG1 3.18Å
457	S	33.8	Very low	49	Very low	84 Å²	84	95.4 Å²	95.4	59%	0.587	52%	0.522	S	S	*	.	S	Bend	trans	-80.9	-26.8	178.1	-165.7	0	0	0	0	113.4	T459	S457-T459 VanDerWaalsContact C-N 3.31Å
458	E	40.2	Very low	52.2	Low	156 Å²	156	91.1 Å²	91.1	73%	0.729	49%	0.487	S	S	*	.	S	Bend	trans	-76.5	-19.1	177	-77	-171.7	162.4	0	0	112.5
459	T	43.4	Very low	55.4	Low	52 Å²	52	82.9 Å²	82.9	32%	0.319	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-79.2	-21.7	-175.8	0.8	0	0	0	0	113	Q384 A455 D456 S457 E461	Q384-T459 PolarHBondContact NE2-O 3.49Å; A455-T459 PolarHBondContact O-OG1 2.97Å; D456-T459 WeakPolarHBondContact CA-OG1 3Å; D456-T459 PolarHBondContact O-OG1 3.18Å; S457-T459 VanDerWaalsContact C-N 3.31Å; T459-E461 VanDerWaalsContact C-N 3.34Å; T459-E461 PolarHBondContact O-N 3.42Å
460	L	49.4	Very low	58.5	Low	101 Å²	101	75.7 Å²	75.7	53%	0.529	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-83.1	-3.5	-177	-71.1	165.8	0	0	0	114.5	A381	A381-L460 HydrophobicContact CB-CD2 4.09Å
461	E	61.7	Low	61.4	Low	124 Å²	124	68.8 Å²	68.8	58%	0.579	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-106.6	3.3	-172.8	-66.9	-166.1	159.3	0	0	115	L414 T459	L414-E461 VanDerWaalsContact CD1-O 3.3Å; L414-E461 WeakPolarHBondContact CD1-O 3.3Å; T459-E461 VanDerWaalsContact C-N 3.34Å; T459-E461 PolarHBondContact O-N 3.42Å
462	Q	77.4	Confident	64.5	Low	55 Å²	55	66.4 Å²	66.4	26%	0.257	36%	0.363	S	S	.	.			trans	-82.9	131.7	-176.7	-65	-177.2	8.4	0	0	112.5
463	D	87.2	Confident	67.5	Low	17 Å²	17	57.5 Å²	57.5	9%	0.091	33%	0.327	C	S	.	.			trans	-74.3	157.4	166.8	61.6	-43.1	0	0	0	111.4	C465 T466 F467 R512	D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 PolarHBondContact O-N 3.37Å; D463-T466 PolarHBondContact O-N 2.76Å; D463-T466 WeakPolarHBondContact OD1-CB 3.23Å; D463-T466 PolarHBondContact OD1-OG1 3.1Å; D463-T466 PolarHBondContact OD2-OG1 2.93Å; D463-F467 PolarHBondContact O-N 3.25Å; D463-R512 IonicContact OD2-NH1 3.86Å; D463-R512 PolarHBondContact OD2-NH1 3.35Å
464	L	90.1	Very high	70.6	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-39.4	-177.9	179.8	62.6	0	0	0	112.3	L366 V380 L383 L398 A401 L402 E405 F467 L468	L366-L464 HydrophobicContact CD1-CD1 4.19Å; L366-L464 HydrophobicContact CD1-CD2 4.15Å; L366-L464 HydrophobicContact CD2-CD2 4.42Å; V380-L464 HydrophobicContact CG2-CB 3.93Å; V380-L464 HydrophobicContact CG2-CD1 4.17Å; L383-L464 HydrophobicContact CD1-CD1 4.28Å; L398-L464 HydrophobicContact CD2-CD1 4.28Å; A401-L464 HydrophobicContact CB-CD2 3.97Å; L402-L464 HydrophobicContact CD2-CB 4.26Å; L402-L464 HydrophobicContact CD2-CD2 3.96Å; L402-L464 HydrophobicContact CD2-CG 3.94Å; L402-L464 HydrophobicContact CG-CD2 4.47Å; E405-L464 HydrophobicContact CG-CB 4.44Å; E405-L464 WeakPolarHBondContact OE1-CB 3.5Å; L464-F467 HydrophobicContact CD1-CD1 4.27Å; L464-F467 PolarHBondContact O-N 2.97Å; L464-L468 HydrophobicContact CD1-CD1 4.33Å; L464-L468 HydrophobicContact CD1-CG 4.22Å; L464-L468 HydrophobicContact CG-CD1 4.19Å; L464-L468 HydrophobicContact CG-CG 4.48Å; L464-L468 WeakPolarHBondContact O-CG 3.27Å; L464-L468 PolarHBondContact O-N 3.4Å
465	C	90.9	Very high	73.7	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-49.4	178.3	-179.6	0	0	0	0	111.8	L402 I410 D463 F467 L468 I469	L402-C465 HydrophobicContact CD2-CB 4Å; I410-C465 HydrophobicContact CG1-CB 4.31Å; D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 PolarHBondContact O-N 3.37Å; C465-F467 VanDerWaalsContact C-N 3.32Å; C465-F467 PolarHBondContact O-N 3Å; C465-L468 PolarHBondContact O-N 2.96Å; C465-I469 WeakPolarHBondContact O-CB 3.38Å; C465-I469 VanDerWaalsContact O-CG1 3.31Å; C465-I469 WeakPolarHBondContact O-CG1 3.38Å; C465-I469 PolarHBondContact O-N 3.24Å
466	T	90.6	Very high	76.5	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.08	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-40.1	177	-57.5	0	0	0	0	111.7	D463 I469 S470 R512	D463-T466 PolarHBondContact O-N 2.76Å; D463-T466 WeakPolarHBondContact OD1-CB 3.23Å; D463-T466 PolarHBondContact OD1-OG1 3.1Å; D463-T466 PolarHBondContact OD2-OG1 2.93Å; T466-I469 PolarHBondContact O-N 3.48Å; T466-S470 WeakPolarHBondContact O-CB 3.23Å; T466-S470 PolarHBondContact O-N 2.78Å; T466-R512 PolarHBondContact OG1-NH2 3.38Å
467	F	91.9	Very high	79.3	Confident	5 Å²	5	50.4 Å²	50.4	2%	0.022	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-51.9	176.1	167.7	-107.7	0	0	0	112	V380 L383 Q384 L391 D463 L464 C465 I469 S470 R471	V380-F467 HydrophobicContact CG1-CB 3.62Å; V380-F467 HydrophobicContact CG1-CD1 4.33Å; V380-F467 HydrophobicContact CG1-CD2 4.34Å; V380-F467 HydrophobicContact CG1-CG 3.84Å; L383-F467 HydrophobicContact CB-CE1 3.93Å; L383-F467 HydrophobicContact CB-CZ 4.04Å; Q384-F467 HydrophobicContact CB-CE2 4.17Å; Q384-F467 HydrophobicContact CG-CD2 3.58Å; Q384-F467 HydrophobicContact CG-CE2 3.49Å; Q384-F467 VanDerWaalsContact CG-CE2 3.49Å; Q384-F467 HydrophobicContact CG-CZ 4.5Å; L391-F467 HydrophobicContact CD1-CE1 4Å; L391-F467 HydrophobicContact CD1-CZ 4.29Å; L391-F467 HydrophobicContact CD2-CE1 4.41Å; L391-F467 HydrophobicContact CD2-CZ 4.32Å; D463-F467 PolarHBondContact O-N 3.25Å; L464-F467 HydrophobicContact CD1-CD1 4.27Å; L464-F467 PolarHBondContact O-N 2.97Å; C465-F467 VanDerWaalsContact C-N 3.32Å; C465-F467 PolarHBondContact O-N 3Å; F467-I469 VanDerWaalsContact C-N 3.35Å; F467-I469 PolarHBondContact O-N 2.94Å; F467-S470 PolarHBondContact O-N 2.61Å; F467-R471 HydrophobicContact CD2-CG 4.41Å; F467-R471 HydrophobicContact CE2-CG 3.8Å; F467-R471 HydrophobicContact CZ-CG 4.09Å; F467-R471 PolarHBondContact O-N 3.04Å
468	L	92.4	Very high	82	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-44	179.4	-70.7	175.7	0	0	0	111.7	L395 L398 L402 L464 C465 A472 L482	L395-L468 HydrophobicContact CD1-CD2 4.1Å; L398-L468 HydrophobicContact CB-CD1 4.3Å; L398-L468 HydrophobicContact CB-CD2 4.19Å; L398-L468 HydrophobicContact CD1-CD2 4.1Å; L402-L468 HydrophobicContact CD1-CD1 4.25Å; L402-L468 HydrophobicContact CD2-CD1 4.35Å; L402-L468 HydrophobicContact CG-CD1 4.44Å; L464-L468 HydrophobicContact CD1-CD1 4.33Å; L464-L468 HydrophobicContact CD1-CG 4.22Å; L464-L468 HydrophobicContact CG-CD1 4.19Å; L464-L468 HydrophobicContact CG-CG 4.48Å; L464-L468 WeakPolarHBondContact O-CG 3.27Å; L464-L468 PolarHBondContact O-N 3.4Å; C465-L468 PolarHBondContact O-N 2.96Å; L468-A472 WeakPolarHBondContact O-CB 3.47Å; L468-A472 PolarHBondContact O-N 3.11Å; L468-L482 HydrophobicContact CB-CD2 4.47Å
469	I	91.5	Very high	84.5	Confident	13 Å²	13	39.2 Å²	39.2	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-44.4	178	-69.7	170.9	0	0	0	111.1	C465 T466 F467 A472 C473 R512 F513 A516	C465-I469 WeakPolarHBondContact O-CB 3.38Å; C465-I469 VanDerWaalsContact O-CG1 3.31Å; C465-I469 WeakPolarHBondContact O-CG1 3.38Å; C465-I469 PolarHBondContact O-N 3.24Å; T466-I469 PolarHBondContact O-N 3.48Å; F467-I469 VanDerWaalsContact C-N 3.35Å; F467-I469 PolarHBondContact O-N 2.94Å; I469-A472 PolarHBondContact O-N 2.84Å; I469-C473 WeakPolarHBondContact O-CB 3.42Å; I469-C473 PolarHBondContact O-N 2.69Å; I469-C473 PolarHBondContact O-SG 2.82Å; I469-R512 HydrophobicContact CD1-CB 3.74Å; I469-F513 HydrophobicContact CD1-CB 4.36Å; I469-F513 HydrophobicContact CG1-CB 4.25Å; I469-F513 HydrophobicContact CG1-CD2 4.15Å; I469-F513 HydrophobicContact CG2-CD2 4.2Å; I469-A516 HydrophobicContact CG2-CB 3.47Å; I469-A516 VanDerWaalsContact CG2-CB 3.47Å
470	S	90.8	Very high	86.8	Confident	44 Å²	44	37 Å²	37	31%	0.308	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-44.9	-180	-179.8	0	0	0	0	112	T466 F467 C473	T466-S470 WeakPolarHBondContact O-CB 3.23Å; T466-S470 PolarHBondContact O-N 2.78Å; F467-S470 PolarHBondContact O-N 2.61Å; S470-C473 PolarHBondContact O-N 2.93Å
471	R	91	Very high	88.9	Confident	64 Å²	64	34.1 Å²	34.1	24%	0.242	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-44.6	174.6	-90.5	-71.4	-170.1	167.7	5.1	112.1	A386 D388 L391 F467 C473 K474 N475	A386-R471 PolarHBondContact O-NH2 3.48Å; D388-R471 WeakPolarHBondContact OD1-CD 3.47Å; D388-R471 IonicContact OD1-CZ 3.36Å; D388-R471 IonicContact OD1-NE 3Å; D388-R471 IonicContact OD1-NH1 2.65Å; D388-R471 PolarHBondContact OD1-NH1 3.14Å; D388-R471 IonicContact OD2-NH1 3.68Å; L391-R471 HydrophobicContact CD2-CB 4.25Å; L391-R471 HydrophobicContact CD2-CG 4.27Å; F467-R471 HydrophobicContact CD2-CG 4.41Å; F467-R471 HydrophobicContact CE2-CG 3.8Å; F467-R471 HydrophobicContact CZ-CG 4.09Å; F467-R471 PolarHBondContact O-N 3.04Å; R471-C473 VanDerWaalsContact C-N 3.27Å; R471-C473 PolarHBondContact O-N 2.91Å; R471-K474 PolarHBondContact O-N 3.36Å; R471-N475 PolarHBondContact O-N 2.89Å
472	A	91.1	Very high	90.4	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.017	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-37.1	176.8	0	0	0	0	0	112.3	L468 I469 K474 N475 A479 L482 F513 M527	L468-A472 WeakPolarHBondContact O-CB 3.47Å; L468-A472 PolarHBondContact O-N 3.11Å; I469-A472 PolarHBondContact O-N 2.84Å; A472-K474 PolarHBondContact O-N 3.44Å; A472-N475 CarbonylContact O-C 3.59Å; A472-N475 PolarHBondContact O-N 2.83Å; A472-A479 HydrophobicContact CB-CB 4.3Å; A472-A479 WeakPolarHBondContact O-CB 3.43Å; A472-L482 HydrophobicContact CB-CD2 3.58Å; A472-F513 HydrophobicContact CB-CE2 3.77Å; A472-F513 HydrophobicContact CB-CZ 4.32Å; A472-M527 WeakPolarHBondContact O-CE 3.45Å
473	C	90.6	Very high	91.2	Very high	28 Å²	28	27 Å²	27	19%	0.189	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-21.1	175.8	-74.2	0	0	0	0	113.7	I469 S470 R471 V524	I469-C473 WeakPolarHBondContact O-CB 3.42Å; I469-C473 PolarHBondContact O-N 2.69Å; I469-C473 PolarHBondContact O-SG 2.82Å; S470-C473 PolarHBondContact O-N 2.93Å; R471-C473 VanDerWaalsContact C-N 3.27Å; R471-C473 PolarHBondContact O-N 2.91Å; C473-V524 HydrophobicContact CB-CG1 4.37Å
474	K	90.3	Very high	91.4	Very high	165 Å²	165	28 Å²	28	72%	0.717	15%	0.145	S	C	*	.	H	α-helix	trans	-93.8	-25.4	178.7	-63.8	175.7	-175.5	176.5	0	113.2	R471 A472	R471-K474 PolarHBondContact O-N 3.36Å; A472-K474 PolarHBondContact O-N 3.44Å
475	N	90.9	Very high	91.6	Very high	32 Å²	32	31.3 Å²	31.3	17%	0.171	16%	0.158	C	C	.	.			trans	-126.3	116.1	-175.2	-175.3	-33.7	0	0	0	111.7	D388 R471 A472 T477 L478 A479	D388-N475 WeakPolarHBondContact CB-ND2 3.42Å; D388-N475 VanDerWaalsContact CG-ND2 3.35Å; D388-N475 PolarHBondContact OD2-ND2 2.93Å; R471-N475 PolarHBondContact O-N 2.89Å; A472-N475 CarbonylContact O-C 3.59Å; A472-N475 PolarHBondContact O-N 2.83Å; N475-T477 VanDerWaalsContact C-N 3.32Å; N475-T477 PolarHBondContact O-N 2.91Å; N475-T477 WeakPolarHBondContact OD1-CB 3.22Å; N475-T477 PolarHBondContact OD1-N 2.76Å; N475-T477 PolarHBondContact OD1-OG1 2.91Å; N475-L478 HydrophobicContact CB-CB 4.16Å; N475-L478 HydrophobicContact CB-CD1 3.94Å; N475-L478 HydrophobicContact CB-CG 4.2Å; N475-L478 PolarHBondContact O-N 3.38Å; N475-L478 PolarHBondContact OD1-N 3.41Å; N475-A479 PolarHBondContact O-N 3.36Å
