A0A087YKR1_POEFO Loading...

SH3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YKR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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	K	30.2	Very low	32.5	Very low	226 Å²	226	132 Å²	132	98%	0.983	60%	0.604	S	S	*	*				0	-53	0	-75.4	-174.4	-179.6	175.9	0	112.8	T4 K5	K1-T4 WeakPolarHBondContact CA-OG1 3.2Å; K1-T4 PolarHBondContact N-OG1 2.72Å; K1-T4 WeakPolarHBondContact O-CB 3.38Å; K1-T4 PolarHBondContact O-N 2.69Å; K1-T4 PolarHBondContact O-OG1 3.15Å; K1-K5 PolarHBondContact O-N 3.36Å
2	L	30.2	Very low	32.8	Very low	149 Å²	149	129.2 Å²	129.2	78%	0.78	60%	0.603	S	S	*	*	H	α-helix	trans	-62.8	-53.4	176.7	-76.8	167.1	0	0	0	112.7	T4 K5 S6	L2-T4 PolarHBondContact O-N 3.21Å; L2-T4 VanDerWaalsContact O-N 3.15Å; L2-K5 WeakPolarHBondContact O-CA 3.36Å; L2-K5 WeakPolarHBondContact O-CB 3.38Å; L2-K5 PolarHBondContact O-N 3.1Å; L2-S6 PolarHBondContact O-N 3.21Å
3	L	29.6	Very low	32.8	Very low	107 Å²	107	123.5 Å²	123.5	56%	0.56	59%	0.592	S	S	*	*	H	α-helix	trans	-44.5	-46.4	168.9	-78.2	156.3	0	0	0	112.6	K5 S6 R7	L3-K5 PolarHBondContact O-N 2.67Å; L3-S6 PolarHBondContact O-N 2.92Å; L3-R7 WeakPolarHBondContact O-CB 3.19Å; L3-R7 WeakPolarHBondContact O-CG 3.4Å; L3-R7 PolarHBondContact O-N 3.14Å
4	T	31.9	Very low	32.9	Very low	84 Å²	84	120.3 Å²	120.3	52%	0.515	57%	0.574	S	S	.	*	H	α-helix	trans	-63.7	-24.2	178.7	-25.5	0	0	0	0	113.7	K1 L2 R8	K1-T4 WeakPolarHBondContact CA-OG1 3.2Å; K1-T4 PolarHBondContact N-OG1 2.72Å; K1-T4 WeakPolarHBondContact O-CB 3.38Å; K1-T4 PolarHBondContact O-N 2.69Å; K1-T4 PolarHBondContact O-OG1 3.15Å; L2-T4 PolarHBondContact O-N 3.21Å; L2-T4 VanDerWaalsContact O-N 3.15Å; T4-R8 WeakPolarHBondContact O-CG 3.34Å
5	K	33.8	Very low	33.1	Very low	153 Å²	153	125 Å²	125	67%	0.665	59%	0.591	S	S	*	*	H	α-helix	trans	-86.6	-39.4	175.9	-139.8	178.3	-176.3	-173.5	0	110.7	K1 L2 L3 R8 K9	K1-K5 PolarHBondContact O-N 3.36Å; L2-K5 WeakPolarHBondContact O-CA 3.36Å; L2-K5 WeakPolarHBondContact O-CB 3.38Å; L2-K5 PolarHBondContact O-N 3.1Å; L3-K5 PolarHBondContact O-N 2.67Å; K5-R8 PolarHBondContact O-N 3.47Å; K5-K9 PolarHBondContact O-N 3.01Å
6	S	34.7	Very low	33.4	Very low	63 Å²	63	125.6 Å²	125.6	44%	0.441	60%	0.597	S	S	.	*	H	α-helix	trans	-63.6	-48.3	172.4	-57.5	0	0	0	0	112	L2 L3 R8 K9 Y10	L2-S6 PolarHBondContact O-N 3.21Å; L3-S6 PolarHBondContact O-N 2.92Å; S6-R8 PolarHBondContact O-N 3.41Å; S6-R8 VanDerWaalsContact O-N 3.12Å; S6-K9 PolarHBondContact O-N 3.43Å; S6-Y10 PolarHBondContact O-N 3.01Å
7	R	33.3	Very low	33.6	Very low	87 Å²	87	125.5 Å²	125.5	33%	0.328	60%	0.6	S	S	.	*	H	α-helix	trans	-58.4	-26.1	175	-68.4	-177.6	-172.5	-179.7	8.8	113	L3 K11 E131 E135	L3-R7 WeakPolarHBondContact O-CB 3.19Å; L3-R7 WeakPolarHBondContact O-CG 3.4Å; L3-R7 PolarHBondContact O-N 3.14Å; R7-K11 WeakPolarHBondContact O-CB 3.49Å; R7-K11 VanDerWaalsContact O-CG 3.31Å; R7-K11 WeakPolarHBondContact O-CG 3.49Å; R7-K11 PolarHBondContact O-N 3.27Å; R7-K11 VanDerWaalsContact O-N 3.16Å; R7-E131 IonicContact CZ-OE2 2.7Å; R7-E131 IonicContact NE-OE2 3.68Å; R7-E131 IonicContact NH2-OE1 2.82Å; R7-E131 PolarHBondContact NH2-OE1 2.89Å; R7-E131 IonicContact NH2-OE2 3.21Å; R7-E131 PolarHBondContact NH2-OE2 3.21Å; R7-E135 WeakPolarHBondContact CD-OE1 3.45Å; R7-E135 IonicContact CZ-OE1 3.77Å; R7-E135 IonicContact NE-OE1 2.68Å; R7-E135 IonicContact NH1-OE1 3.65Å; R7-E135 PolarHBondContact NH1-OE1 2.79Å
8	R	32.7	Very low	33.6	Very low	190 Å²	190	130.4 Å²	130.4	72%	0.717	62%	0.619	S	S	*	*	H	α-helix	trans	-77.2	-41.2	170.2	-76.7	-177.4	179.1	-167.7	0	113.4	T4 K5 S6 V12	T4-R8 WeakPolarHBondContact O-CG 3.34Å; K5-R8 PolarHBondContact O-N 3.47Å; S6-R8 PolarHBondContact O-N 3.41Å; S6-R8 VanDerWaalsContact O-N 3.12Å; R8-V12 WeakPolarHBondContact O-CG2 3.34Å; R8-V12 PolarHBondContact O-N 3.44Å
9	K	37.9	Very low	33.9	Very low	133 Å²	133	127.3 Å²	127.3	58%	0.578	61%	0.612	S	S	*	*	H	α-helix	trans	-59.1	-49	171.9	-73.4	-172.2	174.5	-173.4	0	110.6	K5 S6 K11 V12 A13 S396	K5-K9 PolarHBondContact O-N 3.01Å; S6-K9 PolarHBondContact O-N 3.43Å; K9-K11 PolarHBondContact O-N 3.46Å; K9-V12 PolarHBondContact O-N 3.25Å; K9-A13 PolarHBondContact O-N 2.91Å; K9-S396 PolarHBondContact NZ-O 2.92Å
10	Y	31.7	Very low	34.7	Very low	137 Å²	137	128.6 Å²	128.6	54%	0.537	62%	0.615	S	S	.	*	H	α-helix	trans	-58.2	-48.5	177.5	-93.9	-99.9	0	0	0	112.5	S6 V12 A13 K14 L132	S6-Y10 PolarHBondContact O-N 3.01Å; Y10-V12 PolarHBondContact O-N 2.99Å; Y10-V12 VanDerWaalsContact O-N 3.17Å; Y10-A13 PolarHBondContact O-N 2.87Å; Y10-A13 VanDerWaalsContact O-N 3.15Å; Y10-K14 VanDerWaalsContact O-CB 3.28Å; Y10-K14 WeakPolarHBondContact O-CB 3.44Å; Y10-K14 PolarHBondContact O-N 3.06Å; Y10-L132 HydrophobicContact CD1-CD1 4.4Å; Y10-L132 HydrophobicContact CE1-CD2 4.27Å
11	K	31.5	Very low	36.2	Very low	123 Å²	123	125.7 Å²	125.7	54%	0.535	60%	0.601	S	S	.	*	H	α-helix	trans	-65.2	-18.7	179.1	-73.5	177.7	-176.6	176.3	0	114.2	R7 K9 E135	R7-K11 WeakPolarHBondContact O-CB 3.49Å; R7-K11 VanDerWaalsContact O-CG 3.31Å; R7-K11 WeakPolarHBondContact O-CG 3.49Å; R7-K11 PolarHBondContact O-N 3.27Å; R7-K11 VanDerWaalsContact O-N 3.16Å; K9-K11 PolarHBondContact O-N 3.46Å; K11-E135 WeakPolarHBondContact CE-OE2 3.25Å; K11-E135 IonicContact NZ-OE2 3.53Å; K11-E135 PolarHBondContact NZ-OE2 2.96Å
12	V	35.8	Very low	38.6	Very low	98 Å²	98	118 Å²	118	59%	0.594	57%	0.572	S	S	*	*	H	α-helix	trans	-82.7	-46.6	169.9	174.1	0	0	0	0	111.1	R8 K9 Y10 K14 K15	R8-V12 WeakPolarHBondContact O-CG2 3.34Å; R8-V12 PolarHBondContact O-N 3.44Å; K9-V12 PolarHBondContact O-N 3.25Å; Y10-V12 PolarHBondContact O-N 2.99Å; Y10-V12 VanDerWaalsContact O-N 3.17Å; V12-K14 PolarHBondContact O-N 3.38Å; V12-K15 PolarHBondContact O-N 3.49Å
13	A	33.5	Very low	41.3	Very low	56 Å²	56	111.5 Å²	111.5	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-60.5	-43.8	176.5	0	0	0	0	0	112.4	K9 Y10 K15 I16 L17	K9-A13 PolarHBondContact O-N 2.91Å; Y10-A13 PolarHBondContact O-N 2.87Å; Y10-A13 VanDerWaalsContact O-N 3.15Å; A13-K15 PolarHBondContact O-N 3Å; A13-I16 WeakPolarHBondContact O-CA 3.48Å; A13-I16 WeakPolarHBondContact O-CB 3.37Å; A13-I16 PolarHBondContact O-N 2.81Å; A13-L17 PolarHBondContact O-N 3.17Å
14	K	34	Very low	44.1	Very low	78 Å²	78	109.5 Å²	109.5	34%	0.339	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.9	178.5	-168.5	162.8	-170.2	150.1	0	114	Y10 V12 I16 E21 D136	Y10-K14 VanDerWaalsContact O-CB 3.28Å; Y10-K14 WeakPolarHBondContact O-CB 3.44Å; Y10-K14 PolarHBondContact O-N 3.06Å; V12-K14 PolarHBondContact O-N 3.38Å; K14-I16 VanDerWaalsContact C-N 3.28Å; K14-E21 VanDerWaalsContact CE-OE2 3.25Å; K14-E21 WeakPolarHBondContact CE-OE2 3.44Å; K14-E21 IonicContact NZ-OE2 3.46Å; K14-E21 PolarHBondContact NZ-OE2 3.43Å; K14-D136 IonicContact NZ-OD1 2.7Å; K14-D136 PolarHBondContact NZ-OD1 3.08Å; K14-D136 IonicContact NZ-OD2 3.59Å; K14-D136 PolarHBondContact NZ-OD2 3.02Å
15	K	36.4	Very low	46.8	Very low	191 Å²	191	105.6 Å²	105.6	83%	0.83	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.5	172.7	-164.8	167.4	-177.3	176.2	0	112.9	V12 A13	V12-K15 PolarHBondContact O-N 3.49Å; A13-K15 PolarHBondContact O-N 3Å
16	I	37	Very low	49.3	Very low	135 Å²	135	102.2 Å²	102.2	69%	0.692	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-42.8	-178.3	-60.8	169.1	0	0	0	110.4	A13 K14 K18	A13-I16 WeakPolarHBondContact O-CA 3.48Å; A13-I16 WeakPolarHBondContact O-CB 3.37Å; A13-I16 PolarHBondContact O-N 2.81Å; K14-I16 VanDerWaalsContact C-N 3.28Å; I16-K18 PolarHBondContact O-N 3.13Å
17	L	37.6	Very low	52	Low	124 Å²	124	100.7 Å²	100.7	65%	0.649	48%	0.478	S	S	*	.			trans	-89.5	90.2	179.6	-137.2	76	0	0	0	111.2	A13 S19	A13-L17 PolarHBondContact O-N 3.17Å; L17-S19 PolarHBondContact O-N 3.26Å
18	K	33.8	Very low	54.5	Low	213 Å²	213	97 Å²	97	93%	0.926	47%	0.465	S	S	*	.			trans	-89	32	179.7	-142.7	178.4	-171.7	-177.8	0	113.7	I16	I16-K18 PolarHBondContact O-N 3.13Å
19	S	39.2	Very low	57.2	Low	71 Å²	71	90 Å²	90	50%	0.497	44%	0.441	S	S	.	.	S	Bend	trans	-79.6	150.3	172.8	44.1	0	0	0	0	111.1	L17 E21	L17-S19 PolarHBondContact O-N 3.26Å; S19-E21 PolarHBondContact O-N 2.8Å; S19-E21 VanDerWaalsContact O-N 3.17Å
20	K	49.5	Very low	59.6	Low	153 Å²	153	85.9 Å²	85.9	67%	0.665	43%	0.428	S	S	*	.			trans	-62.7	115	170.5	-75.8	-179	173.4	-174.3	0	109.7	D65	K20-D65 IonicContact NZ-OD2 2.69Å
21	E	66.1	Low	62.3	Low	69 Å²	69	80.4 Å²	80.4	32%	0.322	41%	0.407	S	S	.	.			trans	-78.6	130.4	163.1	-68	175.5	136.5	0	0	108.5	K14 S19 F23	K14-E21 VanDerWaalsContact CE-OE2 3.25Å; K14-E21 WeakPolarHBondContact CE-OE2 3.44Å; K14-E21 IonicContact NZ-OE2 3.46Å; K14-E21 PolarHBondContact NZ-OE2 3.43Å; S19-E21 PolarHBondContact O-N 2.8Å; S19-E21 VanDerWaalsContact O-N 3.17Å; E21-F23 HydrophobicContact CB-CE2 3.82Å; E21-F23 HydrophobicContact CB-CZ 3.88Å
22	V	80.5	Confident	64.9	Low	63 Å²	63	75.4 Å²	75.4	38%	0.382	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.7	178.9	-177.2	0	0	0	0	107.2	L63 L64	V22-L63 HydrophobicContact CG1-CB 3.85Å; V22-L63 HydrophobicContact CG1-CD1 4.45Å; V22-L63 HydrophobicContact CG1-CD2 4.34Å; V22-L63 HydrophobicContact CG1-CG 4.44Å; V22-L64 WeakPolarHBondContact CA-O 3.31Å
23	F	87.1	Confident	67.2	Low	14 Å²	14	71.6 Å²	71.6	6%	0.061	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.1	-175	-58.8	-87.6	0	0	0	110.9	E21 L63 L64 I66 L132 I133	E21-F23 HydrophobicContact CB-CE2 3.82Å; E21-F23 HydrophobicContact CB-CZ 3.88Å; F23-L63 CarbonylContact O-C 3.59Å; F23-L63 WeakPolarHBondContact O-CA 3.48Å; F23-L64 HydrophobicContact CB-CB 4.36Å; F23-L64 PolarHBondContact N-O 3.27Å; F23-L64 PolarHBondContact O-N 3.42Å; F23-I66 HydrophobicContact CD2-CD1 4.11Å; F23-I66 HydrophobicContact CD2-CG1 4.11Å; F23-I66 HydrophobicContact CE2-CD1 3.56Å; F23-I66 HydrophobicContact CE2-CG1 3.83Å; F23-I66 HydrophobicContact CZ-CD1 4.37Å; F23-L132 HydrophobicContact CE1-CD2 4.22Å; F23-I133 HydrophobicContact CB-CD1 3.67Å; F23-I133 HydrophobicContact CB-CG1 4.14Å; F23-I133 HydrophobicContact CD1-CD1 3.7Å; F23-I133 HydrophobicContact CD1-CG1 3.47Å; F23-I133 VanDerWaalsContact CD1-CG1 3.47Å; F23-I133 HydrophobicContact CD2-CG1 4.05Å; F23-I133 HydrophobicContact CE1-CD1 4.48Å; F23-I133 HydrophobicContact CE1-CG1 3.79Å; F23-I133 HydrophobicContact CE2-CG1 4.34Å; F23-I133 HydrophobicContact CG-CD1 3.7Å; F23-I133 HydrophobicContact CG-CG1 3.61Å; F23-I133 HydrophobicContact CZ-CG1 4.22Å
24	V	87.3	Confident	69.3	Low	65 Å²	65	72.1 Å²	72.1	39%	0.394	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.8	176.1	-176.7	0	0	0	0	109	K61 L63	V24-K61 HydrophobicContact CG1-CD 4.46Å; V24-K61 VanDerWaalsContact CG1-CE 3.49Å; V24-K61 HydrophobicContact CG1-CG 4.16Å; V24-L63 HydrophobicContact CG2-CD2 3.99Å
25	L	88.7	Confident	71.1	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154.6	179.8	-63.9	-179.8	0	0	0	111	K61 M62 L64 F73 L106 F123 C125 I133	L25-K61 WeakPolarHBondContact O-CA 3.35Å; L25-M62 PolarHBondContact N-O 2.68Å; L25-M62 PolarHBondContact O-N 2.76Å; L25-L64 HydrophobicContact CD1-CB 3.77Å; L25-L64 HydrophobicContact CD1-CD2 3.87Å; L25-L64 HydrophobicContact CD1-CG 4.43Å; L25-L64 HydrophobicContact CG-CB 4.32Å; L25-F73 HydrophobicContact CD1-CD1 4.4Å; L25-F73 HydrophobicContact CD1-CE1 3.8Å; L25-L106 HydrophobicContact CD2-CD2 4.42Å; L25-F123 HydrophobicContact CB-CB 4.42Å; L25-F123 HydrophobicContact CB-CD1 4.07Å; L25-F123 HydrophobicContact CD1-CB 4.41Å; L25-F123 HydrophobicContact CD1-CD1 3.87Å; L25-F123 HydrophobicContact CD1-CE1 4.26Å; L25-F123 HydrophobicContact CD1-CG 4.06Å; L25-F123 HydrophobicContact CD2-CB 4.4Å; L25-C125 HydrophobicContact CD2-CB 3.6Å; L25-I133 HydrophobicContact CD2-CD1 3.97Å
26	Q	87.9	Confident	72.5	Confident	82 Å²	82	66.5 Å²	66.5	38%	0.383	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	103	162.6	-69	173.4	-0.2	0	0	107.8	L28 Q60 F123 N124	Q26-L28 PolarHBondContact O-N 3.38Å; Q26-Q60 CarbonylContact C-O 3.6Å; Q26-Q60 WeakPolarHBondContact CA-O 3.36Å; Q26-F123 CarbonylContact O-C 3.55Å; Q26-F123 VanDerWaalsContact O-CA 3.24Å; Q26-F123 WeakPolarHBondContact O-CA 3.42Å; Q26-N124 HydrophobicContact CB-CB 4.14Å; Q26-N124 PolarHBondContact N-O 3.15Å; Q26-N124 PolarHBondContact O-N 3.39Å; Q26-N124 PolarHBondContact OE1-ND2 2.89Å
27	H	89.6	Confident	74	Confident	32 Å²	32	64.3 Å²	64.3	15%	0.148	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.3	169.4	176.6	-99.6	0	0	0	109.2	L29 T30 S59 Q60 M62 F123	H27-L29 VanDerWaalsContact NE2-C 3.29Å; H27-L29 PolarHBondContact NE2-O 3.48Å; H27-T30 PolarHBondContact CE1-OG1 3.47Å; H27-T30 PolarHBondContact NE2-OG1 2.88Å; H27-S59 CarbonylContact O-C 3.52Å; H27-S59 VanDerWaalsContact O-CA 3.25Å; H27-S59 WeakPolarHBondContact O-CA 3.45Å; H27-Q60 PolarHBondContact N-O 2.8Å; H27-Q60 PolarHBondContact O-N 2.93Å; H27-M62 HydrophobicContact CB-SD 3.72Å; H27-F123 HydrophobicContact CB-CD1 3.79Å; H27-F123 HydrophobicContact CB-CE1 3.87Å; H27-F123 AromaticContact CD2-CE1 3.67Å
28	L	87.5	Confident	76.1	Confident	9 Å²	9	58.4 Å²	58.4	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-43.4	-179.8	-60	-178	0	0	0	112.3	Q26 L48 F102 L105 F122 N124	Q26-L28 PolarHBondContact O-N 3.38Å; L28-L48 HydrophobicContact CB-CD1 4.13Å; L28-L48 HydrophobicContact CD1-CD1 4.37Å; L28-F102 HydrophobicContact CD1-CD1 4Å; L28-F102 HydrophobicContact CD1-CD2 3.99Å; L28-F102 HydrophobicContact CD1-CE1 3.77Å; L28-F102 HydrophobicContact CD1-CE2 3.75Å; L28-F102 HydrophobicContact CD1-CG 4.11Å; L28-F102 HydrophobicContact CD1-CZ 3.64Å; L28-F102 HydrophobicContact CD2-CE1 4.02Å; L28-F102 HydrophobicContact CD2-CZ 4.18Å; L28-L105 HydrophobicContact CD1-CD2 3.53Å; L28-F122 PolarHBondContact N-O 2.97Å; L28-N124 HydrophobicContact CD1-CB 4.06Å; L28-N124 HydrophobicContact CD2-CB 3.97Å; L28-N124 HydrophobicContact CG-CB 4.08Å
29	L	88.2	Confident	78.3	Confident	42 Å²	42	55.2 Å²	55.2	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	148.8	-173.5	-158.6	48.2	0	0	0	111.7	H27 F31 L48 L51 L57 F122	H27-L29 VanDerWaalsContact NE2-C 3.29Å; H27-L29 PolarHBondContact NE2-O 3.48Å; L29-F31 HydrophobicContact CB-CE2 4.4Å; L29-F31 HydrophobicContact CD2-CD2 4.34Å; L29-F31 HydrophobicContact CD2-CE1 4.05Å; L29-F31 HydrophobicContact CD2-CE2 3.45Å; L29-F31 VanDerWaalsContact CD2-CE2 3.45Å; L29-F31 HydrophobicContact CD2-CZ 3.28Å; L29-F31 HydrophobicContact CG-CD2 4.24Å; L29-F31 HydrophobicContact CG-CE2 3.81Å; L29-F31 HydrophobicContact CG-CZ 4Å; L29-L48 HydrophobicContact CB-CD1 3.83Å; L29-L48 HydrophobicContact CD2-CD1 4.05Å; L29-L51 HydrophobicContact CD2-CD1 3.56Å; L29-L57 HydrophobicContact CD2-CD2 4.12Å; L29-F122 PolarHBondContact O-N 2.79Å
30	T	88.6	Confident	80.4	Confident	47 Å²	47	52.5 Å²	52.5	29%	0.288	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135	166.9	-57.1	0	0	0	0	109.1	H27 D119 I120 H121	H27-T30 PolarHBondContact CE1-OG1 3.47Å; H27-T30 PolarHBondContact NE2-OG1 2.88Å; T30-D119 HydrophobicContact CG2-CB 3.77Å; T30-I120 CarbonylContact C-O 3.6Å; T30-I120 VanDerWaalsContact CA-O 3.31Å; T30-I120 WeakPolarHBondContact CA-O 3.47Å; T30-H121 PolarHBondContact OG1-ND1 2.56Å
31	F	87.9	Confident	82.1	Confident	23 Å²	23	45.4 Å²	45.4	10%	0.101	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.5	171.7	-64.9	-87.8	0	0	0	110.6	L29 V38 A44 R47 D119 I120 F122	L29-F31 HydrophobicContact CB-CE2 4.4Å; L29-F31 HydrophobicContact CD2-CD2 4.34Å; L29-F31 HydrophobicContact CD2-CE1 4.05Å; L29-F31 HydrophobicContact CD2-CE2 3.45Å; L29-F31 VanDerWaalsContact CD2-CE2 3.45Å; L29-F31 HydrophobicContact CD2-CZ 3.28Å; L29-F31 HydrophobicContact CG-CD2 4.24Å; L29-F31 HydrophobicContact CG-CE2 3.81Å; L29-F31 HydrophobicContact CG-CZ 4Å; F31-V38 HydrophobicContact CB-CG1 4.38Å; F31-V38 HydrophobicContact CB-CG2 3.71Å; F31-V38 HydrophobicContact CD1-CG1 3.65Å; F31-V38 HydrophobicContact CE1-CG1 4.05Å; F31-V38 HydrophobicContact CG-CG1 4.12Å; F31-V38 HydrophobicContact CG-CG2 4.3Å; F31-A44 HydrophobicContact CD2-CB 3.71Å; F31-A44 HydrophobicContact CE2-CB 3.98Å; F31-A44 WeakPolarHBondContact CE2-O 3.44Å; F31-A44 HydrophobicContact CG-CB 4.17Å; F31-R47 HydrophobicContact CE1-CB 4.05Å; F31-R47 HydrophobicContact CZ-CB 3.73Å; F31-D119 WeakPolarHBondContact O-CA 3.41Å; F31-I120 PolarHBondContact N-O 3.36Å; F31-I120 PolarHBondContact O-N 3.34Å; F31-F122 HydrophobicContact CD2-CD2 4.18Å; F31-F122 AromaticContact CD2-CE2 3.87Å; F31-F122 HydrophobicContact CD2-CE2 3.87Å; F31-F122 HydrophobicContact CE2-CD2 4.18Å; F31-F122 AromaticContact CE2-CE2 3.9Å; F31-F122 HydrophobicContact CE2-CE2 3.9Å
32	S	86.1	Confident	83.1	Confident	18 Å²	18	47.9 Å²	47.9	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	130.6	171.1	155.4	0	0	0	0	111.2	Q34 D35 D119	S32-Q34 VanDerWaalsContact C-N 3.27Å; S32-Q34 WeakPolarHBondContact OG-CB 3.35Å; S32-Q34 PolarHBondContact OG-N 2.89Å; S32-D35 WeakPolarHBondContact CB-OD2 3.33Å; S32-D35 PolarHBondContact OG-N 3.34Å; S32-D35 PolarHBondContact OG-OD2 3Å; S32-D119 VanDerWaalsContact CA-OD1 3.3Å; S32-D119 WeakPolarHBondContact CA-OD1 3.23Å; S32-D119 WeakPolarHBondContact CB-OD1 3.15Å
33	L	84.1	Confident	83.4	Confident	18 Å²	18	47.9 Å²	47.9	9%	0.094	26%	0.255	C	S	.	.	S	Bend	trans	-80.2	-10.3	170.1	-67.5	165.2	0	0	0	112.3	V38 K117 P118 I120	L33-V38 HydrophobicContact CD2-CG2 3.96Å; L33-V38 WeakPolarHBondContact CD2-O 3.15Å; L33-K117 HydrophobicContact CB-CB 4.19Å; L33-K117 HydrophobicContact CB-CD 4.07Å; L33-K117 WeakPolarHBondContact O-CD 3.35Å; L33-K117 PolarHBondContact O-NZ 3.36Å; L33-P118 WeakPolarHBondContact CB-O 3.45Å; L33-P118 HydrophobicContact CD1-CG 4.13Å; L33-P118 PolarHBondContact N-O 2.87Å; L33-I120 HydrophobicContact CD1-CD1 4.13Å; L33-I120 HydrophobicContact CD1-CG1 4.1Å; L33-I120 HydrophobicContact CD2-CD1 3.98Å; L33-I120 HydrophobicContact CG-CD1 4.12Å; L33-I120 HydrophobicContact CG-CG1 4.24Å
34	Q	78.3	Confident	83.4	Confident	66 Å²	66	47.2 Å²	47.2	31%	0.308	25%	0.252	S	S	.	.	S	Bend	trans	-72.3	-45.2	-176.9	-58.2	173.7	91.5	0	0	111.1	S32 G36 Q115 K117	S32-Q34 VanDerWaalsContact C-N 3.27Å; S32-Q34 WeakPolarHBondContact OG-CB 3.35Å; S32-Q34 PolarHBondContact OG-N 2.89Å; Q34-G36 PolarHBondContact O-N 3.05Å; Q34-Q115 VanDerWaalsContact OE1-CA 3.31Å; Q34-K117 HydrophobicContact CG-CB 3.77Å; Q34-K117 HydrophobicContact CG-CG 4.49Å; Q34-K117 WeakPolarHBondContact CG-O 3.41Å
35	D	71.8	Confident	83.4	Confident	116 Å²	116	46.8 Å²	46.8	62%	0.62	25%	0.246	S	C	*	.	S	Bend	trans	-82.2	3	-172.9	-49.6	-67.1	0	0	0	113.4	S32 N37	S32-D35 WeakPolarHBondContact CB-OD2 3.33Å; S32-D35 PolarHBondContact OG-N 3.34Å; S32-D35 PolarHBondContact OG-OD2 3Å; D35-N37 PolarHBondContact O-N 3.36Å
36	G	65.9	Low	83.3	Confident	36 Å²	36	49.6 Å²	49.6	37%	0.371	27%	0.269	S	S	.	.	S	Bend	trans	68.9	6.2	-174.6	0	0	0	0	0	114.4	Q34 V38 Q39	Q34-G36 PolarHBondContact O-N 3.05Å; G36-V38 PolarHBondContact O-N 2.89Å; G36-Q39 PolarHBondContact O-NE2 3.29Å
37	N	69.3	Low	83.1	Confident	88 Å²	88	50.4 Å²	50.4	47%	0.471	27%	0.268	S	S	.	.	S	Bend	trans	-55.6	-35.1	-178.5	-90.5	-45.8	0	0	0	112.9	D35 R47	D35-N37 PolarHBondContact O-N 3.36Å; N37-R47 PolarHBondContact O-NH1 2.78Å; N37-R47 PolarHBondContact O-NH2 2.69Å
38	V	81.7	Confident	83	Confident	1 Å²	1	49 Å²	49	1%	0.006	26%	0.262	C	S	.	.			trans	-139.1	154.4	166.4	-64.4	0	0	0	0	109.2	F31 L33 G36 E43 A44 I120	F31-V38 HydrophobicContact CB-CG1 4.38Å; F31-V38 HydrophobicContact CB-CG2 3.71Å; F31-V38 HydrophobicContact CD1-CG1 3.65Å; F31-V38 HydrophobicContact CE1-CG1 4.05Å; F31-V38 HydrophobicContact CG-CG1 4.12Å; F31-V38 HydrophobicContact CG-CG2 4.3Å; L33-V38 HydrophobicContact CD2-CG2 3.96Å; L33-V38 WeakPolarHBondContact CD2-O 3.15Å; G36-V38 PolarHBondContact O-N 2.89Å; V38-E43 WeakPolarHBondContact CA-OE2 3.46Å; V38-E43 HydrophobicContact CB-CB 4.47Å; V38-E43 HydrophobicContact CB-CG 4.47Å; V38-E43 HydrophobicContact CG1-CG 4.3Å; V38-A44 HydrophobicContact CB-CB 4.44Å; V38-A44 HydrophobicContact CG1-CB 4.24Å; V38-A44 HydrophobicContact CG2-CB 4.18Å; V38-I120 HydrophobicContact CG2-CD1 4.39Å
39	Q	78.4	Confident	82.9	Confident	145 Å²	145	50.3 Å²	50.3	68%	0.678	27%	0.272	S	S	*	.	S	Bend	trans	-97.3	-15.1	177.3	-56.9	-57.4	-47.6	0	0	113.3	G36 E43	G36-Q39 PolarHBondContact O-NE2 3.29Å; Q39-E43 PolarHBondContact N-OE2 3.37Å
40	G	83.5	Confident	82.7	Confident	14 Å²	14	54.2 Å²	54.2	14%	0.144	29%	0.287	C	S	.	.	S	Bend	trans	-172.3	-179.2	-176.9	0	0	0	0	0	113.9	E42 A44	G40-E42 VanDerWaalsContact C-N 3.33Å; G40-E42 PolarHBondContact O-N 2.99Å; G40-A44 WeakPolarHBondContact O-CB 3.35Å; G40-A44 PolarHBondContact O-N 3.38Å; G40-A44 VanDerWaalsContact O-N 3.13Å
41	V	85.8	Confident	82.4	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	29%	0.285	C	S	.	.	H	α-helix	trans	-66.2	-38.3	-176.7	176.8	0	0	0	0	111.3	A44 Q45 I96 L107 I109 I120	V41-A44 PolarHBondContact O-N 2.81Å; V41-Q45 WeakPolarHBondContact O-CB 3.45Å; V41-Q45 PolarHBondContact O-N 2.93Å; V41-I96 HydrophobicContact CG1-CD1 4.46Å; V41-L107 HydrophobicContact CG1-CD1 3.9Å; V41-L107 HydrophobicContact CG1-CD2 3.79Å; V41-L107 HydrophobicContact CG2-CD2 4.25Å; V41-I109 HydrophobicContact CG2-CD1 3.55Å; V41-I120 HydrophobicContact CG2-CD1 4.14Å
42	E	86.3	Confident	82.1	Confident	121 Å²	121	53.7 Å²	53.7	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-66.5	-41.3	-175.6	-62.4	66.7	-149.1	0	0	110.6	G40 A46	G40-E42 VanDerWaalsContact C-N 3.33Å; G40-E42 PolarHBondContact O-N 2.99Å; E42-A46 WeakPolarHBondContact O-CB 3.36Å; E42-A46 PolarHBondContact O-N 3.19Å
43	E	86.9	Confident	81.9	Confident	64 Å²	64	56.9 Å²	56.9	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-69.6	-42.1	173.4	-170.7	-174.6	-177	0	0	111.5	V38 Q39 Q45 A46 R47	V38-E43 WeakPolarHBondContact CA-OE2 3.46Å; V38-E43 HydrophobicContact CB-CB 4.47Å; V38-E43 HydrophobicContact CB-CG 4.47Å; V38-E43 HydrophobicContact CG1-CG 4.3Å; Q39-E43 PolarHBondContact N-OE2 3.37Å; E43-Q45 VanDerWaalsContact C-N 3.33Å; E43-Q45 PolarHBondContact O-N 2.81Å; E43-A46 PolarHBondContact O-N 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.32Å; E43-R47 PolarHBondContact O-N 2.87Å; E43-R47 IonicContact OE1-CZ 3.71Å; E43-R47 VanDerWaalsContact OE1-CZ 3.29Å; E43-R47 IonicContact OE1-NE 3.95Å; E43-R47 PolarHBondContact OE1-NE 2.73Å; E43-R47 VanDerWaalsContact OE1-NE 3.14Å; E43-R47 IonicContact OE1-NH2 2.67Å; E43-R47 PolarHBondContact OE1-NH2 3.27Å
44	A	87.6	Confident	81.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-41.4	177.3	0	0	0	0	0	111.7	F31 V38 G40 V41 R47 L48 I120 F122	F31-A44 HydrophobicContact CD2-CB 3.71Å; F31-A44 HydrophobicContact CE2-CB 3.98Å; F31-A44 WeakPolarHBondContact CE2-O 3.44Å; F31-A44 HydrophobicContact CG-CB 4.17Å; V38-A44 HydrophobicContact CB-CB 4.44Å; V38-A44 HydrophobicContact CG1-CB 4.24Å; V38-A44 HydrophobicContact CG2-CB 4.18Å; G40-A44 WeakPolarHBondContact O-CB 3.35Å; G40-A44 PolarHBondContact O-N 3.38Å; G40-A44 VanDerWaalsContact O-N 3.13Å; V41-A44 PolarHBondContact O-N 2.81Å; A44-R47 PolarHBondContact O-N 3.3Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 PolarHBondContact O-N 3.44Å; A44-I120 HydrophobicContact CB-CD1 4.21Å; A44-I120 HydrophobicContact CB-CG2 4.46Å; A44-F122 HydrophobicContact CB-CE2 3.78Å; A44-F122 HydrophobicContact CB-CZ 4Å
45	Q	87.4	Confident	81.5	Confident	56 Å²	56	63.5 Å²	63.5	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-67.5	-39.6	174.6	-177.1	-178.9	-10.1	0	0	112.3	V41 E43 L48 S49 F122	V41-Q45 WeakPolarHBondContact O-CB 3.45Å; V41-Q45 PolarHBondContact O-N 2.93Å; E43-Q45 VanDerWaalsContact C-N 3.33Å; E43-Q45 PolarHBondContact O-N 2.81Å; Q45-L48 PolarHBondContact O-N 2.81Å; Q45-S49 WeakPolarHBondContact O-CB 3.31Å; Q45-S49 PolarHBondContact O-N 2.82Å; Q45-S49 PolarHBondContact O-OG 2.89Å; Q45-F122 HydrophobicContact CB-CE1 4.42Å; Q45-F122 HydrophobicContact CB-CZ 4.21Å
46	A	85.4	Confident	81.6	Confident	59 Å²	59	64.2 Å²	64.2	49%	0.488	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-42.6	175.2	0	0	0	0	0	111.6	E42 E43 S49 F50	E42-A46 WeakPolarHBondContact O-CB 3.36Å; E42-A46 PolarHBondContact O-N 3.19Å; E43-A46 PolarHBondContact O-N 3.29Å; A46-S49 WeakPolarHBondContact O-CB 3.31Å; A46-S49 PolarHBondContact O-N 3.18Å; A46-F50 PolarHBondContact O-N 2.79Å
47	R	85.1	Confident	82.1	Confident	100 Å²	100	64.3 Å²	64.3	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-68.4	-40.2	175.8	-69.7	-178.7	-176.3	-148.1	11.8	112.7	F31 N37 E43 A44 S49 F50 L51	F31-R47 HydrophobicContact CE1-CB 4.05Å; F31-R47 HydrophobicContact CZ-CB 3.73Å; N37-R47 PolarHBondContact O-NH1 2.78Å; N37-R47 PolarHBondContact O-NH2 2.69Å; E43-R47 WeakPolarHBondContact O-CG 3.32Å; E43-R47 PolarHBondContact O-N 2.87Å; E43-R47 IonicContact OE1-CZ 3.71Å; E43-R47 VanDerWaalsContact OE1-CZ 3.29Å; E43-R47 IonicContact OE1-NE 3.95Å; E43-R47 PolarHBondContact OE1-NE 2.73Å; E43-R47 VanDerWaalsContact OE1-NE 3.14Å; E43-R47 IonicContact OE1-NH2 2.67Å; E43-R47 PolarHBondContact OE1-NH2 3.27Å; A44-R47 PolarHBondContact O-N 3.3Å; R47-S49 VanDerWaalsContact C-N 3.31Å; R47-S49 PolarHBondContact O-N 3.48Å; R47-F50 PolarHBondContact O-N 3.03Å; R47-L51 WeakPolarHBondContact O-CG 3.33Å; R47-L51 PolarHBondContact O-N 2.82Å
48	L	86.9	Confident	82.3	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-45.6	171.9	-177.8	78.1	0	0	0	110.8	L28 L29 A44 Q45 L51 A52 L57 L105 F122	L28-L48 HydrophobicContact CB-CD1 4.13Å; L28-L48 HydrophobicContact CD1-CD1 4.37Å; L29-L48 HydrophobicContact CB-CD1 3.83Å; L29-L48 HydrophobicContact CD2-CD1 4.05Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 PolarHBondContact O-N 3.44Å; Q45-L48 PolarHBondContact O-N 2.81Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-A52 PolarHBondContact O-N 3.19Å; L48-L57 HydrophobicContact CD1-CD1 3.96Å; L48-L57 HydrophobicContact CD1-CD2 3.86Å; L48-L57 HydrophobicContact CG-CD1 4.41Å; L48-L105 HydrophobicContact CD2-CD1 3.55Å; L48-F122 HydrophobicContact CD1-CB 4.35Å; L48-F122 HydrophobicContact CD1-CG 4.49Å; L48-F122 HydrophobicContact CD2-CB 3.99Å; L48-F122 HydrophobicContact CD2-CD1 3.68Å; L48-F122 HydrophobicContact CD2-CD2 4.18Å; L48-F122 HydrophobicContact CD2-CE1 4.13Å; L48-F122 HydrophobicContact CD2-CG 3.7Å
49	S	85.9	Confident	82.4	Confident	37 Å²	37	74.6 Å²	74.6	26%	0.259	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-49.2	178	-57.2	0	0	0	0	111.2	Q45 A46 R47 L51 A52 D53	Q45-S49 WeakPolarHBondContact O-CB 3.31Å; Q45-S49 PolarHBondContact O-N 2.82Å; Q45-S49 PolarHBondContact O-OG 2.89Å; A46-S49 WeakPolarHBondContact O-CB 3.31Å; A46-S49 PolarHBondContact O-N 3.18Å; R47-S49 VanDerWaalsContact C-N 3.31Å; R47-S49 PolarHBondContact O-N 3.48Å; S49-L51 VanDerWaalsContact C-N 3.31Å; S49-L51 PolarHBondContact O-N 2.87Å; S49-A52 WeakPolarHBondContact O-CA 3.33Å; S49-A52 WeakPolarHBondContact O-CB 3.3Å; S49-A52 PolarHBondContact O-N 2.89Å; S49-D53 PolarHBondContact O-N 2.78Å
50	F	84.3	Confident	82.6	Confident	124 Å²	124	71.6 Å²	71.6	54%	0.544	36%	0.357	S	S	.	.	H	α-helix	trans	-59.2	-38.5	176.7	175.3	-96.4	0	0	0	113.1	A46 R47 A52 N54	A46-F50 PolarHBondContact O-N 2.79Å; R47-F50 PolarHBondContact O-N 3.03Å; F50-A52 VanDerWaalsContact C-N 3.33Å; F50-N54 WeakPolarHBondContact CE2-ND2 3.5Å; F50-N54 WeakPolarHBondContact O-CB 3.4Å; F50-N54 PolarHBondContact O-N 2.93Å; F50-N54 PolarHBondContact O-ND2 3.24Å
51	L	82.6	Confident	82.6	Confident	46 Å²	46	76.7 Å²	76.7	24%	0.241	38%	0.376	C	S	.	.	H	α-helix	trans	-69.3	-31.3	175.7	-70.8	168.6	0	0	0	112.3	L29 R47 L48 S49 N55 K56 L57	L29-L51 HydrophobicContact CD2-CD1 3.56Å; R47-L51 WeakPolarHBondContact O-CG 3.33Å; R47-L51 PolarHBondContact O-N 2.82Å; L48-L51 PolarHBondContact O-N 3.44Å; S49-L51 VanDerWaalsContact C-N 3.31Å; S49-L51 PolarHBondContact O-N 2.87Å; L51-N55 PolarHBondContact O-N 3.28Å; L51-K56 HydrophobicContact CD2-CB 3.88Å; L51-K56 PolarHBondContact O-N 2.73Å; L51-L57 HydrophobicContact CB-CD2 3.57Å; L51-L57 HydrophobicContact CB-CG 3.82Å; L51-L57 HydrophobicContact CD1-CD2 4.15Å
52	A	80.9	Confident	82.9	Confident	12 Å²	12	77 Å²	77	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-68.3	-50.4	171	0	0	0	0	0	111.6	L48 S49 F50 N54 N55 L57 H101 F102	L48-A52 PolarHBondContact O-N 3.19Å; S49-A52 WeakPolarHBondContact O-CA 3.33Å; S49-A52 WeakPolarHBondContact O-CB 3.3Å; S49-A52 PolarHBondContact O-N 2.89Å; F50-A52 VanDerWaalsContact C-N 3.33Å; A52-N54 PolarHBondContact O-N 2.98Å; A52-N55 PolarHBondContact O-N 3Å; A52-L57 HydrophobicContact CB-CD1 3.73Å; A52-H101 HydrophobicContact CB-CB 3.97Å; A52-F102 HydrophobicContact CB-CE2 3.98Å; A52-F102 HydrophobicContact CB-CZ 4.49Å
53	D	81.5	Confident	83	Confident	86 Å²	86	72.5 Å²	72.5	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-53.2	-26.1	175.1	-74.8	-72	0	0	0	112.2	S49 H101	S49-D53 PolarHBondContact O-N 2.78Å; D53-H101 IonicContact OD1-CE1 2.86Å; D53-H101 PolarHBondContact OD1-CE1 2.78Å; D53-H101 IonicContact OD1-NE2 3.83Å; D53-H101 IonicContact OD2-CE1 3.29Å
54	N	78.8	Confident	83.2	Confident	65 Å²	65	69.4 Å²	69.4	35%	0.348	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	2.7	-178.7	-80.9	-104	0	0	0	114.9	F50 A52 K56	F50-N54 WeakPolarHBondContact CE2-ND2 3.5Å; F50-N54 WeakPolarHBondContact O-CB 3.4Å; F50-N54 PolarHBondContact O-N 2.93Å; F50-N54 PolarHBondContact O-ND2 3.24Å; A52-N54 PolarHBondContact O-N 2.98Å; N54-K56 HydrophobicContact CB-CB 4.46Å; N54-K56 HydrophobicContact CB-CD 4.02Å; N54-K56 HydrophobicContact CB-CG 4.15Å; N54-K56 PolarHBondContact O-N 2.91Å
55	N	74.6	Confident	83.3	Confident	158 Å²	158	69.6 Å²	69.6	85%	0.845	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.2	-171.3	-65.8	-45.9	0	0	0	113.8	L51 A52	L51-N55 PolarHBondContact O-N 3.28Å; A52-N55 PolarHBondContact O-N 3Å
56	K	74.1	Confident	83.3	Confident	131 Å²	131	68.5 Å²	68.5	57%	0.57	34%	0.338	S	S	*	.			trans	-107.9	4	-178.5	-74.1	176.5	-175.2	169.8	0	114.2	L51 N54	L51-K56 HydrophobicContact CD2-CB 3.88Å; L51-K56 PolarHBondContact O-N 2.73Å; N54-K56 HydrophobicContact CB-CB 4.46Å; N54-K56 HydrophobicContact CB-CD 4.02Å; N54-K56 HydrophobicContact CB-CG 4.15Å; N54-K56 PolarHBondContact O-N 2.91Å
57	L	77	Confident	83.1	Confident	37 Å²	37	67 Å²	67	19%	0.194	33%	0.33	C	S	.	.			trans	-81.6	135.8	170.8	-67.3	177.6	0	0	0	110.7	L29 L48 L51 A52 F102	L29-L57 HydrophobicContact CD2-CD2 4.12Å; L48-L57 HydrophobicContact CD1-CD1 3.96Å; L48-L57 HydrophobicContact CD1-CD2 3.86Å; L48-L57 HydrophobicContact CG-CD1 4.41Å; L51-L57 HydrophobicContact CB-CD2 3.57Å; L51-L57 HydrophobicContact CB-CG 3.82Å; L51-L57 HydrophobicContact CD1-CD2 4.15Å; A52-L57 HydrophobicContact CB-CD1 3.73Å; L57-F102 HydrophobicContact CD1-CE2 3.65Å; L57-F102 HydrophobicContact CD1-CZ 3.64Å
58	W	73.4	Confident	82.8	Confident	232 Å²	232	68.2 Å²	68.2	88%	0.879	35%	0.353	S	S	*	.			trans	-109.8	136.2	167.4	-78.5	72.9	0	0	0	108
59	S	83.1	Confident	82.5	Confident	73 Å²	73	72.2 Å²	72.2	51%	0.51	38%	0.375	S	S	.	.			trans	-109.4	122.1	179.8	58.4	0	0	0	0	111.4	H27	H27-S59 CarbonylContact O-C 3.52Å; H27-S59 VanDerWaalsContact O-CA 3.25Å; H27-S59 WeakPolarHBondContact O-CA 3.45Å
60	Q	82.9	Confident	82.6	Confident	83 Å²	83	71.1 Å²	71.1	39%	0.388	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.2	170	-176.1	174.1	-2.4	0	0	110.1	Q26 H27 M62 D75	Q26-Q60 CarbonylContact C-O 3.6Å; Q26-Q60 WeakPolarHBondContact CA-O 3.36Å; H27-Q60 PolarHBondContact N-O 2.8Å; H27-Q60 PolarHBondContact O-N 2.93Å; Q60-M62 HydrophobicContact CG-CG 4.48Å; Q60-D75 PolarHBondContact NE2-OD2 3.31Å
61	K	84.8	Confident	83	Confident	121 Å²	121	65.2 Å²	65.2	53%	0.526	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.3	174.2	-166.5	-171.8	175.8	-169.8	0	109.5	V24 L25 A76	V24-K61 HydrophobicContact CG1-CD 4.46Å; V24-K61 VanDerWaalsContact CG1-CE 3.49Å; V24-K61 HydrophobicContact CG1-CG 4.16Å; L25-K61 WeakPolarHBondContact O-CA 3.35Å; K61-A76 HydrophobicContact CB-CB 3.88Å; K61-A76 HydrophobicContact CD-CB 3.71Å; K61-A76 HydrophobicContact CG-CB 3.55Å; K61-A76 VanDerWaalsContact O-CB 3.28Å; K61-A76 WeakPolarHBondContact O-CB 3.25Å; K61-A76 PolarHBondContact O-N 3.2Å
62	M	90.9	Very high	83.3	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.044	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.5	-179	-71.6	178.5	141.4	0	0	111.1	L25 H27 Q60 F73 R74 L82 F123	L25-M62 PolarHBondContact N-O 2.68Å; L25-M62 PolarHBondContact O-N 2.76Å; H27-M62 HydrophobicContact CB-SD 3.72Å; Q60-M62 HydrophobicContact CG-CG 4.48Å; M62-F73 HydrophobicContact CE-CB 4.37Å; M62-F73 HydrophobicContact SD-CB 4.39Å; M62-F73 HydrophobicContact SD-CD1 4.19Å; M62-R74 CarbonylContact C-O 3.45Å; M62-R74 WeakPolarHBondContact CA-O 3.48Å; M62-L82 HydrophobicContact CE-CB 4.31Å; M62-L82 HydrophobicContact CE-CD1 3.55Å; M62-L82 HydrophobicContact CG-CD1 4.32Å; M62-F123 HydrophobicContact SD-CE1 4.02Å
63	L	88.8	Confident	83.8	Confident	27 Å²	27	64.9 Å²	64.9	14%	0.141	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.1	167.6	-57.9	177.8	0	0	0	109.6	V22 F23 V24 F73 R74 A76 E79	V22-L63 HydrophobicContact CG1-CB 3.85Å; V22-L63 HydrophobicContact CG1-CD1 4.45Å; V22-L63 HydrophobicContact CG1-CD2 4.34Å; V22-L63 HydrophobicContact CG1-CG 4.44Å; F23-L63 CarbonylContact O-C 3.59Å; F23-L63 WeakPolarHBondContact O-CA 3.48Å; V24-L63 HydrophobicContact CG2-CD2 3.99Å; L63-F73 CarbonylContact O-C 3.56Å; L63-F73 VanDerWaalsContact O-CA 3.32Å; L63-F73 WeakPolarHBondContact O-CA 3.1Å; L63-R74 HydrophobicContact CB-CB 4.33Å; L63-R74 PolarHBondContact N-O 2.7Å; L63-R74 PolarHBondContact O-N 2.8Å; L63-A76 HydrophobicContact CD2-CB 4.48Å; L63-A76 HydrophobicContact CG-CB 4.32Å; L63-E79 HydrophobicContact CD1-CG 4.16Å
64	L	91.8	Very high	84.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.9	174.2	171.3	61.1	0	0	0	110.4	V22 F23 L25 I66 L71 R72 F73 I133 I137	V22-L64 WeakPolarHBondContact CA-O 3.31Å; F23-L64 HydrophobicContact CB-CB 4.36Å; F23-L64 PolarHBondContact N-O 3.27Å; F23-L64 PolarHBondContact O-N 3.42Å; L25-L64 HydrophobicContact CD1-CB 3.77Å; L25-L64 HydrophobicContact CD1-CD2 3.87Å; L25-L64 HydrophobicContact CD1-CG 4.43Å; L25-L64 HydrophobicContact CG-CB 4.32Å; L64-I66 HydrophobicContact CG-CG1 4.38Å; L64-L71 HydrophobicContact CD1-CB 4.02Å; L64-L71 HydrophobicContact CD1-CD1 4.4Å; L64-L71 HydrophobicContact CD1-CD2 4.24Å; L64-L71 HydrophobicContact CD1-CG 4.45Å; L64-R72 WeakPolarHBondContact CA-O 2.92Å; L64-F73 HydrophobicContact CB-CD1 4.43Å; L64-F73 HydrophobicContact CB-CE1 4.38Å; L64-F73 HydrophobicContact CD1-CD1 4.21Å; L64-F73 HydrophobicContact CD1-CE1 3.92Å; L64-F73 HydrophobicContact CD1-CE2 4.34Å; L64-F73 HydrophobicContact CD1-CZ 3.99Å; L64-F73 HydrophobicContact CD2-CE1 4.45Å; L64-F73 HydrophobicContact CG-CE1 4.47Å; L64-I133 HydrophobicContact CD2-CG2 3.81Å; L64-I137 HydrophobicContact CD2-CD1 4.42Å
65	D	89	Confident	84.5	Confident	4 Å²	4	60 Å²	60	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.1	165.8	-70.9	24.8	0	0	0	109.4	K20 G67 R72 R74	K20-D65 IonicContact NZ-OD2 2.69Å; D65-G67 PolarHBondContact O-N 2.83Å; D65-R72 HydrophobicContact CB-CB 4.18Å; D65-R72 HydrophobicContact CB-CG 4.46Å; D65-R72 PolarHBondContact N-O 2.87Å; D65-R72 PolarHBondContact O-N 3.48Å; D65-R72 IonicContact OD2-CZ 2.7Å; D65-R72 IonicContact OD2-NE 3.78Å; D65-R72 PolarHBondContact OD2-NE 3.01Å; D65-R72 IonicContact OD2-NH2 2.88Å; D65-R72 PolarHBondContact OD2-NH2 2.81Å; D65-R74 IonicContact OD1-CZ 3.37Å; D65-R74 IonicContact OD1-NE 3.99Å; D65-R74 PolarHBondContact OD1-NE 2.92Å; D65-R74 IonicContact OD1-NH2 2.77Å; D65-R74 PolarHBondContact OD1-NH2 2.86Å; D65-R74 IonicContact OD2-NE 2.66Å
66	I	88.4	Confident	84.7	Confident	32 Å²	32	53.7 Å²	53.7	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	96.4	165.5	-54.5	-172.9	0	0	0	108.6	F23 L64 L71 F87 D136 I137	F23-I66 HydrophobicContact CD2-CD1 4.11Å; F23-I66 HydrophobicContact CD2-CG1 4.11Å; F23-I66 HydrophobicContact CE2-CD1 3.56Å; F23-I66 HydrophobicContact CE2-CG1 3.83Å; F23-I66 HydrophobicContact CZ-CD1 4.37Å; L64-I66 HydrophobicContact CG-CG1 4.38Å; I66-L71 HydrophobicContact CB-CD2 4.15Å; I66-L71 HydrophobicContact CG1-CD2 3.89Å; I66-L71 HydrophobicContact CG2-CD2 3.96Å; I66-F87 HydrophobicContact CG2-CZ 4.19Å; I66-D136 HydrophobicContact CD1-CB 3.79Å; I66-I137 HydrophobicContact CD1-CG1 4.17Å
67	G	80.8	Confident	84.7	Confident	29 Å²	29	52.8 Å²	52.8	30%	0.299	29%	0.286	S	S	.	.			trans	-80.8	177.3	179.7	0	0	0	0	0	114	D65 N69 S70 F87	D65-G67 PolarHBondContact O-N 2.83Å; G67-N69 VanDerWaalsContact C-N 3.31Å; G67-N69 PolarHBondContact O-N 3.3Å; G67-S70 VanDerWaalsContact CA-O 3.31Å; G67-S70 WeakPolarHBondContact CA-O 3.27Å; G67-S70 PolarHBondContact N-O 2.89Å; G67-F87 VanDerWaalsContact O-CE2 3.27Å; G67-F87 WeakPolarHBondContact O-CE2 3.4Å; G67-F87 WeakPolarHBondContact O-CZ 3.42Å
68	S	78.1	Confident	84.6	Confident	125 Å²	125	54.1 Å²	54.1	87%	0.874	30%	0.298	S	S	*	.	S	Bend	trans	-73.4	-15.1	-179.5	52.6	0	0	0	0	115.3
69	N	81.4	Confident	84.9	Confident	86 Å²	86	48.7 Å²	48.7	46%	0.46	28%	0.283	S	S	.	.	S	Bend	trans	-148.1	4.1	177.8	-164.5	47	0	0	0	113.8	G67 F87	G67-N69 VanDerWaalsContact C-N 3.31Å; G67-N69 PolarHBondContact O-N 3.3Å; N69-F87 VanDerWaalsContact CA-CD2 3.45Å; N69-F87 PolarHBondContact O-N 3.05Å
70	S	88.4	Confident	84.7	Confident	14 Å²	14	50 Å²	50	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	143.9	-174.8	61.3	0	0	0	0	111.8	G67 R84 Y85	G67-S70 VanDerWaalsContact CA-O 3.31Å; G67-S70 WeakPolarHBondContact CA-O 3.27Å; G67-S70 PolarHBondContact N-O 2.89Å; S70-R84 PolarHBondContact OG-NE 2.86Å; S70-R84 VanDerWaalsContact OG-NE 3.16Å; S70-R84 PolarHBondContact OG-NH2 2.99Å; S70-Y85 CarbonylContact C-O 3.55Å; S70-Y85 WeakPolarHBondContact CA-O 3.46Å; S70-Y85 VanDerWaalsContact CB-O 3.23Å; S70-Y85 WeakPolarHBondContact CB-O 3.4Å
71	L	91.4	Very high	84.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.4	162.9	-61.8	-172.1	0	0	0	110.3	L64 I66 R84 Y85 F87 I90 L108 I137	L64-L71 HydrophobicContact CD1-CB 4.02Å; L64-L71 HydrophobicContact CD1-CD1 4.4Å; L64-L71 HydrophobicContact CD1-CD2 4.24Å; L64-L71 HydrophobicContact CD1-CG 4.45Å; I66-L71 HydrophobicContact CB-CD2 4.15Å; I66-L71 HydrophobicContact CG1-CD2 3.89Å; I66-L71 HydrophobicContact CG2-CD2 3.96Å; L71-R84 WeakPolarHBondContact O-CA 3.27Å; L71-R84 WeakPolarHBondContact O-CG 3.1Å; L71-Y85 PolarHBondContact N-O 2.9Å; L71-Y85 PolarHBondContact O-N 2.96Å; L71-F87 HydrophobicContact CD2-CE1 3.67Å; L71-F87 HydrophobicContact CD2-CZ 4.3Å; L71-F87 HydrophobicContact CG-CE1 3.94Å; L71-I90 HydrophobicContact CD1-CD1 3.51Å; L71-I90 HydrophobicContact CG-CD1 3.77Å; L71-L108 HydrophobicContact CD1-CD2 4.24Å; L71-I137 HydrophobicContact CD1-CD1 3.74Å; L71-I137 HydrophobicContact CD1-CG1 3.91Å; L71-I137 HydrophobicContact CD1-CG2 4.26Å; L71-I137 HydrophobicContact CD2-CG1 4.12Å
72	R	89.9	Confident	84.9	Confident	50 Å²	50	48 Å²	48	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124	172.2	-37.8	-170.6	-59	153.6	0.4	109.8	L64 D65 E81 E83 R84	L64-R72 WeakPolarHBondContact CA-O 2.92Å; D65-R72 HydrophobicContact CB-CB 4.18Å; D65-R72 HydrophobicContact CB-CG 4.46Å; D65-R72 PolarHBondContact N-O 2.87Å; D65-R72 PolarHBondContact O-N 3.48Å; D65-R72 IonicContact OD2-CZ 2.7Å; D65-R72 IonicContact OD2-NE 3.78Å; D65-R72 PolarHBondContact OD2-NE 3.01Å; D65-R72 IonicContact OD2-NH2 2.88Å; D65-R72 PolarHBondContact OD2-NH2 2.81Å; R72-E81 WeakPolarHBondContact CD-OE2 3.05Å; R72-E81 IonicContact CZ-OE2 3.52Å; R72-E81 IonicContact NE-OE2 2.68Å; R72-E81 IonicContact NH1-OE2 3.93Å; R72-E81 PolarHBondContact NH1-OE2 3.38Å; R72-E83 CarbonylContact C-O 3.59Å; R72-E83 WeakPolarHBondContact CA-O 3.44Å; R72-R84 HydrophobicContact CG-CG 4.29Å
73	F	91.8	Very high	84.8	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.7	168.8	-63.3	-87.9	0	0	0	108.6	L25 M62 L63 L64 L82 E83 Y85 L108 F123	L25-F73 HydrophobicContact CD1-CD1 4.4Å; L25-F73 HydrophobicContact CD1-CE1 3.8Å; M62-F73 HydrophobicContact CE-CB 4.37Å; M62-F73 HydrophobicContact SD-CB 4.39Å; M62-F73 HydrophobicContact SD-CD1 4.19Å; L63-F73 CarbonylContact O-C 3.56Å; L63-F73 VanDerWaalsContact O-CA 3.32Å; L63-F73 WeakPolarHBondContact O-CA 3.1Å; L64-F73 HydrophobicContact CB-CD1 4.43Å; L64-F73 HydrophobicContact CB-CE1 4.38Å; L64-F73 HydrophobicContact CD1-CD1 4.21Å; L64-F73 HydrophobicContact CD1-CE1 3.92Å; L64-F73 HydrophobicContact CD1-CE2 4.34Å; L64-F73 HydrophobicContact CD1-CZ 3.99Å; L64-F73 HydrophobicContact CD2-CE1 4.45Å; L64-F73 HydrophobicContact CG-CE1 4.47Å; F73-L82 PolarHBondContact O-N 3.42Å; F73-E83 HydrophobicContact CB-CB 4.17Å; F73-E83 HydrophobicContact CD2-CB 4.16Å; F73-E83 PolarHBondContact N-O 2.93Å; F73-E83 PolarHBondContact O-N 2.89Å; F73-E83 VanDerWaalsContact O-N 3.15Å; F73-Y85 HydrophobicContact CD2-CD2 4.12Å; F73-Y85 HydrophobicContact CD2-CE2 4.01Å; F73-Y85 AromaticContact CE2-CD2 3.88Å; F73-Y85 HydrophobicContact CE2-CD2 3.88Å; F73-Y85 AromaticContact CE2-CE2 3.94Å; F73-Y85 HydrophobicContact CE2-CE2 3.94Å; F73-L108 HydrophobicContact CE2-CD2 4.02Å; F73-L108 HydrophobicContact CZ-CD2 3.72Å; F73-F123 AromaticContact CD1-CE1 3.98Å; F73-F123 HydrophobicContact CD1-CE1 3.98Å; F73-F123 HydrophobicContact CD1-CZ 4.07Å; F73-F123 HydrophobicContact CE1-CD1 4.43Å; F73-F123 AromaticContact CE1-CE1 3.53Å; F73-F123 HydrophobicContact CE1-CE1 3.53Å; F73-F123 HydrophobicContact CE1-CE2 4.04Å; F73-F123 AromaticContact CE1-CZ 3.3Å; F73-F123 HydrophobicContact CE1-CZ 3.3Å; F73-F123 HydrophobicContact CE2-CZ 4.47Å; F73-F123 HydrophobicContact CZ-CE1 4.26Å; F73-F123 HydrophobicContact CZ-CE2 4.06Å; F73-F123 AromaticContact CZ-CZ 3.55Å; F73-F123 HydrophobicContact CZ-CZ 3.55Å
74	R	87.8	Confident	84.8	Confident	26 Å²	26	54.3 Å²	54.3	10%	0.098	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.9	-179.3	-52.9	-170.7	-67.9	115	-0.6	110.4	M62 L63 D65 E79 D80	M62-R74 CarbonylContact C-O 3.45Å; M62-R74 WeakPolarHBondContact CA-O 3.48Å; L63-R74 HydrophobicContact CB-CB 4.33Å; L63-R74 PolarHBondContact N-O 2.7Å; L63-R74 PolarHBondContact O-N 2.8Å; D65-R74 IonicContact OD1-CZ 3.37Å; D65-R74 IonicContact OD1-NE 3.99Å; D65-R74 PolarHBondContact OD1-NE 2.92Å; D65-R74 IonicContact OD1-NH2 2.77Å; D65-R74 PolarHBondContact OD1-NH2 2.86Å; D65-R74 IonicContact OD2-NE 2.66Å; R74-E79 IonicContact CZ-OE2 3.33Å; R74-E79 PolarHBondContact NH1-O 3.08Å; R74-E79 IonicContact NH1-OE2 3.91Å; R74-E79 PolarHBondContact NH1-OE2 2.59Å; R74-E79 IonicContact NH2-OE2 3.85Å; R74-E79 PolarHBondContact NH2-OE2 3.14Å; R74-D80 CarbonylContact C-O 3.46Å; R74-D80 WeakPolarHBondContact CA-O 3.48Å; R74-D80 VanDerWaalsContact CB-O 3.29Å; R74-D80 WeakPolarHBondContact CB-O 3.42Å
75	D	87	Confident	84.8	Confident	21 Å²	21	54.3 Å²	54.3	11%	0.112	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	141.8	176.5	-166.6	-96	0	0	0	110.5	Q60 S77 S78 E79 D80 L82	Q60-D75 PolarHBondContact NE2-OD2 3.31Å; D75-S77 PolarHBondContact O-N 2.79Å; D75-S77 WeakPolarHBondContact OD1-CA 3.24Å; D75-S77 WeakPolarHBondContact OD1-CB 3.33Å; D75-S77 PolarHBondContact OD1-N 2.67Å; D75-S77 PolarHBondContact OD1-OG 3.44Å; D75-S78 PolarHBondContact OD1-N 3.31Å; D75-E79 VanDerWaalsContact O-CA 3.28Å; D75-E79 WeakPolarHBondContact O-CA 3.37Å; D75-E79 PolarHBondContact O-N 2.92Å; D75-E79 VanDerWaalsContact O-N 3.12Å; D75-D80 PolarHBondContact N-O 2.81Å; D75-L82 HydrophobicContact CB-CD1 3.81Å; D75-L82 HydrophobicContact CB-CD2 4.33Å; D75-L82 HydrophobicContact CB-CG 4.09Å
76	A	78.8	Confident	84.9	Confident	27 Å²	27	55.4 Å²	55.4	22%	0.223	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	2.8	-179.3	0	0	0	0	0	114.5	K61 L63	K61-A76 HydrophobicContact CB-CB 3.88Å; K61-A76 HydrophobicContact CD-CB 3.71Å; K61-A76 HydrophobicContact CG-CB 3.55Å; K61-A76 VanDerWaalsContact O-CB 3.28Å; K61-A76 WeakPolarHBondContact O-CB 3.25Å; K61-A76 PolarHBondContact O-N 3.2Å; L63-A76 HydrophobicContact CD2-CB 4.48Å; L63-A76 HydrophobicContact CG-CB 4.32Å
77	S	73.4	Confident	84.9	Confident	111 Å²	111	54.2 Å²	54.2	78%	0.776	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-42.4	-176.8	-18.1	0	0	0	0	112.2	D75	D75-S77 PolarHBondContact O-N 2.79Å; D75-S77 WeakPolarHBondContact OD1-CA 3.24Å; D75-S77 WeakPolarHBondContact OD1-CB 3.33Å; D75-S77 PolarHBondContact OD1-N 2.67Å; D75-S77 PolarHBondContact OD1-OG 3.44Å
78	S	75.5	Confident	85.2	Confident	65 Å²	65	61.7 Å²	61.7	46%	0.455	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-8.3	177.7	68.6	0	0	0	0	114.9	D75 D80	D75-S78 PolarHBondContact OD1-N 3.31Å; S78-D80 WeakPolarHBondContact CB-OD2 3.14Å; S78-D80 PolarHBondContact O-N 3.39Å; S78-D80 VanDerWaalsContact O-N 3.08Å; S78-D80 PolarHBondContact OG-OD2 2.97Å
79	E	78.6	Confident	85.7	Confident	118 Å²	118	58 Å²	58	55%	0.551	29%	0.293	S	S	*	.			trans	60.3	5.6	-173.5	-72.5	-155.8	-124.6	0	0	116.4	L63 R74 D75	L63-E79 HydrophobicContact CD1-CG 4.16Å; R74-E79 IonicContact CZ-OE2 3.33Å; R74-E79 PolarHBondContact NH1-O 3.08Å; R74-E79 IonicContact NH1-OE2 3.91Å; R74-E79 PolarHBondContact NH1-OE2 2.59Å; R74-E79 IonicContact NH2-OE2 3.85Å; R74-E79 PolarHBondContact NH2-OE2 3.14Å; D75-E79 VanDerWaalsContact O-CA 3.28Å; D75-E79 WeakPolarHBondContact O-CA 3.37Å; D75-E79 PolarHBondContact O-N 2.92Å; D75-E79 VanDerWaalsContact O-N 3.12Å
80	D	79.6	Confident	86.1	Confident	102 Å²	102	54.6 Å²	54.6	55%	0.545	28%	0.275	S	S	.	.			trans	-58.4	145	176.6	-73.6	-54.4	0	0	0	113.1	R74 D75 S78 L82	R74-D80 CarbonylContact C-O 3.46Å; R74-D80 WeakPolarHBondContact CA-O 3.48Å; R74-D80 VanDerWaalsContact CB-O 3.29Å; R74-D80 WeakPolarHBondContact CB-O 3.42Å; D75-D80 PolarHBondContact N-O 2.81Å; S78-D80 WeakPolarHBondContact CB-OD2 3.14Å; S78-D80 PolarHBondContact O-N 3.39Å; S78-D80 VanDerWaalsContact O-N 3.08Å; S78-D80 PolarHBondContact OG-OD2 2.97Å; D80-L82 PolarHBondContact O-N 3.11Å
81	E	86.3	Confident	86.1	Confident	89 Å²	89	60.9 Å²	60.9	42%	0.416	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	93.9	176.6	-170.6	162.3	131.3	0	0	111	R72 R84	R72-E81 WeakPolarHBondContact CD-OE2 3.05Å; R72-E81 IonicContact CZ-OE2 3.52Å; R72-E81 IonicContact NE-OE2 2.68Å; R72-E81 IonicContact NH1-OE2 3.93Å; R72-E81 PolarHBondContact NH1-OE2 3.38Å; E81-R84 WeakPolarHBondContact OE1-CD 3.35Å; E81-R84 IonicContact OE1-CZ 3.31Å; E81-R84 IonicContact OE1-NE 3.9Å; E81-R84 IonicContact OE1-NH1 2.67Å; E81-R84 PolarHBondContact OE1-NH1 2.95Å; E81-R84 IonicContact OE2-NH1 3.2Å; E81-R84 PolarHBondContact OE2-NH1 2.82Å
82	L	85.8	Confident	85.9	Confident	73 Å²	73	65.2 Å²	65.2	38%	0.382	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-49.7	179.8	-66.8	177.5	0	0	0	112.2	M62 F73 D75 D80	M62-L82 HydrophobicContact CE-CB 4.31Å; M62-L82 HydrophobicContact CE-CD1 3.55Å; M62-L82 HydrophobicContact CG-CD1 4.32Å; F73-L82 PolarHBondContact O-N 3.42Å; D75-L82 HydrophobicContact CB-CD1 3.81Å; D75-L82 HydrophobicContact CB-CD2 4.33Å; D75-L82 HydrophobicContact CB-CG 4.09Å; D80-L82 PolarHBondContact O-N 3.11Å
