A0A077ZHZ0_TRITR Loading...

Hydrolase 3 and DUF72 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 524 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	86.8	Confident	92	Very high	125 Å²	125	40.8 Å²	40.8	62%	0.616	20%	0.203	S	C	*	.				0	135.3	0	-178.6	179.1	-72.4	0	0	109	R3 K236 E237 V238	M1-R3 HydrophobicContact CG-CG 4.48Å; M1-R3 PolarHBondContact SD-NH2 3.03Å; M1-K236 PolarHBondContact N-O 3.47Å; M1-E237 CarbonylContact O-C 3.46Å; M1-E237 WeakPolarHBondContact O-CA 3.36Å; M1-V238 PolarHBondContact O-N 3.01Å
2	I	92.8	Very high	91.2	Very high	39 Å²	39	37.8 Å²	37.8	20%	0.2	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.5	177.6	-59.2	159.2	0	0	0	108.9	I4 I228 A232 V238 V240 L261	I2-I4 HydrophobicContact CG2-CG1 4.35Å; I2-I228 HydrophobicContact CD1-CG2 3.8Å; I2-I228 HydrophobicContact CG1-CG2 4.1Å; I2-I228 HydrophobicContact CG2-CG2 3.92Å; I2-A232 HydrophobicContact CD1-CB 3.92Å; I2-A232 HydrophobicContact CG1-CB 3.91Å; I2-V238 CarbonylContact C-O 3.6Å; I2-V238 WeakPolarHBondContact CA-O 3.41Å; I2-V238 HydrophobicContact CG1-CB 4.16Å; I2-V240 HydrophobicContact CG2-CG2 4.21Å; I2-L261 HydrophobicContact CD1-CD1 4.44Å; I2-L261 HydrophobicContact CG2-CD1 4.05Å
3	R	94.2	Very high	90.3	Very high	9 Å²	9	40.3 Å²	40.3	3%	0.034	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.2	174.2	-59.3	-170.3	-172.6	79.9	-4.7	109.7	M1 P31 L32 D58 E237 V238 G239 V240	M1-R3 HydrophobicContact CG-CG 4.48Å; M1-R3 PolarHBondContact SD-NH2 3.03Å; R3-P31 HydrophobicContact CB-CG 4.05Å; R3-P31 HydrophobicContact CG-CG 4.26Å; R3-L32 HydrophobicContact CB-CB 3.93Å; R3-L32 HydrophobicContact CB-CD2 4.21Å; R3-L32 WeakPolarHBondContact O-CD2 3.45Å; R3-D58 PolarHBondContact NE-O 3.32Å; R3-E237 IonicContact CZ-OE1 3.86Å; R3-E237 IonicContact CZ-OE2 3.34Å; R3-E237 IonicContact NH1-OE1 2.69Å; R3-E237 PolarHBondContact NH1-OE1 2.8Å; R3-E237 VanDerWaalsContact NH1-OE1 3.16Å; R3-E237 IonicContact NH1-OE2 3.61Å; R3-E237 PolarHBondContact NH1-OE2 3.14Å; R3-E237 IonicContact NH2-OE1 3.03Å; R3-E237 PolarHBondContact NH2-OE1 2.79Å; R3-E237 IonicContact NH2-OE2 3.86Å; R3-V238 PolarHBondContact N-O 3.18Å; R3-G239 CarbonylContact O-C 3.51Å; R3-G239 WeakPolarHBondContact O-CA 3.47Å; R3-V240 PolarHBondContact O-N 2.91Å
4	I	96	Very high	89.8	Confident	9 Å²	9	41.8 Å²	41.8	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.4	-179.4	-54.5	171.7	0	0	0	108.2	I2 L30 P31 V240 F242 A254 L257 K258 L261	I2-I4 HydrophobicContact CG2-CG1 4.35Å; I4-L30 HydrophobicContact CB-CD2 4.49Å; I4-L30 HydrophobicContact CG2-CD2 4.46Å; I4-P31 WeakPolarHBondContact O-CD 3.49Å; I4-V240 CarbonylContact C-O 3.6Å; I4-V240 WeakPolarHBondContact CA-O 3.33Å; I4-V240 HydrophobicContact CG1-CB 4.27Å; I4-F242 HydrophobicContact CG2-CD2 4.1Å; I4-F242 HydrophobicContact CG2-CE2 3.95Å; I4-A254 HydrophobicContact CG2-CB 3.81Å; I4-L257 HydrophobicContact CD1-CB 4.41Å; I4-L257 HydrophobicContact CD1-CD2 4.32Å; I4-L257 HydrophobicContact CD1-CG 4.16Å; I4-K258 VanDerWaalsContact CD1-CA 3.4Å; I4-K258 HydrophobicContact CD1-CB 3.77Å; I4-K258 HydrophobicContact CD1-CG 4.38Å; I4-L261 HydrophobicContact CD1-CD1 3.98Å
5	G	96.8	Very high	89.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-179.9	-176.5	0	0	0	0	0	112.8	Y26 L32 V240 I241 F242	G5-Y26 WeakPolarHBondContact CA-OH 3.44Å; G5-L32 WeakPolarHBondContact CA-O 3.46Å; G5-V240 PolarHBondContact N-O 3.29Å; G5-I241 WeakPolarHBondContact O-CA 3.28Å; G5-F242 PolarHBondContact O-N 2.61Å
6	L	96.8	Very high	88.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	164.3	-178.6	-51.1	-179.2	0	0	0	109.5	S8 H12 L15 Y26 L30 V33 E34 F242 A250 A251 A254	L6-S8 PolarHBondContact O-N 2.9Å; L6-H12 HydrophobicContact CD1-CB 4.26Å; L6-H12 WeakPolarHBondContact CD1-CD2 3.5Å; L6-H12 VanDerWaalsContact CD1-CG 3.44Å; L6-H12 WeakPolarHBondContact CD1-NE2 3.39Å; L6-L15 HydrophobicContact CD1-CD1 4.13Å; L6-Y26 HydrophobicContact CB-CE2 4.29Å; L6-Y26 HydrophobicContact CD1-CE2 3.94Å; L6-Y26 HydrophobicContact CG-CE2 4.14Å; L6-Y26 PolarHBondContact N-OH 3.06Å; L6-L30 HydrophobicContact CD1-CD1 3.88Å; L6-L30 HydrophobicContact CD2-CD1 4.19Å; L6-L30 HydrophobicContact CG-CD1 3.68Å; L6-V33 WeakPolarHBondContact O-CG2 3.31Å; L6-E34 PolarHBondContact O-N 2.97Å; L6-F242 HydrophobicContact CD2-CB 3.76Å; L6-A250 HydrophobicContact CD2-CB 3.98Å; L6-A250 WeakPolarHBondContact CD2-O 3.43Å; L6-A251 HydrophobicContact CD1-CB 3.92Å; L6-A254 HydrophobicContact CD2-CB 3.64Å
7	T	94.5	Very high	87.6	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.055	25%	0.245	C	C	.	.	S	Bend	trans	-77.8	0.7	176.3	61.9	0	0	0	0	115.2	E34 I241 F242 N243 N245	T7-E34 CarbonylContact C-O 3.38Å; T7-E34 VanDerWaalsContact C-O 3.28Å; T7-E34 HydrophobicContact CG2-CB 4.46Å; T7-E34 HydrophobicContact CG2-CG 4.44Å; T7-I241 HydrophobicContact CG2-CG2 3.44Å; T7-I241 VanDerWaalsContact CG2-CG2 3.44Å; T7-F242 PolarHBondContact N-O 2.8Å; T7-N243 HydrophobicContact CG2-CB 3.53Å; T7-N243 VanDerWaalsContact CG2-CG 3.42Å; T7-N243 PolarHBondContact OG1-OD1 3.3Å; T7-N245 PolarHBondContact OG1-ND2 3.42Å
8	S	91.7	Very high	87.2	Confident	20 Å²	20	44.8 Å²	44.8	14%	0.14	26%	0.257	C	S	.	.			trans	-152.2	163.6	172.2	84.6	0	0	0	0	109.4	L6 N10 H12	L6-S8 PolarHBondContact O-N 2.9Å; S8-N10 WeakPolarHBondContact CB-OD1 3.47Å; S8-N10 PolarHBondContact OG-OD1 3.07Å; S8-H12 PolarHBondContact O-CD2 3.14Å; S8-H12 PolarHBondContact O-NE2 2.73Å; S8-H12 PolarHBondContact OG-NE2 3.45Å
9	F	90.1	Very high	87	Confident	43 Å²	43	52.7 Å²	52.7	19%	0.189	29%	0.288	C	S	.	.	S	Bend	trans	-108.1	-14.2	171.6	54.5	-98.1	0	0	0	112.9	S21 L23 Y26 V33 L35	F9-S21 WeakPolarHBondContact O-CB 3.43Å; F9-L23 HydrophobicContact CB-CD1 4.15Å; F9-L23 HydrophobicContact CD1-CB 4.48Å; F9-L23 HydrophobicContact CD1-CD1 3.93Å; F9-L23 HydrophobicContact CD2-CB 4.04Å; F9-L23 HydrophobicContact CE2-CB 4.15Å; F9-L23 HydrophobicContact CG-CB 4.22Å; F9-L23 HydrophobicContact CG-CD1 4.01Å; F9-L23 HydrophobicContact CZ-CB 4.41Å; F9-Y26 HydrophobicContact CB-CD1 4.01Å; F9-Y26 HydrophobicContact CB-CD2 3.73Å; F9-Y26 HydrophobicContact CB-CE2 4.35Å; F9-Y26 HydrophobicContact CB-CG 3.51Å; F9-V33 HydrophobicContact CB-CG2 4.2Å; F9-V33 HydrophobicContact CD1-CG2 4.25Å; F9-L35 HydrophobicContact CD1-CD2 4.19Å; F9-L35 HydrophobicContact CE1-CD2 3.96Å
10	N	88.4	Confident	87	Confident	59 Å²	59	54.9 Å²	54.9	32%	0.316	30%	0.303	S	S	.	.	S	Bend	trans	-92.1	-35.1	-168.4	61	-16	0	0	0	113.8	S8 H12 T20 S21	S8-N10 WeakPolarHBondContact CB-OD1 3.47Å; S8-N10 PolarHBondContact OG-OD1 3.07Å; N10-H12 PolarHBondContact O-N 2.99Å; N10-T20 VanDerWaalsContact O-CA 3.28Å; N10-T20 WeakPolarHBondContact O-CA 3.38Å; N10-S21 WeakPolarHBondContact CA-O 3.38Å; N10-S21 PolarHBondContact O-N 3.38Å
11	E	83.6	Confident	86.9	Confident	136 Å²	136	52.7 Å²	52.7	64%	0.636	29%	0.292	S	S	*	.	S	Bend	trans	-96	34.6	-167.7	-70.7	173.5	-166.8	0	0	114.1
12	H	82.3	Confident	87.1	Confident	5 Å²	5	48.8 Å²	48.8	2%	0.023	28%	0.277	C	S	.	.			trans	-123.5	70.4	-172	-59.2	-51.6	0	0	0	112.8	L6 S8 N10 S14 L15 N245 A251	L6-H12 HydrophobicContact CD1-CB 4.26Å; L6-H12 WeakPolarHBondContact CD1-CD2 3.5Å; L6-H12 VanDerWaalsContact CD1-CG 3.44Å; L6-H12 WeakPolarHBondContact CD1-NE2 3.39Å; S8-H12 PolarHBondContact O-CD2 3.14Å; S8-H12 PolarHBondContact O-NE2 2.73Å; S8-H12 PolarHBondContact OG-NE2 3.45Å; N10-H12 PolarHBondContact O-N 2.99Å; H12-S14 PolarHBondContact O-N 3.08Å; H12-L15 HydrophobicContact CB-CD1 3.88Å; H12-L15 HydrophobicContact CB-CG 4.15Å; H12-L15 PolarHBondContact O-N 3.16Å; H12-L15 VanDerWaalsContact O-N 3.14Å; H12-N245 PolarHBondContact CE1-OD1 2.93Å; H12-N245 VanDerWaalsContact CE1-OD1 3.24Å; H12-A251 HydrophobicContact CB-CB 4.1Å
13	S	80.3	Confident	87.1	Confident	70 Å²	70	47 Å²	47	49%	0.49	27%	0.267	S	S	.	.	H	α-helix	trans	-64.6	-25	-176.1	60.2	0	0	0	0	114.2	L15 G17 K18	S13-L15 PolarHBondContact O-N 3.43Å; S13-G17 WeakPolarHBondContact O-CA 3.05Å; S13-G17 PolarHBondContact O-N 2.85Å; S13-K18 WeakPolarHBondContact CA-O 3.42Å; S13-K18 WeakPolarHBondContact CB-O 3.45Å
14	S	83.5	Confident	86.9	Confident	61 Å²	61	54.3 Å²	54.3	43%	0.427	30%	0.296	S	S	.	.	H	α-helix	trans	-70.5	-19.6	176.5	66.1	0	0	0	0	113.5	H12 A251 D252	H12-S14 PolarHBondContact O-N 3.08Å; S14-A251 WeakPolarHBondContact OG-CB 3.4Å; S14-D252 WeakPolarHBondContact CB-OD1 3.16Å; S14-D252 PolarHBondContact OG-OD1 3.18Å
15	L	78.6	Confident	86.5	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-77.5	-50.3	174.7	-64.1	179.1	0	0	0	111.6	L6 H12 S13 Y26 Y29 L30 A251 M255	L6-L15 HydrophobicContact CD1-CD1 4.13Å; H12-L15 HydrophobicContact CB-CD1 3.88Å; H12-L15 HydrophobicContact CB-CG 4.15Å; H12-L15 PolarHBondContact O-N 3.16Å; H12-L15 VanDerWaalsContact O-N 3.14Å; S13-L15 PolarHBondContact O-N 3.43Å; L15-Y26 HydrophobicContact CD1-CD2 4.11Å; L15-Y26 HydrophobicContact CD1-CE2 4.17Å; L15-Y29 HydrophobicContact CB-CD2 4.33Å; L15-Y29 HydrophobicContact CB-CG 4.31Å; L15-Y29 HydrophobicContact CD2-CG 4.47Å; L15-Y29 VanDerWaalsContact O-CE1 3.25Å; L15-Y29 WeakPolarHBondContact O-CE1 3.4Å; L15-Y29 PolarHBondContact O-OH 3.46Å; L15-Y29 VanDerWaalsContact O-OH 3.09Å; L15-L30 HydrophobicContact CD1-CD1 4.21Å; L15-A251 HydrophobicContact CD1-CB 4.17Å; L15-A251 HydrophobicContact CD2-CB 3.97Å; L15-A251 HydrophobicContact CG-CB 3.74Å; L15-M255 HydrophobicContact CD2-CG 3.68Å; L15-M255 HydrophobicContact CD2-SD 4.13Å
16	T	74.6	Confident	86.1	Confident	29 Å²	29	56.3 Å²	56.3	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-107.6	-10.9	-167.7	63.2	0	0	0	0	114.2	K18 S21 E25 Y29	T16-K18 PolarHBondContact O-N 3.28Å; T16-K18 PolarHBondContact OG1-N 3.13Å; T16-S21 WeakPolarHBondContact CB-OG 3.5Å; T16-S21 WeakPolarHBondContact CG2-OG 3.1Å; T16-S21 PolarHBondContact OG1-OG 3.06Å; T16-E25 HydrophobicContact CG2-CB 4.02Å; T16-Y29 HydrophobicContact CG2-CE2 3.96Å
17	G	78.5	Confident	85.7	Confident	71 Å²	71	57 Å²	57	73%	0.732	31%	0.311	S	S	*	.	S	Bend	trans	72.2	-1.2	-168.7	0	0	0	0	0	114.3	S13	S13-G17 WeakPolarHBondContact O-CA 3.05Å; S13-G17 PolarHBondContact O-N 2.85Å
18	K	79.3	Confident	84.9	Confident	107 Å²	107	59.6 Å²	59.6	47%	0.465	34%	0.34	S	S	.	.	S	Bend	trans	-98.3	149.5	-179.1	-62.7	-177.5	178.1	-178	0	110.9	S13 T16 T20 E25	S13-K18 WeakPolarHBondContact CA-O 3.42Å; S13-K18 WeakPolarHBondContact CB-O 3.45Å; T16-K18 PolarHBondContact O-N 3.28Å; T16-K18 PolarHBondContact OG1-N 3.13Å; K18-T20 WeakPolarHBondContact CB-O 3.47Å; K18-T20 PolarHBondContact O-N 3.37Å; K18-E25 WeakPolarHBondContact CE-OE1 3.18Å; K18-E25 IonicContact NZ-OE1 3.32Å; K18-E25 PolarHBondContact NZ-OE1 2.91Å
19	K	83.4	Confident	84.5	Confident	194 Å²	194	63 Å²	63	84%	0.843	35%	0.35	S	S	*	.	S	Bend	trans	-60.6	-35	173.6	-173.1	178.3	179.3	-178.3	0	112.2
20	T	87.3	Confident	84.6	Confident	97 Å²	97	61 Å²	61	60%	0.595	34%	0.341	S	S	*	.	S	Bend	trans	-135.2	135.2	176.1	54.9	0	0	0	0	109.7	N10 K18	N10-T20 VanDerWaalsContact O-CA 3.28Å; N10-T20 WeakPolarHBondContact O-CA 3.38Å; K18-T20 WeakPolarHBondContact CB-O 3.47Å; K18-T20 PolarHBondContact O-N 3.37Å