476	A	88.3	Confident	91.6	Very high	63 Å²	63	31.5 Å²	31.5	52%	0.521	16%	0.159	S	C	.	.	H	α-helix	trans	-63.6	-33.9	-176.2	0	0	0	0	0	114.3	N480 M527	A476-N480 PolarHBondContact O-N 2.85Å; A476-M527 VanDerWaalsContact CA-SD 3.54Å; A476-M527 HydrophobicContact CB-SD 3.96Å
477	T	91.3	Very high	91.5	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.202	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-49.1	177.3	-9.2	0	0	0	0	110.4	N475 A479 N480 Y481 P586	N475-T477 VanDerWaalsContact C-N 3.32Å; N475-T477 PolarHBondContact O-N 2.91Å; N475-T477 WeakPolarHBondContact OD1-CB 3.22Å; N475-T477 PolarHBondContact OD1-N 2.76Å; N475-T477 PolarHBondContact OD1-OG1 2.91Å; T477-A479 PolarHBondContact O-N 3.45Å; T477-N480 PolarHBondContact O-N 2.82Å; T477-Y481 HydrophobicContact CG2-CE2 4.17Å; T477-Y481 WeakPolarHBondContact O-CD2 3.14Å; T477-Y481 PolarHBondContact O-N 2.81Å; T477-P586 HydrophobicContact CG2-CB 3.87Å; T477-P586 HydrophobicContact CG2-CG 3.83Å
478	L	91.3	Very high	91.4	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-41.3	176.4	-71.5	175.4	0	0	0	111.7	D388 L391 L392 L395 N475 N480 Y481 L482	D388-L478 HydrophobicContact CB-CD1 3.93Å; L391-L478 HydrophobicContact CD2-CD1 3.97Å; L392-L478 HydrophobicContact CB-CD2 3.99Å; L392-L478 HydrophobicContact CD1-CD2 3.96Å; L395-L478 HydrophobicContact CD2-CD2 4.13Å; N475-L478 HydrophobicContact CB-CB 4.16Å; N475-L478 HydrophobicContact CB-CD1 3.94Å; N475-L478 HydrophobicContact CB-CG 4.2Å; N475-L478 PolarHBondContact O-N 3.38Å; N475-L478 PolarHBondContact OD1-N 3.41Å; L478-N480 VanDerWaalsContact C-N 3.33Å; L478-N480 PolarHBondContact O-N 2.99Å; L478-Y481 PolarHBondContact O-N 3.41Å; L478-L482 WeakPolarHBondContact O-CB 3.33Å; L478-L482 PolarHBondContact O-N 3.34Å
479	A	91.6	Very high	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-43.1	175.1	0	0	0	0	0	112.9	A472 N475 T477 Y483 F513 M527	A472-A479 HydrophobicContact CB-CB 4.3Å; A472-A479 WeakPolarHBondContact O-CB 3.43Å; N475-A479 PolarHBondContact O-N 3.36Å; T477-A479 PolarHBondContact O-N 3.45Å; A479-Y483 VanDerWaalsContact O-CB 3.23Å; A479-Y483 WeakPolarHBondContact O-CB 3.19Å; A479-Y483 PolarHBondContact O-N 3.4Å; A479-F513 HydrophobicContact CB-CZ 4.08Å; A479-M527 HydrophobicContact CB-CE 3.67Å; A479-M527 HydrophobicContact CB-CG 4.21Å; A479-M527 HydrophobicContact CB-SD 3.36Å; A479-M527 WeakPolarHBondContact CB-SD 3.44Å
480	N	92.6	Very high	90.8	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-52.6	177.1	176.4	94.2	0	0	0	111.2	A476 T477 L478 Y483 W484 L531 Q534 P583 P586	A476-N480 PolarHBondContact O-N 2.85Å; T477-N480 PolarHBondContact O-N 2.82Å; L478-N480 VanDerWaalsContact C-N 3.33Å; L478-N480 PolarHBondContact O-N 2.99Å; N480-Y483 WeakPolarHBondContact O-CB 3.41Å; N480-Y483 PolarHBondContact O-N 2.88Å; N480-W484 PolarHBondContact O-N 2.89Å; N480-W484 VanDerWaalsContact O-N 3.1Å; N480-L531 HydrophobicContact CB-CD2 4.36Å; N480-Q534 PolarHBondContact OD1-NE2 2.83Å; N480-Q534 PolarHBondContact OD1-OE1 2.95Å; N480-Q534 VanDerWaalsContact OD1-OE1 3.08Å; N480-P583 PolarHBondContact ND2-O 3.46Å; N480-P586 HydrophobicContact CB-CB 4.25Å; N480-P586 HydrophobicContact CB-CG 3.73Å; N480-P586 WeakPolarHBondContact ND2-CG 3.46Å
481	Y	93.6	Very high	90.3	Very high	42 Å²	42	39.1 Å²	39.1	17%	0.165	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-41.6	-178.4	-67.8	-63.3	0	0	0	112.4	L392 T477 L478 Y483 W484 Y485 L584 P586	L392-Y481 HydrophobicContact CD1-CD2 3.27Å; L392-Y481 HydrophobicContact CD1-CE2 3.67Å; L392-Y481 HydrophobicContact CD1-CG 4.04Å; L392-Y481 HydrophobicContact CD2-CE2 4.19Å; T477-Y481 HydrophobicContact CG2-CE2 4.17Å; T477-Y481 WeakPolarHBondContact O-CD2 3.14Å; T477-Y481 PolarHBondContact O-N 2.81Å; L478-Y481 PolarHBondContact O-N 3.41Å; Y481-Y483 VanDerWaalsContact C-N 3.3Å; Y481-Y483 PolarHBondContact O-N 3.37Å; Y481-W484 PolarHBondContact O-N 3.24Å; Y481-Y485 WeakPolarHBondContact O-CB 3.05Å; Y481-Y485 WeakPolarHBondContact O-CD2 3.34Å; Y481-Y485 PolarHBondContact O-N 2.96Å; Y481-L584 WeakPolarHBondContact CE1-O 3.31Å; Y481-L584 PolarHBondContact OH-O 3.45Å; Y481-P586 HydrophobicContact CE2-CG 4.01Å; Y481-P586 VanDerWaalsContact OH-CD 3.26Å; Y481-P586 WeakPolarHBondContact OH-CD 3.42Å
482	L	93.8	Very high	88.9	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-44.3	175.3	-179.1	65.2	0	0	0	111.1	L395 V399 L468 A472 L478 Y485 V486 F513	L395-L482 HydrophobicContact CD1-CD1 4.45Å; V399-L482 HydrophobicContact CG2-CD1 3.68Å; L468-L482 HydrophobicContact CB-CD2 4.47Å; A472-L482 HydrophobicContact CB-CD2 3.58Å; L478-L482 WeakPolarHBondContact O-CB 3.33Å; L478-L482 PolarHBondContact O-N 3.34Å; L482-Y485 PolarHBondContact O-N 2.84Å; L482-V486 HydrophobicContact CD1-CG2 4.02Å; L482-V486 HydrophobicContact CG-CG2 4.48Å; L482-V486 VanDerWaalsContact O-CG2 3.31Å; L482-V486 WeakPolarHBondContact O-CG2 3.44Å; L482-V486 PolarHBondContact O-N 2.87Å; L482-F513 HydrophobicContact CD2-CD2 4.2Å; L482-F513 HydrophobicContact CD2-CE2 4.06Å; L482-F513 HydrophobicContact CD2-CZ 4.4Å
483	Y	92.9	Very high	87.3	Confident	26 Å²	26	47.1 Å²	47.1	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-52.6	177.1	-174.4	-101.2	0	0	0	111.7	A479 N480 Y481 V486 I487 M510 F513 L531 Q535	A479-Y483 VanDerWaalsContact O-CB 3.23Å; A479-Y483 WeakPolarHBondContact O-CB 3.19Å; A479-Y483 PolarHBondContact O-N 3.4Å; N480-Y483 WeakPolarHBondContact O-CB 3.41Å; N480-Y483 PolarHBondContact O-N 2.88Å; Y481-Y483 VanDerWaalsContact C-N 3.3Å; Y481-Y483 PolarHBondContact O-N 3.37Å; Y483-V486 PolarHBondContact O-N 3.07Å; Y483-I487 HydrophobicContact CE1-CD1 3.85Å; Y483-I487 WeakPolarHBondContact O-CB 3.46Å; Y483-I487 PolarHBondContact O-N 3.34Å; Y483-M510 HydrophobicContact CD2-CE 4.03Å; Y483-M510 HydrophobicContact CD2-SD 3.99Å; Y483-M510 HydrophobicContact CE2-CE 4.13Å; Y483-M510 HydrophobicContact CE2-SD 3.87Å; Y483-F513 HydrophobicContact CD2-CD1 4.24Å; Y483-F513 AromaticContact CD2-CE1 3.96Å; Y483-F513 HydrophobicContact CD2-CE1 3.96Å; Y483-L531 HydrophobicContact CD1-CD2 4.28Å; Y483-L531 HydrophobicContact CD2-CD1 4.17Å; Y483-L531 HydrophobicContact CG-CD1 4.21Å; Y483-L531 HydrophobicContact CG-CD2 4.16Å; Y483-Q535 HydrophobicContact CE1-CB 4.4Å; Y483-Q535 PolarHBondContact OH-OE1 3.32Å
484	W	92.8	Very high	85.6	Confident	37 Å²	37	54.1 Å²	54.1	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-69.1	-33.1	-178.1	-74.5	109	0	0	0	113.2	N480 Y481 I487 V488 Q534 V538 P583	N480-W484 PolarHBondContact O-N 2.89Å; N480-W484 VanDerWaalsContact O-N 3.1Å; Y481-W484 PolarHBondContact O-N 3.24Å; W484-I487 HydrophobicContact CD2-CG2 4.44Å; W484-I487 HydrophobicContact CE3-CG2 3.64Å; W484-I487 HydrophobicContact CZ3-CG2 4.1Å; W484-I487 WeakPolarHBondContact O-CG2 2.85Å; W484-V488 WeakPolarHBondContact O-CG2 3Å; W484-V488 PolarHBondContact O-N 2.97Å; W484-Q534 HydrophobicContact CZ2-CB 4.46Å; W484-Q534 HydrophobicContact CZ2-CG 3.89Å; W484-Q534 VanDerWaalsContact NE1-CD 3.26Å; W484-V538 HydrophobicContact CH2-CB 3.79Å; W484-V538 HydrophobicContact CH2-CG1 4.09Å; W484-V538 HydrophobicContact CH2-CG2 3.55Å; W484-V538 HydrophobicContact CZ2-CG2 3.95Å; W484-V538 HydrophobicContact CZ3-CG1 4.34Å; W484-V538 HydrophobicContact CZ3-CG2 4.42Å; W484-P583 HydrophobicContact CD2-CB 4.42Å; W484-P583 HydrophobicContact CZ2-CB 4.35Å; W484-P583 HydrophobicContact CZ2-CG 4.08Å
485	Y	92.9	Very high	83.8	Confident	70 Å²	70	51.6 Å²	51.6	28%	0.275	27%	0.274	S	S	.	.	H	α-helix	trans	-69.2	-42.3	175.5	-64.8	-20.4	0	0	0	112.1	L395 L396 V399 Y481 L482 E489	L395-Y485 HydrophobicContact CB-CE2 4.19Å; L395-Y485 HydrophobicContact CD2-CD2 4.17Å; L395-Y485 HydrophobicContact CD2-CE2 3.94Å; L395-Y485 HydrophobicContact CG-CD2 3.99Å; L395-Y485 HydrophobicContact CG-CE2 3.91Å; L396-Y485 HydrophobicContact CB-CD2 4.38Å; L396-Y485 HydrophobicContact CB-CE2 4.03Å; L396-Y485 HydrophobicContact CD1-CD1 4.22Å; L396-Y485 HydrophobicContact CD1-CD2 4.31Å; L396-Y485 HydrophobicContact CD1-CE1 4.47Å; L396-Y485 HydrophobicContact CD1-CG 4.15Å; V399-Y485 HydrophobicContact CG2-CD2 4.32Å; Y481-Y485 WeakPolarHBondContact O-CB 3.05Å; Y481-Y485 WeakPolarHBondContact O-CD2 3.34Å; Y481-Y485 PolarHBondContact O-N 2.96Å; L482-Y485 PolarHBondContact O-N 2.84Å; Y485-E489 WeakPolarHBondContact O-CG 3.2Å
486	V	91.6	Very high	82.2	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-73	-39.5	179	-179.3	0	0	0	0	111.1	V399 L482 Y483 V488 E489 C490 Y506 V509 M510	V399-V486 HydrophobicContact CG1-CG2 4.17Å; L482-V486 HydrophobicContact CD1-CG2 4.02Å; L482-V486 HydrophobicContact CG-CG2 4.48Å; L482-V486 VanDerWaalsContact O-CG2 3.31Å; L482-V486 WeakPolarHBondContact O-CG2 3.44Å; L482-V486 PolarHBondContact O-N 2.87Å; Y483-V486 PolarHBondContact O-N 3.07Å; V486-V488 VanDerWaalsContact C-N 3.33Å; V486-V488 PolarHBondContact O-N 2.87Å; V486-E489 PolarHBondContact O-N 2.95Å; V486-E489 VanDerWaalsContact O-N 3.09Å; V486-C490 PolarHBondContact O-N 2.94Å; V486-C490 PolarHBondContact O-SG 2.86Å; V486-Y506 HydrophobicContact CG1-CD1 4.4Å; V486-V509 HydrophobicContact CG1-CG1 4.38Å; V486-V509 HydrophobicContact CG2-CG1 4.33Å; V486-M510 HydrophobicContact CB-CE 3.8Å; V486-M510 HydrophobicContact CG1-CB 4.02Å; V486-M510 HydrophobicContact CG1-CE 3.79Å
487	I	89.4	Confident	80.6	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.082	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-37.6	-178.4	-154.9	164.2	0	0	0	112.3	Y483 W484 E489 C490 E491 M510 Q535	Y483-I487 HydrophobicContact CE1-CD1 3.85Å; Y483-I487 WeakPolarHBondContact O-CB 3.46Å; Y483-I487 PolarHBondContact O-N 3.34Å; W484-I487 HydrophobicContact CD2-CG2 4.44Å; W484-I487 HydrophobicContact CE3-CG2 3.64Å; W484-I487 HydrophobicContact CZ3-CG2 4.1Å; W484-I487 WeakPolarHBondContact O-CG2 2.85Å; I487-E489 VanDerWaalsContact C-N 3.26Å; I487-E489 PolarHBondContact O-N 2.92Å; I487-C490 CarbonylContact O-C 3.59Å; I487-C490 WeakPolarHBondContact O-CA 3.02Å; I487-C490 WeakPolarHBondContact O-CB 3.41Å; I487-C490 PolarHBondContact O-N 2.77Å; I487-E491 PolarHBondContact O-N 3.05Å; I487-M510 HydrophobicContact CB-CE 3.89Å; I487-M510 HydrophobicContact CG1-CE 4.42Å; I487-Q535 HydrophobicContact CD1-CG 4.41Å
488	V	88.6	Confident	79.4	Confident	68 Å²	68	66.2 Å²	66.2	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-29.7	175.9	170.6	0	0	0	0	111.8	W484 V486	W484-V488 WeakPolarHBondContact O-CG2 3Å; W484-V488 PolarHBondContact O-N 2.97Å; V486-V488 VanDerWaalsContact C-N 3.33Å; V486-V488 PolarHBondContact O-N 2.87Å