83	E	87.6	Confident	86	Confident	37 Å²	37	63.1 Å²	63.1	17%	0.173	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.1	-178	-52.4	-166.5	165.3	0	0	112.3	R72 F73 Y85 R112 H121	R72-E83 CarbonylContact C-O 3.59Å; R72-E83 WeakPolarHBondContact CA-O 3.44Å; F73-E83 HydrophobicContact CB-CB 4.17Å; F73-E83 HydrophobicContact CD2-CB 4.16Å; F73-E83 PolarHBondContact N-O 2.93Å; F73-E83 PolarHBondContact O-N 2.89Å; F73-E83 VanDerWaalsContact O-N 3.15Å; E83-Y85 HydrophobicContact CB-CE2 3.81Å; E83-Y85 WeakPolarHBondContact OE2-CE2 3.39Å; E83-Y85 PolarHBondContact OE2-OH 3.24Å; E83-R112 IonicContact OE1-CZ 3.42Å; E83-R112 IonicContact OE1-NH1 2.67Å; E83-R112 IonicContact OE1-NH2 2.73Å; E83-R112 PolarHBondContact OE1-NH2 3.26Å; E83-R112 IonicContact OE2-CZ 3.49Å; E83-R112 IonicContact OE2-NH2 2.87Å; E83-R112 PolarHBondContact OE2-NH2 3.48Å; E83-H121 IonicContact OE2-CE1 3.25Å; E83-H121 PolarHBondContact OE2-CE1 3.08Å; E83-H121 VanDerWaalsContact OE2-CE1 3.31Å
84	R	89.8	Confident	85.8	Confident	130 Å²	130	65 Å²	65	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.4	179.6	-178.3	157.3	-174.3	177.3	-0.5	112.1	S70 L71 R72 E81	S70-R84 PolarHBondContact OG-NE 2.86Å; S70-R84 VanDerWaalsContact OG-NE 3.16Å; S70-R84 PolarHBondContact OG-NH2 2.99Å; L71-R84 WeakPolarHBondContact O-CA 3.27Å; L71-R84 WeakPolarHBondContact O-CG 3.1Å; R72-R84 HydrophobicContact CG-CG 4.29Å; E81-R84 WeakPolarHBondContact OE1-CD 3.35Å; E81-R84 IonicContact OE1-CZ 3.31Å; E81-R84 IonicContact OE1-NE 3.9Å; E81-R84 IonicContact OE1-NH1 2.67Å; E81-R84 PolarHBondContact OE1-NH1 2.95Å; E81-R84 IonicContact OE2-NH1 3.2Å; E81-R84 PolarHBondContact OE2-NH1 2.82Å
85	Y	91.5	Very high	85.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.7	-177.6	-59.3	-84.3	0	0	0	109.7	S70 L71 F73 E83 C110 R112 H121	S70-Y85 CarbonylContact C-O 3.55Å; S70-Y85 WeakPolarHBondContact CA-O 3.46Å; S70-Y85 VanDerWaalsContact CB-O 3.23Å; S70-Y85 WeakPolarHBondContact CB-O 3.4Å; L71-Y85 PolarHBondContact N-O 2.9Å; L71-Y85 PolarHBondContact O-N 2.96Å; F73-Y85 HydrophobicContact CD2-CD2 4.12Å; F73-Y85 HydrophobicContact CD2-CE2 4.01Å; F73-Y85 AromaticContact CE2-CD2 3.88Å; F73-Y85 HydrophobicContact CE2-CD2 3.88Å; F73-Y85 AromaticContact CE2-CE2 3.94Å; F73-Y85 HydrophobicContact CE2-CE2 3.94Å; E83-Y85 HydrophobicContact CB-CE2 3.81Å; E83-Y85 WeakPolarHBondContact OE2-CE2 3.39Å; E83-Y85 PolarHBondContact OE2-OH 3.24Å; Y85-C110 HydrophobicContact CD1-CB 3.63Å; Y85-C110 HydrophobicContact CE1-CB 3.96Å; Y85-C110 VanDerWaalsContact CE1-SG 3.51Å; Y85-C110 HydrophobicContact CG-CB 4.05Å; Y85-R112 HydrophobicContact CE1-CG 3.64Å; Y85-R112 PolarHBondContact OH-NE 3.44Å; Y85-R112 VanDerWaalsContact OH-NE 3.14Å; Y85-R112 PolarHBondContact OH-NH2 3.06Å; Y85-R112 VanDerWaalsContact OH-NH2 3.08Å; Y85-H121 PolarHBondContact OH-CE1 3.33Å; Y85-H121 PolarHBondContact OH-NE2 3.23Å
86	S	90.6	Very high	85.5	Confident	28 Å²	28	66.3 Å²	66.3	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	154.4	168.2	-172.5	0	0	0	0	109.9	R88 D89	S86-R88 PolarHBondContact O-N 2.93Å; S86-R88 VanDerWaalsContact O-N 3.08Å; S86-R88 PolarHBondContact OG-N 2.91Å; S86-D89 WeakPolarHBondContact CA-OD2 3.28Å; S86-D89 VanDerWaalsContact CB-CG 3.42Å; S86-D89 WeakPolarHBondContact CB-OD2 3.43Å; S86-D89 PolarHBondContact N-OD2 3.33Å; S86-D89 WeakPolarHBondContact O-CB 3.44Å; S86-D89 PolarHBondContact O-N 2.99Å
87	F	88.6	Confident	85	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.026	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.1	168.8	-67.4	-44.9	0	0	0	113.6	I66 G67 N69 L71 I90 A140 V141 V144	I66-F87 HydrophobicContact CG2-CZ 4.19Å; G67-F87 VanDerWaalsContact O-CE2 3.27Å; G67-F87 WeakPolarHBondContact O-CE2 3.4Å; G67-F87 WeakPolarHBondContact O-CZ 3.42Å; N69-F87 VanDerWaalsContact CA-CD2 3.45Å; N69-F87 PolarHBondContact O-N 3.05Å; L71-F87 HydrophobicContact CD2-CE1 3.67Å; L71-F87 HydrophobicContact CD2-CZ 4.3Å; L71-F87 HydrophobicContact CG-CE1 3.94Å; F87-I90 HydrophobicContact CD1-CD1 4.11Å; F87-A140 HydrophobicContact CD1-CB 4.22Å; F87-A140 HydrophobicContact CD2-CB 4.1Å; F87-A140 HydrophobicContact CE1-CB 3.76Å; F87-A140 HydrophobicContact CE2-CB 3.62Å; F87-A140 HydrophobicContact CG-CB 4.41Å; F87-A140 HydrophobicContact CZ-CB 3.44Å; F87-A140 VanDerWaalsContact CZ-CB 3.44Å; F87-V141 HydrophobicContact CB-CG2 4.05Å; F87-V141 HydrophobicContact CD1-CG2 3.88Å; F87-V141 HydrophobicContact CG-CG2 4.29Å; F87-V144 HydrophobicContact CB-CB 4.33Å; F87-V144 HydrophobicContact CB-CG2 4.06Å; F87-V144 HydrophobicContact CD2-CG2 3.91Å; F87-V144 HydrophobicContact CG-CG2 4.44Å
88	R	86.4	Confident	84.3	Confident	187 Å²	187	65.9 Å²	65.9	71%	0.706	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.5	169.9	-61.1	-176.3	-179.5	-173.9	-1.3	113.9	S86 V144	S86-R88 PolarHBondContact O-N 2.93Å; S86-R88 VanDerWaalsContact O-N 3.08Å; S86-R88 PolarHBondContact OG-N 2.91Å; R88-V144 HydrophobicContact CG-CG1 4.28Å
89	D	89.4	Confident	83	Confident	48 Å²	48	69.6 Å²	69.6	26%	0.257	33%	0.333	S	S	.	.	S	Bend	trans	-96.5	-0.3	-171.9	-54.6	-16.5	0	0	0	111.9	S86 C110 Q111	S86-D89 WeakPolarHBondContact CA-OD2 3.28Å; S86-D89 VanDerWaalsContact CB-CG 3.42Å; S86-D89 WeakPolarHBondContact CB-OD2 3.43Å; S86-D89 PolarHBondContact N-OD2 3.33Å; S86-D89 WeakPolarHBondContact O-CB 3.44Å; S86-D89 PolarHBondContact O-N 2.99Å; D89-C110 CarbonylContact O-C 3.5Å; D89-C110 WeakPolarHBondContact O-CA 3.46Å; D89-C110 VanDerWaalsContact O-CB 3.27Å; D89-C110 WeakPolarHBondContact O-CB 3.39Å; D89-Q111 WeakPolarHBondContact CB-O 3.19Å; D89-Q111 PolarHBondContact O-N 3.41Å
90	I	90.9	Very high	82.1	Confident	13 Å²	13	71.6 Å²	71.6	7%	0.067	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.5	-175.2	-60.5	167.7	0	0	0	108.8	L71 F87 L108 C110 I137 V141	L71-I90 HydrophobicContact CD1-CD1 3.51Å; L71-I90 HydrophobicContact CG-CD1 3.77Å; F87-I90 HydrophobicContact CD1-CD1 4.11Å; I90-L108 HydrophobicContact CG2-CD1 3.71Å; I90-C110 HydrophobicContact CG1-CB 4.09Å; I90-I137 HydrophobicContact CD1-CG2 4.41Å; I90-I137 HydrophobicContact CG2-CG2 4.32Å; I90-V141 HydrophobicContact CB-CG2 4.32Å; I90-V141 HydrophobicContact CD1-CG2 4.43Å; I90-V141 HydrophobicContact CG2-CG2 4.47Å
91	Y	86.9	Confident	81.2	Confident	147 Å²	147	70.2 Å²	70.2	58%	0.576	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	-35	-178	-67	-85.9	0	0	0	112.6	I109 Q111 P118	Y91-I109 PolarHBondContact N-O 3.45Å; Y91-Q111 HydrophobicContact CD2-CB 4.5Å; Y91-Q111 HydrophobicContact CE2-CB 3.7Å; Y91-Q111 PolarHBondContact OH-OE1 3.09Å; Y91-P118 HydrophobicContact CD2-CB 4.01Å; Y91-P118 HydrophobicContact CD2-CG 4.14Å; Y91-P118 HydrophobicContact CE2-CB 4.31Å; Y91-P118 HydrophobicContact CE2-CG 4.44Å
92	R	87.7	Confident	80.3	Confident	91 Å²	91	67.6 Å²	67.6	34%	0.343	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.9	-175.6	-165.9	174.3	175.1	-173.9	-7.7	110.3	D94 I109	R92-D94 IonicContact CZ-OD2 3.67Å; R92-D94 VanDerWaalsContact CZ-OD2 3.25Å; R92-D94 IonicContact NE-OD2 3.76Å; R92-D94 PolarHBondContact NE-OD2 2.71Å; R92-D94 IonicContact NH2-OD2 2.78Å; R92-D94 PolarHBondContact NH2-OD2 3.21Å; R92-I109 HydrophobicContact CB-CB 3.92Å; R92-I109 HydrophobicContact CB-CD1 3.88Å; R92-I109 HydrophobicContact CB-CG1 3.96Å; R92-I109 HydrophobicContact CG-CD1 4.36Å; R92-I109 PolarHBondContact N-O 3.11Å; R92-I109 PolarHBondContact O-N 3.04Å
93	C	91.6	Very high	79.1	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.7	166.3	178	0	0	0	0	106.8	L107 L108 I137 K138	C93-L107 CarbonylContact C-O 3.49Å; C93-L107 VanDerWaalsContact CA-O 3.27Å; C93-L107 WeakPolarHBondContact CA-O 3.27Å; C93-L108 HydrophobicContact CB-CD1 3.8Å; C93-I137 HydrophobicContact CB-CB 4.46Å; C93-I137 HydrophobicContact CB-CG2 3.91Å; C93-K138 WeakPolarHBondContact O-CE 3.43Å; C93-K138 PolarHBondContact O-NZ 2.81Å
94	D	87.6	Confident	78.3	Confident	40 Å²	40	68.1 Å²	68.1	21%	0.214	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.7	-179	-82.7	-35.3	0	0	0	110.9	R92 L107 K138	R92-D94 IonicContact CZ-OD2 3.67Å; R92-D94 VanDerWaalsContact CZ-OD2 3.25Å; R92-D94 IonicContact NE-OD2 3.76Å; R92-D94 PolarHBondContact NE-OD2 2.71Å; R92-D94 IonicContact NH2-OD2 2.78Å; R92-D94 PolarHBondContact NH2-OD2 3.21Å; D94-L107 HydrophobicContact CB-CB 4.41Å; D94-L107 HydrophobicContact CB-CD2 4.3Å; D94-L107 PolarHBondContact N-O 2.85Å; D94-L107 WeakPolarHBondContact O-CB 3.3Å; D94-L107 PolarHBondContact O-N 3.36Å; D94-K138 IonicContact OD1-NZ 3.75Å; D94-K138 PolarHBondContact OD1-NZ 3Å
95	T	86.6	Confident	78.1	Confident	51 Å²	51	62 Å²	62	31%	0.313	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.4	163.9	46.6	0	0	0	0	109.7	L105 A130 C134	T95-L105 CarbonylContact C-O 3.56Å; T95-L105 VanDerWaalsContact CA-O 3.31Å; T95-L105 WeakPolarHBondContact CA-O 3.49Å; T95-A130 HydrophobicContact CG2-CB 3.97Å; T95-A130 WeakPolarHBondContact CG2-O 3.49Å; T95-C134 HydrophobicContact CG2-CB 3.95Å
96	I	82.1	Confident	78	Confident	23 Å²	23	62 Å²	62	12%	0.118	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.8	176.9	-57.4	177.6	0	0	0	108.3	V41 T98 L105 L107 F122	V41-I96 HydrophobicContact CG1-CD1 4.46Å; I96-T98 HydrophobicContact CG2-CG2 3.81Å; I96-L105 HydrophobicContact CB-CB 4.31Å; I96-L105 PolarHBondContact N-O 3.45Å; I96-L105 PolarHBondContact O-N 3.11Å; I96-L107 HydrophobicContact CD1-CB 3.9Å; I96-L107 HydrophobicContact CD1-CD1 4.09Å; I96-L107 HydrophobicContact CD1-CD2 4.25Å; I96-L107 HydrophobicContact CD1-CG 4.31Å; I96-L107 HydrophobicContact CG1-CB 4.29Å; I96-F122 HydrophobicContact CD1-CE1 4.11Å
97	D	68.8	Low	78.1	Confident	113 Å²	113	60.7 Å²	60.7	60%	0.604	29%	0.293	S	S	*	.			trans	-73.6	126.1	166	-179.2	-19.4	0	0	0	108.8
98	T	59.3	Low	78.3	Confident	16 Å²	16	60.4 Å²	60.4	10%	0.098	29%	0.292	C	S	.	.			trans	-125.2	108.3	171.5	77.2	0	0	0	0	111.4	I96 K100 F102 L105	I96-T98 HydrophobicContact CG2-CG2 3.81Å; T98-K100 PolarHBondContact O-N 3.42Å; T98-F102 PolarHBondContact N-O 3.22Å; T98-F102 PolarHBondContact OG1-N 2.68Å; T98-F102 PolarHBondContact OG1-O 2.67Å; T98-L105 HydrophobicContact CG2-CD1 3.72Å; T98-L105 HydrophobicContact CG2-CG 4.42Å
99	V	47.5	Very low	78.6	Confident	143 Å²	143	51.7 Å²	51.7	87%	0.867	26%	0.26	S	S	*	.	S	Bend	trans	-63.5	8.2	-171.5	-162.3	0	0	0	0	115
100	K	58.9	Low	78.7	Confident	161 Å²	161	49.4 Å²	49.4	70%	0.7	25%	0.247	S	C	*	.	S	Bend	trans	-128.8	-41.4	-172.7	-74	-168.2	170.1	-167	0	116.6	T98	T98-K100 PolarHBondContact O-N 3.42Å
101	H	62	Low	78.6	Confident	73 Å²	73	50.6 Å²	50.6	34%	0.338	25%	0.253	S	S	.	.	S	Bend	trans	-134.6	-37	-166.3	-61.6	118.4	0	0	0	114.3	A52 D53	A52-H101 HydrophobicContact CB-CB 3.97Å; D53-H101 IonicContact OD1-CE1 2.86Å; D53-H101 PolarHBondContact OD1-CE1 2.78Å; D53-H101 IonicContact OD1-NE2 3.83Å; D53-H101 IonicContact OD2-CE1 3.29Å
102	F	67.4	Low	78.3	Confident	33 Å²	33	48 Å²	48	15%	0.145	24%	0.242	C	C	.	.			trans	-132.6	108.2	-177.3	-57.1	-71.6	0	0	0	108.8	L28 A52 L57 T98 L104 L105 N124	L28-F102 HydrophobicContact CD1-CD1 4Å; L28-F102 HydrophobicContact CD1-CD2 3.99Å; L28-F102 HydrophobicContact CD1-CE1 3.77Å; L28-F102 HydrophobicContact CD1-CE2 3.75Å; L28-F102 HydrophobicContact CD1-CG 4.11Å; L28-F102 HydrophobicContact CD1-CZ 3.64Å; L28-F102 HydrophobicContact CD2-CE1 4.02Å; L28-F102 HydrophobicContact CD2-CZ 4.18Å; A52-F102 HydrophobicContact CB-CE2 3.98Å; A52-F102 HydrophobicContact CB-CZ 4.49Å; L57-F102 HydrophobicContact CD1-CE2 3.65Å; L57-F102 HydrophobicContact CD1-CZ 3.64Å; T98-F102 PolarHBondContact N-O 3.22Å; T98-F102 PolarHBondContact OG1-N 2.68Å; T98-F102 PolarHBondContact OG1-O 2.67Å; F102-L104 VanDerWaalsContact C-N 3.29Å; F102-L104 PolarHBondContact O-N 3.24Å; F102-L105 HydrophobicContact CB-CD1 4.23Å; F102-L105 HydrophobicContact CB-CD2 3.45Å; F102-L105 VanDerWaalsContact CB-CD2 3.45Å; F102-L105 HydrophobicContact CB-CG 3.62Å; F102-L105 HydrophobicContact CD1-CD2 4.36Å; F102-L105 HydrophobicContact CD2-CD1 4.34Å; F102-L105 HydrophobicContact CD2-CD2 4Å; F102-L105 HydrophobicContact CD2-CG 4.47Å; F102-L105 HydrophobicContact CG-CD2 3.69Å; F102-L105 HydrophobicContact CG-CG 4.28Å; F102-N124 HydrophobicContact CD1-CB 4.1Å
103	P	59.7	Low	77.7	Confident	85 Å²	85	48.4 Å²	48.4	55%	0.552	26%	0.264	S	S	*	.	S	Bend	trans	-63.6	-34.8	-169.5	23.3	-32.7	0	0	0	112.5
104	L	70.9	Confident	77	Confident	37 Å²	37	56 Å²	56	19%	0.194	30%	0.304	C	S	.	.	S	Bend	trans	-140.8	116.7	167.3	-83.9	172.2	0	0	0	110.4	F102 P127 A130	F102-L104 VanDerWaalsContact C-N 3.29Å; F102-L104 PolarHBondContact O-N 3.24Å; L104-P127 HydrophobicContact CD1-CB 3.99Å; L104-P127 WeakPolarHBondContact CD1-O 3.48Å; L104-A130 HydrophobicContact CB-CB 3.96Å; L104-A130 HydrophobicContact CD1-CB 4.31Å
105	L	85.1	Confident	76.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.8	169.7	-69.9	175.3	0	0	0	110.7	L28 L48 T95 I96 T98 F102 F122 F123 N124	L28-L105 HydrophobicContact CD1-CD2 3.53Å; L48-L105 HydrophobicContact CD2-CD1 3.55Å; T95-L105 CarbonylContact C-O 3.56Å; T95-L105 VanDerWaalsContact CA-O 3.31Å; T95-L105 WeakPolarHBondContact CA-O 3.49Å; I96-L105 HydrophobicContact CB-CB 4.31Å; I96-L105 PolarHBondContact N-O 3.45Å; I96-L105 PolarHBondContact O-N 3.11Å; T98-L105 HydrophobicContact CG2-CD1 3.72Å; T98-L105 HydrophobicContact CG2-CG 4.42Å; F102-L105 HydrophobicContact CB-CD1 4.23Å; F102-L105 HydrophobicContact CB-CD2 3.45Å; F102-L105 VanDerWaalsContact CB-CD2 3.45Å; F102-L105 HydrophobicContact CB-CG 3.62Å; F102-L105 HydrophobicContact CD1-CD2 4.36Å; F102-L105 HydrophobicContact CD2-CD1 4.34Å; F102-L105 HydrophobicContact CD2-CD2 4Å; F102-L105 HydrophobicContact CD2-CG 4.47Å; F102-L105 HydrophobicContact CG-CD2 3.69Å; F102-L105 HydrophobicContact CG-CG 4.28Å; L105-F122 HydrophobicContact CD1-CD1 4.27Å; L105-F123 WeakPolarHBondContact CA-O 3.44Å; L105-N124 HydrophobicContact CD2-CB 4.43Å
106	L	89.7	Confident	76.3	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.4	163.7	-175.5	71.7	0	0	0	109.2	L25 F123 I133 C134	L25-L106 HydrophobicContact CD2-CD2 4.42Å; L106-F123 HydrophobicContact CB-CB 4.33Å; L106-F123 HydrophobicContact CD2-CD2 4.44Å; L106-F123 PolarHBondContact N-O 3.12Å; L106-F123 PolarHBondContact O-N 3.38Å; L106-I133 HydrophobicContact CD1-CG2 4.39Å; L106-I133 HydrophobicContact CD2-CB 4.48Å; L106-I133 HydrophobicContact CD2-CG2 3.63Å; L106-C134 HydrophobicContact CD1-CB 4.1Å
107	L	91.9	Very high	76.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.3	167.7	-176.2	82.6	0	0	0	109	V41 C93 D94 I96 I109 I120 F122	V41-L107 HydrophobicContact CG1-CD1 3.9Å; V41-L107 HydrophobicContact CG1-CD2 3.79Å; V41-L107 HydrophobicContact CG2-CD2 4.25Å; C93-L107 CarbonylContact C-O 3.49Å; C93-L107 VanDerWaalsContact CA-O 3.27Å; C93-L107 WeakPolarHBondContact CA-O 3.27Å; D94-L107 HydrophobicContact CB-CB 4.41Å; D94-L107 HydrophobicContact CB-CD2 4.3Å; D94-L107 PolarHBondContact N-O 2.85Å; D94-L107 WeakPolarHBondContact O-CB 3.3Å; D94-L107 PolarHBondContact O-N 3.36Å; I96-L107 HydrophobicContact CD1-CB 3.9Å; I96-L107 HydrophobicContact CD1-CD1 4.09Å; I96-L107 HydrophobicContact CD1-CD2 4.25Å; I96-L107 HydrophobicContact CD1-CG 4.31Å; I96-L107 HydrophobicContact CG1-CB 4.29Å; L107-I109 HydrophobicContact CD2-CD1 4.35Å; L107-I109 HydrophobicContact CD2-CG1 4.39Å; L107-I109 HydrophobicContact CG-CG1 4.42Å; L107-I120 HydrophobicContact CD1-CG2 3.56Å; L107-F122 HydrophobicContact CD1-CD1 4.02Å; L107-F122 HydrophobicContact CD1-CE1 3.51Å; L107-F122 HydrophobicContact CD1-CE2 4.44Å; L107-F122 HydrophobicContact CD1-CZ 3.75Å
108	L	93.4	Very high	77.3	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.6	167.2	-171.2	68.7	0	0	0	109.8	L71 F73 I90 C93 H121 F123 I137	L71-L108 HydrophobicContact CD1-CD2 4.24Å; F73-L108 HydrophobicContact CE2-CD2 4.02Å; F73-L108 HydrophobicContact CZ-CD2 3.72Å; I90-L108 HydrophobicContact CG2-CD1 3.71Å; C93-L108 HydrophobicContact CB-CD1 3.8Å; L108-H121 HydrophobicContact CB-CB 4.4Å; L108-H121 PolarHBondContact N-O 3.41Å; L108-H121 PolarHBondContact O-N 3.01Å; L108-F123 HydrophobicContact CB-CE2 4.18Å; L108-I137 HydrophobicContact CD1-CG2 4.48Å
109	I	92.7	Very high	78.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.3	174.6	-53.1	-175	0	0	0	108.2	V41 Y91 R92 L107 P118 D119 I120	V41-I109 HydrophobicContact CG2-CD1 3.55Å; Y91-I109 PolarHBondContact N-O 3.45Å; R92-I109 HydrophobicContact CB-CB 3.92Å; R92-I109 HydrophobicContact CB-CD1 3.88Å; R92-I109 HydrophobicContact CB-CG1 3.96Å; R92-I109 HydrophobicContact CG-CD1 4.36Å; R92-I109 PolarHBondContact N-O 3.11Å; R92-I109 PolarHBondContact O-N 3.04Å; L107-I109 HydrophobicContact CD2-CD1 4.35Å; L107-I109 HydrophobicContact CD2-CG1 4.39Å; L107-I109 HydrophobicContact CG-CG1 4.42Å; I109-P118 HydrophobicContact CG2-CB 3.63Å; I109-P118 HydrophobicContact CG2-CG 3.78Å; I109-D119 WeakPolarHBondContact CA-O 3.29Å; I109-I120 HydrophobicContact CD1-CG1 4.26Å; I109-I120 HydrophobicContact CG1-CG1 4.2Å; I109-I120 HydrophobicContact CG1-CG2 4.41Å
110	C	91.8	Very high	80.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.7	-175.9	48.1	0	0	0	0	112.4	Y85 D89 I90 P118 D119	Y85-C110 HydrophobicContact CD1-CB 3.63Å; Y85-C110 HydrophobicContact CE1-CB 3.96Å; Y85-C110 VanDerWaalsContact CE1-SG 3.51Å; Y85-C110 HydrophobicContact CG-CB 4.05Å; D89-C110 CarbonylContact O-C 3.5Å; D89-C110 WeakPolarHBondContact O-CA 3.46Å; D89-C110 VanDerWaalsContact O-CB 3.27Å; D89-C110 WeakPolarHBondContact O-CB 3.39Å; I90-C110 HydrophobicContact CG1-CB 4.09Å; C110-P118 CarbonylContact O-C 3.59Å; C110-P118 WeakPolarHBondContact O-CA 3.35Å; C110-P118 VanDerWaalsContact O-CB 3.31Å; C110-P118 WeakPolarHBondContact O-CB 3.22Å; C110-D119 PolarHBondContact N-O 3.01Å; C110-D119 PolarHBondContact O-N 3.25Å
111	Q	88.3	Confident	82.4	Confident	38 Å²	38	44 Å²	44	18%	0.178	23%	0.229	C	C	.	.			trans	-126.8	121.5	-174.3	-172.5	171.5	-24.4	0	0	110.4	D89 Y91 Q115 P118	D89-Q111 WeakPolarHBondContact CB-O 3.19Å; D89-Q111 PolarHBondContact O-N 3.41Å; Y91-Q111 HydrophobicContact CD2-CB 4.5Å; Y91-Q111 HydrophobicContact CE2-CB 3.7Å; Y91-Q111 PolarHBondContact OH-OE1 3.09Å; Q111-Q115 HydrophobicContact CG-CB 3.9Å; Q111-Q115 PolarHBondContact NE2-O 3.47Å; Q111-P118 HydrophobicContact CB-CB 3.97Å
112	R	81.6	Confident	83.8	Confident	94 Å²	94	40.5 Å²	40.5	36%	0.355	21%	0.213	S	C	.	.			trans	-70.3	148.8	172.1	-53.4	177.3	-156.7	-154.7	0.9	108.9	E83 Y85 N114 Q115	E83-R112 IonicContact OE1-CZ 3.42Å; E83-R112 IonicContact OE1-NH1 2.67Å; E83-R112 IonicContact OE1-NH2 2.73Å; E83-R112 PolarHBondContact OE1-NH2 3.26Å; E83-R112 IonicContact OE2-CZ 3.49Å; E83-R112 IonicContact OE2-NH2 2.87Å; E83-R112 PolarHBondContact OE2-NH2 3.48Å; Y85-R112 HydrophobicContact CE1-CG 3.64Å; Y85-R112 PolarHBondContact OH-NE 3.44Å; Y85-R112 VanDerWaalsContact OH-NE 3.14Å; Y85-R112 PolarHBondContact OH-NH2 3.06Å; Y85-R112 VanDerWaalsContact OH-NH2 3.08Å; R112-N114 PolarHBondContact O-N 2.67Å; R112-Q115 HydrophobicContact CB-CG 4.1Å; R112-Q115 WeakPolarHBondContact O-CB 3.2Å; R112-Q115 PolarHBondContact O-N 3.33Å
113	A	74.7	Confident	84.9	Confident	98 Å²	98	39 Å²	39	81%	0.81	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-21	-176	0	0	0	0	0	115.6
114	N	76.4	Confident	86.2	Confident	165 Å²	165	36.3 Å²	36.3	88%	0.882	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-2	179.7	-62.3	-7.7	0	0	0	114	R112	R112-N114 PolarHBondContact O-N 2.67Å
115	Q	79.1	Confident	86.6	Confident	35 Å²	35	35 Å²	35	16%	0.164	18%	0.182	C	C	.	.			trans	-96.4	151.9	-175.5	-67.9	177.3	-40.3	0	0	111.8	Q34 Q111 R112 D119	Q34-Q115 VanDerWaalsContact OE1-CA 3.31Å; Q111-Q115 HydrophobicContact CG-CB 3.9Å; Q111-Q115 PolarHBondContact NE2-O 3.47Å; R112-Q115 HydrophobicContact CB-CG 4.1Å; R112-Q115 WeakPolarHBondContact O-CB 3.2Å; R112-Q115 PolarHBondContact O-N 3.33Å; Q115-D119 PolarHBondContact NE2-OD1 3.47Å; Q115-D119 PolarHBondContact NE2-OD2 3.1Å
116	K	80.8	Confident	86.1	Confident	174 Å²	174	40.9 Å²	40.9	76%	0.757	21%	0.209	S	C	*	.	S	Bend	trans	-94.5	-14.6	-179.8	-71	-175.5	178.1	178.1	0	114.8
117	K	83.7	Confident	84.9	Confident	58 Å²	58	44.2 Å²	44.2	25%	0.252	23%	0.231	S	C	.	.	S	Bend	trans	-148.6	158.3	173.5	-63	-179.5	-173.6	174.9	0	107.8	L33 Q34 Y186	L33-K117 HydrophobicContact CB-CB 4.19Å; L33-K117 HydrophobicContact CB-CD 4.07Å; L33-K117 WeakPolarHBondContact O-CD 3.35Å; L33-K117 PolarHBondContact O-NZ 3.36Å; Q34-K117 HydrophobicContact CG-CB 3.77Å; Q34-K117 HydrophobicContact CG-CG 4.49Å; Q34-K117 WeakPolarHBondContact CG-O 3.41Å; K117-Y186 HydrophobicContact CD-CE1 4.3Å; K117-Y186 HydrophobicContact CG-CE1 4.16Å; K117-Y186 HydrophobicContact CG-CE2 4.05Å
118	P	88.3	Confident	83.6	Confident	17 Å²	17	52.6 Å²	52.6	11%	0.11	27%	0.272	C	S	.	.			trans	-69.5	163.1	176.3	24.9	-31	0	0	0	113.8	L33 Y91 I109 C110 Q111	L33-P118 WeakPolarHBondContact CB-O 3.45Å; L33-P118 HydrophobicContact CD1-CG 4.13Å; L33-P118 PolarHBondContact N-O 2.87Å; Y91-P118 HydrophobicContact CD2-CB 4.01Å; Y91-P118 HydrophobicContact CD2-CG 4.14Å; Y91-P118 HydrophobicContact CE2-CB 4.31Å; Y91-P118 HydrophobicContact CE2-CG 4.44Å; I109-P118 HydrophobicContact CG2-CB 3.63Å; I109-P118 HydrophobicContact CG2-CG 3.78Å; C110-P118 CarbonylContact O-C 3.59Å; C110-P118 WeakPolarHBondContact O-CA 3.35Å; C110-P118 VanDerWaalsContact O-CB 3.31Å; C110-P118 WeakPolarHBondContact O-CB 3.22Å; Q111-P118 HydrophobicContact CB-CB 3.97Å
119	D	89.8	Confident	82.6	Confident	9 Å²	9	54.7 Å²	54.7	5%	0.048	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	154.1	166	-61.8	-23.6	0	0	0	110.2	T30 F31 S32 I109 C110 Q115	T30-D119 HydrophobicContact CG2-CB 3.77Å; F31-D119 WeakPolarHBondContact O-CA 3.41Å; S32-D119 VanDerWaalsContact CA-OD1 3.3Å; S32-D119 WeakPolarHBondContact CA-OD1 3.23Å; S32-D119 WeakPolarHBondContact CB-OD1 3.15Å; I109-D119 WeakPolarHBondContact CA-O 3.29Å; C110-D119 PolarHBondContact N-O 3.01Å; C110-D119 PolarHBondContact O-N 3.25Å; Q115-D119 PolarHBondContact NE2-OD1 3.47Å; Q115-D119 PolarHBondContact NE2-OD2 3.1Å
120	I	91.2	Very high	82	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	115.2	175.9	-56	176.5	0	0	0	108.6	T30 F31 L33 V38 V41 A44 L107 I109 F122	T30-I120 CarbonylContact C-O 3.6Å; T30-I120 VanDerWaalsContact CA-O 3.31Å; T30-I120 WeakPolarHBondContact CA-O 3.47Å; F31-I120 PolarHBondContact N-O 3.36Å; F31-I120 PolarHBondContact O-N 3.34Å; L33-I120 HydrophobicContact CD1-CD1 4.13Å; L33-I120 HydrophobicContact CD1-CG1 4.1Å; L33-I120 HydrophobicContact CD2-CD1 3.98Å; L33-I120 HydrophobicContact CG-CD1 4.12Å; L33-I120 HydrophobicContact CG-CG1 4.24Å; V38-I120 HydrophobicContact CG2-CD1 4.39Å; V41-I120 HydrophobicContact CG2-CD1 4.14Å; A44-I120 HydrophobicContact CB-CD1 4.21Å; A44-I120 HydrophobicContact CB-CG2 4.46Å; L107-I120 HydrophobicContact CD1-CG2 3.56Å; I109-I120 HydrophobicContact CD1-CG1 4.26Å; I109-I120 HydrophobicContact CG1-CG1 4.2Å; I109-I120 HydrophobicContact CG1-CG2 4.41Å; I120-F122 HydrophobicContact CG2-CD2 4.41Å; I120-F122 HydrophobicContact CG2-CE2 3.82Å; I120-F122 HydrophobicContact CG2-CZ 4.13Å
121	H	91.8	Very high	81.5	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.5	178.6	-59.8	-115.6	0	0	0	110.6	T30 E83 Y85 L108 F123	T30-H121 PolarHBondContact OG1-ND1 2.56Å; E83-H121 IonicContact OE2-CE1 3.25Å; E83-H121 PolarHBondContact OE2-CE1 3.08Å; E83-H121 VanDerWaalsContact OE2-CE1 3.31Å; Y85-H121 PolarHBondContact OH-CE1 3.33Å; Y85-H121 PolarHBondContact OH-NE2 3.23Å; L108-H121 HydrophobicContact CB-CB 4.4Å; L108-H121 PolarHBondContact N-O 3.41Å; L108-H121 PolarHBondContact O-N 3.01Å; H121-F123 HydrophobicContact CB-CD2 4.38Å; H121-F123 HydrophobicContact CB-CE2 3.53Å; H121-F123 HydrophobicContact CB-CZ 3.9Å
122	F	91.3	Very high	81.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	170.5	-67.5	-86.2	0	0	0	110.6	L28 L29 F31 A44 Q45 L48 I96 L105 L107 I120	L28-F122 PolarHBondContact N-O 2.97Å; L29-F122 PolarHBondContact O-N 2.79Å; F31-F122 HydrophobicContact CD2-CD2 4.18Å; F31-F122 AromaticContact CD2-CE2 3.87Å; F31-F122 HydrophobicContact CD2-CE2 3.87Å; F31-F122 HydrophobicContact CE2-CD2 4.18Å; F31-F122 AromaticContact CE2-CE2 3.9Å; F31-F122 HydrophobicContact CE2-CE2 3.9Å; A44-F122 HydrophobicContact CB-CE2 3.78Å; A44-F122 HydrophobicContact CB-CZ 4Å; Q45-F122 HydrophobicContact CB-CE1 4.42Å; Q45-F122 HydrophobicContact CB-CZ 4.21Å; L48-F122 HydrophobicContact CD1-CB 4.35Å; L48-F122 HydrophobicContact CD1-CG 4.49Å; L48-F122 HydrophobicContact CD2-CB 3.99Å; L48-F122 HydrophobicContact CD2-CD1 3.68Å; L48-F122 HydrophobicContact CD2-CD2 4.18Å; L48-F122 HydrophobicContact CD2-CE1 4.13Å; L48-F122 HydrophobicContact CD2-CG 3.7Å; I96-F122 HydrophobicContact CD1-CE1 4.11Å; L105-F122 HydrophobicContact CD1-CD1 4.27Å; L107-F122 HydrophobicContact CD1-CD1 4.02Å; L107-F122 HydrophobicContact CD1-CE1 3.51Å; L107-F122 HydrophobicContact CD1-CE2 4.44Å; L107-F122 HydrophobicContact CD1-CZ 3.75Å; I120-F122 HydrophobicContact CG2-CD2 4.41Å; I120-F122 HydrophobicContact CG2-CE2 3.82Å; I120-F122 HydrophobicContact CG2-CZ 4.13Å
123	F	90.7	Very high	81.5	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.3	173.1	-50.5	-96.3	0	0	0	110.3	L25 Q26 H27 M62 F73 L105 L106 L108 H121	L25-F123 HydrophobicContact CB-CB 4.42Å; L25-F123 HydrophobicContact CB-CD1 4.07Å; L25-F123 HydrophobicContact CD1-CB 4.41Å; L25-F123 HydrophobicContact CD1-CD1 3.87Å; L25-F123 HydrophobicContact CD1-CE1 4.26Å; L25-F123 HydrophobicContact CD1-CG 4.06Å; L25-F123 HydrophobicContact CD2-CB 4.4Å; Q26-F123 CarbonylContact O-C 3.55Å; Q26-F123 VanDerWaalsContact O-CA 3.24Å; Q26-F123 WeakPolarHBondContact O-CA 3.42Å; H27-F123 HydrophobicContact CB-CD1 3.79Å; H27-F123 HydrophobicContact CB-CE1 3.87Å; H27-F123 AromaticContact CD2-CE1 3.67Å; M62-F123 HydrophobicContact SD-CE1 4.02Å; F73-F123 AromaticContact CD1-CE1 3.98Å; F73-F123 HydrophobicContact CD1-CE1 3.98Å; F73-F123 HydrophobicContact CD1-CZ 4.07Å; F73-F123 HydrophobicContact CE1-CD1 4.43Å; F73-F123 AromaticContact CE1-CE1 3.53Å; F73-F123 HydrophobicContact CE1-CE1 3.53Å; F73-F123 HydrophobicContact CE1-CE2 4.04Å; F73-F123 AromaticContact CE1-CZ 3.3Å; F73-F123 HydrophobicContact CE1-CZ 3.3Å; F73-F123 HydrophobicContact CE2-CZ 4.47Å; F73-F123 HydrophobicContact CZ-CE1 4.26Å; F73-F123 HydrophobicContact CZ-CE2 4.06Å; F73-F123 AromaticContact CZ-CZ 3.55Å; F73-F123 HydrophobicContact CZ-CZ 3.55Å; L105-F123 WeakPolarHBondContact CA-O 3.44Å; L106-F123 HydrophobicContact CB-CB 4.33Å; L106-F123 HydrophobicContact CD2-CD2 4.44Å; L106-F123 PolarHBondContact N-O 3.12Å; L106-F123 PolarHBondContact O-N 3.38Å; L108-F123 HydrophobicContact CB-CE2 4.18Å; H121-F123 HydrophobicContact CB-CD2 4.38Å; H121-F123 HydrophobicContact CB-CE2 3.53Å; H121-F123 HydrophobicContact CB-CZ 3.9Å
124	N	86.2	Confident	82.1	Confident	29 Å²	29	49.4 Å²	49.4	16%	0.155	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.9	160.9	-178.8	50.5	0	0	0	108.8	Q26 L28 F102 L105	Q26-N124 HydrophobicContact CB-CB 4.14Å; Q26-N124 PolarHBondContact N-O 3.15Å; Q26-N124 PolarHBondContact O-N 3.39Å; Q26-N124 PolarHBondContact OE1-ND2 2.89Å; L28-N124 HydrophobicContact CD1-CB 4.06Å; L28-N124 HydrophobicContact CD2-CB 3.97Å; L28-N124 HydrophobicContact CG-CB 4.08Å; F102-N124 HydrophobicContact CD1-CB 4.1Å; L105-N124 HydrophobicContact CD2-CB 4.43Å
125	C	80.4	Confident	82.5	Confident	10 Å²	10	44.1 Å²	44.1	7%	0.068	22%	0.216	C	C	.	.			trans	-154.5	164.5	179.3	51.9	0	0	0	0	110.7	L25 A130	L25-C125 HydrophobicContact CD2-CB 3.6Å; C125-A130 VanDerWaalsContact SG-CB 3.55Å
126	E	74.2	Confident	82.9	Confident	124 Å²	124	43.5 Å²	43.5	58%	0.579	21%	0.214	S	C	*	.			trans	-62.9	140.2	-178.3	-71.5	177.2	-176.6	0	0	111.5	M128 Q129 A130	E126-M128 PolarHBondContact O-N 3.06Å; E126-Q129 HydrophobicContact CB-CB 4.36Å; E126-Q129 HydrophobicContact CB-CG 4.04Å; E126-Q129 VanDerWaalsContact CD-NE2 3.29Å; E126-Q129 WeakPolarHBondContact O-CA 3.21Å; E126-Q129 PolarHBondContact O-N 3.04Å; E126-Q129 PolarHBondContact OE2-NE2 2.91Å; E126-A130 PolarHBondContact O-N 3.45Å
127	P	63.8	Low	83.3	Confident	71 Å²	71	35.3 Å²	35.3	46%	0.461	18%	0.179	S	C	.	.	H	α-helix	trans	-50.4	-37.2	-175.8	-34.2	37.8	0	0	0	115.7	L104	L104-P127 HydrophobicContact CD1-CB 3.99Å; L104-P127 WeakPolarHBondContact CD1-O 3.48Å
128	M	64.7	Low	83.5	Confident	176 Å²	176	36.8 Å²	36.8	87%	0.867	19%	0.185	S	C	*	.	H	α-helix	trans	-79.7	-20.6	179.3	-57.9	-167.5	-169.7	0	0	113.5	E126	E126-M128 PolarHBondContact O-N 3.06Å
129	Q	74	Confident	83.3	Confident	44 Å²	44	37.7 Å²	37.7	21%	0.206	20%	0.198	C	C	.	.	H	α-helix	trans	-85.4	-36.8	177.6	-60.7	-169.9	43.9	0	0	111.7	E126 E131 L132 I133	E126-Q129 HydrophobicContact CB-CB 4.36Å; E126-Q129 HydrophobicContact CB-CG 4.04Å; E126-Q129 VanDerWaalsContact CD-NE2 3.29Å; E126-Q129 WeakPolarHBondContact O-CA 3.21Å; E126-Q129 PolarHBondContact O-N 3.04Å; E126-Q129 PolarHBondContact OE2-NE2 2.91Å; Q129-E131 PolarHBondContact O-N 2.79Å; Q129-L132 PolarHBondContact O-N 3.22Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; Q129-I133 HydrophobicContact CB-CD1 4.1Å; Q129-I133 VanDerWaalsContact O-CG1 3.28Å; Q129-I133 WeakPolarHBondContact O-CG1 3.38Å; Q129-I133 PolarHBondContact O-N 2.84Å
130	A	79.3	Confident	83	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-54.1	-50.8	-176	0	0	0	0	0	113.7	T95 L104 C125 E126 C134	T95-A130 HydrophobicContact CG2-CB 3.97Å; T95-A130 WeakPolarHBondContact CG2-O 3.49Å; L104-A130 HydrophobicContact CB-CB 3.96Å; L104-A130 HydrophobicContact CD1-CB 4.31Å; C125-A130 VanDerWaalsContact SG-CB 3.55Å; E126-A130 PolarHBondContact O-N 3.45Å; A130-C134 WeakPolarHBondContact O-CB 3.39Å; A130-C134 PolarHBondContact O-N 2.85Å; A130-C134 VanDerWaalsContact O-N 3.15Å
131	E	80.8	Confident	82.7	Confident	74 Å²	74	39.9 Å²	39.9	35%	0.346	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-39.8	176.8	-74.5	-158.3	155.2	0	0	112.7	R7 Q129 C134 E135	R7-E131 IonicContact CZ-OE2 2.7Å; R7-E131 IonicContact NE-OE2 3.68Å; R7-E131 IonicContact NH2-OE1 2.82Å; R7-E131 PolarHBondContact NH2-OE1 2.89Å; R7-E131 IonicContact NH2-OE2 3.21Å; R7-E131 PolarHBondContact NH2-OE2 3.21Å; Q129-E131 PolarHBondContact O-N 2.79Å; E131-C134 PolarHBondContact O-N 3.15Å; E131-E135 PolarHBondContact O-N 2.69Å
132	L	82.6	Confident	82.3	Confident	43 Å²	43	43.1 Å²	43.1	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-49.7	-175.9	179.2	60.5	0	0	0	110.7	Y10 F23 Q129 C134 E135 D136	Y10-L132 HydrophobicContact CD1-CD1 4.4Å; Y10-L132 HydrophobicContact CE1-CD2 4.27Å; F23-L132 HydrophobicContact CE1-CD2 4.22Å; Q129-L132 PolarHBondContact O-N 3.22Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; L132-C134 VanDerWaalsContact C-N 3.25Å; L132-C134 PolarHBondContact O-N 2.83Å; L132-E135 PolarHBondContact O-N 3.4Å; L132-D136 WeakPolarHBondContact O-CB 3.38Å; L132-D136 VanDerWaalsContact O-CG 3.26Å; L132-D136 PolarHBondContact O-N 3.2Å
133	I	86.9	Confident	81.6	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-41.6	175.2	-64.1	165.3	0	0	0	110.1	F23 L25 L64 L106 Q129 D136 I137	F23-I133 HydrophobicContact CB-CD1 3.67Å; F23-I133 HydrophobicContact CB-CG1 4.14Å; F23-I133 HydrophobicContact CD1-CD1 3.7Å; F23-I133 HydrophobicContact CD1-CG1 3.47Å; F23-I133 VanDerWaalsContact CD1-CG1 3.47Å; F23-I133 HydrophobicContact CD2-CG1 4.05Å; F23-I133 HydrophobicContact CE1-CD1 4.48Å; F23-I133 HydrophobicContact CE1-CG1 3.79Å; F23-I133 HydrophobicContact CE2-CG1 4.34Å; F23-I133 HydrophobicContact CG-CD1 3.7Å; F23-I133 HydrophobicContact CG-CG1 3.61Å; F23-I133 HydrophobicContact CZ-CG1 4.22Å; L25-I133 HydrophobicContact CD2-CD1 3.97Å; L64-I133 HydrophobicContact CD2-CG2 3.81Å; L106-I133 HydrophobicContact CD1-CG2 4.39Å; L106-I133 HydrophobicContact CD2-CB 4.48Å; L106-I133 HydrophobicContact CD2-CG2 3.63Å; Q129-I133 HydrophobicContact CB-CD1 4.1Å; Q129-I133 VanDerWaalsContact O-CG1 3.28Å; Q129-I133 WeakPolarHBondContact O-CG1 3.38Å; Q129-I133 PolarHBondContact O-N 2.84Å; I133-D136 PolarHBondContact O-N 3.3Å; I133-I137 HydrophobicContact CG2-CD1 3.62Å; I133-I137 HydrophobicContact CG2-CG1 4.32Å; I133-I137 WeakPolarHBondContact O-CB 3.22Å; I133-I137 VanDerWaalsContact O-CG1 3.22Å; I133-I137 WeakPolarHBondContact O-CG1 3.41Å; I133-I137 PolarHBondContact O-N 2.8Å
134	C	87.9	Confident	80.7	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-44.4	177.9	-167.9	0	0	0	0	113.1	T95 L106 A130 E131 L132 D136 K138	T95-C134 HydrophobicContact CG2-CB 3.95Å; L106-C134 HydrophobicContact CD1-CB 4.1Å; A130-C134 WeakPolarHBondContact O-CB 3.39Å; A130-C134 PolarHBondContact O-N 2.85Å; A130-C134 VanDerWaalsContact O-N 3.15Å; E131-C134 PolarHBondContact O-N 3.15Å; L132-C134 VanDerWaalsContact C-N 3.25Å; L132-C134 PolarHBondContact O-N 2.83Å; C134-D136 VanDerWaalsContact C-N 3.31Å; C134-D136 PolarHBondContact O-N 3.07Å; C134-K138 VanDerWaalsContact O-CB 3.27Å; C134-K138 WeakPolarHBondContact O-CB 3.44Å; C134-K138 WeakPolarHBondContact O-CD 3.45Å; C134-K138 VanDerWaalsContact O-CG 3.3Å; C134-K138 WeakPolarHBondContact O-CG 3.29Å; C134-K138 PolarHBondContact O-N 2.92Å; C134-K138 VanDerWaalsContact O-N 3.1Å; C134-K138 PolarHBondContact SG-NZ 3.35Å
135	E	85.6	Confident	79.8	Confident	53 Å²	53	53.1 Å²	53.1	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-38.1	173.4	-81	-140.7	158.8	0	0	112	R7 K11 E131 L132 G139	R7-E135 WeakPolarHBondContact CD-OE1 3.45Å; R7-E135 IonicContact CZ-OE1 3.77Å; R7-E135 IonicContact NE-OE1 2.68Å; R7-E135 IonicContact NH1-OE1 3.65Å; R7-E135 PolarHBondContact NH1-OE1 2.79Å; K11-E135 WeakPolarHBondContact CE-OE2 3.25Å; K11-E135 IonicContact NZ-OE2 3.53Å; K11-E135 PolarHBondContact NZ-OE2 2.96Å; E131-E135 PolarHBondContact O-N 2.69Å; L132-E135 PolarHBondContact O-N 3.4Å; E135-G139 PolarHBondContact O-N 3.02Å
136	D	86.2	Confident	78.8	Confident	23 Å²	23	56.2 Å²	56.2	12%	0.123	31%	0.313	C	S	.	.	H	α-helix	trans	-72.9	-45.4	-176.5	-76.9	-30.9	0	0	0	112.7	K14 I66 L132 I133 C134 G139 A140	K14-D136 IonicContact NZ-OD1 2.7Å; K14-D136 PolarHBondContact NZ-OD1 3.08Å; K14-D136 IonicContact NZ-OD2 3.59Å; K14-D136 PolarHBondContact NZ-OD2 3.02Å; I66-D136 HydrophobicContact CD1-CB 3.79Å; L132-D136 WeakPolarHBondContact O-CB 3.38Å; L132-D136 VanDerWaalsContact O-CG 3.26Å; L132-D136 PolarHBondContact O-N 3.2Å; I133-D136 PolarHBondContact O-N 3.3Å; C134-D136 VanDerWaalsContact C-N 3.31Å; C134-D136 PolarHBondContact O-N 3.07Å; D136-G139 PolarHBondContact O-N 3.34Å; D136-A140 PolarHBondContact O-N 2.9Å
137	I	89.2	Confident	77.7	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-47.5	173.2	-66.1	169.7	0	0	0	109.6	L64 I66 L71 I90 C93 L108 I133 G139 A140 V141	L64-I137 HydrophobicContact CD2-CD1 4.42Å; I66-I137 HydrophobicContact CD1-CG1 4.17Å; L71-I137 HydrophobicContact CD1-CD1 3.74Å; L71-I137 HydrophobicContact CD1-CG1 3.91Å; L71-I137 HydrophobicContact CD1-CG2 4.26Å; L71-I137 HydrophobicContact CD2-CG1 4.12Å; I90-I137 HydrophobicContact CD1-CG2 4.41Å; I90-I137 HydrophobicContact CG2-CG2 4.32Å; C93-I137 HydrophobicContact CB-CB 4.46Å; C93-I137 HydrophobicContact CB-CG2 3.91Å; L108-I137 HydrophobicContact CD1-CG2 4.48Å; I133-I137 HydrophobicContact CG2-CD1 3.62Å; I133-I137 HydrophobicContact CG2-CG1 4.32Å; I133-I137 WeakPolarHBondContact O-CB 3.22Å; I133-I137 VanDerWaalsContact O-CG1 3.22Å; I133-I137 WeakPolarHBondContact O-CG1 3.41Å; I133-I137 PolarHBondContact O-N 2.8Å; I137-G139 VanDerWaalsContact C-N 3.3Å; I137-G139 PolarHBondContact O-N 2.94Å; I137-A140 PolarHBondContact O-N 3.04Å; I137-V141 HydrophobicContact CG2-CG2 4.33Å; I137-V141 WeakPolarHBondContact O-CB 3.38Å; I137-V141 VanDerWaalsContact O-CG2 3.29Å; I137-V141 WeakPolarHBondContact O-CG2 3.33Å; I137-V141 PolarHBondContact O-N 3.13Å
138	K	87.9	Confident	77	Confident	88 Å²	88	55 Å²	55	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-40.3	176	-79.3	170.1	164.5	147.1	0	112.2	C93 D94 C134 S142	C93-K138 WeakPolarHBondContact O-CE 3.43Å; C93-K138 PolarHBondContact O-NZ 2.81Å; D94-K138 IonicContact OD1-NZ 3.75Å; D94-K138 PolarHBondContact OD1-NZ 3Å; C134-K138 VanDerWaalsContact O-CB 3.27Å; C134-K138 WeakPolarHBondContact O-CB 3.44Å; C134-K138 WeakPolarHBondContact O-CD 3.45Å; C134-K138 VanDerWaalsContact O-CG 3.3Å; C134-K138 WeakPolarHBondContact O-CG 3.29Å; C134-K138 PolarHBondContact O-N 2.92Å; C134-K138 VanDerWaalsContact O-N 3.1Å; C134-K138 PolarHBondContact SG-NZ 3.35Å; K138-S142 VanDerWaalsContact O-CB 3.28Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.25Å; K138-S142 PolarHBondContact O-OG 3.32Å
139	G	83.9	Confident	76	Confident	37 Å²	37	54.9 Å²	54.9	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-62.2	-51.3	176.5	0	0	0	0	0	112.6	E135 D136 I137 S142 E143	E135-G139 PolarHBondContact O-N 3.02Å; D136-G139 PolarHBondContact O-N 3.34Å; I137-G139 VanDerWaalsContact C-N 3.3Å; I137-G139 PolarHBondContact O-N 2.94Å; G139-S142 WeakPolarHBondContact O-CB 3.21Å; G139-S142 PolarHBondContact O-N 2.82Å; G139-E143 PolarHBondContact O-N 2.79Å
140	A	83.5	Confident	74.2	Confident	20 Å²	20	60.9 Å²	60.9	17%	0.165	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-41.5	-177.4	0	0	0	0	0	113	F87 D136 I137 S142 E143 V144	F87-A140 HydrophobicContact CD1-CB 4.22Å; F87-A140 HydrophobicContact CD2-CB 4.1Å; F87-A140 HydrophobicContact CE1-CB 3.76Å; F87-A140 HydrophobicContact CE2-CB 3.62Å; F87-A140 HydrophobicContact CG-CB 4.41Å; F87-A140 HydrophobicContact CZ-CB 3.44Å; F87-A140 VanDerWaalsContact CZ-CB 3.44Å; D136-A140 PolarHBondContact O-N 2.9Å; I137-A140 PolarHBondContact O-N 3.04Å; A140-S142 VanDerWaalsContact C-N 3.32Å; A140-S142 PolarHBondContact O-N 3.04Å; A140-E143 PolarHBondContact O-N 3.39Å; A140-V144 PolarHBondContact O-N 3.33Å; A140-V144 VanDerWaalsContact O-N 3.09Å
141	V	85.7	Confident	71.9	Confident	36 Å²	36	65.6 Å²	65.6	22%	0.218	38%	0.384	C	S	.	.	H	α-helix	trans	-61.7	-41.4	173	174	0	0	0	0	110.9	F87 I90 I137 V144 S145	F87-V141 HydrophobicContact CB-CG2 4.05Å; F87-V141 HydrophobicContact CD1-CG2 3.88Å; F87-V141 HydrophobicContact CG-CG2 4.29Å; I90-V141 HydrophobicContact CB-CG2 4.32Å; I90-V141 HydrophobicContact CD1-CG2 4.43Å; I90-V141 HydrophobicContact CG2-CG2 4.47Å; I137-V141 HydrophobicContact CG2-CG2 4.33Å; I137-V141 WeakPolarHBondContact O-CB 3.38Å; I137-V141 VanDerWaalsContact O-CG2 3.29Å; I137-V141 WeakPolarHBondContact O-CG2 3.33Å; I137-V141 PolarHBondContact O-N 3.13Å; V141-V144 PolarHBondContact O-N 2.95Å; V141-S145 WeakPolarHBondContact O-CB 3.29Å; V141-S145 PolarHBondContact O-N 2.74Å
142	S	82.4	Confident	70.3	Confident	69 Å²	69	67.8 Å²	67.8	48%	0.483	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-44.3	175.5	-60.4	0	0	0	0	111.9	K138 G139 A140 S145 S146	K138-S142 VanDerWaalsContact O-CB 3.28Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.25Å; K138-S142 PolarHBondContact O-OG 3.32Å; G139-S142 WeakPolarHBondContact O-CB 3.21Å; G139-S142 PolarHBondContact O-N 2.82Å; A140-S142 VanDerWaalsContact C-N 3.32Å; A140-S142 PolarHBondContact O-N 3.04Å; S142-S145 PolarHBondContact O-N 3.18Å; S142-S145 PolarHBondContact O-OG 3.19Å; S142-S146 PolarHBondContact O-N 3.15Å; S142-S146 VanDerWaalsContact O-N 3.09Å
143	E	76.9	Confident	67.7	Low	143 Å²	143	73.8 Å²	73.8	67%	0.668	44%	0.437	S	S	*	.	H	α-helix	trans	-60.9	-46.7	179.1	-169.5	167.4	-174.6	0	0	111.8	G139 A140 S145 S146 S147	G139-E143 PolarHBondContact O-N 2.79Å; A140-E143 PolarHBondContact O-N 3.39Å; E143-S145 VanDerWaalsContact C-N 3.34Å; E143-S145 PolarHBondContact O-N 3.26Å; E143-S146 PolarHBondContact O-N 2.86Å; E143-S146 VanDerWaalsContact O-N 3.11Å; E143-S146 PolarHBondContact O-OG 3.25Å; E143-S147 PolarHBondContact O-N 2.86Å
144	V	73.3	Confident	65.1	Low	25 Å²	25	77.6 Å²	77.6	15%	0.152	47%	0.468	C	S	.	.	H	α-helix	trans	-62.1	-37.7	174.6	173.8	0	0	0	0	112.3	F87 R88 A140 V141 S146 S147	F87-V144 HydrophobicContact CB-CB 4.33Å; F87-V144 HydrophobicContact CB-CG2 4.06Å; F87-V144 HydrophobicContact CD2-CG2 3.91Å; F87-V144 HydrophobicContact CG-CG2 4.44Å; R88-V144 HydrophobicContact CG-CG1 4.28Å; A140-V144 PolarHBondContact O-N 3.33Å; A140-V144 VanDerWaalsContact O-N 3.09Å; V141-V144 PolarHBondContact O-N 2.95Å; V144-S146 PolarHBondContact O-N 3.24Å; V144-S147 PolarHBondContact O-OG 2.94Å
145	S	66.4	Low	62.2	Low	72 Å²	72	85.7 Å²	85.7	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-21	176	80.2	0	0	0	0	114.1	V141 S142 E143 S148	V141-S145 WeakPolarHBondContact O-CB 3.29Å; V141-S145 PolarHBondContact O-N 2.74Å; S142-S145 PolarHBondContact O-N 3.18Å; S142-S145 PolarHBondContact O-OG 3.19Å; E143-S145 VanDerWaalsContact C-N 3.34Å; E143-S145 PolarHBondContact O-N 3.26Å; S145-S148 PolarHBondContact O-OG 3.3Å
146	S	58.5	Low	59.6	Low	74 Å²	74	93.6 Å²	93.6	52%	0.517	53%	0.533	S	S	.	.	H	α-helix	trans	-88.3	-37.7	-178.5	74.1	0	0	0	0	113.3	S142 E143 V144 S148 K149	S142-S146 PolarHBondContact O-N 3.15Å; S142-S146 VanDerWaalsContact O-N 3.09Å; E143-S146 PolarHBondContact O-N 2.86Å; E143-S146 VanDerWaalsContact O-N 3.11Å; E143-S146 PolarHBondContact O-OG 3.25Å; V144-S146 PolarHBondContact O-N 3.24Å; S146-S148 VanDerWaalsContact C-N 3.33Å; S146-S148 PolarHBondContact O-N 3.09Å; S146-K149 PolarHBondContact O-N 3.07Å
147	S	51.7	Low	56.8	Low	83 Å²	83	100 Å²	100	58%	0.58	57%	0.566	S	S	*	*	H	α-helix	trans	-70.2	-24.5	-178.8	57.9	0	0	0	0	114.2	E143 V144 K149 M150	E143-S147 PolarHBondContact O-N 2.86Å; V144-S147 PolarHBondContact O-OG 2.94Å; S147-K149 PolarHBondContact O-N 2.93Å; S147-K149 VanDerWaalsContact O-N 3.11Å; S147-M150 PolarHBondContact O-N 2.67Å
148	S	48.6	Very low	53.7	Low	86 Å²	86	106.1 Å²	106.1	60%	0.601	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-5.2	177.1	62.4	0	0	0	0	115	S145 S146	S145-S148 PolarHBondContact O-OG 3.3Å; S146-S148 VanDerWaalsContact C-N 3.33Å; S146-S148 PolarHBondContact O-N 3.09Å
149	K	44.2	Very low	50.7	Low	174 Å²	174	106.9 Å²	106.9	76%	0.757	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	6.3	-179.9	-66.6	-171	176.8	-178.2	0	114.9	S146 S147	S146-K149 PolarHBondContact O-N 3.07Å; S147-K149 PolarHBondContact O-N 2.93Å; S147-K149 VanDerWaalsContact O-N 3.11Å
150	M	37.4	Very low	47.9	Very low	170 Å²	170	109.8 Å²	109.8	84%	0.837	64%	0.635	S	S	*	*			trans	-139.6	86.6	-175.6	-81	-69.4	172.4	0	0	113.8	S147	S147-M150 PolarHBondContact O-N 2.67Å
151	A	30.1	Very low	45.1	Very low	99 Å²	99	114.9 Å²	114.9	82%	0.818	66%	0.664	S	S	*	*			trans	175.3	155.1	145.9	0	0	0	0	0	110.8
152	P	46.8	Very low	42.3	Very low	120 Å²	120	119.5 Å²	119.5	78%	0.779	69%	0.686	S	S	*	*			cis	-124.3	164.4	-27.5	38.9	-26.3	0	0	0	112.2
153	D	29.3	Very low	39.7	Very low	169 Å²	169	124.1 Å²	124.1	90%	0.904	70%	0.7	S	S	*	*			trans	-160.2	173	130.6	-133.7	-33.9	0	0	0	111.7
154	A	31.6	Very low	37.9	Very low	80 Å²	80	121.9 Å²	121.9	66%	0.661	70%	0.698	S	S	*	*			trans	-116.5	163.9	-161.7	0	0	0	0	0	117
155	E	27.8	Very low	35.5	Very low	176 Å²	176	130 Å²	130	82%	0.822	73%	0.731	S	S	*	*			trans	74.4	154	159.9	-64.4	-154	166.5	0	0	122.8
156	R	29.4	Very low	33.6	Very low	220 Å²	220	131.6 Å²	131.6	83%	0.83	74%	0.742	S	S	*	*			trans	77.8	88.4	154.1	-91.6	176.8	169.2	179.4	-2	121.9
157	L	27.6	Very low	31.9	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	76%	0.756	S	S	*	*				53.8	141.9	115.2	-111.7	80	0	0	0	122.4
158	T	24.7	Very low	30.6	Very low	130 Å²	130	139.8 Å²	139.8	80%	0.798	77%	0.767	S	S	*	*			trans	90.3	106.6	157.9	64.5	0	0	0	0	121.4
159	S	25.5	Very low	30	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	77%	0.769	S	S	*	*				77.4	111	120.4	-149.2	0	0	0	0	123.1
160	S	24.7	Very low	29.2	Very low	99 Å²	99	137.9 Å²	137.9	69%	0.692	77%	0.772	S	S	*	*				79.8	139.5	124.3	64.5	0	0	0	0	123.7
161	T	24.9	Very low	29	Very low	126 Å²	126	135 Å²	135	77%	0.773	77%	0.766	S	S	*	*			trans	106.4	95.2	144.9	-49.9	0	0	0	0	119.9
162	I	27.3	Very low	28.7	Very low	134 Å²	134	137.9 Å²	137.9	69%	0.687	77%	0.767	S	S	*	*			trans	-18.7	133.3	148.4	-16.4	174.9	0	0	0	117.8
163	H	27	Very low	27.8	Very low	166 Å²	166	139.1 Å²	139.1	77%	0.769	77%	0.772	S	S	*	*				170.9	163.7	108.5	-90.9	-68.1	0	0	0	114
164	P	39.3	Very low	27.7	Very low	95 Å²	95	134.7 Å²	134.7	62%	0.617	77%	0.766	S	S	*	*			trans	-120.8	-166	-166	42.1	-28.5	0	0	0	116
165	F	23.8	Very low	27.4	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.864	77%	0.774	S	S	*	*			trans	79.5	155	-175.6	-56.8	-82.5	0	0	0	114.5
166	S	24.8	Very low	28	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	77%	0.766	S	S	*	*			cis	-149.9	-165.9	10.7	-148.7	0	0	0	0	114.2
167	L	22.6	Very low	27.8	Very low	154 Å²	154	132.9 Å²	132.9	81%	0.806	76%	0.764	S	S	*	*			trans	-75	163.5	-167.3	-59.9	87.3	0	0	0	118.3
168	H	24.5	Very low	27.8	Very low	175 Å²	175	130.4 Å²	130.4	81%	0.81	76%	0.76	S	S	*	*			trans	-13.8	168.9	148.5	-87.5	-77	0	0	0	120.7
169	P	36.4	Very low	27.8	Very low	98 Å²	98	131.3 Å²	131.3	64%	0.636	76%	0.755	S	S	*	*			cis	-144.4	146.1	-9.7	33.1	-11.4	0	0	0	118.8
170	C	27.2	Very low	27.8	Very low	121 Å²	121	130.1 Å²	130.1	82%	0.818	76%	0.76	S	S	*	*			trans	59	179.7	149	-57.7	0	0	0	0	118.6
171	P	33.9	Very low	27.8	Very low	111 Å²	111	133.2 Å²	133.2	72%	0.721	76%	0.76	S	S	*	*			cis	-129.5	165.8	-11	41.5	-26	0	0	0	116.9
172	L	24.3	Very low	27.8	Very low	159 Å²	159	134.6 Å²	134.6	83%	0.832	76%	0.76	S	S	*	*			trans	56	128.1	144.2	-70.5	171.3	0	0	0	125
173	V	27.5	Very low	28	Very low	145 Å²	145	137.9 Å²	137.9	88%	0.879	77%	0.765	S	S	*	*			trans	74	115	144.3	179	0	0	0	0	120
174	G	26.3	Very low	28.4	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	77%	0.77	S	S	*	*			trans	170.7	102.1	163.7	0	0	0	0	0	113.4
175	N	26.6	Very low	27.9	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	78%	0.776	S	S	*	*			trans	-154.1	138.7	172.1	-161.1	21.3	0	0	0	106.9
176	P	39.4	Very low	28.4	Very low	102 Å²	102	138.1 Å²	138.1	66%	0.662	76%	0.76	S	S	*	*				-149.9	-179.3	80.4	38.7	-19	0	0	0	116.1
177	K	24.7	Very low	29	Very low	181 Å²	181	140.6 Å²	140.6	79%	0.787	77%	0.765	S	S	*	*			trans	81.8	100.1	164.1	-58.8	-177.9	-175.9	-176.6	0	115.2
178	S	28.2	Very low	29.6	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	75%	0.749	S	S	*	*				92.3	140	71.5	68.5	0	0	0	0	112
179	E	24.7	Very low	29.9	Very low	149 Å²	149	134.8 Å²	134.8	70%	0.696	75%	0.746	S	S	*	*			cis	-151.8	157.9	9.3	-139.8	179	-137.1	0	0	111.3	K181	E179-K181 HydrophobicContact CG-CG 4.33Å; E179-K181 WeakPolarHBondContact OE1-CE 3.38Å; E179-K181 IonicContact OE1-NZ 2.72Å; E179-K181 PolarHBondContact OE1-NZ 2.88Å; E179-K181 WeakPolarHBondContact OE2-CE 3.34Å; E179-K181 IonicContact OE2-NZ 2.69Å; E179-K181 PolarHBondContact OE2-NZ 2.89Å
180	G	25.4	Very low	29.6	Very low	79 Å²	79	135.3 Å²	135.3	81%	0.814	75%	0.752	S	S	*	*			trans	-168.2	61.6	-177.1	0	0	0	0	0	111.8