21	S	85.3	Confident	84.7	Confident	9 Å²	9	59.7 Å²	59.7	6%	0.063	34%	0.336	C	S	.	.			trans	-108.1	144.8	177.1	-51.7	0	0	0	0	111.2	F9 N10 T16	F9-S21 WeakPolarHBondContact O-CB 3.43Å; N10-S21 WeakPolarHBondContact CA-O 3.38Å; N10-S21 PolarHBondContact O-N 3.38Å; T16-S21 WeakPolarHBondContact CB-OG 3.5Å; T16-S21 WeakPolarHBondContact CG2-OG 3.1Å; T16-S21 PolarHBondContact OG1-OG 3.06Å
22	S	91.2	Very high	85.4	Confident	43 Å²	43	53.2 Å²	53.2	30%	0.301	31%	0.306	S	S	.	.			trans	-74.9	162.9	165.2	62.5	0	0	0	0	111.1	Y24 E25 Y26	S22-Y24 VanDerWaalsContact C-N 3.27Å; S22-Y24 PolarHBondContact O-N 3.46Å; S22-E25 WeakPolarHBondContact CB-OE2 3.45Å; S22-E25 PolarHBondContact N-OE2 3.46Å; S22-E25 PolarHBondContact O-N 2.91Å; S22-E25 VanDerWaalsContact OG-CD 3.26Å; S22-E25 VanDerWaalsContact OG-CG 3.24Å; S22-E25 WeakPolarHBondContact OG-CG 3.28Å; S22-E25 PolarHBondContact OG-N 3.14Å; S22-E25 PolarHBondContact OG-OE2 3.29Å; S22-Y26 PolarHBondContact O-N 3.4Å
23	L	93.3	Very high	86.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-36.5	174.3	178.1	60.9	0	0	0	111.5	F9 Y26 A27 V33 W51 Q54 V55 F59 F61	F9-L23 HydrophobicContact CB-CD1 4.15Å; F9-L23 HydrophobicContact CD1-CB 4.48Å; F9-L23 HydrophobicContact CD1-CD1 3.93Å; F9-L23 HydrophobicContact CD2-CB 4.04Å; F9-L23 HydrophobicContact CE2-CB 4.15Å; F9-L23 HydrophobicContact CG-CB 4.22Å; F9-L23 HydrophobicContact CG-CD1 4.01Å; F9-L23 HydrophobicContact CZ-CB 4.41Å; L23-Y26 HydrophobicContact CD1-CD1 4.39Å; L23-Y26 PolarHBondContact O-N 3.27Å; L23-A27 VanDerWaalsContact O-CB 3.29Å; L23-A27 WeakPolarHBondContact O-CB 3.48Å; L23-A27 PolarHBondContact O-N 3.03Å; L23-V33 HydrophobicContact CD1-CG1 4.28Å; L23-W51 HydrophobicContact CD2-CB 3.66Å; L23-W51 HydrophobicContact CD2-CG 3.94Å; L23-Q54 HydrophobicContact CB-CB 4.35Å; L23-Q54 HydrophobicContact CD2-CB 4.28Å; L23-Q54 HydrophobicContact CG-CB 4.32Å; L23-V55 HydrophobicContact CD1-CG1 3.99Å; L23-V55 HydrophobicContact CD2-CG1 3.75Å; L23-V55 HydrophobicContact CG-CG1 3.63Å; L23-F59 HydrophobicContact CD1-CE1 4.42Å; L23-F59 HydrophobicContact CD1-CZ 4.08Å; L23-F61 HydrophobicContact CD1-CE1 4.37Å; L23-F61 HydrophobicContact CD2-CE1 3.96Å; L23-F61 HydrophobicContact CD2-CZ 4.11Å
24	Y	90.4	Very high	87	Confident	163 Å²	163	49.6 Å²	49.6	64%	0.639	28%	0.281	S	S	*	.	H	α-helix	trans	-59.1	-46.3	174.6	175.5	-97.1	0	0	0	112.5	S22 A27 G28 Q54	S22-Y24 VanDerWaalsContact C-N 3.27Å; S22-Y24 PolarHBondContact O-N 3.46Å; Y24-A27 PolarHBondContact O-N 2.91Å; Y24-G28 PolarHBondContact O-N 3.44Å; Y24-Q54 VanDerWaalsContact CA-O 3.3Å; Y24-Q54 WeakPolarHBondContact CA-O 3.48Å
25	E	85.8	Confident	87.6	Confident	49 Å²	49	46.9 Å²	46.9	23%	0.229	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-43.4	177.7	-69.5	162.9	136.9	0	0	111.4	T16 K18 S22 A27 G28 Y29	T16-E25 HydrophobicContact CG2-CB 4.02Å; K18-E25 WeakPolarHBondContact CE-OE1 3.18Å; K18-E25 IonicContact NZ-OE1 3.32Å; K18-E25 PolarHBondContact NZ-OE1 2.91Å; S22-E25 WeakPolarHBondContact CB-OE2 3.45Å; S22-E25 PolarHBondContact N-OE2 3.46Å; S22-E25 PolarHBondContact O-N 2.91Å; S22-E25 VanDerWaalsContact OG-CD 3.26Å; S22-E25 VanDerWaalsContact OG-CG 3.24Å; S22-E25 WeakPolarHBondContact OG-CG 3.28Å; S22-E25 PolarHBondContact OG-N 3.14Å; S22-E25 PolarHBondContact OG-OE2 3.29Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.84Å; E25-G28 PolarHBondContact O-N 2.92Å; E25-Y29 WeakPolarHBondContact O-CD2 3.2Å; E25-Y29 WeakPolarHBondContact O-CE2 3.29Å
26	Y	89.5	Confident	88.3	Confident	1 Å²	1	47.9 Å²	47.9	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-44.5	176	176.2	-87.9	0	0	0	112.4	G5 L6 F9 L15 S22 L23 G28 Y29 L30 L32 V33 F59	G5-Y26 WeakPolarHBondContact CA-OH 3.44Å; L6-Y26 HydrophobicContact CB-CE2 4.29Å; L6-Y26 HydrophobicContact CD1-CE2 3.94Å; L6-Y26 HydrophobicContact CG-CE2 4.14Å; L6-Y26 PolarHBondContact N-OH 3.06Å; F9-Y26 HydrophobicContact CB-CD1 4.01Å; F9-Y26 HydrophobicContact CB-CD2 3.73Å; F9-Y26 HydrophobicContact CB-CE2 4.35Å; F9-Y26 HydrophobicContact CB-CG 3.51Å; L15-Y26 HydrophobicContact CD1-CD2 4.11Å; L15-Y26 HydrophobicContact CD1-CE2 4.17Å; S22-Y26 PolarHBondContact O-N 3.4Å; L23-Y26 HydrophobicContact CD1-CD1 4.39Å; L23-Y26 PolarHBondContact O-N 3.27Å; Y26-G28 PolarHBondContact O-N 3.41Å; Y26-G28 VanDerWaalsContact O-N 3.13Å; Y26-Y29 PolarHBondContact O-N 3.4Å; Y26-L30 HydrophobicContact CE1-CB 3.96Å; Y26-L30 HydrophobicContact CE2-CB 4.48Å; Y26-L30 HydrophobicContact CE2-CD1 4.02Å; Y26-L30 PolarHBondContact O-N 3.41Å; Y26-L30 WeakPolarHBondContact OH-CD1 3.23Å; Y26-L32 WeakPolarHBondContact CE1-O 3.45Å; Y26-L32 PolarHBondContact OH-O 3.44Å; Y26-V33 HydrophobicContact CD1-CB 4.48Å; Y26-V33 HydrophobicContact CE1-CB 3.77Å; Y26-V33 HydrophobicContact CE1-CG2 4.11Å; Y26-F59 AromaticContact CD1-CE2 3.95Å; Y26-F59 HydrophobicContact CD1-CE2 3.95Å; Y26-F59 AromaticContact CD1-CZ 3.97Å; Y26-F59 HydrophobicContact CD1-CZ 3.97Å; Y26-F59 AromaticContact CE1-CE2 3.96Å; Y26-F59 HydrophobicContact CE1-CE2 3.96Å; Y26-F59 AromaticContact CE1-CZ 3.88Å; Y26-F59 HydrophobicContact CE1-CZ 3.88Å
27	A	87.5	Confident	89.1	Confident	15 Å²	15	49.9 Å²	49.9	12%	0.124	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-15.9	-178.7	0	0	0	0	0	113.6	L23 Y24 E25 Y29 V55 F59	L23-A27 VanDerWaalsContact O-CB 3.29Å; L23-A27 WeakPolarHBondContact O-CB 3.48Å; L23-A27 PolarHBondContact O-N 3.03Å; Y24-A27 PolarHBondContact O-N 2.91Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.84Å; A27-Y29 PolarHBondContact O-N 3.22Å; A27-V55 HydrophobicContact CB-CB 4.38Å; A27-V55 HydrophobicContact CB-CG1 4.03Å; A27-F59 HydrophobicContact CB-CD2 3.7Å; A27-F59 HydrophobicContact CB-CE2 3.68Å
28	G	78.9	Confident	89.6	Confident	64 Å²	64	46.5 Å²	46.5	66%	0.66	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-15.2	169.2	0	0	0	0	0	114.5	Y24 E25 Y26	Y24-G28 PolarHBondContact O-N 3.44Å; E25-G28 PolarHBondContact O-N 2.92Å; Y26-G28 PolarHBondContact O-N 3.41Å; Y26-G28 VanDerWaalsContact O-N 3.13Å
29	Y	83.4	Confident	90.2	Very high	91 Å²	91	43.2 Å²	43.2	36%	0.357	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-43.2	-174.7	-62.2	-91.3	0	0	0	113.3	L15 T16 E25 Y26 A27 K258	L15-Y29 HydrophobicContact CB-CD2 4.33Å; L15-Y29 HydrophobicContact CB-CG 4.31Å; L15-Y29 HydrophobicContact CD2-CG 4.47Å; L15-Y29 VanDerWaalsContact O-CE1 3.25Å; L15-Y29 WeakPolarHBondContact O-CE1 3.4Å; L15-Y29 PolarHBondContact O-OH 3.46Å; L15-Y29 VanDerWaalsContact O-OH 3.09Å; T16-Y29 HydrophobicContact CG2-CE2 3.96Å; E25-Y29 WeakPolarHBondContact O-CD2 3.2Å; E25-Y29 WeakPolarHBondContact O-CE2 3.29Å; Y26-Y29 PolarHBondContact O-N 3.4Å; A27-Y29 PolarHBondContact O-N 3.22Å; Y29-K258 PolarHBondContact O-NZ 3.25Å
30	L	90.5	Very high	90.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.			trans	-128.9	135.6	-173	-67.6	174.9	0	0	0	110.4	I4 L6 L15 Y26 L32 F59 A254 M255 K258	I4-L30 HydrophobicContact CB-CD2 4.49Å; I4-L30 HydrophobicContact CG2-CD2 4.46Å; L6-L30 HydrophobicContact CD1-CD1 3.88Å; L6-L30 HydrophobicContact CD2-CD1 4.19Å; L6-L30 HydrophobicContact CG-CD1 3.68Å; L15-L30 HydrophobicContact CD1-CD1 4.21Å; Y26-L30 HydrophobicContact CE1-CB 3.96Å; Y26-L30 HydrophobicContact CE2-CB 4.48Å; Y26-L30 HydrophobicContact CE2-CD1 4.02Å; Y26-L30 PolarHBondContact O-N 3.41Å; Y26-L30 WeakPolarHBondContact OH-CD1 3.23Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 3.41Å; L30-F59 WeakPolarHBondContact O-CD2 3.45Å; L30-F59 WeakPolarHBondContact O-CE2 3.39Å; L30-A254 HydrophobicContact CD1-CB 4.21Å; L30-A254 HydrophobicContact CD2-CB 4.39Å; L30-M255 HydrophobicContact CD2-SD 4.08Å; L30-K258 HydrophobicContact CD2-CD 4.32Å
31	P	92.6	Very high	90.8	Very high	31 Å²	31	39.4 Å²	39.4	20%	0.201	21%	0.21	C	C	.	.	S	Bend	trans	-88	9.3	-174.8	35.2	-38.5	0	0	0	114.7	R3 I4 F59 R60	R3-P31 HydrophobicContact CB-CG 4.05Å; R3-P31 HydrophobicContact CG-CG 4.26Å; I4-P31 WeakPolarHBondContact O-CD 3.49Å; P31-F59 WeakPolarHBondContact O-CA 3.46Å; P31-R60 PolarHBondContact O-N 3.41Å
32	L	97.5	Very high	91.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.3	-175.4	-174.8	70.3	0	0	0	110	R3 G5 Y26 L30 R60 V62 F103 I241	R3-L32 HydrophobicContact CB-CB 3.93Å; R3-L32 HydrophobicContact CB-CD2 4.21Å; R3-L32 WeakPolarHBondContact O-CD2 3.45Å; G5-L32 WeakPolarHBondContact CA-O 3.46Å; Y26-L32 WeakPolarHBondContact CE1-O 3.45Å; Y26-L32 PolarHBondContact OH-O 3.44Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L30-L32 PolarHBondContact O-N 3.41Å; L32-R60 WeakPolarHBondContact CA-O 3.41Å; L32-R60 HydrophobicContact CD1-CB 3.86Å; L32-R60 WeakPolarHBondContact CD1-O 3.46Å; L32-V62 HydrophobicContact CD1-CG2 4.04Å; L32-V62 HydrophobicContact CD2-CG2 4.42Å; L32-V62 HydrophobicContact CG-CG2 4.42Å; L32-F103 HydrophobicContact CD1-CB 3.87Å; L32-F103 HydrophobicContact CD1-CD2 4.23Å; L32-F103 HydrophobicContact CD1-CG 4Å; L32-I241 HydrophobicContact CD2-CD1 3.61Å; L32-I241 HydrophobicContact CD2-CG1 4.34Å; L32-I241 HydrophobicContact CG-CD1 3.89Å
33	V	97.8	Very high	91.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.3	167.3	71.3	0	0	0	0	110.8	L6 F9 L23 Y26 L35 F59 R60 F61 V62	L6-V33 WeakPolarHBondContact O-CG2 3.31Å; F9-V33 HydrophobicContact CB-CG2 4.2Å; F9-V33 HydrophobicContact CD1-CG2 4.25Å; L23-V33 HydrophobicContact CD1-CG1 4.28Å; Y26-V33 HydrophobicContact CD1-CB 4.48Å; Y26-V33 HydrophobicContact CE1-CB 3.77Å; Y26-V33 HydrophobicContact CE1-CG2 4.11Å; V33-L35 HydrophobicContact CG1-CD2 3.97Å; V33-L35 HydrophobicContact CG1-CG 4.34Å; V33-F59 HydrophobicContact CB-CE1 4.38Å; V33-F59 HydrophobicContact CB-CZ 3.95Å; V33-F59 HydrophobicContact CG1-CE1 3.74Å; V33-F59 HydrophobicContact CG1-CZ 3.73Å; V33-R60 PolarHBondContact N-O 2.91Å; V33-F61 HydrophobicContact CG1-CD1 3.53Å; V33-F61 HydrophobicContact CG1-CE1 3.81Å; V33-F61 WeakPolarHBondContact O-CA 3.43Å; V33-V62 PolarHBondContact O-N 2.95Å
34	E	98.2	Very high	91.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.2	166.4	169.5	-177.1	149.1	0	0	109.9	L6 T7 V62 L106 R191 I241	L6-E34 PolarHBondContact O-N 2.97Å; T7-E34 CarbonylContact C-O 3.38Å; T7-E34 VanDerWaalsContact C-O 3.28Å; T7-E34 HydrophobicContact CG2-CB 4.46Å; T7-E34 HydrophobicContact CG2-CG 4.44Å; E34-V62 CarbonylContact C-O 3.52Å; E34-V62 VanDerWaalsContact CA-O 3.27Å; E34-V62 WeakPolarHBondContact CA-O 3.37Å; E34-V62 HydrophobicContact CB-CB 3.96Å; E34-V62 HydrophobicContact CB-CG1 4.22Å; E34-V62 HydrophobicContact CG-CB 4.39Å; E34-V62 HydrophobicContact CG-CG1 4.14Å; E34-L106 HydrophobicContact CG-CD2 4.46Å; E34-L106 WeakPolarHBondContact OE1-CD2 3.44Å; E34-R191 IonicContact OE1-CZ 2.65Å; E34-R191 IonicContact OE1-NE 3.54Å; E34-R191 IonicContact OE1-NH2 3.88Å; E34-R191 PolarHBondContact OE1-NH2 3.02Å; E34-R191 IonicContact OE2-CZ 2.92Å; E34-R191 IonicContact OE2-NE 3.74Å; E34-R191 PolarHBondContact OE2-NE 3.38Å; E34-R191 IonicContact OE2-NH2 3.24Å; E34-R191 PolarHBondContact OE2-NH2 2.84Å; E34-I241 HydrophobicContact CB-CD1 3.93Å; E34-I241 HydrophobicContact CB-CG1 4.18Å; E34-I241 HydrophobicContact CB-CG2 4.05Å; E34-I241 WeakPolarHBondContact OE2-CG2 3.19Å