489	E	87.1	Confident	78.7	Confident	37 Å²	37	69.8 Å²	69.8	17%	0.173	34%	0.341	C	S	.	.	H	α-helix	trans	-79	-23.9	172.8	-63.9	-64	174.2	0	0	112.7	Q400 Y485 V486 I487 R498 Y506	Q400-E489 PolarHBondContact NE2-OE1 2.64Å; Y485-E489 WeakPolarHBondContact O-CG 3.2Å; V486-E489 PolarHBondContact O-N 2.95Å; V486-E489 VanDerWaalsContact O-N 3.09Å; I487-E489 VanDerWaalsContact C-N 3.26Å; I487-E489 PolarHBondContact O-N 2.92Å; E489-R498 PolarHBondContact O-NH1 3.49Å; E489-R498 IonicContact OE2-CZ 2.69Å; E489-R498 IonicContact OE2-NE 2.94Å; E489-R498 IonicContact OE2-NH2 2.82Å; E489-R498 PolarHBondContact OE2-NH2 3.21Å; E489-Y506 HydrophobicContact CB-CD1 4.19Å; E489-Y506 HydrophobicContact CB-CD2 3.79Å; E489-Y506 HydrophobicContact CB-CE1 4.37Å; E489-Y506 HydrophobicContact CB-CE2 3.96Å; E489-Y506 HydrophobicContact CB-CG 3.9Å; E489-Y506 HydrophobicContact CG-CE1 4.42Å; E489-Y506 HydrophobicContact CG-CE2 4.22Å
490	C	84.3	Confident	78.3	Confident	21 Å²	21	74.4 Å²	74.4	14%	0.142	37%	0.372	C	S	.	.	H	α-helix	trans	-79.7	-21.6	172.4	-64.3	0	0	0	0	113.9	V486 I487 H503 L507	V486-C490 PolarHBondContact O-N 2.94Å; V486-C490 PolarHBondContact O-SG 2.86Å; I487-C490 CarbonylContact O-C 3.59Å; I487-C490 WeakPolarHBondContact O-CA 3.02Å; I487-C490 WeakPolarHBondContact O-CB 3.41Å; I487-C490 PolarHBondContact O-N 2.77Å; C490-H503 PolarHBondContact O-CE1 2.86Å; C490-L507 HydrophobicContact CB-CD2 3.92Å
491	E	80.6	Confident	77.9	Confident	100 Å²	100	80.8 Å²	80.8	47%	0.467	40%	0.399	S	S	.	.	S	Bend	trans	-78.3	131	177.6	-74.2	-178.3	178.5	0	0	111.6	I487 Q493 R498	I487-E491 PolarHBondContact O-N 3.05Å; E491-Q493 PolarHBondContact O-N 3.07Å; E491-Q493 VanDerWaalsContact O-N 3.17Å; E491-R498 PolarHBondContact O-NH1 3.38Å
492	D	61.6	Low	77.5	Confident	130 Å²	130	80.4 Å²	80.4	70%	0.695	40%	0.401	S	S	*	.			trans	-71.1	105.4	172.3	-76.3	-29.4	0	0	0	109.5	H503	D492-H503 IonicContact OD1-CE1 2.97Å
493	Q	57.9	Low	77.1	Confident	104 Å²	104	82.2 Å²	82.2	49%	0.486	41%	0.409	S	S	.	.			trans	-81.2	122.6	161.2	-66.8	-156.2	0.9	0	0	108.4	E491 T495 K496	E491-Q493 PolarHBondContact O-N 3.07Å; E491-Q493 VanDerWaalsContact O-N 3.17Å; Q493-T495 PolarHBondContact O-N 3.26Å; Q493-K496 PolarHBondContact O-N 3.32Å
494	D	54.4	Low	76.9	Confident	175 Å²	175	86.1 Å²	86.1	94%	0.936	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	2.9	175.5	-68.5	-45.4	0	0	0	115.2
495	T	52	Low	76.7	Confident	112 Å²	112	84.5 Å²	84.5	69%	0.687	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-4.2	-167.7	47.6	0	0	0	0	115.1	Q493	Q493-T495 PolarHBondContact O-N 3.26Å
496	K	57.1	Low	76.6	Confident	143 Å²	143	81.5 Å²	81.5	62%	0.622	41%	0.411	S	S	*	.			trans	-134.4	119.3	179.1	-66.8	-178.4	-177.3	175.3	0	112	Q493 R498	Q493-K496 PolarHBondContact O-N 3.32Å; K496-R498 HydrophobicContact CB-CG 4.39Å; K496-R498 PolarHBondContact O-N 3.07Å
497	Q	55.5	Low	76.6	Confident	208 Å²	208	84.6 Å²	84.6	97%	0.972	43%	0.427	S	S	*	.			trans	-62.7	88.1	161.1	-74.2	177.5	-1	0	0	108.2
498	R	65.1	Low	76.5	Confident	83 Å²	83	84.5 Å²	84.5	31%	0.313	43%	0.426	S	S	.	.			trans	-80.1	147.4	172	-77.7	177.2	168.4	157.6	-7	109.2	E489 E491 K496 P500	E489-R498 PolarHBondContact O-NH1 3.49Å; E489-R498 IonicContact OE2-CZ 2.69Å; E489-R498 IonicContact OE2-NE 2.94Å; E489-R498 IonicContact OE2-NH2 2.82Å; E489-R498 PolarHBondContact OE2-NH2 3.21Å; E491-R498 PolarHBondContact O-NH1 3.38Å; K496-R498 HydrophobicContact CB-CG 4.39Å; K496-R498 PolarHBondContact O-N 3.07Å; R498-P500 WeakPolarHBondContact O-CD 3.38Å
499	D	76.6	Confident	76.7	Confident	81 Å²	81	81.5 Å²	81.5	43%	0.433	41%	0.408	S	S	.	.			trans	-62.6	121.3	171.2	168.6	36.1	0	0	0	109.4	K501 T502 H503	D499-K501 PolarHBondContact O-N 3.3Å; D499-K501 PolarHBondContact OD1-N 3.28Å; D499-T502 PolarHBondContact O-N 3.45Å; D499-T502 VanDerWaalsContact O-N 3.11Å; D499-T502 PolarHBondContact OD2-N 2.89Å; D499-T502 PolarHBondContact OD2-OG1 2.82Å; D499-H503 PolarHBondContact O-N 2.97Å
500	P	82.8	Confident	76.8	Confident	98 Å²	98	81.2 Å²	81.2	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-58.5	-31.5	-175.3	21.7	-34.2	0	0	0	112.9	R498 H503 E504	R498-P500 WeakPolarHBondContact O-CD 3.38Å; P500-H503 PolarHBondContact O-N 3.1Å; P500-E504 PolarHBondContact O-N 2.79Å
501	K	84.8	Confident	77.1	Confident	138 Å²	138	86.8 Å²	86.8	60%	0.6	43%	0.425	S	S	*	.	H	α-helix	trans	-66.7	-40.8	178.5	-62.8	-178.9	177.4	-179.8	0	112.2	F407 D499 H503 E504 M505	F407-K501 HydrophobicContact CD2-CB 4.26Å; F407-K501 HydrophobicContact CE2-CB 3.91Å; D499-K501 PolarHBondContact O-N 3.3Å; D499-K501 PolarHBondContact OD1-N 3.28Å; K501-H503 VanDerWaalsContact C-N 3.35Å; K501-E504 PolarHBondContact O-N 3.26Å; K501-M505 PolarHBondContact O-N 3.29Å
502	T	85.6	Confident	77.5	Confident	33 Å²	33	83.7 Å²	83.7	20%	0.202	41%	0.409	C	S	.	.	H	α-helix	trans	-67.1	-38.4	178.5	-58.4	0	0	0	0	111.3	K403 D499 M505 Y506	K403-T502 HydrophobicContact CB-CG2 4.03Å; D499-T502 PolarHBondContact O-N 3.45Å; D499-T502 VanDerWaalsContact O-N 3.11Å; D499-T502 PolarHBondContact OD2-N 2.89Å; D499-T502 PolarHBondContact OD2-OG1 2.82Å; T502-M505 HydrophobicContact CG2-CE 4.3Å; T502-M505 WeakPolarHBondContact O-CB 3.35Å; T502-M505 PolarHBondContact O-N 3.1Å; T502-Y506 HydrophobicContact CG2-CD2 4.15Å; T502-Y506 HydrophobicContact CG2-CE2 3.77Å; T502-Y506 VanDerWaalsContact O-CD2 3.27Å; T502-Y506 WeakPolarHBondContact O-CD2 3.42Å; T502-Y506 PolarHBondContact O-N 3.3Å
503	H	86.1	Confident	78.9	Confident	43 Å²	43	77.8 Å²	77.8	20%	0.199	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-46.4	174.7	177.5	84.2	0	0	0	111.9	C490 D492 D499 P500 K501 M505 Y506 L507	C490-H503 PolarHBondContact O-CE1 2.86Å; D492-H503 IonicContact OD1-CE1 2.97Å; D499-H503 PolarHBondContact O-N 2.97Å; P500-H503 PolarHBondContact O-N 3.1Å; K501-H503 VanDerWaalsContact C-N 3.35Å; H503-M505 VanDerWaalsContact C-N 3.27Å; H503-M505 PolarHBondContact O-N 2.96Å; H503-Y506 PolarHBondContact O-N 2.73Å; H503-L507 PolarHBondContact O-N 3.36Å; H503-L507 VanDerWaalsContact O-N 3.09Å
504	E	87.8	Confident	80.4	Confident	107 Å²	107	74.9 Å²	74.9	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-37.7	175.7	-173.4	176	-173.7	0	0	112.2	P500 K501 L507 N508	P500-E504 PolarHBondContact O-N 2.79Å; K501-E504 PolarHBondContact O-N 3.26Å; E504-L507 PolarHBondContact O-N 2.63Å; E504-N508 PolarHBondContact O-N 3.18Å; E504-N508 PolarHBondContact O-ND2 2.7Å
505	M	89.7	Confident	82	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.02	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-50.6	173.9	178.7	-78	-62.8	0	0	111.8	L402 K403 F407 I410 K501 T502 H503 L507 N508 V509	L402-M505 HydrophobicContact CB-CE 4.13Å; L402-M505 HydrophobicContact CB-SD 4.11Å; K403-M505 HydrophobicContact CB-CE 4.4Å; F407-M505 HydrophobicContact CD1-CB 4.04Å; F407-M505 HydrophobicContact CD1-CG 3.64Å; F407-M505 HydrophobicContact CE1-CB 4.18Å; F407-M505 HydrophobicContact CE1-CE 4.49Å; F407-M505 HydrophobicContact CE1-CG 3.88Å; F407-M505 HydrophobicContact CG-CB 4.23Å; F407-M505 HydrophobicContact CG-CG 4.23Å; F407-M505 HydrophobicContact CZ-CB 4.48Å; I410-M505 HydrophobicContact CD1-CG 3.69Å; I410-M505 HydrophobicContact CD1-SD 3.9Å; I410-M505 HydrophobicContact CG2-CG 4.4Å; K501-M505 PolarHBondContact O-N 3.29Å; T502-M505 HydrophobicContact CG2-CE 4.3Å; T502-M505 WeakPolarHBondContact O-CB 3.35Å; T502-M505 PolarHBondContact O-N 3.1Å; H503-M505 VanDerWaalsContact C-N 3.27Å; H503-M505 PolarHBondContact O-N 2.96Å; M505-L507 VanDerWaalsContact C-N 3.32Å; M505-L507 PolarHBondContact O-N 3.12Å; M505-N508 WeakPolarHBondContact O-CA 3.41Å; M505-N508 WeakPolarHBondContact O-CB 3.37Å; M505-N508 PolarHBondContact O-N 3.13Å; M505-V509 WeakPolarHBondContact O-CG2 3.35Å; M505-V509 PolarHBondContact O-N 2.85Å; M505-V509 HydrophobicContact SD-CG2 3.65Å
506	Y	91.1	Very high	83.8	Confident	6 Å²	6	66.6 Å²	66.6	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-36.6	178.8	-74.8	-63.7	0	0	0	112.6	V399 L402 V486 E489 T502 H503 N508 V509 M510	V399-Y506 HydrophobicContact CG1-CE1 4.03Å; V399-Y506 PolarHBondContact O-OH 3.33Å; L402-Y506 HydrophobicContact CB-CE1 4.45Å; V486-Y506 HydrophobicContact CG1-CD1 4.4Å; E489-Y506 HydrophobicContact CB-CD1 4.19Å; E489-Y506 HydrophobicContact CB-CD2 3.79Å; E489-Y506 HydrophobicContact CB-CE1 4.37Å; E489-Y506 HydrophobicContact CB-CE2 3.96Å; E489-Y506 HydrophobicContact CB-CG 3.9Å; E489-Y506 HydrophobicContact CG-CE1 4.42Å; E489-Y506 HydrophobicContact CG-CE2 4.22Å; T502-Y506 HydrophobicContact CG2-CD2 4.15Å; T502-Y506 HydrophobicContact CG2-CE2 3.77Å; T502-Y506 VanDerWaalsContact O-CD2 3.27Å; T502-Y506 WeakPolarHBondContact O-CD2 3.42Å; T502-Y506 PolarHBondContact O-N 3.3Å; H503-Y506 PolarHBondContact O-N 2.73Å; Y506-N508 VanDerWaalsContact C-N 3.31Å; Y506-N508 PolarHBondContact O-N 2.96Å; Y506-V509 PolarHBondContact O-N 3.06Å; Y506-M510 PolarHBondContact O-N 2.93Å
507	L	89.6	Confident	85.2	Confident	70 Å²	70	60 Å²	60	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-40.5	172.1	-70.9	176.1	0	0	0	111.9	C490 H503 E504 M505 M510 R511	C490-L507 HydrophobicContact CB-CD2 3.92Å; H503-L507 PolarHBondContact O-N 3.36Å; H503-L507 VanDerWaalsContact O-N 3.09Å; E504-L507 PolarHBondContact O-N 2.63Å; M505-L507 VanDerWaalsContact C-N 3.32Å; M505-L507 PolarHBondContact O-N 3.12Å; L507-M510 PolarHBondContact O-N 3.34Å; L507-R511 WeakPolarHBondContact O-CB 3.32Å; L507-R511 PolarHBondContact O-N 3Å
508	N	89.1	Confident	86.7	Confident	13 Å²	13	54.5 Å²	54.5	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-42.1	174.9	-73.4	-33.6	0	0	0	111.7	E504 M505 Y506 M510 R511 R512	E504-N508 PolarHBondContact O-N 3.18Å; E504-N508 PolarHBondContact O-ND2 2.7Å; M505-N508 WeakPolarHBondContact O-CA 3.41Å; M505-N508 WeakPolarHBondContact O-CB 3.37Å; M505-N508 PolarHBondContact O-N 3.13Å; Y506-N508 VanDerWaalsContact C-N 3.31Å; Y506-N508 PolarHBondContact O-N 2.96Å; N508-M510 PolarHBondContact O-N 3.34Å; N508-R511 WeakPolarHBondContact O-CB 3.44Å; N508-R511 PolarHBondContact O-N 3.43Å; N508-R511 PolarHBondContact OD1-NH1 3.3Å; N508-R511 PolarHBondContact OD1-NH2 3.24Å; N508-R512 WeakPolarHBondContact O-CG 3.38Å; N508-R512 PolarHBondContact O-N 3.15Å
509	V	91.1	Very high	87.7	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-47.7	174	175	0	0	0	0	110.6	L402 I410 V486 M505 Y506 R511 R512 F513	L402-V509 HydrophobicContact CD1-CG1 4.3Å; L402-V509 HydrophobicContact CD1-CG2 4.34Å; I410-V509 HydrophobicContact CG2-CG2 3.81Å; V486-V509 HydrophobicContact CG1-CG1 4.38Å; V486-V509 HydrophobicContact CG2-CG1 4.33Å; M505-V509 WeakPolarHBondContact O-CG2 3.35Å; M505-V509 PolarHBondContact O-N 2.85Å; M505-V509 HydrophobicContact SD-CG2 3.65Å; Y506-V509 PolarHBondContact O-N 3.06Å; V509-R511 VanDerWaalsContact C-N 3.33Å; V509-R511 PolarHBondContact O-N 2.82Å; V509-R512 PolarHBondContact O-N 2.81Å; V509-F513 WeakPolarHBondContact O-CB 3.49Å; V509-F513 PolarHBondContact O-N 2.86Å