181	K	25.4	Very low	29.9	Very low	163 Å²	163	135.2 Å²	135.2	71%	0.709	75%	0.75	S	S	*	*			trans	-68.8	132	-169.1	-72.7	168.2	174.2	137.3	0	113.1	E179	E179-K181 HydrophobicContact CG-CG 4.33Å; E179-K181 WeakPolarHBondContact OE1-CE 3.38Å; E179-K181 IonicContact OE1-NZ 2.72Å; E179-K181 PolarHBondContact OE1-NZ 2.88Å; E179-K181 WeakPolarHBondContact OE2-CE 3.34Å; E179-K181 IonicContact OE2-NZ 2.69Å; E179-K181 PolarHBondContact OE2-NZ 2.89Å
182	M	25.2	Very low	29.8	Very low	155 Å²	155	135.6 Å²	135.6	76%	0.764	75%	0.753	S	S	*	*			trans	-125.8	151.6	143.1	-160.6	163.2	-177.9	0	0	107.6
183	Y	31.3	Very low	30.3	Very low	203 Å²	203	137.3 Å²	137.3	80%	0.796	75%	0.754	S	S	*	*			trans	-79.1	147.1	-153	39.5	-95	0	0	0	115.1
184	E	34.1	Very low	30.5	Very low	186 Å²	186	136.5 Å²	136.5	87%	0.869	75%	0.751	S	S	*	*			trans	-114.5	121.8	-177.7	179.2	174.4	-122.1	0	0	108
185	L	30.2	Very low	30.7	Very low	143 Å²	143	143.5 Å²	143.5	75%	0.749	76%	0.756	S	S	*	*			trans	-159.1	143.4	170.6	-149.2	75.6	0	0	0	111.2
186	Y	33.9	Very low	30.8	Very low	135 Å²	135	140.7 Å²	140.7	53%	0.529	75%	0.754	S	S	.	*			trans	73.1	85.1	-174.9	-52.2	-57.5	0	0	0	115.3	K117 I188	K117-Y186 HydrophobicContact CD-CE1 4.3Å; K117-Y186 HydrophobicContact CG-CE1 4.16Å; K117-Y186 HydrophobicContact CG-CE2 4.05Å; Y186-I188 PolarHBondContact O-N 3.4Å
187	D	38.1	Very low	30.5	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	76%	0.759	S	S	*	*			trans	-56.8	126.1	164.7	-58.7	-91.3	0	0	0	112.3
188	I	33.7	Very low	31	Very low	91 Å²	91	140.6 Å²	140.6	47%	0.467	76%	0.763	S	S	.	*			trans	-126.1	108.5	156.9	-59.6	-179.5	0	0	0	106.1	Y186 S190	Y186-I188 PolarHBondContact O-N 3.4Å; I188-S190 PolarHBondContact O-N 3.34Å
189	P	32.1	Very low	31.3	Very low	116 Å²	116	140 Å²	140	75%	0.753	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61.1	133	-175.9	-25.5	34.9	0	0	0	112.7
190	S	30.2	Very low	31.6	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-73.4	140.7	161.6	-66.6	0	0	0	0	109.4	I188	I188-S190 PolarHBondContact O-N 3.34Å
191	P	32	Very low	31.9	Very low	119 Å²	119	140.1 Å²	140.1	77%	0.773	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.8	136.8	-177.5	25.9	-34.2	0	0	0	111.2
192	P	33.2	Very low	32.6	Very low	119 Å²	119	138.7 Å²	138.7	77%	0.773	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-69.4	146.4	177.2	29.2	-34.6	0	0	0	111.2
193	F	33.5	Very low	33.4	Very low	195 Å²	195	138.2 Å²	138.2	86%	0.855	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.8	128.3	169.6	-71.2	-90.1	0	0	0	110.1	Y195	F193-Y195 PolarHBondContact O-N 2.93Å
194	P	33	Very low	33.5	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	77%	0.765	S	S	*	*			trans	-70.7	103.1	178.6	27.5	-33.5	0	0	0	110.6	A196	P194-A196 PolarHBondContact O-N 2.94Å
195	Y	30.1	Very low	33.3	Very low	224 Å²	224	129.1 Å²	129.1	88%	0.878	75%	0.751	S	S	*	*			trans	-59.9	130.7	159.5	-98.5	-100.4	0	0	0	109.1	F193 P197	F193-Y195 PolarHBondContact O-N 2.93Å; Y195-P197 WeakPolarHBondContact O-CD 3.35Å
196	A	29	Very low	33.4	Very low	96 Å²	96	128.7 Å²	128.7	79%	0.793	76%	0.757	S	S	*	*			trans	-69.1	122.3	-178.1	0	0	0	0	0	111.4	P194 N198	P194-A196 PolarHBondContact O-N 2.94Å; A196-N198 PolarHBondContact O-N 3.38Å; A196-N198 VanDerWaalsContact O-N 3.15Å
197	P	33.2	Very low	33	Very low	120 Å²	120	132 Å²	132	78%	0.779	77%	0.77	S	S	*	*			trans	-83.7	93	-179.2	32.7	-33.6	0	0	0	111.8	Y195	Y195-P197 WeakPolarHBondContact O-CD 3.35Å
198	N	35.5	Very low	32.6	Very low	161 Å²	161	130.1 Å²	130.1	86%	0.861	77%	0.766	S	S	*	*			trans	59.2	148.8	164.5	-65.6	-33	0	0	0	118.7	A196	A196-N198 PolarHBondContact O-N 3.38Å; A196-N198 VanDerWaalsContact O-N 3.15Å
199	A	33.5	Very low	32.3	Very low	94 Å²	94	129 Å²	129	78%	0.777	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.2	141	172.7	0	0	0	0	0	110.9
200	P	31.5	Very low	32	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-69.2	152.3	-179.7	29.4	-35.7	0	0	0	111.9
201	P	31.6	Very low	31.9	Very low	117 Å²	117	136.3 Å²	136.3	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-63.6	145.7	172.4	28.5	-34.8	0	0	0	111.1	N203	P201-N203 PolarHBondContact O-N 3.37Å
202	V	39	Very low	31.8	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	79%	0.792	S	S	*	*	S	Bend	trans	-68.7	123.9	178.9	-177.3	0	0	0	0	109.6
203	N	43.8	Very low	31.8	Very low	145 Å²	145	137.4 Å²	137.4	78%	0.775	80%	0.797	S	S	*	*			trans	73.9	86	-177	-53.5	-43	0	0	0	116.8	P201	P201-N203 PolarHBondContact O-N 3.37Å
204	P	32.5	Very low	31.5	Very low	109 Å²	109	131 Å²	131	71%	0.708	79%	0.786	S	S	*	*			trans	-69.7	152	148.1	32.5	-33.8	0	0	0	110.9
205	P	29.9	Very low	31.5	Very low	90 Å²	90	131.3 Å²	131.3	58%	0.584	79%	0.788	S	S	*	*			trans	-73.7	155.8	179.2	31.1	-36.1	0	0	0	112.8	Y207	P205-Y207 HydrophobicContact CG-CD2 4.3Å; P205-Y207 HydrophobicContact CG-CE2 3.97Å; P205-Y207 PolarHBondContact O-N 2.95Å; P205-Y207 VanDerWaalsContact O-N 3.1Å
206	P	31.6	Very low	31.8	Very low	134 Å²	134	128.2 Å²	128.2	87%	0.87	79%	0.787	S	S	*	*			trans	-75.1	100.7	-178	30.6	-34.8	0	0	0	111.8
207	Y	26.2	Very low	32.1	Very low	203 Å²	203	126.3 Å²	126.3	80%	0.796	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-83.4	144.5	168.4	-88.2	-86.3	0	0	0	111.7	P205	P205-Y207 HydrophobicContact CG-CD2 4.3Å; P205-Y207 HydrophobicContact CG-CE2 3.97Å; P205-Y207 PolarHBondContact O-N 2.95Å; P205-Y207 VanDerWaalsContact O-N 3.1Å
208	P	30.3	Very low	32.2	Very low	118 Å²	118	125.3 Å²	125.3	77%	0.766	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.8	141.4	-175.1	-19.3	32.9	0	0	0	112.6
209	G	26.1	Very low	32.7	Very low	68 Å²	68	122 Å²	122	70%	0.701	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-62.2	142.3	171.9	0	0	0	0	0	112.2	K211	G209-K211 PolarHBondContact O-N 3.12Å
210	L	27	Very low	33.5	Very low	181 Å²	181	124 Å²	124	95%	0.948	75%	0.748	S	S	*	*			trans	-56.5	105.8	175.3	-79.9	156.9	0	0	0	110.7	A212	L210-A212 PolarHBondContact O-N 2.94Å
211	K	27.3	Very low	34.3	Very low	198 Å²	198	122.4 Å²	122.4	86%	0.861	74%	0.74	S	S	*	*			trans	-73.3	112.3	164.1	-73.4	-169	176.4	-174.8	0	108.4	G209 N213	G209-K211 PolarHBondContact O-N 3.12Å; K211-N213 PolarHBondContact O-N 3.06Å
212	A	30.7	Very low	35.1	Very low	96 Å²	96	123 Å²	123	79%	0.793	73%	0.731	S	S	*	*			trans	-64.5	104	165.6	0	0	0	0	0	109	L210	L210-A212 PolarHBondContact O-N 2.94Å
213	N	31.8	Very low	35.8	Very low	164 Å²	164	119.5 Å²	119.5	88%	0.877	71%	0.707	S	S	*	*			trans	-166.9	88.8	164.9	-98.1	-21.4	0	0	0	108.9	K211	K211-N213 PolarHBondContact O-N 3.06Å
214	G	27.1	Very low	36.6	Very low	60 Å²	60	117.4 Å²	117.4	62%	0.619	69%	0.688	S	S	*	*			trans	-155.6	148.4	170.3	0	0	0	0	0	108.7	N216	G214-N216 VanDerWaalsContact C-N 3.27Å; G214-N216 PolarHBondContact O-N 3.38Å
215	P	34.3	Very low	38.1	Very low	134 Å²	134	112.7 Å²	112.7	87%	0.87	66%	0.659	S	S	*	*	S	Bend	trans	-69.2	-20.5	-164.5	-21.8	34.4	0	0	0	115.2	G217	P215-G217 PolarHBondContact O-N 3.33Å
216	N	35.9	Very low	39.5	Very low	160 Å²	160	113.3 Å²	113.3	86%	0.856	65%	0.654	S	S	*	*			trans	-105.1	66.5	-166.4	-62.4	-2.4	0	0	0	112.1	G214	G214-N216 VanDerWaalsContact C-N 3.27Å; G214-N216 PolarHBondContact O-N 3.38Å
217	G	34.6	Very low	41.2	Very low	55 Å²	55	112.8 Å²	112.8	57%	0.567	63%	0.634	S	S	*	*	S	Bend	trans	-84	164	154.1	0	0	0	0	0	110.6	P215	P215-G217 PolarHBondContact O-N 3.33Å
218	P	36.2	Very low	43.6	Very low	100 Å²	100	103.4 Å²	103.4	65%	0.649	60%	0.598	S	S	*	*			trans	-61.3	138.1	164.6	29.5	-34.4	0	0	0	109	I220 L223	P218-I220 PolarHBondContact O-N 3.16Å; P218-L223 HydrophobicContact CB-CD1 3.86Å; P218-L223 HydrophobicContact CG-CD1 3.83Å
219	D	45.4	Very low	45.7	Very low	90 Å²	90	99.9 Å²	99.9	48%	0.481	57%	0.574	S	S	.	*			trans	-59.5	115.6	-174.6	173.7	29	0	0	0	111.1	S221 F222 L223	D219-S221 PolarHBondContact O-N 2.87Å; D219-S221 WeakPolarHBondContact OD1-CB 3.42Å; D219-S221 PolarHBondContact OD1-N 3.05Å; D219-S221 PolarHBondContact OD1-OG 3.06Å; D219-S221 VanDerWaalsContact OD2-CB 3.28Å; D219-S221 WeakPolarHBondContact OD2-CB 3.5Å; D219-F222 HydrophobicContact CB-CB 4.09Å; D219-F222 PolarHBondContact O-N 2.77Å; D219-F222 PolarHBondContact OD2-N 2.88Å; D219-L223 PolarHBondContact O-N 3.5Å
220	I	50	Low	48	Very low	137 Å²	137	99.2 Å²	99.2	70%	0.703	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	179.8	-63.7	163.1	0	0	0	110.2	P218 R224	P218-I220 PolarHBondContact O-N 3.16Å; I220-R224 WeakPolarHBondContact O-CB 3.41Å; I220-R224 PolarHBondContact O-N 2.85Å
221	S	49.1	Very low	50.6	Low	79 Å²	79	90.8 Å²	90.8	55%	0.552	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-49.2	175.6	-28.8	0	0	0	0	111.2	D219 R224 A225	D219-S221 PolarHBondContact O-N 2.87Å; D219-S221 WeakPolarHBondContact OD1-CB 3.42Å; D219-S221 PolarHBondContact OD1-N 3.05Å; D219-S221 PolarHBondContact OD1-OG 3.06Å; D219-S221 VanDerWaalsContact OD2-CB 3.28Å; D219-S221 WeakPolarHBondContact OD2-CB 3.5Å; S221-R224 WeakPolarHBondContact O-CB 3.32Å; S221-R224 PolarHBondContact O-N 2.96Å; S221-A225 PolarHBondContact O-N 3.08Å
222	F	49	Very low	53.2	Low	130 Å²	130	81.5 Å²	81.5	57%	0.57	47%	0.472	S	S	*	.	H	α-helix	trans	-58.8	-52.1	172.9	-176.3	-91.8	0	0	0	112.2	D219 R224 A225 E226	D219-F222 HydrophobicContact CB-CB 4.09Å; D219-F222 PolarHBondContact O-N 2.77Å; D219-F222 PolarHBondContact OD2-N 2.88Å; F222-R224 PolarHBondContact O-N 3.04Å; F222-R224 VanDerWaalsContact O-N 3.08Å; F222-A225 PolarHBondContact O-N 2.92Å; F222-A225 VanDerWaalsContact O-N 3.08Å; F222-E226 PolarHBondContact O-N 3.05Å
223	L	53.3	Low	55.6	Low	58 Å²	58	80.8 Å²	80.8	30%	0.304	46%	0.455	S	S	.	.	H	α-helix	trans	-64	-14.5	177.2	-69.9	176.8	0	0	0	113.3	P218 D219 R227	P218-L223 HydrophobicContact CB-CD1 3.86Å; P218-L223 HydrophobicContact CG-CD1 3.83Å; D219-L223 PolarHBondContact O-N 3.5Å; L223-R227 VanDerWaalsContact O-CZ 3.25Å; L223-R227 PolarHBondContact O-NE 2.81Å; L223-R227 PolarHBondContact O-NH2 2.83Å
224	R	61.2	Low	57.9	Low	101 Å²	101	74.7 Å²	74.7	38%	0.381	42%	0.421	S	S	.	.	H	α-helix	trans	-84.6	-47.9	170.8	173.7	179.5	-171.2	159.4	10.4	110.6	I220 S221 F222 E226 R227 E228 R307	I220-R224 WeakPolarHBondContact O-CB 3.41Å; I220-R224 PolarHBondContact O-N 2.85Å; S221-R224 WeakPolarHBondContact O-CB 3.32Å; S221-R224 PolarHBondContact O-N 2.96Å; F222-R224 PolarHBondContact O-N 3.04Å; F222-R224 VanDerWaalsContact O-N 3.08Å; R224-E226 PolarHBondContact O-N 2.99Å; R224-R227 PolarHBondContact O-N 2.97Å; R224-E228 WeakPolarHBondContact CG-OE1 3.31Å; R224-E228 IonicContact CZ-OE1 3.13Å; R224-E228 IonicContact NE-OE1 3.78Å; R224-E228 PolarHBondContact NE-OE1 2.98Å; R224-E228 IonicContact NH2-OE1 2.67Å; R224-E228 WeakPolarHBondContact O-CG 3.33Å; R224-E228 PolarHBondContact O-N 2.96Å; R224-R307 VanDerWaalsContact CZ-NH2 3.3Å; R224-R307 VanDerWaalsContact NE-NH2 3.12Å
225	A	62.4	Low	60.5	Low	10 Å²	10	71.9 Å²	71.9	8%	0.083	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-42.1	179.4	0	0	0	0	0	112.7	S221 F222 R227 E228 V229 L308 T311	S221-A225 PolarHBondContact O-N 3.08Å; F222-A225 PolarHBondContact O-N 2.92Å; F222-A225 VanDerWaalsContact O-N 3.08Å; A225-R227 VanDerWaalsContact C-N 3.28Å; A225-R227 PolarHBondContact O-N 3.08Å; A225-E228 CarbonylContact O-C 3.59Å; A225-E228 PolarHBondContact O-N 2.64Å; A225-E228 VanDerWaalsContact O-N 3.08Å; A225-V229 WeakPolarHBondContact O-CG2 3.18Å; A225-V229 PolarHBondContact O-N 3.18Å; A225-L308 HydrophobicContact CB-CD2 3.96Å; A225-T311 HydrophobicContact CB-CG2 3.65Å
226	E	60.2	Low	62.9	Low	104 Å²	104	67.1 Å²	67.1	49%	0.486	36%	0.358	S	S	.	.	H	α-helix	trans	-55.5	-41.8	175.3	-177.9	-177.9	-156.7	0	0	112.4	F222 R224 T230	F222-E226 PolarHBondContact O-N 3.05Å; R224-E226 PolarHBondContact O-N 2.99Å; E226-T230 WeakPolarHBondContact O-CB 3.46Å; E226-T230 PolarHBondContact O-N 3.12Å; E226-T230 PolarHBondContact O-OG1 3.08Å
227	R	66.8	Low	65	Low	122 Å²	122	64 Å²	64	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-38.5	175.1	-80	178.3	-77.6	-161.8	-7.1	112.2	L223 R224 A225 T230 I231	L223-R227 VanDerWaalsContact O-CZ 3.25Å; L223-R227 PolarHBondContact O-NE 2.81Å; L223-R227 PolarHBondContact O-NH2 2.83Å; R224-R227 PolarHBondContact O-N 2.97Å; A225-R227 VanDerWaalsContact C-N 3.28Å; A225-R227 PolarHBondContact O-N 3.08Å; R227-T230 WeakPolarHBondContact O-CB 3.27Å; R227-T230 PolarHBondContact O-N 2.9Å; R227-I231 WeakPolarHBondContact O-CD1 3.36Å; R227-I231 VanDerWaalsContact O-CG1 3.23Å; R227-I231 WeakPolarHBondContact O-CG1 3.23Å; R227-I231 PolarHBondContact O-N 2.81Å
228	E	76.6	Confident	67.4	Low	7 Å²	7	61.8 Å²	61.8	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-35.5	176.5	-70.6	179.8	-146.9	0	0	112.1	R224 A225 L232 L304 R307 L308 P413	R224-E228 WeakPolarHBondContact CG-OE1 3.31Å; R224-E228 IonicContact CZ-OE1 3.13Å; R224-E228 IonicContact NE-OE1 3.78Å; R224-E228 PolarHBondContact NE-OE1 2.98Å; R224-E228 IonicContact NH2-OE1 2.67Å; R224-E228 WeakPolarHBondContact O-CG 3.33Å; R224-E228 PolarHBondContact O-N 2.96Å; A225-E228 CarbonylContact O-C 3.59Å; A225-E228 PolarHBondContact O-N 2.64Å; A225-E228 VanDerWaalsContact O-N 3.08Å; E228-L232 WeakPolarHBondContact O-CB 3.28Å; E228-L232 PolarHBondContact O-N 2.79Å; E228-L304 HydrophobicContact CB-CD2 4.34Å; E228-L304 HydrophobicContact CG-CD2 4.34Å; E228-R307 IonicContact OE1-CZ 3.8Å; E228-R307 IonicContact OE1-NE 3.23Å; E228-R307 IonicContact OE1-NH2 2.7Å; E228-R307 PolarHBondContact OE1-NH2 3.4Å; E228-R307 WeakPolarHBondContact OE2-CB 3.49Å; E228-R307 IonicContact OE2-CZ 3.54Å; E228-R307 IonicContact OE2-NE 3.35Å; E228-R307 PolarHBondContact OE2-NE 3.46Å; E228-R307 IonicContact OE2-NH2 2.86Å; E228-R307 PolarHBondContact OE2-NH2 3.41Å; E228-L308 HydrophobicContact CB-CD1 4.37Å; E228-L308 HydrophobicContact CB-CD2 3.97Å; E228-L308 HydrophobicContact CB-CG 4.28Å; E228-P413 HydrophobicContact CG-CB 3.88Å; E228-P413 HydrophobicContact CG-CG 3.69Å
229	V	74.3	Confident	69.7	Low	43 Å²	43	57.3 Å²	57.3	26%	0.261	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-44.3	168.8	171.7	0	0	0	0	111.4	A225 I231 L232 N233 L308 I312	A225-V229 WeakPolarHBondContact O-CG2 3.18Å; A225-V229 PolarHBondContact O-N 3.18Å; V229-I231 VanDerWaalsContact C-N 3.27Å; V229-I231 PolarHBondContact O-N 2.73Å; V229-L232 WeakPolarHBondContact O-CB 3.41Å; V229-L232 PolarHBondContact O-N 3.35Å; V229-L232 VanDerWaalsContact O-N 3.15Å; V229-N233 PolarHBondContact O-N 2.59Å; V229-N233 PolarHBondContact O-OD1 3.33Å; V229-L308 HydrophobicContact CG2-CD1 3.79Å; V229-L308 HydrophobicContact CG2-CD2 3.8Å; V229-L308 HydrophobicContact CG2-CG 4.43Å; V229-I312 HydrophobicContact CG2-CG2 3.77Å
230	T	75.6	Confident	71.5	Confident	54 Å²	54	59.7 Å²	59.7	33%	0.331	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-42	178.1	-59.2	0	0	0	0	111.5	E226 R227 H234 W398	E226-T230 WeakPolarHBondContact O-CB 3.46Å; E226-T230 PolarHBondContact O-N 3.12Å; E226-T230 PolarHBondContact O-OG1 3.08Å; R227-T230 WeakPolarHBondContact O-CB 3.27Å; R227-T230 PolarHBondContact O-N 2.9Å; T230-H234 PolarHBondContact O-N 3.01Å; T230-H234 PolarHBondContact O-ND1 3.27Å; T230-W398 HydrophobicContact CG2-CH2 4.26Å; T230-W398 HydrophobicContact CG2-CZ2 3.93Å
231	I	80.5	Confident	72.9	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-66.8	-45	175.9	-64.4	163.3	0	0	0	110.9	R227 V229 N233 H234 C235 Y300 L304 F394 W398 P400 P413	R227-I231 WeakPolarHBondContact O-CD1 3.36Å; R227-I231 VanDerWaalsContact O-CG1 3.23Å; R227-I231 WeakPolarHBondContact O-CG1 3.23Å; R227-I231 PolarHBondContact O-N 2.81Å; V229-I231 VanDerWaalsContact C-N 3.27Å; V229-I231 PolarHBondContact O-N 2.73Å; I231-N233 VanDerWaalsContact C-N 3.34Å; I231-N233 PolarHBondContact O-N 3.26Å; I231-H234 PolarHBondContact O-N 2.84Å; I231-C235 PolarHBondContact O-N 2.97Å; I231-C235 VanDerWaalsContact O-N 3.14Å; I231-C235 PolarHBondContact O-SG 3.35Å; I231-Y300 HydrophobicContact CG2-CE1 3.46Å; I231-Y300 VanDerWaalsContact CG2-CE1 3.46Å; I231-L304 HydrophobicContact CB-CD1 4.12Å; I231-L304 HydrophobicContact CG2-CD1 3.59Å; I231-F394 HydrophobicContact CG2-CZ 4.16Å; I231-W398 HydrophobicContact CG1-CH2 3.68Å; I231-W398 HydrophobicContact CG1-CZ3 3.97Å; I231-P400 HydrophobicContact CD1-CG 4.47Å; I231-P400 HydrophobicContact CG1-CG 4.46Å; I231-P413 HydrophobicContact CD1-CG 4.04Å
232	L	82.1	Confident	74.7	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-43.9	179.4	179.7	65.2	0	0	0	112	E228 V229 H234 C235 F236 L304 L305 L308	E228-L232 WeakPolarHBondContact O-CB 3.28Å; E228-L232 PolarHBondContact O-N 2.79Å; V229-L232 WeakPolarHBondContact O-CB 3.41Å; V229-L232 PolarHBondContact O-N 3.35Å; V229-L232 VanDerWaalsContact O-N 3.15Å; L232-H234 VanDerWaalsContact C-N 3.34Å; L232-H234 PolarHBondContact O-N 2.78Å; L232-C235 WeakPolarHBondContact O-CB 3.48Å; L232-C235 PolarHBondContact O-N 2.83Å; L232-F236 HydrophobicContact CD1-CD1 4.45Å; L232-F236 HydrophobicContact CD1-CE1 3.73Å; L232-F236 HydrophobicContact CD1-CE2 4.17Å; L232-F236 HydrophobicContact CD1-CZ 3.58Å; L232-F236 HydrophobicContact CD2-CE2 4.11Å; L232-F236 HydrophobicContact CD2-CZ 4.08Å; L232-F236 HydrophobicContact CG-CD2 4.41Å; L232-F236 HydrophobicContact CG-CE1 4.28Å; L232-F236 HydrophobicContact CG-CE2 3.83Å; L232-F236 HydrophobicContact CG-CZ 3.76Å; L232-F236 PolarHBondContact O-N 2.89Å; L232-L304 HydrophobicContact CB-CD1 4.18Å; L232-L304 HydrophobicContact CD1-CB 4.3Å; L232-L305 HydrophobicContact CD1-CG 4.19Å; L232-L305 HydrophobicContact CD2-CD2 3.69Å; L232-L305 HydrophobicContact CD2-CG 4.16Å; L232-L308 HydrophobicContact CD2-CD1 3.98Å
233	N	81.6	Confident	76.2	Confident	81 Å²	81	48.2 Å²	48.2	43%	0.433	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-42.3	177.4	-68.4	-2.9	0	0	0	111.7	V229 I231 C235 F236 D237	V229-N233 PolarHBondContact O-N 2.59Å; V229-N233 PolarHBondContact O-OD1 3.33Å; I231-N233 VanDerWaalsContact C-N 3.34Å; I231-N233 PolarHBondContact O-N 3.26Å; N233-C235 PolarHBondContact O-N 2.89Å; N233-F236 PolarHBondContact O-N 2.86Å; N233-D237 PolarHBondContact O-N 3.2Å
234	H	80.4	Confident	77.3	Confident	36 Å²	36	47 Å²	47	17%	0.167	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-25.7	175.3	-75.6	75.1	0	0	0	113.1	T230 I231 L232 D238 F394 W398	T230-H234 PolarHBondContact O-N 3.01Å; T230-H234 PolarHBondContact O-ND1 3.27Å; I231-H234 PolarHBondContact O-N 2.84Å; L232-H234 VanDerWaalsContact C-N 3.34Å; L232-H234 PolarHBondContact O-N 2.78Å; H234-D238 PolarHBondContact O-N 2.99Å; H234-F394 HydrophobicContact CB-CD1 3.58Å; H234-F394 HydrophobicContact CB-CE1 3.53Å; H234-F394 HydrophobicContact CB-CG 4.19Å; H234-F394 HydrophobicContact CB-CZ 4.13Å; H234-F394 WeakPolarHBondContact O-CD1 3.24Å; H234-W398 HydrophobicContact CB-CE3 4.4Å; H234-W398 AromaticContact CD2-CD2 3.73Å; H234-W398 AromaticContact CD2-CE3 3.8Å; H234-W398 AromaticContact CD2-CG 3.7Å; H234-W398 AromaticContact CE1-CD2 3.94Å; H234-W398 AromaticContact CG-CE3 3.93Å; H234-W398 AromaticContact NE2-CD1 3.63Å; H234-W398 AromaticContact NE2-CD2 3.54Å; H234-W398 AromaticContact NE2-CE2 3.98Å; H234-W398 AromaticContact NE2-CG 3.34Å; H234-W398 VanDerWaalsContact NE2-CG 3.34Å
235	C	81.9	Confident	78.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-72.4	-40.3	170.3	-64.3	0	0	0	0	111.6	I231 L232 N233 I239 K297 Y300 S301	I231-C235 PolarHBondContact O-N 2.97Å; I231-C235 VanDerWaalsContact O-N 3.14Å; I231-C235 PolarHBondContact O-SG 3.35Å; L232-C235 WeakPolarHBondContact O-CB 3.48Å; L232-C235 PolarHBondContact O-N 2.83Å; N233-C235 PolarHBondContact O-N 2.89Å; C235-I239 WeakPolarHBondContact O-CB 3.34Å; C235-I239 WeakPolarHBondContact O-CD1 3.28Å; C235-I239 WeakPolarHBondContact O-CG1 3.05Å; C235-I239 PolarHBondContact O-N 2.85Å; C235-K297 HydrophobicContact CB-CB 4.5Å; C235-Y300 VanDerWaalsContact SG-CD1 3.56Å; C235-S301 VanDerWaalsContact CB-OG 3.25Å; C235-S301 WeakPolarHBondContact CB-OG 2.94Å
236	F	84.1	Confident	79	Confident	35 Å²	35	46 Å²	46	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-44.3	175.7	-63.6	-19.5	0	0	0	111.9	L232 N233 D238 I239 E240 L320 V324	L232-F236 HydrophobicContact CD1-CD1 4.45Å; L232-F236 HydrophobicContact CD1-CE1 3.73Å; L232-F236 HydrophobicContact CD1-CE2 4.17Å; L232-F236 HydrophobicContact CD1-CZ 3.58Å; L232-F236 HydrophobicContact CD2-CE2 4.11Å; L232-F236 HydrophobicContact CD2-CZ 4.08Å; L232-F236 HydrophobicContact CG-CD2 4.41Å; L232-F236 HydrophobicContact CG-CE1 4.28Å; L232-F236 HydrophobicContact CG-CE2 3.83Å; L232-F236 HydrophobicContact CG-CZ 3.76Å; L232-F236 PolarHBondContact O-N 2.89Å; N233-F236 PolarHBondContact O-N 2.86Å; F236-D238 VanDerWaalsContact C-N 3.31Å; F236-D238 PolarHBondContact O-N 3.02Å; F236-I239 PolarHBondContact O-N 2.69Å; F236-I239 VanDerWaalsContact O-N 3.16Å; F236-E240 WeakPolarHBondContact O-CB 3.14Å; F236-E240 WeakPolarHBondContact O-CG 3.39Å; F236-E240 PolarHBondContact O-N 3.06Å; F236-L320 HydrophobicContact CE2-CD1 4.45Å; F236-L320 HydrophobicContact CE2-CD2 4.21Å; F236-L320 HydrophobicContact CZ-CD2 4.49Å; F236-V324 HydrophobicContact CD1-CG2 4.42Å; F236-V324 HydrophobicContact CE1-CG2 3.49Å; F236-V324 VanDerWaalsContact CE1-CG2 3.49Å; F236-V324 HydrophobicContact CZ-CG2 3.86Å
237	D	78.8	Confident	79.8	Confident	95 Å²	95	44.1 Å²	44.1	51%	0.508	23%	0.23	S	C	.	.	H	α-helix	trans	-52	-48.3	174.9	-70.3	-29.7	0	0	0	111.9	N233 S241	N233-D237 PolarHBondContact O-N 3.2Å; D237-S241 WeakPolarHBondContact O-CB 3.37Å; D237-S241 PolarHBondContact O-N 3.3Å
238	D	86.3	Confident	80.2	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-39.1	-179.9	-82.6	5.9	0	0	0	112.1	H234 F236 F242 I294 K297 F394 L395	H234-D238 PolarHBondContact O-N 2.99Å; F236-D238 VanDerWaalsContact C-N 3.31Å; F236-D238 PolarHBondContact O-N 3.02Å; D238-F242 WeakPolarHBondContact O-CB 3.32Å; D238-F242 PolarHBondContact O-N 3.4Å; D238-I294 HydrophobicContact CB-CD1 4.41Å; D238-I294 WeakPolarHBondContact O-CD1 3.29Å; D238-K297 HydrophobicContact CB-CD 3.99Å; D238-K297 WeakPolarHBondContact OD2-CE 3.44Å; D238-K297 IonicContact OD2-NZ 3.82Å; D238-K297 PolarHBondContact OD2-NZ 2.98Å; D238-F394 VanDerWaalsContact OD2-CA 3.22Å; D238-F394 WeakPolarHBondContact OD2-CA 3.12Å; D238-L395 HydrophobicContact CB-CD1 4.19Å; D238-L395 HydrophobicContact CB-CG 4.38Å; D238-L395 VanDerWaalsContact OD1-CB 3.27Å; D238-L395 WeakPolarHBondContact OD1-CB 3.49Å; D238-L395 WeakPolarHBondContact OD1-CG 3.36Å; D238-L395 PolarHBondContact OD1-N 2.88Å; D238-L395 VanDerWaalsContact OD1-N 3.16Å; D238-L395 PolarHBondContact OD2-N 2.69Å
239	I	84.5	Confident	79.8	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-51.7	174.6	-71.2	163	0	0	0	110.4	C235 F236 S241 F242 M243 I294 K297 F298 T327	C235-I239 WeakPolarHBondContact O-CB 3.34Å; C235-I239 WeakPolarHBondContact O-CD1 3.28Å; C235-I239 WeakPolarHBondContact O-CG1 3.05Å; C235-I239 PolarHBondContact O-N 2.85Å; F236-I239 PolarHBondContact O-N 2.69Å; F236-I239 VanDerWaalsContact O-N 3.16Å; I239-S241 PolarHBondContact O-N 2.82Å; I239-F242 PolarHBondContact O-N 3Å; I239-M243 HydrophobicContact CG2-CG 4.48Å; I239-M243 WeakPolarHBondContact O-CG 3.28Å; I239-M243 PolarHBondContact O-N 3.06Å; I239-I294 HydrophobicContact CG1-CG2 4.15Å; I239-K297 HydrophobicContact CD1-CB 4.24Å; I239-K297 HydrophobicContact CG1-CB 4.26Å; I239-F298 HydrophobicContact CD1-CD1 4.07Å; I239-F298 HydrophobicContact CD1-CE1 4.15Å; I239-F298 HydrophobicContact CD1-CG 4.34Å; I239-F298 HydrophobicContact CG2-CE1 4.09Å; I239-F298 HydrophobicContact CG2-CE2 4.36Å; I239-F298 HydrophobicContact CG2-CZ 3.73Å; I239-T327 HydrophobicContact CG2-CG2 3.91Å
240	E	81.9	Confident	79.5	Confident	141 Å²	141	41 Å²	41	66%	0.659	22%	0.22	S	C	*	.	H	α-helix	trans	-63	-41.1	179.6	-71.6	-172.9	-168.3	0	0	111.8	F236 F242 M243 G244	F236-E240 WeakPolarHBondContact O-CB 3.14Å; F236-E240 WeakPolarHBondContact O-CG 3.39Å; F236-E240 PolarHBondContact O-N 3.06Å; E240-F242 VanDerWaalsContact C-N 3.32Å; E240-F242 PolarHBondContact O-N 2.82Å; E240-M243 PolarHBondContact O-N 3.29Å; E240-G244 PolarHBondContact O-N 3.16Å
241	S	80.2	Confident	79.1	Confident	76 Å²	76	42 Å²	42	53%	0.531	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-42	174.9	-163.6	0	0	0	0	111.9	D237 I239 K245	D237-S241 WeakPolarHBondContact O-CB 3.37Å; D237-S241 PolarHBondContact O-N 3.3Å; I239-S241 PolarHBondContact O-N 2.82Å; S241-K245 PolarHBondContact O-N 2.68Å
242	F	86.9	Confident	78.3	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.035	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-45.5	175.3	-177.1	-86.1	0	0	0	112.5	D238 I239 E240 G244 K245 L246 P286 E290 F291 I294 M331	D238-F242 WeakPolarHBondContact O-CB 3.32Å; D238-F242 PolarHBondContact O-N 3.4Å; I239-F242 PolarHBondContact O-N 3Å; E240-F242 VanDerWaalsContact C-N 3.32Å; E240-F242 PolarHBondContact O-N 2.82Å; F242-G244 VanDerWaalsContact C-N 3.29Å; F242-G244 PolarHBondContact O-N 2.87Å; F242-K245 WeakPolarHBondContact O-CB 3.15Å; F242-K245 PolarHBondContact O-N 2.98Å; F242-K245 VanDerWaalsContact O-N 3.1Å; F242-L246 HydrophobicContact CE1-CB 4.45Å; F242-L246 HydrophobicContact CE1-CD1 4.36Å; F242-L246 HydrophobicContact CE1-CD2 4.2Å; F242-L246 WeakPolarHBondContact O-CB 3.28Å; F242-L246 PolarHBondContact O-N 3.12Å; F242-P286 HydrophobicContact CE2-CB 3.51Å; F242-P286 HydrophobicContact CE2-CG 3.89Å; F242-P286 HydrophobicContact CZ-CB 3.74Å; F242-P286 HydrophobicContact CZ-CG 3.85Å; F242-E290 HydrophobicContact CD2-CB 4.23Å; F242-E290 HydrophobicContact CE2-CB 3.71Å; F242-F291 HydrophobicContact CE1-CD1 4.22Å; F242-F291 HydrophobicContact CE1-CE1 4.07Å; F242-F291 HydrophobicContact CE1-CZ 4.49Å; F242-F291 AromaticContact CZ-CD1 3.83Å; F242-F291 HydrophobicContact CZ-CD1 3.83Å; F242-F291 HydrophobicContact CZ-CD2 4.07Å; F242-F291 AromaticContact CZ-CE1 3.81Å; F242-F291 HydrophobicContact CZ-CE1 3.81Å; F242-F291 HydrophobicContact CZ-CE2 4.07Å; F242-F291 AromaticContact CZ-CG 3.94Å; F242-F291 HydrophobicContact CZ-CG 3.94Å; F242-F291 AromaticContact CZ-CZ 3.92Å; F242-F291 HydrophobicContact CZ-CZ 3.92Å; F242-I294 HydrophobicContact CB-CD1 3.66Å; F242-I294 HydrophobicContact CB-CG1 3.76Å; F242-I294 HydrophobicContact CD1-CG1 4.24Å; F242-I294 HydrophobicContact CD1-CG2 4.33Å; F242-I294 HydrophobicContact CD2-CD1 4.48Å; F242-I294 HydrophobicContact CD2-CG1 3.77Å; F242-I294 HydrophobicContact CE2-CG1 4.43Å; F242-I294 HydrophobicContact CG-CB 4.5Å; F242-I294 HydrophobicContact CG-CD1 4.16Å; F242-I294 HydrophobicContact CG-CG1 3.66Å; F242-I294 HydrophobicContact CG-CG2 4.49Å; F242-M331 HydrophobicContact CD1-CE 4.12Å; F242-M331 HydrophobicContact CD1-SD 4.25Å; F242-M331 HydrophobicContact CE1-CE 3.55Å; F242-M331 HydrophobicContact CE1-SD 3.6Å; F242-M331 VanDerWaalsContact CE1-SD 3.6Å; F242-M331 HydrophobicContact CZ-CE 3.98Å; F242-M331 HydrophobicContact CZ-SD 4.41Å
243	M	81.2	Confident	77.5	Confident	20 Å²	20	43.8 Å²	43.8	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-35.7	178	-57.6	-44.7	-76.8	0	0	111.5	I239 E240 L246 Q247 T327 M330 M331	I239-M243 HydrophobicContact CG2-CG 4.48Å; I239-M243 WeakPolarHBondContact O-CG 3.28Å; I239-M243 PolarHBondContact O-N 3.06Å; E240-M243 PolarHBondContact O-N 3.29Å; M243-L246 HydrophobicContact CE-CD2 3.75Å; M243-L246 WeakPolarHBondContact O-CB 3.36Å; M243-L246 PolarHBondContact O-N 3.02Å; M243-L246 HydrophobicContact SD-CD2 4.24Å; M243-Q247 PolarHBondContact O-N 2.78Å; M243-T327 HydrophobicContact CE-CG2 4.39Å; M243-T327 HydrophobicContact CG-CG2 3.57Å; M243-T327 HydrophobicContact SD-CG2 4.27Å; M243-M330 HydrophobicContact CE-CB 4.15Å; M243-M330 HydrophobicContact CE-CE 3.62Å; M243-M330 HydrophobicContact CE-CG 3.83Å; M243-M330 HydrophobicContact CE-SD 4.43Å; M243-M331 HydrophobicContact CE-CB 4.3Å; M243-M331 HydrophobicContact SD-SD 4.26Å
244	G	76.7	Confident	76.6	Confident	33 Å²	33	41.9 Å²	41.9	34%	0.34	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-30.8	172.2	0	0	0	0	0	114.1	E240 F242 Q248	E240-G244 PolarHBondContact O-N 3.16Å; F242-G244 VanDerWaalsContact C-N 3.29Å; F242-G244 PolarHBondContact O-N 2.87Å; G244-Q248 WeakPolarHBondContact O-CG 3.4Å; G244-Q248 PolarHBondContact O-N 3.5Å; G244-Q248 PolarHBondContact O-NE2 3.24Å
245	K	80.1	Confident	75.8	Confident	73 Å²	73	46.3 Å²	46.3	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-70	-43.1	169.2	-179.1	-170.1	-178.5	-172.3	0	111.2	S241 F242 Q248 T249 P286 E290	S241-K245 PolarHBondContact O-N 2.68Å; F242-K245 WeakPolarHBondContact O-CB 3.15Å; F242-K245 PolarHBondContact O-N 2.98Å; F242-K245 VanDerWaalsContact O-N 3.1Å; K245-Q248 PolarHBondContact O-N 2.63Å; K245-T249 PolarHBondContact O-N 2.98Å; K245-T249 PolarHBondContact O-OG1 2.99Å; K245-P286 HydrophobicContact CD-CG 4.29Å; K245-E290 IonicContact NZ-OE1 2.67Å; K245-E290 PolarHBondContact NZ-OE1 3.11Å; K245-E290 IonicContact NZ-OE2 3.5Å; K245-E290 PolarHBondContact NZ-OE2 2.6Å
246	L	79.3	Confident	74.5	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-44.9	-179.5	-166.9	67.6	0	0	0	111.5	F242 M243 T249 A250 P286 F291 T334	F242-L246 HydrophobicContact CE1-CB 4.45Å; F242-L246 HydrophobicContact CE1-CD1 4.36Å; F242-L246 HydrophobicContact CE1-CD2 4.2Å; F242-L246 WeakPolarHBondContact O-CB 3.28Å; F242-L246 PolarHBondContact O-N 3.12Å; M243-L246 HydrophobicContact CE-CD2 3.75Å; M243-L246 WeakPolarHBondContact O-CB 3.36Å; M243-L246 PolarHBondContact O-N 3.02Å; M243-L246 HydrophobicContact SD-CD2 4.24Å; L246-T249 WeakPolarHBondContact O-CB 3.37Å; L246-T249 PolarHBondContact O-N 2.87Å; L246-A250 PolarHBondContact O-N 3.29Å; L246-P286 HydrophobicContact CD1-CG 4.1Å; L246-F291 HydrophobicContact CD1-CE1 4.29Å; L246-F291 HydrophobicContact CD1-CZ 3.89Å; L246-T334 HydrophobicContact CD1-CG2 3.95Å; L246-T334 HydrophobicContact CD2-CG2 3.97Å; L246-T334 HydrophobicContact CG-CG2 4.25Å
247	Q	76.1	Confident	73.1	Confident	64 Å²	64	52.4 Å²	52.4	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-50.8	172.8	-176.5	66	58	0	0	111.8	M243 T249 A250 D251	M243-Q247 PolarHBondContact O-N 2.78Å; Q247-T249 PolarHBondContact O-N 2.86Å; Q247-A250 WeakPolarHBondContact O-CB 3.19Å; Q247-A250 PolarHBondContact O-N 2.75Å; Q247-D251 PolarHBondContact NE2-OD1 2.82Å; Q247-D251 VanDerWaalsContact O-CG 3.26Å; Q247-D251 PolarHBondContact O-N 2.67Å
248	Q	74.3	Confident	72	Confident	90 Å²	90	51.1 Å²	51.1	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-34.5	178.6	-79.6	173.8	86.1	0	0	113	G244 K245 A252	G244-Q248 WeakPolarHBondContact O-CG 3.4Å; G244-Q248 PolarHBondContact O-N 3.5Å; G244-Q248 PolarHBondContact O-NE2 3.24Å; K245-Q248 PolarHBondContact O-N 2.63Å; Q248-A252 VanDerWaalsContact O-CB 3.23Å; Q248-A252 WeakPolarHBondContact O-CB 3.35Å; Q248-A252 PolarHBondContact O-N 3.28Å
249	T	69.5	Low	70.2	Confident	8 Å²	8	54 Å²	54	5%	0.049	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-46.1	174.4	-55.2	0	0	0	0	110.9	K245 L246 Q247 A252 S253 P285	K245-T249 PolarHBondContact O-N 2.98Å; K245-T249 PolarHBondContact O-OG1 2.99Å; L246-T249 WeakPolarHBondContact O-CB 3.37Å; L246-T249 PolarHBondContact O-N 2.87Å; Q247-T249 PolarHBondContact O-N 2.86Å; T249-A252 PolarHBondContact O-N 2.78Å; T249-S253 WeakPolarHBondContact O-CB 3.48Å; T249-S253 PolarHBondContact O-N 3.08Å; T249-P285 HydrophobicContact CG2-CB 4.44Å
250	A	68.4	Low	68.7	Low	10 Å²	10	59.3 Å²	59.3	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-48.1	178.2	0	0	0	0	0	111.3	L246 Q247 A252 S253 N254 L658 L667	L246-A250 PolarHBondContact O-N 3.29Å; Q247-A250 WeakPolarHBondContact O-CB 3.19Å; Q247-A250 PolarHBondContact O-N 2.75Å; A250-A252 PolarHBondContact O-N 2.95Å; A250-S253 WeakPolarHBondContact O-CB 3.36Å; A250-S253 PolarHBondContact O-N 2.67Å; A250-N254 VanDerWaalsContact O-CG 3.3Å; A250-N254 PolarHBondContact O-N 3.31Å; A250-N254 PolarHBondContact O-ND2 3.25Å; A250-L658 HydrophobicContact CB-CD2 4.43Å; A250-L667 HydrophobicContact CB-CD1 4.13Å
251	D	65.7	Low	67.2	Low	73 Å²	73	53 Å²	53	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-45.4	177.6	-62.1	-21.4	0	0	0	111.8	Q247 S253 N254 L255	Q247-D251 PolarHBondContact NE2-OD1 2.82Å; Q247-D251 VanDerWaalsContact O-CG 3.26Å; Q247-D251 PolarHBondContact O-N 2.67Å; D251-S253 PolarHBondContact O-N 3.2Å; D251-N254 PolarHBondContact O-N 3.48Å; D251-L255 WeakPolarHBondContact O-CG 3.34Å; D251-L255 PolarHBondContact O-N 3.05Å; D251-L255 VanDerWaalsContact O-N 3.12Å
252	A	64.8	Low	65.7	Low	19 Å²	19	55.7 Å²	55.7	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-37	177	0	0	0	0	0	112.5	Q248 T249 A250 L256 A283	Q248-A252 VanDerWaalsContact O-CB 3.23Å; Q248-A252 WeakPolarHBondContact O-CB 3.35Å; Q248-A252 PolarHBondContact O-N 3.28Å; T249-A252 PolarHBondContact O-N 2.78Å; A250-A252 PolarHBondContact O-N 2.95Å; A252-L256 WeakPolarHBondContact O-CG 2.98Å; A252-L256 PolarHBondContact O-N 3.42Å; A252-A283 HydrophobicContact CB-CB 3.9Å
253	S	64.3	Low	64.1	Low	28 Å²	28	64.1 Å²	64.1	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-47.2	173.7	-170.9	0	0	0	0	111.6	T249 A250 D251 L255 L256 T257	T249-S253 WeakPolarHBondContact O-CB 3.48Å; T249-S253 PolarHBondContact O-N 3.08Å; A250-S253 WeakPolarHBondContact O-CB 3.36Å; A250-S253 PolarHBondContact O-N 2.67Å; D251-S253 PolarHBondContact O-N 3.2Å; S253-L255 VanDerWaalsContact C-N 3.31Å; S253-L255 PolarHBondContact O-N 2.79Å; S253-L256 WeakPolarHBondContact O-CA 3.24Å; S253-L256 WeakPolarHBondContact O-CB 3.44Å; S253-L256 PolarHBondContact O-N 2.93Å; S253-T257 PolarHBondContact O-N 2.84Å
254	N	62.7	Low	62.7	Low	41 Å²	41	70 Å²	70	22%	0.219	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-39.9	178.6	-68.9	-39.4	0	0	0	112.5	A250 D251 L256 T257 T258 L664	A250-N254 VanDerWaalsContact O-CG 3.3Å; A250-N254 PolarHBondContact O-N 3.31Å; A250-N254 PolarHBondContact O-ND2 3.25Å; D251-N254 PolarHBondContact O-N 3.48Å; N254-L256 PolarHBondContact O-N 3.18Å; N254-T257 PolarHBondContact O-N 3.28Å; N254-T257 PolarHBondContact O-OG1 3.04Å; N254-T258 WeakPolarHBondContact O-CG2 3.42Å; N254-T258 PolarHBondContact O-N 3.22Å; N254-L664 WeakPolarHBondContact ND2-CD1 3.36Å
255	L	63.5	Low	61.3	Low	129 Å²	129	73 Å²	73	68%	0.675	37%	0.369	S	S	*	.	H	α-helix	trans	-63.6	-25.7	175.1	-70	170.7	0	0	0	113.3	D251 S253 T258	D251-L255 WeakPolarHBondContact O-CG 3.34Å; D251-L255 PolarHBondContact O-N 3.05Å; D251-L255 VanDerWaalsContact O-N 3.12Å; S253-L255 VanDerWaalsContact C-N 3.31Å; S253-L255 PolarHBondContact O-N 2.79Å; L255-T258 PolarHBondContact O-OG1 3.01Å
256	L	56.1	Low	60	Low	85 Å²	85	75.7 Å²	75.7	45%	0.445	39%	0.385	S	S	.	.	H	α-helix	trans	-87.7	-31.1	178.4	-66.5	168.3	0	0	0	113.4	A252 S253 N254 L265 A283	A252-L256 WeakPolarHBondContact O-CG 2.98Å; A252-L256 PolarHBondContact O-N 3.42Å; S253-L256 WeakPolarHBondContact O-CA 3.24Å; S253-L256 WeakPolarHBondContact O-CB 3.44Å; S253-L256 PolarHBondContact O-N 2.93Å; N254-L256 PolarHBondContact O-N 3.18Å; L256-L265 HydrophobicContact CD2-CD1 4.01Å; L256-A283 HydrophobicContact CD1-CB 3.87Å
257	T	54.3	Low	58.6	Low	77 Å²	77	80.9 Å²	80.9	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-76.8	-28.8	-176.7	55.5	0	0	0	0	113.9	S253 N254 K262	S253-T257 PolarHBondContact O-N 2.84Å; N254-T257 PolarHBondContact O-N 3.28Å; N254-T257 PolarHBondContact O-OG1 3.04Å; T257-K262 VanDerWaalsContact O-CE 3.29Å; T257-K262 WeakPolarHBondContact O-CE 3.31Å; T257-K262 PolarHBondContact O-NZ 3.24Å
258	T	56.1	Low	57.1	Low	69 Å²	69	82.4 Å²	82.4	42%	0.423	42%	0.418	S	S	.	.	S	Bend	trans	-57.5	155.1	-179.7	59.6	0	0	0	0	114	N254 L255 E260 G261 K262	N254-T258 WeakPolarHBondContact O-CG2 3.42Å; N254-T258 PolarHBondContact O-N 3.22Å; L255-T258 PolarHBondContact O-OG1 3.01Å; T258-E260 PolarHBondContact O-N 3.15Å; T258-G261 PolarHBondContact O-N 3.47Å; T258-G261 PolarHBondContact OG1-N 3.17Å; T258-K262 PolarHBondContact O-N 2.93Å; T258-K262 VanDerWaalsContact O-N 3.09Å
259	A	47.9	Very low	55.7	Low	66 Å²	66	86.7 Å²	86.7	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-65.4	-17.4	177.6	0	0	0	0	0	113.9	R263	A259-R263 PolarHBondContact O-NH1 2.81Å
260	E	52.4	Low	54.9	Low	119 Å²	119	92.5 Å²	92.5	56%	0.556	47%	0.47	S	S	*	.	H	α-helix	trans	-80.4	-43.2	167.5	-67	-161.7	-179.1	0	0	112.4	T258 K262 R263 R264	T258-E260 PolarHBondContact O-N 3.15Å; E260-K262 PolarHBondContact O-N 3.27Å; E260-R263 PolarHBondContact O-N 2.85Å; E260-R263 VanDerWaalsContact O-N 3.08Å; E260-R264 PolarHBondContact O-N 3.17Å; E260-R264 IonicContact OE2-CZ 3.38Å; E260-R264 IonicContact OE2-NH2 2.67Å; E260-R264 PolarHBondContact OE2-NH2 3.17Å
261	G	50.8	Low	53.7	Low	7 Å²	7	100.1 Å²	100.1	7%	0.072	50%	0.501	C	S	.	.	H	α-helix	trans	-52.4	-45.5	174.6	0	0	0	0	0	111.3	T258 R263 R264 L265	T258-G261 PolarHBondContact O-N 3.47Å; T258-G261 PolarHBondContact OG1-N 3.17Å; G261-R263 PolarHBondContact O-N 2.82Å; G261-R264 PolarHBondContact O-N 3.11Å; G261-L265 WeakPolarHBondContact O-CB 3.46Å; G261-L265 PolarHBondContact O-N 3.19Å
262	K	48.7	Very low	52.5	Low	133 Å²	133	101.3 Å²	101.3	58%	0.578	52%	0.522	S	S	*	.	H	α-helix	trans	-62.3	-40.7	176	-67.3	173.4	-175.8	167.4	0	113.5	T257 T258 E260 L265 I266	T257-K262 VanDerWaalsContact O-CE 3.29Å; T257-K262 WeakPolarHBondContact O-CE 3.31Å; T257-K262 PolarHBondContact O-NZ 3.24Å; T258-K262 PolarHBondContact O-N 2.93Å; T258-K262 VanDerWaalsContact O-N 3.09Å; E260-K262 PolarHBondContact O-N 3.27Å; K262-L265 PolarHBondContact O-N 3.31Å; K262-I266 WeakPolarHBondContact O-CG1 3.34Å; K262-I266 PolarHBondContact O-N 2.98Å
263	R	53.9	Low	51.4	Low	185 Å²	185	103.5 Å²	103.5	70%	0.698	54%	0.536	S	S	*	.	H	α-helix	trans	-67.3	-41.8	174.7	-75.5	-175.8	176.7	92.7	-10	111.8	A259 E260 G261 L267	A259-R263 PolarHBondContact O-NH1 2.81Å; E260-R263 PolarHBondContact O-N 2.85Å; E260-R263 VanDerWaalsContact O-N 3.08Å; G261-R263 PolarHBondContact O-N 2.82Å; R263-L267 PolarHBondContact O-N 3.1Å
264	R	50.3	Low	50.6	Low	143 Å²	143	107.6 Å²	107.6	54%	0.54	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-46.8	172.7	-74.7	-178	-134	-159.3	2.6	110.6	E260 G261 I266 L267 F268	E260-R264 PolarHBondContact O-N 3.17Å; E260-R264 IonicContact OE2-CZ 3.38Å; E260-R264 IonicContact OE2-NH2 2.67Å; E260-R264 PolarHBondContact OE2-NH2 3.17Å; G261-R264 PolarHBondContact O-N 3.11Å; R264-I266 VanDerWaalsContact C-N 3.25Å; R264-I266 PolarHBondContact O-N 3.44Å; R264-L267 CarbonylContact O-C 3.55Å; R264-L267 WeakPolarHBondContact O-CA 3.38Å; R264-L267 WeakPolarHBondContact O-CB 3.31Å; R264-L267 PolarHBondContact O-N 2.76Å; R264-F268 HydrophobicContact CB-CD2 4.04Å; R264-F268 HydrophobicContact CB-CE2 4.22Å; R264-F268 WeakPolarHBondContact O-CB 3.42Å; R264-F268 VanDerWaalsContact O-CD2 3.32Å; R264-F268 WeakPolarHBondContact O-CD2 3.25Å; R264-F268 PolarHBondContact O-N 2.8Å
265	L	47.5	Very low	49.6	Very low	98 Å²	98	112.4 Å²	112.4	51%	0.513	58%	0.583	S	S	.	*	H	α-helix	trans	-58.9	-35.9	-175.9	-146.4	110.3	0	0	0	112.9	L256 G261 K262 K269	L256-L265 HydrophobicContact CD2-CD1 4.01Å; G261-L265 WeakPolarHBondContact O-CB 3.46Å; G261-L265 PolarHBondContact O-N 3.19Å; K262-L265 PolarHBondContact O-N 3.31Å; L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 3.31Å
266	I	54.4	Low	48.8	Very low	128 Å²	128	109.3 Å²	109.3	66%	0.656	57%	0.567	S	S	*	*	H	α-helix	trans	-65.2	-44.9	173.5	-65.9	166.9	0	0	0	110.9	K262 R264	K262-I266 WeakPolarHBondContact O-CG1 3.34Å; K262-I266 PolarHBondContact O-N 2.98Å; R264-I266 VanDerWaalsContact C-N 3.25Å; R264-I266 PolarHBondContact O-N 3.44Å
267	L	49	Very low	48.5	Very low	127 Å²	127	110.9 Å²	110.9	67%	0.665	58%	0.576	S	S	*	*	H	α-helix	trans	-68.6	-39.4	178.1	-166.4	70.8	0	0	0	112.7	R263 R264 V270	R263-L267 PolarHBondContact O-N 3.1Å; R264-L267 CarbonylContact O-C 3.55Å; R264-L267 WeakPolarHBondContact O-CA 3.38Å; R264-L267 WeakPolarHBondContact O-CB 3.31Å; R264-L267 PolarHBondContact O-N 2.76Å; L267-V270 PolarHBondContact O-N 3.45Å
268	F	43.8	Very low	48.5	Very low	95 Å²	95	111.7 Å²	111.7	42%	0.417	58%	0.577	S	S	.	*	H	α-helix	trans	-69.7	-30	178	-90.1	-96.5	0	0	0	112.4	R264 V270 K271	R264-F268 HydrophobicContact CB-CD2 4.04Å; R264-F268 HydrophobicContact CB-CE2 4.22Å; R264-F268 WeakPolarHBondContact O-CB 3.42Å; R264-F268 VanDerWaalsContact O-CD2 3.32Å; R264-F268 WeakPolarHBondContact O-CD2 3.25Å; R264-F268 PolarHBondContact O-N 2.8Å; F268-V270 PolarHBondContact O-N 3.5Å; F268-V270 VanDerWaalsContact O-N 3.16Å; F268-K271 CarbonylContact O-C 3.58Å; F268-K271 PolarHBondContact O-N 3.22Å
269	K	45.9	Very low	48.1	Very low	181 Å²	181	113.7 Å²	113.7	79%	0.787	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-21.3	174	-125.1	174.7	-178.9	176.6	0	113.6	L265	L265-K269 WeakPolarHBondContact O-CB 3.46Å; L265-K269 PolarHBondContact O-N 3.31Å
270	V	51.9	Low	48.4	Very low	130 Å²	130	113.6 Å²	113.6	79%	0.788	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-12.3	176.2	-175.9	0	0	0	0	111.9	L267 F268	L267-V270 PolarHBondContact O-N 3.45Å; F268-V270 PolarHBondContact O-N 3.5Å; F268-V270 VanDerWaalsContact O-N 3.16Å
271	K	42.9	Very low	48.6	Very low	169 Å²	169	114.6 Å²	114.6	74%	0.735	59%	0.588	S	S	*	*	S	Bend	trans	-144.4	58.7	-168.2	-148.9	163.3	-171.2	172.1	0	113.1	F268 S273	F268-K271 CarbonylContact O-C 3.58Å; F268-K271 PolarHBondContact O-N 3.22Å; K271-S273 PolarHBondContact O-N 2.82Å
272	A	40.8	Very low	48.6	Very low	99 Å²	99	119.5 Å²	119.5	82%	0.818	61%	0.608	S	S	*	*			trans	-55.2	131	173.5	0	0	0	0	0	111.5
273	S	42.5	Very low	48.9	Very low	64 Å²	64	114.2 Å²	114.2	45%	0.448	59%	0.589	S	S	.	*			trans	-151.1	154	175.9	60.5	0	0	0	0	110.6	K271 Q275 N276	K271-S273 PolarHBondContact O-N 2.82Å; S273-Q275 PolarHBondContact O-N 2.87Å; S273-N276 PolarHBondContact O-N 3.42Å; S273-N276 VanDerWaalsContact O-N 3.17Å
274	P	46.3	Very low	49.5	Very low	115 Å²	115	114 Å²	114	75%	0.747	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-62.5	-21.1	-167.8	-25.1	35.4	0	0	0	115.3	N276	P274-N276 PolarHBondContact O-N 2.97Å
275	Q	43.7	Very low	50.5	Low	142 Å²	142	109.7 Å²	109.7	66%	0.664	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-65	-20.3	179.8	-162.4	64.1	36.8	0	0	113	S273	S273-Q275 PolarHBondContact O-N 2.87Å
276	N	44.8	Very low	52.1	Low	63 Å²	63	105.2 Å²	105.2	34%	0.337	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-84.3	-25.6	-170.7	-152.6	43.6	0	0	0	113.8	S273 P274 L278 L279 A280	S273-N276 PolarHBondContact O-N 3.42Å; S273-N276 VanDerWaalsContact O-N 3.17Å; P274-N276 PolarHBondContact O-N 2.97Å; N276-L278 VanDerWaalsContact C-N 3.27Å; N276-L278 PolarHBondContact O-N 2.78Å; N276-L279 PolarHBondContact O-N 3.15Å; N276-A280 PolarHBondContact O-N 3.03Å
277	D	50.3	Low	53.6	Low	119 Å²	119	101.7 Å²	101.7	64%	0.636	54%	0.542	S	S	*	.	H	α-helix	trans	-59.8	-40.2	174.9	-85.9	-34.8	0	0	0	111	L279 A280 E281	D277-L279 PolarHBondContact O-N 3.32Å; D277-L279 VanDerWaalsContact O-N 3.09Å; D277-A280 PolarHBondContact O-N 3.4Å; D277-A280 VanDerWaalsContact O-N 3.12Å; D277-E281 VanDerWaalsContact O-CB 3.29Å; D277-E281 WeakPolarHBondContact O-CB 3.36Å; D277-E281 PolarHBondContact O-N 2.96Å
278	L	55	Low	55.3	Low	93 Å²	93	98.7 Å²	98.7	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-62.3	-18.7	-180	-59.7	175.7	0	0	0	114.2	N276 K282	N276-L278 VanDerWaalsContact C-N 3.27Å; N276-L278 PolarHBondContact O-N 2.78Å; L278-K282 WeakPolarHBondContact O-CG 3.46Å
279	L	47	Very low	57.3	Low	112 Å²	112	100.1 Å²	100.1	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-91.9	-39.9	174.1	-67.8	173.2	0	0	0	111.5	N276 D277 E281 K282 A283	N276-L279 PolarHBondContact O-N 3.15Å; D277-L279 PolarHBondContact O-N 3.32Å; D277-L279 VanDerWaalsContact O-N 3.09Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-K282 PolarHBondContact O-N 3.45Å; L279-A283 PolarHBondContact O-N 3.03Å; L279-A283 VanDerWaalsContact O-N 3.08Å
280	A	53.8	Low	59.4	Low	64 Å²	64	94.4 Å²	94.4	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-36.4	174.7	0	0	0	0	0	112.3	N276 D277 A283	N276-A280 PolarHBondContact O-N 3.03Å; D277-A280 PolarHBondContact O-N 3.4Å; D277-A280 VanDerWaalsContact O-N 3.12Å; A280-A283 PolarHBondContact O-N 3.19Å
281	E	56.5	Low	61.1	Low	140 Å²	140	88.3 Å²	88.3	65%	0.654	48%	0.476	S	S	*	.	H	α-helix	trans	-69.1	-36.8	176.5	-171.3	168.1	-140.1	0	0	111.9	D277 L279 R284	D277-E281 VanDerWaalsContact O-CB 3.29Å; D277-E281 WeakPolarHBondContact O-CB 3.36Å; D277-E281 PolarHBondContact O-N 2.96Å; L279-E281 VanDerWaalsContact C-N 3.34Å; E281-R284 WeakPolarHBondContact O-CB 3.07Å; E281-R284 PolarHBondContact O-N 3.09Å
282	K	51.8	Low	63.4	Low	110 Å²	110	82.9 Å²	82.9	48%	0.478	45%	0.454	S	S	.	.	H	α-helix	trans	-70.1	-28.3	172.3	-80	-172.5	172.5	-137.4	0	114.1	L278 L279 R284	L278-K282 WeakPolarHBondContact O-CG 3.46Å; L279-K282 PolarHBondContact O-N 3.45Å; K282-R284 PolarHBondContact O-N 3.28Å
283	A	54.4	Low	65.8	Low	22 Å²	22	79.7 Å²	79.7	18%	0.182	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.7	175.1	0	0	0	0	0	113.6	A252 L256 L279 A280	A252-A283 HydrophobicContact CB-CB 3.9Å; L256-A283 HydrophobicContact CD1-CB 3.87Å; L279-A283 PolarHBondContact O-N 3.03Å; L279-A283 VanDerWaalsContact O-N 3.08Å; A280-A283 PolarHBondContact O-N 3.19Å
284	R	67.4	Low	68.3	Low	180 Å²	180	76.7 Å²	76.7	68%	0.679	40%	0.402	S	S	*	.	S	Bend	trans	-76.5	124.7	179.6	-178.6	178.6	171	166.9	-2.7	110.7	E281 K282	E281-R284 WeakPolarHBondContact O-CB 3.07Å; E281-R284 PolarHBondContact O-N 3.09Å; K282-R284 PolarHBondContact O-N 3.28Å
285	P	70.5	Confident	70.6	Confident	52 Å²	52	71.2 Å²	71.2	34%	0.338	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-64.3	149	176	27.6	-35.1	0	0	0	112.2	T249 F654	T249-P285 HydrophobicContact CG2-CB 4.44Å; P285-F654 HydrophobicContact CB-CD1 3.92Å; P285-F654 HydrophobicContact CB-CE1 3.49Å; P285-F654 VanDerWaalsContact CB-CE1 3.49Å; P285-F654 HydrophobicContact CB-CZ 4.02Å; P285-F654 HydrophobicContact CG-CD1 4.41Å; P285-F654 HydrophobicContact CG-CE1 4.44Å
286	P	81.4	Confident	73.1	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.032	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-58.2	151.6	171.7	-18.8	30.6	0	0	0	111.9	F242 K245 L246 E290 F291	F242-P286 HydrophobicContact CE2-CB 3.51Å; F242-P286 HydrophobicContact CE2-CG 3.89Å; F242-P286 HydrophobicContact CZ-CB 3.74Å; F242-P286 HydrophobicContact CZ-CG 3.85Å; K245-P286 HydrophobicContact CD-CG 4.29Å; L246-P286 HydrophobicContact CD1-CG 4.1Å; P286-E290 WeakPolarHBondContact CA-OE2 3.49Å; P286-E290 HydrophobicContact CB-CB 4.41Å; P286-E290 VanDerWaalsContact CB-OE2 3.27Å; P286-E290 WeakPolarHBondContact CB-OE2 3.47Å; P286-F291 HydrophobicContact CB-CD2 4.19Å; P286-F291 HydrophobicContact CB-CE2 3.72Å; P286-F291 HydrophobicContact CB-CZ 4.39Å; P286-F291 HydrophobicContact CG-CE2 4.15Å; P286-F291 HydrophobicContact CG-CZ 4.37Å
287	S	85.6	Confident	75.4	Confident	53 Å²	53	63.5 Å²	63.5	37%	0.371	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-81.4	155.6	177.8	39.6	0	0	0	0	112.4	D289 E290 F291	S287-D289 PolarHBondContact O-N 3.46Å; S287-D289 VanDerWaalsContact O-N 3.17Å; S287-E290 PolarHBondContact N-OE2 2.99Å; S287-E290 WeakPolarHBondContact O-CA 3.47Å; S287-E290 WeakPolarHBondContact O-CB 3.23Å; S287-E290 PolarHBondContact O-N 3.44Å; S287-E290 PolarHBondContact OG-OE2 3.32Å; S287-F291 WeakPolarHBondContact O-CD2 3.07Å; S287-F291 PolarHBondContact O-N 3.12Å; S287-F291 VanDerWaalsContact O-N 3.17Å