35	L	96.4	Very high	91.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	101.8	178.7	-63.1	-177.4	0	0	0	110	F9 V33 T37 W51 F61 V62 V63 K64 M96	F9-L35 HydrophobicContact CD1-CD2 4.19Å; F9-L35 HydrophobicContact CE1-CD2 3.96Å; V33-L35 HydrophobicContact CG1-CD2 3.97Å; V33-L35 HydrophobicContact CG1-CG 4.34Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-W51 HydrophobicContact CD1-CD2 4.39Å; L35-W51 HydrophobicContact CD1-CE3 3.7Å; L35-W51 HydrophobicContact CD1-CH2 4.3Å; L35-W51 HydrophobicContact CD1-CZ3 3.66Å; L35-F61 HydrophobicContact CD1-CD1 3.62Å; L35-F61 HydrophobicContact CD1-CE1 4.22Å; L35-F61 HydrophobicContact CD1-CG 4.36Å; L35-F61 HydrophobicContact CD2-CD1 4.43Å; L35-F61 HydrophobicContact CG-CD1 3.99Å; L35-V62 PolarHBondContact N-O 3.48Å; L35-V63 HydrophobicContact CD1-CG2 4.45Å; L35-K64 WeakPolarHBondContact O-CB 3.35Å; L35-K64 PolarHBondContact O-N 2.94Å; L35-K64 VanDerWaalsContact O-N 3.12Å; L35-M96 HydrophobicContact CD1-CE 4.12Å
36	D	93.8	Very high	92.3	Very high	37 Å²	37	44.4 Å²	44.4	20%	0.198	23%	0.234	C	C	.	.			trans	-78.3	-11.4	174.6	-85	-32.9	0	0	0	113.2	N38 Y39 K64	D36-N38 VanDerWaalsContact C-N 3.26Å; D36-N38 PolarHBondContact O-N 2.77Å; D36-Y39 VanDerWaalsContact O-CB 3.23Å; D36-Y39 WeakPolarHBondContact O-CB 3.49Å; D36-Y39 PolarHBondContact O-N 2.98Å; D36-K64 WeakPolarHBondContact OD1-CD 3.33Å; D36-K64 IonicContact OD1-NZ 2.86Å; D36-K64 PolarHBondContact OD1-NZ 3.2Å
37	T	89.9	Confident	92.6	Very high	71 Å²	71	46.3 Å²	46.3	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-54.8	-42.8	-174	-45.1	0	0	0	0	112.3	L35 Y39 Y40	L35-T37 VanDerWaalsContact C-N 3.3Å; T37-Y39 PolarHBondContact O-N 3.27Å; T37-Y40 PolarHBondContact O-N 3.28Å
38	N	90.5	Very high	93.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-22.2	-178.3	-79.6	-61.2	0	0	0	113.7	D36 Y40 G41 T43 V63 K64 Y66 F89	D36-N38 VanDerWaalsContact C-N 3.26Å; D36-N38 PolarHBondContact O-N 2.77Å; N38-Y40 VanDerWaalsContact C-N 3.31Å; N38-Y40 PolarHBondContact O-N 3.29Å; N38-G41 VanDerWaalsContact CA-O 3.28Å; N38-G41 WeakPolarHBondContact CA-O 3.37Å; N38-G41 CarbonylContact O-C 3.59Å; N38-G41 PolarHBondContact O-N 2.71Å; N38-T43 WeakPolarHBondContact OD1-CG2 3.4Å; N38-T43 PolarHBondContact OD1-N 3.22Å; N38-V63 HydrophobicContact CB-CG1 4.31Å; N38-K64 WeakPolarHBondContact CB-O 3.38Å; N38-Y66 WeakPolarHBondContact O-CA 3.02Å; N38-Y66 WeakPolarHBondContact O-CB 3.44Å; N38-Y66 WeakPolarHBondContact O-CD2 3.28Å; N38-F89 HydrophobicContact CB-CE2 4.03Å
39	Y	91.9	Very high	94	Very high	38 Å²	38	47.1 Å²	47.1	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-38.1	179.3	175.6	-99	0	0	0	112.1	D36 T37 K64 L65 Y66 G67 Q72	D36-Y39 VanDerWaalsContact O-CB 3.23Å; D36-Y39 WeakPolarHBondContact O-CB 3.49Å; D36-Y39 PolarHBondContact O-N 2.98Å; T37-Y39 PolarHBondContact O-N 3.27Å; Y39-K64 HydrophobicContact CD2-CD 4.16Å; Y39-K64 HydrophobicContact CD2-CG 4.29Å; Y39-K64 HydrophobicContact CG-CD 4.2Å; Y39-L65 WeakPolarHBondContact CA-O 3.41Å; Y39-Y66 WeakPolarHBondContact O-CD2 3.41Å; Y39-G67 PolarHBondContact O-N 3.07Å; Y39-Q72 HydrophobicContact CE2-CB 4.43Å; Y39-Q72 WeakPolarHBondContact OH-CB 3.15Å; Y39-Q72 VanDerWaalsContact OH-CD 3.25Å; Y39-Q72 PolarHBondContact OH-NE2 3.12Å
40	Y	90.2	Very high	94.7	Very high	180 Å²	180	47 Å²	47	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-87.5	-19.5	-178.7	-58.1	-76.2	0	0	0	113.4	T37 N38	T37-Y40 PolarHBondContact O-N 3.28Å; N38-Y40 VanDerWaalsContact C-N 3.31Å; N38-Y40 PolarHBondContact O-N 3.29Å
41	G	91.7	Very high	95	Very high	30 Å²	30	48.1 Å²	48.1	31%	0.309	24%	0.241	S	C	.	.	S	Bend	trans	177.2	145	176.5	0	0	0	0	0	110.6	N38 T43	N38-G41 VanDerWaalsContact CA-O 3.28Å; N38-G41 WeakPolarHBondContact CA-O 3.37Å; N38-G41 CarbonylContact O-C 3.59Å; N38-G41 PolarHBondContact O-N 2.71Å; G41-T43 PolarHBondContact O-N 2.61Å
42	I	93.1	Very high	95.2	Very high	27 Å²	27	48 Å²	48	14%	0.138	24%	0.238	C	C	.	.			trans	-63.5	123.5	179.2	-53.5	-171.4	0	0	0	108.7	Y66 Y79 M85 F89 T92	I42-Y66 HydrophobicContact CG1-CD1 4.48Å; I42-Y66 HydrophobicContact CG1-CG 4.17Å; I42-Y79 WeakPolarHBondContact CD1-OH 3.28Å; I42-M85 HydrophobicContact CD1-CG 4.48Å; I42-F89 HydrophobicContact CD1-CB 3.87Å; I42-F89 HydrophobicContact CD1-CD2 3.95Å; I42-F89 HydrophobicContact CD1-CG 4.43Å; I42-F89 HydrophobicContact CG1-CD2 4.01Å; I42-F89 HydrophobicContact CG2-CD2 4.29Å; I42-T92 HydrophobicContact CG2-CG2 4.08Å
43	T	93.4	Very high	95.2	Very high	21 Å²	21	53.2 Å²	53.2	13%	0.129	27%	0.271	C	S	.	.			trans	-69.5	176.7	-177.3	-165.1	0	0	0	0	112	N38 G41 V48 W51 T92	N38-T43 WeakPolarHBondContact OD1-CG2 3.4Å; N38-T43 PolarHBondContact OD1-N 3.22Å; G41-T43 PolarHBondContact O-N 2.61Å; T43-V48 HydrophobicContact CG2-CG2 3.66Å; T43-W51 HydrophobicContact CG2-CH2 4.13Å; T43-W51 HydrophobicContact CG2-CZ3 4.09Å; T43-T92 HydrophobicContact CG2-CG2 3.67Å; T43-T92 WeakPolarHBondContact O-CG2 3.34Å
44	R	96.2	Very high	95.1	Very high	193 Å²	193	55.4 Å²	55.4	73%	0.728	28%	0.281	S	S	*	.			trans	-86.1	142.9	172.4	-62.1	-178.5	-177.6	-174.1	0.2	110.4	S46 S47 V48	R44-S46 PolarHBondContact O-N 3.38Å; R44-S47 WeakPolarHBondContact O-CA 3.46Å; R44-S47 VanDerWaalsContact O-CB 3.31Å; R44-S47 WeakPolarHBondContact O-CB 3.49Å; R44-S47 PolarHBondContact O-N 3.43Å; R44-V48 PolarHBondContact O-N 3.21Å
45	K	97.4	Very high	94.8	Very high	59 Å²	59	56.2 Å²	56.2	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-52.1	-41.1	173.4	-167.3	166.8	-172.4	148.5	0	112.4	S47 V48 E49 D91 P95	K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.2Å; K45-V48 WeakPolarHBondContact O-CA 3.31Å; K45-V48 WeakPolarHBondContact O-CB 3.5Å; K45-V48 PolarHBondContact O-N 3.35Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 2.81Å; K45-D91 WeakPolarHBondContact CD-O 3.07Å; K45-D91 WeakPolarHBondContact CE-O 3.48Å; K45-D91 PolarHBondContact NZ-O 3.46Å; K45-D91 IonicContact NZ-OD1 3.22Å; K45-D91 PolarHBondContact NZ-OD1 2.7Å; K45-P95 HydrophobicContact CD-CG 4.45Å; K45-P95 HydrophobicContact CG-CG 3.9Å
46	S	97.6	Very high	94.3	Very high	71 Å²	71	58.9 Å²	58.9	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-31.2	175.7	63.5	0	0	0	0	114.1	R44 E49 N50	R44-S46 PolarHBondContact O-N 3.38Å; S46-E49 WeakPolarHBondContact CA-OE2 3.25Å; S46-N50 WeakPolarHBondContact O-CB 3.47Å; S46-N50 PolarHBondContact O-N 3.17Å
47	S	96.5	Very high	93.8	Very high	40 Å²	40	63.8 Å²	63.8	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-71.5	-38.4	175.2	-62.1	0	0	0	0	111.1	R44 K45 N50 W51	R44-S47 WeakPolarHBondContact O-CA 3.46Å; R44-S47 VanDerWaalsContact O-CB 3.31Å; R44-S47 WeakPolarHBondContact O-CB 3.49Å; R44-S47 PolarHBondContact O-N 3.43Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.2Å; S47-N50 PolarHBondContact O-N 3.22Å; S47-W51 VanDerWaalsContact O-CD2 3.3Å; S47-W51 VanDerWaalsContact O-CG 3.25Å; S47-W51 PolarHBondContact O-N 3.43Å
48	V	97.5	Very high	93.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-50	174.2	178.2	0	0	0	0	110.3	T43 R44 K45 N50 W51 L52 T92 L93 P95 M96	T43-V48 HydrophobicContact CG2-CG2 3.66Å; R44-V48 PolarHBondContact O-N 3.21Å; K45-V48 WeakPolarHBondContact O-CA 3.31Å; K45-V48 WeakPolarHBondContact O-CB 3.5Å; K45-V48 PolarHBondContact O-N 3.35Å; V48-N50 VanDerWaalsContact C-N 3.31Å; V48-N50 PolarHBondContact O-N 3.38Å; V48-W51 HydrophobicContact CG2-CE3 4.23Å; V48-W51 HydrophobicContact CG2-CZ3 4.08Å; V48-W51 WeakPolarHBondContact O-CB 3.34Å; V48-W51 PolarHBondContact O-N 2.85Å; V48-L52 HydrophobicContact CG1-CD1 4.24Å; V48-L52 WeakPolarHBondContact O-CG 3.34Å; V48-L52 PolarHBondContact O-N 3.19Å; V48-L52 VanDerWaalsContact O-N 3.07Å; V48-T92 HydrophobicContact CG2-CG2 4.2Å; V48-L93 HydrophobicContact CG2-CD2 3.99Å; V48-P95 HydrophobicContact CG1-CB 4.35Å; V48-M96 HydrophobicContact CG1-CB 3.76Å; V48-M96 HydrophobicContact CG1-CE 4.23Å
49	E	98.2	Very high	93.7	Very high	96 Å²	96	64.6 Å²	64.6	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-55.1	-46.3	176.2	-68.5	168.2	162.6	0	0	111.5	K45 S46 W51 L52 T53 P95	K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 2.81Å; S46-E49 WeakPolarHBondContact CA-OE2 3.25Å; E49-W51 VanDerWaalsContact C-N 3.33Å; E49-W51 PolarHBondContact O-N 3.46Å; E49-L52 WeakPolarHBondContact O-CB 3.43Å; E49-L52 PolarHBondContact O-N 3Å; E49-T53 PolarHBondContact O-N 2.89Å; E49-P95 HydrophobicContact CG-CB 4.1Å; E49-P95 HydrophobicContact CG-CG 3.97Å
50	N	97.2	Very high	94	Very high	89 Å²	89	65 Å²	65	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-67	-28.4	177.6	-179.8	71.9	0	0	0	113.9	S46 S47 V48 T53 Q54	S46-N50 WeakPolarHBondContact O-CB 3.47Å; S46-N50 PolarHBondContact O-N 3.17Å; S47-N50 PolarHBondContact O-N 3.22Å; V48-N50 VanDerWaalsContact C-N 3.31Å; V48-N50 PolarHBondContact O-N 3.38Å; N50-T53 PolarHBondContact O-OG1 3.48Å; N50-Q54 PolarHBondContact ND2-NE2 3.29Å; N50-Q54 WeakPolarHBondContact O-CG 3.49Å; N50-Q54 PolarHBondContact O-NE2 2.88Å
51	W	97.2	Very high	94.4	Very high	25 Å²	25	56.4 Å²	56.4	10%	0.095	29%	0.294	C	S	.	.	H	α-helix	trans	-69.7	-40.1	171.7	-66.5	-32.8	0	0	0	111.4	L23 L35 T43 S47 V48 E49 T53 Q54 F61 M96	L23-W51 HydrophobicContact CD2-CB 3.66Å; L23-W51 HydrophobicContact CD2-CG 3.94Å; L35-W51 HydrophobicContact CD1-CD2 4.39Å; L35-W51 HydrophobicContact CD1-CE3 3.7Å; L35-W51 HydrophobicContact CD1-CH2 4.3Å; L35-W51 HydrophobicContact CD1-CZ3 3.66Å; T43-W51 HydrophobicContact CG2-CH2 4.13Å; T43-W51 HydrophobicContact CG2-CZ3 4.09Å; S47-W51 VanDerWaalsContact O-CD2 3.3Å; S47-W51 VanDerWaalsContact O-CG 3.25Å; S47-W51 PolarHBondContact O-N 3.43Å; V48-W51 HydrophobicContact CG2-CE3 4.23Å; V48-W51 HydrophobicContact CG2-CZ3 4.08Å; V48-W51 WeakPolarHBondContact O-CB 3.34Å; V48-W51 PolarHBondContact O-N 2.85Å; E49-W51 VanDerWaalsContact C-N 3.33Å; E49-W51 PolarHBondContact O-N 3.46Å; W51-T53 VanDerWaalsContact C-N 3.26Å; W51-T53 PolarHBondContact O-N 3.43Å; W51-Q54 PolarHBondContact O-N 3.46Å; W51-Q54 VanDerWaalsContact O-N 3.08Å; W51-F61 HydrophobicContact CB-CE1 4.5Å; W51-F61 HydrophobicContact CB-CZ 4.35Å; W51-M96 HydrophobicContact CE3-CE 4.41Å
52	L	97.8	Very high	94.7	Very high	27 Å²	27	55 Å²	55	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-30.3	180	-62.9	169.4	0	0	0	112.4	V48 E49 Q54 F61 P95 M96 K101	V48-L52 HydrophobicContact CG1-CD1 4.24Å; V48-L52 WeakPolarHBondContact O-CG 3.34Å; V48-L52 PolarHBondContact O-N 3.19Å; V48-L52 VanDerWaalsContact O-N 3.07Å; E49-L52 WeakPolarHBondContact O-CB 3.43Å; E49-L52 PolarHBondContact O-N 3Å; L52-Q54 VanDerWaalsContact C-N 3.26Å; L52-Q54 PolarHBondContact O-N 3.2Å; L52-F61 HydrophobicContact CD2-CE2 4.02Å; L52-P95 HydrophobicContact CD1-CB 3.79Å; L52-P95 WeakPolarHBondContact CD1-O 3.39Å; L52-M96 HydrophobicContact CD1-CB 4.33Å; L52-M96 HydrophobicContact CD2-CB 4.15Å; L52-M96 HydrophobicContact CD2-CG 4.17Å; L52-K101 HydrophobicContact CD2-CB 3.99Å; L52-K101 HydrophobicContact CD2-CD 3.84Å; L52-K101 HydrophobicContact CD2-CG 4.39Å
53	T	96.9	Very high	95	Very high	111 Å²	111	53.7 Å²	53.7	68%	0.681	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.8	175.6	62.2	0	0	0	0	114	E49 N50 W51	E49-T53 PolarHBondContact O-N 2.89Å; N50-T53 PolarHBondContact O-OG1 3.48Å; W51-T53 VanDerWaalsContact C-N 3.26Å; W51-T53 PolarHBondContact O-N 3.43Å