510	M	90.6	Very high	88	Confident	31 Å²	31	54 Å²	54	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-40.9	177.4	-175.9	57	78.2	0	0	112	Y483 V486 I487 Y506 L507 N508 F513 S514	Y483-M510 HydrophobicContact CD2-CE 4.03Å; Y483-M510 HydrophobicContact CD2-SD 3.99Å; Y483-M510 HydrophobicContact CE2-CE 4.13Å; Y483-M510 HydrophobicContact CE2-SD 3.87Å; V486-M510 HydrophobicContact CB-CE 3.8Å; V486-M510 HydrophobicContact CG1-CB 4.02Å; V486-M510 HydrophobicContact CG1-CE 3.79Å; I487-M510 HydrophobicContact CB-CE 3.89Å; I487-M510 HydrophobicContact CG1-CE 4.42Å; Y506-M510 PolarHBondContact O-N 2.93Å; L507-M510 PolarHBondContact O-N 3.34Å; N508-M510 PolarHBondContact O-N 3.34Å; M510-F513 PolarHBondContact O-N 2.78Å; M510-F513 HydrophobicContact SD-CD1 4.36Å; M510-S514 WeakPolarHBondContact O-CB 3.38Å; M510-S514 PolarHBondContact O-N 2.85Å
511	R	89.7	Confident	88.1	Confident	138 Å²	138	55.2 Å²	55.2	52%	0.521	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-46.1	175.6	-166.5	-173.8	-57.5	131	8.5	111.3	L507 N508 V509 S514 Q515	L507-R511 WeakPolarHBondContact O-CB 3.32Å; L507-R511 PolarHBondContact O-N 3Å; N508-R511 WeakPolarHBondContact O-CB 3.44Å; N508-R511 PolarHBondContact O-N 3.43Å; N508-R511 PolarHBondContact OD1-NH1 3.3Å; N508-R511 PolarHBondContact OD1-NH2 3.24Å; V509-R511 VanDerWaalsContact C-N 3.33Å; V509-R511 PolarHBondContact O-N 2.82Å; R511-S514 PolarHBondContact O-N 2.77Å; R511-Q515 WeakPolarHBondContact O-CB 3.25Å; R511-Q515 VanDerWaalsContact O-CG 3.3Å; R511-Q515 WeakPolarHBondContact O-CG 3.36Å; R511-Q515 PolarHBondContact O-N 2.92Å
512	R	89.8	Confident	88.2	Confident	35 Å²	35	56.2 Å²	56.2	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-43.7	176.5	-73.5	-176.3	66.6	-166.2	-5.8	111.6	I410 D463 T466 I469 N508 V509 Q515 A516	I410-R512 WeakPolarHBondContact O-CD 3.22Å; I410-R512 PolarHBondContact O-NH1 2.74Å; D463-R512 IonicContact OD2-NH1 3.86Å; D463-R512 PolarHBondContact OD2-NH1 3.35Å; T466-R512 PolarHBondContact OG1-NH2 3.38Å; I469-R512 HydrophobicContact CD1-CB 3.74Å; N508-R512 WeakPolarHBondContact O-CG 3.38Å; N508-R512 PolarHBondContact O-N 3.15Å; V509-R512 PolarHBondContact O-N 2.81Å; R512-Q515 PolarHBondContact O-N 3.22Å; R512-A516 WeakPolarHBondContact O-CB 2.9Å; R512-A516 PolarHBondContact O-N 2.84Å
513	F	91.6	Very high	88.3	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-48.5	176.7	-175.5	-126.9	0	0	0	111.4	I469 A472 A479 L482 Y483 V509 M510 Q515 A516 L517 L531	I469-F513 HydrophobicContact CD1-CB 4.36Å; I469-F513 HydrophobicContact CG1-CB 4.25Å; I469-F513 HydrophobicContact CG1-CD2 4.15Å; I469-F513 HydrophobicContact CG2-CD2 4.2Å; A472-F513 HydrophobicContact CB-CE2 3.77Å; A472-F513 HydrophobicContact CB-CZ 4.32Å; A479-F513 HydrophobicContact CB-CZ 4.08Å; L482-F513 HydrophobicContact CD2-CD2 4.2Å; L482-F513 HydrophobicContact CD2-CE2 4.06Å; L482-F513 HydrophobicContact CD2-CZ 4.4Å; Y483-F513 HydrophobicContact CD2-CD1 4.24Å; Y483-F513 AromaticContact CD2-CE1 3.96Å; Y483-F513 HydrophobicContact CD2-CE1 3.96Å; V509-F513 WeakPolarHBondContact O-CB 3.49Å; V509-F513 PolarHBondContact O-N 2.86Å; M510-F513 PolarHBondContact O-N 2.78Å; M510-F513 HydrophobicContact SD-CD1 4.36Å; F513-Q515 VanDerWaalsContact C-N 3.32Å; F513-Q515 PolarHBondContact O-N 2.82Å; F513-A516 PolarHBondContact O-N 2.86Å; F513-L517 HydrophobicContact CD1-CD1 4.12Å; F513-L517 HydrophobicContact CD2-CG 4.32Å; F513-L517 HydrophobicContact CE1-CD1 3.73Å; F513-L517 HydrophobicContact CE1-CG 4.5Å; F513-L517 HydrophobicContact CE2-CD1 4.15Å; F513-L517 HydrophobicContact CE2-CD2 4.04Å; F513-L517 HydrophobicContact CE2-CG 4.06Å; F513-L517 HydrophobicContact CZ-CD1 3.75Å; F513-L517 HydrophobicContact CZ-CD2 4.2Å; F513-L517 HydrophobicContact CZ-CG 4.17Å; F513-L517 VanDerWaalsContact O-CG 3.3Å; F513-L517 WeakPolarHBondContact O-CG 3.33Å; F513-L517 PolarHBondContact O-N 2.84Å; F513-L531 HydrophobicContact CE1-CD1 4.21Å; F513-L531 HydrophobicContact CZ-CD1 4.45Å
514	S	88.7	Confident	88.3	Confident	43 Å²	43	57.3 Å²	57.3	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-61.1	-38	177	-170.8	0	0	0	0	113	M510 R511 L518 R528	M510-S514 WeakPolarHBondContact O-CB 3.38Å; M510-S514 PolarHBondContact O-N 2.85Å; R511-S514 PolarHBondContact O-N 2.77Å; S514-L518 WeakPolarHBondContact O-CB 3.36Å; S514-L518 PolarHBondContact O-N 2.8Å; S514-R528 PolarHBondContact OG-NH2 2.87Å
515	Q	88.8	Confident	88.3	Confident	83 Å²	83	58 Å²	58	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-67.9	-43.6	175.2	-74.7	176.6	-1.1	0	0	112.4	R511 R512 F513 L517 L518 K519	R511-Q515 WeakPolarHBondContact O-CB 3.25Å; R511-Q515 VanDerWaalsContact O-CG 3.3Å; R511-Q515 WeakPolarHBondContact O-CG 3.36Å; R511-Q515 PolarHBondContact O-N 2.92Å; R512-Q515 PolarHBondContact O-N 3.22Å; F513-Q515 VanDerWaalsContact C-N 3.32Å; F513-Q515 PolarHBondContact O-N 2.82Å; Q515-L517 VanDerWaalsContact C-N 3.3Å; Q515-L517 PolarHBondContact O-N 3.33Å; Q515-L518 PolarHBondContact O-N 3.02Å; Q515-L518 VanDerWaalsContact O-N 3.17Å; Q515-K519 WeakPolarHBondContact O-CG 3.25Å; Q515-K519 PolarHBondContact O-N 2.83Å
516	A	88	Confident	88.3	Confident	31 Å²	31	61.3 Å²	61.3	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-42.4	175.3	0	0	0	0	0	111	I469 R512 F513 L518 K519 G520	I469-A516 HydrophobicContact CG2-CB 3.47Å; I469-A516 VanDerWaalsContact CG2-CB 3.47Å; R512-A516 WeakPolarHBondContact O-CB 2.9Å; R512-A516 PolarHBondContact O-N 2.84Å; F513-A516 PolarHBondContact O-N 2.86Å; A516-L518 VanDerWaalsContact C-N 3.31Å; A516-L518 PolarHBondContact O-N 2.86Å; A516-K519 PolarHBondContact O-N 2.9Å; A516-G520 PolarHBondContact O-N 3.24Å
517	L	87.5	Confident	88.1	Confident	4 Å²	4	62 Å²	62	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-31.7	175.9	-66.8	-179.5	0	0	0	113.5	F513 Q515 V524 M527 R528 L531	F513-L517 HydrophobicContact CD1-CD1 4.12Å; F513-L517 HydrophobicContact CD2-CG 4.32Å; F513-L517 HydrophobicContact CE1-CD1 3.73Å; F513-L517 HydrophobicContact CE1-CG 4.5Å; F513-L517 HydrophobicContact CE2-CD1 4.15Å; F513-L517 HydrophobicContact CE2-CD2 4.04Å; F513-L517 HydrophobicContact CE2-CG 4.06Å; F513-L517 HydrophobicContact CZ-CD1 3.75Å; F513-L517 HydrophobicContact CZ-CD2 4.2Å; F513-L517 HydrophobicContact CZ-CG 4.17Å; F513-L517 VanDerWaalsContact O-CG 3.3Å; F513-L517 WeakPolarHBondContact O-CG 3.33Å; F513-L517 PolarHBondContact O-N 2.84Å; Q515-L517 VanDerWaalsContact C-N 3.3Å; Q515-L517 PolarHBondContact O-N 3.33Å; L517-V524 HydrophobicContact CB-CG1 4.25Å; L517-V524 HydrophobicContact CD2-CG1 3.36Å; L517-V524 HydrophobicContact CG-CG1 4.38Å; L517-M527 HydrophobicContact CD2-CE 3.42Å; L517-M527 VanDerWaalsContact CD2-CE 3.42Å; L517-R528 HydrophobicContact CB-CB 4Å; L517-R528 HydrophobicContact CB-CG 4.01Å; L517-R528 HydrophobicContact CD1-CB 4.25Å; L517-R528 HydrophobicContact CD1-CG 4.19Å; L517-L531 HydrophobicContact CD1-CD1 3.97Å
518	L	86.5	Confident	88.1	Confident	93 Å²	93	62.8 Å²	62.8	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-74.2	-42.7	177.4	175.7	62.7	0	0	0	112.2	S514 Q515 A516	S514-L518 WeakPolarHBondContact O-CB 3.36Å; S514-L518 PolarHBondContact O-N 2.8Å; Q515-L518 PolarHBondContact O-N 3.02Å; Q515-L518 VanDerWaalsContact O-N 3.17Å; A516-L518 VanDerWaalsContact C-N 3.31Å; A516-L518 PolarHBondContact O-N 2.86Å
519	K	85.9	Confident	88.1	Confident	132 Å²	132	65.4 Å²	65.4	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-76.8	-22.9	-178.9	-70.3	176.7	178.4	173.1	0	113.1	E415 Q515 A516	E415-K519 IonicContact OE1-NZ 2.7Å; E415-K519 PolarHBondContact OE1-NZ 2.83Å; E415-K519 IonicContact OE2-NZ 3.42Å; E415-K519 PolarHBondContact OE2-NZ 3.06Å; Q515-K519 WeakPolarHBondContact O-CG 3.25Å; Q515-K519 PolarHBondContact O-N 2.83Å; A516-K519 PolarHBondContact O-N 2.9Å
520	G	83.6	Confident	88	Confident	20 Å²	20	67.7 Å²	67.7	21%	0.206	34%	0.342	C	S	.	.	S	Bend	trans	-68.9	-180	-177.6	0	0	0	0	0	114.9	A516 R525	A516-G520 PolarHBondContact O-N 3.24Å; G520-R525 PolarHBondContact O-NH1 3.02Å
521	D	84.9	Confident	88	Confident	124 Å²	124	66.7 Å²	66.7	66%	0.663	34%	0.337	S	S	*	.			trans	-65.4	172.5	-177	-70	-34.4	0	0	0	114	S523 V524 R525	D521-S523 PolarHBondContact O-N 3.38Å; D521-V524 HydrophobicContact CB-CG2 4.5Å; D521-V524 WeakPolarHBondContact O-CB 3.43Å; D521-V524 PolarHBondContact O-N 3.45Å; D521-R525 PolarHBondContact O-N 2.96Å
522	K	87.1	Confident	88	Confident	160 Å²	160	62.3 Å²	62.3	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-53.3	-39.6	-179.1	-170.8	179.6	179.4	-177.5	0	112.5	R525 V526	K522-R525 PolarHBondContact O-N 3.02Å; K522-V526 VanDerWaalsContact O-CG2 3.3Å; K522-V526 WeakPolarHBondContact O-CG2 3.49Å; K522-V526 PolarHBondContact O-N 3.18Å
523	S	86.7	Confident	87.9	Confident	86 Å²	86	62.7 Å²	62.7	60%	0.601	34%	0.341	S	S	*	.	H	α-helix	trans	-61.1	-45.2	176.4	50.7	0	0	0	0	112.2	D521 V526 M527	D521-S523 PolarHBondContact O-N 3.38Å; S523-V526 PolarHBondContact O-N 2.95Å; S523-M527 PolarHBondContact O-N 2.95Å
524	V	87.1	Confident	87.9	Confident	12 Å²	12	62.4 Å²	62.4	7%	0.073	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-38.6	179.6	-169	0	0	0	0	111	C473 L517 D521 M527 R528	C473-V524 HydrophobicContact CB-CG1 4.37Å; L517-V524 HydrophobicContact CB-CG1 4.25Å; L517-V524 HydrophobicContact CD2-CG1 3.36Å; L517-V524 HydrophobicContact CG-CG1 4.38Å; D521-V524 HydrophobicContact CB-CG2 4.5Å; D521-V524 WeakPolarHBondContact O-CB 3.43Å; D521-V524 PolarHBondContact O-N 3.45Å; V524-M527 HydrophobicContact CG1-CE 4.07Å; V524-M527 WeakPolarHBondContact O-CB 3.11Å; V524-M527 PolarHBondContact O-N 3.47Å; V524-R528 PolarHBondContact O-N 3.46Å
525	R	87.6	Confident	87.9	Confident	123 Å²	123	63.2 Å²	63.2	46%	0.464	34%	0.339	S	S	.	.	H	α-helix	trans	-67	-37.6	174.3	-67.2	-168.1	-64.5	-99.2	7.6	112.7	G520 D521 K522 R528 S529	G520-R525 PolarHBondContact O-NH1 3.02Å; D521-R525 PolarHBondContact O-N 2.96Å; K522-R525 PolarHBondContact O-N 3.02Å; R525-R528 WeakPolarHBondContact O-CB 3.32Å; R525-R528 PolarHBondContact O-N 2.94Å; R525-S529 PolarHBondContact O-N 3.37Å; R525-S529 VanDerWaalsContact O-N 3.07Å; R525-S529 PolarHBondContact O-OG 2.77Å
526	V	88.9	Confident	87.9	Confident	73 Å²	73	62.3 Å²	62.3	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-43.7	172.6	170.1	0	0	0	0	110.4	K522 S523 R528 S529 L530	K522-V526 VanDerWaalsContact O-CG2 3.3Å; K522-V526 WeakPolarHBondContact O-CG2 3.49Å; K522-V526 PolarHBondContact O-N 3.18Å; S523-V526 PolarHBondContact O-N 2.95Å; V526-R528 VanDerWaalsContact C-N 3.31Å; V526-R528 PolarHBondContact O-N 2.93Å; V526-S529 WeakPolarHBondContact CA-OG 3.23Å; V526-S529 PolarHBondContact O-N 3.14Å; V526-S529 VanDerWaalsContact O-N 3.13Å; V526-S529 PolarHBondContact O-OG 2.8Å; V526-L530 HydrophobicContact CG1-CD1 4.2Å; V526-L530 HydrophobicContact CG1-CG 4.45Å; V526-L530 WeakPolarHBondContact O-CG 3.23Å; V526-L530 PolarHBondContact O-N 3.07Å