288	E	84.8	Confident	77.6	Confident	65 Å²	65	57.9 Å²	57.9	30%	0.304	30%	0.298	S	S	.	.	H	α-helix	trans	-51.6	-39.4	179.3	-67.9	176.9	-130	0	0	112.5	E290 F291 I292 F340 F650	E288-E290 VanDerWaalsContact C-N 3.31Å; E288-E290 PolarHBondContact O-N 2.89Å; E288-F291 PolarHBondContact O-N 3.27Å; E288-I292 VanDerWaalsContact O-CG1 3.3Å; E288-I292 WeakPolarHBondContact O-CG1 3.5Å; E288-I292 PolarHBondContact O-N 2.89Å; E288-F340 HydrophobicContact CB-CZ 4.38Å; E288-F340 HydrophobicContact CG-CE2 4.47Å; E288-F650 HydrophobicContact CG-CD2 4.5Å; E288-F650 HydrophobicContact CG-CE1 3.89Å; E288-F650 HydrophobicContact CG-CE2 3.87Å; E288-F650 HydrophobicContact CG-CZ 3.53Å
289	D	87	Confident	79.6	Confident	124 Å²	124	53.4 Å²	53.4	66%	0.663	28%	0.275	S	S	*	.	H	α-helix	trans	-60.1	-35.4	174.9	-58.2	-55.2	0	0	0	113.6	S287 D293	S287-D289 PolarHBondContact O-N 3.46Å; S287-D289 VanDerWaalsContact O-N 3.17Å; D289-D293 WeakPolarHBondContact O-CB 3.2Å; D289-D293 PolarHBondContact O-N 3.23Å
290	E	88.3	Confident	81.9	Confident	61 Å²	61	48.1 Å²	48.1	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-73.6	-38.1	176.8	-60.6	178.3	116.9	0	0	110.6	F242 K245 P286 S287 E288 I294	F242-E290 HydrophobicContact CD2-CB 4.23Å; F242-E290 HydrophobicContact CE2-CB 3.71Å; K245-E290 IonicContact NZ-OE1 2.67Å; K245-E290 PolarHBondContact NZ-OE1 3.11Å; K245-E290 IonicContact NZ-OE2 3.5Å; K245-E290 PolarHBondContact NZ-OE2 2.6Å; P286-E290 WeakPolarHBondContact CA-OE2 3.49Å; P286-E290 HydrophobicContact CB-CB 4.41Å; P286-E290 VanDerWaalsContact CB-OE2 3.27Å; P286-E290 WeakPolarHBondContact CB-OE2 3.47Å; S287-E290 PolarHBondContact N-OE2 2.99Å; S287-E290 WeakPolarHBondContact O-CA 3.47Å; S287-E290 WeakPolarHBondContact O-CB 3.23Å; S287-E290 PolarHBondContact O-N 3.44Å; S287-E290 PolarHBondContact OG-OE2 3.32Å; E288-E290 VanDerWaalsContact C-N 3.31Å; E288-E290 PolarHBondContact O-N 2.89Å; E290-I294 WeakPolarHBondContact O-CG1 3.48Å; E290-I294 PolarHBondContact O-N 3.16Å
291	F	89	Confident	83.8	Confident	3 Å²	3	45 Å²	45	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-45.3	171.7	-79.5	-88.8	0	0	0	111	F242 L246 P286 S287 E288 I294 F295 M331 T335 F340 F654	F242-F291 HydrophobicContact CE1-CD1 4.22Å; F242-F291 HydrophobicContact CE1-CE1 4.07Å; F242-F291 HydrophobicContact CE1-CZ 4.49Å; F242-F291 AromaticContact CZ-CD1 3.83Å; F242-F291 HydrophobicContact CZ-CD1 3.83Å; F242-F291 HydrophobicContact CZ-CD2 4.07Å; F242-F291 AromaticContact CZ-CE1 3.81Å; F242-F291 HydrophobicContact CZ-CE1 3.81Å; F242-F291 HydrophobicContact CZ-CE2 4.07Å; F242-F291 AromaticContact CZ-CG 3.94Å; F242-F291 HydrophobicContact CZ-CG 3.94Å; F242-F291 AromaticContact CZ-CZ 3.92Å; F242-F291 HydrophobicContact CZ-CZ 3.92Å; L246-F291 HydrophobicContact CD1-CE1 4.29Å; L246-F291 HydrophobicContact CD1-CZ 3.89Å; P286-F291 HydrophobicContact CB-CD2 4.19Å; P286-F291 HydrophobicContact CB-CE2 3.72Å; P286-F291 HydrophobicContact CB-CZ 4.39Å; P286-F291 HydrophobicContact CG-CE2 4.15Å; P286-F291 HydrophobicContact CG-CZ 4.37Å; S287-F291 WeakPolarHBondContact O-CD2 3.07Å; S287-F291 PolarHBondContact O-N 3.12Å; S287-F291 VanDerWaalsContact O-N 3.17Å; E288-F291 PolarHBondContact O-N 3.27Å; F291-I294 PolarHBondContact O-N 3.39Å; F291-F295 WeakPolarHBondContact O-CD2 3.39Å; F291-F295 PolarHBondContact O-N 2.94Å; F291-M331 HydrophobicContact CB-CE 4.13Å; F291-M331 HydrophobicContact CD1-CE 3.42Å; F291-M331 VanDerWaalsContact CD1-CE 3.42Å; F291-M331 HydrophobicContact CD1-SD 3.67Å; F291-M331 HydrophobicContact CE1-CE 4.19Å; F291-M331 HydrophobicContact CE1-SD 3.89Å; F291-M331 HydrophobicContact CG-CE 4.12Å; F291-T335 HydrophobicContact CD1-CG2 3.49Å; F291-T335 VanDerWaalsContact CD1-CG2 3.49Å; F291-T335 HydrophobicContact CE1-CG2 3.81Å; F291-T335 HydrophobicContact CG-CG2 4.32Å; F291-F340 HydrophobicContact CB-CE1 3.74Å; F291-F340 HydrophobicContact CB-CZ 4.08Å; F291-F654 HydrophobicContact CE2-CE2 4.08Å; F291-F654 HydrophobicContact CE2-CZ 4.2Å; F291-F654 AromaticContact CZ-CE2 3.99Å; F291-F654 HydrophobicContact CZ-CE2 3.99Å; F291-F654 AromaticContact CZ-CZ 3.92Å; F291-F654 HydrophobicContact CZ-CZ 3.92Å
292	I	91.6	Very high	85.6	Confident	55 Å²	55	38.4 Å²	38.4	28%	0.282	19%	0.191	S	C	.	.	H	α-helix	trans	-59.6	-55.8	178.3	-69.4	164.1	0	0	0	110.3	E288 I294 F295 Q296 F340	E288-I292 VanDerWaalsContact O-CG1 3.3Å; E288-I292 WeakPolarHBondContact O-CG1 3.5Å; E288-I292 PolarHBondContact O-N 2.89Å; I292-I294 PolarHBondContact O-N 2.82Å; I292-F295 CarbonylContact O-C 3.53Å; I292-F295 WeakPolarHBondContact O-CA 3.41Å; I292-F295 WeakPolarHBondContact O-CB 3.47Å; I292-F295 PolarHBondContact O-N 3.43Å; I292-Q296 HydrophobicContact CG2-CG 4.2Å; I292-Q296 VanDerWaalsContact O-CG 3.3Å; I292-Q296 WeakPolarHBondContact O-CG 3.18Å; I292-Q296 PolarHBondContact O-N 2.96Å; I292-F340 HydrophobicContact CD1-CZ 4.44Å; I292-F340 HydrophobicContact CG1-CE1 3.96Å; I292-F340 HydrophobicContact CG1-CZ 3.94Å
293	D	91.3	Very high	87.6	Confident	31 Å²	31	33.1 Å²	33.1	17%	0.166	17%	0.168	C	C	.	.	H	α-helix	trans	-51.5	-41.5	-179.7	171.3	58.8	0	0	0	112.7	D289 Q296 K297	D289-D293 WeakPolarHBondContact O-CB 3.2Å; D289-D293 PolarHBondContact O-N 3.23Å; D293-Q296 WeakPolarHBondContact O-CB 3.48Å; D293-Q296 PolarHBondContact O-N 2.76Å; D293-K297 WeakPolarHBondContact O-CG 3.35Å; D293-K297 PolarHBondContact O-N 3.48Å; D293-K297 WeakPolarHBondContact OD1-CE 3.45Å; D293-K297 IonicContact OD1-NZ 2.7Å; D293-K297 PolarHBondContact OD1-NZ 3.06Å; D293-K297 VanDerWaalsContact OD1-NZ 3.07Å; D293-K297 WeakPolarHBondContact OD2-CE 3.28Å; D293-K297 IonicContact OD2-NZ 2.72Å; D293-K297 PolarHBondContact OD2-NZ 3.44Å
294	I	94.1	Very high	89.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-70.8	-38.9	177.6	-62.4	-67.7	0	0	0	111.9	D238 I239 F242 E290 F291 I292 Q296 K297 F298 M331	D238-I294 HydrophobicContact CB-CD1 4.41Å; D238-I294 WeakPolarHBondContact O-CD1 3.29Å; I239-I294 HydrophobicContact CG1-CG2 4.15Å; F242-I294 HydrophobicContact CB-CD1 3.66Å; F242-I294 HydrophobicContact CB-CG1 3.76Å; F242-I294 HydrophobicContact CD1-CG1 4.24Å; F242-I294 HydrophobicContact CD1-CG2 4.33Å; F242-I294 HydrophobicContact CD2-CD1 4.48Å; F242-I294 HydrophobicContact CD2-CG1 3.77Å; F242-I294 HydrophobicContact CE2-CG1 4.43Å; F242-I294 HydrophobicContact CG-CB 4.5Å; F242-I294 HydrophobicContact CG-CD1 4.16Å; F242-I294 HydrophobicContact CG-CG1 3.66Å; F242-I294 HydrophobicContact CG-CG2 4.49Å; E290-I294 WeakPolarHBondContact O-CG1 3.48Å; E290-I294 PolarHBondContact O-N 3.16Å; F291-I294 PolarHBondContact O-N 3.39Å; I292-I294 PolarHBondContact O-N 2.82Å; I294-Q296 VanDerWaalsContact C-N 3.31Å; I294-Q296 PolarHBondContact O-N 3.01Å; I294-K297 HydrophobicContact CD1-CD 4.24Å; I294-K297 PolarHBondContact O-N 3.4Å; I294-F298 HydrophobicContact CG2-CD2 4.07Å; I294-F298 HydrophobicContact CG2-CE2 3.75Å; I294-F298 WeakPolarHBondContact O-CD2 3.25Å; I294-F298 PolarHBondContact O-N 2.85Å; I294-M331 HydrophobicContact CB-CE 3.8Å; I294-M331 HydrophobicContact CG2-CE 3.68Å
295	F	95.3	Very high	90.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-36.5	167.7	-80.8	-66.6	0	0	0	112.5	F291 I292 K297 F298 K299 L328 M331 V332 T335 F340 V344 W376	F291-F295 WeakPolarHBondContact O-CD2 3.39Å; F291-F295 PolarHBondContact O-N 2.94Å; I292-F295 CarbonylContact O-C 3.53Å; I292-F295 WeakPolarHBondContact O-CA 3.41Å; I292-F295 WeakPolarHBondContact O-CB 3.47Å; I292-F295 PolarHBondContact O-N 3.43Å; F295-K297 VanDerWaalsContact C-N 3.34Å; F295-F298 PolarHBondContact O-N 3.23Å; F295-K299 WeakPolarHBondContact O-CG 3.19Å; F295-K299 PolarHBondContact O-N 2.82Å; F295-L328 HydrophobicContact CD1-CD1 3.84Å; F295-L328 HydrophobicContact CE1-CD1 3.69Å; F295-M331 HydrophobicContact CD2-CE 4.22Å; F295-M331 HydrophobicContact CE1-CG 3.91Å; F295-M331 HydrophobicContact CE2-CE 4.1Å; F295-M331 HydrophobicContact CE2-CG 3.89Å; F295-M331 HydrophobicContact CZ-CB 4.45Å; F295-M331 HydrophobicContact CZ-CG 3.54Å; F295-V332 HydrophobicContact CE1-CG2 3.83Å; F295-V332 HydrophobicContact CZ-CG2 4.11Å; F295-T335 HydrophobicContact CE2-CG2 3.95Å; F295-T335 HydrophobicContact CZ-CG2 4.3Å; F295-F340 HydrophobicContact CD2-CD1 4Å; F295-F340 HydrophobicContact CD2-CE1 4.15Å; F295-F340 AromaticContact CE2-CD1 3.63Å; F295-F340 HydrophobicContact CE2-CD1 3.63Å; F295-F340 HydrophobicContact CE2-CE1 4.11Å; F295-V344 HydrophobicContact CB-CB 4.22Å; F295-V344 HydrophobicContact CB-CG1 4.1Å; F295-V344 HydrophobicContact CB-CG2 3.83Å; F295-V344 HydrophobicContact CD2-CG2 4.45Å; F295-V344 HydrophobicContact CG-CG2 4.33Å; F295-W376 HydrophobicContact CB-CZ2 4.35Å; F295-W376 AromaticContact CD1-CH2 3.92Å; F295-W376 HydrophobicContact CD1-CH2 3.92Å; F295-W376 AromaticContact CD1-CZ2 3.77Å; F295-W376 HydrophobicContact CD1-CZ2 3.77Å; F295-W376 HydrophobicContact CG-CZ2 4.46Å
296	Q	94.9	Very high	91.1	Very high	43 Å²	43	21.7 Å²	21.7	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-41.6	174.2	-53.8	-163.5	-70.9	0	0	111.1	I292 D293 I294 K299 Y300 V344 S346 Y390	I292-Q296 HydrophobicContact CG2-CG 4.2Å; I292-Q296 VanDerWaalsContact O-CG 3.3Å; I292-Q296 WeakPolarHBondContact O-CG 3.18Å; I292-Q296 PolarHBondContact O-N 2.96Å; D293-Q296 WeakPolarHBondContact O-CB 3.48Å; D293-Q296 PolarHBondContact O-N 2.76Å; I294-Q296 VanDerWaalsContact C-N 3.31Å; I294-Q296 PolarHBondContact O-N 3.01Å; Q296-K299 PolarHBondContact O-N 3Å; Q296-Y300 VanDerWaalsContact O-CB 3.31Å; Q296-Y300 WeakPolarHBondContact O-CB 3.44Å; Q296-Y300 PolarHBondContact O-N 3.06Å; Q296-V344 HydrophobicContact CG-CG1 3.72Å; Q296-S346 VanDerWaalsContact CG-O 3.32Å; Q296-S346 WeakPolarHBondContact CG-O 3.34Å; Q296-S346 PolarHBondContact NE2-O 3.42Å; Q296-Y390 HydrophobicContact CB-CD2 4.29Å; Q296-Y390 HydrophobicContact CB-CE2 3.53Å; Q296-Y390 HydrophobicContact CG-CE2 4.18Å
297	K	94.4	Very high	91.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-38.7	176.5	-73.7	163.1	-177	169.6	0	112.4	C235 D238 I239 D293 I294 F295 Y300 S301 V393	C235-K297 HydrophobicContact CB-CB 4.5Å; D238-K297 HydrophobicContact CB-CD 3.99Å; D238-K297 WeakPolarHBondContact OD2-CE 3.44Å; D238-K297 IonicContact OD2-NZ 3.82Å; D238-K297 PolarHBondContact OD2-NZ 2.98Å; I239-K297 HydrophobicContact CD1-CB 4.24Å; I239-K297 HydrophobicContact CG1-CB 4.26Å; D293-K297 WeakPolarHBondContact O-CG 3.35Å; D293-K297 PolarHBondContact O-N 3.48Å; D293-K297 WeakPolarHBondContact OD1-CE 3.45Å; D293-K297 IonicContact OD1-NZ 2.7Å; D293-K297 PolarHBondContact OD1-NZ 3.06Å; D293-K297 VanDerWaalsContact OD1-NZ 3.07Å; D293-K297 WeakPolarHBondContact OD2-CE 3.28Å; D293-K297 IonicContact OD2-NZ 2.72Å; D293-K297 PolarHBondContact OD2-NZ 3.44Å; I294-K297 HydrophobicContact CD1-CD 4.24Å; I294-K297 PolarHBondContact O-N 3.4Å; F295-K297 VanDerWaalsContact C-N 3.34Å; K297-Y300 PolarHBondContact O-N 3.37Å; K297-S301 WeakPolarHBondContact O-CB 3.35Å; K297-S301 PolarHBondContact O-N 3.02Å; K297-S301 PolarHBondContact O-OG 2.99Å; K297-S301 VanDerWaalsContact O-OG 3.1Å; K297-V393 WeakPolarHBondContact CE-O 3.49Å; K297-V393 PolarHBondContact NZ-O 3.29Å
298	F	95.9	Very high	90.9	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-55.2	-53	170.1	-82.9	-65.1	0	0	0	112.1	I239 I294 F295 Y300 S301 F302 V324 T327 L328 M331 W376	I239-F298 HydrophobicContact CD1-CD1 4.07Å; I239-F298 HydrophobicContact CD1-CE1 4.15Å; I239-F298 HydrophobicContact CD1-CG 4.34Å; I239-F298 HydrophobicContact CG2-CE1 4.09Å; I239-F298 HydrophobicContact CG2-CE2 4.36Å; I239-F298 HydrophobicContact CG2-CZ 3.73Å; I294-F298 HydrophobicContact CG2-CD2 4.07Å; I294-F298 HydrophobicContact CG2-CE2 3.75Å; I294-F298 WeakPolarHBondContact O-CD2 3.25Å; I294-F298 PolarHBondContact O-N 2.85Å; F295-F298 PolarHBondContact O-N 3.23Å; F298-Y300 VanDerWaalsContact C-N 3.33Å; F298-Y300 PolarHBondContact O-N 3.04Å; F298-S301 PolarHBondContact O-N 3.34Å; F298-F302 WeakPolarHBondContact O-CD2 3.46Å; F298-F302 PolarHBondContact O-N 3.16Å; F298-F302 VanDerWaalsContact O-N 3.17Å; F298-V324 HydrophobicContact CD1-CG1 3.5Å; F298-V324 HydrophobicContact CE1-CG1 3.83Å; F298-V324 WeakPolarHBondContact CE1-O 3.42Å; F298-T327 HydrophobicContact CE1-CG2 4.4Å; F298-T327 HydrophobicContact CZ-CG2 3.9Å; F298-L328 HydrophobicContact CB-CD1 4.28Å; F298-L328 HydrophobicContact CD1-CB 4.06Å; F298-L328 HydrophobicContact CD1-CD1 4.35Å; F298-L328 HydrophobicContact CD2-CD1 3.87Å; F298-L328 HydrophobicContact CE1-CB 3.93Å; F298-L328 HydrophobicContact CE2-CD1 4.27Å; F298-L328 HydrophobicContact CG-CB 4.49Å; F298-L328 HydrophobicContact CG-CD1 3.93Å; F298-L328 HydrophobicContact CZ-CB 4.22Å; F298-M331 HydrophobicContact CE2-CB 4.2Å; F298-M331 HydrophobicContact CE2-CG 4.24Å; F298-W376 HydrophobicContact CB-CH2 4Å; F298-W376 HydrophobicContact CB-CZ3 4.28Å
299	K	96.1	Very high	90.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-41.9	178.6	-62.8	-179.3	82.1	-170.9	0	112.4	F295 Q296 F302 C303 V344 S345 P347 M349 N375 W376	F295-K299 WeakPolarHBondContact O-CG 3.19Å; F295-K299 PolarHBondContact O-N 2.82Å; Q296-K299 PolarHBondContact O-N 3Å; K299-F302 PolarHBondContact O-N 3.06Å; K299-C303 PolarHBondContact O-N 3.25Å; K299-C303 VanDerWaalsContact O-N 3.13Å; K299-C303 PolarHBondContact O-SG 2.8Å; K299-V344 HydrophobicContact CD-CG1 4.4Å; K299-V344 PolarHBondContact NZ-O 2.78Å; K299-S345 PolarHBondContact NZ-O 2.93Å; K299-P347 HydrophobicContact CB-CG 3.78Å; K299-P347 WeakPolarHBondContact CE-O 3.4Å; K299-P347 PolarHBondContact NZ-O 3.33Å; K299-M349 HydrophobicContact CB-SD 4.02Å; K299-M349 HydrophobicContact CG-SD 4.34Å; K299-N375 WeakPolarHBondContact CE-O 3.48Å; K299-N375 PolarHBondContact NZ-O 2.87Å; K299-W376 HydrophobicContact CD-CD2 4.08Å; K299-W376 HydrophobicContact CD-CE3 4.4Å; K299-W376 HydrophobicContact CD-CH2 4.14Å; K299-W376 HydrophobicContact CD-CZ2 3.8Å; K299-W376 HydrophobicContact CD-CZ3 4.43Å; K299-W376 HydrophobicContact CG-CD2 3.92Å; K299-W376 HydrophobicContact CG-CE3 3.72Å; K299-W376 HydrophobicContact CG-CH2 3.42Å; K299-W376 VanDerWaalsContact CG-CH2 3.42Å; K299-W376 HydrophobicContact CG-CZ2 3.62Å; K299-W376 HydrophobicContact CG-CZ3 3.47Å; K299-W376 VanDerWaalsContact CG-CZ3 3.47Å
300	Y	95.2	Very high	89.7	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-41.4	179.5	-170.8	-118.4	0	0	0	112	I231 C235 Q296 K297 F298 F302 C303 L304 Y390 P392 D412 V414	I231-Y300 HydrophobicContact CG2-CE1 3.46Å; I231-Y300 VanDerWaalsContact CG2-CE1 3.46Å; C235-Y300 VanDerWaalsContact SG-CD1 3.56Å; Q296-Y300 VanDerWaalsContact O-CB 3.31Å; Q296-Y300 WeakPolarHBondContact O-CB 3.44Å; Q296-Y300 PolarHBondContact O-N 3.06Å; K297-Y300 PolarHBondContact O-N 3.37Å; F298-Y300 VanDerWaalsContact C-N 3.33Å; F298-Y300 PolarHBondContact O-N 3.04Å; Y300-F302 PolarHBondContact O-N 3.32Å; Y300-C303 CarbonylContact O-C 3.56Å; Y300-C303 WeakPolarHBondContact O-CA 3.44Å; Y300-C303 WeakPolarHBondContact O-CB 3.37Å; Y300-C303 PolarHBondContact O-N 2.92Å; Y300-C303 VanDerWaalsContact O-N 3.08Å; Y300-L304 HydrophobicContact CD1-CD1 4.01Å; Y300-L304 HydrophobicContact CE1-CD1 3.74Å; Y300-L304 HydrophobicContact CE1-CG 4.48Å; Y300-L304 PolarHBondContact O-N 3.19Å; Y300-Y390 AromaticContact CD1-CE1 3.96Å; Y300-Y390 HydrophobicContact CD1-CE1 3.96Å; Y300-Y390 AromaticContact CD2-CD1 3.63Å; Y300-Y390 HydrophobicContact CD2-CD1 3.63Å; Y300-Y390 AromaticContact CD2-CE1 3.8Å; Y300-Y390 HydrophobicContact CD2-CE1 3.8Å; Y300-Y390 HydrophobicContact CE1-CE1 4.46Å; Y300-Y390 HydrophobicContact CE2-CD1 4.07Å; Y300-Y390 HydrophobicContact CE2-CE1 4.34Å; Y300-Y390 AromaticContact CG-CD1 3.95Å; Y300-Y390 HydrophobicContact CG-CD1 3.95Å; Y300-Y390 AromaticContact CG-CE1 3.61Å; Y300-Y390 HydrophobicContact CG-CE1 3.61Å; Y300-P392 HydrophobicContact CE1-CB 4.22Å; Y300-P392 HydrophobicContact CE1-CG 4.12Å; Y300-D412 PolarHBondContact OH-OD2 2.82Å; Y300-V414 HydrophobicContact CD2-CB 4.25Å; Y300-V414 HydrophobicContact CD2-CG2 3.81Å; Y300-V414 HydrophobicContact CE2-CB 3.92Å; Y300-V414 HydrophobicContact CE2-CG2 3.53Å
301	S	93.4	Very high	88.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.5	-44.6	173.1	-70.5	0	0	0	0	112.2	C235 K297 F298 C303 L304 L305	C235-S301 VanDerWaalsContact CB-OG 3.25Å; C235-S301 WeakPolarHBondContact CB-OG 2.94Å; K297-S301 WeakPolarHBondContact O-CB 3.35Å; K297-S301 PolarHBondContact O-N 3.02Å; K297-S301 PolarHBondContact O-OG 2.99Å; K297-S301 VanDerWaalsContact O-OG 3.1Å; F298-S301 PolarHBondContact O-N 3.34Å; S301-C303 VanDerWaalsContact C-N 3.29Å; S301-C303 PolarHBondContact O-N 3.43Å; S301-L304 PolarHBondContact O-N 3.31Å; S301-L305 WeakPolarHBondContact O-CB 3.5Å; S301-L305 VanDerWaalsContact O-CG 3.26Å; S301-L305 WeakPolarHBondContact O-CG 3.43Å; S301-L305 PolarHBondContact O-N 2.92Å
302	F	95.5	Very high	86.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-36.7	173.9	-63.9	-51.5	0	0	0	112.6	F298 K299 Y300 L305 A306 V321 V324 F325 L328 M349 L357 W376	F298-F302 WeakPolarHBondContact O-CD2 3.46Å; F298-F302 PolarHBondContact O-N 3.16Å; F298-F302 VanDerWaalsContact O-N 3.17Å; K299-F302 PolarHBondContact O-N 3.06Å; Y300-F302 PolarHBondContact O-N 3.32Å; F302-L305 HydrophobicContact CD1-CD1 4.27Å; F302-A306 PolarHBondContact O-N 2.92Å; F302-A306 VanDerWaalsContact O-N 3.12Å; F302-V321 HydrophobicContact CD1-CG2 4.21Å; F302-V321 HydrophobicContact CE1-CG1 4.41Å; F302-V321 HydrophobicContact CE1-CG2 4.44Å; F302-V324 HydrophobicContact CD1-CG1 4.35Å; F302-V324 HydrophobicContact CE1-CB 3.83Å; F302-V324 HydrophobicContact CE1-CG1 3.51Å; F302-V324 HydrophobicContact CE2-CG1 4.2Å; F302-V324 HydrophobicContact CZ-CB 4.09Å; F302-V324 HydrophobicContact CZ-CG1 3.41Å; F302-V324 VanDerWaalsContact CZ-CG1 3.41Å; F302-F325 HydrophobicContact CD1-CE2 4.46Å; F302-F325 AromaticContact CE1-CD2 3.57Å; F302-F325 HydrophobicContact CE1-CD2 3.57Å; F302-F325 AromaticContact CE1-CE2 3.59Å; F302-F325 HydrophobicContact CE1-CE2 3.59Å; F302-F325 HydrophobicContact CE2-CD2 4.31Å; F302-F325 AromaticContact CE2-CE2 3.8Å; F302-F325 HydrophobicContact CE2-CE2 3.8Å; F302-F325 HydrophobicContact CE2-CZ 4.48Å; F302-F325 AromaticContact CZ-CD2 3.31Å; F302-F325 HydrophobicContact CZ-CD2 3.31Å; F302-F325 AromaticContact CZ-CE2 3.19Å; F302-F325 HydrophobicContact CZ-CE2 3.19Å; F302-F325 HydrophobicContact CZ-CG 4.36Å; F302-F325 HydrophobicContact CZ-CZ 4.2Å; F302-L328 HydrophobicContact CE2-CD2 4.05Å; F302-L328 HydrophobicContact CZ-CD2 4.31Å; F302-M349 HydrophobicContact CB-CE 4.03Å; F302-L357 HydrophobicContact CD1-CD2 3.94Å; F302-L357 HydrophobicContact CD2-CD1 4.43Å; F302-L357 HydrophobicContact CE1-CD2 4.23Å; F302-L357 HydrophobicContact CG-CD1 4.36Å; F302-L357 HydrophobicContact CG-CD2 4.33Å; F302-W376 HydrophobicContact CD2-CZ3 4.5Å; F302-W376 HydrophobicContact CE2-CZ3 4.18Å
303	C	94.1	Very high	84.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-32.7	175.1	-65.2	0	0	0	0	113.1	K299 Y300 S301 R307 T350 V414	K299-C303 PolarHBondContact O-N 3.25Å; K299-C303 VanDerWaalsContact O-N 3.13Å; K299-C303 PolarHBondContact O-SG 2.8Å; Y300-C303 CarbonylContact O-C 3.56Å; Y300-C303 WeakPolarHBondContact O-CA 3.44Å; Y300-C303 WeakPolarHBondContact O-CB 3.37Å; Y300-C303 PolarHBondContact O-N 2.92Å; Y300-C303 VanDerWaalsContact O-N 3.08Å; S301-C303 VanDerWaalsContact C-N 3.29Å; S301-C303 PolarHBondContact O-N 3.43Å; C303-R307 WeakPolarHBondContact O-CD 3.49Å; C303-R307 WeakPolarHBondContact O-CG 3.39Å; C303-T350 HydrophobicContact CB-CG2 4.3Å; C303-V414 HydrophobicContact CB-CB 4.48Å; C303-V414 HydrophobicContact CB-CG1 3.92Å; C303-V414 HydrophobicContact CB-CG2 3.65Å
304	L	88.9	Confident	82.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-77.2	-43	173.9	-67.1	171.6	0	0	0	112.1	E228 I231 L232 Y300 S301 A306 R307 L308 P413 V414	E228-L304 HydrophobicContact CB-CD2 4.34Å; E228-L304 HydrophobicContact CG-CD2 4.34Å; I231-L304 HydrophobicContact CB-CD1 4.12Å; I231-L304 HydrophobicContact CG2-CD1 3.59Å; L232-L304 HydrophobicContact CB-CD1 4.18Å; L232-L304 HydrophobicContact CD1-CB 4.3Å; Y300-L304 HydrophobicContact CD1-CD1 4.01Å; Y300-L304 HydrophobicContact CE1-CD1 3.74Å; Y300-L304 HydrophobicContact CE1-CG 4.48Å; Y300-L304 PolarHBondContact O-N 3.19Å; S301-L304 PolarHBondContact O-N 3.31Å; L304-A306 PolarHBondContact O-N 2.95Å; L304-R307 WeakPolarHBondContact O-CB 3.39Å; L304-R307 PolarHBondContact O-N 2.7Å; L304-L308 WeakPolarHBondContact O-CG 3.31Å; L304-L308 PolarHBondContact O-N 3.18Å; L304-P413 HydrophobicContact CD2-CB 4.17Å; L304-P413 HydrophobicContact CD2-CG 4.36Å; L304-V414 HydrophobicContact CD2-CG2 4.23Å
305	L	85.6	Confident	80.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-54.5	-49.2	176.6	-77	170.1	0	0	0	111.5	L232 S301 F302 R307 L308 K309 I312 S317 L320 V321 V324 L356	L232-L305 HydrophobicContact CD1-CG 4.19Å; L232-L305 HydrophobicContact CD2-CD2 3.69Å; L232-L305 HydrophobicContact CD2-CG 4.16Å; S301-L305 WeakPolarHBondContact O-CB 3.5Å; S301-L305 VanDerWaalsContact O-CG 3.26Å; S301-L305 WeakPolarHBondContact O-CG 3.43Å; S301-L305 PolarHBondContact O-N 2.92Å; F302-L305 HydrophobicContact CD1-CD1 4.27Å; L305-R307 PolarHBondContact O-N 3.34Å; L305-R307 VanDerWaalsContact O-N 3.1Å; L305-L308 CarbonylContact O-C 3.31Å; L305-L308 PolarHBondContact O-N 3.22Å; L305-K309 PolarHBondContact O-N 3.16Å; L305-I312 HydrophobicContact CD2-CD1 3.89Å; L305-S317 PolarHBondContact O-OG 3.14Å; L305-S317 VanDerWaalsContact O-OG 3.04Å; L305-L320 HydrophobicContact CD1-CB 4.24Å; L305-L320 HydrophobicContact CD2-CB 3.68Å; L305-L320 HydrophobicContact CD2-CD1 3.63Å; L305-L320 HydrophobicContact CD2-CG 4.33Å; L305-V321 HydrophobicContact CD1-CG2 4.16Å; L305-V324 HydrophobicContact CD1-CG2 4.45Å; L305-L356 HydrophobicContact CB-CD2 4.12Å
306	A	89.7	Confident	79.3	Confident	14 Å²	14	33.9 Å²	33.9	12%	0.116	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-23.7	177.3	0	0	0	0	0	114.9	F302 L304 S352 A353 L356	F302-A306 PolarHBondContact O-N 2.92Å; F302-A306 VanDerWaalsContact O-N 3.12Å; L304-A306 PolarHBondContact O-N 2.95Å; A306-S352 WeakPolarHBondContact CB-O 3.41Å; A306-A353 HydrophobicContact CB-CB 4.19Å; A306-L356 HydrophobicContact CB-CB 3.95Å; A306-L356 HydrophobicContact CB-CD2 3.82Å
307	R	85.9	Confident	78.3	Confident	54 Å²	54	31.9 Å²	31.9	20%	0.204	20%	0.203	C	C	.	.	H	α-helix	trans	-86.4	-30.6	176.1	-63.4	172.2	51.7	54.4	27.2	112.1	R224 E228 C303 L304 L305 Q417	R224-R307 VanDerWaalsContact CZ-NH2 3.3Å; R224-R307 VanDerWaalsContact NE-NH2 3.12Å; E228-R307 IonicContact OE1-CZ 3.8Å; E228-R307 IonicContact OE1-NE 3.23Å; E228-R307 IonicContact OE1-NH2 2.7Å; E228-R307 PolarHBondContact OE1-NH2 3.4Å; E228-R307 WeakPolarHBondContact OE2-CB 3.49Å; E228-R307 IonicContact OE2-CZ 3.54Å; E228-R307 IonicContact OE2-NE 3.35Å; E228-R307 PolarHBondContact OE2-NE 3.46Å; E228-R307 IonicContact OE2-NH2 2.86Å; E228-R307 PolarHBondContact OE2-NH2 3.41Å; C303-R307 WeakPolarHBondContact O-CD 3.49Å; C303-R307 WeakPolarHBondContact O-CG 3.39Å; L304-R307 WeakPolarHBondContact O-CB 3.39Å; L304-R307 PolarHBondContact O-N 2.7Å; L305-R307 PolarHBondContact O-N 3.34Å; L305-R307 VanDerWaalsContact O-N 3.1Å; R307-Q417 VanDerWaalsContact CG-OE1 3.31Å
308	L	78.5	Confident	77.7	Confident	1 Å²	1	36 Å²	36	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-86.8	-5.8	176.7	-67.7	169.6	0	0	0	113.7	A225 E228 V229 L232 L304 L305 S310 T311 I312	A225-L308 HydrophobicContact CB-CD2 3.96Å; E228-L308 HydrophobicContact CB-CD1 4.37Å; E228-L308 HydrophobicContact CB-CD2 3.97Å; E228-L308 HydrophobicContact CB-CG 4.28Å; V229-L308 HydrophobicContact CG2-CD1 3.79Å; V229-L308 HydrophobicContact CG2-CD2 3.8Å; V229-L308 HydrophobicContact CG2-CG 4.43Å; L232-L308 HydrophobicContact CD2-CD1 3.98Å; L304-L308 WeakPolarHBondContact O-CG 3.31Å; L304-L308 PolarHBondContact O-N 3.18Å; L305-L308 CarbonylContact O-C 3.31Å; L305-L308 PolarHBondContact O-N 3.22Å; L308-S310 PolarHBondContact O-N 3.28Å; L308-T311 WeakPolarHBondContact O-CA 3.44Å; L308-T311 PolarHBondContact O-N 2.89Å; L308-I312 HydrophobicContact CB-CD1 3.97Å; L308-I312 HydrophobicContact CB-CG1 4.04Å; L308-I312 HydrophobicContact CB-CG2 4.24Å; L308-I312 PolarHBondContact O-N 3.11Å
309	K	77.4	Confident	76.9	Confident	79 Å²	79	40.7 Å²	40.7	34%	0.343	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-34.4	-173.8	-167.8	-167.8	173.4	88.4	0	114.9	L305 E318 L356	L305-K309 PolarHBondContact O-N 3.16Å; K309-E318 VanDerWaalsContact CE-OE1 3.22Å; K309-E318 WeakPolarHBondContact CE-OE1 3.46Å; K309-E318 IonicContact NZ-OE1 2.7Å; K309-E318 PolarHBondContact NZ-OE1 3.2Å; K309-L356 HydrophobicContact CD-CD1 4Å; K309-L356 HydrophobicContact CG-CD1 4.3Å
310	S	69	Low	75.9	Confident	114 Å²	114	42 Å²	42	80%	0.797	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.9	178.7	57.5	0	0	0	0	114.8	L308	L308-S310 PolarHBondContact O-N 3.28Å
311	T	57.9	Low	75.6	Confident	77 Å²	77	42 Å²	42	47%	0.472	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-34.7	-173.8	-41.1	0	0	0	0	113.5	A225 L308	A225-T311 HydrophobicContact CB-CG2 3.65Å; L308-T311 WeakPolarHBondContact O-CA 3.44Å; L308-T311 PolarHBondContact O-N 2.89Å
312	I	58.7	Low	75.3	Confident	32 Å²	32	44.5 Å²	44.5	16%	0.164	26%	0.263	C	S	.	.			trans	-95.3	132.8	173.8	65.7	179.3	0	0	0	111.1	V229 L305 L308 L320	V229-I312 HydrophobicContact CG2-CG2 3.77Å; L305-I312 HydrophobicContact CD2-CD1 3.89Å; L308-I312 HydrophobicContact CB-CD1 3.97Å; L308-I312 HydrophobicContact CB-CG1 4.04Å; L308-I312 HydrophobicContact CB-CG2 4.24Å; L308-I312 PolarHBondContact O-N 3.11Å; I312-L320 HydrophobicContact CD1-CD1 3.79Å
313	A	45.9	Very low	74.6	Confident	84 Å²	84	49.2 Å²	49.2	69%	0.694	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-139.3	-1.6	-169.7	0	0	0	0	0	115
314	S	42.4	Very low	74.2	Confident	119 Å²	119	49.6 Å²	49.6	83%	0.832	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159	99.9	175.2	-171.4	0	0	0	0	110.8
315	P	57.5	Low	74.2	Confident	67 Å²	67	49.7 Å²	49.7	44%	0.435	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	cis	-59.5	153.9	-16	29.1	-35.6	0	0	0	111.5	E319 L320	P315-E319 HydrophobicContact CB-CB 4.28Å; P315-L320 HydrophobicContact CB-CD2 4.3Å; P315-L320 HydrophobicContact CB-CG 4.12Å; P315-L320 HydrophobicContact CG-CD1 4.1Å; P315-L320 HydrophobicContact CG-CD2 3.63Å; P315-L320 HydrophobicContact CG-CG 3.75Å
316	S	69.2	Low	74.2	Confident	26 Å²	26	55.3 Å²	55.3	18%	0.182	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-69.8	162.6	172.2	65.9	0	0	0	0	111.7	E318 E319 L320	S316-E318 PolarHBondContact O-N 3.29Å; S316-E319 VanDerWaalsContact CB-OE2 3.25Å; S316-E319 WeakPolarHBondContact CB-OE2 3.39Å; S316-E319 PolarHBondContact N-OE2 2.86Å; S316-E319 PolarHBondContact O-N 3.05Å; S316-E319 WeakPolarHBondContact OG-CG 3.34Å; S316-E319 PolarHBondContact OG-N 3.47Å; S316-E319 PolarHBondContact OG-OE2 3.06Å; S316-L320 WeakPolarHBondContact O-CG 3.48Å; S316-L320 PolarHBondContact O-N 3.06Å
317	S	72.6	Confident	73.9	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-25.5	173.4	177.2	0	0	0	0	113.3	L305 V321	L305-S317 PolarHBondContact O-OG 3.14Å; L305-S317 VanDerWaalsContact O-OG 3.04Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.35Å
318	E	82.1	Confident	74.1	Confident	87 Å²	87	54 Å²	54	41%	0.407	31%	0.305	S	S	.	.	H	α-helix	trans	-78.6	-46.7	-178.6	-68.5	166.9	-175.8	0	0	109.9	K309 S316 L320 V321 H322 L356 T360	K309-E318 VanDerWaalsContact CE-OE1 3.22Å; K309-E318 WeakPolarHBondContact CE-OE1 3.46Å; K309-E318 IonicContact NZ-OE1 2.7Å; K309-E318 PolarHBondContact NZ-OE1 3.2Å; S316-E318 PolarHBondContact O-N 3.29Å; E318-L320 VanDerWaalsContact C-N 3.29Å; E318-L320 PolarHBondContact O-N 3.33Å; E318-V321 WeakPolarHBondContact O-CB 3.22Å; E318-V321 PolarHBondContact O-N 3.14Å; E318-V321 VanDerWaalsContact O-N 3.13Å; E318-H322 PolarHBondContact O-CD2 3.43Å; E318-H322 VanDerWaalsContact O-CD2 3.26Å; E318-H322 PolarHBondContact O-N 2.84Å; E318-L356 HydrophobicContact CG-CD1 4.27Å; E318-T360 HydrophobicContact CB-CG2 3.84Å; E318-T360 HydrophobicContact CG-CG2 4.11Å
319	E	78.5	Confident	74.5	Confident	99 Å²	99	56.2 Å²	56.2	46%	0.463	32%	0.317	S	S	.	.	H	α-helix	trans	-58.5	-40.2	171.8	-69.6	162.9	117.1	0	0	112.2	P315 S316 V321 H322 H323	P315-E319 HydrophobicContact CB-CB 4.28Å; S316-E319 VanDerWaalsContact CB-OE2 3.25Å; S316-E319 WeakPolarHBondContact CB-OE2 3.39Å; S316-E319 PolarHBondContact N-OE2 2.86Å; S316-E319 PolarHBondContact O-N 3.05Å; S316-E319 WeakPolarHBondContact OG-CG 3.34Å; S316-E319 PolarHBondContact OG-N 3.47Å; S316-E319 PolarHBondContact OG-OE2 3.06Å; E319-V321 PolarHBondContact O-N 3.18Å; E319-H322 PolarHBondContact O-N 3.39Å; E319-H323 PolarHBondContact O-N 3.08Å; E319-H323 PolarHBondContact O-ND1 3.2Å
320	L	75.6	Confident	74.8	Confident	27 Å²	27	55.7 Å²	55.7	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-34.4	176.6	-75.7	176.2	0	0	0	112.9	F236 L305 I312 P315 S316 E318 H322 H323 V324	F236-L320 HydrophobicContact CE2-CD1 4.45Å; F236-L320 HydrophobicContact CE2-CD2 4.21Å; F236-L320 HydrophobicContact CZ-CD2 4.49Å; L305-L320 HydrophobicContact CD1-CB 4.24Å; L305-L320 HydrophobicContact CD2-CB 3.68Å; L305-L320 HydrophobicContact CD2-CD1 3.63Å; L305-L320 HydrophobicContact CD2-CG 4.33Å; I312-L320 HydrophobicContact CD1-CD1 3.79Å; P315-L320 HydrophobicContact CB-CD2 4.3Å; P315-L320 HydrophobicContact CB-CG 4.12Å; P315-L320 HydrophobicContact CG-CD1 4.1Å; P315-L320 HydrophobicContact CG-CD2 3.63Å; P315-L320 HydrophobicContact CG-CG 3.75Å; S316-L320 WeakPolarHBondContact O-CG 3.48Å; S316-L320 PolarHBondContact O-N 3.06Å; E318-L320 VanDerWaalsContact C-N 3.29Å; E318-L320 PolarHBondContact O-N 3.33Å; L320-H322 PolarHBondContact O-N 3.36Å; L320-H323 PolarHBondContact O-N 2.99Å; L320-V324 WeakPolarHBondContact O-CB 3.29Å; L320-V324 VanDerWaalsContact O-CG2 3.24Å; L320-V324 WeakPolarHBondContact O-CG2 3.33Å; L320-V324 PolarHBondContact O-N 3.16Å
321	V	88.6	Confident	75.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-48.7	175.2	161.5	0	0	0	0	110.8	F302 L305 S317 E318 E319 H323 V324 F325 L356 L357 T360 L361	F302-V321 HydrophobicContact CD1-CG2 4.21Å; F302-V321 HydrophobicContact CE1-CG1 4.41Å; F302-V321 HydrophobicContact CE1-CG2 4.44Å; L305-V321 HydrophobicContact CD1-CG2 4.16Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.35Å; E318-V321 WeakPolarHBondContact O-CB 3.22Å; E318-V321 PolarHBondContact O-N 3.14Å; E318-V321 VanDerWaalsContact O-N 3.13Å; E319-V321 PolarHBondContact O-N 3.18Å; V321-H323 PolarHBondContact O-N 2.94Å; V321-V324 PolarHBondContact O-N 3.46Å; V321-F325 HydrophobicContact CG1-CD2 4Å; V321-F325 HydrophobicContact CG1-CE2 4.39Å; V321-F325 WeakPolarHBondContact O-CB 3.25Å; V321-F325 PolarHBondContact O-N 3.06Å; V321-L356 HydrophobicContact CG2-CD2 3.72Å; V321-L356 HydrophobicContact CG2-CG 4.13Å; V321-L357 HydrophobicContact CG1-CD2 3.64Å; V321-L357 HydrophobicContact CG2-CD2 4.12Å; V321-T360 HydrophobicContact CB-CG2 4.27Å; V321-T360 HydrophobicContact CG1-CG2 4.19Å; V321-L361 HydrophobicContact CG1-CD2 3.38Å; V321-L361 HydrophobicContact CG1-CG 4.46Å
322	H	86.9	Confident	77	Confident	53 Å²	53	46.9 Å²	46.9	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-38	178.2	-60.8	-63.3	0	0	0	113.3	E318 E319 L320 F325 R326 T360 E365	E318-H322 PolarHBondContact O-CD2 3.43Å; E318-H322 VanDerWaalsContact O-CD2 3.26Å; E318-H322 PolarHBondContact O-N 2.84Å; E319-H322 PolarHBondContact O-N 3.39Å; L320-H322 PolarHBondContact O-N 3.36Å; H322-F325 PolarHBondContact O-N 2.95Å; H322-R326 PolarHBondContact O-N 2.62Å; H322-T360 PolarHBondContact CE1-O 3.46Å; H322-E365 IonicContact CE1-OE2 3.82Å; H322-E365 PolarHBondContact CE1-OE2 2.95Å; H322-E365 IonicContact CG-OE1 2.83Å; H322-E365 IonicContact CG-OE2 3.5Å; H322-E365 IonicContact ND1-OE1 3.1Å; H322-E365 PolarHBondContact ND1-OE1 3.13Å; H322-E365 VanDerWaalsContact ND1-OE1 3.13Å; H322-E365 IonicContact ND1-OE2 2.74Å; H322-E365 PolarHBondContact ND1-OE2 3.5Å
323	H	81.4	Confident	78.2	Confident	98 Å²	98	49 Å²	49	45%	0.454	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-43.8	176	-74.9	85.4	0	0	0	111.6	E319 L320 V321 R326 T327	E319-H323 PolarHBondContact O-N 3.08Å; E319-H323 PolarHBondContact O-ND1 3.2Å; L320-H323 PolarHBondContact O-N 2.99Å; V321-H323 PolarHBondContact O-N 2.94Å; H323-R326 PolarHBondContact O-N 2.87Å; H323-T327 PolarHBondContact O-N 2.92Å; H323-T327 PolarHBondContact O-OG1 2.93Å
324	V	86	Confident	79.7	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-37.5	176.8	177.5	0	0	0	0	111	F236 F298 F302 L305 L320 V321 T327 L328	F236-V324 HydrophobicContact CD1-CG2 4.42Å; F236-V324 HydrophobicContact CE1-CG2 3.49Å; F236-V324 VanDerWaalsContact CE1-CG2 3.49Å; F236-V324 HydrophobicContact CZ-CG2 3.86Å; F298-V324 HydrophobicContact CD1-CG1 3.5Å; F298-V324 HydrophobicContact CE1-CG1 3.83Å; F298-V324 WeakPolarHBondContact CE1-O 3.42Å; F302-V324 HydrophobicContact CD1-CG1 4.35Å; F302-V324 HydrophobicContact CE1-CB 3.83Å; F302-V324 HydrophobicContact CE1-CG1 3.51Å; F302-V324 HydrophobicContact CE2-CG1 4.2Å; F302-V324 HydrophobicContact CZ-CB 4.09Å; F302-V324 HydrophobicContact CZ-CG1 3.41Å; F302-V324 VanDerWaalsContact CZ-CG1 3.41Å; L305-V324 HydrophobicContact CD1-CG2 4.45Å; L320-V324 WeakPolarHBondContact O-CB 3.29Å; L320-V324 VanDerWaalsContact O-CG2 3.24Å; L320-V324 WeakPolarHBondContact O-CG2 3.33Å; L320-V324 PolarHBondContact O-N 3.16Å; V321-V324 PolarHBondContact O-N 3.46Å; V324-T327 PolarHBondContact O-N 3.31Å; V324-L328 WeakPolarHBondContact O-CB 3.31Å; V324-L328 PolarHBondContact O-N 3.1Å
325	F	89.6	Confident	81.6	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-38.9	176.2	-104.1	-94.5	0	0	0	113.5	F302 V321 H322 T327 L328 D329 L357 L361 E365 L368 W369	F302-F325 HydrophobicContact CD1-CE2 4.46Å; F302-F325 AromaticContact CE1-CD2 3.57Å; F302-F325 HydrophobicContact CE1-CD2 3.57Å; F302-F325 AromaticContact CE1-CE2 3.59Å; F302-F325 HydrophobicContact CE1-CE2 3.59Å; F302-F325 HydrophobicContact CE2-CD2 4.31Å; F302-F325 AromaticContact CE2-CE2 3.8Å; F302-F325 HydrophobicContact CE2-CE2 3.8Å; F302-F325 HydrophobicContact CE2-CZ 4.48Å; F302-F325 AromaticContact CZ-CD2 3.31Å; F302-F325 HydrophobicContact CZ-CD2 3.31Å; F302-F325 AromaticContact CZ-CE2 3.19Å; F302-F325 HydrophobicContact CZ-CE2 3.19Å; F302-F325 HydrophobicContact CZ-CG 4.36Å; F302-F325 HydrophobicContact CZ-CZ 4.2Å; V321-F325 HydrophobicContact CG1-CD2 4Å; V321-F325 HydrophobicContact CG1-CE2 4.39Å; V321-F325 WeakPolarHBondContact O-CB 3.25Å; V321-F325 PolarHBondContact O-N 3.06Å; H322-F325 PolarHBondContact O-N 2.95Å; F325-T327 VanDerWaalsContact C-N 3.29Å; F325-T327 PolarHBondContact O-N 2.93Å; F325-L328 HydrophobicContact CD1-CD2 4.49Å; F325-L328 HydrophobicContact CE1-CD2 4.26Å; F325-L328 HydrophobicContact CZ-CD2 4.32Å; F325-L328 PolarHBondContact O-N 3.12Å; F325-D329 WeakPolarHBondContact O-CB 3.38Å; F325-D329 PolarHBondContact O-N 3.04Å; F325-L357 HydrophobicContact CE2-CD1 4.32Å; F325-L357 HydrophobicContact CE2-CD2 3.74Å; F325-L361 HydrophobicContact CD1-CD2 4.2Å; F325-L361 HydrophobicContact CD2-CD2 3.5Å; F325-L361 VanDerWaalsContact CD2-CD2 3.5Å; F325-L361 HydrophobicContact CE1-CD1 3.92Å; F325-L361 HydrophobicContact CE1-CD2 4.24Å; F325-L361 HydrophobicContact CE2-CD1 3.89Å; F325-L361 HydrophobicContact CE2-CD2 3.56Å; F325-L361 HydrophobicContact CE2-CG 4.35Å; F325-L361 HydrophobicContact CG-CD2 3.85Å; F325-L361 HydrophobicContact CZ-CD1 3.51Å; F325-L361 HydrophobicContact CZ-CD2 3.94Å; F325-L361 HydrophobicContact CZ-CG 4.39Å; F325-E365 HydrophobicContact CB-CG 4.04Å; F325-E365 HydrophobicContact CD1-CB 3.84Å; F325-E365 HydrophobicContact CD1-CG 4.05Å; F325-E365 HydrophobicContact CE1-CB 4.37Å; F325-E365 WeakPolarHBondContact CE1-O 3.47Å; F325-E365 HydrophobicContact CG-CB 4.34Å; F325-E365 HydrophobicContact CG-CG 4.25Å; F325-L368 HydrophobicContact CD1-CD2 4.24Å; F325-W369 HydrophobicContact CE1-CB 3.87Å; F325-W369 HydrophobicContact CZ-CB 3.85Å; F325-W369 HydrophobicContact CZ-CG 4.15Å
326	R	84.7	Confident	82.6	Confident	118 Å²	118	40.8 Å²	40.8	45%	0.445	21%	0.212	S	C	.	.	H	α-helix	trans	-59.6	-39.5	174.3	-169.5	-179.7	-58.8	131.7	11	112.3	H322 H323 M330	H322-R326 PolarHBondContact O-N 2.62Å; H323-R326 PolarHBondContact O-N 2.87Å; R326-M330 PolarHBondContact O-N 2.9Å
327	T	83.8	Confident	83.4	Confident	40 Å²	40	40.5 Å²	40.5	25%	0.245	21%	0.213	C	C	.	.	H	α-helix	trans	-75.3	-35.5	178.1	-45.2	0	0	0	0	111.7	I239 M243 F298 H323 V324 F325 M330 M331	I239-T327 HydrophobicContact CG2-CG2 3.91Å; M243-T327 HydrophobicContact CE-CG2 4.39Å; M243-T327 HydrophobicContact CG-CG2 3.57Å; M243-T327 HydrophobicContact SD-CG2 4.27Å; F298-T327 HydrophobicContact CE1-CG2 4.4Å; F298-T327 HydrophobicContact CZ-CG2 3.9Å; H323-T327 PolarHBondContact O-N 2.92Å; H323-T327 PolarHBondContact O-OG1 2.93Å; V324-T327 PolarHBondContact O-N 3.31Å; F325-T327 VanDerWaalsContact C-N 3.29Å; F325-T327 PolarHBondContact O-N 2.93Å; T327-M330 PolarHBondContact O-N 3.36Å; T327-M331 PolarHBondContact O-N 3.22Å
328	L	90.2	Very high	84.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-41.5	173.7	179.3	62.2	0	0	0	112.2	F295 F298 F302 V324 F325 M331 V332 L372 W376	F295-L328 HydrophobicContact CD1-CD1 3.84Å; F295-L328 HydrophobicContact CE1-CD1 3.69Å; F298-L328 HydrophobicContact CB-CD1 4.28Å; F298-L328 HydrophobicContact CD1-CB 4.06Å; F298-L328 HydrophobicContact CD1-CD1 4.35Å; F298-L328 HydrophobicContact CD2-CD1 3.87Å; F298-L328 HydrophobicContact CE1-CB 3.93Å; F298-L328 HydrophobicContact CE2-CD1 4.27Å; F298-L328 HydrophobicContact CG-CB 4.49Å; F298-L328 HydrophobicContact CG-CD1 3.93Å; F298-L328 HydrophobicContact CZ-CB 4.22Å; F302-L328 HydrophobicContact CE2-CD2 4.05Å; F302-L328 HydrophobicContact CZ-CD2 4.31Å; V324-L328 WeakPolarHBondContact O-CB 3.31Å; V324-L328 PolarHBondContact O-N 3.1Å; F325-L328 HydrophobicContact CD1-CD2 4.49Å; F325-L328 HydrophobicContact CE1-CD2 4.26Å; F325-L328 HydrophobicContact CZ-CD2 4.32Å; F325-L328 PolarHBondContact O-N 3.12Å; L328-M331 WeakPolarHBondContact O-CB 3.17Å; L328-M331 PolarHBondContact O-N 3.2Å; L328-V332 HydrophobicContact CD1-CG2 4.27Å; L328-V332 HydrophobicContact CG-CG2 4.49Å; L328-V332 WeakPolarHBondContact O-CB 3.34Å; L328-V332 VanDerWaalsContact O-CG2 3.31Å; L328-V332 WeakPolarHBondContact O-CG2 3.47Å; L328-V332 PolarHBondContact O-N 3.42Å; L328-L372 HydrophobicContact CD2-CD1 3.89Å; L328-L372 HydrophobicContact CG-CD1 4.34Å; L328-W376 HydrophobicContact CD1-CH2 3.83Å; L328-W376 HydrophobicContact CD1-CZ3 4.18Å; L328-W376 HydrophobicContact CD2-CE3 4.5Å; L328-W376 HydrophobicContact CD2-CH2 4.3Å; L328-W376 HydrophobicContact CD2-CZ3 3.8Å
329	D	86.9	Confident	84.7	Confident	48 Å²	48	42.2 Å²	42.2	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-47.4	174	173.6	59.6	0	0	0	111.9	F325 M331 V332 K333 L368	F325-D329 WeakPolarHBondContact O-CB 3.38Å; F325-D329 PolarHBondContact O-N 3.04Å; D329-M331 VanDerWaalsContact C-N 3.34Å; D329-M331 PolarHBondContact O-N 2.63Å; D329-V332 PolarHBondContact O-N 2.79Å; D329-K333 WeakPolarHBondContact O-CB 3.26Å; D329-K333 WeakPolarHBondContact O-CG 3.38Å; D329-K333 PolarHBondContact O-N 2.99Å; D329-K333 WeakPolarHBondContact OD1-CE 3.36Å; D329-K333 IonicContact OD1-NZ 3.94Å; D329-K333 PolarHBondContact OD1-NZ 3.09Å; D329-K333 IonicContact OD2-NZ 3.55Å; D329-K333 PolarHBondContact OD2-NZ 3.34Å; D329-L368 HydrophobicContact CB-CD2 3.67Å
330	M	82.8	Confident	85.2	Confident	69 Å²	69	39.5 Å²	39.5	34%	0.34	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-44	175.6	-176.8	159.9	63.4	0	0	111.6	M243 R326 T327 K333 T334 L667	M243-M330 HydrophobicContact CE-CB 4.15Å; M243-M330 HydrophobicContact CE-CE 3.62Å; M243-M330 HydrophobicContact CE-CG 3.83Å; M243-M330 HydrophobicContact CE-SD 4.43Å; R326-M330 PolarHBondContact O-N 2.9Å; T327-M330 PolarHBondContact O-N 3.36Å; M330-K333 PolarHBondContact O-N 3.16Å; M330-T334 PolarHBondContact O-N 3.41Å; M330-T334 PolarHBondContact O-OG1 3.13Å; M330-L667 HydrophobicContact SD-CD2 3.85Å
331	M	86.7	Confident	85.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-47.7	175.7	-175.7	66.2	152.9	0	0	112.1	F242 M243 F291 I294 F295 F298 T327 L328 D329 K333 T334 T335	F242-M331 HydrophobicContact CD1-CE 4.12Å; F242-M331 HydrophobicContact CD1-SD 4.25Å; F242-M331 HydrophobicContact CE1-CE 3.55Å; F242-M331 HydrophobicContact CE1-SD 3.6Å; F242-M331 VanDerWaalsContact CE1-SD 3.6Å; F242-M331 HydrophobicContact CZ-CE 3.98Å; F242-M331 HydrophobicContact CZ-SD 4.41Å; M243-M331 HydrophobicContact CE-CB 4.3Å; M243-M331 HydrophobicContact SD-SD 4.26Å; F291-M331 HydrophobicContact CB-CE 4.13Å; F291-M331 HydrophobicContact CD1-CE 3.42Å; F291-M331 VanDerWaalsContact CD1-CE 3.42Å; F291-M331 HydrophobicContact CD1-SD 3.67Å; F291-M331 HydrophobicContact CE1-CE 4.19Å; F291-M331 HydrophobicContact CE1-SD 3.89Å; F291-M331 HydrophobicContact CG-CE 4.12Å; I294-M331 HydrophobicContact CB-CE 3.8Å; I294-M331 HydrophobicContact CG2-CE 3.68Å; F295-M331 HydrophobicContact CD2-CE 4.22Å; F295-M331 HydrophobicContact CE1-CG 3.91Å; F295-M331 HydrophobicContact CE2-CE 4.1Å; F295-M331 HydrophobicContact CE2-CG 3.89Å; F295-M331 HydrophobicContact CZ-CB 4.45Å; F295-M331 HydrophobicContact CZ-CG 3.54Å; F298-M331 HydrophobicContact CE2-CB 4.2Å; F298-M331 HydrophobicContact CE2-CG 4.24Å; T327-M331 PolarHBondContact O-N 3.22Å; L328-M331 WeakPolarHBondContact O-CB 3.17Å; L328-M331 PolarHBondContact O-N 3.2Å; D329-M331 VanDerWaalsContact C-N 3.34Å; D329-M331 PolarHBondContact O-N 2.63Å; M331-K333 PolarHBondContact O-N 3.04Å; M331-T334 PolarHBondContact O-N 3.02Å; M331-T335 PolarHBondContact O-N 3.48Å; M331-T335 PolarHBondContact O-OG1 2.84Å
332	V	87.7	Confident	86.1	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-41.1	178.5	165.7	0	0	0	0	111.9	F295 L328 D329 T335 G336 G337 P338 L368 L372	F295-V332 HydrophobicContact CE1-CG2 3.83Å; F295-V332 HydrophobicContact CZ-CG2 4.11Å; L328-V332 HydrophobicContact CD1-CG2 4.27Å; L328-V332 HydrophobicContact CG-CG2 4.49Å; L328-V332 WeakPolarHBondContact O-CB 3.34Å; L328-V332 VanDerWaalsContact O-CG2 3.31Å; L328-V332 WeakPolarHBondContact O-CG2 3.47Å; L328-V332 PolarHBondContact O-N 3.42Å; D329-V332 PolarHBondContact O-N 2.79Å; V332-T335 PolarHBondContact O-N 2.87Å; V332-T335 PolarHBondContact O-OG1 3.15Å; V332-T335 VanDerWaalsContact O-OG1 3.11Å; V332-G336 PolarHBondContact O-N 2.61Å; V332-G337 WeakPolarHBondContact O-CA 3.4Å; V332-G337 PolarHBondContact O-N 3.46Å; V332-P338 HydrophobicContact CG1-CB 4.07Å; V332-L368 HydrophobicContact CB-CD1 4.27Å; V332-L368 HydrophobicContact CG1-CD1 3.9Å; V332-L368 HydrophobicContact CG2-CD1 4.29Å; V332-L372 HydrophobicContact CG2-CD2 3.98Å
333	K	83.4	Confident	86.4	Confident	77 Å²	77	40.4 Å²	40.4	34%	0.335	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-41	174.3	-78.2	164.2	173.6	153.9	0	111.4	D329 M330 M331 T335 G336 L663	D329-K333 WeakPolarHBondContact O-CB 3.26Å; D329-K333 WeakPolarHBondContact O-CG 3.38Å; D329-K333 PolarHBondContact O-N 2.99Å; D329-K333 WeakPolarHBondContact OD1-CE 3.36Å; D329-K333 IonicContact OD1-NZ 3.94Å; D329-K333 PolarHBondContact OD1-NZ 3.09Å; D329-K333 IonicContact OD2-NZ 3.55Å; D329-K333 PolarHBondContact OD2-NZ 3.34Å; M330-K333 PolarHBondContact O-N 3.16Å; M331-K333 PolarHBondContact O-N 3.04Å; K333-T335 VanDerWaalsContact C-N 3.34Å; K333-T335 PolarHBondContact O-N 3.28Å; K333-G336 PolarHBondContact O-N 3.07Å; K333-L663 HydrophobicContact CB-CD1 4.16Å
334	T	76.4	Confident	87	Confident	15 Å²	15	36.1 Å²	36.1	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-71	-23.4	175.9	-50.3	0	0	0	0	113.8	L246 M330 M331 G336 M657	L246-T334 HydrophobicContact CD1-CG2 3.95Å; L246-T334 HydrophobicContact CD2-CG2 3.97Å; L246-T334 HydrophobicContact CG-CG2 4.25Å; M330-T334 PolarHBondContact O-N 3.41Å; M330-T334 PolarHBondContact O-OG1 3.13Å; M331-T334 PolarHBondContact O-N 3.02Å; T334-G336 VanDerWaalsContact C-N 3.27Å; T334-G336 PolarHBondContact O-N 3.36Å; T334-M657 WeakPolarHBondContact O-CE 3.4Å
335	T	82.9	Confident	87.2	Confident	23 Å²	23	38.1 Å²	38.1	14%	0.141	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9.5	169.5	57.8	0	0	0	0	114.6	F291 F295 M331 V332 K333 G337 F340	F291-T335 HydrophobicContact CD1-CG2 3.49Å; F291-T335 VanDerWaalsContact CD1-CG2 3.49Å; F291-T335 HydrophobicContact CE1-CG2 3.81Å; F291-T335 HydrophobicContact CG-CG2 4.32Å; F295-T335 HydrophobicContact CE2-CG2 3.95Å; F295-T335 HydrophobicContact CZ-CG2 4.3Å; M331-T335 PolarHBondContact O-N 3.48Å; M331-T335 PolarHBondContact O-OG1 2.84Å; V332-T335 PolarHBondContact O-N 2.87Å; V332-T335 PolarHBondContact O-OG1 3.15Å; V332-T335 VanDerWaalsContact O-OG1 3.11Å; K333-T335 VanDerWaalsContact C-N 3.34Å; K333-T335 PolarHBondContact O-N 3.28Å; T335-G337 PolarHBondContact OG1-O 2.67Å; T335-F340 HydrophobicContact CG2-CB 4.38Å; T335-F340 HydrophobicContact CG2-CD1 4.02Å; T335-F340 HydrophobicContact CG2-CG 4.22Å
336	G	78.4	Confident	87.2	Confident	59 Å²	59	38.6 Å²	38.6	61%	0.608	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	24.4	177.6	0	0	0	0	0	114.1	V332 K333 T334 M657	V332-G336 PolarHBondContact O-N 2.61Å; K333-G336 PolarHBondContact O-N 3.07Å; T334-G336 VanDerWaalsContact C-N 3.27Å; T334-G336 PolarHBondContact O-N 3.36Å; G336-M657 VanDerWaalsContact CA-SD 3.5Å; G336-M657 PolarHBondContact N-SD 3.31Å; G336-M657 VanDerWaalsContact N-SD 3.37Å
337	G	85.4	Confident	87.6	Confident	20 Å²	20	33 Å²	33	21%	0.206	22%	0.22	C	C	.	.	S	Bend	trans	115.4	174.3	179.2	0	0	0	0	0	114.1	V332 T335 A339	V332-G337 WeakPolarHBondContact O-CA 3.4Å; V332-G337 PolarHBondContact O-N 3.46Å; T335-G337 PolarHBondContact OG1-O 2.67Å; G337-A339 PolarHBondContact O-N 3.2Å
338	P	91.8	Very high	88	Confident	42 Å²	42	31.1 Å²	31.1	27%	0.273	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15	-167	27.2	-35.3	0	0	0	114.1	V332 F340 G341 A342 A371 L372	V332-P338 HydrophobicContact CG1-CB 4.07Å; P338-F340 PolarHBondContact O-N 3.28Å; P338-G341 PolarHBondContact O-N 2.75Å; P338-A342 VanDerWaalsContact O-CB 3.27Å; P338-A342 WeakPolarHBondContact O-CB 3.47Å; P338-A342 PolarHBondContact O-N 3.01Å; P338-A371 HydrophobicContact CB-CB 4.21Å; P338-A371 HydrophobicContact CG-CB 3.91Å; P338-L372 HydrophobicContact CB-CD2 3.99Å; P338-L372 HydrophobicContact CB-CG 4.3Å
339	A	90.1	Very high	88.2	Confident	83 Å²	83	31.1 Å²	31.1	69%	0.686	21%	0.208	S	C	*	.	H	α-helix	trans	-57.2	-33.3	-176.2	0	0	0	0	0	113.9	G337	G337-A339 PolarHBondContact O-N 3.2Å