54	Q	95.3	Very high	95.2	Very high	45 Å²	45	53.3 Å²	53.3	21%	0.21	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.2	-175.4	-74.7	176.5	76.6	0	0	113.7	L23 Y24 N50 W51 L52	L23-Q54 HydrophobicContact CB-CB 4.35Å; L23-Q54 HydrophobicContact CD2-CB 4.28Å; L23-Q54 HydrophobicContact CG-CB 4.32Å; Y24-Q54 VanDerWaalsContact CA-O 3.3Å; Y24-Q54 WeakPolarHBondContact CA-O 3.48Å; N50-Q54 PolarHBondContact ND2-NE2 3.29Å; N50-Q54 WeakPolarHBondContact O-CG 3.49Å; N50-Q54 PolarHBondContact O-NE2 2.88Å; W51-Q54 PolarHBondContact O-N 3.46Å; W51-Q54 VanDerWaalsContact O-N 3.08Å; L52-Q54 VanDerWaalsContact C-N 3.26Å; L52-Q54 PolarHBondContact O-N 3.2Å
55	V	92.5	Very high	95.3	Very high	18 Å²	18	44.1 Å²	44.1	11%	0.109	24%	0.235	C	C	.	.	S	Bend	trans	-123.1	150.2	-171.6	-59.9	0	0	0	0	111.9	L23 A27 F59 F61 K101	L23-V55 HydrophobicContact CD1-CG1 3.99Å; L23-V55 HydrophobicContact CD2-CG1 3.75Å; L23-V55 HydrophobicContact CG-CG1 3.63Å; A27-V55 HydrophobicContact CB-CB 4.38Å; A27-V55 HydrophobicContact CB-CG1 4.03Å; V55-F59 HydrophobicContact CB-CB 3.75Å; V55-F59 HydrophobicContact CB-CD1 3.81Å; V55-F59 HydrophobicContact CB-CD2 4.31Å; V55-F59 HydrophobicContact CB-CG 3.71Å; V55-F59 HydrophobicContact CG1-CD1 3.74Å; V55-F59 HydrophobicContact CG1-CD2 4.31Å; V55-F59 HydrophobicContact CG1-CE1 3.93Å; V55-F59 HydrophobicContact CG1-CE2 4.45Å; V55-F59 HydrophobicContact CG1-CG 3.95Å; V55-F59 HydrophobicContact CG1-CZ 4.29Å; V55-F59 HydrophobicContact CG2-CB 4.09Å; V55-F59 HydrophobicContact CG2-CD1 4.05Å; V55-F59 HydrophobicContact CG2-CG 4.27Å; V55-F61 HydrophobicContact CB-CZ 4.47Å; V55-F61 HydrophobicContact CG1-CZ 3.86Å; V55-F61 HydrophobicContact CG2-CE2 3.91Å; V55-F61 HydrophobicContact CG2-CZ 3.86Å; V55-K101 HydrophobicContact CG2-CD 3.94Å
56	P	85.2	Confident	95.3	Very high	59 Å²	59	42.5 Å²	42.5	38%	0.383	23%	0.227	S	C	.	.			trans	-69.2	169.9	175.2	30.2	-34.2	0	0	0	111.7	D58 F59 K101	P56-D58 VanDerWaalsContact C-N 3.29Å; P56-D58 WeakPolarHBondContact CB-OD1 3.48Å; P56-D58 PolarHBondContact O-N 2.85Å; P56-F59 HydrophobicContact CG-CB 4.03Å; P56-F59 WeakPolarHBondContact O-CB 3.32Å; P56-F59 PolarHBondContact O-N 3.34Å; P56-K101 WeakPolarHBondContact O-CE 3.5Å
57	E	84.5	Confident	95.3	Very high	139 Å²	139	39.1 Å²	39.1	65%	0.65	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.5	-171.1	-171.2	58	-165.9	0	0	114	R60 K101	E57-R60 PolarHBondContact O-NH1 3.05Å; E57-K101 IonicContact OE1-NZ 2.63Å; E57-K101 IonicContact OE2-NZ 3.57Å; E57-K101 PolarHBondContact OE2-NZ 2.76Å
58	D	84.3	Confident	95.3	Very high	88 Å²	88	37.2 Å²	37.2	47%	0.471	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.7	-179.5	67.6	-46.6	0	0	0	114	R3 P56 R60	R3-D58 PolarHBondContact NE-O 3.32Å; P56-D58 VanDerWaalsContact C-N 3.29Å; P56-D58 WeakPolarHBondContact CB-OD1 3.48Å; P56-D58 PolarHBondContact O-N 2.85Å; D58-R60 PolarHBondContact O-NH1 3.25Å
59	F	93.2	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.			trans	-67.4	143.4	177.4	-167.2	-81.9	0	0	0	111.2	L23 Y26 A27 L30 P31 V33 V55 P56 F61	L23-F59 HydrophobicContact CD1-CE1 4.42Å; L23-F59 HydrophobicContact CD1-CZ 4.08Å; Y26-F59 AromaticContact CD1-CE2 3.95Å; Y26-F59 HydrophobicContact CD1-CE2 3.95Å; Y26-F59 AromaticContact CD1-CZ 3.97Å; Y26-F59 HydrophobicContact CD1-CZ 3.97Å; Y26-F59 AromaticContact CE1-CE2 3.96Å; Y26-F59 HydrophobicContact CE1-CE2 3.96Å; Y26-F59 AromaticContact CE1-CZ 3.88Å; Y26-F59 HydrophobicContact CE1-CZ 3.88Å; A27-F59 HydrophobicContact CB-CD2 3.7Å; A27-F59 HydrophobicContact CB-CE2 3.68Å; L30-F59 WeakPolarHBondContact O-CD2 3.45Å; L30-F59 WeakPolarHBondContact O-CE2 3.39Å; P31-F59 WeakPolarHBondContact O-CA 3.46Å; V33-F59 HydrophobicContact CB-CE1 4.38Å; V33-F59 HydrophobicContact CB-CZ 3.95Å; V33-F59 HydrophobicContact CG1-CE1 3.74Å; V33-F59 HydrophobicContact CG1-CZ 3.73Å; V55-F59 HydrophobicContact CB-CB 3.75Å; V55-F59 HydrophobicContact CB-CD1 3.81Å; V55-F59 HydrophobicContact CB-CD2 4.31Å; V55-F59 HydrophobicContact CB-CG 3.71Å; V55-F59 HydrophobicContact CG1-CD1 3.74Å; V55-F59 HydrophobicContact CG1-CD2 4.31Å; V55-F59 HydrophobicContact CG1-CE1 3.93Å; V55-F59 HydrophobicContact CG1-CE2 4.45Å; V55-F59 HydrophobicContact CG1-CG 3.95Å; V55-F59 HydrophobicContact CG1-CZ 4.29Å; V55-F59 HydrophobicContact CG2-CB 4.09Å; V55-F59 HydrophobicContact CG2-CD1 4.05Å; V55-F59 HydrophobicContact CG2-CG 4.27Å; P56-F59 HydrophobicContact CG-CB 4.03Å; P56-F59 WeakPolarHBondContact O-CB 3.32Å; P56-F59 PolarHBondContact O-N 3.34Å; F59-F61 HydrophobicContact CD1-CD2 4.33Å; F59-F61 HydrophobicContact CD1-CE1 4.23Å; F59-F61 AromaticContact CD1-CE2 3.9Å; F59-F61 HydrophobicContact CD1-CE2 3.9Å; F59-F61 AromaticContact CD1-CZ 3.85Å; F59-F61 HydrophobicContact CD1-CZ 3.85Å; F59-F61 AromaticContact CE1-CD1 3.99Å; F59-F61 HydrophobicContact CE1-CD1 3.99Å; F59-F61 HydrophobicContact CE1-CD2 4.47Å; F59-F61 AromaticContact CE1-CE1 3.65Å; F59-F61 HydrophobicContact CE1-CE1 3.65Å; F59-F61 HydrophobicContact CE1-CE2 4.15Å; F59-F61 HydrophobicContact CE1-CG 4.4Å; F59-F61 AromaticContact CE1-CZ 3.73Å; F59-F61 HydrophobicContact CE1-CZ 3.73Å
60	R	97.6	Very high	95.2	Very high	47 Å²	47	32.9 Å²	32.9	18%	0.177	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.6	179.5	-57.7	-67.9	178.9	-94.9	7	113.2	P31 L32 V33 E57 D58 G100 K101 F103	P31-R60 PolarHBondContact O-N 3.41Å; L32-R60 WeakPolarHBondContact CA-O 3.41Å; L32-R60 HydrophobicContact CD1-CB 3.86Å; L32-R60 WeakPolarHBondContact CD1-O 3.46Å; V33-R60 PolarHBondContact N-O 2.91Å; E57-R60 PolarHBondContact O-NH1 3.05Å; D58-R60 PolarHBondContact O-NH1 3.25Å; R60-G100 PolarHBondContact NE-O 2.8Å; R60-G100 VanDerWaalsContact NE-O 3.16Å; R60-K101 CarbonylContact C-O 3.5Å; R60-K101 WeakPolarHBondContact CA-O 3.33Å; R60-K101 WeakPolarHBondContact CD-O 3.47Å; R60-F103 HydrophobicContact CB-CB 3.88Å; R60-F103 HydrophobicContact CB-CD2 4.35Å
61	F	98.5	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	179.9	-61.7	-88.9	0	0	0	111.5	L23 V33 L35 W51 L52 V55 F59 V63 M96 K101 F103	L23-F61 HydrophobicContact CD1-CE1 4.37Å; L23-F61 HydrophobicContact CD2-CE1 3.96Å; L23-F61 HydrophobicContact CD2-CZ 4.11Å; V33-F61 HydrophobicContact CG1-CD1 3.53Å; V33-F61 HydrophobicContact CG1-CE1 3.81Å; V33-F61 WeakPolarHBondContact O-CA 3.43Å; L35-F61 HydrophobicContact CD1-CD1 3.62Å; L35-F61 HydrophobicContact CD1-CE1 4.22Å; L35-F61 HydrophobicContact CD1-CG 4.36Å; L35-F61 HydrophobicContact CD2-CD1 4.43Å; L35-F61 HydrophobicContact CG-CD1 3.99Å; W51-F61 HydrophobicContact CB-CE1 4.5Å; W51-F61 HydrophobicContact CB-CZ 4.35Å; L52-F61 HydrophobicContact CD2-CE2 4.02Å; V55-F61 HydrophobicContact CB-CZ 4.47Å; V55-F61 HydrophobicContact CG1-CZ 3.86Å; V55-F61 HydrophobicContact CG2-CE2 3.91Å; V55-F61 HydrophobicContact CG2-CZ 3.86Å; F59-F61 HydrophobicContact CD1-CD2 4.33Å; F59-F61 HydrophobicContact CD1-CE1 4.23Å; F59-F61 AromaticContact CD1-CE2 3.9Å; F59-F61 HydrophobicContact CD1-CE2 3.9Å; F59-F61 AromaticContact CD1-CZ 3.85Å; F59-F61 HydrophobicContact CD1-CZ 3.85Å; F59-F61 AromaticContact CE1-CD1 3.99Å; F59-F61 HydrophobicContact CE1-CD1 3.99Å; F59-F61 HydrophobicContact CE1-CD2 4.47Å; F59-F61 AromaticContact CE1-CE1 3.65Å; F59-F61 HydrophobicContact CE1-CE1 3.65Å; F59-F61 HydrophobicContact CE1-CE2 4.15Å; F59-F61 HydrophobicContact CE1-CG 4.4Å; F59-F61 AromaticContact CE1-CZ 3.73Å; F59-F61 HydrophobicContact CE1-CZ 3.73Å; F61-V63 HydrophobicContact CB-CG2 4.23Å; F61-M96 HydrophobicContact CB-CE 3.85Å; F61-M96 HydrophobicContact CB-SD 3.56Å; F61-M96 VanDerWaalsContact CB-SD 3.56Å; F61-M96 HydrophobicContact CD1-CE 3.92Å; F61-M96 HydrophobicContact CD2-CE 3.52Å; F61-M96 HydrophobicContact CD2-CG 4.24Å; F61-M96 HydrophobicContact CD2-SD 3.89Å; F61-M96 HydrophobicContact CE1-CE 4.33Å; F61-M96 HydrophobicContact CE2-CE 3.99Å; F61-M96 HydrophobicContact CG-CE 3.48Å; F61-M96 VanDerWaalsContact CG-CE 3.48Å; F61-M96 HydrophobicContact CG-SD 3.84Å; F61-M96 HydrophobicContact CZ-CE 4.36Å; F61-K101 HydrophobicContact CD2-CB 4.08Å; F61-K101 HydrophobicContact CE2-CB 4.22Å; F61-K101 PolarHBondContact N-O 3.23Å; F61-F103 WeakPolarHBondContact O-CB 2.87Å; F61-F103 PolarHBondContact O-N 3.31Å
62	V	98.8	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.9	160.2	175.8	0	0	0	0	106.8	L32 V33 E34 L35 F103 C104 L106 L189 I241	L32-V62 HydrophobicContact CD1-CG2 4.04Å; L32-V62 HydrophobicContact CD2-CG2 4.42Å; L32-V62 HydrophobicContact CG-CG2 4.42Å; V33-V62 PolarHBondContact O-N 2.95Å; E34-V62 CarbonylContact C-O 3.52Å; E34-V62 VanDerWaalsContact CA-O 3.27Å; E34-V62 WeakPolarHBondContact CA-O 3.37Å; E34-V62 HydrophobicContact CB-CB 3.96Å; E34-V62 HydrophobicContact CB-CG1 4.22Å; E34-V62 HydrophobicContact CG-CB 4.39Å; E34-V62 HydrophobicContact CG-CG1 4.14Å; L35-V62 PolarHBondContact N-O 3.48Å; V62-F103 HydrophobicContact CG2-CB 4.19Å; V62-F103 HydrophobicContact CG2-CD1 3.94Å; V62-F103 HydrophobicContact CG2-CG 4.38Å; V62-C104 CarbonylContact C-O 3.54Å; V62-C104 WeakPolarHBondContact CA-O 3.46Å; V62-L106 HydrophobicContact CG1-CB 3.73Å; V62-L106 HydrophobicContact CG1-CD2 4.41Å; V62-L189 HydrophobicContact CG1-CD2 4.18Å; V62-L189 HydrophobicContact CG2-CD1 4.04Å; V62-I241 HydrophobicContact CG2-CD1 4.29Å; V62-I241 HydrophobicContact CG2-CG1 4.35Å
63	V	98.4	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.1	-179	178.8	0	0	0	0	109.2	L35 N38 F61 L65 F89 L93 M96 L102 C104 F105 L106	L35-V63 HydrophobicContact CD1-CG2 4.45Å; N38-V63 HydrophobicContact CB-CG1 4.31Å; F61-V63 HydrophobicContact CB-CG2 4.23Å; V63-L65 PolarHBondContact O-N 2.85Å; V63-F89 HydrophobicContact CG1-CZ 4.2Å; V63-L93 HydrophobicContact CG1-CD1 3.93Å; V63-L93 HydrophobicContact CG1-CD2 4.05Å; V63-L93 HydrophobicContact CG2-CD2 4.27Å; V63-M96 HydrophobicContact CG2-CE 4.4Å; V63-M96 HydrophobicContact CG2-SD 3.51Å; V63-M96 VanDerWaalsContact CG2-SD 3.51Å; V63-L102 HydrophobicContact CB-CD1 4.17Å; V63-L102 HydrophobicContact CG2-CD1 3.82Å; V63-C104 PolarHBondContact N-O 3.19Å; V63-F105 HydrophobicContact CB-CD1 3.81Å; V63-F105 HydrophobicContact CB-CE1 3.95Å; V63-F105 HydrophobicContact CG1-CD1 4.12Å; V63-F105 HydrophobicContact CG1-CE1 4.13Å; V63-F105 CarbonylContact O-C 3.51Å; V63-F105 VanDerWaalsContact O-CA 3.24Å; V63-F105 WeakPolarHBondContact O-CA 3.44Å; V63-L106 PolarHBondContact O-N 3Å
64	K	98.3	Very high	94.5	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.052	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.2	175.7	-164	168.2	-173.2	169.9	0	110.5	L35 D36 N38 Y39 L106 Q108	L35-K64 WeakPolarHBondContact O-CB 3.35Å; L35-K64 PolarHBondContact O-N 2.94Å; L35-K64 VanDerWaalsContact O-N 3.12Å; D36-K64 WeakPolarHBondContact OD1-CD 3.33Å; D36-K64 IonicContact OD1-NZ 2.86Å; D36-K64 PolarHBondContact OD1-NZ 3.2Å; N38-K64 WeakPolarHBondContact CB-O 3.38Å; Y39-K64 HydrophobicContact CD2-CD 4.16Å; Y39-K64 HydrophobicContact CD2-CG 4.29Å; Y39-K64 HydrophobicContact CG-CD 4.2Å; K64-L106 HydrophobicContact CD-CD2 4.48Å; K64-L106 HydrophobicContact CG-CD2 4.37Å; K64-L106 HydrophobicContact CG-CG 4.49Å; K64-Q108 VanDerWaalsContact CE-CD 3.48Å; K64-Q108 VanDerWaalsContact CE-OE1 3.29Å