527	M	87.8	Confident	88	Confident	20 Å²	20	61.7 Å²	61.7	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-42.9	174.5	-178.1	167.6	73.2	0	0	111.9	A472 A476 A479 L517 S523 V524 S529 L530 L531	A472-M527 WeakPolarHBondContact O-CE 3.45Å; A476-M527 VanDerWaalsContact CA-SD 3.54Å; A476-M527 HydrophobicContact CB-SD 3.96Å; A479-M527 HydrophobicContact CB-CE 3.67Å; A479-M527 HydrophobicContact CB-CG 4.21Å; A479-M527 HydrophobicContact CB-SD 3.36Å; A479-M527 WeakPolarHBondContact CB-SD 3.44Å; L517-M527 HydrophobicContact CD2-CE 3.42Å; L517-M527 VanDerWaalsContact CD2-CE 3.42Å; S523-M527 PolarHBondContact O-N 2.95Å; V524-M527 HydrophobicContact CG1-CE 4.07Å; V524-M527 WeakPolarHBondContact O-CB 3.11Å; V524-M527 PolarHBondContact O-N 3.47Å; M527-S529 PolarHBondContact O-N 2.8Å; M527-L530 PolarHBondContact O-N 2.73Å; M527-L530 VanDerWaalsContact O-N 3.17Å; M527-L531 HydrophobicContact CG-CD1 4.44Å; M527-L531 WeakPolarHBondContact O-CG 3.37Å; M527-L531 PolarHBondContact O-N 2.8Å
528	R	89.1	Confident	88.1	Confident	86 Å²	86	63.3 Å²	63.3	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-57.5	-45.7	173.1	-165.7	-177.7	179.5	-145	1.9	112.7	S514 L517 V524 R525 V526 L530 L531 A532	S514-R528 PolarHBondContact OG-NH2 2.87Å; L517-R528 HydrophobicContact CB-CB 4Å; L517-R528 HydrophobicContact CB-CG 4.01Å; L517-R528 HydrophobicContact CD1-CB 4.25Å; L517-R528 HydrophobicContact CD1-CG 4.19Å; V524-R528 PolarHBondContact O-N 3.46Å; R525-R528 WeakPolarHBondContact O-CB 3.32Å; R525-R528 PolarHBondContact O-N 2.94Å; V526-R528 VanDerWaalsContact C-N 3.31Å; V526-R528 PolarHBondContact O-N 2.93Å; R528-L530 VanDerWaalsContact C-N 3.31Å; R528-L530 PolarHBondContact O-N 3.49Å; R528-L531 PolarHBondContact O-N 2.84Å; R528-A532 WeakPolarHBondContact O-CB 3.41Å; R528-A532 PolarHBondContact O-N 3.03Å
529	S	88.8	Confident	88.1	Confident	68 Å²	68	62 Å²	62	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-36.5	177	52.2	0	0	0	0	112.3	R525 V526 M527 A532 A533	R525-S529 PolarHBondContact O-N 3.37Å; R525-S529 VanDerWaalsContact O-N 3.07Å; R525-S529 PolarHBondContact O-OG 2.77Å; V526-S529 WeakPolarHBondContact CA-OG 3.23Å; V526-S529 PolarHBondContact O-N 3.14Å; V526-S529 VanDerWaalsContact O-N 3.13Å; V526-S529 PolarHBondContact O-OG 2.8Å; M527-S529 PolarHBondContact O-N 2.8Å; S529-A532 PolarHBondContact O-N 2.96Å; S529-A533 WeakPolarHBondContact O-CB 3.5Å; S529-A533 PolarHBondContact O-N 3.44Å
530	L	89.2	Confident	88.2	Confident	54 Å²	54	60 Å²	60	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-44.1	176	-69.3	173	0	0	0	111.5	V526 M527 R528 A532 A533 Q534 P581	V526-L530 HydrophobicContact CG1-CD1 4.2Å; V526-L530 HydrophobicContact CG1-CG 4.45Å; V526-L530 WeakPolarHBondContact O-CG 3.23Å; V526-L530 PolarHBondContact O-N 3.07Å; M527-L530 PolarHBondContact O-N 2.73Å; M527-L530 VanDerWaalsContact O-N 3.17Å; R528-L530 VanDerWaalsContact C-N 3.31Å; R528-L530 PolarHBondContact O-N 3.49Å; L530-A532 PolarHBondContact O-N 2.71Å; L530-A533 PolarHBondContact O-N 2.97Å; L530-Q534 VanDerWaalsContact O-CB 3.28Å; L530-Q534 WeakPolarHBondContact O-CB 3.41Å; L530-Q534 PolarHBondContact O-N 3.02Å; L530-P581 HydrophobicContact CD1-CG 4.44Å
531	L	90.1	Very high	88.4	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-41.8	175.7	-66.7	172.7	0	0	0	111.8	N480 Y483 F513 L517 M527 R528 Q534 Q535	N480-L531 HydrophobicContact CB-CD2 4.36Å; Y483-L531 HydrophobicContact CD1-CD2 4.28Å; Y483-L531 HydrophobicContact CD2-CD1 4.17Å; Y483-L531 HydrophobicContact CG-CD1 4.21Å; Y483-L531 HydrophobicContact CG-CD2 4.16Å; F513-L531 HydrophobicContact CE1-CD1 4.21Å; F513-L531 HydrophobicContact CZ-CD1 4.45Å; L517-L531 HydrophobicContact CD1-CD1 3.97Å; M527-L531 HydrophobicContact CG-CD1 4.44Å; M527-L531 WeakPolarHBondContact O-CG 3.37Å; M527-L531 PolarHBondContact O-N 2.8Å; R528-L531 PolarHBondContact O-N 2.84Å; L531-Q534 WeakPolarHBondContact O-CB 3.36Å; L531-Q534 PolarHBondContact O-N 2.96Å; L531-Q535 PolarHBondContact O-N 2.81Å
532	A	89.8	Confident	88.5	Confident	47 Å²	47	59 Å²	59	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.4	0	0	0	0	0	112.4	R528 S529 L530 Q534 Q535 T536	R528-A532 WeakPolarHBondContact O-CB 3.41Å; R528-A532 PolarHBondContact O-N 3.03Å; S529-A532 PolarHBondContact O-N 2.96Å; L530-A532 PolarHBondContact O-N 2.71Å; A532-Q534 VanDerWaalsContact C-N 3.32Å; A532-Q535 PolarHBondContact O-N 2.85Å; A532-T536 WeakPolarHBondContact O-CB 3.32Å; A532-T536 PolarHBondContact O-N 2.91Å; A532-T536 PolarHBondContact O-OG1 3.49Å
533	A	89.2	Confident	88.5	Confident	42 Å²	42	57.6 Å²	57.6	35%	0.347	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-40.5	174.2	0	0	0	0	0	111.3	S529 L530 T536 F537 I580	S529-A533 WeakPolarHBondContact O-CB 3.5Å; S529-A533 PolarHBondContact O-N 3.44Å; L530-A533 PolarHBondContact O-N 2.97Å; A533-T536 PolarHBondContact O-N 2.85Å; A533-F537 WeakPolarHBondContact O-CB 3.33Å; A533-F537 PolarHBondContact O-N 3.14Å; A533-I580 HydrophobicContact CB-CG2 3.83Å
534	Q	90.8	Very high	88.5	Confident	1 Å²	1	54 Å²	54	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-42.2	176.8	-163.6	-170.1	35.7	0	0	112.3	N480 W484 L530 L531 A532 F537 V538 P581 P583	N480-Q534 PolarHBondContact OD1-NE2 2.83Å; N480-Q534 PolarHBondContact OD1-OE1 2.95Å; N480-Q534 VanDerWaalsContact OD1-OE1 3.08Å; W484-Q534 HydrophobicContact CZ2-CB 4.46Å; W484-Q534 HydrophobicContact CZ2-CG 3.89Å; W484-Q534 VanDerWaalsContact NE1-CD 3.26Å; L530-Q534 VanDerWaalsContact O-CB 3.28Å; L530-Q534 WeakPolarHBondContact O-CB 3.41Å; L530-Q534 PolarHBondContact O-N 3.02Å; L531-Q534 WeakPolarHBondContact O-CB 3.36Å; L531-Q534 PolarHBondContact O-N 2.96Å; A532-Q534 VanDerWaalsContact C-N 3.32Å; Q534-F537 WeakPolarHBondContact O-CB 3.15Å; Q534-F537 PolarHBondContact O-N 2.65Å; Q534-V538 WeakPolarHBondContact O-CG2 3.33Å; Q534-V538 PolarHBondContact O-N 3.25Å; Q534-P581 PolarHBondContact NE2-O 3.28Å; Q534-P583 HydrophobicContact CG-CG 3.76Å; Q534-P583 VanDerWaalsContact NE2-CD 3.34Å
535	Q	89.5	Confident	88.6	Confident	60 Å²	60	56.9 Å²	56.9	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-61.4	-47.6	172.3	-176.5	-178.2	0.9	0	0	111	Y483 I487 L531 A532 F537 V538 D539	Y483-Q535 HydrophobicContact CE1-CB 4.4Å; Y483-Q535 PolarHBondContact OH-OE1 3.32Å; I487-Q535 HydrophobicContact CD1-CG 4.41Å; L531-Q535 PolarHBondContact O-N 2.81Å; A532-Q535 PolarHBondContact O-N 2.85Å; Q535-F537 PolarHBondContact O-N 3.18Å; Q535-V538 PolarHBondContact O-N 3.4Å; Q535-V538 VanDerWaalsContact O-N 3.1Å; Q535-D539 WeakPolarHBondContact O-CB 3.11Å; Q535-D539 PolarHBondContact O-N 2.92Å
536	T	88.9	Confident	88.5	Confident	64 Å²	64	56.6 Å²	56.6	39%	0.393	30%	0.301	S	S	.	.	H	α-helix	trans	-57.6	-39.3	177.5	-55.8	0	0	0	0	111.4	A532 A533 R540	A532-T536 WeakPolarHBondContact O-CB 3.32Å; A532-T536 PolarHBondContact O-N 2.91Å; A532-T536 PolarHBondContact O-OG1 3.49Å; A533-T536 PolarHBondContact O-N 2.85Å; T536-R540 WeakPolarHBondContact O-CB 3.33Å; T536-R540 VanDerWaalsContact O-CG 3.26Å; T536-R540 WeakPolarHBondContact O-CG 3.44Å; T536-R540 PolarHBondContact O-N 3.42Å
537	F	88.4	Confident	88.4	Confident	17 Å²	17	55.2 Å²	55.2	8%	0.075	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-47.8	175	173.2	-102.7	0	0	0	112.2	A533 Q534 Q535 R540 L541 L574 I577 I580 I590 I593	A533-F537 WeakPolarHBondContact O-CB 3.33Å; A533-F537 PolarHBondContact O-N 3.14Å; Q534-F537 WeakPolarHBondContact O-CB 3.15Å; Q534-F537 PolarHBondContact O-N 2.65Å; Q535-F537 PolarHBondContact O-N 3.18Å; F537-R540 PolarHBondContact O-N 2.86Å; F537-L541 HydrophobicContact CD1-CD1 4.06Å; F537-L541 HydrophobicContact CE1-CD1 3.51Å; F537-L541 HydrophobicContact CE1-CG 4.44Å; F537-L541 HydrophobicContact CE2-CD1 4.44Å; F537-L541 HydrophobicContact CZ-CD1 3.74Å; F537-L541 HydrophobicContact CZ-CG 4.39Å; F537-L541 WeakPolarHBondContact O-CG 3.45Å; F537-L541 PolarHBondContact O-N 3.4Å; F537-L574 HydrophobicContact CD2-CD2 3.53Å; F537-L574 HydrophobicContact CE2-CD2 3.77Å; F537-I577 HydrophobicContact CD2-CD1 3.39Å; F537-I577 HydrophobicContact CE2-CD1 3.45Å; F537-I577 VanDerWaalsContact CE2-CD1 3.45Å; F537-I580 HydrophobicContact CB-CD1 3.58Å; F537-I580 HydrophobicContact CD1-CD1 3.74Å; F537-I580 HydrophobicContact CD2-CD1 3.9Å; F537-I580 HydrophobicContact CE1-CD1 4.36Å; F537-I580 HydrophobicContact CG-CD1 3.46Å; F537-I580 VanDerWaalsContact CG-CD1 3.46Å; F537-I590 HydrophobicContact CD1-CD1 4.44Å; F537-I590 HydrophobicContact CE1-CD1 3.75Å; F537-I590 HydrophobicContact CZ-CD1 4.08Å; F537-I590 HydrophobicContact CZ-CG2 4.32Å; F537-I593 HydrophobicContact CE2-CD1 3.94Å; F537-I593 HydrophobicContact CE2-CG1 4.34Å; F537-I593 HydrophobicContact CZ-CD1 3.94Å; F537-I593 HydrophobicContact CZ-CG1 4.34Å
538	V	89.3	Confident	88.3	Confident	39 Å²	39	54.4 Å²	54.4	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-41.8	177.9	174.3	0	0	0	0	111.5	W484 Q534 Q535 R540 L541 V542 P583	W484-V538 HydrophobicContact CH2-CB 3.79Å; W484-V538 HydrophobicContact CH2-CG1 4.09Å; W484-V538 HydrophobicContact CH2-CG2 3.55Å; W484-V538 HydrophobicContact CZ2-CG2 3.95Å; W484-V538 HydrophobicContact CZ3-CG1 4.34Å; W484-V538 HydrophobicContact CZ3-CG2 4.42Å; Q534-V538 WeakPolarHBondContact O-CG2 3.33Å; Q534-V538 PolarHBondContact O-N 3.25Å; Q535-V538 PolarHBondContact O-N 3.4Å; Q535-V538 VanDerWaalsContact O-N 3.1Å; V538-R540 VanDerWaalsContact C-N 3.32Å; V538-R540 PolarHBondContact O-N 3.32Å; V538-L541 WeakPolarHBondContact O-CB 3.02Å; V538-L541 PolarHBondContact O-N 3.07Å; V538-L541 VanDerWaalsContact O-N 3.11Å; V538-V542 HydrophobicContact CG1-CG2 4.4Å; V538-V542 WeakPolarHBondContact O-CG2 3.34Å; V538-V542 PolarHBondContact O-N 3Å; V538-P583 HydrophobicContact CG2-CG 4.23Å
539	D	87.9	Confident	88.2	Confident	65 Å²	65	56.6 Å²	56.6	35%	0.348	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-42.4	176.7	-73.7	-23.9	0	0	0	111.7	Q535 V542 Q543	Q535-D539 WeakPolarHBondContact O-CB 3.11Å; Q535-D539 PolarHBondContact O-N 2.92Å; D539-V542 PolarHBondContact O-N 3.43Å; D539-Q543 WeakPolarHBondContact O-CB 3.27Å; D539-Q543 VanDerWaalsContact O-CG 3.28Å; D539-Q543 WeakPolarHBondContact O-CG 3.03Å; D539-Q543 PolarHBondContact O-N 2.98Å
540	R	87.1	Confident	88	Confident	91 Å²	91	63.6 Å²	63.6	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-41.6	174.1	-74.2	175.7	-175	-173	8.6	111.9	T536 F537 V538 Q543 L544 V572 N573 L574	T536-R540 WeakPolarHBondContact O-CB 3.33Å; T536-R540 VanDerWaalsContact O-CG 3.26Å; T536-R540 WeakPolarHBondContact O-CG 3.44Å; T536-R540 PolarHBondContact O-N 3.42Å; F537-R540 PolarHBondContact O-N 2.86Å; V538-R540 VanDerWaalsContact C-N 3.32Å; V538-R540 PolarHBondContact O-N 3.32Å; R540-Q543 PolarHBondContact O-N 3.21Å; R540-L544 WeakPolarHBondContact O-CB 3.29Å; R540-L544 PolarHBondContact O-N 3.21Å; R540-V572 PolarHBondContact NH1-O 3.32Å; R540-N573 PolarHBondContact NH1-O 3.43Å; R540-L574 HydrophobicContact CB-CD2 4.25Å