340	F	90.4	Very high	88.6	Confident	42 Å²	42	28.9 Å²	28.9	18%	0.184	20%	0.196	C	C	.	.	H	α-helix	trans	-70.6	-53.8	175.7	-169.7	-83	0	0	0	111.1	E288 F291 I292 F295 T335 P338 A342 S343	E288-F340 HydrophobicContact CB-CZ 4.38Å; E288-F340 HydrophobicContact CG-CE2 4.47Å; F291-F340 HydrophobicContact CB-CE1 3.74Å; F291-F340 HydrophobicContact CB-CZ 4.08Å; I292-F340 HydrophobicContact CD1-CZ 4.44Å; I292-F340 HydrophobicContact CG1-CE1 3.96Å; I292-F340 HydrophobicContact CG1-CZ 3.94Å; F295-F340 HydrophobicContact CD2-CD1 4Å; F295-F340 HydrophobicContact CD2-CE1 4.15Å; F295-F340 AromaticContact CE2-CD1 3.63Å; F295-F340 HydrophobicContact CE2-CD1 3.63Å; F295-F340 HydrophobicContact CE2-CE1 4.11Å; T335-F340 HydrophobicContact CG2-CB 4.38Å; T335-F340 HydrophobicContact CG2-CD1 4.02Å; T335-F340 HydrophobicContact CG2-CG 4.22Å; P338-F340 PolarHBondContact O-N 3.28Å; F340-A342 VanDerWaalsContact C-N 3.27Å; F340-A342 PolarHBondContact O-N 2.93Å; F340-S343 WeakPolarHBondContact O-CB 3.48Å; F340-S343 PolarHBondContact O-N 2.69Å; F340-S343 PolarHBondContact O-OG 2.93Å
341	G	90.9	Very high	89.1	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-34.7	177	0	0	0	0	0	113.3	P338 S343 V344 W376	P338-G341 PolarHBondContact O-N 2.75Å; G341-S343 PolarHBondContact O-N 3.32Å; G341-V344 WeakPolarHBondContact O-CB 3.25Å; G341-V344 PolarHBondContact O-N 3.46Å; G341-V344 VanDerWaalsContact O-N 3.1Å; G341-W376 PolarHBondContact O-NE1 3.32Å
342	A	92.6	Very high	89.3	Confident	25 Å²	25	29 Å²	29	21%	0.207	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-26.1	175.8	0	0	0	0	0	113.5	P338 F340 V344 L372 N375	P338-A342 VanDerWaalsContact O-CB 3.27Å; P338-A342 WeakPolarHBondContact O-CB 3.47Å; P338-A342 PolarHBondContact O-N 3.01Å; F340-A342 VanDerWaalsContact C-N 3.27Å; F340-A342 PolarHBondContact O-N 2.93Å; A342-V344 VanDerWaalsContact C-N 3.26Å; A342-V344 PolarHBondContact O-N 3.36Å; A342-L372 VanDerWaalsContact CA-O 3.3Å; A342-L372 WeakPolarHBondContact CA-O 3.47Å; A342-L372 WeakPolarHBondContact CB-O 3.32Å; A342-N375 PolarHBondContact O-ND2 3.22Å
343	S	91.9	Very high	89.6	Confident	75 Å²	75	28.8 Å²	28.8	52%	0.524	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.2	176.1	76.6	0	0	0	0	113.5	F340 G341 S345	F340-S343 WeakPolarHBondContact O-CB 3.48Å; F340-S343 PolarHBondContact O-N 2.69Å; F340-S343 PolarHBondContact O-OG 2.93Å; G341-S343 PolarHBondContact O-N 3.32Å; S343-S345 PolarHBondContact O-N 3.35Å
344	V	93.8	Very high	90.3	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.048	19%	0.189	C	C	.	.			trans	-78.8	90.8	-172.6	-174.7	0	0	0	0	110.7	F295 Q296 K299 G341 A342	F295-V344 HydrophobicContact CB-CB 4.22Å; F295-V344 HydrophobicContact CB-CG1 4.1Å; F295-V344 HydrophobicContact CB-CG2 3.83Å; F295-V344 HydrophobicContact CD2-CG2 4.45Å; F295-V344 HydrophobicContact CG-CG2 4.33Å; Q296-V344 HydrophobicContact CG-CG1 3.72Å; K299-V344 HydrophobicContact CD-CG1 4.4Å; K299-V344 PolarHBondContact NZ-O 2.78Å; G341-V344 WeakPolarHBondContact O-CB 3.25Å; G341-V344 PolarHBondContact O-N 3.46Å; G341-V344 VanDerWaalsContact O-N 3.1Å; A342-V344 VanDerWaalsContact C-N 3.26Å; A342-V344 PolarHBondContact O-N 3.36Å
345	S	90.1	Very high	91.1	Very high	50 Å²	50	27.3 Å²	27.3	35%	0.35	20%	0.202	S	C	.	.			trans	-77.3	-38.6	-175	59.5	0	0	0	0	114.3	K299 S343 P347 V387	K299-S345 PolarHBondContact NZ-O 2.93Å; S343-S345 PolarHBondContact O-N 3.35Å; S345-P347 CarbonylContact O-C 3.54Å; S345-P347 VanDerWaalsContact O-C 3.31Å; S345-V387 WeakPolarHBondContact O-CG1 3.47Å
346	S	90.1	Very high	91.7	Very high	11 Å²	11	26.4 Å²	26.4	8%	0.077	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-100.9	140.6	-180	-172.3	0	0	0	0	111.7	Q296 A388	Q296-S346 VanDerWaalsContact CG-O 3.32Å; Q296-S346 WeakPolarHBondContact CG-O 3.34Å; Q296-S346 PolarHBondContact NE2-O 3.42Å; S346-A388 WeakPolarHBondContact CB-O 3.22Å; S346-A388 PolarHBondContact OG-O 2.99Å
347	P	92.7	Very high	92.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	17%	0.168	C	C	.	.	S	Bend	cis	-62.1	152.4	-10.5	28.1	-35.2	0	0	0	111.3	K299 S345 Y390	K299-P347 HydrophobicContact CB-CG 3.78Å; K299-P347 WeakPolarHBondContact CE-O 3.4Å; K299-P347 PolarHBondContact NZ-O 3.33Å; S345-P347 CarbonylContact O-C 3.54Å; S345-P347 VanDerWaalsContact O-C 3.31Å; P347-Y390 HydrophobicContact CB-CD1 4.15Å; P347-Y390 HydrophobicContact CB-CG 3.97Å; P347-Y390 HydrophobicContact CG-CD1 4.1Å; P347-Y390 HydrophobicContact CG-CG 4.17Å
348	A	92.8	Very high	92.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.3	152.7	163.2	0	0	0	0	0	109.7	R380 L383 V387 H418	A348-R380 HydrophobicContact CB-CB 3.61Å; A348-R380 HydrophobicContact CB-CG 3.58Å; A348-L383 HydrophobicContact CB-CD1 4Å; A348-V387 HydrophobicContact CB-CB 4.25Å; A348-V387 HydrophobicContact CB-CG1 4.07Å; A348-V387 HydrophobicContact CB-CG2 4.33Å; A348-H418 PolarHBondContact O-CE1 2.93Å; A348-H418 PolarHBondContact O-NE2 3.21Å
349	M	95.6	Very high	93	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-75.9	142.8	172.7	-58.9	-64.7	-76.8	0	0	110.1	K299 F302 A353 V354 L357 H379 R380	K299-M349 HydrophobicContact CB-SD 4.02Å; K299-M349 HydrophobicContact CG-SD 4.34Å; F302-M349 HydrophobicContact CB-CE 4.03Å; M349-A353 HydrophobicContact CE-CB 3.92Å; M349-V354 HydrophobicContact CB-CG2 3.89Å; M349-L357 HydrophobicContact CE-CD1 3.78Å; M349-H379 CarbonylContact O-C 3.58Å; M349-H379 WeakPolarHBondContact O-CA 3.18Å; M349-H379 WeakPolarHBondContact O-CB 3.22Å; M349-R380 PolarHBondContact O-N 2.91Å
350	T	94.1	Very high	93.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-79.7	160.1	170.2	69.4	0	0	0	0	110.9	C303 S352 A353 V354 V414 Q417	C303-T350 HydrophobicContact CB-CG2 4.3Å; T350-S352 VanDerWaalsContact C-N 3.27Å; T350-S352 PolarHBondContact O-N 3.22Å; T350-A353 PolarHBondContact O-N 3.42Å; T350-A353 VanDerWaalsContact O-N 3.14Å; T350-A353 WeakPolarHBondContact OG1-CB 3.25Å; T350-A353 PolarHBondContact OG1-N 2.91Å; T350-A353 VanDerWaalsContact OG1-N 3.14Å; T350-V354 PolarHBondContact O-N 3.17Å; T350-V354 VanDerWaalsContact O-N 3.13Å; T350-V414 HydrophobicContact CG2-CG1 3.83Å; T350-Q417 HydrophobicContact CG2-CB 4.25Å; T350-Q417 HydrophobicContact CG2-CG 3.88Å
351	S	92.9	Very high	93.3	Very high	25 Å²	25	28.3 Å²	28.3	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-36.2	176.4	64	0	0	0	0	112.5	S355 E421	S351-S355 PolarHBondContact O-N 2.83Å; S351-S355 VanDerWaalsContact O-N 3.15Å; S351-E421 WeakPolarHBondContact CB-OE1 3.46Å; S351-E421 PolarHBondContact N-OE1 2.89Å; S351-E421 PolarHBondContact N-OE2 2.94Å; S351-E421 VanDerWaalsContact OG-CD 3.24Å; S351-E421 PolarHBondContact OG-OE1 3.1Å
352	S	91.8	Very high	93.4	Very high	48 Å²	48	31.8 Å²	31.8	34%	0.336	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-35.9	174.3	-50.2	0	0	0	0	113	A306 T350 L356 Q417	A306-S352 WeakPolarHBondContact CB-O 3.41Å; T350-S352 VanDerWaalsContact C-N 3.27Å; T350-S352 PolarHBondContact O-N 3.22Å; S352-L356 WeakPolarHBondContact O-CB 3.35Å; S352-L356 PolarHBondContact O-N 3.05Å; S352-Q417 PolarHBondContact OG-NE2 2.99Å
353	A	94.7	Very high	93.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.8	-42.9	178.9	0	0	0	0	0	111.8	A306 M349 T350 L356 L357	A306-A353 HydrophobicContact CB-CB 4.19Å; M349-A353 HydrophobicContact CE-CB 3.92Å; T350-A353 PolarHBondContact O-N 3.42Å; T350-A353 VanDerWaalsContact O-N 3.14Å; T350-A353 WeakPolarHBondContact OG1-CB 3.25Å; T350-A353 PolarHBondContact OG1-N 2.91Å; T350-A353 VanDerWaalsContact OG1-N 3.14Å; A353-L356 PolarHBondContact O-N 2.82Å; A353-L357 WeakPolarHBondContact O-CG 3.44Å; A353-L357 PolarHBondContact O-N 3.16Å; A353-L357 VanDerWaalsContact O-N 3.08Å
354	V	96.1	Very high	93.4	Very high	8 Å²	8	42.2 Å²	42.2	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-45.8	174.7	174.8	0	0	0	0	110.8	M349 T350 L357 Q358 W369 T377 H379	M349-V354 HydrophobicContact CB-CG2 3.89Å; T350-V354 PolarHBondContact O-N 3.17Å; T350-V354 VanDerWaalsContact O-N 3.13Å; V354-L357 PolarHBondContact O-N 3.44Å; V354-Q358 HydrophobicContact CG1-CG 4.47Å; V354-Q358 VanDerWaalsContact O-CG 3.29Å; V354-Q358 WeakPolarHBondContact O-CG 3.41Å; V354-Q358 PolarHBondContact O-N 2.97Å; V354-W369 HydrophobicContact CG1-CH2 4.18Å; V354-W369 HydrophobicContact CG1-CZ2 4.19Å; V354-T377 WeakPolarHBondContact CG1-O 3.31Å; V354-H379 HydrophobicContact CG2-CB 4.15Å
355	S	95.1	Very high	93.4	Very high	53 Å²	53	42.9 Å²	42.9	37%	0.371	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-50.5	174.9	-166.4	0	0	0	0	111.9	S351 L357 Q358 D359	S351-S355 PolarHBondContact O-N 2.83Å; S351-S355 VanDerWaalsContact O-N 3.15Å; S355-L357 PolarHBondContact O-N 3.17Å; S355-Q358 PolarHBondContact O-N 2.93Å; S355-D359 WeakPolarHBondContact O-CB 3.46Å; S355-D359 PolarHBondContact O-N 3.01Å; S355-D359 PolarHBondContact OG-OD2 3.46Å
356	L	94	Very high	93.6	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-53.3	-44.2	179.2	173.8	65.9	0	0	0	111.5	L305 A306 K309 E318 V321 S352 A353 D359 T360	L305-L356 HydrophobicContact CB-CD2 4.12Å; A306-L356 HydrophobicContact CB-CB 3.95Å; A306-L356 HydrophobicContact CB-CD2 3.82Å; K309-L356 HydrophobicContact CD-CD1 4Å; K309-L356 HydrophobicContact CG-CD1 4.3Å; E318-L356 HydrophobicContact CG-CD1 4.27Å; V321-L356 HydrophobicContact CG2-CD2 3.72Å; V321-L356 HydrophobicContact CG2-CG 4.13Å; S352-L356 WeakPolarHBondContact O-CB 3.35Å; S352-L356 PolarHBondContact O-N 3.05Å; A353-L356 PolarHBondContact O-N 2.82Å; L356-D359 PolarHBondContact O-N 2.84Å; L356-T360 WeakPolarHBondContact CD1-OG1 3.27Å; L356-T360 WeakPolarHBondContact O-CB 3.11Å; L356-T360 PolarHBondContact O-N 3.21Å; L356-T360 VanDerWaalsContact O-N 3.14Å; L356-T360 PolarHBondContact O-OG1 3.13Å
357	L	95.7	Very high	93.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-39.9	179.4	-64	-175.6	0	0	0	112.1	F302 V321 F325 M349 A353 V354 S355 D359 T360 L361 W369	F302-L357 HydrophobicContact CD1-CD2 3.94Å; F302-L357 HydrophobicContact CD2-CD1 4.43Å; F302-L357 HydrophobicContact CE1-CD2 4.23Å; F302-L357 HydrophobicContact CG-CD1 4.36Å; F302-L357 HydrophobicContact CG-CD2 4.33Å; V321-L357 HydrophobicContact CG1-CD2 3.64Å; V321-L357 HydrophobicContact CG2-CD2 4.12Å; F325-L357 HydrophobicContact CE2-CD1 4.32Å; F325-L357 HydrophobicContact CE2-CD2 3.74Å; M349-L357 HydrophobicContact CE-CD1 3.78Å; A353-L357 WeakPolarHBondContact O-CG 3.44Å; A353-L357 PolarHBondContact O-N 3.16Å; A353-L357 VanDerWaalsContact O-N 3.08Å; V354-L357 PolarHBondContact O-N 3.44Å; S355-L357 PolarHBondContact O-N 3.17Å; L357-D359 VanDerWaalsContact C-N 3.3Å; L357-D359 PolarHBondContact O-N 3.35Å; L357-T360 PolarHBondContact O-N 3.24Å; L357-L361 HydrophobicContact CB-CD1 3.94Å; L357-L361 HydrophobicContact CB-CG 4.3Å; L357-L361 HydrophobicContact CD2-CD1 4.3Å; L357-L361 HydrophobicContact CD2-CD2 4.2Å; L357-L361 HydrophobicContact CD2-CG 4.32Å; L357-L361 WeakPolarHBondContact O-CB 3.46Å; L357-L361 VanDerWaalsContact O-CG 3.22Å; L357-L361 WeakPolarHBondContact O-CG 3.49Å; L357-L361 PolarHBondContact O-N 3.22Å; L357-L361 VanDerWaalsContact O-N 3.16Å; L357-W369 HydrophobicContact CB-CD2 4.41Å; L357-W369 HydrophobicContact CB-CZ2 4.13Å; L357-W369 HydrophobicContact CD1-CZ2 4.47Å
358	Q	94.6	Very high	94	Very high	124 Å²	124	45.6 Å²	45.6	58%	0.579	26%	0.257	S	S	*	.	H	α-helix	trans	-61.9	-36.9	174	-71.6	171.4	-30.5	0	0	112.9	V354 S355 W369	V354-Q358 HydrophobicContact CG1-CG 4.47Å; V354-Q358 VanDerWaalsContact O-CG 3.29Å; V354-Q358 WeakPolarHBondContact O-CG 3.41Å; V354-Q358 PolarHBondContact O-N 2.97Å; S355-Q358 PolarHBondContact O-N 2.93Å; Q358-W369 HydrophobicContact CG-CH2 3.47Å; Q358-W369 VanDerWaalsContact CG-CH2 3.47Å; Q358-W369 HydrophobicContact CG-CZ3 3.72Å
359	D	93.4	Very high	94.2	Very high	115 Å²	115	46.3 Å²	46.3	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-82.7	-16.2	-176.7	-60.3	-39.4	0	0	0	113.6	S355 L356 L357	S355-D359 WeakPolarHBondContact O-CB 3.46Å; S355-D359 PolarHBondContact O-N 3.01Å; S355-D359 PolarHBondContact OG-OD2 3.46Å; L356-D359 PolarHBondContact O-N 2.84Å; L357-D359 VanDerWaalsContact C-N 3.3Å; L357-D359 PolarHBondContact O-N 3.35Å
360	T	91.8	Very high	94.2	Very high	20 Å²	20	50.7 Å²	50.7	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-118	-36.9	-166.9	-49	0	0	0	0	114.7	E318 V321 H322 L356 L357	E318-T360 HydrophobicContact CB-CG2 3.84Å; E318-T360 HydrophobicContact CG-CG2 4.11Å; V321-T360 HydrophobicContact CB-CG2 4.27Å; V321-T360 HydrophobicContact CG1-CG2 4.19Å; H322-T360 PolarHBondContact CE1-O 3.46Å; L356-T360 WeakPolarHBondContact CD1-OG1 3.27Å; L356-T360 WeakPolarHBondContact O-CB 3.11Å; L356-T360 PolarHBondContact O-N 3.21Å; L356-T360 VanDerWaalsContact O-N 3.14Å; L356-T360 PolarHBondContact O-OG1 3.13Å; L357-T360 PolarHBondContact O-N 3.24Å
361	L	93.9	Very high	94.3	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	31%	0.308	C	S	.	.			trans	-70.4	143.2	-167.5	-63.3	178.6	0	0	0	113.2	V321 F325 L357 E365 A366 W369	V321-L361 HydrophobicContact CG1-CD2 3.38Å; V321-L361 HydrophobicContact CG1-CG 4.46Å; F325-L361 HydrophobicContact CD1-CD2 4.2Å; F325-L361 HydrophobicContact CD2-CD2 3.5Å; F325-L361 VanDerWaalsContact CD2-CD2 3.5Å; F325-L361 HydrophobicContact CE1-CD1 3.92Å; F325-L361 HydrophobicContact CE1-CD2 4.24Å; F325-L361 HydrophobicContact CE2-CD1 3.89Å; F325-L361 HydrophobicContact CE2-CD2 3.56Å; F325-L361 HydrophobicContact CE2-CG 4.35Å; F325-L361 HydrophobicContact CG-CD2 3.85Å; F325-L361 HydrophobicContact CZ-CD1 3.51Å; F325-L361 HydrophobicContact CZ-CD2 3.94Å; F325-L361 HydrophobicContact CZ-CG 4.39Å; L357-L361 HydrophobicContact CB-CD1 3.94Å; L357-L361 HydrophobicContact CB-CG 4.3Å; L357-L361 HydrophobicContact CD2-CD1 4.3Å; L357-L361 HydrophobicContact CD2-CD2 4.2Å; L357-L361 HydrophobicContact CD2-CG 4.32Å; L357-L361 WeakPolarHBondContact O-CB 3.46Å; L357-L361 VanDerWaalsContact O-CG 3.22Å; L357-L361 WeakPolarHBondContact O-CG 3.49Å; L357-L361 PolarHBondContact O-N 3.22Å; L357-L361 VanDerWaalsContact O-N 3.16Å; L361-E365 HydrophobicContact CB-CB 3.95Å; L361-E365 HydrophobicContact CD2-CB 3.95Å; L361-E365 HydrophobicContact CG-CB 4.34Å; L361-A366 HydrophobicContact CB-CB 4.24Å; L361-W369 HydrophobicContact CD1-CB 3.79Å; L361-W369 HydrophobicContact CD1-CD2 4.12Å; L361-W369 HydrophobicContact CD1-CE3 4.27Å; L361-W369 HydrophobicContact CD1-CG 3.93Å
362	N	93.4	Very high	94.4	Very high	74 Å²	74	52.1 Å²	52.1	40%	0.396	30%	0.299	S	S	.	.			trans	-77.9	173.7	169.9	67.4	56.1	0	0	0	112	D364 E365 A366	N362-D364 PolarHBondContact O-N 3.13Å; N362-D364 PolarHBondContact OD1-N 3.15Å; N362-E365 PolarHBondContact N-OE2 3.45Å; N362-E365 VanDerWaalsContact N-OE2 3.14Å; N362-E365 PolarHBondContact ND2-OE1 3.25Å; N362-E365 PolarHBondContact ND2-OE2 3.27Å; N362-E365 PolarHBondContact O-N 3.14Å; N362-E365 WeakPolarHBondContact OD1-CG 3.48Å; N362-E365 PolarHBondContact OD1-N 3.08Å; N362-E365 VanDerWaalsContact OD1-N 3.07Å; N362-A366 VanDerWaalsContact O-CB 3.23Å; N362-A366 WeakPolarHBondContact O-CB 3.42Å; N362-A366 PolarHBondContact O-N 3.18Å
363	E	93.1	Very high	94.5	Very high	180 Å²	180	50.5 Å²	50.5	84%	0.841	29%	0.29	S	S	*	.	H	α-helix	trans	-57.5	-44.2	-173.6	-62.9	-175.9	173.7	0	0	113.7	A367	E363-A367 WeakPolarHBondContact O-CB 3.41Å; E363-A367 PolarHBondContact O-N 2.99Å
364	D	92.4	Very high	94.4	Very high	138 Å²	138	54.4 Å²	54.4	74%	0.738	32%	0.316	S	S	*	.	H	α-helix	trans	-66.9	-43	178	-74	-39	0	0	0	111.7	N362 A367 L368	N362-D364 PolarHBondContact O-N 3.13Å; N362-D364 PolarHBondContact OD1-N 3.15Å; D364-A367 PolarHBondContact O-N 3.2Å; D364-L368 PolarHBondContact O-N 3.34Å
365	E	94.1	Very high	94.3	Very high	23 Å²	23	55.9 Å²	55.9	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-67.3	-40	177.9	-70	171.7	168.4	0	0	112.2	H322 F325 L361 N362 L368 W369	H322-E365 IonicContact CE1-OE2 3.82Å; H322-E365 PolarHBondContact CE1-OE2 2.95Å; H322-E365 IonicContact CG-OE1 2.83Å; H322-E365 IonicContact CG-OE2 3.5Å; H322-E365 IonicContact ND1-OE1 3.1Å; H322-E365 PolarHBondContact ND1-OE1 3.13Å; H322-E365 VanDerWaalsContact ND1-OE1 3.13Å; H322-E365 IonicContact ND1-OE2 2.74Å; H322-E365 PolarHBondContact ND1-OE2 3.5Å; F325-E365 HydrophobicContact CB-CG 4.04Å; F325-E365 HydrophobicContact CD1-CB 3.84Å; F325-E365 HydrophobicContact CD1-CG 4.05Å; F325-E365 HydrophobicContact CE1-CB 4.37Å; F325-E365 WeakPolarHBondContact CE1-O 3.47Å; F325-E365 HydrophobicContact CG-CB 4.34Å; F325-E365 HydrophobicContact CG-CG 4.25Å; L361-E365 HydrophobicContact CB-CB 3.95Å; L361-E365 HydrophobicContact CD2-CB 3.95Å; L361-E365 HydrophobicContact CG-CB 4.34Å; N362-E365 PolarHBondContact N-OE2 3.45Å; N362-E365 VanDerWaalsContact N-OE2 3.14Å; N362-E365 PolarHBondContact ND2-OE1 3.25Å; N362-E365 PolarHBondContact ND2-OE2 3.27Å; N362-E365 PolarHBondContact O-N 3.14Å; N362-E365 WeakPolarHBondContact OD1-CG 3.48Å; N362-E365 PolarHBondContact OD1-N 3.08Å; N362-E365 VanDerWaalsContact OD1-N 3.07Å; E365-L368 PolarHBondContact O-N 3.38Å; E365-W369 VanDerWaalsContact O-CB 3.31Å; E365-W369 WeakPolarHBondContact O-CB 3.46Å; E365-W369 PolarHBondContact O-N 3.14Å
366	A	94.4	Very high	94.3	Very high	32 Å²	32	53.4 Å²	53.4	26%	0.264	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-36	176.2	0	0	0	0	0	111.5	L361 N362 T370	L361-A366 HydrophobicContact CB-CB 4.24Å; N362-A366 VanDerWaalsContact O-CB 3.23Å; N362-A366 WeakPolarHBondContact O-CB 3.42Å; N362-A366 PolarHBondContact O-N 3.18Å; A366-T370 VanDerWaalsContact O-CB 3.27Å; A366-T370 WeakPolarHBondContact O-CB 3.46Å; A366-T370 PolarHBondContact O-N 2.63Å; A366-T370 PolarHBondContact O-OG1 2.99Å
367	A	95.3	Very high	94.4	Very high	61 Å²	61	54.6 Å²	54.6	50%	0.504	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-45.5	171.1	0	0	0	0	0	111.6	E363 D364 T370 A371	E363-A367 WeakPolarHBondContact O-CB 3.41Å; E363-A367 PolarHBondContact O-N 2.99Å; D364-A367 PolarHBondContact O-N 3.2Å; A367-T370 PolarHBondContact O-N 3.06Å; A367-A371 WeakPolarHBondContact O-CB 3.39Å; A367-A371 PolarHBondContact O-N 3.46Å
368	L	94.9	Very high	94.2	Very high	25 Å²	25	57.3 Å²	57.3	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-46.7	174.3	174.2	61.9	0	0	0	112.1	F325 D329 V332 D364 E365 T370 A371 L372	F325-L368 HydrophobicContact CD1-CD2 4.24Å; D329-L368 HydrophobicContact CB-CD2 3.67Å; V332-L368 HydrophobicContact CB-CD1 4.27Å; V332-L368 HydrophobicContact CG1-CD1 3.9Å; V332-L368 HydrophobicContact CG2-CD1 4.29Å; D364-L368 PolarHBondContact O-N 3.34Å; E365-L368 PolarHBondContact O-N 3.38Å; L368-T370 VanDerWaalsContact C-N 3.34Å; L368-T370 PolarHBondContact O-N 2.87Å; L368-A371 PolarHBondContact O-N 3.44Å; L368-L372 WeakPolarHBondContact O-CG 3.2Å; L368-L372 PolarHBondContact O-N 3.42Å
369	W	97.3	Very high	94	Very high	17 Å²	17	53.2 Å²	53.2	6%	0.064	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-43	177.3	179.9	54.1	0	0	0	111.9	F325 V354 L357 Q358 L361 E365 L372 W376 T377	F325-W369 HydrophobicContact CE1-CB 3.87Å; F325-W369 HydrophobicContact CZ-CB 3.85Å; F325-W369 HydrophobicContact CZ-CG 4.15Å; V354-W369 HydrophobicContact CG1-CH2 4.18Å; V354-W369 HydrophobicContact CG1-CZ2 4.19Å; L357-W369 HydrophobicContact CB-CD2 4.41Å; L357-W369 HydrophobicContact CB-CZ2 4.13Å; L357-W369 HydrophobicContact CD1-CZ2 4.47Å; Q358-W369 HydrophobicContact CG-CH2 3.47Å; Q358-W369 VanDerWaalsContact CG-CH2 3.47Å; Q358-W369 HydrophobicContact CG-CZ3 3.72Å; L361-W369 HydrophobicContact CD1-CB 3.79Å; L361-W369 HydrophobicContact CD1-CD2 4.12Å; L361-W369 HydrophobicContact CD1-CE3 4.27Å; L361-W369 HydrophobicContact CD1-CG 3.93Å; E365-W369 VanDerWaalsContact O-CB 3.31Å; E365-W369 WeakPolarHBondContact O-CB 3.46Å; E365-W369 PolarHBondContact O-N 3.14Å; W369-L372 PolarHBondContact O-N 3.34Å; W369-W376 PolarHBondContact NE1-O 2.87Å; W369-T377 HydrophobicContact CD2-CG2 4Å; W369-T377 HydrophobicContact CE3-CG2 4.34Å; W369-T377 HydrophobicContact CG-CG2 4.43Å; W369-T377 HydrophobicContact CH2-CG2 4.36Å; W369-T377 HydrophobicContact CZ2-CG2 4.07Å; W369-T377 WeakPolarHBondContact O-CG2 3.39Å
370	T	95.7	Very high	93.7	Very high	91 Å²	91	50.4 Å²	50.4	56%	0.558	29%	0.289	S	S	*	.	H	α-helix	trans	-64.7	-39.8	175.1	-58	0	0	0	0	111.6	A366 A367 L368 L372 G373	A366-T370 VanDerWaalsContact O-CB 3.27Å; A366-T370 WeakPolarHBondContact O-CB 3.46Å; A366-T370 PolarHBondContact O-N 2.63Å; A366-T370 PolarHBondContact O-OG1 2.99Å; A367-T370 PolarHBondContact O-N 3.06Å; L368-T370 VanDerWaalsContact C-N 3.34Å; L368-T370 PolarHBondContact O-N 2.87Å; T370-L372 VanDerWaalsContact C-N 3.31Å; T370-L372 PolarHBondContact O-N 3.26Å; T370-G373 WeakPolarHBondContact O-CA 3.5Å; T370-G373 PolarHBondContact O-N 2.77Å
371	A	95.7	Very high	93.3	Very high	55 Å²	55	52.6 Å²	52.6	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-70	-23.9	178.7	0	0	0	0	0	113.6	P338 A367 L368 G373	P338-A371 HydrophobicContact CB-CB 4.21Å; P338-A371 HydrophobicContact CG-CB 3.91Å; A367-A371 WeakPolarHBondContact O-CB 3.39Å; A367-A371 PolarHBondContact O-N 3.46Å; L368-A371 PolarHBondContact O-N 3.44Å; A371-G373 PolarHBondContact O-N 2.76Å
372	L	94.8	Very high	92.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.8	167.9	-72.5	166.6	0	0	0	113.1	L328 V332 P338 A342 L368 W369 T370 W376	L328-L372 HydrophobicContact CD2-CD1 3.89Å; L328-L372 HydrophobicContact CG-CD1 4.34Å; V332-L372 HydrophobicContact CG2-CD2 3.98Å; P338-L372 HydrophobicContact CB-CD2 3.99Å; P338-L372 HydrophobicContact CB-CG 4.3Å; A342-L372 VanDerWaalsContact CA-O 3.3Å; A342-L372 WeakPolarHBondContact CA-O 3.47Å; A342-L372 WeakPolarHBondContact CB-O 3.32Å; L368-L372 WeakPolarHBondContact O-CG 3.2Å; L368-L372 PolarHBondContact O-N 3.42Å; W369-L372 PolarHBondContact O-N 3.34Å; T370-L372 VanDerWaalsContact C-N 3.31Å; T370-L372 PolarHBondContact O-N 3.26Å; L372-W376 HydrophobicContact CB-CB 4.01Å; L372-W376 HydrophobicContact CB-CD2 4.11Å; L372-W376 HydrophobicContact CB-CG 3.7Å; L372-W376 HydrophobicContact CD1-CD2 4.02Å; L372-W376 HydrophobicContact CD1-CE3 4.04Å; L372-W376 HydrophobicContact CD1-CG 4.47Å; L372-W376 HydrophobicContact CD1-CZ3 4.32Å
373	G	94.2	Very high	92.5	Very high	14 Å²	14	53.6 Å²	53.6	14%	0.144	31%	0.305	C	S	.	.			trans	74	-167.4	162.2	0	0	0	0	0	116	T370 A371 N375 W376 T377	T370-G373 WeakPolarHBondContact O-CA 3.5Å; T370-G373 PolarHBondContact O-N 2.77Å; A371-G373 PolarHBondContact O-N 2.76Å; G373-N375 VanDerWaalsContact C-N 3.28Å; G373-N375 PolarHBondContact O-N 3.16Å; G373-W376 PolarHBondContact O-N 2.88Å; G373-T377 PolarHBondContact O-N 2.9Å; G373-T377 PolarHBondContact O-OG1 2.76Å
374	P	92.9	Very high	91.7	Very high	82 Å²	82	57.5 Å²	57.5	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-55.1	-35	-164.4	-30.8	36.8	0	0	0	115.7	W376 T377 L378 L383	P374-W376 PolarHBondContact O-N 3.45Å; P374-W376 VanDerWaalsContact O-N 3.13Å; P374-T377 WeakPolarHBondContact CA-OG1 3.19Å; P374-T377 PolarHBondContact O-N 3.41Å; P374-L378 HydrophobicContact CB-CD1 3.97Å; P374-L378 HydrophobicContact CB-CG 4.29Å; P374-L378 WeakPolarHBondContact O-CB 3.33Å; P374-L378 PolarHBondContact O-N 3.46Å; P374-L383 WeakPolarHBondContact O-CD2 3.49Å
375	N	93.3	Very high	90.8	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.214	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-17.5	178.1	-75.7	-37.3	0	0	0	113.6	K299 A342 G373	K299-N375 WeakPolarHBondContact CE-O 3.48Å; K299-N375 PolarHBondContact NZ-O 2.87Å; A342-N375 PolarHBondContact O-ND2 3.22Å; G373-N375 VanDerWaalsContact C-N 3.28Å; G373-N375 PolarHBondContact O-N 3.16Å
376	W	95.8	Very high	89.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-113.5	-28.5	179.8	-65.8	75.9	0	0	0	112.7	F295 F298 K299 F302 L328 G341 W369 L372 G373 P374	F295-W376 HydrophobicContact CB-CZ2 4.35Å; F295-W376 AromaticContact CD1-CH2 3.92Å; F295-W376 HydrophobicContact CD1-CH2 3.92Å; F295-W376 AromaticContact CD1-CZ2 3.77Å; F295-W376 HydrophobicContact CD1-CZ2 3.77Å; F295-W376 HydrophobicContact CG-CZ2 4.46Å; F298-W376 HydrophobicContact CB-CH2 4Å; F298-W376 HydrophobicContact CB-CZ3 4.28Å; K299-W376 HydrophobicContact CD-CD2 4.08Å; K299-W376 HydrophobicContact CD-CE3 4.4Å; K299-W376 HydrophobicContact CD-CH2 4.14Å; K299-W376 HydrophobicContact CD-CZ2 3.8Å; K299-W376 HydrophobicContact CD-CZ3 4.43Å; K299-W376 HydrophobicContact CG-CD2 3.92Å; K299-W376 HydrophobicContact CG-CE3 3.72Å; K299-W376 HydrophobicContact CG-CH2 3.42Å; K299-W376 VanDerWaalsContact CG-CH2 3.42Å; K299-W376 HydrophobicContact CG-CZ2 3.62Å; K299-W376 HydrophobicContact CG-CZ3 3.47Å; K299-W376 VanDerWaalsContact CG-CZ3 3.47Å; F302-W376 HydrophobicContact CD2-CZ3 4.5Å; F302-W376 HydrophobicContact CE2-CZ3 4.18Å; L328-W376 HydrophobicContact CD1-CH2 3.83Å; L328-W376 HydrophobicContact CD1-CZ3 4.18Å; L328-W376 HydrophobicContact CD2-CE3 4.5Å; L328-W376 HydrophobicContact CD2-CH2 4.3Å; L328-W376 HydrophobicContact CD2-CZ3 3.8Å; G341-W376 PolarHBondContact O-NE1 3.32Å; W369-W376 PolarHBondContact NE1-O 2.87Å; L372-W376 HydrophobicContact CB-CB 4.01Å; L372-W376 HydrophobicContact CB-CD2 4.11Å; L372-W376 HydrophobicContact CB-CG 3.7Å; L372-W376 HydrophobicContact CD1-CD2 4.02Å; L372-W376 HydrophobicContact CD1-CE3 4.04Å; L372-W376 HydrophobicContact CD1-CG 4.47Å; L372-W376 HydrophobicContact CD1-CZ3 4.32Å; G373-W376 PolarHBondContact O-N 2.88Å; P374-W376 PolarHBondContact O-N 3.45Å; P374-W376 VanDerWaalsContact O-N 3.13Å
377	T	95.1	Very high	89.4	Confident	30 Å²	30	58.2 Å²	58.2	18%	0.184	33%	0.332	C	S	.	.	H	α-helix	trans	-94.7	-18.6	-177.5	59.3	0	0	0	0	115	V354 W369 G373 P374	V354-T377 WeakPolarHBondContact CG1-O 3.31Å; W369-T377 HydrophobicContact CD2-CG2 4Å; W369-T377 HydrophobicContact CE3-CG2 4.34Å; W369-T377 HydrophobicContact CG-CG2 4.43Å; W369-T377 HydrophobicContact CH2-CG2 4.36Å; W369-T377 HydrophobicContact CZ2-CG2 4.07Å; W369-T377 WeakPolarHBondContact O-CG2 3.39Å; G373-T377 PolarHBondContact O-N 2.9Å; G373-T377 PolarHBondContact O-OG1 2.76Å; P374-T377 WeakPolarHBondContact CA-OG1 3.19Å; P374-T377 PolarHBondContact O-N 3.41Å
378	L	92.2	Very high	88.7	Confident	59 Å²	59	58.2 Å²	58.2	31%	0.309	33%	0.333	S	S	.	.	S	Bend	trans	-110.4	142.5	-179.7	-56.8	-176.1	0	0	0	111.7	P374 Q382 L383	P374-L378 HydrophobicContact CB-CD1 3.97Å; P374-L378 HydrophobicContact CB-CG 4.29Å; P374-L378 WeakPolarHBondContact O-CB 3.33Å; P374-L378 PolarHBondContact O-N 3.46Å; L378-Q382 HydrophobicContact CB-CB 3.96Å; L378-Q382 HydrophobicContact CD1-CB 4.34Å; L378-L383 HydrophobicContact CB-CD2 3.92Å; L378-L383 HydrophobicContact CB-CG 4.36Å
379	H	90.3	Very high	87.9	Confident	38 Å²	38	60.9 Å²	60.9	18%	0.176	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-81.1	161.4	175.5	61.6	81.8	0	0	0	112.2	M349 V354 T381 Q382 L383	M349-H379 CarbonylContact O-C 3.58Å; M349-H379 WeakPolarHBondContact O-CA 3.18Å; M349-H379 WeakPolarHBondContact O-CB 3.22Å; V354-H379 HydrophobicContact CG2-CB 4.15Å; H379-T381 PolarHBondContact CE1-OG1 3.5Å; H379-T381 PolarHBondContact ND1-OG1 2.89Å; H379-T381 PolarHBondContact O-N 3.4Å; H379-Q382 VanDerWaalsContact CD2-CD 3.42Å; H379-Q382 PolarHBondContact CD2-OE1 3.31Å; H379-Q382 VanDerWaalsContact CD2-OE1 3.22Å; H379-Q382 PolarHBondContact NE2-NE2 2.96Å; H379-Q382 WeakPolarHBondContact O-CB 3.46Å; H379-Q382 PolarHBondContact O-N 3.48Å; H379-L383 PolarHBondContact O-N 3.05Å
380	R	87.3	Confident	87.3	Confident	55 Å²	55	60.6 Å²	60.6	21%	0.208	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-34.5	-167.5	-165.8	173.4	-167.4	170.9	6.7	116.3	A348 M349 V387 E415 H418	A348-R380 HydrophobicContact CB-CB 3.61Å; A348-R380 HydrophobicContact CB-CG 3.58Å; M349-R380 PolarHBondContact O-N 2.91Å; R380-V387 PolarHBondContact NH2-O 2.91Å; R380-E415 IonicContact CZ-OE1 3.9Å; R380-E415 IonicContact CZ-OE2 2.86Å; R380-E415 IonicContact NH1-OE1 3.77Å; R380-E415 PolarHBondContact NH1-OE1 3.19Å; R380-E415 IonicContact NH1-OE2 2.69Å; R380-E415 PolarHBondContact NH1-OE2 3.45Å; R380-E415 IonicContact NH2-OE1 2.67Å; R380-E415 IonicContact NH2-OE2 3.66Å; R380-H418 VanDerWaalsContact CD-CD2 3.5Å; R380-H418 WeakPolarHBondContact CD-CD2 3.48Å; R380-H418 VanDerWaalsContact CD-CG 3.47Å; R380-H418 VanDerWaalsContact NH1-CB 3.28Å; R380-H418 PolarHBondContact NH1-ND1 3.37Å; R380-H418 VanDerWaalsContact NH1-ND1 3.18Å
381	T	83.1	Confident	86.6	Confident	66 Å²	66	61.8 Å²	61.8	41%	0.405	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.3	179.8	48	0	0	0	0	115	H379 V425	H379-T381 PolarHBondContact CE1-OG1 3.5Å; H379-T381 PolarHBondContact ND1-OG1 2.89Å; H379-T381 PolarHBondContact O-N 3.4Å; T381-V425 HydrophobicContact CG2-CG2 4.32Å
382	Q	86.1	Confident	85.9	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.9	172.5	-69.8	171.1	-25.7	0	0	112.9	L378 H379	L378-Q382 HydrophobicContact CB-CB 3.96Å; L378-Q382 HydrophobicContact CD1-CB 4.34Å; H379-Q382 VanDerWaalsContact CD2-CD 3.42Å; H379-Q382 PolarHBondContact CD2-OE1 3.31Å; H379-Q382 VanDerWaalsContact CD2-OE1 3.22Å; H379-Q382 PolarHBondContact NE2-NE2 2.96Å; H379-Q382 WeakPolarHBondContact O-CB 3.46Å; H379-Q382 PolarHBondContact O-N 3.48Å
383	L	84.8	Confident	85.3	Confident	21 Å²	21	63.7 Å²	63.7	11%	0.11	36%	0.359	C	S	.	.	S	Bend	trans	-70.6	142.1	-178.7	-69.1	172.9	0	0	0	112.1	A348 P374 L378 H379 G385 V387	A348-L383 HydrophobicContact CB-CD1 4Å; P374-L383 WeakPolarHBondContact O-CD2 3.49Å; L378-L383 HydrophobicContact CB-CD2 3.92Å; L378-L383 HydrophobicContact CB-CG 4.36Å; H379-L383 PolarHBondContact O-N 3.05Å; L383-G385 PolarHBondContact O-N 2.88Å; L383-G385 VanDerWaalsContact O-N 3.12Å; L383-V387 HydrophobicContact CB-CG2 4.39Å; L383-V387 HydrophobicContact CD1-CG2 3.69Å
384	R	75.4	Confident	84.8	Confident	262 Å²	262	63.3 Å²	63.3	99%	0.989	35%	0.354	S	S	*	.	S	Bend	trans	-79.7	94.2	177.4	-70.5	-166.7	-178.4	-138.5	3.3	111.2
385	G	73.4	Confident	84	Confident	51 Å²	51	64.4 Å²	64.4	53%	0.526	36%	0.355	S	S	.	.	S	Bend	trans	110	174.5	170.7	0	0	0	0	0	114.2	L383 V387	L383-G385 PolarHBondContact O-N 2.88Å; L383-G385 VanDerWaalsContact O-N 3.12Å; G385-V387 PolarHBondContact O-N 3.18Å
386	P	76.3	Confident	82.8	Confident	137 Å²	137	65 Å²	65	89%	0.89	36%	0.362	S	S	*	.			trans	-74.3	113	-175	29.5	-33.9	0	0	0	111.8
387	V	83.1	Confident	81.9	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-81.4	125.3	169.2	-174.4	0	0	0	0	110.2	S345 A348 R380 L383 G385	S345-V387 WeakPolarHBondContact O-CG1 3.47Å; A348-V387 HydrophobicContact CB-CB 4.25Å; A348-V387 HydrophobicContact CB-CG1 4.07Å; A348-V387 HydrophobicContact CB-CG2 4.33Å; R380-V387 PolarHBondContact NH2-O 2.91Å; L383-V387 HydrophobicContact CB-CG2 4.39Å; L383-V387 HydrophobicContact CD1-CG2 3.69Å; G385-V387 PolarHBondContact O-N 3.18Å
388	A	80.7	Confident	81.1	Confident	62 Å²	62	70.4 Å²	70.4	51%	0.512	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-58.2	137.2	178.1	0	0	0	0	0	111.9	S346 Y390	S346-A388 WeakPolarHBondContact CB-O 3.22Å; S346-A388 PolarHBondContact OG-O 2.99Å; A388-Y390 PolarHBondContact O-N 2.79Å
389	P	79.1	Confident	80	Confident	81 Å²	81	74.3 Å²	74.3	53%	0.526	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-59.2	134.4	177.4	-22.8	33.4	0	0	0	112.2	N391 E415	P389-N391 PolarHBondContact O-ND2 3.16Å; P389-E415 VanDerWaalsContact CA-OE1 3.29Å; P389-E415 WeakPolarHBondContact CA-OE1 3.49Å
390	Y	84	Confident	78.7	Confident	10 Å²	10	73.5 Å²	73.5	4%	0.039	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-81.1	139.3	177.1	-175.2	-122.6	0	0	0	110.8	Q296 Y300 P347 A388 P392 E415	Q296-Y390 HydrophobicContact CB-CD2 4.29Å; Q296-Y390 HydrophobicContact CB-CE2 3.53Å; Q296-Y390 HydrophobicContact CG-CE2 4.18Å; Y300-Y390 AromaticContact CD1-CE1 3.96Å; Y300-Y390 HydrophobicContact CD1-CE1 3.96Å; Y300-Y390 AromaticContact CD2-CD1 3.63Å; Y300-Y390 HydrophobicContact CD2-CD1 3.63Å; Y300-Y390 AromaticContact CD2-CE1 3.8Å; Y300-Y390 HydrophobicContact CD2-CE1 3.8Å; Y300-Y390 HydrophobicContact CE1-CE1 4.46Å; Y300-Y390 HydrophobicContact CE2-CD1 4.07Å; Y300-Y390 HydrophobicContact CE2-CE1 4.34Å; Y300-Y390 AromaticContact CG-CD1 3.95Å; Y300-Y390 HydrophobicContact CG-CD1 3.95Å; Y300-Y390 AromaticContact CG-CE1 3.61Å; Y300-Y390 HydrophobicContact CG-CE1 3.61Å; P347-Y390 HydrophobicContact CB-CD1 4.15Å; P347-Y390 HydrophobicContact CB-CG 3.97Å; P347-Y390 HydrophobicContact CG-CD1 4.1Å; P347-Y390 HydrophobicContact CG-CG 4.17Å; A388-Y390 PolarHBondContact O-N 2.79Å; Y390-P392 HydrophobicContact CD1-CB 4.46Å; Y390-P392 HydrophobicContact CE1-CB 3.71Å; Y390-P392 HydrophobicContact CE1-CG 4.3Å; Y390-E415 PolarHBondContact N-OE1 3.22Å; Y390-E415 VanDerWaalsContact N-OE1 3.16Å
391	N	81.6	Confident	77.3	Confident	116 Å²	116	79 Å²	79	62%	0.62	44%	0.44	S	S	*	.			trans	-131.4	96.7	176.4	-72.4	-93.5	0	0	0	107	P389 V393	P389-N391 PolarHBondContact O-ND2 3.16Å; N391-V393 PolarHBondContact O-N 2.97Å
392	P	80.1	Confident	76	Confident	11 Å²	11	79.1 Å²	79.1	7%	0.071	45%	0.448	C	S	.	.			trans	-62.5	134.6	-174.7	23.1	-32.8	0	0	0	111.8	Y300 Y390 F394	Y300-P392 HydrophobicContact CE1-CB 4.22Å; Y300-P392 HydrophobicContact CE1-CG 4.12Å; Y390-P392 HydrophobicContact CD1-CB 4.46Å; Y390-P392 HydrophobicContact CE1-CB 3.71Å; Y390-P392 HydrophobicContact CE1-CG 4.3Å; P392-F394 HydrophobicContact CB-CE2 3.72Å; P392-F394 HydrophobicContact CB-CZ 3.77Å; P392-F394 HydrophobicContact CG-CE2 4.15Å; P392-F394 HydrophobicContact CG-CZ 4.39Å
393	V	82.3	Confident	74.3	Confident	84 Å²	84	78.9 Å²	78.9	51%	0.509	45%	0.452	S	S	.	.			trans	-123.3	113.3	176.5	-179.8	0	0	0	0	108.4	K297 N391	K297-V393 WeakPolarHBondContact CE-O 3.49Å; K297-V393 PolarHBondContact NZ-O 3.29Å; N391-V393 PolarHBondContact O-N 2.97Å
394	F	84.3	Confident	72.9	Confident	7 Å²	7	82.2 Å²	82.2	3%	0.031	46%	0.464	C	S	.	.			trans	-94.3	140.9	-174	-61.6	-80.4	0	0	0	112.5	I231 H234 D238 P392 S396 G397 W398	I231-F394 HydrophobicContact CG2-CZ 4.16Å; H234-F394 HydrophobicContact CB-CD1 3.58Å; H234-F394 HydrophobicContact CB-CE1 3.53Å; H234-F394 HydrophobicContact CB-CG 4.19Å; H234-F394 HydrophobicContact CB-CZ 4.13Å; H234-F394 WeakPolarHBondContact O-CD1 3.24Å; D238-F394 VanDerWaalsContact OD2-CA 3.22Å; D238-F394 WeakPolarHBondContact OD2-CA 3.12Å; P392-F394 HydrophobicContact CB-CE2 3.72Å; P392-F394 HydrophobicContact CB-CZ 3.77Å; P392-F394 HydrophobicContact CG-CE2 4.15Å; P392-F394 HydrophobicContact CG-CZ 4.39Å; F394-S396 PolarHBondContact O-N 3.3Å; F394-G397 WeakPolarHBondContact O-CA 3.37Å; F394-G397 PolarHBondContact O-N 3.05Å; F394-W398 AromaticContact CD2-CE3 3.66Å; F394-W398 HydrophobicContact CD2-CE3 3.66Å; F394-W398 HydrophobicContact CD2-CZ3 4.24Å; F394-W398 AromaticContact CE2-CE3 3.68Å; F394-W398 HydrophobicContact CE2-CE3 3.68Å; F394-W398 AromaticContact CE2-CZ3 3.77Å; F394-W398 HydrophobicContact CE2-CZ3 3.77Å; F394-W398 HydrophobicContact CG-CE3 4.37Å; F394-W398 HydrophobicContact CZ-CE3 4.42Å; F394-W398 HydrophobicContact CZ-CZ3 4.29Å
395	L	75.8	Confident	71.5	Confident	105 Å²	105	75.5 Å²	75.5	55%	0.55	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29	-177.6	-59.3	172.7	0	0	0	112.1	D238 G397	D238-L395 HydrophobicContact CB-CD1 4.19Å; D238-L395 HydrophobicContact CB-CG 4.38Å; D238-L395 VanDerWaalsContact OD1-CB 3.27Å; D238-L395 WeakPolarHBondContact OD1-CB 3.49Å; D238-L395 WeakPolarHBondContact OD1-CG 3.36Å; D238-L395 PolarHBondContact OD1-N 2.88Å; D238-L395 VanDerWaalsContact OD1-N 3.16Å; D238-L395 PolarHBondContact OD2-N 2.69Å; L395-G397 PolarHBondContact O-N 2.68Å
396	S	68.9	Low	70.5	Confident	53 Å²	53	78 Å²	78	37%	0.371	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.3	171.5	64	0	0	0	0	113.6	K9 F394 W398	K9-S396 PolarHBondContact NZ-O 2.92Å; F394-S396 PolarHBondContact O-N 3.3Å; S396-W398 VanDerWaalsContact OG-CB 3.25Å; S396-W398 WeakPolarHBondContact OG-CB 3.46Å; S396-W398 PolarHBondContact OG-N 3.2Å; S396-W398 VanDerWaalsContact OG-N 3.11Å
397	G	76.5	Confident	69.2	Low	65 Å²	65	74.1 Å²	74.1	67%	0.67	45%	0.451	S	S	*	.			trans	84.1	9.6	-167.7	0	0	0	0	0	113.7	F394 L395	F394-G397 WeakPolarHBondContact O-CA 3.37Å; F394-G397 PolarHBondContact O-N 3.05Å; L395-G397 PolarHBondContact O-N 2.68Å
398	W	77.6	Confident	67.6	Low	78 Å²	78	78.6 Å²	78.6	30%	0.295	47%	0.47	S	S	.	.			trans	-68.6	149.9	174.7	-173.5	84.9	0	0	0	111.6	T230 I231 H234 F394 S396 P400	T230-W398 HydrophobicContact CG2-CH2 4.26Å; T230-W398 HydrophobicContact CG2-CZ2 3.93Å; I231-W398 HydrophobicContact CG1-CH2 3.68Å; I231-W398 HydrophobicContact CG1-CZ3 3.97Å; H234-W398 HydrophobicContact CB-CE3 4.4Å; H234-W398 AromaticContact CD2-CD2 3.73Å; H234-W398 AromaticContact CD2-CE3 3.8Å; H234-W398 AromaticContact CD2-CG 3.7Å; H234-W398 AromaticContact CE1-CD2 3.94Å; H234-W398 AromaticContact CG-CE3 3.93Å; H234-W398 AromaticContact NE2-CD1 3.63Å; H234-W398 AromaticContact NE2-CD2 3.54Å; H234-W398 AromaticContact NE2-CE2 3.98Å; H234-W398 AromaticContact NE2-CG 3.34Å; H234-W398 VanDerWaalsContact NE2-CG 3.34Å; F394-W398 AromaticContact CD2-CE3 3.66Å; F394-W398 HydrophobicContact CD2-CE3 3.66Å; F394-W398 HydrophobicContact CD2-CZ3 4.24Å; F394-W398 AromaticContact CE2-CE3 3.68Å; F394-W398 HydrophobicContact CE2-CE3 3.68Å; F394-W398 AromaticContact CE2-CZ3 3.77Å; F394-W398 HydrophobicContact CE2-CZ3 3.77Å; F394-W398 HydrophobicContact CG-CE3 4.37Å; F394-W398 HydrophobicContact CZ-CE3 4.42Å; F394-W398 HydrophobicContact CZ-CZ3 4.29Å; S396-W398 VanDerWaalsContact OG-CB 3.25Å; S396-W398 WeakPolarHBondContact OG-CB 3.46Å; S396-W398 PolarHBondContact OG-N 3.2Å; S396-W398 VanDerWaalsContact OG-N 3.11Å; W398-P400 HydrophobicContact CH2-CB 4.42Å; W398-P400 HydrophobicContact CH2-CG 3.75Å; W398-P400 HydrophobicContact CZ3-CG 3.79Å
399	K	69.4	Low	66.4	Low	140 Å²	140	81.1 Å²	81.1	61%	0.609	48%	0.479	S	S	*	.			trans	-147.9	146.4	168	-66	-164.6	175.3	-161.3	0	108.5
400	P	63	Low	65.6	Low	22 Å²	22	80.9 Å²	80.9	14%	0.143	47%	0.468	C	S	.	.			trans	-54.5	148.6	168	-26.4	36.2	0	0	0	112.2	I231 W398 A402 W410	I231-P400 HydrophobicContact CD1-CG 4.47Å; I231-P400 HydrophobicContact CG1-CG 4.46Å; W398-P400 HydrophobicContact CH2-CB 4.42Å; W398-P400 HydrophobicContact CH2-CG 3.75Å; W398-P400 HydrophobicContact CZ3-CG 3.79Å; P400-A402 PolarHBondContact O-N 2.96Å; P400-W410 HydrophobicContact CB-CD2 3.98Å; P400-W410 VanDerWaalsContact CB-CE2 3.44Å; P400-W410 HydrophobicContact CB-CG 4.26Å; P400-W410 HydrophobicContact CB-CZ2 3.8Å; P400-W410 HydrophobicContact CG-CH2 4.22Å; P400-W410 HydrophobicContact CG-CZ2 3.58Å
401	E	58.5	Low	65.1	Low	171 Å²	171	84 Å²	84	80%	0.799	48%	0.482	S	S	*	.			trans	-69	116.3	-178.1	-63.2	-176.1	127.9	0	0	110.8	V403 W410	E401-V403 PolarHBondContact O-N 3.33Å; E401-W410 WeakPolarHBondContact O-CB 3.17Å
402	A	54.4	Low	65.1	Low	68 Å²	68	79 Å²	79	56%	0.562	46%	0.455	S	S	*	.	S	Bend	trans	-65.7	-15.3	-164.8	0	0	0	0	0	115.8	P400 W410	P400-A402 PolarHBondContact O-N 2.96Å; A402-W410 PolarHBondContact O-N 2.93Å
403	V	50.8	Low	65.3	Low	92 Å²	92	79 Å²	79	56%	0.558	46%	0.455	S	S	*	.	B	Isolated β-bridge	trans	-141.5	131.4	178.9	-173.7	0	0	0	0	108.1	E401	E401-V403 PolarHBondContact O-N 3.33Å
404	R	55.4	Low	65.5	Low	92 Å²	92	75 Å²	75	35%	0.347	43%	0.432	S	S	.	.			trans	-77.4	162.2	175.5	-67.2	-178	-171.7	155.6	7.4	111.6	D406 G407 Q408	R404-D406 WeakPolarHBondContact CB-OD1 3.29Å; R404-D406 VanDerWaalsContact CD-OD2 3.23Å; R404-D406 WeakPolarHBondContact CD-OD2 3.44Å; R404-D406 IonicContact NH1-OD2 2.76Å; R404-D406 PolarHBondContact O-N 2.84Å; R404-D406 VanDerWaalsContact O-N 3.12Å; R404-G407 PolarHBondContact O-N 3.34Å; R404-Q408 PolarHBondContact N-O 2.97Å
405	A	46.3	Very low	65.6	Low	121 Å²	121	75.9 Å²	75.9	100%	1	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.3	172.1	0	0	0	0	0	114.2
406	D	52.9	Low	66.1	Low	103 Å²	103	71.4 Å²	71.4	55%	0.551	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.8	173.3	60.9	36.3	0	0	0	114	R404 Q408	R404-D406 WeakPolarHBondContact CB-OD1 3.29Å; R404-D406 VanDerWaalsContact CD-OD2 3.23Å; R404-D406 WeakPolarHBondContact CD-OD2 3.44Å; R404-D406 IonicContact NH1-OD2 2.76Å; R404-D406 PolarHBondContact O-N 2.84Å; R404-D406 VanDerWaalsContact O-N 3.12Å; D406-Q408 WeakPolarHBondContact OD1-CB 3.38Å; D406-Q408 WeakPolarHBondContact OD1-CG 3.42Å; D406-Q408 PolarHBondContact OD1-N 2.9Å
407	G	47.9	Very low	66.9	Low	56 Å²	56	69.7 Å²	69.7	58%	0.577	40%	0.399	S	S	*	.	S	Bend	trans	85	-3.1	-177.9	0	0	0	0	0	115.5	R404	R404-G407 PolarHBondContact O-N 3.34Å
408	Q	49.2	Very low	67.4	Low	114 Å²	114	66.9 Å²	66.9	53%	0.533	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-71.8	138.7	172.1	-64.3	-169.5	-13.4	0	0	111.3	R404 D406	R404-Q408 PolarHBondContact N-O 2.97Å; D406-Q408 WeakPolarHBondContact OD1-CB 3.38Å; D406-Q408 WeakPolarHBondContact OD1-CG 3.42Å; D406-Q408 PolarHBondContact OD1-N 2.9Å
409	V	56.8	Low	67.8	Low	115 Å²	115	68.1 Å²	68.1	70%	0.697	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-64.1	140	170.8	-175.7	0	0	0	0	109.1	E411	V409-E411 PolarHBondContact O-N 2.88Å
410	W	62.9	Low	68.5	Low	76 Å²	76	67.3 Å²	67.3	29%	0.288	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-62.8	128.5	172.8	174.4	81.7	0	0	0	111	P400 E401 A402 D412	P400-W410 HydrophobicContact CB-CD2 3.98Å; P400-W410 VanDerWaalsContact CB-CE2 3.44Å; P400-W410 HydrophobicContact CB-CG 4.26Å; P400-W410 HydrophobicContact CB-CZ2 3.8Å; P400-W410 HydrophobicContact CG-CH2 4.22Å; P400-W410 HydrophobicContact CG-CZ2 3.58Å; E401-W410 WeakPolarHBondContact O-CB 3.17Å; A402-W410 PolarHBondContact O-N 2.93Å; W410-D412 HydrophobicContact CH2-CB 3.61Å; W410-D412 HydrophobicContact CZ2-CB 3.92Å; W410-D412 HydrophobicContact CZ3-CB 4.24Å
411	E	71.6	Confident	69.6	Low	75 Å²	75	66.7 Å²	66.7	35%	0.35	37%	0.369	S	S	.	.			trans	-115.5	131.4	171.3	-174.4	173.8	-107.2	0	0	108.7	V409 S416 K419	V409-E411 PolarHBondContact O-N 2.88Å; E411-S416 WeakPolarHBondContact OE2-CA 3.44Å; E411-S416 WeakPolarHBondContact OE2-CB 3.49Å; E411-S416 PolarHBondContact OE2-OG 3.22Å; E411-K419 WeakPolarHBondContact OE1-CD 3.2Å; E411-K419 WeakPolarHBondContact OE1-CE 3.43Å; E411-K419 IonicContact OE1-NZ 2.67Å; E411-K419 PolarHBondContact OE1-NZ 3.36Å
412	D	83	Confident	70.9	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.053	35%	0.346	C	S	.	.			trans	-59.6	134.6	176.8	176.6	-86.2	0	0	0	111.5	Y300 W410 V414 E415 S416	Y300-D412 PolarHBondContact OH-OD2 2.82Å; W410-D412 HydrophobicContact CH2-CB 3.61Å; W410-D412 HydrophobicContact CZ2-CB 3.92Å; W410-D412 HydrophobicContact CZ3-CB 4.24Å; D412-V414 VanDerWaalsContact C-N 3.26Å; D412-V414 PolarHBondContact O-N 2.66Å; D412-V414 WeakPolarHBondContact OD1-CA 3.12Å; D412-V414 WeakPolarHBondContact OD1-CB 3.38Å; D412-V414 PolarHBondContact OD1-N 2.85Å; D412-E415 HydrophobicContact CB-CB 4.06Å; D412-E415 HydrophobicContact CB-CG 4.25Å; D412-E415 PolarHBondContact O-N 2.7Å; D412-E415 PolarHBondContact OD1-N 3.01Å; D412-S416 WeakPolarHBondContact O-CB 3.31Å; D412-S416 PolarHBondContact O-N 2.93Å
413	P	84.1	Confident	72.3	Confident	11 Å²	11	63 Å²	63	7%	0.071	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-33.7	-176.9	-25.6	34.3	0	0	0	114.8	E228 I231 L304 Q417	E228-P413 HydrophobicContact CG-CB 3.88Å; E228-P413 HydrophobicContact CG-CG 3.69Å; I231-P413 HydrophobicContact CD1-CG 4.04Å; L304-P413 HydrophobicContact CD2-CB 4.17Å; L304-P413 HydrophobicContact CD2-CG 4.36Å; P413-Q417 PolarHBondContact O-N 3.43Å; P413-Q417 VanDerWaalsContact O-N 3.12Å
414	V	87.3	Confident	73.7	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-85.7	-42.5	-175.5	177.9	0	0	0	0	110.4	Y300 C303 L304 T350 D412 S416 Q417 H418	Y300-V414 HydrophobicContact CD2-CB 4.25Å; Y300-V414 HydrophobicContact CD2-CG2 3.81Å; Y300-V414 HydrophobicContact CE2-CB 3.92Å; Y300-V414 HydrophobicContact CE2-CG2 3.53Å; C303-V414 HydrophobicContact CB-CB 4.48Å; C303-V414 HydrophobicContact CB-CG1 3.92Å; C303-V414 HydrophobicContact CB-CG2 3.65Å; L304-V414 HydrophobicContact CD2-CG2 4.23Å; T350-V414 HydrophobicContact CG2-CG1 3.83Å; D412-V414 VanDerWaalsContact C-N 3.26Å; D412-V414 PolarHBondContact O-N 2.66Å; D412-V414 WeakPolarHBondContact OD1-CA 3.12Å; D412-V414 WeakPolarHBondContact OD1-CB 3.38Å; D412-V414 PolarHBondContact OD1-N 2.85Å; V414-S416 VanDerWaalsContact C-N 3.32Å; V414-S416 PolarHBondContact O-N 3.32Å; V414-Q417 PolarHBondContact O-N 3.45Å; V414-H418 VanDerWaalsContact O-CG 3.3Å; V414-H418 PolarHBondContact O-N 2.99Å; V414-H418 PolarHBondContact O-ND1 3.33Å; V414-H418 VanDerWaalsContact O-ND1 3.11Å
415	E	86.2	Confident	74.9	Confident	24 Å²	24	62.7 Å²	62.7	11%	0.112	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-36.2	169.4	-67.9	-65.9	147.5	0	0	112.1	R380 P389 Y390 D412 H418 K419	R380-E415 IonicContact CZ-OE1 3.9Å; R380-E415 IonicContact CZ-OE2 2.86Å; R380-E415 IonicContact NH1-OE1 3.77Å; R380-E415 PolarHBondContact NH1-OE1 3.19Å; R380-E415 IonicContact NH1-OE2 2.69Å; R380-E415 PolarHBondContact NH1-OE2 3.45Å; R380-E415 IonicContact NH2-OE1 2.67Å; R380-E415 IonicContact NH2-OE2 3.66Å; P389-E415 VanDerWaalsContact CA-OE1 3.29Å; P389-E415 WeakPolarHBondContact CA-OE1 3.49Å; Y390-E415 PolarHBondContact N-OE1 3.22Å; Y390-E415 VanDerWaalsContact N-OE1 3.16Å; D412-E415 HydrophobicContact CB-CB 4.06Å; D412-E415 HydrophobicContact CB-CG 4.25Å; D412-E415 PolarHBondContact O-N 2.7Å; D412-E415 PolarHBondContact OD1-N 3.01Å; E415-H418 PolarHBondContact O-N 3.04Å; E415-K419 WeakPolarHBondContact O-CG 3.31Å; E415-K419 PolarHBondContact O-N 2.87Å
416	S	84.9	Confident	76.4	Confident	11 Å²	11	63.1 Å²	63.1	8%	0.077	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-49.6	171.4	-164.9	0	0	0	0	110.5	E411 D412 V414 H418 K419 H420	E411-S416 WeakPolarHBondContact OE2-CA 3.44Å; E411-S416 WeakPolarHBondContact OE2-CB 3.49Å; E411-S416 PolarHBondContact OE2-OG 3.22Å; D412-S416 WeakPolarHBondContact O-CB 3.31Å; D412-S416 PolarHBondContact O-N 2.93Å; V414-S416 VanDerWaalsContact C-N 3.32Å; V414-S416 PolarHBondContact O-N 3.32Å; S416-H418 PolarHBondContact O-N 2.85Å; S416-K419 WeakPolarHBondContact O-CB 3.34Å; S416-K419 PolarHBondContact O-N 3.12Å; S416-H420 PolarHBondContact O-N 3.1Å; S416-H420 VanDerWaalsContact O-N 3.1Å; S416-H420 PolarHBondContact O-ND1 3.38Å
417	Q	86.2	Confident	77.5	Confident	18 Å²	18	65.2 Å²	65.2	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-44.4	175.5	176.1	155.8	-9.1	0	0	112.3	R307 T350 S352 P413 V414 K419 H420 E421	R307-Q417 VanDerWaalsContact CG-OE1 3.31Å; T350-Q417 HydrophobicContact CG2-CB 4.25Å; T350-Q417 HydrophobicContact CG2-CG 3.88Å; S352-Q417 PolarHBondContact OG-NE2 2.99Å; P413-Q417 PolarHBondContact O-N 3.43Å; P413-Q417 VanDerWaalsContact O-N 3.12Å; V414-Q417 PolarHBondContact O-N 3.45Å; Q417-K419 VanDerWaalsContact C-N 3.27Å; Q417-K419 PolarHBondContact O-N 3.06Å; Q417-H420 PolarHBondContact O-N 3.44Å; Q417-H420 VanDerWaalsContact O-N 3.11Å; Q417-E421 HydrophobicContact CG-CG 4.25Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.46Å; Q417-E421 PolarHBondContact NE2-OE1 2.87Å; Q417-E421 WeakPolarHBondContact O-CG 3.4Å; Q417-E421 PolarHBondContact O-N 3.04Å