65	L	98.1	Very high	94.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-61.4	148.4	177.5	-67.3	-171.8	0	0	0	110.7	Y39 V63 G67 F69 F89 F105 L106 A107 L126 F130	Y39-L65 WeakPolarHBondContact CA-O 3.41Å; V63-L65 PolarHBondContact O-N 2.85Å; L65-G67 PolarHBondContact O-N 3.01Å; L65-F69 HydrophobicContact CB-CB 4.27Å; L65-F69 HydrophobicContact CB-CD2 4.22Å; L65-F69 HydrophobicContact CD1-CB 4.06Å; L65-F69 HydrophobicContact CD1-CG 4.44Å; L65-F89 HydrophobicContact CD2-CD1 4.41Å; L65-F89 HydrophobicContact CD2-CE1 3.48Å; L65-F89 VanDerWaalsContact CD2-CE1 3.48Å; L65-F89 HydrophobicContact CD2-CZ 3.61Å; L65-F105 HydrophobicContact CD2-CB 3.69Å; L65-F105 HydrophobicContact CD2-CD1 3.93Å; L65-F105 HydrophobicContact CD2-CG 3.86Å; L65-F105 HydrophobicContact CG-CB 4.21Å; L65-L106 PolarHBondContact N-O 2.9Å; L65-A107 HydrophobicContact CD1-CB 3.71Å; L65-A107 HydrophobicContact CG-CB 4.45Å; L65-L126 HydrophobicContact CD1-CD1 4.25Å; L65-F130 HydrophobicContact CD1-CE2 3.93Å; L65-F130 HydrophobicContact CD1-CZ 3.94Å; L65-F130 HydrophobicContact CD2-CE1 3.66Å; L65-F130 HydrophobicContact CD2-CE2 4.35Å; L65-F130 HydrophobicContact CD2-CZ 3.55Å; L65-F130 HydrophobicContact CG-CZ 4.4Å
66	Y	97.7	Very high	94.5	Very high	24 Å²	24	40.9 Å²	40.9	9%	0.094	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55	136.9	168.8	174.5	-122.1	0	0	0	110.6	N38 Y39 I42 G68 F69 A73 W75 Y79 M85	N38-Y66 WeakPolarHBondContact O-CA 3.02Å; N38-Y66 WeakPolarHBondContact O-CB 3.44Å; N38-Y66 WeakPolarHBondContact O-CD2 3.28Å; Y39-Y66 WeakPolarHBondContact O-CD2 3.41Å; I42-Y66 HydrophobicContact CG1-CD1 4.48Å; I42-Y66 HydrophobicContact CG1-CG 4.17Å; Y66-G68 PolarHBondContact O-N 3.49Å; Y66-F69 WeakPolarHBondContact O-CD2 3.39Å; Y66-F69 PolarHBondContact O-N 3.34Å; Y66-A73 HydrophobicContact CE2-CB 4.18Å; Y66-W75 HydrophobicContact CE1-CB 4.07Å; Y66-Y79 HydrophobicContact CE1-CE2 4.28Å; Y66-M85 HydrophobicContact CD1-CG 4.2Å; Y66-M85 HydrophobicContact CD1-SD 3.52Å; Y66-M85 VanDerWaalsContact CD1-SD 3.52Å; Y66-M85 HydrophobicContact CE1-SD 3.65Å
67	G	96.7	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.5	-17	-174.4	0	0	0	0	0	114.5	Y39 L65 F69 T70 G71 Q72 A73	Y39-G67 PolarHBondContact O-N 3.07Å; L65-G67 PolarHBondContact O-N 3.01Å; G67-F69 VanDerWaalsContact C-N 3.3Å; G67-F69 PolarHBondContact O-N 3.36Å; G67-T70 PolarHBondContact O-N 2.6Å; G67-T70 PolarHBondContact O-OG1 2.95Å; G67-G71 PolarHBondContact O-N 2.84Å; G67-Q72 PolarHBondContact O-N 3.32Å; G67-A73 PolarHBondContact O-N 3.41Å; G67-A73 VanDerWaalsContact O-N 3.14Å
68	G	96.5	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61.1	-34.8	171.7	0	0	0	0	0	113.5	Y66 T70	Y66-G68 PolarHBondContact O-N 3.49Å; G68-T70 VanDerWaalsContact C-N 3.3Å; G68-T70 PolarHBondContact O-N 3.28Å
69	F	97.5	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-75.1	-16.6	177.5	-65.1	-71.1	0	0	0	113.7	L65 Y66 G67 M85 Q86 F89 Y122 L126 L129 F130	L65-F69 HydrophobicContact CB-CB 4.27Å; L65-F69 HydrophobicContact CB-CD2 4.22Å; L65-F69 HydrophobicContact CD1-CB 4.06Å; L65-F69 HydrophobicContact CD1-CG 4.44Å; Y66-F69 WeakPolarHBondContact O-CD2 3.39Å; Y66-F69 PolarHBondContact O-N 3.34Å; G67-F69 VanDerWaalsContact C-N 3.3Å; G67-F69 PolarHBondContact O-N 3.36Å; F69-M85 HydrophobicContact CD1-CE 3.52Å; F69-M85 HydrophobicContact CD2-CE 4.02Å; F69-M85 HydrophobicContact CE1-CE 3.35Å; F69-M85 HydrophobicContact CE1-CG 4.47Å; F69-M85 HydrophobicContact CE2-CE 3.89Å; F69-M85 HydrophobicContact CE2-CG 4.11Å; F69-M85 HydrophobicContact CE2-SD 4.39Å; F69-M85 HydrophobicContact CG-CE 3.83Å; F69-M85 HydrophobicContact CZ-CB 4.39Å; F69-M85 HydrophobicContact CZ-CE 3.53Å; F69-M85 HydrophobicContact CZ-CG 3.79Å; F69-M85 HydrophobicContact CZ-SD 4.31Å; F69-Q86 HydrophobicContact CE1-CB 3.94Å; F69-Q86 HydrophobicContact CZ-CB 3.96Å; F69-F89 HydrophobicContact CE2-CB 4.17Å; F69-F89 HydrophobicContact CE2-CD1 4.48Å; F69-F89 HydrophobicContact CE2-CD2 4.24Å; F69-F89 HydrophobicContact CE2-CG 4.06Å; F69-F89 HydrophobicContact CZ-CB 4.33Å; F69-Y122 VanDerWaalsContact C-OH 3.29Å; F69-Y122 WeakPolarHBondContact O-CE1 3.33Å; F69-Y122 PolarHBondContact O-OH 3.07Å; F69-L126 HydrophobicContact CB-CD1 4.35Å; F69-L129 HydrophobicContact CD1-CD1 4.37Å; F69-L129 HydrophobicContact CE1-CD1 4.36Å; F69-F130 AromaticContact CD1-CE2 3.85Å; F69-F130 HydrophobicContact CD1-CE2 3.85Å; F69-F130 HydrophobicContact CD1-CZ 4.14Å; F69-F130 HydrophobicContact CD2-CZ 4.23Å; F69-F130 AromaticContact CE1-CE2 3.99Å; F69-F130 HydrophobicContact CE1-CE2 3.99Å; F69-F130 HydrophobicContact CE1-CZ 4.03Å; F69-F130 HydrophobicContact CE2-CZ 4.12Å; F69-F130 HydrophobicContact CG-CE2 4.22Å; F69-F130 HydrophobicContact CG-CZ 4.26Å; F69-F130 HydrophobicContact CZ-CE2 4.45Å; F69-F130 HydrophobicContact CZ-CZ 4.03Å
70	T	97.2	Very high	96.1	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.031	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-112.9	11.7	-179.6	61.9	0	0	0	0	112.8	G67 G68 Q72 A107 Q108 F109 P110	G67-T70 PolarHBondContact O-N 2.6Å; G67-T70 PolarHBondContact O-OG1 2.95Å; G68-T70 VanDerWaalsContact C-N 3.3Å; G68-T70 PolarHBondContact O-N 3.28Å; T70-Q72 VanDerWaalsContact C-N 3.28Å; T70-Q72 PolarHBondContact O-N 3Å; T70-Q72 PolarHBondContact OG1-OE1 3.2Å; T70-A107 HydrophobicContact CG2-CB 4.38Å; T70-Q108 WeakPolarHBondContact CB-O 3.47Å; T70-Q108 WeakPolarHBondContact CG2-O 3.12Å; T70-F109 HydrophobicContact CG2-CE1 4.48Å; T70-P110 WeakPolarHBondContact O-CD 3.12Å
71	G	93.8	Very high	96	Very high	65 Å²	65	45.3 Å²	45.3	67%	0.67	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	18.3	178.2	0	0	0	0	0	114.4	G67	G67-G71 PolarHBondContact O-N 2.84Å
72	Q	94	Very high	95.9	Very high	70 Å²	70	47.2 Å²	47.2	33%	0.327	27%	0.267	S	S	.	.	S	Bend	trans	-107.5	-5.6	-175.3	-60.8	-177.5	-92.5	0	0	113.8	Y39 G67 T70 Q108 P110	Y39-Q72 HydrophobicContact CE2-CB 4.43Å; Y39-Q72 WeakPolarHBondContact OH-CB 3.15Å; Y39-Q72 VanDerWaalsContact OH-CD 3.25Å; Y39-Q72 PolarHBondContact OH-NE2 3.12Å; G67-Q72 PolarHBondContact O-N 3.32Å; T70-Q72 VanDerWaalsContact C-N 3.28Å; T70-Q72 PolarHBondContact O-N 3Å; T70-Q72 PolarHBondContact OG1-OE1 3.2Å; Q72-Q108 PolarHBondContact OE1-O 2.92Å; Q72-P110 HydrophobicContact CG-CB 4.16Å; Q72-P110 HydrophobicContact CG-CG 3.89Å
73	A	93.3	Very high	95.8	Very high	31 Å²	31	50.7 Å²	50.7	26%	0.256	29%	0.288	S	S	.	.	S	Bend	trans	-131.8	145.5	172	0	0	0	0	0	110.9	Y66 G67 W75	Y66-A73 HydrophobicContact CE2-CB 4.18Å; G67-A73 PolarHBondContact O-N 3.41Å; G67-A73 VanDerWaalsContact O-N 3.14Å; A73-W75 PolarHBondContact O-N 3.42Å; A73-W75 VanDerWaalsContact O-N 3.07Å
74	K	92.4	Very high	95.7	Very high	160 Å²	160	51.9 Å²	51.9	70%	0.696	30%	0.298	S	S	*	.			trans	-78.5	86	175	-66.4	-174.9	179.1	-175.3	0	109.7	Q76	K74-Q76 VanDerWaalsContact C-N 3.32Å
75	W	94	Very high	95.7	Very high	43 Å²	43	51.3 Å²	51.3	16%	0.163	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-76.4	-21.6	-176.6	60.2	-98.5	0	0	0	113.5	Y66 A73 D77 S78 Y79 S81 M82 M85	Y66-W75 HydrophobicContact CE1-CB 4.07Å; A73-W75 PolarHBondContact O-N 3.42Å; A73-W75 VanDerWaalsContact O-N 3.07Å; W75-D77 PolarHBondContact O-N 2.98Å; W75-S78 PolarHBondContact O-N 2.94Å; W75-Y79 HydrophobicContact CB-CD2 4.33Å; W75-Y79 PolarHBondContact O-N 3.15Å; W75-S81 VanDerWaalsContact CZ3-C 3.48Å; W75-M82 HydrophobicContact CH2-CG 3.8Å; W75-M82 HydrophobicContact CZ2-CG 3.4Å; W75-M82 HydrophobicContact CZ2-SD 4.29Å; W75-M85 HydrophobicContact CB-CE 4.35Å; W75-M85 HydrophobicContact CB-SD 3.39Å; W75-M85 WeakPolarHBondContact CB-SD 3.1Å; W75-M85 HydrophobicContact CD2-SD 4.38Å; W75-M85 HydrophobicContact CG-CE 4.15Å; W75-M85 HydrophobicContact CG-SD 3.8Å
76	Q	94.9	Very high	95.7	Very high	114 Å²	114	52.5 Å²	52.5	53%	0.533	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.5	-23.3	-177.9	-62.6	85.1	-11	0	0	112.9	K74 S78	K74-Q76 VanDerWaalsContact C-N 3.32Å; Q76-S78 PolarHBondContact O-N 3.39Å
77	D	92.3	Very high	95.7	Very high	134 Å²	134	57.1 Å²	57.1	72%	0.717	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-72.1	-21.3	176.5	-62.2	-18.8	0	0	0	112	W75	W75-D77 PolarHBondContact O-N 2.98Å
78	S	94.6	Very high	95.7	Very high	83 Å²	83	60.8 Å²	60.8	58%	0.58	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-20.4	-173.8	-56.8	0	0	0	0	114.1	W75 Q76	W75-S78 PolarHBondContact O-N 2.94Å; Q76-S78 PolarHBondContact O-N 3.39Å
79	Y	96.2	Very high	95.8	Very high	42 Å²	42	60.8 Å²	60.8	17%	0.165	34%	0.34	C	S	.	.			trans	-135.6	137	-174.8	-58.3	-79.4	0	0	0	111.5	I42 Y66 W75 S81 M85 H88	I42-Y79 WeakPolarHBondContact CD1-OH 3.28Å; Y66-Y79 HydrophobicContact CE1-CE2 4.28Å; W75-Y79 HydrophobicContact CB-CD2 4.33Å; W75-Y79 PolarHBondContact O-N 3.15Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 3.25Å; Y79-M85 HydrophobicContact CD1-CB 4.01Å; Y79-M85 HydrophobicContact CD1-CG 4.49Å; Y79-M85 HydrophobicContact CD2-CB 3.89Å; Y79-M85 HydrophobicContact CD2-CG 3.76Å; Y79-M85 HydrophobicContact CD2-SD 4.07Å; Y79-M85 HydrophobicContact CE2-CB 4.42Å; Y79-M85 HydrophobicContact CE2-CG 3.93Å; Y79-M85 HydrophobicContact CE2-SD 4.4Å; Y79-M85 HydrophobicContact CG-CB 3.67Å; Y79-M85 HydrophobicContact CG-CG 4.07Å; Y79-H88 HydrophobicContact CE1-CB 4.12Å; Y79-H88 AromaticContact CE1-ND1 3.43Å; Y79-H88 WeakPolarHBondContact CE1-ND1 3.37Å; Y79-H88 AromaticContact CZ-ND1 3.59Å; Y79-H88 PolarHBondContact OH-CE1 2.61Å; Y79-H88 PolarHBondContact OH-ND1 2.98Å
80	P	96.6	Very high	95.8	Very high	122 Å²	122	62.4 Å²	62.4	79%	0.792	35%	0.349	S	S	*	.	S	Bend	trans	-73.3	-20.8	-179	29.9	-36	0	0	0	113.4	A84	P80-A84 HydrophobicContact CG-CB 3.8Å
81	S	96.7	Very high	95.8	Very high	45 Å²	45	66 Å²	66	32%	0.315	37%	0.368	S	S	.	.	S	Bend	trans	-156.1	162.9	178.8	69.5	0	0	0	0	111.1	W75 Y79 T83 A84 M85	W75-S81 VanDerWaalsContact CZ3-C 3.48Å; Y79-S81 VanDerWaalsContact C-N 3.3Å; Y79-S81 PolarHBondContact O-N 3.25Å; S81-T83 PolarHBondContact O-N 3.36Å; S81-A84 PolarHBondContact O-N 2.79Å; S81-A84 PolarHBondContact OG-N 3.29Å; S81-M85 PolarHBondContact O-N 2.91Å; S81-M85 VanDerWaalsContact O-N 3.14Å
82	M	95.1	Very high	96	Very high	39 Å²	39	63.1 Å²	63.1	19%	0.192	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-33.8	171.9	-70.9	-177.7	72.7	0	0	112	W75 M85 Q86 Y122 L129	W75-M82 HydrophobicContact CH2-CG 3.8Å; W75-M82 HydrophobicContact CZ2-CG 3.4Å; W75-M82 HydrophobicContact CZ2-SD 4.29Å; M82-M85 WeakPolarHBondContact O-CB 3.45Å; M82-M85 PolarHBondContact O-N 3.04Å; M82-Q86 WeakPolarHBondContact O-CB 3.5Å; M82-Q86 PolarHBondContact O-N 3.32Å; M82-Y122 HydrophobicContact CE-CE2 3.76Å; M82-Y122 VanDerWaalsContact CE-OH 3.25Å; M82-Y122 WeakPolarHBondContact CE-OH 3.45Å; M82-Y122 HydrophobicContact SD-CE2 4.36Å; M82-L129 HydrophobicContact CB-CD1 4.38Å; M82-L129 HydrophobicContact CE-CD1 3.68Å
83	T	96.8	Very high	96.2	Very high	73 Å²	73	59.8 Å²	59.8	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-48.1	175.2	-50.8	0	0	0	0	111.3	S81 M85 Q86 E87	S81-T83 PolarHBondContact O-N 3.36Å; T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 2.86Å; T83-Q86 WeakPolarHBondContact O-CA 3.26Å; T83-Q86 WeakPolarHBondContact O-CB 3.23Å; T83-Q86 PolarHBondContact O-N 2.93Å; T83-E87 HydrophobicContact CG2-CG 4.47Å; T83-E87 WeakPolarHBondContact O-CG 3.47Å; T83-E87 PolarHBondContact O-N 2.95Å