541	L	87.8	Confident	87.7	Confident	55 Å²	55	63.3 Å²	63.3	29%	0.288	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-43.2	174.4	-74.2	175.8	0	0	0	111.9	F537 V538 L544 M545 L574 I593	F537-L541 HydrophobicContact CD1-CD1 4.06Å; F537-L541 HydrophobicContact CE1-CD1 3.51Å; F537-L541 HydrophobicContact CE1-CG 4.44Å; F537-L541 HydrophobicContact CE2-CD1 4.44Å; F537-L541 HydrophobicContact CZ-CD1 3.74Å; F537-L541 HydrophobicContact CZ-CG 4.39Å; F537-L541 WeakPolarHBondContact O-CG 3.45Å; F537-L541 PolarHBondContact O-N 3.4Å; V538-L541 WeakPolarHBondContact O-CB 3.02Å; V538-L541 PolarHBondContact O-N 3.07Å; V538-L541 VanDerWaalsContact O-N 3.11Å; L541-L544 PolarHBondContact O-N 3.35Å; L541-M545 WeakPolarHBondContact O-CB 3.49Å; L541-M545 WeakPolarHBondContact O-CG 3.29Å; L541-M545 PolarHBondContact O-N 3.42Å; L541-L574 HydrophobicContact CD2-CD1 3.92Å; L541-L574 HydrophobicContact CG-CD1 4.48Å; L541-I593 HydrophobicContact CD2-CD1 3.75Å
542	V	87.9	Confident	87	Confident	66 Å²	66	67.6 Å²	67.6	40%	0.4	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-43.9	177.1	172.1	0	0	0	0	111	V538 D539 M545 K546	V538-V542 HydrophobicContact CG1-CG2 4.4Å; V538-V542 WeakPolarHBondContact O-CG2 3.34Å; V538-V542 PolarHBondContact O-N 3Å; D539-V542 PolarHBondContact O-N 3.43Å; V542-M545 PolarHBondContact O-N 3.23Å; V542-K546 HydrophobicContact CG1-CD 4.18Å; V542-K546 WeakPolarHBondContact O-CB 3.37Å; V542-K546 WeakPolarHBondContact O-CG 3.35Å; V542-K546 PolarHBondContact O-N 2.91Å
543	Q	86.8	Confident	86.4	Confident	132 Å²	132	67.3 Å²	67.3	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-61.8	-43.9	175.8	-72.6	174.5	15.3	0	0	111.9	D539 R540 K546 A547	D539-Q543 WeakPolarHBondContact O-CB 3.27Å; D539-Q543 VanDerWaalsContact O-CG 3.28Å; D539-Q543 WeakPolarHBondContact O-CG 3.03Å; D539-Q543 PolarHBondContact O-N 2.98Å; R540-Q543 PolarHBondContact O-N 3.21Å; Q543-K546 PolarHBondContact O-N 2.98Å; Q543-A547 PolarHBondContact O-N 2.87Å
544	L	87.4	Confident	86	Confident	11 Å²	11	71.7 Å²	71.7	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-47.6	175.6	-171.8	152.6	0	0	0	110.6	R540 L541 K546 A547 V548 L562 L565 L566 V572	R540-L544 WeakPolarHBondContact O-CB 3.29Å; R540-L544 PolarHBondContact O-N 3.21Å; L541-L544 PolarHBondContact O-N 3.35Å; L544-K546 PolarHBondContact O-N 3.35Å; L544-A547 WeakPolarHBondContact O-CB 3.47Å; L544-A547 PolarHBondContact O-N 2.98Å; L544-A547 VanDerWaalsContact O-N 3.12Å; L544-V548 HydrophobicContact CD2-CG2 3.94Å; L544-V548 WeakPolarHBondContact O-CG2 3.28Å; L544-V548 PolarHBondContact O-N 2.94Å; L544-L562 HydrophobicContact CD2-CD1 3.19Å; L544-L565 HydrophobicContact CD1-CB 4.21Å; L544-L565 HydrophobicContact CG-CB 4.4Å; L544-L566 HydrophobicContact CD1-CD2 3.6Å; L544-L566 HydrophobicContact CD1-CG 3.94Å; L544-V572 HydrophobicContact CD1-CG1 3.86Å; L544-V572 HydrophobicContact CD1-CG2 4.33Å
545	M	87.6	Confident	85.7	Confident	72 Å²	72	78.1 Å²	78.1	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-64.3	-38.2	178.9	-74.1	-56.7	-60.9	0	0	112.4	L541 V542 A547 V548 Q549 L600	L541-M545 WeakPolarHBondContact O-CB 3.49Å; L541-M545 WeakPolarHBondContact O-CG 3.29Å; L541-M545 PolarHBondContact O-N 3.42Å; V542-M545 PolarHBondContact O-N 3.23Å; M545-A547 VanDerWaalsContact C-N 3.32Å; M545-A547 PolarHBondContact O-N 3.16Å; M545-V548 PolarHBondContact O-N 3.48Å; M545-Q549 WeakPolarHBondContact O-CB 2.99Å; M545-Q549 VanDerWaalsContact O-CG 3.28Å; M545-Q549 WeakPolarHBondContact O-CG 3.18Å; M545-Q549 PolarHBondContact O-N 3.38Å; M545-L600 HydrophobicContact CE-CD2 3.86Å; M545-L600 HydrophobicContact SD-CD2 4.33Å
546	K	87.4	Confident	85.5	Confident	117 Å²	117	82.6 Å²	82.6	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-38.7	172.1	-75.8	175.9	179.3	176.6	0	111.6	V542 Q543 L544 Q549 R550	V542-K546 HydrophobicContact CG1-CD 4.18Å; V542-K546 WeakPolarHBondContact O-CB 3.37Å; V542-K546 WeakPolarHBondContact O-CG 3.35Å; V542-K546 PolarHBondContact O-N 2.91Å; Q543-K546 PolarHBondContact O-N 2.98Å; L544-K546 PolarHBondContact O-N 3.35Å; K546-Q549 PolarHBondContact O-N 2.96Å; K546-R550 WeakPolarHBondContact O-CG 3.49Å; K546-R550 PolarHBondContact O-N 3.5Å; K546-R550 VanDerWaalsContact O-N 3.14Å
547	A	85.7	Confident	85.3	Confident	43 Å²	43	84.6 Å²	84.6	36%	0.355	42%	0.416	S	S	.	.	H	α-helix	trans	-65.9	-43.6	175.5	0	0	0	0	0	112.1	Q543 L544 M545 Q549 R550 E551 L565	Q543-A547 PolarHBondContact O-N 2.87Å; L544-A547 WeakPolarHBondContact O-CB 3.47Å; L544-A547 PolarHBondContact O-N 2.98Å; L544-A547 VanDerWaalsContact O-N 3.12Å; M545-A547 VanDerWaalsContact C-N 3.32Å; M545-A547 PolarHBondContact O-N 3.16Å; A547-Q549 VanDerWaalsContact C-N 3.34Å; A547-Q549 PolarHBondContact O-N 2.72Å; A547-R550 PolarHBondContact O-N 3.46Å; A547-E551 PolarHBondContact O-N 3.46Å; A547-L565 HydrophobicContact CB-CD1 4.32Å
548	V	86.8	Confident	85.2	Confident	3 Å²	3	86.3 Å²	86.3	2%	0.018	42%	0.424	C	S	.	.	H	α-helix	trans	-66.4	-34.9	175.6	175.7	0	0	0	0	111.8	L544 M545 E551 K558 L562 L565 L600	L544-V548 HydrophobicContact CD2-CG2 3.94Å; L544-V548 WeakPolarHBondContact O-CG2 3.28Å; L544-V548 PolarHBondContact O-N 2.94Å; M545-V548 PolarHBondContact O-N 3.48Å; V548-E551 PolarHBondContact O-N 3.45Å; V548-K558 HydrophobicContact CG1-CB 4.15Å; V548-L562 HydrophobicContact CG2-CB 4.08Å; V548-L562 HydrophobicContact CG2-CD1 4.41Å; V548-L565 HydrophobicContact CG2-CD1 3.96Å; V548-L600 HydrophobicContact CG1-CD1 4.05Å
549	Q	85.4	Confident	85.1	Confident	133 Å²	133	85.3 Å²	85.3	62%	0.621	42%	0.417	S	S	*	.	H	α-helix	trans	-65.1	-40.4	175.9	-80.7	178.9	-8.5	0	0	112.5	M545 K546 A547 E551 K558	M545-Q549 WeakPolarHBondContact O-CB 2.99Å; M545-Q549 VanDerWaalsContact O-CG 3.28Å; M545-Q549 WeakPolarHBondContact O-CG 3.18Å; M545-Q549 PolarHBondContact O-N 3.38Å; K546-Q549 PolarHBondContact O-N 2.96Å; A547-Q549 VanDerWaalsContact C-N 3.34Å; A547-Q549 PolarHBondContact O-N 2.72Å; Q549-E551 PolarHBondContact O-N 2.89Å; Q549-K558 PolarHBondContact O-NZ 3.47Å
550	R	85.6	Confident	85.1	Confident	214 Å²	214	87 Å²	87	81%	0.808	42%	0.423	S	S	*	.	H	α-helix	trans	-64.8	-21.4	177	-71.9	174.7	-168.4	176.3	3.5	113.4	K546 A547 S552	K546-R550 WeakPolarHBondContact O-CG 3.49Å; K546-R550 PolarHBondContact O-N 3.5Å; K546-R550 VanDerWaalsContact O-N 3.14Å; A547-R550 PolarHBondContact O-N 3.46Å; R550-S552 PolarHBondContact O-N 2.97Å
551	E	82.7	Confident	85	Confident	48 Å²	48	87.6 Å²	87.6	22%	0.224	43%	0.426	C	S	.	.	S	Bend	trans	-73.3	126.5	179.1	-167.4	150.2	154.9	0	0	111.8	A547 V548 Q549 K558 R561	A547-E551 PolarHBondContact O-N 3.46Å; V548-E551 PolarHBondContact O-N 3.45Å; Q549-E551 PolarHBondContact O-N 2.89Å; E551-K558 WeakPolarHBondContact O-CE 3.38Å; E551-K558 PolarHBondContact O-NZ 3.37Å; E551-R561 WeakPolarHBondContact OE2-CD 3.28Å; E551-R561 WeakPolarHBondContact OE2-CG 3.38Å; E551-R561 IonicContact OE2-NE 3.32Å; E551-R561 PolarHBondContact OE2-NE 2.93Å
552	S	74.5	Confident	85	Confident	99 Å²	99	85.5 Å²	85.5	69%	0.692	42%	0.415	S	S	*	.			trans	-82.8	122.9	175	60.5	0	0	0	0	110.7	R550	R550-S552 PolarHBondContact O-N 2.97Å
553	G	78.6	Confident	85	Confident	42 Å²	42	85.2 Å²	85.2	43%	0.433	41%	0.409	S	S	.	.	S	Bend	trans	164.3	172	176.8	0	0	0	0	0	114.4	K558	G553-K558 WeakPolarHBondContact O-CE 3.21Å
554	N	80.9	Confident	85	Confident	134 Å²	134	81.4 Å²	81.4	72%	0.717	40%	0.4	S	S	*	.			trans	-70.7	159.9	174.9	-158.1	-6	0	0	0	110.9	K556 K557 K558	N554-K556 PolarHBondContact O-N 3.34Å; N554-K556 VanDerWaalsContact O-N 3.09Å; N554-K557 WeakPolarHBondContact O-CB 3.39Å; N554-K557 PolarHBondContact O-N 2.96Å; N554-K558 PolarHBondContact O-N 2.85Å
555	R	83.4	Confident	84.9	Confident	136 Å²	136	81.9 Å²	81.9	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-48.9	-44	-174	-173.6	-179.8	75	112.2	0.1	112.8	K557 K558 T559 L600	R555-K557 VanDerWaalsContact C-N 3.34Å; R555-K557 PolarHBondContact O-N 3.25Å; R555-K558 PolarHBondContact O-N 2.99Å; R555-K558 VanDerWaalsContact O-N 3.16Å; R555-T559 PolarHBondContact O-N 3.44Å; R555-T559 PolarHBondContact O-OG1 3.25Å; R555-L600 PolarHBondContact NH1-O 3.3Å; R555-L600 VanDerWaalsContact NH1-O 3.15Å
556	K	84.6	Confident	84.7	Confident	153 Å²	153	78.9 Å²	78.9	67%	0.665	39%	0.388	S	S	*	.	H	α-helix	trans	-56.1	-46.9	179.8	-168.5	-179.2	177.7	-174.2	0	112.1	N554 K558 T559 E560	N554-K556 PolarHBondContact O-N 3.34Å; N554-K556 VanDerWaalsContact O-N 3.09Å; K556-K558 PolarHBondContact O-N 2.88Å; K556-T559 PolarHBondContact O-N 3.48Å; K556-E560 VanDerWaalsContact CE-OE1 3.26Å; K556-E560 WeakPolarHBondContact CE-OE1 3.45Å; K556-E560 WeakPolarHBondContact O-CG 3.26Å; K556-E560 PolarHBondContact O-N 2.99Å
557	K	85.5	Confident	84.4	Confident	107 Å²	107	76.4 Å²	76.4	47%	0.465	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-38.9	178	-169	178.3	179.3	-174.6	0	112	N554 R555 E560 R561	N554-K557 WeakPolarHBondContact O-CB 3.39Å; N554-K557 PolarHBondContact O-N 2.96Å; R555-K557 VanDerWaalsContact C-N 3.34Å; R555-K557 PolarHBondContact O-N 3.25Å; K557-E560 PolarHBondContact O-N 3.38Å; K557-R561 WeakPolarHBondContact O-CB 3.24Å; K557-R561 PolarHBondContact O-N 2.93Å
558	K	86.8	Confident	84.1	Confident	53 Å²	53	76.9 Å²	76.9	23%	0.23	39%	0.385	C	S	.	.	H	α-helix	trans	-67	-36.6	174.5	-64.9	-164.9	179	-136.9	0	112.5	V548 Q549 E551 G553 N554 R555 K556 R561 L562 L600	V548-K558 HydrophobicContact CG1-CB 4.15Å; Q549-K558 PolarHBondContact O-NZ 3.47Å; E551-K558 WeakPolarHBondContact O-CE 3.38Å; E551-K558 PolarHBondContact O-NZ 3.37Å; G553-K558 WeakPolarHBondContact O-CE 3.21Å; N554-K558 PolarHBondContact O-N 2.85Å; R555-K558 PolarHBondContact O-N 2.99Å; R555-K558 VanDerWaalsContact O-N 3.16Å; K556-K558 PolarHBondContact O-N 2.88Å; K558-R561 PolarHBondContact O-N 3.23Å; K558-L562 WeakPolarHBondContact O-CB 3.44Å; K558-L562 PolarHBondContact O-N 3.24Å; K558-L600 HydrophobicContact CB-CD1 3.62Å
559	T	87.6	Confident	83	Confident	17 Å²	17	80.6 Å²	80.6	10%	0.104	41%	0.405	C	S	.	.	H	α-helix	trans	-67.5	-46.3	174.4	-53.5	0	0	0	0	111	R555 K556 R561 L562 Q563	R555-T559 PolarHBondContact O-N 3.44Å; R555-T559 PolarHBondContact O-OG1 3.25Å; K556-T559 PolarHBondContact O-N 3.48Å; T559-R561 VanDerWaalsContact C-N 3.26Å; T559-R561 PolarHBondContact O-N 3.43Å; T559-L562 WeakPolarHBondContact O-CB 3.34Å; T559-L562 PolarHBondContact O-N 3.36Å; T559-L562 VanDerWaalsContact O-N 3.14Å; T559-Q563 HydrophobicContact CG2-CG 4.48Å; T559-Q563 VanDerWaalsContact O-CG 3.32Å; T559-Q563 WeakPolarHBondContact O-CG 3.48Å; T559-Q563 PolarHBondContact O-N 3.45Å