418	H	88.1	Confident	78.5	Confident	6 Å²	6	67.5 Å²	67.5	3%	0.028	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-36.3	176.1	-71.9	139.2	0	0	0	113.3	A348 R380 V414 E415 S416 A422	A348-H418 PolarHBondContact O-CE1 2.93Å; A348-H418 PolarHBondContact O-NE2 3.21Å; R380-H418 VanDerWaalsContact CD-CD2 3.5Å; R380-H418 WeakPolarHBondContact CD-CD2 3.48Å; R380-H418 VanDerWaalsContact CD-CG 3.47Å; R380-H418 VanDerWaalsContact NH1-CB 3.28Å; R380-H418 PolarHBondContact NH1-ND1 3.37Å; R380-H418 VanDerWaalsContact NH1-ND1 3.18Å; V414-H418 VanDerWaalsContact O-CG 3.3Å; V414-H418 PolarHBondContact O-N 2.99Å; V414-H418 PolarHBondContact O-ND1 3.33Å; V414-H418 VanDerWaalsContact O-ND1 3.11Å; E415-H418 PolarHBondContact O-N 3.04Å; S416-H418 PolarHBondContact O-N 2.85Å; H418-A422 VanDerWaalsContact O-CB 3.31Å; H418-A422 WeakPolarHBondContact O-CB 3.49Å; H418-A422 PolarHBondContact O-N 3.25Å
419	K	85.8	Confident	79.2	Confident	103 Å²	103	66.8 Å²	66.8	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-47.8	172.9	-69.7	171.5	-172	-178.3	0	111.1	E411 E415 S416 Q417 E421 A422 H423	E411-K419 WeakPolarHBondContact OE1-CD 3.2Å; E411-K419 WeakPolarHBondContact OE1-CE 3.43Å; E411-K419 IonicContact OE1-NZ 2.67Å; E411-K419 PolarHBondContact OE1-NZ 3.36Å; E415-K419 WeakPolarHBondContact O-CG 3.31Å; E415-K419 PolarHBondContact O-N 2.87Å; S416-K419 WeakPolarHBondContact O-CB 3.34Å; S416-K419 PolarHBondContact O-N 3.12Å; Q417-K419 VanDerWaalsContact C-N 3.27Å; Q417-K419 PolarHBondContact O-N 3.06Å; K419-E421 PolarHBondContact O-N 2.81Å; K419-A422 PolarHBondContact O-N 2.75Å; K419-H423 PolarHBondContact O-CD2 2.88Å; K419-H423 PolarHBondContact O-N 3.3Å
420	H	83.6	Confident	79.2	Confident	123 Å²	123	68.6 Å²	68.6	57%	0.569	33%	0.326	S	S	*	.	H	α-helix	trans	-59.8	-44	178	-70.5	77	0	0	0	111.9	S416 Q417 H423 R424	S416-H420 PolarHBondContact O-N 3.1Å; S416-H420 VanDerWaalsContact O-N 3.1Å; S416-H420 PolarHBondContact O-ND1 3.38Å; Q417-H420 PolarHBondContact O-N 3.44Å; Q417-H420 VanDerWaalsContact O-N 3.11Å; H420-H423 PolarHBondContact O-N 3.26Å; H420-R424 PolarHBondContact O-N 3.07Å
421	E	86.6	Confident	78.7	Confident	9 Å²	9	75.6 Å²	75.6	4%	0.042	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175.4	-70.3	177.3	178.4	0	0	111.8	S351 Q417 K419 H423 R424 V425	S351-E421 WeakPolarHBondContact CB-OE1 3.46Å; S351-E421 PolarHBondContact N-OE1 2.89Å; S351-E421 PolarHBondContact N-OE2 2.94Å; S351-E421 VanDerWaalsContact OG-CD 3.24Å; S351-E421 PolarHBondContact OG-OE1 3.1Å; Q417-E421 HydrophobicContact CG-CG 4.25Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.46Å; Q417-E421 PolarHBondContact NE2-OE1 2.87Å; Q417-E421 WeakPolarHBondContact O-CG 3.4Å; Q417-E421 PolarHBondContact O-N 3.04Å; K419-E421 PolarHBondContact O-N 2.81Å; E421-H423 VanDerWaalsContact C-N 3.34Å; E421-H423 PolarHBondContact O-N 3.45Å; E421-R424 PolarHBondContact O-N 3.45Å; E421-V425 PolarHBondContact O-N 3.13Å; E421-V425 VanDerWaalsContact O-N 3.16Å
422	A	84.9	Confident	77.6	Confident	36 Å²	36	74.7 Å²	74.7	30%	0.298	36%	0.364	S	S	.	.	H	α-helix	trans	-67.8	-29.8	176.3	0	0	0	0	0	113.7	H418 K419 K426	H418-A422 VanDerWaalsContact O-CB 3.31Å; H418-A422 WeakPolarHBondContact O-CB 3.49Å; H418-A422 PolarHBondContact O-N 3.25Å; K419-A422 PolarHBondContact O-N 2.75Å; A422-K426 WeakPolarHBondContact O-CG 3.32Å; A422-K426 PolarHBondContact O-N 3.43Å
423	H	83.3	Confident	76	Confident	125 Å²	125	78.5 Å²	78.5	58%	0.579	40%	0.396	S	S	*	.	H	α-helix	trans	-71.4	-41.1	172.2	-84.6	-78.1	0	0	0	111.9	K419 H420 E421 K426 Q427	K419-H423 PolarHBondContact O-CD2 2.88Å; K419-H423 PolarHBondContact O-N 3.3Å; H420-H423 PolarHBondContact O-N 3.26Å; E421-H423 VanDerWaalsContact C-N 3.34Å; E421-H423 PolarHBondContact O-N 3.45Å; H423-K426 PolarHBondContact O-N 3.38Å; H423-Q427 PolarHBondContact O-N 3.42Å; H423-Q427 VanDerWaalsContact O-N 3.09Å
424	R	81.6	Confident	74.1	Confident	125 Å²	125	81.6 Å²	81.6	47%	0.472	43%	0.43	S	S	.	.	H	α-helix	trans	-60	-48.5	177	-168	178.4	71.8	-146.7	-2.2	111.8	H420 E421 K426 Q427 E428	H420-R424 PolarHBondContact O-N 3.07Å; E421-R424 PolarHBondContact O-N 3.45Å; R424-K426 VanDerWaalsContact C-N 3.31Å; R424-K426 PolarHBondContact O-N 2.84Å; R424-Q427 WeakPolarHBondContact O-CB 3.44Å; R424-Q427 PolarHBondContact O-N 3.28Å; R424-E428 WeakPolarHBondContact CG-OE1 3.18Å; R424-E428 IonicContact NE-OE1 2.88Å; R424-E428 WeakPolarHBondContact O-CG 3.18Å; R424-E428 PolarHBondContact O-N 3.42Å
425	V	80.4	Confident	71.7	Confident	54 Å²	54	84.6 Å²	84.6	33%	0.327	46%	0.461	S	S	.	.	H	α-helix	trans	-59.3	-39.7	177.4	173.3	0	0	0	0	112	T381 E421 Q427 E428 V429	T381-V425 HydrophobicContact CG2-CG2 4.32Å; E421-V425 PolarHBondContact O-N 3.13Å; E421-V425 VanDerWaalsContact O-N 3.16Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 3.22Å; V425-E428 PolarHBondContact O-N 3.42Å; V425-V429 WeakPolarHBondContact O-CG2 3.32Å; V425-V429 PolarHBondContact O-N 3.37Å
426	K	77.9	Confident	69.3	Low	129 Å²	129	87 Å²	87	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-39.8	174.5	-74.6	172.3	-178.7	179	0	112.2	A422 H423 R424 H430	A422-K426 WeakPolarHBondContact O-CG 3.32Å; A422-K426 PolarHBondContact O-N 3.43Å; H423-K426 PolarHBondContact O-N 3.38Å; R424-K426 VanDerWaalsContact C-N 3.31Å; R424-K426 PolarHBondContact O-N 2.84Å; K426-H430 PolarHBondContact O-N 3.26Å; K426-H430 PolarHBondContact O-ND1 3.14Å
427	Q	74.6	Confident	67.1	Low	148 Å²	148	92.2 Å²	92.2	69%	0.692	54%	0.537	S	S	*	.	H	α-helix	trans	-69.7	-39.4	179.2	-168.1	175.3	7.3	0	0	112.1	H423 R424 V425 H430 R431	H423-Q427 PolarHBondContact O-N 3.42Å; H423-Q427 VanDerWaalsContact O-N 3.09Å; R424-Q427 WeakPolarHBondContact O-CB 3.44Å; R424-Q427 PolarHBondContact O-N 3.28Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 3.22Å; Q427-H430 PolarHBondContact O-N 3.43Å; Q427-R431 PolarHBondContact O-N 3.13Å
428	E	69.5	Low	64.5	Low	104 Å²	104	95.8 Å²	95.8	49%	0.486	57%	0.569	S	S	.	*	H	α-helix	trans	-61.9	-45.1	174.7	-71.4	160.7	172.9	0	0	111.5	R424 V425 H430 R431 G432	R424-E428 WeakPolarHBondContact CG-OE1 3.18Å; R424-E428 IonicContact NE-OE1 2.88Å; R424-E428 WeakPolarHBondContact O-CG 3.18Å; R424-E428 PolarHBondContact O-N 3.42Å; V425-E428 PolarHBondContact O-N 3.42Å; E428-H430 PolarHBondContact O-N 3.07Å; E428-R431 PolarHBondContact O-N 3.25Å; E428-R431 VanDerWaalsContact O-N 3.16Å; E428-G432 PolarHBondContact O-N 3.16Å
429	V	64.3	Low	61.7	Low	98 Å²	98	100 Å²	100	59%	0.594	61%	0.605	S	S	*	*	H	α-helix	trans	-61.7	-41.5	176.1	170.6	0	0	0	0	112.4	V425 R431 G432 A433	V425-V429 WeakPolarHBondContact O-CG2 3.32Å; V425-V429 PolarHBondContact O-N 3.37Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 3.15Å; V429-G432 PolarHBondContact O-N 2.77Å; V429-A433 PolarHBondContact O-N 3.14Å
430	H	56.8	Low	59.4	Low	153 Å²	153	101 Å²	101	71%	0.708	62%	0.622	S	S	*	*	H	α-helix	trans	-67.5	-30.4	176	-75.7	75.2	0	0	0	112.6	K426 Q427 E428	K426-H430 PolarHBondContact O-N 3.26Å; K426-H430 PolarHBondContact O-ND1 3.14Å; Q427-H430 PolarHBondContact O-N 3.43Å; E428-H430 PolarHBondContact O-N 3.07Å
431	R	51.5	Low	56.9	Low	224 Å²	224	104.7 Å²	104.7	85%	0.845	64%	0.64	S	S	*	*	H	α-helix	trans	-74.5	-32	175	-163.3	176.2	-175.6	-172.6	0.6	112.3	Q427 E428 V429	Q427-R431 PolarHBondContact O-N 3.13Å; E428-R431 PolarHBondContact O-N 3.25Å; E428-R431 VanDerWaalsContact O-N 3.16Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 3.15Å
432	G	49.2	Very low	54.1	Low	56 Å²	56	115.3 Å²	115.3	58%	0.577	68%	0.679	S	S	*	*	H	α-helix	trans	-71.8	-28.1	175.4	0	0	0	0	0	114.5	E428 V429 G434	E428-G432 PolarHBondContact O-N 3.16Å; V429-G432 PolarHBondContact O-N 2.77Å; G432-G434 PolarHBondContact O-N 3.26Å; G432-G434 VanDerWaalsContact O-N 3.16Å
433	A	48.5	Very low	51.1	Low	89 Å²	89	118.8 Å²	118.8	74%	0.736	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-5.7	-178.9	0	0	0	0	0	115	V429	V429-A433 PolarHBondContact O-N 3.14Å
434	G	45.3	Very low	48.5	Very low	77 Å²	77	116.8 Å²	116.8	79%	0.794	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	3.6	-174.5	0	0	0	0	0	116.5	G432	G432-G434 PolarHBondContact O-N 3.26Å; G432-G434 VanDerWaalsContact O-N 3.16Å
435	G	37.2	Very low	45.9	Very low	64 Å²	64	118.2 Å²	118.2	66%	0.66	72%	0.717	S	S	*	*	S	Bend	trans	-144.1	127.6	-172.5	0	0	0	0	0	115.1
436	G	35.7	Very low	43.5	Very low	76 Å²	76	120.7 Å²	120.7	78%	0.784	74%	0.737	S	S	*	*			trans	86.1	70.5	159.1	0	0	0	0	0	116.8	A438	G436-A438 PolarHBondContact O-N 3.44Å
437	A	37.4	Very low	41.2	Very low	120 Å²	120	123.7 Å²	123.7	99%	0.992	75%	0.753	S	S	*	*			trans	-73.9	98.7	154.1	0	0	0	0	0	109.1
438	A	32.2	Very low	39	Very low	92 Å²	92	120.2 Å²	120.2	76%	0.76	76%	0.757	S	S	*	*			trans	-116	132.2	171.6	0	0	0	0	0	109.6	G436	G436-A438 PolarHBondContact O-N 3.44Å
439	A	30.6	Very low	37.1	Very low	94 Å²	94	121.4 Å²	121.4	78%	0.777	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.2	147.8	-179.1	0	0	0	0	0	111.4	E441	A439-E441 PolarHBondContact O-N 3.42Å
440	P	37.5	Very low	35.6	Very low	125 Å²	125	125.7 Å²	125.7	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-77.5	118.3	174.2	30.8	-32.5	0	0	0	110.7
441	E	29.6	Very low	34.4	Very low	201 Å²	201	128.5 Å²	128.5	94%	0.939	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.7	161	160.1	-72.8	-136.8	115.6	0	0	111.1	A439	A439-E441 PolarHBondContact O-N 3.42Å
442	R	27.4	Very low	33.1	Very low	231 Å²	231	120.8 Å²	120.8	87%	0.872	79%	0.788	S	S	*	*			trans	-123	160.8	-165.7	-168.6	-170.3	-72.2	-164.7	-2.3	111
443	C	23.6	Very low	32.1	Very low	110 Å²	110	128.4 Å²	128.4	74%	0.743	81%	0.806	S	S	*	*			trans	87.9	140.3	167.3	-72	0	0	0	0	115.5
444	S	28	Very low	31.1	Very low	83 Å²	83	130 Å²	130	58%	0.58	81%	0.806	S	S	*	*			cis	-152.3	148.2	0.9	-119.2	0	0	0	0	111.7
445	D	26.5	Very low	30.1	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	81%	0.811	S	S	*	*			trans	48.7	145.3	145.3	-45.3	-45.7	0	0	0	120.2
446	S	29.9	Very low	29.7	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	82%	0.815	S	S	*	*			cis	-143.3	167	25.7	60.6	0	0	0	0	115.6
447	E	30	Very low	29.4	Very low	191 Å²	191	142 Å²	142	89%	0.893	82%	0.817	S	S	*	*			trans	-3.3	134.8	155.8	-50	-179.5	146.9	0	0	119
448	G	28	Very low	29	Very low	76 Å²	76	144.5 Å²	144.5	78%	0.784	81%	0.813	S	S	*	*			cis	152.5	152.5	-6.7	0	0	0	0	0	113.6
449	S	31	Very low	29	Very low	128 Å²	128	148.8 Å²	148.8	90%	0.895	81%	0.814	S	S	*	*			trans	-169.9	156.1	153.3	-166.3	0	0	0	0	110.9
450	K	31.7	Very low	29.1	Very low	188 Å²	188	150.4 Å²	150.4	82%	0.817	82%	0.817	S	S	*	*			trans	-96	136	-176.1	-88.9	174.9	173.1	170.5	0	112.4
451	F	30.9	Very low	28.7	Very low	213 Å²	213	149.5 Å²	149.5	93%	0.934	81%	0.809	S	S	*	*			trans	167.2	128.4	130.8	-90.4	-65.5	0	0	0	108.3
452	G	25.8	Very low	28.6	Very low	61 Å²	61	146.8 Å²	146.8	63%	0.629	80%	0.801	S	S	*	*			cis	142.4	64.5	-6.2	0	0	0	0	0	113.8
453	F	26.8	Very low	28.6	Very low	217 Å²	217	144 Å²	144	95%	0.952	80%	0.798	S	S	*	*			trans	-136.3	150.8	172	-92.7	-79.3	0	0	0	112.7
454	V	28.8	Very low	28.8	Very low	122 Å²	122	147 Å²	147	74%	0.739	81%	0.806	S	S	*	*			trans	-108.3	134	-164.9	176.9	0	0	0	0	111.3
455	F	24.6	Very low	28.8	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.904	81%	0.814	S	S	*	*			trans	-98.2	126	160.2	-97.9	-90.1	0	0	0	109.7
456	C	28.8	Very low	28.7	Very low	110 Å²	110	149.5 Å²	149.5	74%	0.743	82%	0.815	S	S	*	*			trans	-107.6	135.7	169.6	-74.7	0	0	0	0	110.1
457	N	27.8	Very low	28.5	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	81%	0.814	S	S	*	*			trans	-78.7	146.2	-178.5	-66.5	-81.2	0	0	0	112.2
458	L	29.3	Very low	28.1	Very low	173 Å²	173	148.9 Å²	148.9	91%	0.906	81%	0.809	S	S	*	*			trans	-130.4	126.4	144.7	-84.7	95.8	0	0	0	109.8
459	K	32.2	Very low	28.5	Very low	183 Å²	183	151.1 Å²	151.1	80%	0.796	81%	0.81	S	S	*	*			trans	-89.6	159.6	160.4	-74.2	-174.6	173.8	-173.5	0	109.4
460	P	33	Very low	28.2	Very low	128 Å²	128	150.1 Å²	150.1	83%	0.831	80%	0.798	S	S	*	*			trans	-109.3	168.9	130.8	-11.4	30.1	0	0	0	112.6
461	T	28.3	Very low	27.9	Very low	105 Å²	105	151.7 Å²	151.7	64%	0.644	80%	0.801	S	S	*	*			trans	-125.2	153.2	-176.8	44	0	0	0	0	110.7
462	D	28	Very low	27.6	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	79%	0.793	S	S	*	*			trans	42.3	145.8	139.9	-44.1	-19.1	0	0	0	120
463	E	27.7	Very low	27.6	Very low	171 Å²	171	154.8 Å²	154.8	80%	0.799	81%	0.805	S	S	*	*			cis	-169.9	152.4	-8.1	-116.2	-167	154.2	0	0	106.8
464	L	28.5	Very low	27.5	Very low	174 Å²	174	153 Å²	153	91%	0.911	80%	0.8	S	S	*	*				-169.8	150.8	128.1	-150.8	57.7	0	0	0	113.1
465	M	26.5	Very low	27.3	Very low	152 Å²	152	155.1 Å²	155.1	75%	0.749	80%	0.802	S	S	*	*			trans	-84.6	143.3	-166.6	-90.7	-96.8	-75.9	0	0	117.7
466	T	25.4	Very low	27.2	Very low	138 Å²	138	152 Å²	152	85%	0.847	80%	0.8	S	S	*	*			trans	173.2	150.8	140.6	28.5	0	0	0	0	110
467	S	25.5	Very low	26.9	Very low	105 Å²	105	153.9 Å²	153.9	73%	0.734	80%	0.797	S	S	*	*			cis	-159.4	170.4	-16.2	53.9	0	0	0	0	111.2
468	F	22.3	Very low	26.8	Very low	179 Å²	179	155 Å²	155	79%	0.785	80%	0.797	S	S	*	*			trans	-83.3	170.8	178.4	-83.2	-82.1	0	0	0	113.1
469	P	36.3	Very low	26.6	Very low	124 Å²	124	152.3 Å²	152.3	81%	0.805	79%	0.79	S	S	*	*			cis	-133.8	175.5	20.8	42.4	-24.6	0	0	0	119.2
470	V	24.2	Very low	26.2	Very low	107 Å²	107	148 Å²	148	65%	0.648	79%	0.789	S	S	*	*			trans	-87.7	153.9	176.5	170.7	0	0	0	0	111.5
471	Y	24.9	Very low	26.1	Very low	221 Å²	221	147.4 Å²	147.4	87%	0.867	79%	0.785	S	S	*	*			trans	-139.8	154.4	146.4	-116.2	-84.1	0	0	0	112.4
472	L	24.7	Very low	26.2	Very low	147 Å²	147	148.6 Å²	148.6	77%	0.77	79%	0.794	S	S	*	*			trans	-76.8	149.2	-165.7	-68.7	118.5	0	0	0	115.4
473	Q	25.5	Very low	26.1	Very low	191 Å²	191	149.8 Å²	149.8	89%	0.893	80%	0.795	S	S	*	*			trans	-120.5	134.6	146.9	-166.1	82.7	28.8	0	0	107.4
474	Q	25.8	Very low	26	Very low	180 Å²	180	147.7 Å²	147.7	84%	0.841	79%	0.788	S	S	*	*			trans	-92.5	139.5	-165.9	-168.7	165.4	-7.2	0	0	113
475	Q	23.8	Very low	25.8	Very low	167 Å²	167	149.7 Å²	149.7	78%	0.78	78%	0.783	S	S	*	*			trans	-81	145.8	175	-68.4	-178.8	-53.6	0	0	112.1
476	V	23	Very low	26.1	Very low	141 Å²	141	149.1 Å²	149.1	86%	0.855	78%	0.782	S	S	*	*			trans	-129.5	134.3	152.4	-178.8	0	0	0	0	106.9
477	Q	22.1	Very low	26.1	Very low	149 Å²	149	153.2 Å²	153.2	70%	0.696	78%	0.784	S	S	*	*			trans	-96.5	164.4	-178.6	-66.1	170.6	-39	0	0	111
478	H	25	Very low	26.6	Very low	175 Å²	175	153.4 Å²	153.4	81%	0.81	79%	0.785	S	S	*	*			trans	160	163.8	143.2	-79.9	-50.6	0	0	0	108.9
479	P	26	Very low	26.9	Very low	117 Å²	117	154.4 Å²	154.4	76%	0.76	79%	0.789	S	S	*	*				-117.4	179.8	-96.5	13.8	11.4	0	0	0	113.9
480	A	24.7	Very low	26.7	Very low	92 Å²	92	156.4 Å²	156.4	76%	0.76	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.1	151.8	172.7	0	0	0	0	0	112.5
481	P	30.8	Very low	27	Very low	116 Å²	116	159.1 Å²	159.1	75%	0.753	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80.1	155.9	-178.5	33.5	-36.4	0	0	0	113.1
482	P	30.5	Very low	27.2	Very low	130 Å²	130	151.8 Å²	151.8	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-75.5	157.9	163.7	33.9	-34.2	0	0	0	111.5
483	E	25.1	Very low	27.9	Very low	170 Å²	170	151 Å²	151	79%	0.794	79%	0.793	S	S	*	*			trans	-116.3	170.7	-176.2	-163.2	-166.1	-136.5	0	0	110.9
484	I	26.5	Very low	28.2	Very low	126 Å²	126	147.9 Å²	147.9	65%	0.646	79%	0.79	S	S	*	*			trans	78.6	134.1	167.1	-49.7	172.1	0	0	0	112.2
485	R	23.7	Very low	28.6	Very low	216 Å²	216	143.1 Å²	143.1	82%	0.815	78%	0.781	S	S	*	*			cis	-149.1	163.6	28.6	-146.8	153.6	-131.7	172.8	1.9	113.9
486	I	32.3	Very low	29.6	Very low	140 Å²	140	144.8 Å²	144.8	72%	0.718	79%	0.789	S	S	*	*			trans	-89.5	142.3	171.1	-60.3	167.1	0	0	0	110.9
487	Y	25.7	Very low	30.6	Very low	225 Å²	225	141.4 Å²	141.4	88%	0.882	78%	0.776	S	S	*	*			trans	-148.1	149.5	149.1	-91.7	-71.5	0	0	0	110.3
488	S	34.9	Very low	32	Very low	109 Å²	109	142 Å²	142	76%	0.762	78%	0.779	S	S	*	*			trans	-123.7	132.4	-174.6	-39.9	0	0	0	0	111.7
489	K	29.5	Very low	34.1	Very low	200 Å²	200	140 Å²	140	87%	0.87	76%	0.764	S	S	*	*			trans	-160.3	169.2	148	-144.9	167.4	177.7	-177.4	0	112.4
490	E	33	Very low	36.8	Very low	165 Å²	165	139 Å²	139	77%	0.771	75%	0.752	S	S	*	*			trans	-101.3	178.7	-163.5	-60.9	154.1	122.4	0	0	114.3
491	D	29.6	Very low	39.7	Very low	165 Å²	165	137.3 Å²	137.3	88%	0.882	73%	0.726	S	S	*	*			trans	75.1	124.5	162.9	-63.4	-32.6	0	0	0	121
492	G	28.4	Very low	42.4	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	71%	0.709	S	S	*	*			trans	119.2	116	165.3	0	0	0	0	0	115
493	P	39.6	Very low	45.1	Very low	130 Å²	130	129.3 Å²	129.3	84%	0.844	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-88.3	133.5	-178.6	33.1	-33.2	0	0	0	113.9
494	P	31.8	Very low	47.7	Very low	127 Å²	127	122.2 Å²	122.2	83%	0.825	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-75.9	153.6	156.2	-10.5	28.2	0	0	0	111
495	A	34.7	Very low	49.9	Very low	79 Å²	79	121.4 Å²	121.4	65%	0.653	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-99.8	132.3	-170.9	0	0	0	0	0	114.8	A497	A495-A497 VanDerWaalsContact C-N 3.29Å; A495-A497 PolarHBondContact O-N 2.83Å
496	E	44.1	Very low	52.6	Low	202 Å²	202	116 Å²	116	94%	0.944	61%	0.614	S	S	*	*	S	Bend	trans	55.1	4.4	137.6	-57.8	-174.3	145.9	0	0	121.3
497	A	44.2	Very low	55.2	Low	71 Å²	71	110.2 Å²	110.2	59%	0.587	58%	0.584	S	S	*	*			trans	-87.1	-27	-173.8	0	0	0	0	0	116.9	A495 R499	A495-A497 VanDerWaalsContact C-N 3.29Å; A495-A497 PolarHBondContact O-N 2.83Å; A497-R499 PolarHBondContact O-N 3.43Å
498	E	51.1	Low	58.1	Low	162 Å²	162	105.7 Å²	105.7	76%	0.757	57%	0.574	S	S	*	*	S	Bend	trans	-98.3	28.3	-159.1	-61	-173.9	150.9	0	0	116
499	R	70.4	Confident	60.5	Low	133 Å²	133	101.9 Å²	101.9	50%	0.502	55%	0.549	S	S	.	.			trans	-133.6	28.8	-175.7	-63.9	-163.7	-169.6	170.2	3.4	115.9	A497 E524 V525 L526	A497-R499 PolarHBondContact O-N 3.43Å; R499-E524 WeakPolarHBondContact O-CA 3.17Å; R499-V525 HydrophobicContact CB-CB 4.29Å; R499-V525 WeakPolarHBondContact CD-O 3.4Å; R499-V525 PolarHBondContact O-N 3.37Å; R499-L526 PolarHBondContact NH1-O 3.16Å
500	L	82.1	Confident	62.6	Low	95 Å²	95	102.1 Å²	102.1	50%	0.497	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.5	171.3	-64	178.2	0	0	0	110.9	T522 L523 E524 V553	L500-T522 HydrophobicContact CB-CG2 4.04Å; L500-T522 HydrophobicContact CD2-CG2 4.23Å; L500-L523 WeakPolarHBondContact CA-O 3.43Å; L500-E524 HydrophobicContact CD2-CB 4.42Å; L500-V553 PolarHBondContact O-N 2.86Å
501	Y	86.1	Confident	64.6	Low	57 Å²	57	97.7 Å²	97.7	22%	0.224	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.3	177.8	-76.4	-107.8	0	0	0	109.3	T522 L523 V525 W533 L550 E551 P552	Y501-T522 CarbonylContact O-C 3.47Å; Y501-T522 WeakPolarHBondContact O-CA 3.45Å; Y501-L523 PolarHBondContact N-O 3.04Å; Y501-L523 PolarHBondContact O-N 2.99Å; Y501-V525 HydrophobicContact CD2-CB 4.3Å; Y501-V525 HydrophobicContact CD2-CG2 3.38Å; Y501-V525 HydrophobicContact CE2-CG2 4Å; Y501-V525 HydrophobicContact CG-CG2 3.87Å; Y501-W533 AromaticContact CD1-CZ3 3.91Å; Y501-W533 HydrophobicContact CD1-CZ3 3.91Å; Y501-W533 HydrophobicContact CD2-CZ3 4.42Å; Y501-W533 AromaticContact CE1-CH2 3.98Å; Y501-W533 HydrophobicContact CE1-CH2 3.98Å; Y501-W533 AromaticContact CE1-CZ3 3.59Å; Y501-W533 HydrophobicContact CE1-CZ3 3.59Å; Y501-W533 HydrophobicContact CE2-CZ3 4.15Å; Y501-W533 HydrophobicContact CG-CZ3 4.34Å; Y501-W533 AromaticContact CZ-CZ3 3.73Å; Y501-L550 HydrophobicContact CD1-CB 4.11Å; Y501-E551 CarbonylContact C-O 3.48Å; Y501-E551 WeakPolarHBondContact CA-O 3.26Å; Y501-P552 HydrophobicContact CD1-CB 4.22Å; Y501-P552 HydrophobicContact CE1-CB 3.8Å
502	M	87.6	Confident	66.8	Low	78 Å²	78	98.2 Å²	98.2	38%	0.384	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.2	176	-175.7	170.4	61.7	0	0	110.2	S504 E551 V553	M502-S504 PolarHBondContact O-N 3.07Å; M502-E551 PolarHBondContact N-O 2.82Å; M502-E551 PolarHBondContact O-N 3.13Å; M502-V553 HydrophobicContact CB-CG2 3.96Å
503	C	87.6	Confident	69.3	Low	0 Å²	0	98.6 Å²	98.6	0%	0	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.9	176.7	-158.6	0	0	0	0	110	Y505 V517 Q518 Q519 G520 E521 L523 V549	C503-Y505 PolarHBondContact SG-O 3.12Å; C503-V517 WeakPolarHBondContact SG-CG2 3.13Å; C503-Q518 WeakPolarHBondContact CB-O 3.43Å; C503-Q519 CarbonylContact O-C 3.55Å; C503-Q519 WeakPolarHBondContact O-CA 3.37Å; C503-G520 PolarHBondContact O-N 3.38Å; C503-E521 HydrophobicContact CB-CB 4.42Å; C503-E521 WeakPolarHBondContact CB-O 3.36Å; C503-E521 PolarHBondContact N-O 3.07Å; C503-L523 HydrophobicContact CB-CD1 4.48Å; C503-V549 CarbonylContact C-O 3.58Å; C503-V549 WeakPolarHBondContact CA-O 3.39Å
504	S	79.8	Confident	71.7	Confident	21 Å²	21	93.9 Å²	93.9	15%	0.147	49%	0.488	C	S	.	.	S	Bend	trans	-83	-14.6	-172.4	61.5	0	0	0	0	114.2	M502 Q519 V549 E551	M502-S504 PolarHBondContact O-N 3.07Å; S504-Q519 WeakPolarHBondContact O-CG 3.32Å; S504-Q519 PolarHBondContact O-NE2 3.39Å; S504-V549 PolarHBondContact N-O 3.35Å; S504-V549 PolarHBondContact OG-O 2.91Å; S504-E551 WeakPolarHBondContact CB-OE1 3.41Å
505	Y	71	Confident	74.4	Confident	108 Å²	108	88.2 Å²	88.2	42%	0.424	45%	0.451	S	S	.	.	S	Bend	trans	-156.7	163.4	170.5	53.9	-89.6	0	0	0	111.2	C503 T548 V549	C503-Y505 PolarHBondContact SG-O 3.12Å; Y505-T548 WeakPolarHBondContact CE1-O 3.37Å; Y505-T548 PolarHBondContact OH-O 2.9Å; Y505-T548 PolarHBondContact OH-OG1 3.05Å; Y505-V549 HydrophobicContact CD2-CG1 4.46Å; Y505-V549 HydrophobicContact CE1-CB 4.45Å; Y505-V549 HydrophobicContact CE2-CB 4.24Å; Y505-V549 HydrophobicContact CE2-CG1 3.7Å
506	D	80.4	Confident	77	Confident	103 Å²	103	87.3 Å²	87.3	55%	0.551	44%	0.44	S	S	*	.			trans	-62.5	138.1	-179	-74.6	-8.1	0	0	0	112.8	Q518 Q519	D506-Q518 WeakPolarHBondContact OD1-CA 3.41Å; D506-Q519 PolarHBondContact OD1-N 2.63Å
507	F	87.4	Confident	79.2	Confident	18 Å²	18	77.9 Å²	77.9	8%	0.079	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-135	132	171.3	174.2	-97.9	0	0	0	111.1	E514 L515 S516 V517 W532 V545 P546 V549	F507-E514 HydrophobicContact CE1-CB 4.39Å; F507-L515 VanDerWaalsContact CD1-O 3.25Å; F507-L515 WeakPolarHBondContact CD1-O 3.36Å; F507-L515 WeakPolarHBondContact CE1-O 3.32Å; F507-S516 CarbonylContact O-C 3.59Å; F507-S516 WeakPolarHBondContact O-CA 3.49Å; F507-V517 HydrophobicContact CB-CG2 3.91Å; F507-V517 HydrophobicContact CD1-CG2 4.28Å; F507-V517 PolarHBondContact N-O 2.89Å; F507-V517 PolarHBondContact O-N 2.7Å; F507-V517 VanDerWaalsContact O-O 3.07Å; F507-W532 HydrophobicContact CE1-CZ3 4.33Å; F507-W532 HydrophobicContact CE2-CH2 4.32Å; F507-W532 HydrophobicContact CE2-CZ3 4.41Å; F507-W532 AromaticContact CZ-CH2 3.88Å; F507-W532 HydrophobicContact CZ-CH2 3.88Å; F507-W532 AromaticContact CZ-CZ3 3.7Å; F507-W532 HydrophobicContact CZ-CZ3 3.7Å; F507-V545 HydrophobicContact CD1-CB 4.46Å; F507-V545 HydrophobicContact CD1-CG1 4.13Å; F507-V545 HydrophobicContact CE1-CG1 4.36Å; F507-P546 HydrophobicContact CD2-CG 4Å; F507-P546 HydrophobicContact CE2-CG 3.68Å; F507-P546 HydrophobicContact CZ-CG 4.14Å; F507-V549 HydrophobicContact CB-CG1 4.21Å; F507-V549 HydrophobicContact CG-CG1 4.49Å
508	I	87.8	Confident	81.2	Confident	131 Å²	131	80.3 Å²	80.3	67%	0.672	40%	0.395	S	S	*	.			trans	-113.7	122.7	-178.1	-56	176.9	0	0	0	108.9
509	A	84.6	Confident	82.8	Confident	29 Å²	29	79.2 Å²	79.2	24%	0.24	39%	0.39	C	S	.	.			trans	-62	137.2	176.7	0	0	0	0	0	112.3	E514 S516	A509-E514 HydrophobicContact CB-CB 3.55Å; A509-E514 WeakPolarHBondContact CB-O 3.3Å; A509-S516 WeakPolarHBondContact CB-OG 3.42Å; A509-S516 PolarHBondContact N-OG 3.46Å
510	R	73.4	Confident	83.2	Confident	204 Å²	204	75 Å²	75	77%	0.77	39%	0.388	S	S	*	.	S	Bend	trans	-104.5	-8.9	-176.5	-55.8	170.9	-171.1	179.3	1.4	113.1	E514	R510-E514 WeakPolarHBondContact CB-OE2 3.42Å; R510-E514 WeakPolarHBondContact CG-OE2 3.21Å; R510-E514 PolarHBondContact N-OE2 2.79Å
511	N	74.5	Confident	83.6	Confident	72 Å²	72	71 Å²	71	39%	0.385	37%	0.367	S	S	.	.	S	Bend	trans	-157.3	169.1	179	59.4	71.7	0	0	0	109.7	S513 E514	N511-S513 PolarHBondContact O-N 3.18Å; N511-S513 WeakPolarHBondContact OD1-CA 3.42Å; N511-S513 WeakPolarHBondContact OD1-CB 3.4Å; N511-S513 PolarHBondContact OD1-N 3.14Å; N511-E514 VanDerWaalsContact ND2-CD 3.28Å; N511-E514 PolarHBondContact ND2-OE1 2.7Å; N511-E514 PolarHBondContact O-N 3.42Å; N511-E514 VanDerWaalsContact O-N 3.13Å; N511-E514 PolarHBondContact OD1-N 3.1Å
512	N	75.9	Confident	83.7	Confident	176 Å²	176	71.5 Å²	71.5	94%	0.941	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	1	-174.3	-58.5	-4.6	0	0	0	114.7
513	S	82.2	Confident	83.9	Confident	74 Å²	74	67.9 Å²	67.9	52%	0.517	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-15.9	173.6	-56.7	0	0	0	0	112.9	N511 G543 F544	N511-S513 PolarHBondContact O-N 3.18Å; N511-S513 WeakPolarHBondContact OD1-CA 3.42Å; N511-S513 WeakPolarHBondContact OD1-CB 3.4Å; N511-S513 PolarHBondContact OD1-N 3.14Å; S513-G543 CarbonylContact O-C 3.59Å; S513-G543 WeakPolarHBondContact O-CA 3.14Å; S513-F544 WeakPolarHBondContact O-CD2 3.29Å; S513-F544 PolarHBondContact O-N 3.07Å
514	E	88.9	Confident	84.1	Confident	32 Å²	32	71.4 Å²	71.4	15%	0.15	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-88.2	155.6	175.6	-70.3	172	-157.2	0	0	111.2	F507 A509 R510 N511 W532 F544	F507-E514 HydrophobicContact CE1-CB 4.39Å; A509-E514 HydrophobicContact CB-CB 3.55Å; A509-E514 WeakPolarHBondContact CB-O 3.3Å; R510-E514 WeakPolarHBondContact CB-OE2 3.42Å; R510-E514 WeakPolarHBondContact CG-OE2 3.21Å; R510-E514 PolarHBondContact N-OE2 2.79Å; N511-E514 VanDerWaalsContact ND2-CD 3.28Å; N511-E514 PolarHBondContact ND2-OE1 2.7Å; N511-E514 PolarHBondContact O-N 3.42Å; N511-E514 VanDerWaalsContact O-N 3.13Å; N511-E514 PolarHBondContact OD1-N 3.1Å; E514-W532 HydrophobicContact CG-CH2 4.1Å; E514-W532 HydrophobicContact CG-CZ3 3.78Å; E514-F544 VanDerWaalsContact CA-O 3.29Å; E514-F544 WeakPolarHBondContact CA-O 3.38Å
515	L	88.9	Confident	84.5	Confident	8 Å²	8	70.6 Å²	70.6	4%	0.042	37%	0.368	C	S	.	.			trans	-112.8	121.6	178.8	-172.5	67.2	0	0	0	110.7	F507 V517 C535 N537 Q541 F544 V545	F507-L515 VanDerWaalsContact CD1-O 3.25Å; F507-L515 WeakPolarHBondContact CD1-O 3.36Å; F507-L515 WeakPolarHBondContact CE1-O 3.32Å; L515-V517 HydrophobicContact CB-CG1 4.49Å; L515-V517 HydrophobicContact CD2-CG1 3.91Å; L515-V517 HydrophobicContact CG-CG1 3.83Å; L515-C535 HydrophobicContact CD2-CB 4.4Å; L515-N537 HydrophobicContact CD2-CB 4.16Å; L515-Q541 HydrophobicContact CD1-CB 3.79Å; L515-F544 PolarHBondContact N-O 3.3Å; L515-V545 HydrophobicContact CB-CG1 3.95Å; L515-V545 WeakPolarHBondContact O-CG1 3.5Å
516	S	89.4	Confident	85.2	Confident	60 Å²	60	67.8 Å²	67.8	42%	0.42	36%	0.36	S	S	.	.			trans	-74.5	131.5	171	-64.5	0	0	0	0	110.1	F507 A509	F507-S516 CarbonylContact O-C 3.59Å; F507-S516 WeakPolarHBondContact O-CA 3.49Å; A509-S516 WeakPolarHBondContact CB-OG 3.42Å; A509-S516 PolarHBondContact N-OG 3.46Å
517	V	88.9	Confident	85.2	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.024	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-145.8	147.3	-173.3	-64.8	0	0	0	0	110.5	C503 F507 L515 L523 V545	C503-V517 WeakPolarHBondContact SG-CG2 3.13Å; F507-V517 HydrophobicContact CB-CG2 3.91Å; F507-V517 HydrophobicContact CD1-CG2 4.28Å; F507-V517 PolarHBondContact N-O 2.89Å; F507-V517 PolarHBondContact O-N 2.7Å; F507-V517 VanDerWaalsContact O-O 3.07Å; L515-V517 HydrophobicContact CB-CG1 4.49Å; L515-V517 HydrophobicContact CD2-CG1 3.91Å; L515-V517 HydrophobicContact CG-CG1 3.83Å; V517-L523 HydrophobicContact CB-CD1 4.16Å; V517-L523 HydrophobicContact CB-CD2 4.45Å; V517-L523 HydrophobicContact CG1-CD1 3.74Å; V517-L523 HydrophobicContact CG1-CD2 3.66Å; V517-L523 HydrophobicContact CG1-CG 4.33Å; V517-L523 HydrophobicContact CG2-CD1 4.32Å; V517-V545 HydrophobicContact CG1-CG1 4.24Å; V517-V545 HydrophobicContact CG2-CG1 4.01Å
518	Q	86.8	Confident	84.6	Confident	122 Å²	122	70.4 Å²	70.4	57%	0.57	38%	0.378	S	S	*	.			trans	-108.4	154.1	-175.7	-69.5	-174.7	-42.1	0	0	113.1	C503 D506 G520 E521	C503-Q518 WeakPolarHBondContact CB-O 3.43Å; D506-Q518 WeakPolarHBondContact OD1-CA 3.41Å; Q518-G520 PolarHBondContact O-N 3.01Å; Q518-E521 PolarHBondContact N-OE2 3.19Å; Q518-E521 WeakPolarHBondContact O-CB 3.18Å; Q518-E521 PolarHBondContact O-N 2.95Å
519	Q	84.9	Confident	83.7	Confident	139 Å²	139	67.1 Å²	67.1	65%	0.65	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128.8	173.7	-173.3	171.9	51.1	0	0	111.2	C503 S504 D506 E521	C503-Q519 CarbonylContact O-C 3.55Å; C503-Q519 WeakPolarHBondContact O-CA 3.37Å; S504-Q519 WeakPolarHBondContact O-CG 3.32Å; S504-Q519 PolarHBondContact O-NE2 3.39Å; D506-Q519 PolarHBondContact OD1-N 2.63Å; Q519-E521 VanDerWaalsContact C-N 3.35Å
520	G	79.6	Confident	82.3	Confident	44 Å²	44	75.5 Å²	75.5	45%	0.454	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-0.7	-174.3	0	0	0	0	0	115.1	C503 Q518	C503-G520 PolarHBondContact O-N 3.38Å; Q518-G520 PolarHBondContact O-N 3.01Å
521	E	89.2	Confident	82.1	Confident	12 Å²	12	75 Å²	75	6%	0.056	40%	0.395	C	S	.	.			trans	-75.3	125.7	175.5	179.4	157.6	-146.5	0	0	111.9	C503 Q518 Q519 L523 R538	C503-E521 HydrophobicContact CB-CB 4.42Å; C503-E521 WeakPolarHBondContact CB-O 3.36Å; C503-E521 PolarHBondContact N-O 3.07Å; Q518-E521 PolarHBondContact N-OE2 3.19Å; Q518-E521 WeakPolarHBondContact O-CB 3.18Å; Q518-E521 PolarHBondContact O-N 2.95Å; Q519-E521 VanDerWaalsContact C-N 3.35Å; E521-L523 HydrophobicContact CG-CD2 3.82Å; E521-L523 HydrophobicContact CG-CG 4.42Å; E521-R538 IonicContact OE1-CZ 3.14Å; E521-R538 IonicContact OE1-NH1 3.34Å; E521-R538 PolarHBondContact OE1-NH1 3.31Å; E521-R538 IonicContact OE2-NH1 3.8Å
522	T	89.8	Confident	82.5	Confident	67 Å²	67	76 Å²	76	41%	0.411	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134	170.7	-39.9	0	0	0	0	111.1	L500 Y501 V553	L500-T522 HydrophobicContact CB-CG2 4.04Å; L500-T522 HydrophobicContact CD2-CG2 4.23Å; Y501-T522 CarbonylContact O-C 3.47Å; Y501-T522 WeakPolarHBondContact O-CA 3.45Å; T522-V553 HydrophobicContact CG2-CG2 4.35Å
523	L	91.3	Very high	83.2	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.1	-177.2	-55.9	174.2	0	0	0	110.4	L500 Y501 C503 V517 E521 C535 R536 N537 L550	L500-L523 WeakPolarHBondContact CA-O 3.43Å; Y501-L523 PolarHBondContact N-O 3.04Å; Y501-L523 PolarHBondContact O-N 2.99Å; C503-L523 HydrophobicContact CB-CD1 4.48Å; V517-L523 HydrophobicContact CB-CD1 4.16Å; V517-L523 HydrophobicContact CB-CD2 4.45Å; V517-L523 HydrophobicContact CG1-CD1 3.74Å; V517-L523 HydrophobicContact CG1-CD2 3.66Å; V517-L523 HydrophobicContact CG1-CG 4.33Å; V517-L523 HydrophobicContact CG2-CD1 4.32Å; E521-L523 HydrophobicContact CG-CD2 3.82Å; E521-L523 HydrophobicContact CG-CG 4.42Å; L523-C535 HydrophobicContact CB-CB 4.2Å; L523-C535 HydrophobicContact CD1-CB 4.33Å; L523-R536 WeakPolarHBondContact CA-O 3.39Å; L523-N537 HydrophobicContact CD2-CB 3.63Å; L523-L550 HydrophobicContact CD1-CD2 3.68Å
524	E	90.6	Very high	83.6	Confident	74 Å²	74	69.6 Å²	69.6	35%	0.346	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.4	172	179.1	-161.7	173.3	0	0	109.3	R499 L500 L526 C535 R536	R499-E524 WeakPolarHBondContact O-CA 3.17Å; L500-E524 HydrophobicContact CD2-CB 4.42Å; E524-L526 HydrophobicContact CG-CD2 4.04Å; E524-L526 PolarHBondContact O-N 3.21Å; E524-L526 VanDerWaalsContact OE1-CD2 3.31Å; E524-L526 WeakPolarHBondContact OE1-CD2 3.45Å; E524-C535 CarbonylContact O-C 3.44Å; E524-C535 VanDerWaalsContact O-CA 3.24Å; E524-C535 WeakPolarHBondContact O-CA 3.49Å; E524-R536 HydrophobicContact CB-CB 4.31Å; E524-R536 PolarHBondContact N-O 3.17Å; E524-R536 PolarHBondContact O-N 3.41Å; E524-R536 IonicContact OE1-NH1 3.07Å; E524-R536 PolarHBondContact OE1-NH1 2.86Å; E524-R536 WeakPolarHBondContact OE2-CD 3.18Å; E524-R536 IonicContact OE2-CZ 3.34Å; E524-R536 IonicContact OE2-NE 2.61Å; E524-R536 IonicContact OE2-NH1 3.51Å; E524-R536 PolarHBondContact OE2-NH1 2.69Å
525	V	89.5	Confident	83.8	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	102.8	178.7	-178.8	0	0	0	0	110.1	R499 Y501 W533 L550	R499-V525 HydrophobicContact CB-CB 4.29Å; R499-V525 WeakPolarHBondContact CD-O 3.4Å; R499-V525 PolarHBondContact O-N 3.37Å; Y501-V525 HydrophobicContact CD2-CB 4.3Å; Y501-V525 HydrophobicContact CD2-CG2 3.38Å; Y501-V525 HydrophobicContact CE2-CG2 4Å; Y501-V525 HydrophobicContact CG-CG2 3.87Å; V525-W533 HydrophobicContact CB-CE3 4.34Å; V525-W533 HydrophobicContact CG1-CB 4.4Å; V525-W533 HydrophobicContact CG1-CD2 4.2Å; V525-W533 HydrophobicContact CG1-CE3 3.65Å; V525-W533 HydrophobicContact CG1-CZ3 4.29Å; V525-W533 HydrophobicContact CG2-CE3 3.71Å; V525-W533 HydrophobicContact CG2-CZ3 4.09Å; V525-L550 HydrophobicContact CG2-CD1 4.38Å
526	L	84.3	Confident	83.9	Confident	50 Å²	50	72.2 Å²	72.2	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-42.3	177	-53.9	-179.8	0	0	0	111.2	R499 E524 K534 R536	R499-L526 PolarHBondContact NH1-O 3.16Å; E524-L526 HydrophobicContact CG-CD2 4.04Å; E524-L526 PolarHBondContact O-N 3.21Å; E524-L526 VanDerWaalsContact OE1-CD2 3.31Å; E524-L526 WeakPolarHBondContact OE1-CD2 3.45Å; L526-K534 WeakPolarHBondContact CB-O 3.22Å; L526-K534 PolarHBondContact N-O 3.4Å; L526-R536 HydrophobicContact CD1-CB 4.21Å; L526-R536 HydrophobicContact CD2-CB 4.42Å; L526-R536 HydrophobicContact CG-CB 4.33Å
527	E	80.4	Confident	83.8	Confident	100 Å²	100	69.8 Å²	69.8	47%	0.467	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	115.7	-172	-169.2	-179.1	-176.1	0	0	111.5	W533 K534	E527-W533 CarbonylContact O-C 3.45Å; E527-W533 WeakPolarHBondContact O-CA 3.23Å; E527-K534 HydrophobicContact CB-CB 3.78Å; E527-K534 HydrophobicContact CB-CD 4.5Å; E527-K534 PolarHBondContact N-O 3.34Å; E527-K534 PolarHBondContact O-N 3.09Å
528	S	75.7	Confident	83.6	Confident	75 Å²	75	77.1 Å²	77.1	52%	0.524	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	89.2	-176.4	45.9	0	0	0	0	112.5
529	S	67.9	Low	83.3	Confident	63 Å²	63	77.6 Å²	77.6	44%	0.441	37%	0.365	S	S	.	.			trans	-89.7	159.1	174.9	-102.5	0	0	0	0	113	R531 W532 W533	S529-R531 PolarHBondContact O-N 3.39Å; S529-W532 WeakPolarHBondContact CB-O 3.37Å; S529-W533 PolarHBondContact O-NE1 2.81Å
530	K	56.1	Low	83	Confident	205 Å²	205	73.3 Å²	73.3	89%	0.891	36%	0.359	S	S	*	.	S	Bend	trans	-60.1	-6.5	-168	-68.8	-176.8	179.3	178	0	117.5
531	R	70.3	Confident	83.2	Confident	192 Å²	192	76.7 Å²	76.7	73%	0.725	36%	0.363	S	S	*	.	S	Bend	trans	-145.2	-31.9	-179.9	-61.3	-173.7	77.6	172.3	5	114.6	S529 F547	S529-R531 PolarHBondContact O-N 3.39Å; R531-F547 PolarHBondContact O-N 3.34Å
532	W	82.9	Confident	83.1	Confident	93 Å²	93	79.4 Å²	79.4	35%	0.352	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.7	177.2	-71.2	82.4	0	0	0	108.8	F507 E514 S529 F544 V545 P546	F507-W532 HydrophobicContact CE1-CZ3 4.33Å; F507-W532 HydrophobicContact CE2-CH2 4.32Å; F507-W532 HydrophobicContact CE2-CZ3 4.41Å; F507-W532 AromaticContact CZ-CH2 3.88Å; F507-W532 HydrophobicContact CZ-CH2 3.88Å; F507-W532 AromaticContact CZ-CZ3 3.7Å; F507-W532 HydrophobicContact CZ-CZ3 3.7Å; E514-W532 HydrophobicContact CG-CH2 4.1Å; E514-W532 HydrophobicContact CG-CZ3 3.78Å; S529-W532 WeakPolarHBondContact CB-O 3.37Å; W532-F544 HydrophobicContact CB-CB 4.44Å; W532-F544 HydrophobicContact CB-CD1 4.41Å; W532-F544 HydrophobicContact CE3-CB 3.91Å; W532-V545 CarbonylContact C-O 3.51Å; W532-V545 WeakPolarHBondContact CA-O 3.38Å; W532-P546 HydrophobicContact CE3-CG 4.11Å; W532-P546 HydrophobicContact CH2-CG 3.98Å; W532-P546 HydrophobicContact CZ2-CG 4.35Å; W532-P546 HydrophobicContact CZ3-CG 3.83Å
533	W	90.6	Very high	83	Confident	44 Å²	44	76.4 Å²	76.4	17%	0.167	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.7	-179	-70.6	10.8	0	0	0	109.4	Y501 V525 E527 S529 C535 F544 V545 F547 L550	Y501-W533 AromaticContact CD1-CZ3 3.91Å; Y501-W533 HydrophobicContact CD1-CZ3 3.91Å; Y501-W533 HydrophobicContact CD2-CZ3 4.42Å; Y501-W533 AromaticContact CE1-CH2 3.98Å; Y501-W533 HydrophobicContact CE1-CH2 3.98Å; Y501-W533 AromaticContact CE1-CZ3 3.59Å; Y501-W533 HydrophobicContact CE1-CZ3 3.59Å; Y501-W533 HydrophobicContact CE2-CZ3 4.15Å; Y501-W533 HydrophobicContact CG-CZ3 4.34Å; Y501-W533 AromaticContact CZ-CZ3 3.73Å; V525-W533 HydrophobicContact CB-CE3 4.34Å; V525-W533 HydrophobicContact CG1-CB 4.4Å; V525-W533 HydrophobicContact CG1-CD2 4.2Å; V525-W533 HydrophobicContact CG1-CE3 3.65Å; V525-W533 HydrophobicContact CG1-CZ3 4.29Å; V525-W533 HydrophobicContact CG2-CE3 3.71Å; V525-W533 HydrophobicContact CG2-CZ3 4.09Å; E527-W533 CarbonylContact O-C 3.45Å; E527-W533 WeakPolarHBondContact O-CA 3.23Å; S529-W533 PolarHBondContact O-NE1 2.81Å; W533-C535 PolarHBondContact O-N 3.12Å; W533-F544 WeakPolarHBondContact O-CA 3.33Å; W533-V545 PolarHBondContact N-O 3.06Å; W533-V545 PolarHBondContact O-N 2.93Å; W533-F547 HydrophobicContact CD2-CB 4.08Å; W533-F547 HydrophobicContact CG-CB 4.12Å; W533-F547 HydrophobicContact CZ2-CB 4.31Å; W533-L550 HydrophobicContact CB-CD1 4.19Å; W533-L550 HydrophobicContact CD2-CD1 4.12Å; W533-L550 HydrophobicContact CE3-CD1 3.47Å; W533-L550 VanDerWaalsContact CE3-CD1 3.47Å; W533-L550 HydrophobicContact CG-CD1 4.44Å; W533-L550 HydrophobicContact CZ3-CD1 4.19Å
534	K	89.9	Confident	82.9	Confident	73 Å²	73	79.9 Å²	79.9	32%	0.317	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	110.5	174.5	-160.3	-179.3	-175.5	175.5	0	107.8	L526 E527 F544	L526-K534 WeakPolarHBondContact CB-O 3.22Å; L526-K534 PolarHBondContact N-O 3.4Å; E527-K534 HydrophobicContact CB-CB 3.78Å; E527-K534 HydrophobicContact CB-CD 4.5Å; E527-K534 PolarHBondContact N-O 3.34Å; E527-K534 PolarHBondContact O-N 3.09Å; K534-F544 HydrophobicContact CB-CD1 3.94Å; K534-F544 HydrophobicContact CB-CE1 3.66Å; K534-F544 HydrophobicContact CB-CZ 4.34Å; K534-F544 HydrophobicContact CD-CE1 4.32Å; K534-F544 HydrophobicContact CD-CZ 4.2Å; K534-F544 HydrophobicContact CG-CD1 4.33Å; K534-F544 HydrophobicContact CG-CE1 3.99Å; K534-F544 HydrophobicContact CG-CZ 4.2Å
535	C	92.8	Very high	82.8	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	158.1	-176.7	-61.2	0	0	0	0	110.5	L515 L523 E524 W533 S542 G543 V545	L515-C535 HydrophobicContact CD2-CB 4.4Å; L523-C535 HydrophobicContact CB-CB 4.2Å; L523-C535 HydrophobicContact CD1-CB 4.33Å; E524-C535 CarbonylContact O-C 3.44Å; E524-C535 VanDerWaalsContact O-CA 3.24Å; E524-C535 WeakPolarHBondContact O-CA 3.49Å; W533-C535 PolarHBondContact O-N 3.12Å; C535-S542 CarbonylContact O-C 3.51Å; C535-S542 WeakPolarHBondContact O-CA 3.44Å; C535-G543 PolarHBondContact N-O 2.66Å; C535-G543 PolarHBondContact O-N 3.42Å; C535-V545 HydrophobicContact CB-CG2 4.18Å; C535-V545 VanDerWaalsContact SG-CG2 3.53Å
536	R	90.6	Very high	82.6	Confident	94 Å²	94	77.3 Å²	77.3	36%	0.355	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.2	167.9	-173.4	-172.2	-70.5	136.2	-7.8	109	L523 E524 L526 Q541	L523-R536 WeakPolarHBondContact CA-O 3.39Å; E524-R536 HydrophobicContact CB-CB 4.31Å; E524-R536 PolarHBondContact N-O 3.17Å; E524-R536 PolarHBondContact O-N 3.41Å; E524-R536 IonicContact OE1-NH1 3.07Å; E524-R536 PolarHBondContact OE1-NH1 2.86Å; E524-R536 WeakPolarHBondContact OE2-CD 3.18Å; E524-R536 IonicContact OE2-CZ 3.34Å; E524-R536 IonicContact OE2-NE 2.61Å; E524-R536 IonicContact OE2-NH1 3.51Å; E524-R536 PolarHBondContact OE2-NH1 2.69Å; L526-R536 HydrophobicContact CD1-CB 4.21Å; L526-R536 HydrophobicContact CD2-CB 4.42Å; L526-R536 HydrophobicContact CG-CB 4.33Å; R536-Q541 CarbonylContact C-O 3.56Å; R536-Q541 VanDerWaalsContact CA-O 3.29Å; R536-Q541 WeakPolarHBondContact CA-O 3.48Å
537	N	88.4	Confident	82.4	Confident	9 Å²	9	79.4 Å²	79.4	5%	0.048	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	170.8	174.8	70.4	13.2	0	0	0	112	L515 L523 F539 G540 Q541	L515-N537 HydrophobicContact CD2-CB 4.16Å; L523-N537 HydrophobicContact CD2-CB 3.63Å; N537-F539 PolarHBondContact O-N 2.98Å; N537-F539 WeakPolarHBondContact OD1-CA 3.49Å; N537-F539 WeakPolarHBondContact OD1-CB 3.41Å; N537-F539 PolarHBondContact OD1-N 3.19Å; N537-G540 PolarHBondContact O-N 3.03Å; N537-G540 PolarHBondContact OD1-N 3.17Å; N537-Q541 PolarHBondContact N-O 3.1Å; N537-Q541 PolarHBondContact ND2-OE1 2.88Å; N537-Q541 WeakPolarHBondContact OD1-CB 3.47Å; N537-Q541 PolarHBondContact OD1-N 2.93Å; N537-Q541 PolarHBondContact OD1-O 2.88Å
538	R	83.4	Confident	82.6	Confident	158 Å²	158	78.1 Å²	78.1	60%	0.596	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12	177.5	69.9	-174.3	-172.7	-96.6	13.1	115	E521	E521-R538 IonicContact OE1-CZ 3.14Å; E521-R538 IonicContact OE1-NH1 3.34Å; E521-R538 PolarHBondContact OE1-NH1 3.31Å; E521-R538 IonicContact OE2-NH1 3.8Å
539	F	81.1	Confident	83.1	Confident	133 Å²	133	74.6 Å²	74.6	58%	0.583	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	6.2	175.6	-52.7	-78.5	0	0	0	112.8	N537 Q541	N537-F539 PolarHBondContact O-N 2.98Å; N537-F539 WeakPolarHBondContact OD1-CA 3.49Å; N537-F539 WeakPolarHBondContact OD1-CB 3.41Å; N537-F539 PolarHBondContact OD1-N 3.19Å; F539-Q541 HydrophobicContact CB-CG 4.46Å; F539-Q541 PolarHBondContact O-N 3.24Å
540	G	79.5	Confident	83.9	Confident	49 Å²	49	72.4 Å²	72.4	51%	0.505	34%	0.335	S	S	.	.	S	Bend	trans	78.9	-1.5	179.4	0	0	0	0	0	114.7	N537	N537-G540 PolarHBondContact O-N 3.03Å; N537-G540 PolarHBondContact OD1-N 3.17Å
541	Q	82.4	Confident	85.1	Confident	115 Å²	115	67.5 Å²	67.5	54%	0.537	32%	0.315	S	S	.	.			trans	-75.2	134.2	178.1	-57.9	170.1	-39.3	0	0	109.6	L515 R536 N537 F539	L515-Q541 HydrophobicContact CD1-CB 3.79Å; R536-Q541 CarbonylContact C-O 3.56Å; R536-Q541 VanDerWaalsContact CA-O 3.29Å; R536-Q541 WeakPolarHBondContact CA-O 3.48Å; N537-Q541 PolarHBondContact N-O 3.1Å; N537-Q541 PolarHBondContact ND2-OE1 2.88Å; N537-Q541 WeakPolarHBondContact OD1-CB 3.47Å; N537-Q541 PolarHBondContact OD1-N 2.93Å; N537-Q541 PolarHBondContact OD1-O 2.88Å; F539-Q541 HydrophobicContact CB-CG 4.46Å; F539-Q541 PolarHBondContact O-N 3.24Å
542	S	88.3	Confident	85.5	Confident	68 Å²	68	62 Å²	62	48%	0.476	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.8	179.2	66.9	0	0	0	0	112.6	C535	C535-S542 CarbonylContact O-C 3.51Å; C535-S542 WeakPolarHBondContact O-CA 3.44Å
543	G	86.6	Confident	85.2	Confident	5 Å²	5	60.5 Å²	60.5	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-178.9	177.1	0	0	0	0	0	111.2	S513 C535	S513-G543 CarbonylContact O-C 3.59Å; S513-G543 WeakPolarHBondContact O-CA 3.14Å; C535-G543 PolarHBondContact N-O 2.66Å; C535-G543 PolarHBondContact O-N 3.42Å
544	F	90.7	Very high	83.2	Confident	73 Å²	73	64.8 Å²	64.8	32%	0.32	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	138.1	-178.8	-65.5	-78.3	0	0	0	112.3	S513 E514 L515 W532 W533 K534	S513-F544 WeakPolarHBondContact O-CD2 3.29Å; S513-F544 PolarHBondContact O-N 3.07Å; E514-F544 VanDerWaalsContact CA-O 3.29Å; E514-F544 WeakPolarHBondContact CA-O 3.38Å; L515-F544 PolarHBondContact N-O 3.3Å; W532-F544 HydrophobicContact CB-CB 4.44Å; W532-F544 HydrophobicContact CB-CD1 4.41Å; W532-F544 HydrophobicContact CE3-CB 3.91Å; W533-F544 WeakPolarHBondContact O-CA 3.33Å; K534-F544 HydrophobicContact CB-CD1 3.94Å; K534-F544 HydrophobicContact CB-CE1 3.66Å; K534-F544 HydrophobicContact CB-CZ 4.34Å; K534-F544 HydrophobicContact CD-CE1 4.32Å; K534-F544 HydrophobicContact CD-CZ 4.2Å; K534-F544 HydrophobicContact CG-CD1 4.33Å; K534-F544 HydrophobicContact CG-CE1 3.99Å; K534-F544 HydrophobicContact CG-CZ 4.2Å
545	V	87.1	Confident	80.9	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.4	168.5	-59.4	0	0	0	0	109.8	F507 L515 V517 W532 W533 C535 V549 L550	F507-V545 HydrophobicContact CD1-CB 4.46Å; F507-V545 HydrophobicContact CD1-CG1 4.13Å; F507-V545 HydrophobicContact CE1-CG1 4.36Å; L515-V545 HydrophobicContact CB-CG1 3.95Å; L515-V545 WeakPolarHBondContact O-CG1 3.5Å; V517-V545 HydrophobicContact CG1-CG1 4.24Å; V517-V545 HydrophobicContact CG2-CG1 4.01Å; W532-V545 CarbonylContact C-O 3.51Å; W532-V545 WeakPolarHBondContact CA-O 3.38Å; W533-V545 PolarHBondContact N-O 3.06Å; W533-V545 PolarHBondContact O-N 2.93Å; C535-V545 HydrophobicContact CB-CG2 4.18Å; C535-V545 VanDerWaalsContact SG-CG2 3.53Å; V545-V549 HydrophobicContact CB-CG2 4.09Å; V545-V549 HydrophobicContact CG2-CG2 4.24Å; V545-L550 HydrophobicContact CG2-CD1 3.85Å; V545-L550 HydrophobicContact CG2-CD2 4.09Å; V545-L550 HydrophobicContact CG2-CG 4.16Å
546	P	85.1	Confident	78.1	Confident	24 Å²	24	76 Å²	76	16%	0.156	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.6	174.4	-15.2	29	0	0	0	110	F507 W532 T548 V549	F507-P546 HydrophobicContact CD2-CG 4Å; F507-P546 HydrophobicContact CE2-CG 3.68Å; F507-P546 HydrophobicContact CZ-CG 4.14Å; W532-P546 HydrophobicContact CE3-CG 4.11Å; W532-P546 HydrophobicContact CH2-CG 3.98Å; W532-P546 HydrophobicContact CZ2-CG 4.35Å; W532-P546 HydrophobicContact CZ3-CG 3.83Å; P546-T548 PolarHBondContact O-N 3.26Å; P546-V549 HydrophobicContact CB-CG1 4.17Å; P546-V549 HydrophobicContact CG-CG1 4.14Å; P546-V549 WeakPolarHBondContact O-CG2 3.38Å; P546-V549 PolarHBondContact O-N 2.82Å; P546-V549 VanDerWaalsContact O-N 3.08Å
547	F	81.6	Confident	75.3	Confident	95 Å²	95	80 Å²	80	42%	0.417	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-59.8	-24	-176.7	84.6	-83	0	0	0	113.4	R531 W533 V549 L550	R531-F547 PolarHBondContact O-N 3.34Å; W533-F547 HydrophobicContact CD2-CB 4.08Å; W533-F547 HydrophobicContact CG-CB 4.12Å; W533-F547 HydrophobicContact CZ2-CB 4.31Å; F547-V549 PolarHBondContact O-N 2.85Å; F547-L550 PolarHBondContact O-N 3.25Å
548	T	83.6	Confident	72.3	Confident	72 Å²	72	84.4 Å²	84.4	44%	0.442	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-70	-14.9	-179.5	64.4	0	0	0	0	114	Y505 P546 L550	Y505-T548 WeakPolarHBondContact CE1-O 3.37Å; Y505-T548 PolarHBondContact OH-O 2.9Å; Y505-T548 PolarHBondContact OH-OG1 3.05Å; P546-T548 PolarHBondContact O-N 3.26Å; T548-L550 VanDerWaalsContact C-N 3.25Å
549	V	85.8	Confident	70.2	Confident	1 Å²	1	82.2 Å²	82.2	1%	0.006	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-83.7	-3.5	175.5	-38.1	0	0	0	0	112	C503 S504 Y505 F507 V545 P546 F547	C503-V549 CarbonylContact C-O 3.58Å; C503-V549 WeakPolarHBondContact CA-O 3.39Å; S504-V549 PolarHBondContact N-O 3.35Å; S504-V549 PolarHBondContact OG-O 2.91Å; Y505-V549 HydrophobicContact CD2-CG1 4.46Å; Y505-V549 HydrophobicContact CE1-CB 4.45Å; Y505-V549 HydrophobicContact CE2-CB 4.24Å; Y505-V549 HydrophobicContact CE2-CG1 3.7Å; F507-V549 HydrophobicContact CB-CG1 4.21Å; F507-V549 HydrophobicContact CG-CG1 4.49Å; V545-V549 HydrophobicContact CB-CG2 4.09Å; V545-V549 HydrophobicContact CG2-CG2 4.24Å; P546-V549 HydrophobicContact CB-CG1 4.17Å; P546-V549 HydrophobicContact CG-CG1 4.14Å; P546-V549 WeakPolarHBondContact O-CG2 3.38Å; P546-V549 PolarHBondContact O-N 2.82Å; P546-V549 VanDerWaalsContact O-N 3.08Å; F547-V549 PolarHBondContact O-N 2.85Å