84	A	97.6	Very high	96.4	Very high	26 Å²	26	61.9 Å²	61.9	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-36.3	177.8	0	0	0	0	0	112.2	P80 S81 H88	P80-A84 HydrophobicContact CG-CB 3.8Å; S81-A84 PolarHBondContact O-N 2.79Å; S81-A84 PolarHBondContact OG-N 3.29Å; A84-H88 PolarHBondContact O-N 3.25Å
85	M	97.4	Very high	96.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-41	172.7	-178	176	71.1	0	0	112	I42 Y66 F69 W75 Y79 S81 M82 T83 F89	I42-M85 HydrophobicContact CD1-CG 4.48Å; Y66-M85 HydrophobicContact CD1-CG 4.2Å; Y66-M85 HydrophobicContact CD1-SD 3.52Å; Y66-M85 VanDerWaalsContact CD1-SD 3.52Å; Y66-M85 HydrophobicContact CE1-SD 3.65Å; F69-M85 HydrophobicContact CD1-CE 3.52Å; F69-M85 HydrophobicContact CD2-CE 4.02Å; F69-M85 HydrophobicContact CE1-CE 3.35Å; F69-M85 HydrophobicContact CE1-CG 4.47Å; F69-M85 HydrophobicContact CE2-CE 3.89Å; F69-M85 HydrophobicContact CE2-CG 4.11Å; F69-M85 HydrophobicContact CE2-SD 4.39Å; F69-M85 HydrophobicContact CG-CE 3.83Å; F69-M85 HydrophobicContact CZ-CB 4.39Å; F69-M85 HydrophobicContact CZ-CE 3.53Å; F69-M85 HydrophobicContact CZ-CG 3.79Å; F69-M85 HydrophobicContact CZ-SD 4.31Å; W75-M85 HydrophobicContact CB-CE 4.35Å; W75-M85 HydrophobicContact CB-SD 3.39Å; W75-M85 WeakPolarHBondContact CB-SD 3.1Å; W75-M85 HydrophobicContact CD2-SD 4.38Å; W75-M85 HydrophobicContact CG-CE 4.15Å; W75-M85 HydrophobicContact CG-SD 3.8Å; Y79-M85 HydrophobicContact CD1-CB 4.01Å; Y79-M85 HydrophobicContact CD1-CG 4.49Å; Y79-M85 HydrophobicContact CD2-CB 3.89Å; Y79-M85 HydrophobicContact CD2-CG 3.76Å; Y79-M85 HydrophobicContact CD2-SD 4.07Å; Y79-M85 HydrophobicContact CE2-CB 4.42Å; Y79-M85 HydrophobicContact CE2-CG 3.93Å; Y79-M85 HydrophobicContact CE2-SD 4.4Å; Y79-M85 HydrophobicContact CG-CB 3.67Å; Y79-M85 HydrophobicContact CG-CG 4.07Å; S81-M85 PolarHBondContact O-N 2.91Å; S81-M85 VanDerWaalsContact O-N 3.14Å; M82-M85 WeakPolarHBondContact O-CB 3.45Å; M82-M85 PolarHBondContact O-N 3.04Å; T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact O-N 2.86Å; M85-F89 WeakPolarHBondContact O-CB 3.3Å; M85-F89 PolarHBondContact O-N 3.05Å
86	Q	97.6	Very high	96.9	Very high	25 Å²	25	53.3 Å²	53.3	12%	0.117	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-43.4	177.8	178.4	-85	-8	0	0	112.4	F69 M82 T83 H88 F89 L90 L129	F69-Q86 HydrophobicContact CE1-CB 3.94Å; F69-Q86 HydrophobicContact CZ-CB 3.96Å; M82-Q86 WeakPolarHBondContact O-CB 3.5Å; M82-Q86 PolarHBondContact O-N 3.32Å; T83-Q86 WeakPolarHBondContact O-CA 3.26Å; T83-Q86 WeakPolarHBondContact O-CB 3.23Å; T83-Q86 PolarHBondContact O-N 2.93Å; Q86-H88 VanDerWaalsContact C-N 3.35Å; Q86-H88 PolarHBondContact O-N 3.29Å; Q86-F89 WeakPolarHBondContact O-CB 3.22Å; Q86-F89 PolarHBondContact O-N 3.02Å; Q86-L90 PolarHBondContact O-N 3.33Å; Q86-L129 HydrophobicContact CB-CD2 4.05Å; Q86-L129 VanDerWaalsContact CD-O 3.31Å; Q86-L129 HydrophobicContact CG-CB 4.16Å; Q86-L129 HydrophobicContact CG-CD2 4.17Å; Q86-L129 VanDerWaalsContact CG-O 3.28Å; Q86-L129 WeakPolarHBondContact CG-O 3.12Å; Q86-L129 PolarHBondContact NE2-O 3.25Å
87	E	97.7	Very high	97.1	Very high	121 Å²	121	50.2 Å²	50.2	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-60.8	-46.3	177.6	-72.7	173	168.5	0	0	110.6	T83 F89 L90 D91	T83-E87 HydrophobicContact CG2-CG 4.47Å; T83-E87 WeakPolarHBondContact O-CG 3.47Å; T83-E87 PolarHBondContact O-N 2.95Å; E87-F89 VanDerWaalsContact C-N 3.35Å; E87-F89 PolarHBondContact O-N 2.75Å; E87-L90 PolarHBondContact O-N 3.39Å; E87-D91 WeakPolarHBondContact O-CB 3.35Å; E87-D91 PolarHBondContact O-N 3.42Å
88	H	97.4	Very high	97.3	Very high	78 Å²	78	50.5 Å²	50.5	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-40.4	175.5	-179.5	-144.5	0	0	0	112.5	Y79 A84 Q86 T92	Y79-H88 HydrophobicContact CE1-CB 4.12Å; Y79-H88 AromaticContact CE1-ND1 3.43Å; Y79-H88 WeakPolarHBondContact CE1-ND1 3.37Å; Y79-H88 AromaticContact CZ-ND1 3.59Å; Y79-H88 PolarHBondContact OH-CE1 2.61Å; Y79-H88 PolarHBondContact OH-ND1 2.98Å; A84-H88 PolarHBondContact O-N 3.25Å; Q86-H88 VanDerWaalsContact C-N 3.35Å; Q86-H88 PolarHBondContact O-N 3.29Å; H88-T92 WeakPolarHBondContact O-CB 3.21Å; H88-T92 PolarHBondContact O-N 3.24Å; H88-T92 PolarHBondContact O-OG1 3.32Å
89	F	97.9	Very high	97.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-48.1	177.2	-172.5	-99.7	0	0	0	111.9	N38 I42 V63 L65 F69 M85 Q86 E87 T92 L93 F105 F130	N38-F89 HydrophobicContact CB-CE2 4.03Å; I42-F89 HydrophobicContact CD1-CB 3.87Å; I42-F89 HydrophobicContact CD1-CD2 3.95Å; I42-F89 HydrophobicContact CD1-CG 4.43Å; I42-F89 HydrophobicContact CG1-CD2 4.01Å; I42-F89 HydrophobicContact CG2-CD2 4.29Å; V63-F89 HydrophobicContact CG1-CZ 4.2Å; L65-F89 HydrophobicContact CD2-CD1 4.41Å; L65-F89 HydrophobicContact CD2-CE1 3.48Å; L65-F89 VanDerWaalsContact CD2-CE1 3.48Å; L65-F89 HydrophobicContact CD2-CZ 3.61Å; F69-F89 HydrophobicContact CE2-CB 4.17Å; F69-F89 HydrophobicContact CE2-CD1 4.48Å; F69-F89 HydrophobicContact CE2-CD2 4.24Å; F69-F89 HydrophobicContact CE2-CG 4.06Å; F69-F89 HydrophobicContact CZ-CB 4.33Å; M85-F89 WeakPolarHBondContact O-CB 3.3Å; M85-F89 PolarHBondContact O-N 3.05Å; Q86-F89 WeakPolarHBondContact O-CB 3.22Å; Q86-F89 PolarHBondContact O-N 3.02Å; E87-F89 VanDerWaalsContact C-N 3.35Å; E87-F89 PolarHBondContact O-N 2.75Å; F89-T92 PolarHBondContact O-N 3.48Å; F89-L93 HydrophobicContact CD1-CD1 3.76Å; F89-L93 HydrophobicContact CD2-CD1 4.08Å; F89-L93 HydrophobicContact CE1-CD1 3.3Å; F89-L93 HydrophobicContact CE2-CD1 3.68Å; F89-L93 HydrophobicContact CG-CD1 4.13Å; F89-L93 HydrophobicContact CZ-CD1 3.26Å; F89-L93 PolarHBondContact O-N 3.16Å; F89-F105 AromaticContact CE1-CD1 3.9Å; F89-F105 HydrophobicContact CE1-CD1 3.9Å; F89-F105 AromaticContact CE1-CE1 3.75Å; F89-F105 HydrophobicContact CE1-CE1 3.75Å; F89-F105 HydrophobicContact CE1-CZ 4.27Å; F89-F105 HydrophobicContact CZ-CD1 4.27Å; F89-F105 HydrophobicContact CZ-CE1 4.28Å; F89-F130 AromaticContact CD1-CE1 3.86Å; F89-F130 HydrophobicContact CD1-CE1 3.86Å; F89-F130 HydrophobicContact CD1-CZ 4.2Å; F89-F130 AromaticContact CE1-CE1 3.94Å; F89-F130 HydrophobicContact CE1-CE1 3.94Å; F89-F130 HydrophobicContact CE1-CZ 4.37Å
90	L	97.8	Very high	97.5	Very high	34 Å²	34	48.4 Å²	48.4	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-71.6	-37.4	-179.6	-69.6	-163.7	0	0	0	112.7	Q86 E87 T92 L93 Q94 I97 F105 F130 L133	Q86-L90 PolarHBondContact O-N 3.33Å; E87-L90 PolarHBondContact O-N 3.39Å; L90-T92 VanDerWaalsContact C-N 3.26Å; L90-T92 PolarHBondContact O-N 2.76Å; L90-L93 CarbonylContact O-C 3.49Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L90-Q94 WeakPolarHBondContact O-CA 3.4Å; L90-Q94 WeakPolarHBondContact O-CB 3.45Å; L90-Q94 PolarHBondContact O-N 2.85Å; L90-I97 HydrophobicContact CD2-CD1 4.15Å; L90-F105 HydrophobicContact CD2-CE2 4.15Å; L90-F105 HydrophobicContact CD2-CZ 4.15Å; L90-F130 HydrophobicContact CD2-CD1 4.2Å; L90-F130 HydrophobicContact CD2-CE1 4.08Å; L90-L133 HydrophobicContact CD1-CD1 3.79Å; L90-L133 HydrophobicContact CD2-CD1 3.75Å; L90-L133 HydrophobicContact CG-CD1 4.49Å
91	D	98	Very high	97.5	Very high	81 Å²	81	43.3 Å²	43.3	43%	0.433	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-40.6	174.6	173.5	56	0	0	0	111.7	K45 E87 L93 Q94	K45-D91 WeakPolarHBondContact CD-O 3.07Å; K45-D91 WeakPolarHBondContact CE-O 3.48Å; K45-D91 PolarHBondContact NZ-O 3.46Å; K45-D91 IonicContact NZ-OD1 3.22Å; K45-D91 PolarHBondContact NZ-OD1 2.7Å; E87-D91 WeakPolarHBondContact O-CB 3.35Å; E87-D91 PolarHBondContact O-N 3.42Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.07Å; D91-Q94 WeakPolarHBondContact O-CB 3.33Å
92	T	97.9	Very high	97.6	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.2	-65.7	0	0	0	0	112.1	I42 T43 V48 H88 F89 L90	I42-T92 HydrophobicContact CG2-CG2 4.08Å; T43-T92 HydrophobicContact CG2-CG2 3.67Å; T43-T92 WeakPolarHBondContact O-CG2 3.34Å; V48-T92 HydrophobicContact CG2-CG2 4.2Å; H88-T92 WeakPolarHBondContact O-CB 3.21Å; H88-T92 PolarHBondContact O-N 3.24Å; H88-T92 PolarHBondContact O-OG1 3.32Å; F89-T92 PolarHBondContact O-N 3.48Å; L90-T92 VanDerWaalsContact C-N 3.26Å; L90-T92 PolarHBondContact O-N 2.76Å
93	L	98.1	Very high	97.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-95.4	-3.7	-173	-71.6	157.8	0	0	0	113.5	V48 V63 F89 L90 D91 P95 M96 I97 F105	V48-L93 HydrophobicContact CG2-CD2 3.99Å; V63-L93 HydrophobicContact CG1-CD1 3.93Å; V63-L93 HydrophobicContact CG1-CD2 4.05Å; V63-L93 HydrophobicContact CG2-CD2 4.27Å; F89-L93 HydrophobicContact CD1-CD1 3.76Å; F89-L93 HydrophobicContact CD2-CD1 4.08Å; F89-L93 HydrophobicContact CE1-CD1 3.3Å; F89-L93 HydrophobicContact CE2-CD1 3.68Å; F89-L93 HydrophobicContact CG-CD1 4.13Å; F89-L93 HydrophobicContact CZ-CD1 3.26Å; F89-L93 PolarHBondContact O-N 3.16Å; L90-L93 CarbonylContact O-C 3.49Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-L93 VanDerWaalsContact O-N 3.16Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.07Å; L93-P95 VanDerWaalsContact C-CD 3.41Å; L93-P95 VanDerWaalsContact C-N 3.32Å; L93-M96 WeakPolarHBondContact O-CB 3.45Å; L93-M96 PolarHBondContact O-N 3.2Å; L93-I97 PolarHBondContact O-N 2.5Å; L93-I97 VanDerWaalsContact O-N 3.12Å; L93-F105 HydrophobicContact CD1-CE1 3.87Å; L93-F105 HydrophobicContact CD1-CZ 4.45Å
94	Q	97.9	Very high	97.9	Very high	75 Å²	75	37.1 Å²	37.1	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-47.7	-45.9	178.4	-178	-176.8	24.2	0	0	113	L90 D91 M96 I97 E98	L90-Q94 WeakPolarHBondContact O-CA 3.4Å; L90-Q94 WeakPolarHBondContact O-CB 3.45Å; L90-Q94 PolarHBondContact O-N 2.85Å; D91-Q94 WeakPolarHBondContact O-CB 3.33Å; Q94-M96 VanDerWaalsContact C-N 3.25Å; Q94-M96 PolarHBondContact O-N 2.82Å; Q94-I97 PolarHBondContact O-N 2.91Å; Q94-I97 VanDerWaalsContact O-N 3.16Å; Q94-E98 HydrophobicContact CG-CG 4.12Å; Q94-E98 VanDerWaalsContact CG-OE1 3.25Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.39Å; Q94-E98 PolarHBondContact NE2-OE1 3.09Å; Q94-E98 WeakPolarHBondContact O-CB 3.26Å; Q94-E98 WeakPolarHBondContact O-CG 3.31Å; Q94-E98 PolarHBondContact O-N 2.88Å
95	P	98.4	Very high	97.9	Very high	21 Å²	21	35.9 Å²	35.9	14%	0.136	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-35.1	179.2	-24.7	35.9	0	0	0	113.4	K45 V48 E49 L52 L93 S99	K45-P95 HydrophobicContact CD-CG 4.45Å; K45-P95 HydrophobicContact CG-CG 3.9Å; V48-P95 HydrophobicContact CG1-CB 4.35Å; E49-P95 HydrophobicContact CG-CB 4.1Å; E49-P95 HydrophobicContact CG-CG 3.97Å; L52-P95 HydrophobicContact CD1-CB 3.79Å; L52-P95 WeakPolarHBondContact CD1-O 3.39Å; L93-P95 VanDerWaalsContact C-CD 3.41Å; L93-P95 VanDerWaalsContact C-N 3.32Å; P95-S99 VanDerWaalsContact O-CB 3.25Å; P95-S99 WeakPolarHBondContact O-CB 3.5Å; P95-S99 PolarHBondContact O-N 3.24Å; P95-S99 PolarHBondContact O-OG 3.09Å