560	E	87.4	Confident	81.8	Confident	100 Å²	100	83.1 Å²	83.1	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-58	-40.6	175.3	-73	164.9	-174.9	0	0	111.2	K556 K557 Q563 A564	K556-E560 VanDerWaalsContact CE-OE1 3.26Å; K556-E560 WeakPolarHBondContact CE-OE1 3.45Å; K556-E560 WeakPolarHBondContact O-CG 3.26Å; K556-E560 PolarHBondContact O-N 2.99Å; K557-E560 PolarHBondContact O-N 3.38Å; E560-Q563 PolarHBondContact O-N 2.84Å; E560-A564 WeakPolarHBondContact O-CB 3.41Å; E560-A564 PolarHBondContact O-N 2.92Å
561	R	85.5	Confident	80.6	Confident	105 Å²	105	80.8 Å²	80.8	40%	0.396	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-46.8	173.6	-175.3	68.5	163.3	143.1	1.4	113	E551 K557 K558 T559 Q563 A564 L565	E551-R561 WeakPolarHBondContact OE2-CD 3.28Å; E551-R561 WeakPolarHBondContact OE2-CG 3.38Å; E551-R561 IonicContact OE2-NE 3.32Å; E551-R561 PolarHBondContact OE2-NE 2.93Å; K557-R561 WeakPolarHBondContact O-CB 3.24Å; K557-R561 PolarHBondContact O-N 2.93Å; K558-R561 PolarHBondContact O-N 3.23Å; T559-R561 VanDerWaalsContact C-N 3.26Å; T559-R561 PolarHBondContact O-N 3.43Å; R561-Q563 VanDerWaalsContact C-N 3.3Å; R561-Q563 PolarHBondContact O-N 3.26Å; R561-A564 PolarHBondContact O-N 3.06Å; R561-L565 HydrophobicContact CG-CD1 3.96Å; R561-L565 HydrophobicContact CG-CG 4.29Å; R561-L565 WeakPolarHBondContact O-CB 3.39Å; R561-L565 WeakPolarHBondContact O-CG 3.35Å; R561-L565 PolarHBondContact O-N 2.85Å
562	L	87.1	Confident	79.6	Confident	11 Å²	11	79.4 Å²	79.4	6%	0.058	41%	0.407	C	S	.	.	H	α-helix	trans	-55.1	-48.5	176.5	166.5	63.7	0	0	0	110.4	L544 V548 K558 T559 L565 L566 A598 L600	L544-L562 HydrophobicContact CD2-CD1 3.19Å; V548-L562 HydrophobicContact CG2-CB 4.08Å; V548-L562 HydrophobicContact CG2-CD1 4.41Å; K558-L562 WeakPolarHBondContact O-CB 3.44Å; K558-L562 PolarHBondContact O-N 3.24Å; T559-L562 WeakPolarHBondContact O-CB 3.34Å; T559-L562 PolarHBondContact O-N 3.36Å; T559-L562 VanDerWaalsContact O-N 3.14Å; L562-L565 PolarHBondContact O-N 3.24Å; L562-L566 HydrophobicContact CD1-CD1 3.73Å; L562-L566 HydrophobicContact CD1-CG 4.11Å; L562-L566 HydrophobicContact CG-CD1 4.03Å; L562-L566 WeakPolarHBondContact O-CB 3.42Å; L562-L566 WeakPolarHBondContact O-CG 2.88Å; L562-L566 PolarHBondContact O-N 3.31Å; L562-A598 HydrophobicContact CD2-CB 4.24Å; L562-A598 HydrophobicContact CG-CB 4.41Å; L562-L600 HydrophobicContact CD2-CD2 3.79Å; L562-L600 HydrophobicContact CD2-CG 3.86Å
563	Q	88.3	Confident	79.2	Confident	59 Å²	59	78.4 Å²	78.4	28%	0.276	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-42.6	178.8	-65.1	-178	-20	0	0	111.8	T559 E560 R561 L565 L566 A567 P595 E596 A598	T559-Q563 HydrophobicContact CG2-CG 4.48Å; T559-Q563 VanDerWaalsContact O-CG 3.32Å; T559-Q563 WeakPolarHBondContact O-CG 3.48Å; T559-Q563 PolarHBondContact O-N 3.45Å; E560-Q563 PolarHBondContact O-N 2.84Å; R561-Q563 VanDerWaalsContact C-N 3.3Å; R561-Q563 PolarHBondContact O-N 3.26Å; Q563-L565 PolarHBondContact O-N 3.01Å; Q563-L566 PolarHBondContact O-N 3.2Å; Q563-A567 WeakPolarHBondContact O-CB 3.38Å; Q563-A567 PolarHBondContact O-N 3.46Å; Q563-P595 WeakPolarHBondContact CG-O 3.49Å; Q563-E596 PolarHBondContact NE2-O 3.49Å; Q563-A598 PolarHBondContact NE2-O 3.47Å; Q563-A598 VanDerWaalsContact NE2-O 3.13Å
564	A	86.2	Confident	78.9	Confident	52 Å²	52	76.5 Å²	76.5	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.2	0	0	0	0	0	112.7	E560 R561 A567 D568	E560-A564 WeakPolarHBondContact O-CB 3.41Å; E560-A564 PolarHBondContact O-N 2.92Å; R561-A564 PolarHBondContact O-N 3.06Å; A564-A567 PolarHBondContact O-N 3.43Å; A564-D568 PolarHBondContact O-N 3.2Å; A564-D568 VanDerWaalsContact O-N 3.14Å
565	L	84.6	Confident	78.4	Confident	22 Å²	22	71.8 Å²	71.8	12%	0.115	35%	0.352	C	S	.	.	H	α-helix	trans	-70.4	-32.7	176.7	-71.5	174.6	0	0	0	112.6	L544 A547 V548 R561 L562 Q563 V572	L544-L565 HydrophobicContact CD1-CB 4.21Å; L544-L565 HydrophobicContact CG-CB 4.4Å; A547-L565 HydrophobicContact CB-CD1 4.32Å; V548-L565 HydrophobicContact CG2-CD1 3.96Å; R561-L565 HydrophobicContact CG-CD1 3.96Å; R561-L565 HydrophobicContact CG-CG 4.29Å; R561-L565 WeakPolarHBondContact O-CB 3.39Å; R561-L565 WeakPolarHBondContact O-CG 3.35Å; R561-L565 PolarHBondContact O-N 2.85Å; L562-L565 PolarHBondContact O-N 3.24Å; Q563-L565 PolarHBondContact O-N 3.01Å; L565-V572 WeakPolarHBondContact O-CG2 3.47Å
566	L	83.8	Confident	77.8	Confident	9 Å²	9	71.6 Å²	71.6	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-73.8	-28.6	174.2	-74.8	170.8	0	0	0	112.7	L544 L562 Q563 L574 S575 I593 P595 A598	L544-L566 HydrophobicContact CD1-CD2 3.6Å; L544-L566 HydrophobicContact CD1-CG 3.94Å; L562-L566 HydrophobicContact CD1-CD1 3.73Å; L562-L566 HydrophobicContact CD1-CG 4.11Å; L562-L566 HydrophobicContact CG-CD1 4.03Å; L562-L566 WeakPolarHBondContact O-CB 3.42Å; L562-L566 WeakPolarHBondContact O-CG 2.88Å; L562-L566 PolarHBondContact O-N 3.31Å; Q563-L566 PolarHBondContact O-N 3.2Å; L566-L574 HydrophobicContact CD2-CD1 4.1Å; L566-S575 PolarHBondContact O-OG 3.35Å; L566-I593 HydrophobicContact CD1-CG2 4.18Å; L566-I593 HydrophobicContact CD2-CD1 4.37Å; L566-I593 HydrophobicContact CD2-CG2 4.24Å; L566-P595 HydrophobicContact CB-CB 3.83Å; L566-P595 HydrophobicContact CB-CG 4.05Å; L566-A598 HydrophobicContact CD1-CB 3.55Å
567	A	81.2	Confident	77.6	Confident	64 Å²	64	66.2 Å²	66.2	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-79.6	-19.6	175.2	0	0	0	0	0	113.2	Q563 A564 N569 P595	Q563-A567 WeakPolarHBondContact O-CB 3.38Å; Q563-A567 PolarHBondContact O-N 3.46Å; A564-A567 PolarHBondContact O-N 3.43Å; A567-N569 PolarHBondContact O-N 3.04Å; A567-N569 VanDerWaalsContact O-N 3.08Å; A567-P595 HydrophobicContact CB-CB 4.43Å; A567-P595 HydrophobicContact CB-CG 4.47Å
568	D	79.2	Confident	77.3	Confident	53 Å²	53	68.8 Å²	68.8	28%	0.283	35%	0.353	S	S	.	.			trans	-76.7	91	176.2	-172.1	-3.9	0	0	0	110.7	A564 E570 K571	A564-D568 PolarHBondContact O-N 3.2Å; A564-D568 VanDerWaalsContact O-N 3.14Å; D568-E570 PolarHBondContact O-N 2.96Å; D568-E570 PolarHBondContact OD1-N 3.4Å; D568-K571 PolarHBondContact O-N 2.82Å
569	N	64.4	Low	77.2	Confident	82 Å²	82	68.7 Å²	68.7	44%	0.439	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.7	-175.5	-152.3	15.9	0	0	0	113.3	A567 N573	A567-N569 PolarHBondContact O-N 3.04Å; A567-N569 VanDerWaalsContact O-N 3.08Å; N569-N573 PolarHBondContact OD1-OD1 3.14Å
570	E	60.8	Low	77.3	Confident	185 Å²	185	68 Å²	68	86%	0.864	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-28.1	-179.8	-69.7	-165.3	156.7	0	0	113	D568	D568-E570 PolarHBondContact O-N 2.96Å; D568-E570 PolarHBondContact OD1-N 3.4Å
571	K	59	Low	77.3	Confident	166 Å²	166	64.4 Å²	64.4	72%	0.722	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-29.6	-172.8	-73.6	-177.6	-177.6	165.1	0	115.1	D568	D568-K571 PolarHBondContact O-N 2.82Å
572	V	61.5	Low	77.4	Confident	18 Å²	18	61.7 Å²	61.7	11%	0.109	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-30.5	-169.7	-155.1	0	0	0	0	112.3	R540 L544 L565 L574	R540-V572 PolarHBondContact NH1-O 3.32Å; L544-V572 HydrophobicContact CD1-CG1 3.86Å; L544-V572 HydrophobicContact CD1-CG2 4.33Å; L565-V572 WeakPolarHBondContact O-CG2 3.47Å; V572-L574 VanDerWaalsContact C-N 3.34Å; V572-L574 HydrophobicContact CB-CD1 4.47Å; V572-L574 HydrophobicContact CB-CG 4.37Å; V572-L574 HydrophobicContact CG1-CD1 3.37Å; V572-L574 HydrophobicContact CG1-CG 3.63Å; V572-L574 WeakPolarHBondContact O-CG 3.17Å; V572-L574 PolarHBondContact O-N 2.8Å
573	N	67.6	Low	77.4	Confident	79 Å²	79	62.4 Å²	62.4	42%	0.422	34%	0.337	S	S	.	.			trans	45.3	55.4	175.2	-158.8	-3.4	0	0	0	112.2	R540 N569	R540-N573 PolarHBondContact NH1-O 3.43Å; N569-N573 PolarHBondContact OD1-OD1 3.14Å
574	L	72.4	Confident	77.4	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	36%	0.358	C	S	.	.			trans	-114.1	-4.3	-179	-63.6	178.5	0	0	0	113.6	F537 R540 L541 L566 V572 I577 G592 I593	F537-L574 HydrophobicContact CD2-CD2 3.53Å; F537-L574 HydrophobicContact CE2-CD2 3.77Å; R540-L574 HydrophobicContact CB-CD2 4.25Å; L541-L574 HydrophobicContact CD2-CD1 3.92Å; L541-L574 HydrophobicContact CG-CD1 4.48Å; L566-L574 HydrophobicContact CD2-CD1 4.1Å; V572-L574 VanDerWaalsContact C-N 3.34Å; V572-L574 HydrophobicContact CB-CD1 4.47Å; V572-L574 HydrophobicContact CB-CG 4.37Å; V572-L574 HydrophobicContact CG1-CD1 3.37Å; V572-L574 HydrophobicContact CG1-CG 3.63Å; V572-L574 WeakPolarHBondContact O-CG 3.17Å; V572-L574 PolarHBondContact O-N 2.8Å; L574-I577 HydrophobicContact CB-CD1 4.27Å; L574-I577 HydrophobicContact CD2-CD1 3.76Å; L574-G592 CarbonylContact O-C 3.55Å; L574-G592 WeakPolarHBondContact O-CA 3.48Å; L574-I593 HydrophobicContact CB-CD1 4.18Å; L574-I593 HydrophobicContact CD1-CD1 4.08Å; L574-I593 PolarHBondContact O-N 2.79Å
575	S	69.1	Low	77.5	Confident	34 Å²	34	68.8 Å²	68.8	24%	0.238	36%	0.361	C	S	.	.	S	Bend	trans	-79	-38.1	-177.4	-50.1	0	0	0	0	112.1	L566 G592	L566-S575 PolarHBondContact O-OG 3.35Å; S575-G592 WeakPolarHBondContact O-CA 3.35Å
576	D	71.5	Confident	77.6	Confident	133 Å²	133	68.7 Å²	68.7	71%	0.711	36%	0.362	S	S	*	.	S	Bend	trans	-131.4	98.3	176.6	-73.5	-43.8	0	0	0	109.8
577	I	80.4	Confident	77.7	Confident	39 Å²	39	75.7 Å²	75.7	20%	0.2	40%	0.395	C	S	.	.			trans	-113	146.9	-178.3	-43.2	179.1	0	0	0	108.5	F537 L574 R591	F537-I577 HydrophobicContact CD2-CD1 3.39Å; F537-I577 HydrophobicContact CE2-CD1 3.45Å; F537-I577 VanDerWaalsContact CE2-CD1 3.45Å; L574-I577 HydrophobicContact CB-CD1 4.27Å; L574-I577 HydrophobicContact CD2-CD1 3.76Å; I577-R591 PolarHBondContact N-O 2.88Å; I577-R591 VanDerWaalsContact O-O 3.11Å
578	E	79.3	Confident	78.1	Confident	162 Å²	162	76.6 Å²	76.6	76%	0.757	39%	0.39	S	S	*	.			trans	-54.1	136.9	165.9	-169.8	172.5	-172.1	0	0	109.7	I580	E578-I580 WeakPolarHBondContact O-CG2 3.41Å; E578-I580 PolarHBondContact O-N 3.11Å
579	P	84.6	Confident	78.5	Confident	50 Å²	50	82.7 Å²	82.7	33%	0.325	41%	0.409	S	S	.	.			trans	-57.8	106.6	-172.2	-26.7	34.7	0	0	0	113.4	R589 I590 R591	P579-R589 HydrophobicContact CB-CB 4.32Å; P579-I590 WeakPolarHBondContact CA-O 3.27Å; P579-R591 HydrophobicContact CG-CG 4.4Å
580	I	88.4	Confident	79.7	Confident	4 Å²	4	80 Å²	80	2%	0.021	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.8	177.8	57.7	175.5	0	0	0	111.1	A533 F537 E578 R589 I590	A533-I580 HydrophobicContact CB-CG2 3.83Å; F537-I580 HydrophobicContact CB-CD1 3.58Å; F537-I580 HydrophobicContact CD1-CD1 3.74Å; F537-I580 HydrophobicContact CD2-CD1 3.9Å; F537-I580 HydrophobicContact CE1-CD1 4.36Å; F537-I580 HydrophobicContact CG-CD1 3.46Å; F537-I580 VanDerWaalsContact CG-CD1 3.46Å; E578-I580 WeakPolarHBondContact O-CG2 3.41Å; E578-I580 PolarHBondContact O-N 3.11Å; I580-R589 CarbonylContact O-C 3.59Å; I580-R589 VanDerWaalsContact O-CA 3.31Å; I580-R589 WeakPolarHBondContact O-CA 3.46Å; I580-I590 HydrophobicContact CD1-CD1 4.31Å; I580-I590 HydrophobicContact CG1-CB 3.91Å; I580-I590 HydrophobicContact CG1-CD1 4.28Å; I580-I590 HydrophobicContact CG1-CG1 4.43Å; I580-I590 PolarHBondContact N-O 3.38Å; I580-I590 VanDerWaalsContact N-O 3.13Å; I580-I590 PolarHBondContact O-N 3.02Å