550	L	84.8	Confident	67.5	Low	17 Å²	17	82.7 Å²	82.7	9%	0.089	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129	-169.3	-56.6	-179.8	0	0	0	112	Y501 L523 V525 W533 V545 F547 T548	Y501-L550 HydrophobicContact CD1-CB 4.11Å; L523-L550 HydrophobicContact CD1-CD2 3.68Å; V525-L550 HydrophobicContact CG2-CD1 4.38Å; W533-L550 HydrophobicContact CB-CD1 4.19Å; W533-L550 HydrophobicContact CD2-CD1 4.12Å; W533-L550 HydrophobicContact CE3-CD1 3.47Å; W533-L550 VanDerWaalsContact CE3-CD1 3.47Å; W533-L550 HydrophobicContact CG-CD1 4.44Å; W533-L550 HydrophobicContact CZ3-CD1 4.19Å; V545-L550 HydrophobicContact CG2-CD1 3.85Å; V545-L550 HydrophobicContact CG2-CD2 4.09Å; V545-L550 HydrophobicContact CG2-CG 4.16Å; F547-L550 PolarHBondContact O-N 3.25Å; T548-L550 VanDerWaalsContact C-N 3.25Å
551	E	82.3	Confident	64.9	Low	102 Å²	102	85.2 Å²	85.2	48%	0.477	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.2	169.6	-73.2	170.5	-169.9	0	0	109.4	Y501 M502 S504	Y501-E551 CarbonylContact C-O 3.48Å; Y501-E551 WeakPolarHBondContact CA-O 3.26Å; M502-E551 PolarHBondContact N-O 2.82Å; M502-E551 PolarHBondContact O-N 3.13Å; S504-E551 WeakPolarHBondContact CB-OE1 3.41Å
552	P	78.8	Confident	62.3	Low	77 Å²	77	84.6 Å²	84.6	50%	0.5	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	139.3	177.4	28.1	-34	0	0	0	110.4	Y501 D554	Y501-P552 HydrophobicContact CD1-CB 4.22Å; Y501-P552 HydrophobicContact CE1-CB 3.8Å; P552-D554 PolarHBondContact O-N 3.32Å
553	V	74.9	Confident	59.2	Low	62 Å²	62	92.9 Å²	92.9	38%	0.376	50%	0.502	S	S	.	.			trans	-83.4	97.9	172	-176.2	0	0	0	0	108.4	L500 M502 T522 H555	L500-V553 PolarHBondContact O-N 2.86Å; M502-V553 HydrophobicContact CB-CG2 3.96Å; T522-V553 HydrophobicContact CG2-CG2 4.35Å; V553-H555 PolarHBondContact O-N 3.27Å
554	D	50.3	Low	56.9	Low	133 Å²	133	97.8 Å²	97.8	71%	0.711	53%	0.533	S	S	*	.			trans	-53.4	130.9	175.8	-79.5	-33.7	0	0	0	111.1	P552 I556	P552-D554 PolarHBondContact O-N 3.32Å; D554-I556 PolarHBondContact O-N 3.45Å
555	H	40.2	Very low	54.5	Low	146 Å²	146	99.4 Å²	99.4	68%	0.676	55%	0.551	S	S	*	*			trans	-71.5	98.5	-171.3	-63.4	-84.4	0	0	0	112.2	V553 E557	V553-H555 PolarHBondContact O-N 3.27Å; H555-E557 VanDerWaalsContact C-N 3.35Å; H555-E557 PolarHBondContact O-N 3.04Å
556	I	35.2	Very low	51.7	Low	164 Å²	164	104.4 Å²	104.4	84%	0.841	59%	0.586	S	S	*	*			trans	-81	80.3	173.6	-51	-179.1	0	0	0	110.8	D554	D554-I556 PolarHBondContact O-N 3.45Å
557	E	30.9	Very low	49	Very low	177 Å²	177	111.8 Å²	111.8	83%	0.827	62%	0.616	S	S	*	*			trans	-96.6	135.2	144.7	-59.4	-168.3	162.7	0	0	106.6	H555	H555-E557 VanDerWaalsContact C-N 3.35Å; H555-E557 PolarHBondContact O-N 3.04Å
558	S	25.9	Very low	46.5	Very low	101 Å²	101	115.9 Å²	115.9	71%	0.706	63%	0.63	S	S	*	*			cis	-140.1	173.9	22.5	-81	0	0	0	0	111.4
559	P	38.5	Very low	43.8	Very low	113 Å²	113	117.9 Å²	117.9	73%	0.734	65%	0.646	S	S	*	*			trans	-94.8	-175.8	-156.4	37.5	-38.5	0	0	0	117.2
560	T	25.1	Very low	41.3	Very low	142 Å²	142	126.7 Å²	126.7	87%	0.871	69%	0.685	S	S	*	*			trans	92.6	134.8	177.8	73.3	0	0	0	0	115.2
561	S	25.8	Very low	38.6	Very low	103 Å²	103	134 Å²	134	72%	0.72	72%	0.724	S	S	*	*			cis	-144.2	146.1	7.5	-168.8	0	0	0	0	115.3
562	S	26	Very low	36.1	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	74%	0.74	S	S	*	*			trans	60	75.8	147	58.3	0	0	0	0	122.8
563	R	24.8	Very low	34.4	Very low	241 Å²	241	139 Å²	139	91%	0.909	75%	0.749	S	S	*	*				77	140.9	117.6	-155.4	171.8	-171.3	172.7	3.9	122.2
564	P	37.5	Very low	32.3	Very low	109 Å²	109	145 Å²	145	71%	0.708	77%	0.771	S	S	*	*			trans	-113	-150.6	-178.1	37.6	-15	0	0	0	110.4
565	P	40.1	Very low	31.5	Very low	107 Å²	107	144 Å²	144	70%	0.695	77%	0.771	S	S	*	*			cis	-148.3	-166.7	8.7	46.1	-24.6	0	0	0	118.9
566	S	29.4	Very low	31.1	Very low	104 Å²	104	143 Å²	143	73%	0.727	77%	0.771	S	S	*	*			trans	76.8	148.6	150.7	70.2	0	0	0	0	119
567	F	27.6	Very low	30.6	Very low	180 Å²	180	143.5 Å²	143.5	79%	0.789	77%	0.774	S	S	*	*			cis	-168.1	153	-34.1	-133.4	-135.4	0	0	0	107.3
568	Y	28.6	Very low	30.6	Very low	181 Å²	181	144.5 Å²	144.5	71%	0.71	77%	0.772	S	S	*	*			trans	22.3	137.6	158.3	-68.6	-114.9	0	0	0	120
569	S	28.4	Very low	31.3	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	78%	0.777	S	S	*	*				-176.5	164.6	78.7	-67.5	0	0	0	0	115.2
570	F	31.6	Very low	30.9	Very low	186 Å²	186	148.5 Å²	148.5	82%	0.816	78%	0.778	S	S	*	*			trans	-42.2	150.9	169.5	-78.5	-116.5	0	0	0	117.5
571	L	28.5	Very low	31.3	Very low	172 Å²	172	148 Å²	148	90%	0.901	78%	0.777	S	S	*	*				178.3	165.3	109.7	-93	169.9	0	0	0	113.8
572	Q	30.7	Very low	31.6	Very low	176 Å²	176	149.8 Å²	149.8	82%	0.822	78%	0.779	S	S	*	*			trans	-114.6	174.2	171.8	-92.2	-172	-4.1	0	0	109.5
573	P	42.6	Very low	32.8	Very low	107 Å²	107	149 Å²	149	70%	0.695	77%	0.771	S	S	*	*			cis	-139.1	156.3	-18.3	33.1	-13.6	0	0	0	116.8
574	K	29.8	Very low	33	Very low	189 Å²	189	143.8 Å²	143.8	82%	0.822	76%	0.761	S	S	*	*			trans	61.7	174.1	157.2	-92	-164.2	172.2	-159.8	0	117.8
575	P	34.6	Very low	32.9	Very low	110 Å²	110	146 Å²	146	71%	0.714	76%	0.762	S	S	*	*			cis	-125.6	-174.6	3	43.4	-27.8	0	0	0	117
576	D	31	Very low	32.4	Very low	126 Å²	126	149.8 Å²	149.8	67%	0.674	77%	0.77	S	S	*	*			trans	-22.2	140.6	172.6	-40.7	-43.4	0	0	0	121.8
577	L	25.2	Very low	32.5	Very low	175 Å²	175	151.1 Å²	151.1	92%	0.916	77%	0.767	S	S	*	*				-179.7	148.8	116.7	-96.8	162.5	0	0	0	113.6
578	Y	30.6	Very low	32.9	Very low	198 Å²	198	148.6 Å²	148.6	78%	0.776	77%	0.769	S	S	*	*			trans	-98.9	158.6	171.4	-73.1	-90.6	0	0	0	110.8
579	P	41.7	Very low	33.2	Very low	126 Å²	126	146.2 Å²	146.2	82%	0.818	77%	0.769	S	S	*	*				-143.5	168.4	92.5	34.6	-17	0	0	0	116
580	F	29.6	Very low	33.8	Very low	172 Å²	172	146 Å²	146	75%	0.754	76%	0.764	S	S	*	*			trans	-78	173.7	173.4	-68.8	-97.4	0	0	0	112.6
581	P	33.6	Very low	33.7	Very low	131 Å²	131	143 Å²	143	85%	0.851	76%	0.757	S	S	*	*				-135.8	143.9	93.3	35.7	-23.8	0	0	0	116.4
582	N	32	Very low	33.8	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	76%	0.755	S	S	*	*			trans	-109.4	-165.6	155.2	-144.7	11.4	0	0	0	105.8
583	P	50.3	Low	34.7	Very low	85 Å²	85	140 Å²	140	55%	0.552	75%	0.748	S	S	*	*			cis	-124.9	-164.9	-4.5	30.1	-3.1	0	0	0	111.4
584	N	29.8	Very low	34.1	Very low	131 Å²	131	145.2 Å²	145.2	70%	0.701	76%	0.759	S	S	*	*			cis	-165.8	135	48	-97.4	-41.8	0	0	0	108.8
585	H	34.4	Very low	34.1	Very low	157 Å²	157	144.2 Å²	144.2	73%	0.727	76%	0.762	S	S	*	*				80	115.6	72.1	-86.2	14.8	0	0	0	116.8
586	H	29.6	Very low	34.8	Very low	186 Å²	186	144 Å²	144	86%	0.861	76%	0.761	S	S	*	*				-156.6	151.6	117.2	-135.6	-77.1	0	0	0	112.3
587	I	32.5	Very low	35.7	Very low	131 Å²	131	143.7 Å²	143.7	67%	0.672	77%	0.766	S	S	*	*			trans	-126.9	159.9	169.8	-32.2	178.2	0	0	0	107.4
588	P	36.6	Very low	36.7	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	76%	0.76	S	S	*	*				-148.7	166.8	107.4	36.5	-19.4	0	0	0	116.1
589	N	33.2	Very low	36.9	Very low	131 Å²	131	136 Å²	136	70%	0.701	76%	0.757	S	S	*	*			trans	-143.7	142.8	171.6	167	34.7	0	0	0	107.7
590	P	42.5	Very low	36.9	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	76%	0.755	S	S	*	*				-153.6	130.7	127.4	33.8	-13.8	0	0	0	118.6
591	N	28.8	Very low	37	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	76%	0.756	S	S	*	*				51.6	115.4	127.3	-58.3	-12.9	0	0	0	124.8
592	Q	29.6	Very low	36.9	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	75%	0.751	S	S	*	*				64.7	171.1	126.2	-74.3	-172	-14.4	0	0	122
593	P	49.8	Very low	36.9	Very low	105 Å²	105	137.3 Å²	137.3	68%	0.682	75%	0.752	S	S	*	*			cis	-135.2	172.6	-40.7	37.9	-22.8	0	0	0	114.3
594	K	30.5	Very low	35.8	Very low	216 Å²	216	138.2 Å²	138.2	94%	0.939	76%	0.761	S	S	*	*			trans	-175	176.6	148.6	-106.7	154.1	-170.1	174.4	0	116.4
595	L	30.3	Very low	35.8	Very low	167 Å²	167	136.7 Å²	136.7	87%	0.874	77%	0.767	S	S	*	*			trans	-122.9	171.8	-166.2	-89.9	165.2	0	0	0	112.8
596	P	48.5	Very low	36	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	77%	0.772	S	S	*	*			trans	-91.4	-163.7	-168.8	42	-41.2	0	0	0	113.1
597	P	50.9	Low	36.4	Very low	119 Å²	119	132 Å²	132	77%	0.773	77%	0.769	S	S	*	*			cis	-116.9	-127.7	-3.4	38.8	-16.9	0	0	0	111.9
598	P	46.4	Very low	36.5	Very low	124 Å²	124	132 Å²	132	81%	0.805	78%	0.775	S	S	*	*			cis	-120.5	-154.7	16.9	45.2	-30	0	0	0	114.6
599	A	35.2	Very low	36.6	Very low	86 Å²	86	131.3 Å²	131.3	71%	0.711	77%	0.77	S	S	*	*			trans	-146.1	169.8	174.1	0	0	0	0	0	111.8
600	P	39.9	Very low	37.1	Very low	117 Å²	117	131.1 Å²	131.1	76%	0.76	78%	0.777	S	S	*	*			trans	-134.5	140.6	134.6	38.4	-27.2	0	0	0	111.5
601	L	31.6	Very low	36.9	Very low	150 Å²	150	131.2 Å²	131.2	79%	0.785	78%	0.78	S	S	*	*				55.7	121.8	66.7	-59.1	174.6	0	0	0	111.5
602	M	33.2	Very low	37.6	Very low	150 Å²	150	131 Å²	131	74%	0.739	79%	0.785	S	S	*	*			cis	-151.3	-170.1	13.1	-115.1	-176.3	-165.1	0	0	108.3
603	K	30.1	Very low	38.1	Very low	182 Å²	182	128.5 Å²	128.5	79%	0.791	78%	0.784	S	S	*	*			cis	-151.6	-145.2	16.8	-146.9	150.4	-173.9	170	0	112.1
604	S	29.1	Very low	37.1	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	79%	0.788	S	S	*	*			trans	-114.1	146.5	-171.8	54.1	0	0	0	0	114.4
605	A	29.9	Very low	37.1	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	78%	0.78	S	S	*	*				164.9	143.5	123.9	0	0	0	0	0	112.7
606	S	37	Very low	37	Very low	119 Å²	119	125.8 Å²	125.8	83%	0.832	78%	0.776	S	S	*	*			trans	-97.3	150.9	173.8	-44.5	0	0	0	0	111.9
607	P	38	Very low	36	Very low	126 Å²	126	128.5 Å²	128.5	82%	0.818	78%	0.784	S	S	*	*			trans	-114.3	157.7	153.7	17.4	1.9	0	0	0	113
608	V	35.7	Very low	34.9	Very low	131 Å²	131	128.7 Å²	128.7	79%	0.794	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-101.9	145.4	-176.6	176.4	0	0	0	0	109.9
609	P	39.2	Very low	34.4	Very low	111 Å²	111	128.2 Å²	128.2	72%	0.721	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.1	134	173.4	28.6	-35.2	0	0	0	112
610	P	42.3	Very low	33.9	Very low	128 Å²	128	128.3 Å²	128.3	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.9	145.8	-179	31.1	-34.8	0	0	0	113
611	S	39.3	Very low	33.5	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-91.4	157.3	169.2	-60.4	0	0	0	0	111.6
612	P	42.2	Very low	33.3	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-77.3	147.6	-177.7	31.5	-35.8	0	0	0	113
613	P	41.7	Very low	33.7	Very low	128 Å²	128	127.9 Å²	127.9	83%	0.831	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-91	151.9	174.6	35.7	-33.9	0	0	0	113
614	T	28.5	Very low	33.6	Very low	125 Å²	125	128.1 Å²	128.1	77%	0.767	78%	0.783	S	S	*	*			trans	-134.1	135.6	170.9	-52.1	0	0	0	0	109.4
615	L	29.6	Very low	33.5	Very low	146 Å²	146	131.8 Å²	131.8	76%	0.764	78%	0.782	S	S	*	*			trans	144.4	117.3	139.2	-76.3	172	0	0	0	114.4
616	M	28.3	Very low	33.7	Very low	160 Å²	160	132.9 Å²	132.9	79%	0.788	78%	0.78	S	S	*	*			trans	44	124.1	133.2	-53.6	-63	-179	0	0	121.2
617	L	28.6	Very low	33.3	Very low	164 Å²	164	136.1 Å²	136.1	86%	0.859	77%	0.774	S	S	*	*				-170.7	-179.9	98.1	-98	168.8	0	0	0	113.1
618	T	26.5	Very low	33.1	Very low	123 Å²	123	135 Å²	135	76%	0.755	77%	0.769	S	S	*	*			trans	-105.2	-172.4	-163.3	51.4	0	0	0	0	111.6
619	P	37.3	Very low	32.7	Very low	114 Å²	114	134.5 Å²	134.5	74%	0.74	77%	0.772	S	S	*	*			cis	-150.8	171.3	16.6	45.6	-24.4	0	0	0	122
620	S	24.2	Very low	32.2	Very low	89 Å²	89	133.5 Å²	133.5	62%	0.622	77%	0.773	S	S	*	*			trans	56.6	118.7	143.6	-156.9	0	0	0	0	122.3
621	H	30.8	Very low	31.4	Very low	178 Å²	178	133.3 Å²	133.3	82%	0.824	77%	0.769	S	S	*	*				-168	164.7	92.9	-108.7	-80.6	0	0	0	113.3
622	S	26.9	Very low	30.9	Very low	108 Å²	108	139 Å²	139	76%	0.755	78%	0.775	S	S	*	*			trans	-138.7	163.9	179.1	-46.9	0	0	0	0	111
623	P	43.3	Very low	30.4	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	77%	0.769	S	S	*	*				-139.1	-169.6	96.5	43.4	-31	0	0	0	111.5
624	Q	26.7	Very low	30.4	Very low	186 Å²	186	136.9 Å²	136.9	87%	0.869	76%	0.764	S	S	*	*			cis	-143.3	-145.4	0.9	-149.9	174.9	26.3	0	0	110.7
625	R	26.7	Very low	30.4	Very low	181 Å²	181	139.8 Å²	139.8	68%	0.683	77%	0.769	S	S	*	*			trans	-167	164	-179.1	-140.5	-170.8	177.1	154.5	-1.3	111.4
626	P	34.8	Very low	30.4	Very low	122 Å²	122	135.7 Å²	135.7	79%	0.792	76%	0.762	S	S	*	*				-135.2	150.5	90.8	38.5	-27.1	0	0	0	112.4
627	R	28.8	Very low	30.8	Very low	188 Å²	188	132.4 Å²	132.4	71%	0.709	75%	0.752	S	S	*	*			cis	68.8	134.2	47	-102.7	178.8	-172.5	179.9	2.5	113
628	S	33	Very low	31	Very low	101 Å²	101	130.1 Å²	130.1	71%	0.706	75%	0.745	S	S	*	*			cis	-118.8	-164.9	11.6	-66.5	0	0	0	0	110.8
629	S	28.7	Very low	31.6	Very low	122 Å²	122	128.1 Å²	128.1	85%	0.853	74%	0.741	S	S	*	*			cis	-141.7	-117.1	12.1	-58.9	0	0	0	0	113.5
630	A	28.1	Very low	31.4	Very low	90 Å²	90	127.7 Å²	127.7	74%	0.744	73%	0.729	S	S	*	*			trans	-155.7	167.9	-167.5	0	0	0	0	0	109.1
631	T	25.7	Very low	31.9	Very low	123 Å²	123	129.8 Å²	129.8	76%	0.755	73%	0.729	S	S	*	*			cis	-161.3	147.7	46.3	-60.6	0	0	0	0	114.1
632	Y	29.3	Very low	32.2	Very low	229 Å²	229	125.4 Å²	125.4	90%	0.898	72%	0.715	S	S	*	*			trans	71.8	156.8	167.3	-108	-104.7	0	0	0	120.6
633	S	30.8	Very low	32.7	Very low	91 Å²	91	125.7 Å²	125.7	64%	0.636	71%	0.708	S	S	*	*			trans	-153.3	161.6	-176.6	-149.5	0	0	0	0	107.9
634	P	41.4	Very low	32.5	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	69%	0.694	S	S	*	*				-147.4	149.4	74.1	33.8	-13	0	0	0	117.9
635	H	28.4	Very low	33.1	Very low	186 Å²	186	119 Å²	119	86%	0.861	67%	0.674	S	S	*	*			trans	34.1	122	146.9	-58.3	-72.6	0	0	0	122.6
636	G	29.1	Very low	34.1	Very low	60 Å²	60	116.7 Å²	116.7	62%	0.619	67%	0.67	S	S	*	*			trans	-162.6	151.1	160.4	0	0	0	0	0	112.5
637	P	36.7	Very low	34.3	Very low	91 Å²	91	115.2 Å²	115.2	59%	0.591	66%	0.655	S	S	*	*			trans	-92.2	105.4	-173.5	34.4	-33.1	0	0	0	113.8	A639 E640	P637-A639 PolarHBondContact O-N 3.06Å; P637-E640 PolarHBondContact O-N 2.99Å
638	V	34.7	Very low	34.8	Very low	115 Å²	115	113.3 Å²	113.3	70%	0.697	65%	0.652	S	S	*	*	H	α-helix	trans	-64.3	-11.9	-172.4	-175.9	0	0	0	0	114.8
639	A	37.5	Very low	35.4	Very low	82 Å²	82	112.8 Å²	112.8	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-85.8	-27.3	-179.5	0	0	0	0	0	114.8	P637 T642	P637-A639 PolarHBondContact O-N 3.06Å; A639-T642 PolarHBondContact O-OG1 3.25Å
640	E	34.1	Very low	36.1	Very low	105 Å²	105	109.5 Å²	109.5	49%	0.491	61%	0.611	S	S	.	*	H	α-helix	trans	-83.2	-23.7	172.8	-80.6	-161.5	113.2	0	0	112.2	P637 D643 K644	P637-E640 PolarHBondContact O-N 2.99Å; E640-D643 PolarHBondContact O-N 3.47Å; E640-K644 HydrophobicContact CB-CD 4.21Å; E640-K644 WeakPolarHBondContact O-CB 3.16Å; E640-K644 VanDerWaalsContact O-CG 3.26Å; E640-K644 WeakPolarHBondContact O-CG 3.24Å; E640-K644 PolarHBondContact O-N 2.98Å; E640-K644 VanDerWaalsContact OE1-CE 3.24Å; E640-K644 WeakPolarHBondContact OE1-CE 3.48Å; E640-K644 IonicContact OE1-NZ 3.14Å; E640-K644 PolarHBondContact OE1-NZ 2.86Å; E640-K644 IonicContact OE2-NZ 2.69Å; E640-K644 PolarHBondContact OE2-NZ 3.44Å
641	E	33.9	Very low	36.9	Very low	133 Å²	133	111.2 Å²	111.2	62%	0.621	60%	0.602	S	S	*	*	H	α-helix	trans	-74.9	-30.1	-168.7	-165.7	159.4	-141.6	0	0	112.2	A645	E641-A645 WeakPolarHBondContact O-CB 3.47Å; E641-A645 PolarHBondContact O-N 3.34Å
642	T	38	Very low	37.6	Very low	86 Å²	86	110.8 Å²	110.8	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-64	-47	170.7	47	0	0	0	0	112.1	A639 A645 H646	A639-T642 PolarHBondContact O-OG1 3.25Å; T642-A645 PolarHBondContact O-N 2.7Å; T642-H646 WeakPolarHBondContact O-CB 3.29Å; T642-H646 PolarHBondContact O-N 3.13Å
643	D	37.8	Very low	38.3	Very low	114 Å²	114	106.4 Å²	106.4	61%	0.61	58%	0.577	S	S	*	*	H	α-helix	trans	-71.5	-39.4	-177.4	-66.8	3.8	0	0	0	110.6	E640 A645 H646 L647	E640-D643 PolarHBondContact O-N 3.47Å; D643-A645 VanDerWaalsContact C-N 3.35Å; D643-H646 PolarHBondContact O-N 3.33Å; D643-L647 WeakPolarHBondContact O-CB 3.3Å; D643-L647 PolarHBondContact O-N 3.43Å
644	K	37	Very low	39.1	Very low	113 Å²	113	102.8 Å²	102.8	49%	0.491	55%	0.55	S	S	.	.	H	α-helix	trans	-66.1	-35.7	172.7	-70.7	171	-173.4	177	0	111.7	E640 K648	E640-K644 HydrophobicContact CB-CD 4.21Å; E640-K644 WeakPolarHBondContact O-CB 3.16Å; E640-K644 VanDerWaalsContact O-CG 3.26Å; E640-K644 WeakPolarHBondContact O-CG 3.24Å; E640-K644 PolarHBondContact O-N 2.98Å; E640-K644 VanDerWaalsContact OE1-CE 3.24Å; E640-K644 WeakPolarHBondContact OE1-CE 3.48Å; E640-K644 IonicContact OE1-NZ 3.14Å; E640-K644 PolarHBondContact OE1-NZ 2.86Å; E640-K644 IonicContact OE2-NZ 2.69Å; E640-K644 PolarHBondContact OE2-NZ 3.44Å; K644-K648 WeakPolarHBondContact O-CB 3.34Å; K644-K648 PolarHBondContact O-N 2.98Å
645	A	41.3	Very low	39.2	Very low	55 Å²	55	104.3 Å²	104.3	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-69.9	-41.1	173	0	0	0	0	0	112.1	E641 T642 D643 K648 L649	E641-A645 WeakPolarHBondContact O-CB 3.47Å; E641-A645 PolarHBondContact O-N 3.34Å; T642-A645 PolarHBondContact O-N 2.7Å; D643-A645 VanDerWaalsContact C-N 3.35Å; A645-K648 PolarHBondContact O-N 3.43Å; A645-L649 VanDerWaalsContact O-CB 3.25Å; A645-L649 WeakPolarHBondContact O-CB 3.5Å; A645-L649 PolarHBondContact O-N 2.9Å
646	H	46	Very low	40	Very low	132 Å²	132	100.1 Å²	100.1	61%	0.611	54%	0.535	S	S	*	.	H	α-helix	trans	-67.4	-45.3	178.3	-155.3	-101.3	0	0	0	111.1	T642 D643 K648 L649 F650	T642-H646 WeakPolarHBondContact O-CB 3.29Å; T642-H646 PolarHBondContact O-N 3.13Å; D643-H646 PolarHBondContact O-N 3.33Å; H646-K648 VanDerWaalsContact C-N 3.34Å; H646-K648 PolarHBondContact O-N 3.39Å; H646-L649 PolarHBondContact O-N 3.25Å; H646-F650 VanDerWaalsContact O-CB 3.32Å; H646-F650 WeakPolarHBondContact O-CB 3.36Å; H646-F650 PolarHBondContact O-N 3.46Å
647	L	39.6	Very low	40.9	Very low	90 Å²	90	99.7 Å²	99.7	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-33.4	174.1	-177.7	62	0	0	0	112.7	D643 K651	D643-L647 WeakPolarHBondContact O-CB 3.3Å; D643-L647 PolarHBondContact O-N 3.43Å; L647-K651 WeakPolarHBondContact O-CB 3.16Å; L647-K651 WeakPolarHBondContact O-CG 3.23Å; L647-K651 PolarHBondContact O-N 3.2Å
648	K	40.2	Very low	41.5	Very low	149 Å²	149	97.9 Å²	97.9	65%	0.648	50%	0.502	S	S	*	.	H	α-helix	trans	-72.4	-39.7	174.3	-175.5	178.3	-179.2	-175.6	0	111.7	K644 A645 H646 K651 Q652	K644-K648 WeakPolarHBondContact O-CB 3.34Å; K644-K648 PolarHBondContact O-N 2.98Å; A645-K648 PolarHBondContact O-N 3.43Å; H646-K648 VanDerWaalsContact C-N 3.34Å; H646-K648 PolarHBondContact O-N 3.39Å; K648-K651 PolarHBondContact O-N 3.35Å; K648-Q652 VanDerWaalsContact O-CB 3.23Å; K648-Q652 WeakPolarHBondContact O-CB 3.41Å; K648-Q652 PolarHBondContact O-N 2.86Å
649	L	44.8	Very low	42.1	Very low	89 Å²	89	97.5 Å²	97.5	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-68.5	-36.4	173.5	-175.7	64.2	0	0	0	111.3	A645 H646 K653	A645-L649 VanDerWaalsContact O-CB 3.25Å; A645-L649 WeakPolarHBondContact O-CB 3.5Å; A645-L649 PolarHBondContact O-N 2.9Å; H646-L649 PolarHBondContact O-N 3.25Å; L649-K653 VanDerWaalsContact O-CB 3.29Å; L649-K653 WeakPolarHBondContact O-CB 3.46Å; L649-K653 VanDerWaalsContact O-CG 3.3Å; L649-K653 WeakPolarHBondContact O-CG 3.48Å; L649-K653 PolarHBondContact O-N 3.25Å
650	F	44.5	Very low	42.5	Very low	53 Å²	53	96.9 Å²	96.9	23%	0.232	49%	0.485	C	S	.	.	H	α-helix	trans	-63.3	-52.5	171.4	-175.9	-92.2	0	0	0	110.4	E288 H646 Q652 K653 F654	E288-F650 HydrophobicContact CG-CD2 4.5Å; E288-F650 HydrophobicContact CG-CE1 3.89Å; E288-F650 HydrophobicContact CG-CE2 3.87Å; E288-F650 HydrophobicContact CG-CZ 3.53Å; H646-F650 VanDerWaalsContact O-CB 3.32Å; H646-F650 WeakPolarHBondContact O-CB 3.36Å; H646-F650 PolarHBondContact O-N 3.46Å; F650-Q652 VanDerWaalsContact C-N 3.33Å; F650-Q652 PolarHBondContact O-N 3.43Å; F650-K653 CarbonylContact O-C 3.52Å; F650-K653 WeakPolarHBondContact O-CB 3.27Å; F650-K653 PolarHBondContact O-N 2.83Å; F650-F654 AromaticContact CE1-CD2 3.89Å; F650-F654 HydrophobicContact CE1-CD2 3.89Å; F650-F654 AromaticContact CZ-CD2 3.95Å; F650-F654 HydrophobicContact CZ-CD2 3.95Å; F650-F654 HydrophobicContact CZ-CE2 4.43Å; F650-F654 WeakPolarHBondContact O-CB 3.3Å; F650-F654 PolarHBondContact O-N 3.5Å
651	K	43.4	Very low	43.1	Very low	127 Å²	127	97.1 Å²	97.1	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-56.8	-42.9	174.5	-79	-176.8	176.7	-171.8	0	113	L647 K648 F654 E655	L647-K651 WeakPolarHBondContact O-CB 3.16Å; L647-K651 WeakPolarHBondContact O-CG 3.23Å; L647-K651 PolarHBondContact O-N 3.2Å; K648-K651 PolarHBondContact O-N 3.35Å; K651-F654 PolarHBondContact O-N 2.98Å; K651-E655 PolarHBondContact O-N 3.23Å
652	Q	41.4	Very low	43.8	Very low	114 Å²	114	95.2 Å²	95.2	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-70.1	-36.8	179.4	-171.3	171.6	0.9	0	0	112	K648 F650 F654 V656	K648-Q652 VanDerWaalsContact O-CB 3.23Å; K648-Q652 WeakPolarHBondContact O-CB 3.41Å; K648-Q652 PolarHBondContact O-N 2.86Å; F650-Q652 VanDerWaalsContact C-N 3.33Å; F650-Q652 PolarHBondContact O-N 3.43Å; Q652-F654 VanDerWaalsContact C-N 3.34Å; Q652-V656 WeakPolarHBondContact O-CB 3.37Å; Q652-V656 VanDerWaalsContact O-CG2 3.28Å; Q652-V656 WeakPolarHBondContact O-CG2 3.15Å; Q652-V656 PolarHBondContact O-N 3.03Å; Q652-V656 VanDerWaalsContact O-N 3.14Å
653	K	42.7	Very low	44.3	Very low	136 Å²	136	92 Å²	92	59%	0.591	46%	0.461	S	S	*	.	H	α-helix	trans	-62	-41.9	167.1	-80.2	178.8	174.1	-176.2	0	111.1	L649 F650 V656 M657	L649-K653 VanDerWaalsContact O-CB 3.29Å; L649-K653 WeakPolarHBondContact O-CB 3.46Å; L649-K653 VanDerWaalsContact O-CG 3.3Å; L649-K653 WeakPolarHBondContact O-CG 3.48Å; L649-K653 PolarHBondContact O-N 3.25Å; F650-K653 CarbonylContact O-C 3.52Å; F650-K653 WeakPolarHBondContact O-CB 3.27Å; F650-K653 PolarHBondContact O-N 2.83Å; K653-V656 PolarHBondContact O-N 3.36Å; K653-M657 WeakPolarHBondContact O-CB 3.49Å; K653-M657 PolarHBondContact O-N 3.03Å
654	F	49.2	Very low	44.9	Very low	16 Å²	16	89.6 Å²	89.6	7%	0.07	45%	0.447	C	S	.	.	H	α-helix	trans	-69.8	-40.7	-177.3	-152.4	-79.5	0	0	0	112.5	P285 F291 F650 K651 Q652 M657 L658	P285-F654 HydrophobicContact CB-CD1 3.92Å; P285-F654 HydrophobicContact CB-CE1 3.49Å; P285-F654 VanDerWaalsContact CB-CE1 3.49Å; P285-F654 HydrophobicContact CB-CZ 4.02Å; P285-F654 HydrophobicContact CG-CD1 4.41Å; P285-F654 HydrophobicContact CG-CE1 4.44Å; F291-F654 HydrophobicContact CE2-CE2 4.08Å; F291-F654 HydrophobicContact CE2-CZ 4.2Å; F291-F654 AromaticContact CZ-CE2 3.99Å; F291-F654 HydrophobicContact CZ-CE2 3.99Å; F291-F654 AromaticContact CZ-CZ 3.92Å; F291-F654 HydrophobicContact CZ-CZ 3.92Å; F650-F654 AromaticContact CE1-CD2 3.89Å; F650-F654 HydrophobicContact CE1-CD2 3.89Å; F650-F654 AromaticContact CZ-CD2 3.95Å; F650-F654 HydrophobicContact CZ-CD2 3.95Å; F650-F654 HydrophobicContact CZ-CE2 4.43Å; F650-F654 WeakPolarHBondContact O-CB 3.3Å; F650-F654 PolarHBondContact O-N 3.5Å; K651-F654 PolarHBondContact O-N 2.98Å; Q652-F654 VanDerWaalsContact C-N 3.34Å; F654-M657 HydrophobicContact CD2-CE 3.5Å; F654-M657 HydrophobicContact CE2-CE 3.76Å; F654-M657 HydrophobicContact CG-CE 4.07Å; F654-M657 PolarHBondContact O-N 2.73Å; F654-L658 HydrophobicContact CD1-CD1 3.88Å; F654-L658 HydrophobicContact CE1-CD1 3.88Å; F654-L658 PolarHBondContact O-N 2.79Å
655	E	43	Very low	45.4	Very low	144 Å²	144	89.8 Å²	89.8	67%	0.673	45%	0.45	S	S	*	.	H	α-helix	trans	-62.1	-42.1	171.2	-77.1	-173.7	156.9	0	0	111.6	K651 L658 V659	K651-E655 PolarHBondContact O-N 3.23Å; E655-L658 PolarHBondContact O-N 3.07Å; E655-V659 WeakPolarHBondContact O-CG2 3.44Å
656	V	45	Very low	45.8	Very low	99 Å²	99	92.5 Å²	92.5	60%	0.6	45%	0.448	S	S	*	.	H	α-helix	trans	-71.6	-33.8	176.4	172	0	0	0	0	112.2	Q652 K653 L658 V659	Q652-V656 WeakPolarHBondContact O-CB 3.37Å; Q652-V656 VanDerWaalsContact O-CG2 3.28Å; Q652-V656 WeakPolarHBondContact O-CG2 3.15Å; Q652-V656 PolarHBondContact O-N 3.03Å; Q652-V656 VanDerWaalsContact O-N 3.14Å; K653-V656 PolarHBondContact O-N 3.36Å; V656-L658 VanDerWaalsContact C-N 3.28Å; V656-L658 PolarHBondContact O-N 2.97Å; V656-V659 WeakPolarHBondContact O-CA 3.48Å; V656-V659 WeakPolarHBondContact O-CB 3.41Å; V656-V659 PolarHBondContact O-N 3.25Å
657	M	48	Very low	45.8	Very low	51 Å²	51	88.3 Å²	88.3	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-70.1	-24.9	176.6	-174.4	166.4	66.8	0	0	112.4	T334 G336 K653 F654 V659 N660	T334-M657 WeakPolarHBondContact O-CE 3.4Å; G336-M657 VanDerWaalsContact CA-SD 3.5Å; G336-M657 PolarHBondContact N-SD 3.31Å; G336-M657 VanDerWaalsContact N-SD 3.37Å; K653-M657 WeakPolarHBondContact O-CB 3.49Å; K653-M657 PolarHBondContact O-N 3.03Å; F654-M657 HydrophobicContact CD2-CE 3.5Å; F654-M657 HydrophobicContact CE2-CE 3.76Å; F654-M657 HydrophobicContact CG-CE 4.07Å; F654-M657 PolarHBondContact O-N 2.73Å; M657-V659 PolarHBondContact O-N 3.16Å; M657-N660 PolarHBondContact O-N 3.23Å
658	L	49.4	Very low	45.8	Very low	52 Å²	52	88.4 Å²	88.4	27%	0.272	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.7	166.5	-88.8	160.2	0	0	0	113.8	A250 F654 E655 V656	A250-L658 HydrophobicContact CB-CD2 4.43Å; F654-L658 HydrophobicContact CD1-CD1 3.88Å; F654-L658 HydrophobicContact CE1-CD1 3.88Å; F654-L658 PolarHBondContact O-N 2.79Å; E655-L658 PolarHBondContact O-N 3.07Å; V656-L658 VanDerWaalsContact C-N 3.28Å; V656-L658 PolarHBondContact O-N 2.97Å
659	V	47.3	Very low	45.7	Very low	108 Å²	108	85.6 Å²	85.6	66%	0.655	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	29.7	168.6	-156.3	0	0	0	0	111.2	E655 V656 M657 D661	E655-V659 WeakPolarHBondContact O-CG2 3.44Å; V656-V659 WeakPolarHBondContact O-CA 3.48Å; V656-V659 WeakPolarHBondContact O-CB 3.41Å; V656-V659 PolarHBondContact O-N 3.25Å; M657-V659 PolarHBondContact O-N 3.16Å; V659-D661 PolarHBondContact O-N 3.48Å
660	N	46.8	Very low	45.3	Very low	69 Å²	69	84.2 Å²	84.2	37%	0.369	43%	0.434	S	S	.	.			trans	-87.8	98.2	164.4	-172.1	8.1	0	0	0	110	M657 E662 L663 L664	M657-N660 PolarHBondContact O-N 3.23Å; N660-E662 PolarHBondContact O-N 3.09Å; N660-E662 VanDerWaalsContact O-N 3.15Å; N660-E662 WeakPolarHBondContact OD1-CB 3.43Å; N660-E662 PolarHBondContact OD1-N 3.36Å; N660-L663 HydrophobicContact CB-CB 4.06Å; N660-L663 WeakPolarHBondContact O-CA 3.31Å; N660-L663 WeakPolarHBondContact O-CB 3.3Å; N660-L663 PolarHBondContact O-N 2.87Å; N660-L664 PolarHBondContact O-N 2.89Å; N660-L664 VanDerWaalsContact O-N 3.12Å
661	D	46.2	Very low	45	Very low	109 Å²	109	91.6 Å²	91.6	58%	0.583	47%	0.466	S	S	*	.	H	α-helix	trans	-56.9	-26.2	174.6	-77.9	-35.6	0	0	0	112.5	V659 L663 L664 Q665	V659-D661 PolarHBondContact O-N 3.48Å; D661-L663 VanDerWaalsContact C-N 3.34Å; D661-L664 PolarHBondContact O-N 3.46Å; D661-Q665 WeakPolarHBondContact O-CB 3.45Å; D661-Q665 WeakPolarHBondContact O-CG 3.45Å; D661-Q665 PolarHBondContact O-N 2.88Å
662	E	48.5	Very low	44.5	Very low	93 Å²	93	89.6 Å²	89.6	44%	0.435	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-33.4	173.6	-161.6	-155.2	-175.1	0	0	111.9	N660 R666	N660-E662 PolarHBondContact O-N 3.09Å; N660-E662 VanDerWaalsContact O-N 3.15Å; N660-E662 WeakPolarHBondContact OD1-CB 3.43Å; N660-E662 PolarHBondContact OD1-N 3.36Å; E662-R666 WeakPolarHBondContact O-CG 3.37Å; E662-R666 PolarHBondContact O-N 3.06Å; E662-R666 IonicContact OE1-CZ 2.98Å; E662-R666 IonicContact OE1-NH1 3.35Å; E662-R666 PolarHBondContact OE1-NH1 3.47Å; E662-R666 IonicContact OE1-NH2 2.87Å; E662-R666 PolarHBondContact OE1-NH2 3.44Å; E662-R666 IonicContact OE2-NH1 3.28Å; E662-R666 PolarHBondContact OE2-NH1 2.85Å; E662-R666 VanDerWaalsContact OE2-NH1 3.1Å
663	L	48.2	Very low	43.9	Very low	20 Å²	20	89.1 Å²	89.1	11%	0.105	48%	0.483	C	S	.	.	H	α-helix	trans	-73.4	-42.4	174	-160.8	81.7	0	0	0	110.2	K333 N660 D661 Q665 R666 L667	K333-L663 HydrophobicContact CB-CD1 4.16Å; N660-L663 HydrophobicContact CB-CB 4.06Å; N660-L663 WeakPolarHBondContact O-CA 3.31Å; N660-L663 WeakPolarHBondContact O-CB 3.3Å; N660-L663 PolarHBondContact O-N 2.87Å; D661-L663 VanDerWaalsContact C-N 3.34Å; L663-Q665 VanDerWaalsContact C-N 3.31Å; L663-Q665 PolarHBondContact O-N 2.99Å; L663-R666 PolarHBondContact O-N 3.49Å; L663-R666 VanDerWaalsContact O-N 3.1Å; L663-L667 HydrophobicContact CG-CD1 4.44Å; L663-L667 WeakPolarHBondContact O-CG 3.23Å; L663-L667 PolarHBondContact O-N 2.7Å
664	L	49.9	Very low	43.2	Very low	62 Å²	62	88.5 Å²	88.5	33%	0.325	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-40.9	173.7	-178.3	55.7	0	0	0	111.6	N254 N660 D661 T668	N254-L664 WeakPolarHBondContact ND2-CD1 3.36Å; N660-L664 PolarHBondContact O-N 2.89Å; N660-L664 VanDerWaalsContact O-N 3.12Å; D661-L664 PolarHBondContact O-N 3.46Å; L664-T668 VanDerWaalsContact O-CB 3.22Å; L664-T668 WeakPolarHBondContact O-CB 3.43Å; L664-T668 PolarHBondContact O-N 3.17Å; L664-T668 PolarHBondContact O-OG1 3.21Å
665	Q	48.8	Very low	42.2	Very low	117 Å²	117	94 Å²	94	55%	0.547	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-39.3	171.1	-76.9	-174.5	13	0	0	112.3	D661 L663 T668 N669	D661-Q665 WeakPolarHBondContact O-CB 3.45Å; D661-Q665 WeakPolarHBondContact O-CG 3.45Å; D661-Q665 PolarHBondContact O-N 2.88Å; L663-Q665 VanDerWaalsContact C-N 3.31Å; L663-Q665 PolarHBondContact O-N 2.99Å; Q665-T668 PolarHBondContact O-N 3.05Å; Q665-N669 WeakPolarHBondContact O-CA 3.31Å; Q665-N669 WeakPolarHBondContact O-CB 3.43Å; Q665-N669 PolarHBondContact O-N 3.28Å; Q665-N669 PolarHBondContact O-OD1 3.11Å
666	R	49.4	Very low	41.6	Very low	112 Å²	112	94.3 Å²	94.3	42%	0.423	51%	0.514	S	S	.	.	H	α-helix	trans	-67.6	-37.4	175.7	-78.3	-170.4	-177.9	102.1	10.4	113.5	E662 L663 G670	E662-R666 WeakPolarHBondContact O-CG 3.37Å; E662-R666 PolarHBondContact O-N 3.06Å; E662-R666 IonicContact OE1-CZ 2.98Å; E662-R666 IonicContact OE1-NH1 3.35Å; E662-R666 PolarHBondContact OE1-NH1 3.47Å; E662-R666 IonicContact OE1-NH2 2.87Å; E662-R666 PolarHBondContact OE1-NH2 3.44Å; E662-R666 IonicContact OE2-NH1 3.28Å; E662-R666 PolarHBondContact OE2-NH1 2.85Å; E662-R666 VanDerWaalsContact OE2-NH1 3.1Å; L663-R666 PolarHBondContact O-N 3.49Å; L663-R666 VanDerWaalsContact O-N 3.1Å; R666-G670 WeakPolarHBondContact O-CA 3.42Å; R666-G670 PolarHBondContact O-N 2.93Å
667	L	45.8	Very low	40.8	Very low	44 Å²	44	95.7 Å²	95.7	23%	0.23	53%	0.525	C	S	.	.	H	α-helix	trans	-73.4	-34.1	177.2	-61.4	174.5	0	0	0	111.8	A250 M330 L663	A250-L667 HydrophobicContact CB-CD1 4.13Å; M330-L667 HydrophobicContact SD-CD2 3.85Å; L663-L667 HydrophobicContact CG-CD1 4.44Å; L663-L667 WeakPolarHBondContact O-CG 3.23Å; L663-L667 PolarHBondContact O-N 2.7Å
668	T	40	Very low	39.6	Very low	93 Å²	93	100.2 Å²	100.2	57%	0.571	55%	0.55	S	S	*	.	H	α-helix	trans	-83.2	-41	179.4	-51.1	0	0	0	0	112.4	L664 Q665 G670	L664-T668 VanDerWaalsContact O-CB 3.22Å; L664-T668 WeakPolarHBondContact O-CB 3.43Å; L664-T668 PolarHBondContact O-N 3.17Å; L664-T668 PolarHBondContact O-OG1 3.21Å; Q665-T668 PolarHBondContact O-N 3.05Å; T668-G670 VanDerWaalsContact C-N 3.28Å; T668-G670 PolarHBondContact O-N 3.42Å
669	N	37.8	Very low	38.9	Very low	90 Å²	90	104.4 Å²	104.4	48%	0.481	58%	0.577	S	S	.	*	S	Bend	trans	-86	3.8	177.5	-53.1	-2.4	0	0	0	112.3	Q665 K671 A672	Q665-N669 WeakPolarHBondContact O-CA 3.31Å; Q665-N669 WeakPolarHBondContact O-CB 3.43Å; Q665-N669 PolarHBondContact O-N 3.28Å; Q665-N669 PolarHBondContact O-OD1 3.11Å; N669-K671 PolarHBondContact O-N 3.42Å; N669-A672 PolarHBondContact O-N 3.36Å
670	G	37	Very low	37.8	Very low	60 Å²	60	106.5 Å²	106.5	62%	0.619	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-1.8	174.4	0	0	0	0	0	114.8	R666 T668	R666-G670 WeakPolarHBondContact O-CA 3.42Å; R666-G670 PolarHBondContact O-N 2.93Å; T668-G670 VanDerWaalsContact C-N 3.28Å; T668-G670 PolarHBondContact O-N 3.42Å
671	K	37.5	Very low	36.7	Very low	207 Å²	207	111.6 Å²	111.6	90%	0.9	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-2.5	169	-70.7	-178.3	174.1	178.1	0	114.7	N669	N669-K671 PolarHBondContact O-N 3.42Å
672	A	32.9	Very low	35.7	Very low	85 Å²	85	118.3 Å²	118.3	70%	0.702	62%	0.622	S	S	*	*	S	Bend	trans	-152.3	57.3	-169.9	0	0	0	0	0	117.1	N669	N669-A672 PolarHBondContact O-N 3.36Å
673	S	28.3	Very low	34.6	Very low	105 Å²	105	116.9 Å²	116.9	73%	0.734	62%	0.622	S	S	*	*			trans	-158.3	54.8	166.1	54.6	0	0	0	0	116.6
674	L	28.3	Very low	33.8	Very low	122 Å²	122	120 Å²	120	64%	0.639	65%	0.651	S	S	*	*			trans	-129.8	138.3	156.1	-83.1	165.8	0	0	0	108.8
675	N	28.3	Very low	33	Very low	131 Å²	131	126.7 Å²	126.7	70%	0.701	68%	0.68	S	S	*	*			trans	78.5	139.1	-154.9	-57.7	-92.8	0	0	0	112.7
676	K	30.2	Very low	32.6	Very low	151 Å²	151	123.2 Å²	123.2	66%	0.657	67%	0.667	S	S	*	*			cis	-159.2	169.2	-1.3	-120	163.7	-173.3	162.5	0	109.3
677	P	28.3	Very low	32.4	Very low	129 Å²	129	123.8 Å²	123.8	84%	0.838	69%	0.688	S	S	*	*				-135.4	112.9	109.6	35.3	-25.3	0	0	0	113.6
678	L	23.2	Very low	32.8	Very low	145 Å²	145	123.7 Å²	123.7	76%	0.759	69%	0.689	S	S	*	*			trans	-136.5	129.3	150.8	-90.6	174.5	0	0	0	106.6	I680	L678-I680 PolarHBondContact O-N 3.08Å
679	V	33.6	Very low	34.1	Very low	140 Å²	140	123.8 Å²	123.8	85%	0.848	69%	0.692	S	S	*	*			trans	-78	121.9	-170.7	178	0	0	0	0	110.3
680	I	25.5	Very low	36.3	Very low	152 Å²	152	119.6 Å²	119.6	78%	0.779	67%	0.669	S	S	*	*			trans	-130.9	139.7	163	-58.3	179.5	0	0	0	105.9	L678	L678-I680 PolarHBondContact O-N 3.08Å
681	H	22.5	Very low	38.4	Very low	176 Å²	176	119.7 Å²	119.7	82%	0.815	66%	0.655	S	S	*	*			trans	-60.6	142.5	-168.8	-78.9	-106.6	0	0	0	113.2	S683	H681-S683 PolarHBondContact O-N 2.93Å
682	R	24.9	Very low	40.7	Very low	251 Å²	251	113.4 Å²	113.4	95%	0.947	63%	0.626	S	S	*	*			trans	-66.6	114.3	166.7	-76.8	178.9	169.4	169.5	-4.9	109.5
683	S	27.3	Very low	42.9	Very low	62 Å²	62	117.3 Å²	117.3	43%	0.434	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-73	151.5	157	-53	0	0	0	0	109.6	H681	H681-S683 PolarHBondContact O-N 2.93Å
684	A	30.9	Very low	45.7	Very low	87 Å²	87	112.4 Å²	112.4	72%	0.719	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-72.9	165.4	-173.7	0	0	0	0	0	113.2	T686	A684-T686 PolarHBondContact O-N 3.45Å
685	E	32	Very low	48.4	Very low	201 Å²	201	109.2 Å²	109.2	94%	0.939	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-66.3	124.4	173.6	-68.5	176.8	124.7	0	0	110.6
686	T	41	Very low	51.1	Low	45 Å²	45	104.9 Å²	104.9	28%	0.276	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-87.9	118	-179	53.3	0	0	0	0	110.7	A684 V688 G705 K706	A684-T686 PolarHBondContact O-N 3.45Å; T686-V688 PolarHBondContact O-N 3.5Å; T686-V688 VanDerWaalsContact O-N 3.16Å; T686-G705 VanDerWaalsContact CG2-CA 3.5Å; T686-G705 WeakPolarHBondContact CG2-O 3.33Å; T686-K706 HydrophobicContact CG2-CD 4.5Å; T686-K706 HydrophobicContact CG2-CG 4.33Å
687	S	45	Very low	53.7	Low	123 Å²	123	105.2 Å²	105.2	86%	0.86	57%	0.565	S	S	*	*	S	Bend	trans	-73.6	1.1	-175.8	53.7	0	0	0	0	115.6
688	V	55	Low	56.3	Low	42 Å²	42	102.6 Å²	102.6	26%	0.255	54%	0.542	S	S	.	.			trans	-120.7	115.4	-178.8	-174.7	0	0	0	0	109.3	T686	T686-V688 PolarHBondContact O-N 3.5Å; T686-V688 VanDerWaalsContact O-N 3.16Å
689	P	67.4	Low	59.4	Low	96 Å²	96	95.7 Å²	95.7	62%	0.623	51%	0.505	S	S	*	.			trans	-82.5	121.9	171.4	31.7	-30.5	0	0	0	110.5
690	L	82.9	Confident	61.8	Low	1 Å²	1	90 Å²	90	1%	0.005	47%	0.473	C	S	.	.			trans	-70.4	133.8	174.5	177	72.4	0	0	0	111.4	V699 W702 L724 F725 L747 Q750	L690-V699 HydrophobicContact CD1-CG2 3.59Å; L690-W702 HydrophobicContact CB-CB 4.29Å; L690-W702 HydrophobicContact CB-CD2 4.01Å; L690-W702 HydrophobicContact CB-CG 3.74Å; L690-W702 HydrophobicContact CD2-CD2 3.94Å; L690-W702 HydrophobicContact CD2-CE3 3.94Å; L690-W702 HydrophobicContact CD2-CG 4.39Å; L690-W702 HydrophobicContact CD2-CH2 4.48Å; L690-W702 HydrophobicContact CD2-CZ2 4.5Å; L690-W702 HydrophobicContact CD2-CZ3 4.22Å; L690-L724 HydrophobicContact CD2-CD2 4.24Å; L690-F725 HydrophobicContact CD2-CE2 4.04Å; L690-F725 HydrophobicContact CD2-CZ 3.79Å; L690-F725 HydrophobicContact CG-CE2 3.96Å; L690-F725 HydrophobicContact CG-CZ 4.01Å; L690-L747 HydrophobicContact CD2-CD2 3.93Å; L690-Q750 HydrophobicContact CB-CG 4.22Å; L690-Q750 WeakPolarHBondContact O-CG 3.5Å; L690-Q750 PolarHBondContact O-NE2 3.31Å
691	D	82.5	Confident	64.7	Low	62 Å²	62	88.7 Å²	88.7	33%	0.332	46%	0.464	S	S	.	.			trans	-124	-175.1	173.2	82.7	19.6	0	0	0	113.7	H693 S694 G721 F725 L754	D691-H693 VanDerWaalsContact C-N 3.29Å; D691-H693 PolarHBondContact O-N 3.17Å; D691-H693 WeakPolarHBondContact OD1-CA 3.46Å; D691-H693 PolarHBondContact OD1-N 3.42Å; D691-S694 PolarHBondContact N-OG 2.8Å; D691-S694 VanDerWaalsContact N-OG 3.12Å; D691-S694 PolarHBondContact OD1-N 3.48Å; D691-G721 WeakPolarHBondContact O-CA 3.27Å; D691-F725 WeakPolarHBondContact O-CE2 3.03Å; D691-L754 HydrophobicContact CB-CD1 4.41Å; D691-L754 HydrophobicContact CB-CD2 3.74Å
692	Y	84.4	Confident	67.9	Low	75 Å²	75	80.4 Å²	80.4	29%	0.294	43%	0.425	S	S	.	.	S	Bend	trans	-73.6	-15.6	-178.7	-69.6	-79.6	0	0	0	114.1	A722 F725 K751 L754	Y692-A722 WeakPolarHBondContact O-CA 3.33Å; Y692-A722 WeakPolarHBondContact O-CB 3.26Å; Y692-A722 PolarHBondContact O-N 3.15Å; Y692-F725 HydrophobicContact CD1-CB 4Å; Y692-F725 AromaticContact CD1-CD2 3.76Å; Y692-F725 HydrophobicContact CD1-CD2 3.76Å; Y692-F725 HydrophobicContact CD1-CG 4.2Å; Y692-F725 HydrophobicContact CE1-CB 3.79Å; Y692-F725 HydrophobicContact CE1-CD2 4.04Å; Y692-F725 HydrophobicContact CE1-CG 4.08Å; Y692-F725 HydrophobicContact CG-CD2 4.27Å; Y692-K751 VanDerWaalsContact OH-CE 3.23Å; Y692-K751 WeakPolarHBondContact OH-CE 3.44Å; Y692-K751 WeakPolarHBondContact OH-CG 3.39Å; Y692-L754 HydrophobicContact CD2-CD1 4.12Å; Y692-L754 HydrophobicContact CE2-CB 4.36Å; Y692-L754 HydrophobicContact CE2-CD1 4.09Å
693	H	79.5	Confident	70.8	Confident	168 Å²	168	68.4 Å²	68.4	78%	0.778	38%	0.38	S	S	*	.	S	Bend	trans	-106.2	-15.3	-178.3	-60.6	-51.7	0	0	0	113.2	D691	D691-H693 VanDerWaalsContact C-N 3.29Å; D691-H693 PolarHBondContact O-N 3.17Å; D691-H693 WeakPolarHBondContact OD1-CA 3.46Å; D691-H693 PolarHBondContact OD1-N 3.42Å
694	S	86.9	Confident	73.5	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.014	38%	0.383	C	S	.	.			trans	-42.1	125.6	173.8	-74.2	0	0	0	0	113.3	D691 E698 G721	D691-S694 PolarHBondContact N-OG 2.8Å; D691-S694 VanDerWaalsContact N-OG 3.12Å; D691-S694 PolarHBondContact OD1-N 3.48Å; S694-E698 WeakPolarHBondContact CA-OE2 3.09Å; S694-E698 WeakPolarHBondContact CB-OE2 3.36Å; S694-E698 PolarHBondContact OG-OE2 3.37Å; S694-G721 PolarHBondContact O-N 3.1Å
695	P	84.9	Confident	75.6	Confident	55 Å²	55	69 Å²	69	36%	0.357	36%	0.364	S	S	.	.			trans	-67.8	166.9	174.3	29.5	-36.5	0	0	0	112	E697 E698 V699	P695-E697 PolarHBondContact O-N 3.03Å; P695-E697 VanDerWaalsContact O-N 3.1Å; P695-E698 HydrophobicContact CG-CB 4.42Å; P695-E698 HydrophobicContact CG-CG 4.09Å; P695-E698 PolarHBondContact O-N 2.94Å; P695-E698 VanDerWaalsContact O-N 3.14Å; P695-V699 PolarHBondContact O-N 3.18Å
696	P	86.2	Confident	77.7	Confident	40 Å²	40	61.8 Å²	61.8	26%	0.26	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-20.1	-178.5	-21.2	33.6	0	0	0	114.6	V699 A700 S717 L719 T720	P696-V699 WeakPolarHBondContact O-CB 3.3Å; P696-A700 PolarHBondContact O-N 3.11Å; P696-S717 WeakPolarHBondContact CB-O 3.43Å; P696-L719 WeakPolarHBondContact CA-O 3.22Å; P696-L719 WeakPolarHBondContact CB-O 3.39Å; P696-T720 HydrophobicContact CG-CG2 4.2Å
697	E	84	Confident	79.5	Confident	158 Å²	158	61 Å²	61	74%	0.738	33%	0.331	S	S	*	.	H	α-helix	trans	-68.9	-47.6	173.6	-63.1	178.6	169.7	0	0	111.6	P695 V699 A700 E701	P695-E697 PolarHBondContact O-N 3.03Å; P695-E697 VanDerWaalsContact O-N 3.1Å; E697-V699 VanDerWaalsContact C-N 3.3Å; E697-V699 PolarHBondContact O-N 3.41Å; E697-A700 WeakPolarHBondContact O-CA 3.49Å; E697-A700 VanDerWaalsContact O-CB 3.24Å; E697-A700 WeakPolarHBondContact O-CB 3.24Å; E697-A700 PolarHBondContact O-N 3.42Å; E697-E701 PolarHBondContact O-N 3Å
698	E	83.7	Confident	81.5	Confident	73 Å²	73	55.8 Å²	55.8	34%	0.341	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-35.6	173.3	-73.9	176.9	-159	0	0	112	S694 P695 A700 E701 W702	S694-E698 WeakPolarHBondContact CA-OE2 3.09Å; S694-E698 WeakPolarHBondContact CB-OE2 3.36Å; S694-E698 PolarHBondContact OG-OE2 3.37Å; P695-E698 HydrophobicContact CG-CB 4.42Å; P695-E698 HydrophobicContact CG-CG 4.09Å; P695-E698 PolarHBondContact O-N 2.94Å; P695-E698 VanDerWaalsContact O-N 3.14Å; E698-A700 VanDerWaalsContact C-N 3.31Å; E698-A700 PolarHBondContact O-N 3.17Å; E698-E701 PolarHBondContact O-N 3.18Å; E698-W702 WeakPolarHBondContact O-CB 3.44Å; E698-W702 PolarHBondContact O-N 3.21Å
699	V	87.1	Confident	82.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-42.8	170.8	167.8	0	0	0	0	110.9	L690 P695 P696 E697 L703 L724	L690-V699 HydrophobicContact CD1-CG2 3.59Å; P695-V699 PolarHBondContact O-N 3.18Å; P696-V699 WeakPolarHBondContact O-CB 3.3Å; E697-V699 VanDerWaalsContact C-N 3.3Å; E697-V699 PolarHBondContact O-N 3.41Å; V699-L703 HydrophobicContact CG1-CD1 3.8Å; V699-L703 HydrophobicContact CG1-CG 4.45Å; V699-L703 WeakPolarHBondContact O-CB 3.4Å; V699-L703 VanDerWaalsContact O-CG 3.26Å; V699-L703 WeakPolarHBondContact O-CG 3.07Å; V699-L703 PolarHBondContact O-N 2.97Å; V699-L724 HydrophobicContact CG1-CD2 3.62Å; V699-L724 HydrophobicContact CG2-CD2 4.3Å
700	A	85	Confident	83.4	Confident	21 Å²	21	56.3 Å²	56.3	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-46.6	176.9	0	0	0	0	0	111.9	P696 E697 E698 R704 V713	P696-A700 PolarHBondContact O-N 3.11Å; E697-A700 WeakPolarHBondContact O-CA 3.49Å; E697-A700 VanDerWaalsContact O-CB 3.24Å; E697-A700 WeakPolarHBondContact O-CB 3.24Å; E697-A700 PolarHBondContact O-N 3.42Å; E698-A700 VanDerWaalsContact C-N 3.31Å; E698-A700 PolarHBondContact O-N 3.17Å; A700-R704 WeakPolarHBondContact O-CB 3.4Å; A700-R704 PolarHBondContact O-N 3.31Å; A700-V713 HydrophobicContact CB-CG1 4.2Å
701	E	85.7	Confident	83.3	Confident	124 Å²	124	60.1 Å²	60.1	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-66.4	-43.3	179.6	-67.5	-164.1	158.5	0	0	112.3	E697 E698 R704 G705	E697-E701 PolarHBondContact O-N 3Å; E698-E701 PolarHBondContact O-N 3.18Å; E701-R704 PolarHBondContact O-N 2.99Å; E701-G705 PolarHBondContact O-N 3.47Å
702	W	89.1	Confident	83.2	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-47.5	176.3	-175.6	90.1	0	0	0	111.3	L690 E698 G705 K706 Q746 L747 Q750	L690-W702 HydrophobicContact CB-CB 4.29Å; L690-W702 HydrophobicContact CB-CD2 4.01Å; L690-W702 HydrophobicContact CB-CG 3.74Å; L690-W702 HydrophobicContact CD2-CD2 3.94Å; L690-W702 HydrophobicContact CD2-CE3 3.94Å; L690-W702 HydrophobicContact CD2-CG 4.39Å; L690-W702 HydrophobicContact CD2-CH2 4.48Å; L690-W702 HydrophobicContact CD2-CZ2 4.5Å; L690-W702 HydrophobicContact CD2-CZ3 4.22Å; E698-W702 WeakPolarHBondContact O-CB 3.44Å; E698-W702 PolarHBondContact O-N 3.21Å; W702-G705 PolarHBondContact O-N 3.02Å; W702-K706 HydrophobicContact CD2-CG 4.08Å; W702-K706 HydrophobicContact CE3-CG 4.35Å; W702-K706 HydrophobicContact CZ2-CG 4.36Å; W702-K706 VanDerWaalsContact O-CB 3.3Å; W702-K706 WeakPolarHBondContact O-CB 3.49Å; W702-K706 WeakPolarHBondContact O-CG 3.26Å; W702-K706 PolarHBondContact O-N 3.41Å; W702-Q746 HydrophobicContact CH2-CB 3.66Å; W702-Q746 HydrophobicContact CZ2-CB 4.25Å; W702-L747 HydrophobicContact CH2-CD2 3.81Å; W702-L747 HydrophobicContact CH2-CG 4.26Å; W702-L747 HydrophobicContact CZ3-CD2 3.85Å; W702-L747 HydrophobicContact CZ3-CG 4.42Å; W702-Q750 HydrophobicContact CZ2-CB 3.98Å; W702-Q750 HydrophobicContact CZ2-CG 4.16Å
703	L	86.3	Confident	83.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-44.9	177.9	-70.9	169.2	0	0	0	112.2	V699 K706 G707 F708 V713 L716 V743	V699-L703 HydrophobicContact CG1-CD1 3.8Å; V699-L703 HydrophobicContact CG1-CG 4.45Å; V699-L703 WeakPolarHBondContact O-CB 3.4Å; V699-L703 VanDerWaalsContact O-CG 3.26Å; V699-L703 WeakPolarHBondContact O-CG 3.07Å; V699-L703 PolarHBondContact O-N 2.97Å; L703-K706 PolarHBondContact O-N 3.47Å; L703-G707 PolarHBondContact O-N 3.19Å; L703-F708 HydrophobicContact CB-CD2 4.32Å; L703-F708 HydrophobicContact CD2-CD2 3.7Å; L703-F708 HydrophobicContact CD2-CE2 4.01Å; L703-F708 HydrophobicContact CD2-CG 4.37Å; L703-F708 WeakPolarHBondContact O-CD2 3.27Å; L703-F708 PolarHBondContact O-N 3.28Å; L703-V713 HydrophobicContact CB-CG2 3.95Å; L703-L716 HydrophobicContact CD1-CB 3.49Å; L703-L716 VanDerWaalsContact CD1-CB 3.49Å; L703-L716 HydrophobicContact CD1-CD1 4.03Å; L703-L716 HydrophobicContact CD1-CG 4.41Å; L703-L716 HydrophobicContact CD2-CD1 4.28Å; L703-V743 HydrophobicContact CD2-CG1 4.47Å
704	R	84.9	Confident	83.4	Confident	132 Å²	132	53 Å²	53	50%	0.498	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-47.7	177.5	-179.4	175.3	-62	-68.6	-8.6	111.4	A700 E701 K706 G707 D710 V713	A700-R704 WeakPolarHBondContact O-CB 3.4Å; A700-R704 PolarHBondContact O-N 3.31Å; E701-R704 PolarHBondContact O-N 2.99Å; R704-K706 PolarHBondContact O-N 3.45Å; R704-G707 PolarHBondContact O-N 2.93Å; R704-D710 IonicContact CZ-OD1 3.62Å; R704-D710 VanDerWaalsContact CZ-OD1 3.23Å; R704-D710 IonicContact NH1-OD1 3.85Å; R704-D710 PolarHBondContact NH1-OD1 3.43Å; R704-D710 IonicContact NH1-OD2 3.06Å; R704-D710 IonicContact NH2-OD1 2.69Å; R704-D710 PolarHBondContact NH2-OD1 2.92Å; R704-V713 HydrophobicContact CB-CG2 4.24Å
705	G	74.9	Confident	83.2	Confident	30 Å²	30	56 Å²	56	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-35.9	178.8	0	0	0	0	0	113.5	T686 E701 W702 G707	T686-G705 VanDerWaalsContact CG2-CA 3.5Å; T686-G705 WeakPolarHBondContact CG2-O 3.33Å; E701-G705 PolarHBondContact O-N 3.47Å; W702-G705 PolarHBondContact O-N 3.02Å; G705-G707 PolarHBondContact O-N 3.18Å; G705-G707 VanDerWaalsContact O-N 3.11Å
706	K	76.1	Confident	83.2	Confident	48 Å²	48	53.6 Å²	53.6	21%	0.209	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.9	172.2	-70.5	-74.5	-174.3	164.2	0	113.5	T686 W702 L703 R704 F708 R742	T686-K706 HydrophobicContact CG2-CD 4.5Å; T686-K706 HydrophobicContact CG2-CG 4.33Å; W702-K706 HydrophobicContact CD2-CG 4.08Å; W702-K706 HydrophobicContact CE3-CG 4.35Å; W702-K706 HydrophobicContact CZ2-CG 4.36Å; W702-K706 VanDerWaalsContact O-CB 3.3Å; W702-K706 WeakPolarHBondContact O-CB 3.49Å; W702-K706 WeakPolarHBondContact O-CG 3.26Å; W702-K706 PolarHBondContact O-N 3.41Å; L703-K706 PolarHBondContact O-N 3.47Å; R704-K706 PolarHBondContact O-N 3.45Å; K706-F708 HydrophobicContact CB-CD2 3.73Å; K706-F708 HydrophobicContact CB-CE2 3.64Å; K706-F708 HydrophobicContact CG-CE2 4.45Å; K706-R742 PolarHBondContact O-NH2 3.33Å
707	G	79	Confident	83	Confident	30 Å²	30	53.3 Å²	53.3	31%	0.309	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	38.4	177.1	0	0	0	0	0	113.1	L703 R704 G705 R742	L703-G707 PolarHBondContact O-N 3.19Å; R704-G707 PolarHBondContact O-N 2.93Å; G705-G707 PolarHBondContact O-N 3.18Å; G705-G707 VanDerWaalsContact O-N 3.11Å; G707-R742 VanDerWaalsContact O-CZ 3.3Å; G707-R742 PolarHBondContact O-NH1 3.04Å; G707-R742 PolarHBondContact O-NH2 3.4Å