96	M	98.3	Very high	98	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-77.6	-33.5	179.8	179.4	-178.7	-70.8	0	0	112.4	L35 V48 W51 L52 F61 V63 L93 Q94 S99 K101 L102	L35-M96 HydrophobicContact CD1-CE 4.12Å; V48-M96 HydrophobicContact CG1-CB 3.76Å; V48-M96 HydrophobicContact CG1-CE 4.23Å; W51-M96 HydrophobicContact CE3-CE 4.41Å; L52-M96 HydrophobicContact CD1-CB 4.33Å; L52-M96 HydrophobicContact CD2-CB 4.15Å; L52-M96 HydrophobicContact CD2-CG 4.17Å; F61-M96 HydrophobicContact CB-CE 3.85Å; F61-M96 HydrophobicContact CB-SD 3.56Å; F61-M96 VanDerWaalsContact CB-SD 3.56Å; F61-M96 HydrophobicContact CD1-CE 3.92Å; F61-M96 HydrophobicContact CD2-CE 3.52Å; F61-M96 HydrophobicContact CD2-CG 4.24Å; F61-M96 HydrophobicContact CD2-SD 3.89Å; F61-M96 HydrophobicContact CE1-CE 4.33Å; F61-M96 HydrophobicContact CE2-CE 3.99Å; F61-M96 HydrophobicContact CG-CE 3.48Å; F61-M96 VanDerWaalsContact CG-CE 3.48Å; F61-M96 HydrophobicContact CG-SD 3.84Å; F61-M96 HydrophobicContact CZ-CE 4.36Å; V63-M96 HydrophobicContact CG2-CE 4.4Å; V63-M96 HydrophobicContact CG2-SD 3.51Å; V63-M96 VanDerWaalsContact CG2-SD 3.51Å; L93-M96 WeakPolarHBondContact O-CB 3.45Å; L93-M96 PolarHBondContact O-N 3.2Å; Q94-M96 VanDerWaalsContact C-N 3.25Å; Q94-M96 PolarHBondContact O-N 2.82Å; M96-S99 PolarHBondContact O-OG 3.47Å; M96-K101 PolarHBondContact O-N 3.09Å; M96-L102 HydrophobicContact CG-CB 4.24Å; M96-L102 PolarHBondContact O-N 3.35Å; M96-L102 HydrophobicContact SD-CD1 4.3Å
97	I	97.9	Very high	98	Very high	50 Å²	50	34.7 Å²	34.7	26%	0.256	18%	0.184	S	C	.	.	H	α-helix	trans	-65.8	-52.5	174	-63	167.3	0	0	0	109.1	L90 L93 Q94 S99 G100 L102 F105 L133	L90-I97 HydrophobicContact CD2-CD1 4.15Å; L93-I97 PolarHBondContact O-N 2.5Å; L93-I97 VanDerWaalsContact O-N 3.12Å; Q94-I97 PolarHBondContact O-N 2.91Å; Q94-I97 VanDerWaalsContact O-N 3.16Å; I97-S99 VanDerWaalsContact C-N 3.31Å; I97-S99 PolarHBondContact O-N 3.44Å; I97-G100 PolarHBondContact O-N 3.01Å; I97-L102 HydrophobicContact CG1-CD2 4.03Å; I97-F105 HydrophobicContact CD1-CE2 4.48Å; I97-F105 HydrophobicContact CD1-CZ 4.1Å; I97-F105 HydrophobicContact CG1-CZ 4.31Å; I97-L133 HydrophobicContact CD1-CD2 4.3Å; I97-L133 HydrophobicContact CG2-CD2 3.94Å
98	E	97.7	Very high	98.1	Very high	139 Å²	139	29.4 Å²	29.4	65%	0.65	16%	0.16	S	C	*	.	H	α-helix	trans	-65.6	-32.8	-177.8	-71	177.2	175.4	0	0	112.6	Q94 G100	Q94-E98 HydrophobicContact CG-CG 4.12Å; Q94-E98 VanDerWaalsContact CG-OE1 3.25Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.39Å; Q94-E98 PolarHBondContact NE2-OE1 3.09Å; Q94-E98 WeakPolarHBondContact O-CB 3.26Å; Q94-E98 WeakPolarHBondContact O-CG 3.31Å; Q94-E98 PolarHBondContact O-N 2.88Å; E98-G100 PolarHBondContact O-N 2.85Å
99	S	97.6	Very high	98.1	Very high	39 Å²	39	25.8 Å²	25.8	27%	0.273	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-4.9	174.6	81.3	0	0	0	0	113.7	P95 M96 I97 K101	P95-S99 VanDerWaalsContact O-CB 3.25Å; P95-S99 WeakPolarHBondContact O-CB 3.5Å; P95-S99 PolarHBondContact O-N 3.24Å; P95-S99 PolarHBondContact O-OG 3.09Å; M96-S99 PolarHBondContact O-OG 3.47Å; I97-S99 VanDerWaalsContact C-N 3.31Å; I97-S99 PolarHBondContact O-N 3.44Å; S99-K101 PolarHBondContact O-N 3.24Å; S99-K101 WeakPolarHBondContact OG-CB 3.49Å; S99-K101 WeakPolarHBondContact OG-CG 3.35Å; S99-K101 PolarHBondContact OG-N 2.86Å
100	G	96.4	Very high	98	Very high	42 Å²	42	26.8 Å²	26.8	43%	0.433	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	17.3	-174.4	0	0	0	0	0	114.3	R60 I97 E98	R60-G100 PolarHBondContact NE-O 2.8Å; R60-G100 VanDerWaalsContact NE-O 3.16Å; I97-G100 PolarHBondContact O-N 3.01Å; E98-G100 PolarHBondContact O-N 2.85Å
101	K	97.8	Very high	97.7	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.065	16%	0.159	C	C	.	.			trans	-93.7	-6	-177.3	-67.3	-172.6	174	70.8	0	113.1	L52 V55 P56 E57 R60 F61 M96 S99 F103	L52-K101 HydrophobicContact CD2-CB 3.99Å; L52-K101 HydrophobicContact CD2-CD 3.84Å; L52-K101 HydrophobicContact CD2-CG 4.39Å; V55-K101 HydrophobicContact CG2-CD 3.94Å; P56-K101 WeakPolarHBondContact O-CE 3.5Å; E57-K101 IonicContact OE1-NZ 2.63Å; E57-K101 IonicContact OE2-NZ 3.57Å; E57-K101 PolarHBondContact OE2-NZ 2.76Å; R60-K101 CarbonylContact C-O 3.5Å; R60-K101 WeakPolarHBondContact CA-O 3.33Å; R60-K101 WeakPolarHBondContact CD-O 3.47Å; F61-K101 HydrophobicContact CD2-CB 4.08Å; F61-K101 HydrophobicContact CE2-CB 4.22Å; F61-K101 PolarHBondContact N-O 3.23Å; M96-K101 PolarHBondContact O-N 3.09Å; S99-K101 PolarHBondContact O-N 3.24Å; S99-K101 WeakPolarHBondContact OG-CB 3.49Å; S99-K101 WeakPolarHBondContact OG-CG 3.35Å; S99-K101 PolarHBondContact OG-N 2.86Å; K101-F103 PolarHBondContact O-N 2.74Å
102	L	98.4	Very high	97.6	Very high	21 Å²	21	30.8 Å²	30.8	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.5	168.7	-177.5	67.5	0	0	0	110.2	V63 M96 I97 C104 F105 P134	V63-L102 HydrophobicContact CB-CD1 4.17Å; V63-L102 HydrophobicContact CG2-CD1 3.82Å; M96-L102 HydrophobicContact CG-CB 4.24Å; M96-L102 PolarHBondContact O-N 3.35Å; M96-L102 HydrophobicContact SD-CD1 4.3Å; I97-L102 HydrophobicContact CG1-CD2 4.03Å; L102-C104 WeakPolarHBondContact CD1-O 3.28Å; L102-F105 HydrophobicContact CD1-CD1 4.19Å; L102-F105 HydrophobicContact CD1-CE1 3.9Å; L102-F105 HydrophobicContact CD1-CZ 4.23Å; L102-F105 HydrophobicContact CD2-CD2 4Å; L102-F105 HydrophobicContact CD2-CE1 4.02Å; L102-F105 HydrophobicContact CD2-CE2 3.48Å; L102-F105 VanDerWaalsContact CD2-CE2 3.48Å; L102-F105 HydrophobicContact CD2-CG 4.49Å; L102-F105 HydrophobicContact CD2-CZ 3.5Å; L102-F105 VanDerWaalsContact CD2-CZ 3.5Å; L102-P134 HydrophobicContact CD2-CG 4.03Å; L102-P134 HydrophobicContact CG-CG 4.33Å
103	F	98.6	Very high	97.6	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-57.8	166.7	-171.5	-96	0	0	0	109.9	L32 R60 F61 V62 K101 P134 F187 L189 E237	L32-F103 HydrophobicContact CD1-CB 3.87Å; L32-F103 HydrophobicContact CD1-CD2 4.23Å; L32-F103 HydrophobicContact CD1-CG 4Å; R60-F103 HydrophobicContact CB-CB 3.88Å; R60-F103 HydrophobicContact CB-CD2 4.35Å; F61-F103 WeakPolarHBondContact O-CB 2.87Å; F61-F103 PolarHBondContact O-N 3.31Å; V62-F103 HydrophobicContact CG2-CB 4.19Å; V62-F103 HydrophobicContact CG2-CD1 3.94Å; V62-F103 HydrophobicContact CG2-CG 4.38Å; K101-F103 PolarHBondContact O-N 2.74Å; F103-P134 WeakPolarHBondContact O-CB 3.48Å; F103-F187 HydrophobicContact CD1-CD2 4.49Å; F103-F187 HydrophobicContact CE1-CB 4.4Å; F103-F187 AromaticContact CE1-CD2 3.93Å; F103-F187 HydrophobicContact CE1-CD2 3.93Å; F103-F187 HydrophobicContact CZ-CB 4.13Å; F103-F187 HydrophobicContact CZ-CD2 4.49Å; F103-L189 HydrophobicContact CE1-CD1 4.28Å; F103-E237 HydrophobicContact CE2-CB 3.84Å; F103-E237 HydrophobicContact CZ-CB 4.25Å
104	C	98.8	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	163	173.1	69.5	0	0	0	0	111.5	V62 V63 L102 P134 F187	V62-C104 CarbonylContact C-O 3.54Å; V62-C104 WeakPolarHBondContact CA-O 3.46Å; V63-C104 PolarHBondContact N-O 3.19Å; L102-C104 WeakPolarHBondContact CD1-O 3.28Å; C104-P134 CarbonylContact C-O 3.55Å; C104-P134 VanDerWaalsContact CA-O 3.28Å; C104-P134 WeakPolarHBondContact CA-O 3.43Å; C104-P134 HydrophobicContact CB-CB 4.04Å; C104-P134 WeakPolarHBondContact CB-O 3.5Å; C104-F187 HydrophobicContact CB-CD2 3.96Å; C104-F187 HydrophobicContact CB-CE2 3.41Å; C104-F187 VanDerWaalsContact CB-CE2 3.41Å; C104-F187 HydrophobicContact CB-CZ 3.95Å
105	F	98.8	Very high	97.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.6	157	-66.3	-57.1	0	0	0	110.3	V63 L65 F89 L90 L93 I97 L102 F130 L133 P134 V135 A136	V63-F105 HydrophobicContact CB-CD1 3.81Å; V63-F105 HydrophobicContact CB-CE1 3.95Å; V63-F105 HydrophobicContact CG1-CD1 4.12Å; V63-F105 HydrophobicContact CG1-CE1 4.13Å; V63-F105 CarbonylContact O-C 3.51Å; V63-F105 VanDerWaalsContact O-CA 3.24Å; V63-F105 WeakPolarHBondContact O-CA 3.44Å; L65-F105 HydrophobicContact CD2-CB 3.69Å; L65-F105 HydrophobicContact CD2-CD1 3.93Å; L65-F105 HydrophobicContact CD2-CG 3.86Å; L65-F105 HydrophobicContact CG-CB 4.21Å; F89-F105 AromaticContact CE1-CD1 3.9Å; F89-F105 HydrophobicContact CE1-CD1 3.9Å; F89-F105 AromaticContact CE1-CE1 3.75Å; F89-F105 HydrophobicContact CE1-CE1 3.75Å; F89-F105 HydrophobicContact CE1-CZ 4.27Å; F89-F105 HydrophobicContact CZ-CD1 4.27Å; F89-F105 HydrophobicContact CZ-CE1 4.28Å; L90-F105 HydrophobicContact CD2-CE2 4.15Å; L90-F105 HydrophobicContact CD2-CZ 4.15Å; L93-F105 HydrophobicContact CD1-CE1 3.87Å; L93-F105 HydrophobicContact CD1-CZ 4.45Å; I97-F105 HydrophobicContact CD1-CE2 4.48Å; I97-F105 HydrophobicContact CD1-CZ 4.1Å; I97-F105 HydrophobicContact CG1-CZ 4.31Å; L102-F105 HydrophobicContact CD1-CD1 4.19Å; L102-F105 HydrophobicContact CD1-CE1 3.9Å; L102-F105 HydrophobicContact CD1-CZ 4.23Å; L102-F105 HydrophobicContact CD2-CD2 4Å; L102-F105 HydrophobicContact CD2-CE1 4.02Å; L102-F105 HydrophobicContact CD2-CE2 3.48Å; L102-F105 VanDerWaalsContact CD2-CE2 3.48Å; L102-F105 HydrophobicContact CD2-CG 4.49Å; L102-F105 HydrophobicContact CD2-CZ 3.5Å; L102-F105 VanDerWaalsContact CD2-CZ 3.5Å; F105-F130 AromaticContact CD2-CD1 3.97Å; F105-F130 HydrophobicContact CD2-CD1 3.97Å; F105-F130 HydrophobicContact CD2-CE1 4.33Å; F105-F130 HydrophobicContact CE2-CD1 4.27Å; F105-L133 HydrophobicContact CD2-CB 4.23Å; F105-L133 HydrophobicContact CE2-CB 4.11Å; F105-L133 HydrophobicContact CE2-CD1 3.95Å; F105-L133 HydrophobicContact CE2-CG 4.44Å; F105-P134 PolarHBondContact N-O 2.81Å; F105-V135 HydrophobicContact CB-CG2 4.26Å; F105-V135 HydrophobicContact CD2-CG2 4.41Å; F105-V135 CarbonylContact O-C 3.53Å; F105-V135 WeakPolarHBondContact O-CA 3.17Å; F105-A136 PolarHBondContact O-N 2.73Å
106	L	98.8	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.3	174.5	172.9	65	0	0	0	110.2	E34 V62 V63 K64 L65 Q108 A136 E138 V165 L189	E34-L106 HydrophobicContact CG-CD2 4.46Å; E34-L106 WeakPolarHBondContact OE1-CD2 3.44Å; V62-L106 HydrophobicContact CG1-CB 3.73Å; V62-L106 HydrophobicContact CG1-CD2 4.41Å; V63-L106 PolarHBondContact O-N 3Å; K64-L106 HydrophobicContact CD-CD2 4.48Å; K64-L106 HydrophobicContact CG-CD2 4.37Å; K64-L106 HydrophobicContact CG-CG 4.49Å; L65-L106 PolarHBondContact N-O 2.9Å; L106-Q108 HydrophobicContact CG-CB 4.32Å; L106-A136 HydrophobicContact CD1-CB 4.42Å; L106-E138 HydrophobicContact CD1-CB 4.18Å; L106-V165 HydrophobicContact CD1-CG2 3.79Å; L106-L189 HydrophobicContact CD1-CD2 4.08Å
107	A	98.6	Very high	97.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	93	169.7	0	0	0	0	0	109.5	L65 T70 F109 L126 V135 A136 I137 E138	L65-A107 HydrophobicContact CD1-CB 3.71Å; L65-A107 HydrophobicContact CG-CB 4.45Å; T70-A107 HydrophobicContact CG2-CB 4.38Å; A107-F109 HydrophobicContact CB-CE2 4.04Å; A107-L126 HydrophobicContact CB-CD2 3.87Å; A107-V135 HydrophobicContact CB-CG1 4.29Å; A107-A136 PolarHBondContact N-O 2.8Å; A107-I137 HydrophobicContact CB-CD1 3.73Å; A107-E138 PolarHBondContact O-N 3.34Å
108	Q	98.2	Very high	97.5	Very high	11 Å²	11	48.3 Å²	48.3	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	105.6	-179.3	-175.1	-155.4	-93.1	0	0	110.9	K64 T70 Q72 L106 E138 R140	K64-Q108 VanDerWaalsContact CE-CD 3.48Å; K64-Q108 VanDerWaalsContact CE-OE1 3.29Å; T70-Q108 WeakPolarHBondContact CB-O 3.47Å; T70-Q108 WeakPolarHBondContact CG2-O 3.12Å; Q72-Q108 PolarHBondContact OE1-O 2.92Å; L106-Q108 HydrophobicContact CG-CB 4.32Å; Q108-E138 HydrophobicContact CB-CB 4.45Å; Q108-E138 HydrophobicContact CG-CB 4.36Å; Q108-E138 HydrophobicContact CG-CG 4.4Å; Q108-R140 VanDerWaalsContact CG-CZ 3.47Å