581	P	88.3	Confident	80.9	Confident	23 Å²	23	80.5 Å²	80.5	15%	0.149	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	140.4	170.1	-19.2	31.4	0	0	0	111.5	L530 Q534 P586	L530-P581 HydrophobicContact CD1-CG 4.44Å; Q534-P581 PolarHBondContact NE2-O 3.28Å; P581-P586 HydrophobicContact CB-CB 4.45Å
582	L	88.1	Confident	82.1	Confident	49 Å²	49	74 Å²	74	26%	0.257	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.1	130	173	179.3	71.2	0	0	0	109.7	L584 E585 I588 I590	L582-L584 PolarHBondContact O-N 3.17Å; L582-L584 VanDerWaalsContact O-N 3.17Å; L582-E585 WeakPolarHBondContact CB-O 3.29Å; L582-E585 HydrophobicContact CD2-CB 4.23Å; L582-E585 CarbonylContact O-C 3.56Å; L582-E585 PolarHBondContact O-N 2.98Å; L582-I588 HydrophobicContact CB-CB 4.35Å; L582-I588 HydrophobicContact CD2-CB 4.43Å; L582-I588 PolarHBondContact N-O 3.42Å; L582-I590 HydrophobicContact CB-CD1 4.3Å; L582-I590 HydrophobicContact CB-CG1 4.14Å; L582-I590 HydrophobicContact CD1-CD1 3.63Å; L582-I590 HydrophobicContact CD1-CG1 4.05Å
583	P	87.1	Confident	83.3	Confident	26 Å²	26	75.1 Å²	75.1	17%	0.169	37%	0.373	C	S	.	.	S	Bend	trans	-54	-36.1	-179.2	-29.3	33.9	0	0	0	115.1	N480 W484 Q534 V538	N480-P583 PolarHBondContact ND2-O 3.46Å; W484-P583 HydrophobicContact CD2-CB 4.42Å; W484-P583 HydrophobicContact CZ2-CB 4.35Å; W484-P583 HydrophobicContact CZ2-CG 4.08Å; Q534-P583 HydrophobicContact CG-CG 3.76Å; Q534-P583 VanDerWaalsContact NE2-CD 3.34Å; V538-P583 HydrophobicContact CG2-CG 4.23Å
584	L	87.8	Confident	84.3	Confident	137 Å²	137	75.5 Å²	75.5	72%	0.717	38%	0.378	S	S	*	.	S	Bend	trans	-81.8	-34.6	-178	-66.6	170	0	0	0	112.8	Y481 L582	Y481-L584 WeakPolarHBondContact CE1-O 3.31Å; Y481-L584 PolarHBondContact OH-O 3.45Å; L582-L584 PolarHBondContact O-N 3.17Å; L582-L584 VanDerWaalsContact O-N 3.17Å
585	E	88.5	Confident	84.8	Confident	107 Å²	107	76.7 Å²	76.7	50%	0.5	39%	0.386	S	S	.	.			trans	-137.9	92.6	180	-69.3	-176.9	-152.5	0	0	110	L582 Q587 I588	L582-E585 WeakPolarHBondContact CB-O 3.29Å; L582-E585 HydrophobicContact CD2-CB 4.23Å; L582-E585 CarbonylContact O-C 3.56Å; L582-E585 PolarHBondContact O-N 2.98Å; E585-Q587 PolarHBondContact O-N 3.41Å; E585-I588 HydrophobicContact CB-CD1 4.24Å; E585-I588 HydrophobicContact CB-CG1 4.31Å; E585-I588 PolarHBondContact O-N 3.25Å; E585-I588 WeakPolarHBondContact OE2-CD1 3.35Å
586	P	86.6	Confident	85.6	Confident	21 Å²	21	83 Å²	83	14%	0.136	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.1	-173.8	-25.8	36.4	0	0	0	114.6	T477 N480 Y481 P581 I588	T477-P586 HydrophobicContact CG2-CB 3.87Å; T477-P586 HydrophobicContact CG2-CG 3.83Å; N480-P586 HydrophobicContact CB-CB 4.25Å; N480-P586 HydrophobicContact CB-CG 3.73Å; N480-P586 WeakPolarHBondContact ND2-CG 3.46Å; Y481-P586 HydrophobicContact CE2-CG 4.01Å; Y481-P586 VanDerWaalsContact OH-CD 3.26Å; Y481-P586 WeakPolarHBondContact OH-CD 3.42Å; P581-P586 HydrophobicContact CB-CB 4.45Å; P586-I588 VanDerWaalsContact C-N 3.26Å; P586-I588 PolarHBondContact O-N 3.07Å
587	Q	86	Confident	86.4	Confident	156 Å²	156	81.7 Å²	81.7	73%	0.729	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.5	174.9	-58.1	-64.6	-9.3	0	0	112.2	E585	E585-Q587 PolarHBondContact O-N 3.41Å
588	I	90.1	Very high	86.7	Confident	83 Å²	83	80.7 Å²	80.7	43%	0.426	41%	0.406	S	S	.	.	S	Bend	trans	-93.7	133.9	179.5	-58.5	-179.2	0	0	0	109.4	L582 E585 P586	L582-I588 HydrophobicContact CB-CB 4.35Å; L582-I588 HydrophobicContact CD2-CB 4.43Å; L582-I588 PolarHBondContact N-O 3.42Å; E585-I588 HydrophobicContact CB-CD1 4.24Å; E585-I588 HydrophobicContact CB-CG1 4.31Å; E585-I588 PolarHBondContact O-N 3.25Å; E585-I588 WeakPolarHBondContact OE2-CD1 3.35Å; P586-I588 VanDerWaalsContact C-N 3.26Å; P586-I588 PolarHBondContact O-N 3.07Å
589	R	88.1	Confident	87.2	Confident	181 Å²	181	77.7 Å²	77.7	68%	0.683	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.9	177	-63.5	-173.2	-178.8	-173	0.2	111.7	P579 I580	P579-R589 HydrophobicContact CB-CB 4.32Å; I580-R589 CarbonylContact O-C 3.59Å; I580-R589 VanDerWaalsContact O-CA 3.31Å; I580-R589 WeakPolarHBondContact O-CA 3.46Å
590	I	88.1	Confident	87.3	Confident	26 Å²	26	76.7 Å²	76.7	13%	0.133	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126	173.9	-49	174.3	0	0	0	108.3	F537 P579 I580 L582	F537-I590 HydrophobicContact CD1-CD1 4.44Å; F537-I590 HydrophobicContact CE1-CD1 3.75Å; F537-I590 HydrophobicContact CZ-CD1 4.08Å; F537-I590 HydrophobicContact CZ-CG2 4.32Å; P579-I590 WeakPolarHBondContact CA-O 3.27Å; I580-I590 HydrophobicContact CD1-CD1 4.31Å; I580-I590 HydrophobicContact CG1-CB 3.91Å; I580-I590 HydrophobicContact CG1-CD1 4.28Å; I580-I590 HydrophobicContact CG1-CG1 4.43Å; I580-I590 PolarHBondContact N-O 3.38Å; I580-I590 VanDerWaalsContact N-O 3.13Å; I580-I590 PolarHBondContact O-N 3.02Å; L582-I590 HydrophobicContact CB-CD1 4.3Å; L582-I590 HydrophobicContact CB-CG1 4.14Å; L582-I590 HydrophobicContact CD1-CD1 3.63Å; L582-I590 HydrophobicContact CD1-CG1 4.05Å
591	R	86.4	Confident	87	Confident	195 Å²	195	85.9 Å²	85.9	74%	0.736	43%	0.431	S	S	*	.			trans	-100.1	-20.6	172.3	-66.9	-172.7	177.7	-177.1	-0.7	113.3	I577 P579	I577-R591 PolarHBondContact N-O 2.88Å; I577-R591 VanDerWaalsContact O-O 3.11Å; P579-R591 HydrophobicContact CG-CG 4.4Å
592	G	84.9	Confident	86.6	Confident	30 Å²	30	91.6 Å²	91.6	31%	0.309	45%	0.453	S	S	.	.			trans	165.1	175.5	-176.5	0	0	0	0	0	111.7	L574 S575	L574-G592 CarbonylContact O-C 3.55Å; L574-G592 WeakPolarHBondContact O-CA 3.48Å; S575-G592 WeakPolarHBondContact O-CA 3.35Å
593	I	85.6	Confident	85.7	Confident	41 Å²	41	95.1 Å²	95.1	21%	0.21	48%	0.477	C	S	.	.			trans	-112.9	128.6	178.1	-59.2	176.8	0	0	0	108.6	F537 L541 L566 L574 P595	F537-I593 HydrophobicContact CE2-CD1 3.94Å; F537-I593 HydrophobicContact CE2-CG1 4.34Å; F537-I593 HydrophobicContact CZ-CD1 3.94Å; F537-I593 HydrophobicContact CZ-CG1 4.34Å; L541-I593 HydrophobicContact CD2-CD1 3.75Å; L566-I593 HydrophobicContact CD1-CG2 4.18Å; L566-I593 HydrophobicContact CD2-CD1 4.37Å; L566-I593 HydrophobicContact CD2-CG2 4.24Å; L574-I593 HydrophobicContact CB-CD1 4.18Å; L574-I593 HydrophobicContact CD1-CD1 4.08Å; L574-I593 PolarHBondContact O-N 2.79Å; I593-P595 VanDerWaalsContact O-CD 3.23Å; I593-P595 WeakPolarHBondContact O-CD 3.38Å
594	V	88.1	Confident	83.9	Confident	86 Å²	86	102 Å²	102	52%	0.521	50%	0.504	S	S	.	.			trans	-84.1	107.9	174.6	-179	0	0	0	0	109	E596 T597	V594-E596 VanDerWaalsContact C-N 3.32Å; V594-E596 PolarHBondContact O-N 3.29Å; V594-T597 HydrophobicContact CB-CG2 4.38Å; V594-T597 HydrophobicContact CG1-CG2 3.93Å; V594-T597 PolarHBondContact O-N 2.93Å; V594-T597 PolarHBondContact O-OG1 3.25Å
595	P	84.5	Confident	81.8	Confident	27 Å²	27	110.3 Å²	110.3	18%	0.175	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-59	-40.8	-171.3	-25.5	36.5	0	0	0	113.2	Q563 L566 A567 I593 T597 A598	Q563-P595 WeakPolarHBondContact CG-O 3.49Å; L566-P595 HydrophobicContact CB-CB 3.83Å; L566-P595 HydrophobicContact CB-CG 4.05Å; A567-P595 HydrophobicContact CB-CB 4.43Å; A567-P595 HydrophobicContact CB-CG 4.47Å; I593-P595 VanDerWaalsContact O-CD 3.23Å; I593-P595 WeakPolarHBondContact O-CD 3.38Å; P595-T597 PolarHBondContact O-N 3.12Å; P595-A598 WeakPolarHBondContact O-CB 3.48Å; P595-A598 PolarHBondContact O-N 3.3Å; P595-A598 VanDerWaalsContact O-N 3.08Å
596	E	85.3	Confident	81.4	Confident	168 Å²	168	110.5 Å²	110.5	79%	0.785	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-61.7	-28.8	-175.3	-60.4	178.9	179.1	0	0	113.5	Q563 V594	Q563-E596 PolarHBondContact NE2-O 3.49Å; V594-E596 VanDerWaalsContact C-N 3.32Å; V594-E596 PolarHBondContact O-N 3.29Å
597	T	88.7	Confident	81.1	Confident	104 Å²	104	115.2 Å²	115.2	64%	0.638	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-88.9	-10.5	-178.7	65.5	0	0	0	0	113.1	V594 P595 T599	V594-T597 HydrophobicContact CB-CG2 4.38Å; V594-T597 HydrophobicContact CG1-CG2 3.93Å; V594-T597 PolarHBondContact O-N 2.93Å; V594-T597 PolarHBondContact O-OG1 3.25Å; P595-T597 PolarHBondContact O-N 3.12Å; T597-T599 PolarHBondContact O-N 3.35Å
598	A	87.3	Confident	80.9	Confident	18 Å²	18	112.9 Å²	112.9	15%	0.149	54%	0.538	C	S	.	.			trans	-70.3	128.9	-178.1	0	0	0	0	0	110.9	L562 Q563 L566 P595	L562-A598 HydrophobicContact CD2-CB 4.24Å; L562-A598 HydrophobicContact CG-CB 4.41Å; Q563-A598 PolarHBondContact NE2-O 3.47Å; Q563-A598 VanDerWaalsContact NE2-O 3.13Å; L566-A598 HydrophobicContact CD1-CB 3.55Å; P595-A598 WeakPolarHBondContact O-CB 3.48Å; P595-A598 PolarHBondContact O-N 3.3Å; P595-A598 VanDerWaalsContact O-N 3.08Å
599	T	88.7	Confident	80.3	Confident	99 Å²	99	114.7 Å²	114.7	61%	0.607	55%	0.545	S	S	*	.			trans	-136.1	155	179.7	61	0	0	0	0	111.7	T597	T597-T599 PolarHBondContact O-N 3.35Å
600	L	86.4	Confident	79.9	Confident	29 Å²	29	110.6 Å²	110.6	15%	0.152	54%	0.536	C	S	.	.			trans	-99.8	129.1	175.4	-67.5	172	0	0	0	110.6	M545 V548 R555 K558 L562	M545-L600 HydrophobicContact CE-CD2 3.86Å; M545-L600 HydrophobicContact SD-CD2 4.33Å; V548-L600 HydrophobicContact CG1-CD1 4.05Å; R555-L600 PolarHBondContact NH1-O 3.3Å; R555-L600 VanDerWaalsContact NH1-O 3.15Å; K558-L600 HydrophobicContact CB-CD1 3.62Å; L562-L600 HydrophobicContact CD2-CD2 3.79Å; L562-L600 HydrophobicContact CD2-CG 3.86Å
601	F	83.4	Confident	79.3	Confident	198 Å²	198	116.2 Å²	116.2	87%	0.868	56%	0.563	S	S	*	*			trans	-62	142.8	174.3	-77.3	-79.8	0	0	0	111.6	V603	F601-V603 PolarHBondContact O-N 3.12Å
602	K	78.3	Confident	78.8	Confident	142 Å²	142	110.6 Å²	110.6	62%	0.617	55%	0.55	S	S	*	*			trans	-81.9	107.9	168.1	-174.5	-178.8	178.9	-175.8	0	107.5	F604	K602-F604 HydrophobicContact CD-CZ 4.41Å; K602-F604 PolarHBondContact O-N 3.17Å
603	V	70.1	Confident	78.3	Confident	123 Å²	123	116.8 Å²	116.8	75%	0.745	57%	0.569	S	S	*	*			trans	-70.2	112.2	170.7	-176	0	0	0	0	107.2	F601 R605	F601-V603 PolarHBondContact O-N 3.12Å; V603-R605 PolarHBondContact O-N 2.92Å
604	F	49.4	Very low	77.7	Confident	172 Å²	172	123.1 Å²	123.1	75%	0.754	60%	0.599	S	S	*	*			trans	-72.8	112.1	163.3	-68.5	-87.6	0	0	0	106	K602	K602-F604 HydrophobicContact CD-CZ 4.41Å; K602-F604 PolarHBondContact O-N 3.17Å
605	R	42.5	Very low	76.8	Confident	311 Å²	311	126.5 Å²	126.5	100%	1.174	61%	0.606	S	S	*	*			trans	-81.8	0	164.3	-97.1	-170.4	178.5	179.7	-0.9	109	V603	V603-R605 PolarHBondContact O-N 2.92Å

Retrieved 605 of 605 residues in 738.3 ms (Link to these results)

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