708	F	85.5	Confident	82.9	Confident	13 Å²	13	51 Å²	51	6%	0.057	29%	0.286	C	S	.	.			trans	-79.9	154.8	162.6	-67.4	-75.2	0	0	0	110.1	L703 K706 T712 E739 R742 V743 Q746	L703-F708 HydrophobicContact CB-CD2 4.32Å; L703-F708 HydrophobicContact CD2-CD2 3.7Å; L703-F708 HydrophobicContact CD2-CE2 4.01Å; L703-F708 HydrophobicContact CD2-CG 4.37Å; L703-F708 WeakPolarHBondContact O-CD2 3.27Å; L703-F708 PolarHBondContact O-N 3.28Å; K706-F708 HydrophobicContact CB-CD2 3.73Å; K706-F708 HydrophobicContact CB-CE2 3.64Å; K706-F708 HydrophobicContact CG-CE2 4.45Å; F708-T712 HydrophobicContact CB-CG2 3.7Å; F708-T712 HydrophobicContact CD1-CG2 4.06Å; F708-T712 HydrophobicContact CG-CG2 4.06Å; F708-E739 HydrophobicContact CD1-CB 4.44Å; F708-E739 WeakPolarHBondContact CD1-OE1 3.44Å; F708-R742 HydrophobicContact CE1-CB 3.98Å; F708-R742 HydrophobicContact CE1-CG 3.59Å; F708-R742 HydrophobicContact CZ-CG 4.08Å; F708-V743 HydrophobicContact CD1-CG2 3.66Å; F708-V743 HydrophobicContact CE1-CB 4.19Å; F708-V743 HydrophobicContact CE1-CG2 3.37Å; F708-V743 HydrophobicContact CE2-CG2 4.42Å; F708-V743 HydrophobicContact CG-CG2 4.31Å; F708-V743 HydrophobicContact CZ-CB 4.28Å; F708-V743 HydrophobicContact CZ-CG2 3.81Å; F708-Q746 HydrophobicContact CE2-CB 4.47Å; F708-Q746 HydrophobicContact CE2-CG 4.24Å; F708-Q746 HydrophobicContact CZ-CB 4.26Å; F708-Q746 HydrophobicContact CZ-CG 3.9Å
709	S	82.4	Confident	83	Confident	54 Å²	54	49.6 Å²	49.6	38%	0.378	28%	0.28	S	S	.	.			trans	-68.9	152.4	-178.5	63.5	0	0	0	0	112.5	P711 T712 V713 E739	S709-P711 VanDerWaalsContact C-CD 3.49Å; S709-P711 VanDerWaalsContact C-N 3.32Å; S709-T712 WeakPolarHBondContact O-CA 3.45Å; S709-T712 WeakPolarHBondContact O-CB 3.33Å; S709-T712 PolarHBondContact O-N 3.37Å; S709-T712 PolarHBondContact OG-OG1 3.02Å; S709-V713 WeakPolarHBondContact O-CG2 3.19Å; S709-V713 PolarHBondContact O-N 3.43Å; S709-E739 WeakPolarHBondContact CB-OE2 3.48Å; S709-E739 PolarHBondContact N-OE2 2.77Å; S709-E739 PolarHBondContact OG-OE2 3.18Å
710	D	80.8	Confident	82.9	Confident	95 Å²	95	52 Å²	52	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-53.6	-38.3	178.8	-81.8	-70.7	0	0	0	114.5	R704 V713 Q714	R704-D710 IonicContact CZ-OD1 3.62Å; R704-D710 VanDerWaalsContact CZ-OD1 3.23Å; R704-D710 IonicContact NH1-OD1 3.85Å; R704-D710 PolarHBondContact NH1-OD1 3.43Å; R704-D710 IonicContact NH1-OD2 3.06Å; R704-D710 IonicContact NH2-OD1 2.69Å; R704-D710 PolarHBondContact NH2-OD1 2.92Å; D710-V713 PolarHBondContact O-N 3.34Å; D710-Q714 VanDerWaalsContact O-CB 3.32Å; D710-Q714 WeakPolarHBondContact O-CB 3.13Å; D710-Q714 PolarHBondContact O-N 2.9Å
711	P	79.9	Confident	82.8	Confident	80 Å²	80	51 Å²	51	52%	0.519	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-42.3	171	-24.9	36	0	0	0	113.4	S709 V713 Q714 C715	S709-P711 VanDerWaalsContact C-CD 3.49Å; S709-P711 VanDerWaalsContact C-N 3.32Å; P711-V713 VanDerWaalsContact C-N 3.35Å; P711-Q714 PolarHBondContact O-N 3.02Å; P711-C715 WeakPolarHBondContact O-CB 3.42Å; P711-C715 PolarHBondContact O-N 3.1Å; P711-C715 PolarHBondContact O-SG 3.02Å
712	T	81.9	Confident	82.7	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-43.5	173.9	-68.7	0	0	0	0	111.3	F708 S709 L716 L736 E739 V743	F708-T712 HydrophobicContact CB-CG2 3.7Å; F708-T712 HydrophobicContact CD1-CG2 4.06Å; F708-T712 HydrophobicContact CG-CG2 4.06Å; S709-T712 WeakPolarHBondContact O-CA 3.45Å; S709-T712 WeakPolarHBondContact O-CB 3.33Å; S709-T712 PolarHBondContact O-N 3.37Å; S709-T712 PolarHBondContact OG-OG1 3.02Å; T712-L716 HydrophobicContact CG2-CD1 4.13Å; T712-L716 WeakPolarHBondContact O-CG 3.42Å; T712-L716 PolarHBondContact O-N 2.74Å; T712-L736 HydrophobicContact CG2-CD1 3.72Å; T712-E739 VanDerWaalsContact CB-OE2 3.31Å; T712-E739 WeakPolarHBondContact CB-OE2 3.36Å; T712-E739 HydrophobicContact CG2-CB 4.49Å; T712-E739 PolarHBondContact OG1-OE2 3.22Å; T712-V743 HydrophobicContact CG2-CG2 3.84Å
713	V	86.6	Confident	82.3	Confident	3 Å²	3	52 Å²	52	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-53.3	174.6	179.3	0	0	0	0	109.5	A700 L703 R704 S709 D710 P711 C715 L716 S717	A700-V713 HydrophobicContact CB-CG1 4.2Å; L703-V713 HydrophobicContact CB-CG2 3.95Å; R704-V713 HydrophobicContact CB-CG2 4.24Å; S709-V713 WeakPolarHBondContact O-CG2 3.19Å; S709-V713 PolarHBondContact O-N 3.43Å; D710-V713 PolarHBondContact O-N 3.34Å; P711-V713 VanDerWaalsContact C-N 3.35Å; V713-C715 VanDerWaalsContact C-N 3.32Å; V713-C715 PolarHBondContact O-N 3.02Å; V713-L716 PolarHBondContact O-N 3.48Å; V713-L716 VanDerWaalsContact O-N 3.16Å; V713-S717 WeakPolarHBondContact O-CB 3.43Å; V713-S717 PolarHBondContact O-N 2.94Å; V713-S717 PolarHBondContact O-OG 2.9Å; V713-S717 VanDerWaalsContact O-OG 3.05Å
714	Q	80.8	Confident	82.3	Confident	147 Å²	147	52 Å²	52	69%	0.687	30%	0.299	S	S	*	.	H	α-helix	trans	-61.5	-33.9	-176.7	-172.9	177.3	8	0	0	113.8	D710 P711	D710-Q714 VanDerWaalsContact O-CB 3.32Å; D710-Q714 WeakPolarHBondContact O-CB 3.13Å; D710-Q714 PolarHBondContact O-N 2.9Å; P711-Q714 PolarHBondContact O-N 3.02Å
715	C	81.4	Confident	82.3	Confident	67 Å²	67	46 Å²	46	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-73.9	-30.6	177.7	-67.2	0	0	0	0	113.1	P711 V713 L736	P711-C715 WeakPolarHBondContact O-CB 3.42Å; P711-C715 PolarHBondContact O-N 3.1Å; P711-C715 PolarHBondContact O-SG 3.02Å; V713-C715 VanDerWaalsContact C-N 3.32Å; V713-C715 PolarHBondContact O-N 3.02Å; C715-L736 HydrophobicContact CB-CD2 4.26Å
716	L	85.1	Confident	82.8	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-103.8	-22.6	-173.9	-63.2	177.9	0	0	0	113.6	L703 T712 V713 V718 L719 L724 L727 L732 L736 V743	L703-L716 HydrophobicContact CD1-CB 3.49Å; L703-L716 VanDerWaalsContact CD1-CB 3.49Å; L703-L716 HydrophobicContact CD1-CD1 4.03Å; L703-L716 HydrophobicContact CD1-CG 4.41Å; L703-L716 HydrophobicContact CD2-CD1 4.28Å; T712-L716 HydrophobicContact CG2-CD1 4.13Å; T712-L716 WeakPolarHBondContact O-CG 3.42Å; T712-L716 PolarHBondContact O-N 2.74Å; V713-L716 PolarHBondContact O-N 3.48Å; V713-L716 VanDerWaalsContact O-N 3.16Å; L716-V718 PolarHBondContact O-N 3.5Å; L716-L719 HydrophobicContact CD2-CD1 4.11Å; L716-L719 WeakPolarHBondContact O-CB 3.37Å; L716-L719 PolarHBondContact O-N 3.07Å; L716-L724 HydrophobicContact CB-CD1 4.44Å; L716-L724 HydrophobicContact CD1-CD1 4.26Å; L716-L724 HydrophobicContact CD2-CD1 4.08Å; L716-L727 HydrophobicContact CD2-CD1 4.47Å; L716-L732 HydrophobicContact CD1-CD2 4.3Å; L716-L732 HydrophobicContact CD2-CD2 3.88Å; L716-L736 HydrophobicContact CD1-CD1 3.65Å; L716-L736 HydrophobicContact CD2-CD1 4.33Å; L716-L736 HydrophobicContact CG-CD1 3.99Å; L716-V743 HydrophobicContact CD1-CG1 3.75Å; L716-V743 HydrophobicContact CD1-CG2 4.09Å
717	S	82.9	Confident	83.1	Confident	34 Å²	34	49.3 Å²	49.3	24%	0.238	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	13.4	176.2	69.5	0	0	0	0	114.6	P696 V713	P696-S717 WeakPolarHBondContact CB-O 3.43Å; V713-S717 WeakPolarHBondContact O-CB 3.43Å; V713-S717 PolarHBondContact O-N 2.94Å; V713-S717 PolarHBondContact O-OG 2.9Å; V713-S717 VanDerWaalsContact O-OG 3.05Å
718	V	82.4	Confident	83.1	Confident	109 Å²	109	50.9 Å²	50.9	66%	0.661	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-16.3	169	-172.6	0	0	0	0	110.5	L716	L716-V718 PolarHBondContact O-N 3.5Å
719	L	84.9	Confident	82.9	Confident	44 Å²	44	54.3 Å²	54.3	23%	0.23	31%	0.313	C	S	.	.	S	Bend	trans	-93.1	146	-178.1	-54.6	177.6	0	0	0	111.1	P696 L716 Q723 L724 L727	P696-L719 WeakPolarHBondContact CA-O 3.22Å; P696-L719 WeakPolarHBondContact CB-O 3.39Å; L716-L719 HydrophobicContact CD2-CD1 4.11Å; L716-L719 WeakPolarHBondContact O-CB 3.37Å; L716-L719 PolarHBondContact O-N 3.07Å; L719-Q723 HydrophobicContact CB-CB 4.09Å; L719-Q723 HydrophobicContact CD2-CB 4.4Å; L719-L724 HydrophobicContact CB-CB 4.43Å; L719-L724 HydrophobicContact CD1-CD1 4.28Å; L719-L727 HydrophobicContact CD1-CD1 3.7Å
720	T	86.1	Confident	82.6	Confident	49 Å²	49	57 Å²	57	30%	0.301	32%	0.32	S	S	.	.			trans	-76.9	164	167	65.8	0	0	0	0	111.3	P696 A722 Q723 L724	P696-T720 HydrophobicContact CG-CG2 4.2Å; T720-A722 VanDerWaalsContact C-N 3.33Å; T720-A722 PolarHBondContact O-N 2.9Å; T720-Q723 PolarHBondContact O-N 2.98Å; T720-Q723 WeakPolarHBondContact OG1-CG 3.39Å; T720-Q723 PolarHBondContact OG1-N 2.72Å; T720-Q723 PolarHBondContact OG1-OE1 3.16Å; T720-L724 WeakPolarHBondContact O-CB 3.32Å; T720-L724 PolarHBondContact O-N 3.43Å
721	G	82.4	Confident	82.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-50.5	-48.3	175.4	0	0	0	0	0	113.3	D691 S694 Q723 L724 F725	D691-G721 WeakPolarHBondContact O-CA 3.27Å; S694-G721 PolarHBondContact O-N 3.1Å; G721-Q723 PolarHBondContact O-N 2.67Å; G721-L724 PolarHBondContact O-N 2.94Å; G721-F725 WeakPolarHBondContact O-CB 3.21Å; G721-F725 WeakPolarHBondContact O-CD2 3.33Å; G721-F725 PolarHBondContact O-N 3.38Å
722	A	83.9	Confident	82.4	Confident	47 Å²	47	52.7 Å²	52.7	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-42.2	175.3	0	0	0	0	0	113.8	Y692 T720 S726	Y692-A722 WeakPolarHBondContact O-CA 3.33Å; Y692-A722 WeakPolarHBondContact O-CB 3.26Å; Y692-A722 PolarHBondContact O-N 3.15Å; T720-A722 VanDerWaalsContact C-N 3.33Å; T720-A722 PolarHBondContact O-N 2.9Å; A722-S726 WeakPolarHBondContact O-CB 3.32Å; A722-S726 PolarHBondContact O-N 3.16Å; A722-S726 VanDerWaalsContact O-N 3.13Å
723	Q	79.3	Confident	82.3	Confident	100 Å²	100	59.9 Å²	59.9	47%	0.467	32%	0.316	S	S	.	.	H	α-helix	trans	-67	-45.5	178.2	-71.4	171	-35.7	0	0	110.8	L719 T720 G721 F725 S726 L727	L719-Q723 HydrophobicContact CB-CB 4.09Å; L719-Q723 HydrophobicContact CD2-CB 4.4Å; T720-Q723 PolarHBondContact O-N 2.98Å; T720-Q723 WeakPolarHBondContact OG1-CG 3.39Å; T720-Q723 PolarHBondContact OG1-N 2.72Å; T720-Q723 PolarHBondContact OG1-OE1 3.16Å; G721-Q723 PolarHBondContact O-N 2.67Å; Q723-F725 PolarHBondContact O-N 2.9Å; Q723-S726 WeakPolarHBondContact O-CB 3.46Å; Q723-S726 PolarHBondContact O-N 3.27Å; Q723-L727 PolarHBondContact O-N 3.44Å
724	L	87.1	Confident	81.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-39.4	179.1	-174.6	59.9	0	0	0	112.2	L690 V699 L716 L719 T720 G721 S726 L727 L747	L690-L724 HydrophobicContact CD2-CD2 4.24Å; V699-L724 HydrophobicContact CG1-CD2 3.62Å; V699-L724 HydrophobicContact CG2-CD2 4.3Å; L716-L724 HydrophobicContact CB-CD1 4.44Å; L716-L724 HydrophobicContact CD1-CD1 4.26Å; L716-L724 HydrophobicContact CD2-CD1 4.08Å; L719-L724 HydrophobicContact CB-CB 4.43Å; L719-L724 HydrophobicContact CD1-CD1 4.28Å; T720-L724 WeakPolarHBondContact O-CB 3.32Å; T720-L724 PolarHBondContact O-N 3.43Å; G721-L724 PolarHBondContact O-N 2.94Å; L724-S726 PolarHBondContact O-N 2.69Å; L724-L727 HydrophobicContact CD1-CD1 4.34Å; L724-L727 PolarHBondContact O-N 2.96Å; L724-L747 HydrophobicContact CD1-CD1 3.79Å; L724-L747 HydrophobicContact CD2-CD1 4.46Å; L724-L747 HydrophobicContact CD2-CD2 3.85Å; L724-L747 HydrophobicContact CG-CD1 3.73Å; L724-L747 HydrophobicContact CG-CD2 3.78Å; L724-L747 HydrophobicContact CG-CG 4.41Å
725	F	85.7	Confident	81.3	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.035	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.6	172	-74.1	-55.6	0	0	0	114.5	L690 D691 Y692 G721 Q723 L747 Q750 K751 L754	L690-F725 HydrophobicContact CD2-CE2 4.04Å; L690-F725 HydrophobicContact CD2-CZ 3.79Å; L690-F725 HydrophobicContact CG-CE2 3.96Å; L690-F725 HydrophobicContact CG-CZ 4.01Å; D691-F725 WeakPolarHBondContact O-CE2 3.03Å; Y692-F725 HydrophobicContact CD1-CB 4Å; Y692-F725 AromaticContact CD1-CD2 3.76Å; Y692-F725 HydrophobicContact CD1-CD2 3.76Å; Y692-F725 HydrophobicContact CD1-CG 4.2Å; Y692-F725 HydrophobicContact CE1-CB 3.79Å; Y692-F725 HydrophobicContact CE1-CD2 4.04Å; Y692-F725 HydrophobicContact CE1-CG 4.08Å; Y692-F725 HydrophobicContact CG-CD2 4.27Å; G721-F725 WeakPolarHBondContact O-CB 3.21Å; G721-F725 WeakPolarHBondContact O-CD2 3.33Å; G721-F725 PolarHBondContact O-N 3.38Å; Q723-F725 PolarHBondContact O-N 2.9Å; F725-L747 HydrophobicContact CD1-CB 4.27Å; F725-L747 HydrophobicContact CD1-CD2 4.06Å; F725-L747 HydrophobicContact CE1-CB 4.23Å; F725-L747 HydrophobicContact CE1-CD2 3.78Å; F725-L747 WeakPolarHBondContact CE1-O 3.36Å; F725-L747 HydrophobicContact CZ-CD2 4.4Å; F725-Q750 HydrophobicContact CE1-CB 4.07Å; F725-Q750 HydrophobicContact CE1-CG 4.22Å; F725-Q750 HydrophobicContact CZ-CB 4.08Å; F725-Q750 HydrophobicContact CZ-CG 3.7Å; F725-K751 HydrophobicContact CD1-CB 4.02Å; F725-K751 HydrophobicContact CD1-CD 4.17Å; F725-K751 HydrophobicContact CD1-CG 4.28Å; F725-K751 HydrophobicContact CE1-CB 4Å; F725-K751 PolarHBondContact O-NZ 3.38Å; F725-L754 HydrophobicContact CE2-CD1 3.78Å; F725-L754 HydrophobicContact CZ-CD1 3.8Å
726	S	84.9	Confident	81.3	Confident	95 Å²	95	58.7 Å²	58.7	66%	0.664	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-17.8	173.9	-167.1	0	0	0	0	113.1	A722 Q723 L724	A722-S726 WeakPolarHBondContact O-CB 3.32Å; A722-S726 PolarHBondContact O-N 3.16Å; A722-S726 VanDerWaalsContact O-N 3.13Å; Q723-S726 WeakPolarHBondContact O-CB 3.46Å; Q723-S726 PolarHBondContact O-N 3.27Å; L724-S726 PolarHBondContact O-N 2.69Å
727	L	81.8	Confident	80.5	Confident	51 Å²	51	62.9 Å²	62.9	27%	0.267	35%	0.352	S	S	.	.			trans	-70.6	138.1	179.1	-64.9	-178.1	0	0	0	111.7	L716 L719 Q723 L724 E731 L732	L716-L727 HydrophobicContact CD2-CD1 4.47Å; L719-L727 HydrophobicContact CD1-CD1 3.7Å; Q723-L727 PolarHBondContact O-N 3.44Å; L724-L727 HydrophobicContact CD1-CD1 4.34Å; L724-L727 PolarHBondContact O-N 2.96Å; L727-E731 VanDerWaalsContact CA-OE2 3.31Å; L727-E731 WeakPolarHBondContact CA-OE2 3.36Å; L727-L732 HydrophobicContact CB-CD1 4.18Å; L727-L732 HydrophobicContact CB-CD2 4.47Å; L727-L732 HydrophobicContact CB-CG 3.98Å; L727-L732 HydrophobicContact CD1-CD2 3.75Å; L727-L732 HydrophobicContact CD1-CG 4.12Å
728	N	79.6	Confident	79.8	Confident	64 Å²	64	68.6 Å²	68.6	34%	0.342	38%	0.38	S	S	.	.			trans	-86.9	172.2	172.3	70.6	56.7	0	0	0	112	E730 E731 L732	N728-E730 VanDerWaalsContact C-N 3.31Å; N728-E730 PolarHBondContact O-N 3.16Å; N728-E730 WeakPolarHBondContact OD1-CB 3.34Å; N728-E730 PolarHBondContact OD1-N 3.05Å; N728-E731 VanDerWaalsContact CG-CD 3.46Å; N728-E731 PolarHBondContact N-OE2 2.77Å; N728-E731 PolarHBondContact ND2-OE1 3.36Å; N728-E731 PolarHBondContact ND2-OE2 2.76Å; N728-E731 WeakPolarHBondContact OD1-CG 3.37Å; N728-E731 PolarHBondContact OD1-N 2.8Å; N728-L732 PolarHBondContact O-N 3.44Å; N728-L732 VanDerWaalsContact O-N 3.09Å
729	K	80.9	Confident	79.7	Confident	84 Å²	84	64.8 Å²	64.8	37%	0.365	36%	0.355	S	S	.	.	H	α-helix	trans	-68.5	-32.8	-174.5	176.1	-172.7	164.7	-151.1	0	112	R733 Y744	K729-R733 VanDerWaalsContact O-CB 3.25Å; K729-R733 WeakPolarHBondContact O-CB 3.32Å; K729-R733 PolarHBondContact O-N 2.95Å; K729-Y744 HydrophobicContact CB-CD1 3.67Å; K729-Y744 HydrophobicContact CB-CD2 3.78Å; K729-Y744 HydrophobicContact CB-CE1 3.8Å; K729-Y744 HydrophobicContact CB-CE2 3.91Å; K729-Y744 HydrophobicContact CB-CG 3.64Å; K729-Y744 HydrophobicContact CD-CD1 4.17Å; K729-Y744 HydrophobicContact CD-CE1 4.25Å; K729-Y744 HydrophobicContact CG-CD1 3.89Å; K729-Y744 HydrophobicContact CG-CE1 4.31Å; K729-Y744 HydrophobicContact CG-CG 4.09Å
730	E	76.1	Confident	79.1	Confident	111 Å²	111	62.7 Å²	62.7	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-78	-38.6	-177.4	-71.8	57.7	-130.3	0	0	111	N728 R733 A734	N728-E730 VanDerWaalsContact C-N 3.31Å; N728-E730 PolarHBondContact O-N 3.16Å; N728-E730 WeakPolarHBondContact OD1-CB 3.34Å; N728-E730 PolarHBondContact OD1-N 3.05Å; E730-R733 PolarHBondContact O-N 3.29Å; E730-A734 WeakPolarHBondContact O-CB 3.41Å; E730-A734 PolarHBondContact O-N 3.37Å
731	E	77.2	Confident	78.4	Confident	84 Å²	84	63.7 Å²	63.7	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-51.3	168.4	-74.6	163	176.9	0	0	111.8	L727 N728 R733 A734 V735	L727-E731 VanDerWaalsContact CA-OE2 3.31Å; L727-E731 WeakPolarHBondContact CA-OE2 3.36Å; N728-E731 VanDerWaalsContact CG-CD 3.46Å; N728-E731 PolarHBondContact N-OE2 2.77Å; N728-E731 PolarHBondContact ND2-OE1 3.36Å; N728-E731 PolarHBondContact ND2-OE2 2.76Å; N728-E731 WeakPolarHBondContact OD1-CG 3.37Å; N728-E731 PolarHBondContact OD1-N 2.8Å; E731-R733 VanDerWaalsContact C-N 3.25Å; E731-R733 PolarHBondContact O-N 2.93Å; E731-A734 PolarHBondContact O-N 3.31Å; E731-V735 PolarHBondContact O-N 2.84Å
732	L	80.4	Confident	78.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.9	-36.1	177.1	-79.1	166.6	0	0	0	111.6	L716 L727 N728 L736 G740 V743 Y744 L747	L716-L732 HydrophobicContact CD1-CD2 4.3Å; L716-L732 HydrophobicContact CD2-CD2 3.88Å; L727-L732 HydrophobicContact CB-CD1 4.18Å; L727-L732 HydrophobicContact CB-CD2 4.47Å; L727-L732 HydrophobicContact CB-CG 3.98Å; L727-L732 HydrophobicContact CD1-CD2 3.75Å; L727-L732 HydrophobicContact CD1-CG 4.12Å; N728-L732 PolarHBondContact O-N 3.44Å; N728-L732 VanDerWaalsContact O-N 3.09Å; L732-L736 WeakPolarHBondContact O-CA 3.49Å; L732-L736 WeakPolarHBondContact O-CB 3.36Å; L732-L736 PolarHBondContact O-N 3.45Å; L732-G740 WeakPolarHBondContact O-CA 3.33Å; L732-V743 HydrophobicContact CD1-CG1 4.19Å; L732-V743 HydrophobicContact CD2-CG1 4.02Å; L732-Y744 HydrophobicContact CD1-CD2 4.07Å; L732-Y744 HydrophobicContact CD1-CG 4.46Å; L732-L747 HydrophobicContact CD1-CD1 3.98Å
733	R	79.6	Confident	78.2	Confident	157 Å²	157	66.2 Å²	66.2	59%	0.592	35%	0.349	S	S	*	.	H	α-helix	trans	-70.9	-31.4	173.7	-177.2	179.1	178.6	-168.5	-1.5	113.1	K729 E730 E731 L736 P737 V741	K729-R733 VanDerWaalsContact O-CB 3.25Å; K729-R733 WeakPolarHBondContact O-CB 3.32Å; K729-R733 PolarHBondContact O-N 2.95Å; E730-R733 PolarHBondContact O-N 3.29Å; E731-R733 VanDerWaalsContact C-N 3.25Å; E731-R733 PolarHBondContact O-N 2.93Å; R733-L736 CarbonylContact O-C 3.59Å; R733-P737 WeakPolarHBondContact O-CA 3.49Å; R733-V741 HydrophobicContact CB-CG2 4.45Å; R733-V741 HydrophobicContact CG-CG2 4.48Å
734	A	74	Confident	78.4	Confident	85 Å²	85	65.4 Å²	65.4	70%	0.702	34%	0.343	S	S	*	.	H	α-helix	trans	-71.8	-36	177.7	0	0	0	0	0	112.2	E730 E731	E730-A734 WeakPolarHBondContact O-CB 3.41Å; E730-A734 PolarHBondContact O-N 3.37Å; E731-A734 PolarHBondContact O-N 3.31Å
735	V	72.4	Confident	78.1	Confident	93 Å²	93	68.4 Å²	68.4	56%	0.564	36%	0.364	S	S	*	.	H	α-helix	trans	-82.8	-36.1	175.9	-178	0	0	0	0	111.8	E731	E731-V735 PolarHBondContact O-N 2.84Å
736	L	80.5	Confident	78	Confident	13 Å²	13	70.8 Å²	70.8	7%	0.068	38%	0.375	C	S	.	.			trans	-128.7	86.4	-177	-58.6	171	0	0	0	109.9	T712 C715 L716 L732 R733 D738 G740 V743	T712-L736 HydrophobicContact CG2-CD1 3.72Å; C715-L736 HydrophobicContact CB-CD2 4.26Å; L716-L736 HydrophobicContact CD1-CD1 3.65Å; L716-L736 HydrophobicContact CD2-CD1 4.33Å; L716-L736 HydrophobicContact CG-CD1 3.99Å; L732-L736 WeakPolarHBondContact O-CA 3.49Å; L732-L736 WeakPolarHBondContact O-CB 3.36Å; L732-L736 PolarHBondContact O-N 3.45Å; R733-L736 CarbonylContact O-C 3.59Å; L736-D738 VanDerWaalsContact C-N 3.3Å; L736-D738 PolarHBondContact O-N 3.48Å; L736-G740 VanDerWaalsContact O-CA 3.31Å; L736-G740 WeakPolarHBondContact O-CA 3.41Å; L736-G740 PolarHBondContact O-N 2.89Å; L736-V743 HydrophobicContact CD1-CG2 4.26Å
737	P	68.5	Low	78	Confident	92 Å²	92	66.6 Å²	66.6	60%	0.597	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-37	-173.8	21.9	-32.9	0	0	0	113.4	R733	R733-P737 WeakPolarHBondContact O-CA 3.49Å
738	D	68.1	Low	77.9	Confident	155 Å²	155	67.5 Å²	67.5	83%	0.829	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-39.7	-175.8	-54	-60.2	0	0	0	113.2	L736	L736-D738 VanDerWaalsContact C-N 3.3Å; L736-D738 PolarHBondContact O-N 3.48Å
739	E	80.1	Confident	78.1	Confident	29 Å²	29	68.1 Å²	68.1	14%	0.136	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-15.1	-174.5	-65.4	-149.7	94.5	0	0	115.1	F708 S709 T712 V741 R742 V743	F708-E739 HydrophobicContact CD1-CB 4.44Å; F708-E739 WeakPolarHBondContact CD1-OE1 3.44Å; S709-E739 WeakPolarHBondContact CB-OE2 3.48Å; S709-E739 PolarHBondContact N-OE2 2.77Å; S709-E739 PolarHBondContact OG-OE2 3.18Å; T712-E739 VanDerWaalsContact CB-OE2 3.31Å; T712-E739 WeakPolarHBondContact CB-OE2 3.36Å; T712-E739 HydrophobicContact CG2-CB 4.49Å; T712-E739 PolarHBondContact OG1-OE2 3.22Å; E739-V741 VanDerWaalsContact C-N 3.3Å; E739-V741 PolarHBondContact O-N 2.81Å; E739-R742 CarbonylContact O-C 3.38Å; E739-R742 WeakPolarHBondContact O-CA 3.5Å; E739-R742 VanDerWaalsContact O-CB 3.29Å; E739-R742 WeakPolarHBondContact O-CB 3.36Å; E739-R742 PolarHBondContact O-N 3.37Å; E739-R742 IonicContact OE1-CZ 3.84Å; E739-R742 IonicContact OE1-NH1 2.64Å; E739-R742 PolarHBondContact OE1-NH1 2.96Å; E739-V743 PolarHBondContact O-N 3.27Å
740	G	71.9	Confident	78.1	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-37.4	-171.2	0	0	0	0	0	114.3	L732 L736 R742 V743 Y744	L732-G740 WeakPolarHBondContact O-CA 3.33Å; L736-G740 VanDerWaalsContact O-CA 3.31Å; L736-G740 WeakPolarHBondContact O-CA 3.41Å; L736-G740 PolarHBondContact O-N 2.89Å; G740-R742 VanDerWaalsContact C-N 3.34Å; G740-R742 PolarHBondContact O-N 3.02Å; G740-V743 PolarHBondContact O-N 3.41Å; G740-Y744 WeakPolarHBondContact O-CB 3.48Å; G740-Y744 PolarHBondContact O-N 3.12Å
741	V	72.9	Confident	78.3	Confident	69 Å²	69	63.6 Å²	63.6	42%	0.418	34%	0.338	S	S	.	.	H	α-helix	trans	-68.8	-32.6	175.3	-177.2	0	0	0	0	111.8	R733 E739 S745	R733-V741 HydrophobicContact CB-CG2 4.45Å; R733-V741 HydrophobicContact CG-CG2 4.48Å; E739-V741 VanDerWaalsContact C-N 3.3Å; E739-V741 PolarHBondContact O-N 2.81Å; V741-S745 WeakPolarHBondContact O-CB 3.47Å; V741-S745 PolarHBondContact O-N 2.87Å; V741-S745 VanDerWaalsContact O-N 3.16Å
742	R	82.1	Confident	78.3	Confident	100 Å²	100	62 Å²	62	38%	0.377	34%	0.339	S	S	.	.	H	α-helix	trans	-72.8	-40.3	175	-176.3	-167.1	166.7	-151.4	-2.7	110.9	K706 G707 F708 E739 G740 S745 Q746	K706-R742 PolarHBondContact O-NH2 3.33Å; G707-R742 VanDerWaalsContact O-CZ 3.3Å; G707-R742 PolarHBondContact O-NH1 3.04Å; G707-R742 PolarHBondContact O-NH2 3.4Å; F708-R742 HydrophobicContact CE1-CB 3.98Å; F708-R742 HydrophobicContact CE1-CG 3.59Å; F708-R742 HydrophobicContact CZ-CG 4.08Å; E739-R742 CarbonylContact O-C 3.38Å; E739-R742 WeakPolarHBondContact O-CA 3.5Å; E739-R742 VanDerWaalsContact O-CB 3.29Å; E739-R742 WeakPolarHBondContact O-CB 3.36Å; E739-R742 PolarHBondContact O-N 3.37Å; E739-R742 IonicContact OE1-CZ 3.84Å; E739-R742 IonicContact OE1-NH1 2.64Å; E739-R742 PolarHBondContact OE1-NH1 2.96Å; G740-R742 VanDerWaalsContact C-N 3.34Å; G740-R742 PolarHBondContact O-N 3.02Å; R742-S745 PolarHBondContact O-N 3.13Å; R742-Q746 PolarHBondContact O-N 3.03Å; R742-Q746 VanDerWaalsContact O-N 3.13Å
743	V	79.4	Confident	78.2	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-54	173.1	175.2	0	0	0	0	110.4	L703 F708 T712 L716 L732 L736 E739 G740 S745 Q746 L747	L703-V743 HydrophobicContact CD2-CG1 4.47Å; F708-V743 HydrophobicContact CD1-CG2 3.66Å; F708-V743 HydrophobicContact CE1-CB 4.19Å; F708-V743 HydrophobicContact CE1-CG2 3.37Å; F708-V743 HydrophobicContact CE2-CG2 4.42Å; F708-V743 HydrophobicContact CG-CG2 4.31Å; F708-V743 HydrophobicContact CZ-CB 4.28Å; F708-V743 HydrophobicContact CZ-CG2 3.81Å; T712-V743 HydrophobicContact CG2-CG2 3.84Å; L716-V743 HydrophobicContact CD1-CG1 3.75Å; L716-V743 HydrophobicContact CD1-CG2 4.09Å; L732-V743 HydrophobicContact CD1-CG1 4.19Å; L732-V743 HydrophobicContact CD2-CG1 4.02Å; L736-V743 HydrophobicContact CD1-CG2 4.26Å; E739-V743 PolarHBondContact O-N 3.27Å; G740-V743 PolarHBondContact O-N 3.41Å; V743-S745 PolarHBondContact O-N 3.49Å; V743-Q746 PolarHBondContact O-N 3.37Å; V743-Q746 VanDerWaalsContact O-N 3.07Å; V743-L747 HydrophobicContact CG1-CD1 3.72Å; V743-L747 HydrophobicContact CG1-CG 4.23Å; V743-L747 WeakPolarHBondContact O-CG 3.42Å; V743-L747 PolarHBondContact O-N 3.46Å
744	Y	83.8	Confident	78.1	Confident	84 Å²	84	61.3 Å²	61.3	33%	0.329	35%	0.346	S	S	.	.	H	α-helix	trans	-55.7	-39.1	179	-179	-97.1	0	0	0	112.6	K729 L732 G740 L747 T748	K729-Y744 HydrophobicContact CB-CD1 3.67Å; K729-Y744 HydrophobicContact CB-CD2 3.78Å; K729-Y744 HydrophobicContact CB-CE1 3.8Å; K729-Y744 HydrophobicContact CB-CE2 3.91Å; K729-Y744 HydrophobicContact CB-CG 3.64Å; K729-Y744 HydrophobicContact CD-CD1 4.17Å; K729-Y744 HydrophobicContact CD-CE1 4.25Å; K729-Y744 HydrophobicContact CG-CD1 3.89Å; K729-Y744 HydrophobicContact CG-CE1 4.31Å; K729-Y744 HydrophobicContact CG-CG 4.09Å; L732-Y744 HydrophobicContact CD1-CD2 4.07Å; L732-Y744 HydrophobicContact CD1-CG 4.46Å; G740-Y744 WeakPolarHBondContact O-CB 3.48Å; G740-Y744 PolarHBondContact O-N 3.12Å; Y744-L747 PolarHBondContact O-N 2.74Å; Y744-T748 WeakPolarHBondContact O-CB 3.4Å; Y744-T748 PolarHBondContact O-N 2.97Å; Y744-T748 PolarHBondContact O-OG1 3.47Å
745	S	80.6	Confident	78.1	Confident	63 Å²	63	60 Å²	60	44%	0.441	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175.3	-176.6	0	0	0	0	112.5	V741 R742 V743 T748 V749	V741-S745 WeakPolarHBondContact O-CB 3.47Å; V741-S745 PolarHBondContact O-N 2.87Å; V741-S745 VanDerWaalsContact O-N 3.16Å; R742-S745 PolarHBondContact O-N 3.13Å; V743-S745 PolarHBondContact O-N 3.49Å; S745-T748 PolarHBondContact O-N 3.1Å; S745-V749 WeakPolarHBondContact O-CG2 3.26Å; S745-V749 PolarHBondContact O-N 3.46Å; S745-V749 VanDerWaalsContact O-N 3.16Å
746	Q	82.3	Confident	78.1	Confident	58 Å²	58	59.9 Å²	59.9	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-39.3	175.9	-72	-62.3	-61.4	0	0	112.6	W702 F708 R742 V743 V749 Q750	W702-Q746 HydrophobicContact CH2-CB 3.66Å; W702-Q746 HydrophobicContact CZ2-CB 4.25Å; F708-Q746 HydrophobicContact CE2-CB 4.47Å; F708-Q746 HydrophobicContact CE2-CG 4.24Å; F708-Q746 HydrophobicContact CZ-CB 4.26Å; F708-Q746 HydrophobicContact CZ-CG 3.9Å; R742-Q746 PolarHBondContact O-N 3.03Å; R742-Q746 VanDerWaalsContact O-N 3.13Å; V743-Q746 PolarHBondContact O-N 3.37Å; V743-Q746 VanDerWaalsContact O-N 3.07Å; Q746-V749 PolarHBondContact O-N 3.15Å; Q746-Q750 WeakPolarHBondContact O-CB 3.09Å; Q746-Q750 PolarHBondContact O-N 3.1Å
747	L	85.1	Confident	77.7	Confident	7 Å²	7	62 Å²	62	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-40.3	175.5	-68.7	171.3	0	0	0	111.7	L690 W702 L724 F725 L732 V743 Y744 V749 Q750 K751	L690-L747 HydrophobicContact CD2-CD2 3.93Å; W702-L747 HydrophobicContact CH2-CD2 3.81Å; W702-L747 HydrophobicContact CH2-CG 4.26Å; W702-L747 HydrophobicContact CZ3-CD2 3.85Å; W702-L747 HydrophobicContact CZ3-CG 4.42Å; L724-L747 HydrophobicContact CD1-CD1 3.79Å; L724-L747 HydrophobicContact CD2-CD1 4.46Å; L724-L747 HydrophobicContact CD2-CD2 3.85Å; L724-L747 HydrophobicContact CG-CD1 3.73Å; L724-L747 HydrophobicContact CG-CD2 3.78Å; L724-L747 HydrophobicContact CG-CG 4.41Å; F725-L747 HydrophobicContact CD1-CB 4.27Å; F725-L747 HydrophobicContact CD1-CD2 4.06Å; F725-L747 HydrophobicContact CE1-CB 4.23Å; F725-L747 HydrophobicContact CE1-CD2 3.78Å; F725-L747 WeakPolarHBondContact CE1-O 3.36Å; F725-L747 HydrophobicContact CZ-CD2 4.4Å; L732-L747 HydrophobicContact CD1-CD1 3.98Å; V743-L747 HydrophobicContact CG1-CD1 3.72Å; V743-L747 HydrophobicContact CG1-CG 4.23Å; V743-L747 WeakPolarHBondContact O-CG 3.42Å; V743-L747 PolarHBondContact O-N 3.46Å; Y744-L747 PolarHBondContact O-N 2.74Å; L747-V749 VanDerWaalsContact C-N 3.33Å; L747-V749 PolarHBondContact O-N 2.89Å; L747-Q750 PolarHBondContact O-N 2.97Å; L747-K751 WeakPolarHBondContact O-CB 3.36Å; L747-K751 PolarHBondContact O-N 2.88Å
748	T	81.3	Confident	77.9	Confident	69 Å²	69	62.9 Å²	62.9	42%	0.423	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-42.1	176.6	-58.9	0	0	0	0	111.5	Y744 S745 A752	Y744-T748 WeakPolarHBondContact O-CB 3.4Å; Y744-T748 PolarHBondContact O-N 2.97Å; Y744-T748 PolarHBondContact O-OG1 3.47Å; S745-T748 PolarHBondContact O-N 3.1Å; T748-A752 PolarHBondContact O-N 2.89Å; T748-A752 VanDerWaalsContact O-N 3.14Å
749	V	82.1	Confident	77.8	Confident	77 Å²	77	61.5 Å²	61.5	47%	0.467	32%	0.319	S	S	.	.	H	α-helix	trans	-65.5	-47.6	175.3	173.7	0	0	0	0	111.4	S745 Q746 L747 K751 A752 L753	S745-V749 WeakPolarHBondContact O-CG2 3.26Å; S745-V749 PolarHBondContact O-N 3.46Å; S745-V749 VanDerWaalsContact O-N 3.16Å; Q746-V749 PolarHBondContact O-N 3.15Å; L747-V749 VanDerWaalsContact C-N 3.33Å; L747-V749 PolarHBondContact O-N 2.89Å; V749-K751 VanDerWaalsContact C-N 3.33Å; V749-K751 PolarHBondContact O-N 3.42Å; V749-A752 PolarHBondContact O-N 3.17Å; V749-L753 HydrophobicContact CG1-CD1 4.36Å; V749-L753 WeakPolarHBondContact O-CG 3.36Å; V749-L753 PolarHBondContact O-N 3.1Å; V749-L753 VanDerWaalsContact O-N 3.16Å
750	Q	82.1	Confident	77.2	Confident	20 Å²	20	62.9 Å²	62.9	9%	0.093	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-41.3	178.9	-169.9	71.1	22.6	0	0	111.7	L690 W702 F725 Q746 L747 A752 L753 L754	L690-Q750 HydrophobicContact CB-CG 4.22Å; L690-Q750 WeakPolarHBondContact O-CG 3.5Å; L690-Q750 PolarHBondContact O-NE2 3.31Å; W702-Q750 HydrophobicContact CZ2-CB 3.98Å; W702-Q750 HydrophobicContact CZ2-CG 4.16Å; F725-Q750 HydrophobicContact CE1-CB 4.07Å; F725-Q750 HydrophobicContact CE1-CG 4.22Å; F725-Q750 HydrophobicContact CZ-CB 4.08Å; F725-Q750 HydrophobicContact CZ-CG 3.7Å; Q746-Q750 WeakPolarHBondContact O-CB 3.09Å; Q746-Q750 PolarHBondContact O-N 3.1Å; L747-Q750 PolarHBondContact O-N 2.97Å; Q750-A752 VanDerWaalsContact C-N 3.34Å; Q750-A752 PolarHBondContact O-N 3.12Å; Q750-L753 PolarHBondContact O-N 2.83Å; Q750-L754 WeakPolarHBondContact O-CG 3.46Å; Q750-L754 PolarHBondContact O-N 2.92Å; Q750-L754 VanDerWaalsContact O-N 3.09Å
751	K	80.6	Confident	77.2	Confident	81 Å²	81	67.1 Å²	67.1	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-36.5	177.9	-163.7	170.4	-171.9	171.3	0	112.6	Y692 F725 L747 V749 E755	Y692-K751 VanDerWaalsContact OH-CE 3.23Å; Y692-K751 WeakPolarHBondContact OH-CE 3.44Å; Y692-K751 WeakPolarHBondContact OH-CG 3.39Å; F725-K751 HydrophobicContact CD1-CB 4.02Å; F725-K751 HydrophobicContact CD1-CD 4.17Å; F725-K751 HydrophobicContact CD1-CG 4.28Å; F725-K751 HydrophobicContact CE1-CB 4Å; F725-K751 PolarHBondContact O-NZ 3.38Å; L747-K751 WeakPolarHBondContact O-CB 3.36Å; L747-K751 PolarHBondContact O-N 2.88Å; V749-K751 VanDerWaalsContact C-N 3.33Å; V749-K751 PolarHBondContact O-N 3.42Å; K751-E755 PolarHBondContact O-N 3.12Å
752	A	77.2	Confident	77	Confident	51 Å²	51	69.2 Å²	69.2	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-43.4	173.4	0	0	0	0	0	112.2	T748 V749 Q750 L754 E755 D756	T748-A752 PolarHBondContact O-N 2.89Å; T748-A752 VanDerWaalsContact O-N 3.14Å; V749-A752 PolarHBondContact O-N 3.17Å; Q750-A752 VanDerWaalsContact C-N 3.34Å; Q750-A752 PolarHBondContact O-N 3.12Å; A752-L754 VanDerWaalsContact C-N 3.34Å; A752-L754 PolarHBondContact O-N 3.41Å; A752-E755 PolarHBondContact O-N 3.15Å; A752-D756 PolarHBondContact O-N 2.9Å
753	L	77.1	Confident	76.1	Confident	104 Å²	104	69.4 Å²	69.4	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-39.3	177.6	-66.5	170.7	0	0	0	112.5	V749 Q750 D756 A757	V749-L753 HydrophobicContact CG1-CD1 4.36Å; V749-L753 WeakPolarHBondContact O-CG 3.36Å; V749-L753 PolarHBondContact O-N 3.1Å; V749-L753 VanDerWaalsContact O-N 3.16Å; Q750-L753 PolarHBondContact O-N 2.83Å; L753-D756 PolarHBondContact O-N 3.43Å; L753-A757 WeakPolarHBondContact O-CB 3.44Å; L753-A757 PolarHBondContact O-N 3.1Å
754	L	78.7	Confident	75.6	Confident	38 Å²	38	75.9 Å²	75.9	20%	0.199	40%	0.404	C	S	.	.	H	α-helix	trans	-64.4	-41.6	175.3	-67.2	167.7	0	0	0	112.4	D691 Y692 F725 Q750 A752 K758	D691-L754 HydrophobicContact CB-CD1 4.41Å; D691-L754 HydrophobicContact CB-CD2 3.74Å; Y692-L754 HydrophobicContact CD2-CD1 4.12Å; Y692-L754 HydrophobicContact CE2-CB 4.36Å; Y692-L754 HydrophobicContact CE2-CD1 4.09Å; F725-L754 HydrophobicContact CE2-CD1 3.78Å; F725-L754 HydrophobicContact CZ-CD1 3.8Å; Q750-L754 WeakPolarHBondContact O-CG 3.46Å; Q750-L754 PolarHBondContact O-N 2.92Å; Q750-L754 VanDerWaalsContact O-N 3.09Å; A752-L754 VanDerWaalsContact C-N 3.34Å; A752-L754 PolarHBondContact O-N 3.41Å; L754-K758 WeakPolarHBondContact O-CB 3.47Å; L754-K758 PolarHBondContact O-N 2.82Å
755	E	73.5	Confident	75.1	Confident	57 Å²	57	74.8 Å²	74.8	27%	0.266	41%	0.413	S	S	.	.	H	α-helix	trans	-66.7	-38.1	177.8	-81.7	-68.1	129.5	0	0	112.8	K751 A752 R759	K751-E755 PolarHBondContact O-N 3.12Å; A752-E755 PolarHBondContact O-N 3.15Å; E755-R759 VanDerWaalsContact O-CG 3.3Å; E755-R759 WeakPolarHBondContact O-CG 3.02Å; E755-R759 PolarHBondContact O-N 3.35Å; E755-R759 VanDerWaalsContact O-N 3.13Å; E755-R759 IonicContact OE2-CZ 2.69Å; E755-R759 IonicContact OE2-NH2 2.96Å; E755-R759 PolarHBondContact OE2-NH2 3.35Å
756	D	72.3	Confident	74.7	Confident	91 Å²	91	75.3 Å²	75.3	49%	0.487	41%	0.413	S	S	.	.	H	α-helix	trans	-74.7	-35.3	176.3	-73.5	-24.3	0	0	0	112.5	A752 L753 R759 A760	A752-D756 PolarHBondContact O-N 2.9Å; L753-D756 PolarHBondContact O-N 3.43Å; D756-R759 PolarHBondContact O-N 3.01Å; D756-R759 IonicContact OD1-CZ 2.68Å; D756-R759 IonicContact OD1-NH1 2.63Å; D756-R759 PolarHBondContact OD1-NH1 2.84Å; D756-A760 PolarHBondContact O-N 3.19Å; D756-A760 VanDerWaalsContact O-N 3.07Å
757	A	71.5	Confident	74.2	Confident	58 Å²	58	78.3 Å²	78.3	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-46.2	170.3	0	0	0	0	0	111.6	L753 R759 A760 T761	L753-A757 WeakPolarHBondContact O-CB 3.44Å; L753-A757 PolarHBondContact O-N 3.1Å; A757-R759 PolarHBondContact O-N 3.31Å; A757-A760 WeakPolarHBondContact O-CB 3.35Å; A757-A760 PolarHBondContact O-N 2.95Å; A757-A760 VanDerWaalsContact O-N 3.16Å; A757-T761 PolarHBondContact O-N 3.35Å; A757-T761 VanDerWaalsContact O-N 3.15Å; A757-T761 PolarHBondContact O-OG1 2.78Å; A757-T761 VanDerWaalsContact O-OG1 3.1Å
758	K	72.5	Confident	73.6	Confident	109 Å²	109	82 Å²	82	47%	0.474	45%	0.446	S	S	.	.	H	α-helix	trans	-59.3	-43	176.2	179.8	-177.6	172.1	-171.6	0	112.6	L754 A760 T761 E762	L754-K758 WeakPolarHBondContact O-CB 3.47Å; L754-K758 PolarHBondContact O-N 2.82Å; K758-A760 VanDerWaalsContact C-N 3.3Å; K758-A760 PolarHBondContact O-N 2.73Å; K758-T761 PolarHBondContact O-N 3.47Å; K758-E762 WeakPolarHBondContact CE-OE1 3.33Å; K758-E762 PolarHBondContact O-N 2.69Å
759	R	67.8	Low	73.5	Confident	127 Å²	127	86 Å²	86	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-62.6	-35.8	176.1	-72.1	165.5	-164.6	138.3	13.2	112.4	E755 D756 A757 L763	E755-R759 VanDerWaalsContact O-CG 3.3Å; E755-R759 WeakPolarHBondContact O-CG 3.02Å; E755-R759 PolarHBondContact O-N 3.35Å; E755-R759 VanDerWaalsContact O-N 3.13Å; E755-R759 IonicContact OE2-CZ 2.69Å; E755-R759 IonicContact OE2-NH2 2.96Å; E755-R759 PolarHBondContact OE2-NH2 3.35Å; D756-R759 PolarHBondContact O-N 3.01Å; D756-R759 IonicContact OD1-CZ 2.68Å; D756-R759 IonicContact OD1-NH1 2.63Å; D756-R759 PolarHBondContact OD1-NH1 2.84Å; A757-R759 PolarHBondContact O-N 3.31Å; R759-L763 WeakPolarHBondContact O-CB 3.36Å; R759-L763 PolarHBondContact O-N 3.09Å
760	A	65.9	Low	73	Confident	57 Å²	57	88.2 Å²	88.2	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-64	-45.7	174.3	0	0	0	0	0	111.5	D756 A757 K758 L763 E764	D756-A760 PolarHBondContact O-N 3.19Å; D756-A760 VanDerWaalsContact O-N 3.07Å; A757-A760 WeakPolarHBondContact O-CB 3.35Å; A757-A760 PolarHBondContact O-N 2.95Å; A757-A760 VanDerWaalsContact O-N 3.16Å; K758-A760 VanDerWaalsContact C-N 3.3Å; K758-A760 PolarHBondContact O-N 2.73Å; A760-L763 PolarHBondContact O-N 3.02Å; A760-E764 WeakPolarHBondContact O-CB 3.46Å; A760-E764 PolarHBondContact O-N 3.36Å
761	T	71.9	Confident	72.7	Confident	90 Å²	90	92.5 Å²	92.5	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-65.5	-39.6	178.2	-33.3	0	0	0	0	112.6	A757 K758 E764 A765	A757-T761 PolarHBondContact O-N 3.35Å; A757-T761 VanDerWaalsContact O-N 3.15Å; A757-T761 PolarHBondContact O-OG1 2.78Å; A757-T761 VanDerWaalsContact O-OG1 3.1Å; K758-T761 PolarHBondContact O-N 3.47Å; T761-E764 PolarHBondContact O-N 3.06Å; T761-A765 WeakPolarHBondContact O-CB 3.08Å; T761-A765 PolarHBondContact O-N 2.8Å
762	E	68.8	Low	72.4	Confident	112 Å²	112	93.7 Å²	93.7	52%	0.523	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.5	-74	179.8	-163.7	0	0	111.8	K758 V766	K758-E762 WeakPolarHBondContact CE-OE1 3.33Å; K758-E762 PolarHBondContact O-N 2.69Å; E762-V766 WeakPolarHBondContact O-CG2 3.45Å; E762-V766 PolarHBondContact O-N 3.31Å; E762-V766 VanDerWaalsContact O-N 3.1Å
763	L	63.3	Low	72.2	Confident	105 Å²	105	98.8 Å²	98.8	55%	0.55	50%	0.5	S	S	.	.	H	α-helix	trans	-66.3	-44.1	176	179.8	61.3	0	0	0	112.1	R759 A760 V766 M767	R759-L763 WeakPolarHBondContact O-CB 3.36Å; R759-L763 PolarHBondContact O-N 3.09Å; A760-L763 PolarHBondContact O-N 3.02Å; L763-V766 WeakPolarHBondContact O-CB 3.44Å; L763-V766 PolarHBondContact O-N 2.86Å; L763-M767 HydrophobicContact CD1-CG 4.5Å; L763-M767 HydrophobicContact CD1-SD 4.46Å; L763-M767 HydrophobicContact CG-SD 4.21Å; L763-M767 WeakPolarHBondContact O-CG 3.36Å; L763-M767 PolarHBondContact O-N 2.8Å
764	E	70.1	Confident	72.1	Confident	135 Å²	135	98.1 Å²	98.1	63%	0.631	50%	0.501	S	S	*	.	H	α-helix	trans	-62.2	-44.5	178.4	-172.7	166.4	-140.3	0	0	111.5	A760 T761 V766 M767 E768	A760-E764 WeakPolarHBondContact O-CB 3.46Å; A760-E764 PolarHBondContact O-N 3.36Å; T761-E764 PolarHBondContact O-N 3.06Å; E764-V766 VanDerWaalsContact C-N 3.3Å; E764-V766 PolarHBondContact O-N 3.35Å; E764-M767 PolarHBondContact O-N 3.09Å; E764-M767 VanDerWaalsContact O-N 3.1Å; E764-E768 PolarHBondContact O-N 3.32Å
765	A	73.9	Confident	71.6	Confident	62 Å²	62	100 Å²	100	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-34.6	173.8	0	0	0	0	0	113	T761 K769	T761-A765 WeakPolarHBondContact O-CB 3.08Å; T761-A765 PolarHBondContact O-N 2.8Å; A765-K769 VanDerWaalsContact O-CB 3.26Å; A765-K769 WeakPolarHBondContact O-CB 3.23Å; A765-K769 PolarHBondContact O-N 2.84Å
766	V	71.3	Confident	71.4	Confident	74 Å²	74	102.7 Å²	102.7	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-69.4	-37.8	172.6	167.4	0	0	0	0	111.6	E762 L763 E764 Q770	E762-V766 WeakPolarHBondContact O-CG2 3.45Å; E762-V766 PolarHBondContact O-N 3.31Å; E762-V766 VanDerWaalsContact O-N 3.1Å; L763-V766 WeakPolarHBondContact O-CB 3.44Å; L763-V766 PolarHBondContact O-N 2.86Å; E764-V766 VanDerWaalsContact C-N 3.3Å; E764-V766 PolarHBondContact O-N 3.35Å; V766-Q770 WeakPolarHBondContact O-CG 3.3Å; V766-Q770 PolarHBondContact O-N 3.45Å
767	M	71.1	Confident	71	Confident	121 Å²	121	105.3 Å²	105.3	60%	0.596	53%	0.533	S	S	*	.	H	α-helix	trans	-68.5	-45.8	177.6	-73.4	177.6	61.6	0	0	112.1	L763 E764 K769 Q770 K771	L763-M767 HydrophobicContact CD1-CG 4.5Å; L763-M767 HydrophobicContact CD1-SD 4.46Å; L763-M767 HydrophobicContact CG-SD 4.21Å; L763-M767 WeakPolarHBondContact O-CG 3.36Å; L763-M767 PolarHBondContact O-N 2.8Å; E764-M767 PolarHBondContact O-N 3.09Å; E764-M767 VanDerWaalsContact O-N 3.1Å; M767-K769 VanDerWaalsContact C-N 3.29Å; M767-K769 PolarHBondContact O-N 3.29Å; M767-Q770 PolarHBondContact O-N 2.85Å; M767-Q770 VanDerWaalsContact O-N 3.12Å; M767-K771 WeakPolarHBondContact O-CB 3.45Å; M767-K771 PolarHBondContact O-N 3.01Å
768	E	73.6	Confident	70.6	Confident	83 Å²	83	108.2 Å²	108.2	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-58.2	-42.8	174.3	-169	67	-108.1	0	0	111	E764 Q770 K771 Q772	E764-E768 PolarHBondContact O-N 3.32Å; E768-Q770 VanDerWaalsContact C-N 3.33Å; E768-Q770 PolarHBondContact O-N 3.08Å; E768-K771 WeakPolarHBondContact O-CB 3.39Å; E768-K771 PolarHBondContact O-N 2.96Å; E768-K771 WeakPolarHBondContact OE1-CE 3.43Å; E768-K771 IonicContact OE1-NZ 3.44Å; E768-K771 PolarHBondContact OE1-NZ 3.02Å; E768-K771 IonicContact OE2-NZ 2.71Å; E768-Q772 WeakPolarHBondContact O-CG 3.25Å; E768-Q772 PolarHBondContact O-N 3.08Å
769	K	79.1	Confident	69.8	Low	154 Å²	154	109.1 Å²	109.1	67%	0.67	55%	0.546	S	S	*	.	H	α-helix	trans	-69.1	-26.4	177.1	-166.6	169.7	-171.1	168.5	0	113.8	A765 M767 K773	A765-K769 VanDerWaalsContact O-CB 3.26Å; A765-K769 WeakPolarHBondContact O-CB 3.23Å; A765-K769 PolarHBondContact O-N 2.84Å; M767-K769 VanDerWaalsContact C-N 3.29Å; M767-K769 PolarHBondContact O-N 3.29Å; K769-K773 WeakPolarHBondContact O-CB 3.29Å; K769-K773 PolarHBondContact O-N 3.47Å
770	Q	70.6	Confident	69.4	Low	124 Å²	124	107.1 Å²	107.1	58%	0.579	55%	0.551	S	S	*	*	H	α-helix	trans	-77.2	-42.2	170.8	-76.5	-171.8	45.6	0	0	111.9	V766 M767 E768 K773 V774	V766-Q770 WeakPolarHBondContact O-CG 3.3Å; V766-Q770 PolarHBondContact O-N 3.45Å; M767-Q770 PolarHBondContact O-N 2.85Å; M767-Q770 VanDerWaalsContact O-N 3.12Å; E768-Q770 VanDerWaalsContact C-N 3.33Å; E768-Q770 PolarHBondContact O-N 3.08Å; Q770-K773 CarbonylContact O-C 3.53Å; Q770-K773 WeakPolarHBondContact O-CB 3.45Å; Q770-K773 PolarHBondContact O-N 3Å; Q770-K773 VanDerWaalsContact O-N 3.13Å; Q770-V774 WeakPolarHBondContact O-CG2 3.48Å; Q770-V774 PolarHBondContact O-N 3.14Å
771	K	75.9	Confident	68.8	Low	110 Å²	110	108.8 Å²	108.8	48%	0.478	56%	0.56	S	S	.	*	H	α-helix	trans	-55.8	-55.8	174.9	169.9	-177.9	156.5	-140.4	0	111.3	M767 E768 K773 V774 D775	M767-K771 WeakPolarHBondContact O-CB 3.45Å; M767-K771 PolarHBondContact O-N 3.01Å; E768-K771 WeakPolarHBondContact O-CB 3.39Å; E768-K771 PolarHBondContact O-N 2.96Å; E768-K771 WeakPolarHBondContact OE1-CE 3.43Å; E768-K771 IonicContact OE1-NZ 3.44Å; E768-K771 PolarHBondContact OE1-NZ 3.02Å; E768-K771 IonicContact OE2-NZ 2.71Å; K771-K773 PolarHBondContact O-N 2.84Å; K771-K773 VanDerWaalsContact O-N 3.1Å; K771-V774 WeakPolarHBondContact O-CA 3.43Å; K771-V774 WeakPolarHBondContact O-CB 3.29Å; K771-V774 PolarHBondContact O-N 3.36Å; K771-D775 WeakPolarHBondContact CG-OD2 3.43Å; K771-D775 VanDerWaalsContact O-CG 3.27Å; K771-D775 PolarHBondContact O-N 3.11Å
772	Q	74.5	Confident	67.8	Low	105 Å²	105	110 Å²	110	49%	0.491	57%	0.567	S	S	.	*	H	α-helix	trans	-53.3	-36.4	174.3	-69.1	172.5	8	0	0	113	E768 L776	E768-Q772 WeakPolarHBondContact O-CG 3.25Å; E768-Q772 PolarHBondContact O-N 3.08Å; Q772-L776 WeakPolarHBondContact O-CB 3.47Å; Q772-L776 WeakPolarHBondContact O-CD1 3.3Å; Q772-L776 VanDerWaalsContact O-CG 3.26Å; Q772-L776 WeakPolarHBondContact O-CG 3.3Å; Q772-L776 PolarHBondContact O-N 3.48Å
773	K	73.3	Confident	66.6	Low	159 Å²	159	115.5 Å²	115.5	69%	0.691	60%	0.599	S	S	*	*	H	α-helix	trans	-77.5	-17.7	178.6	-167.8	174.1	-177.1	178.9	0	113.7	K769 Q770 K771 K777	K769-K773 WeakPolarHBondContact O-CB 3.29Å; K769-K773 PolarHBondContact O-N 3.47Å; Q770-K773 CarbonylContact O-C 3.53Å; Q770-K773 WeakPolarHBondContact O-CB 3.45Å; Q770-K773 PolarHBondContact O-N 3Å; Q770-K773 VanDerWaalsContact O-N 3.13Å; K771-K773 PolarHBondContact O-N 2.84Å; K771-K773 VanDerWaalsContact O-N 3.1Å; K773-K777 WeakPolarHBondContact O-CB 3.28Å
774	V	74.6	Confident	66.7	Low	90 Å²	90	116.1 Å²	116.1	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-82.6	-45.7	168.1	170.8	0	0	0	0	109.8	Q770 K771 K777 L778	Q770-V774 WeakPolarHBondContact O-CG2 3.48Å; Q770-V774 PolarHBondContact O-N 3.14Å; K771-V774 WeakPolarHBondContact O-CA 3.43Å; K771-V774 WeakPolarHBondContact O-CB 3.29Å; K771-V774 PolarHBondContact O-N 3.36Å; V774-K777 WeakPolarHBondContact O-CA 3.46Å; V774-K777 VanDerWaalsContact O-CB 3.3Å; V774-K777 WeakPolarHBondContact O-CB 3.48Å; V774-K777 PolarHBondContact O-N 3.43Å; V774-L778 PolarHBondContact O-N 3.21Å
775	D	69.4	Low	66.6	Low	78 Å²	78	115.1 Å²	115.1	42%	0.417	60%	0.6	S	S	.	*	H	α-helix	trans	-61.4	-50.7	-177.9	-59	-30.8	0	0	0	111.4	K771 K777 L778 E779	K771-D775 WeakPolarHBondContact CG-OD2 3.43Å; K771-D775 VanDerWaalsContact O-CG 3.27Å; K771-D775 PolarHBondContact O-N 3.11Å; D775-K777 PolarHBondContact O-N 3.39Å; D775-K777 VanDerWaalsContact O-N 3.11Å; D775-L778 WeakPolarHBondContact O-CA 3.49Å; D775-L778 VanDerWaalsContact O-CB 3.3Å; D775-L778 WeakPolarHBondContact O-CB 3.43Å; D775-L778 PolarHBondContact O-N 3.06Å; D775-E779 PolarHBondContact O-N 3.2Å
776	L	68.2	Low	66.2	Low	113 Å²	113	118 Å²	118	59%	0.592	61%	0.605	S	S	*	*	H	α-helix	trans	-55.9	-29.6	172.8	-74.4	168.6	0	0	0	113.1	Q772 S780	Q772-L776 WeakPolarHBondContact O-CB 3.47Å; Q772-L776 WeakPolarHBondContact O-CD1 3.3Å; Q772-L776 VanDerWaalsContact O-CG 3.26Å; Q772-L776 WeakPolarHBondContact O-CG 3.3Å; Q772-L776 PolarHBondContact O-N 3.48Å; L776-S780 WeakPolarHBondContact O-CB 3.14Å; L776-S780 PolarHBondContact O-N 3.46Å; L776-S780 VanDerWaalsContact O-N 3.08Å; L776-S780 PolarHBondContact O-OG 2.76Å
777	K	63.3	Low	65.9	Low	146 Å²	146	120.6 Å²	120.6	64%	0.635	61%	0.614	S	S	*	*	H	α-helix	trans	-79	-32.4	179.1	-156	177.1	-175	-171.8	0	112.1	K773 V774 D775 S780 S781	K773-K777 WeakPolarHBondContact O-CB 3.28Å; V774-K777 WeakPolarHBondContact O-CA 3.46Å; V774-K777 VanDerWaalsContact O-CB 3.3Å; V774-K777 WeakPolarHBondContact O-CB 3.48Å; V774-K777 PolarHBondContact O-N 3.43Å; D775-K777 PolarHBondContact O-N 3.39Å; D775-K777 VanDerWaalsContact O-N 3.11Å; K777-S780 WeakPolarHBondContact CA-OG 3.47Å; K777-S780 PolarHBondContact O-OG 2.96Å; K777-S781 PolarHBondContact O-N 3.47Å; K777-S781 PolarHBondContact O-OG 2.86Å
778	L	63.3	Low	65.5	Low	118 Å²	118	120.6 Å²	120.6	62%	0.618	62%	0.615	S	S	*	*	H	α-helix	trans	-66.5	-46.5	171.7	-145.3	73.9	0	0	0	111	V774 D775 S780 S781 T782	V774-L778 PolarHBondContact O-N 3.21Å; D775-L778 WeakPolarHBondContact O-CA 3.49Å; D775-L778 VanDerWaalsContact O-CB 3.3Å; D775-L778 WeakPolarHBondContact O-CB 3.43Å; D775-L778 PolarHBondContact O-N 3.06Å; L778-S780 PolarHBondContact O-N 2.91Å; L778-S781 PolarHBondContact O-N 2.71Å; L778-S781 VanDerWaalsContact O-N 3.09Å; L778-T782 PolarHBondContact O-OG1 3.27Å
779	E	57.2	Low	65	Low	129 Å²	129	123.1 Å²	123.1	60%	0.603	63%	0.63	S	S	*	*	H	α-helix	trans	-59.2	-46.6	173.6	-67.2	-176.3	145.7	0	0	111.3	D775 S781 T782	D775-E779 PolarHBondContact O-N 3.2Å; E779-S781 PolarHBondContact O-N 3.07Å; E779-T782 PolarHBondContact O-N 3.49Å
780	S	58.7	Low	64	Low	84 Å²	84	120.9 Å²	120.9	59%	0.587	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-6.5	176.7	74.7	0	0	0	0	115.4	L776 K777 L778	L776-S780 WeakPolarHBondContact O-CB 3.14Å; L776-S780 PolarHBondContact O-N 3.46Å; L776-S780 VanDerWaalsContact O-N 3.08Å; L776-S780 PolarHBondContact O-OG 2.76Å; K777-S780 WeakPolarHBondContact CA-OG 3.47Å; K777-S780 PolarHBondContact O-OG 2.96Å; L778-S780 PolarHBondContact O-N 2.91Å
781	S	52.4	Low	63.5	Low	93 Å²	93	120.6 Å²	120.6	65%	0.65	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	5	176.7	-54.7	0	0	0	0	113.1	K777 L778 E779	K777-S781 PolarHBondContact O-N 3.47Å; K777-S781 PolarHBondContact O-OG 2.86Å; L778-S781 PolarHBondContact O-N 2.71Å; L778-S781 VanDerWaalsContact O-N 3.09Å; E779-S781 PolarHBondContact O-N 3.07Å
782	T	51.3	Low	62.5	Low	116 Å²	116	121.5 Å²	121.5	71%	0.712	64%	0.644	S	S	*	*			trans	-128.2	21.4	-171.9	-39.2	0	0	0	0	112.4	L778 E779	L778-T782 PolarHBondContact O-OG1 3.27Å; E779-T782 PolarHBondContact O-N 3.49Å
783	L	43.4	Very low	61.4	Low	227 Å²	227	123 Å²	123	100%	1.188	66%	0.658	S	S	*	*			trans	-129.4	0	176.4	-78.2	170.1	0	0	0	110.6

Retrieved 783 of 783 residues in 619.4 ms (Link to these results)

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