109	F	98.1	Very high	97.6	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.231	C	C	.	.			trans	-84	149.8	-179.9	-73.2	-85.8	0	0	0	112.6	T70 A107 F113 Y122 L123 L126 I137 E138 L139 R140	T70-F109 HydrophobicContact CG2-CE1 4.48Å; A107-F109 HydrophobicContact CB-CE2 4.04Å; F109-F113 HydrophobicContact CB-CB 3.83Å; F109-F113 HydrophobicContact CB-CD1 3.85Å; F109-F113 HydrophobicContact CB-CG 3.94Å; F109-F113 HydrophobicContact CD1-CB 4.04Å; F109-F113 AromaticContact CD1-CD1 3.6Å; F109-F113 HydrophobicContact CD1-CD1 3.6Å; F109-F113 AromaticContact CD1-CD2 3.53Å; F109-F113 HydrophobicContact CD1-CD2 3.53Å; F109-F113 AromaticContact CD1-CE1 3.84Å; F109-F113 HydrophobicContact CD1-CE1 3.84Å; F109-F113 AromaticContact CD1-CE2 3.77Å; F109-F113 HydrophobicContact CD1-CE2 3.77Å; F109-F113 AromaticContact CD1-CG 3.43Å; F109-F113 HydrophobicContact CD1-CG 3.43Å; F109-F113 VanDerWaalsContact CD1-CG 3.43Å; F109-F113 AromaticContact CD1-CZ 3.91Å; F109-F113 HydrophobicContact CD1-CZ 3.91Å; F109-F113 HydrophobicContact CD2-CD1 4.29Å; F109-F113 HydrophobicContact CD2-CE1 4.29Å; F109-F113 HydrophobicContact CE1-CD1 4.18Å; F109-F113 AromaticContact CE1-CD2 3.85Å; F109-F113 HydrophobicContact CE1-CD2 3.85Å; F109-F113 AromaticContact CE1-CE1 3.93Å; F109-F113 HydrophobicContact CE1-CE1 3.93Å; F109-F113 AromaticContact CE1-CE2 3.58Å; F109-F113 HydrophobicContact CE1-CE2 3.58Å; F109-F113 HydrophobicContact CE1-CG 4.13Å; F109-F113 AromaticContact CE1-CZ 3.62Å; F109-F113 HydrophobicContact CE1-CZ 3.62Å; F109-F113 HydrophobicContact CE2-CE1 4.38Å; F109-F113 HydrophobicContact CG-CB 4.28Å; F109-F113 AromaticContact CG-CD1 3.65Å; F109-F113 HydrophobicContact CG-CD1 3.65Å; F109-F113 HydrophobicContact CG-CD2 4.39Å; F109-F113 HydrophobicContact CG-CE1 4Å; F109-F113 AromaticContact CG-CG 3.85Å; F109-F113 HydrophobicContact CG-CG 3.85Å; F109-F113 HydrophobicContact CZ-CE1 4.2Å; F109-F113 HydrophobicContact CZ-CE2 4.4Å; F109-F113 HydrophobicContact CZ-CZ 4.01Å; F109-Y122 AromaticContact CE1-CD1 3.89Å; F109-Y122 HydrophobicContact CE1-CD1 3.89Å; F109-Y122 AromaticContact CE1-CE1 3.63Å; F109-Y122 HydrophobicContact CE1-CE1 3.63Å; F109-Y122 HydrophobicContact CZ-CD1 4.04Å; F109-Y122 AromaticContact CZ-CE1 3.83Å; F109-Y122 HydrophobicContact CZ-CE1 3.83Å; F109-L123 HydrophobicContact CE2-CD2 3.74Å; F109-L123 HydrophobicContact CZ-CD2 3.89Å; F109-L126 HydrophobicContact CE2-CD2 4.2Å; F109-L126 HydrophobicContact CZ-CD2 4.03Å; F109-I137 HydrophobicContact CD2-CG2 4.08Å; F109-I137 HydrophobicContact CE2-CD1 4.38Å; F109-I137 HydrophobicContact CE2-CG2 4.06Å; F109-E138 PolarHBondContact N-O 3.36Å; F109-L139 HydrophobicContact CD2-CD2 4.4Å; F109-R140 WeakPolarHBondContact O-CD 3.43Å; F109-R140 WeakPolarHBondContact O-CG 3.37Å
110	P	95.3	Very high	97.6	Very high	22 Å²	22	43.5 Å²	43.5	14%	0.143	23%	0.23	C	C	.	.			trans	-78.7	164.9	175.1	36.3	-37.9	0	0	0	111.2	T70 Q72 Q112 F113	T70-P110 WeakPolarHBondContact O-CD 3.12Å; Q72-P110 HydrophobicContact CG-CB 4.16Å; Q72-P110 HydrophobicContact CG-CG 3.89Å; P110-Q112 PolarHBondContact O-N 2.85Å; P110-F113 VanDerWaalsContact O-CB 3.31Å; P110-F113 WeakPolarHBondContact O-CB 3.44Å; P110-F113 PolarHBondContact O-N 3.07Å
111	A	93	Very high	97.7	Very high	46 Å²	46	43.5 Å²	43.5	38%	0.38	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.4	179.6	0	0	0	0	0	114	F113 D141	A111-F113 PolarHBondContact O-N 2.97Å; A111-D141 WeakPolarHBondContact O-CB 3.37Å
112	Q	95.1	Very high	97.7	Very high	153 Å²	153	45.1 Å²	45.1	72%	0.715	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.4	173.4	-65.6	75.4	19.2	0	0	112.8	P110 K114	P110-Q112 PolarHBondContact O-N 2.85Å; Q112-K114 VanDerWaalsContact C-N 3.29Å; Q112-K114 PolarHBondContact O-N 3.01Å
113	F	97.3	Very high	97.7	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.075	23%	0.227	C	C	.	.			trans	-80.2	77.2	177.5	-166.5	-99.6	0	0	0	110.1	F109 P110 A111 N119 Y122 L123 L139 W144	F109-F113 HydrophobicContact CB-CB 3.83Å; F109-F113 HydrophobicContact CB-CD1 3.85Å; F109-F113 HydrophobicContact CB-CG 3.94Å; F109-F113 HydrophobicContact CD1-CB 4.04Å; F109-F113 AromaticContact CD1-CD1 3.6Å; F109-F113 HydrophobicContact CD1-CD1 3.6Å; F109-F113 AromaticContact CD1-CD2 3.53Å; F109-F113 HydrophobicContact CD1-CD2 3.53Å; F109-F113 AromaticContact CD1-CE1 3.84Å; F109-F113 HydrophobicContact CD1-CE1 3.84Å; F109-F113 AromaticContact CD1-CE2 3.77Å; F109-F113 HydrophobicContact CD1-CE2 3.77Å; F109-F113 AromaticContact CD1-CG 3.43Å; F109-F113 HydrophobicContact CD1-CG 3.43Å; F109-F113 VanDerWaalsContact CD1-CG 3.43Å; F109-F113 AromaticContact CD1-CZ 3.91Å; F109-F113 HydrophobicContact CD1-CZ 3.91Å; F109-F113 HydrophobicContact CD2-CD1 4.29Å; F109-F113 HydrophobicContact CD2-CE1 4.29Å; F109-F113 HydrophobicContact CE1-CD1 4.18Å; F109-F113 AromaticContact CE1-CD2 3.85Å; F109-F113 HydrophobicContact CE1-CD2 3.85Å; F109-F113 AromaticContact CE1-CE1 3.93Å; F109-F113 HydrophobicContact CE1-CE1 3.93Å; F109-F113 AromaticContact CE1-CE2 3.58Å; F109-F113 HydrophobicContact CE1-CE2 3.58Å; F109-F113 HydrophobicContact CE1-CG 4.13Å; F109-F113 AromaticContact CE1-CZ 3.62Å; F109-F113 HydrophobicContact CE1-CZ 3.62Å; F109-F113 HydrophobicContact CE2-CE1 4.38Å; F109-F113 HydrophobicContact CG-CB 4.28Å; F109-F113 AromaticContact CG-CD1 3.65Å; F109-F113 HydrophobicContact CG-CD1 3.65Å; F109-F113 HydrophobicContact CG-CD2 4.39Å; F109-F113 HydrophobicContact CG-CE1 4Å; F109-F113 AromaticContact CG-CG 3.85Å; F109-F113 HydrophobicContact CG-CG 3.85Å; F109-F113 HydrophobicContact CZ-CE1 4.2Å; F109-F113 HydrophobicContact CZ-CE2 4.4Å; F109-F113 HydrophobicContact CZ-CZ 4.01Å; P110-F113 VanDerWaalsContact O-CB 3.31Å; P110-F113 WeakPolarHBondContact O-CB 3.44Å; P110-F113 PolarHBondContact O-N 3.07Å; A111-F113 PolarHBondContact O-N 2.97Å; F113-N119 HydrophobicContact CD1-CB 4.42Å; F113-N119 HydrophobicContact CD2-CB 4.1Å; F113-N119 VanDerWaalsContact CD2-CG 3.5Å; F113-N119 WeakPolarHBondContact CD2-OD1 3.35Å; F113-N119 HydrophobicContact CE1-CB 3.96Å; F113-N119 HydrophobicContact CE2-CB 3.59Å; F113-N119 VanDerWaalsContact CE2-OD1 3.29Å; F113-N119 WeakPolarHBondContact CE2-OD1 3.24Å; F113-N119 HydrophobicContact CG-CB 4.5Å; F113-N119 HydrophobicContact CZ-CB 3.52Å; F113-N119 WeakPolarHBondContact CZ-O 3.34Å; F113-Y122 AromaticContact CE2-CD1 3.8Å; F113-Y122 HydrophobicContact CE2-CD1 3.8Å; F113-Y122 HydrophobicContact CE2-CG 4.31Å; F113-Y122 AromaticContact CZ-CD1 3.92Å; F113-Y122 HydrophobicContact CZ-CD1 3.92Å; F113-L123 HydrophobicContact CE1-CD1 4.3Å; F113-L123 HydrophobicContact CE1-CD2 4.15Å; F113-L123 HydrophobicContact CE1-CG 4.17Å; F113-L123 HydrophobicContact CZ-CD2 4.24Å; F113-L123 HydrophobicContact CZ-CG 4.11Å; F113-L139 HydrophobicContact CD1-CD2 4.01Å; F113-L139 HydrophobicContact CE1-CD2 4.09Å; F113-W144 AromaticContact CD1-CZ2 3.88Å; F113-W144 HydrophobicContact CD1-CZ2 3.88Å; F113-W144 HydrophobicContact CE1-CH2 4.32Å; F113-W144 AromaticContact CE1-CZ2 3.61Å; F113-W144 HydrophobicContact CE1-CZ2 3.61Å; F113-W144 HydrophobicContact CZ-CZ2 4.49Å; F113-W144 PolarHBondContact O-NE1 3.05Å
114	K	97.6	Very high	97.7	Very high	108 Å²	108	48 Å²	48	47%	0.47	25%	0.245	S	C	.	.			trans	-81.2	162.2	-177.9	-60.3	-169.8	172.3	-175.6	0	112.8	Q112 T116 N119 D141 W144	Q112-K114 VanDerWaalsContact C-N 3.29Å; Q112-K114 PolarHBondContact O-N 3.01Å; K114-T116 HydrophobicContact CB-CG2 4.28Å; K114-T116 PolarHBondContact O-N 2.79Å; K114-N119 PolarHBondContact N-ND2 3.47Å; K114-N119 WeakPolarHBondContact O-CB 3.49Å; K114-N119 PolarHBondContact O-ND2 2.76Å; K114-D141 HydrophobicContact CG-CB 4.47Å; K114-W144 VanDerWaalsContact C-NE1 3.33Å; K114-W144 WeakPolarHBondContact O-CZ2 3.29Å
115	C	97.8	Very high	97.6	Very high	28 Å²	28	50.7 Å²	50.7	19%	0.189	26%	0.262	C	S	.	.	S	Bend	trans	-67.8	92.1	173.3	-174.4	0	0	0	0	110.4	S143 W144	C115-S143 WeakPolarHBondContact CB-O 3.43Å; C115-S143 PolarHBondContact N-OG 3.26Å; C115-W144 HydrophobicContact CB-CB 4.5Å; C115-W144 HydrophobicContact CB-CD2 3.61Å; C115-W144 HydrophobicContact CB-CE3 3.85Å; C115-W144 HydrophobicContact CB-CG 3.9Å; C115-W144 HydrophobicContact CB-CZ2 4.44Å; C115-W144 HydrophobicContact CB-CZ3 4.37Å
116	T	98.1	Very high	97.6	Very high	53 Å²	53	50.7 Å²	50.7	33%	0.325	26%	0.262	S	S	.	.			trans	-132.5	161.2	179.5	61.3	0	0	0	0	109.2	K114 E118 N119 V120	K114-T116 HydrophobicContact CB-CG2 4.28Å; K114-T116 PolarHBondContact O-N 2.79Å; T116-E118 WeakPolarHBondContact CB-OE2 3.4Å; T116-E118 PolarHBondContact O-N 3.47Å; T116-N119 PolarHBondContact O-N 3.16Å; T116-N119 WeakPolarHBondContact OG1-CB 3.45Å; T116-N119 VanDerWaalsContact OG1-CG 3.32Å; T116-N119 PolarHBondContact OG1-N 3.22Å; T116-N119 PolarHBondContact OG1-ND2 3.48Å; T116-V120 WeakPolarHBondContact O-CG2 3.5Å; T116-V120 PolarHBondContact O-N 3.18Å
117	K	97.9	Very high	97.6	Very high	180 Å²	180	52 Å²	52	78%	0.783	27%	0.266	S	S	*	.	H	α-helix	trans	-61.5	-38.7	179.8	-70.3	-176.4	179.2	-179.8	0	111.4	V120 A121	K117-V120 PolarHBondContact O-N 3.19Å; K117-A121 PolarHBondContact O-N 3.34Å
118	E	98.2	Very high	97.5	Very high	134 Å²	134	58.4 Å²	58.4	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-63.4	-44.7	179.2	-61.7	70.9	-156.2	0	0	110.9	T116 A121 Y122	T116-E118 WeakPolarHBondContact CB-OE2 3.4Å; T116-E118 PolarHBondContact O-N 3.47Å; E118-A121 PolarHBondContact O-N 3.39Å; E118-Y122 PolarHBondContact O-N 3.19Å
119	N	98.4	Very high	97.5	Very high	35 Å²	35	58.7 Å²	58.7	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-74	-30.5	178.5	-71.8	-17.2	0	0	0	112.8	F113 K114 T116 Y122 L123 W144	F113-N119 HydrophobicContact CD1-CB 4.42Å; F113-N119 HydrophobicContact CD2-CB 4.1Å; F113-N119 VanDerWaalsContact CD2-CG 3.5Å; F113-N119 WeakPolarHBondContact CD2-OD1 3.35Å; F113-N119 HydrophobicContact CE1-CB 3.96Å; F113-N119 HydrophobicContact CE2-CB 3.59Å; F113-N119 VanDerWaalsContact CE2-OD1 3.29Å; F113-N119 WeakPolarHBondContact CE2-OD1 3.24Å; F113-N119 HydrophobicContact CG-CB 4.5Å; F113-N119 HydrophobicContact CZ-CB 3.52Å; F113-N119 WeakPolarHBondContact CZ-O 3.34Å; K114-N119 PolarHBondContact N-ND2 3.47Å; K114-N119 WeakPolarHBondContact O-CB 3.49Å; K114-N119 PolarHBondContact O-ND2 2.76Å; T116-N119 PolarHBondContact O-N 3.16Å; T116-N119 WeakPolarHBondContact OG1-CB 3.45Å; T116-N119 VanDerWaalsContact OG1-CG 3.32Å; T116-N119 PolarHBondContact OG1-N 3.22Å; T116-N119 PolarHBondContact OG1-ND2 3.48Å; N119-Y122 PolarHBondContact O-N 3.24Å; N119-L123 WeakPolarHBondContact O-CG 3.37Å; N119-L123 PolarHBondContact O-N 3.36Å; N119-L123 VanDerWaalsContact O-N 3.15Å; N119-W144 HydrophobicContact CB-CH2 4.36Å; N119-W144 HydrophobicContact CB-CZ2 4.01Å
120	V	98.4	Very high	97.5	Very high	41 Å²	41	58.7 Å²	58.7	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-48.8	169.9	168.7	0	0	0	0	110.2	T116 K117 Y122 L123 E124 W144 L156	T116-V120 WeakPolarHBondContact O-CG2 3.5Å; T116-V120 PolarHBondContact O-N 3.18Å; K117-V120 PolarHBondContact O-N 3.19Å; V120-Y122 VanDerWaalsContact C-N 3.26Å; V120-Y122 PolarHBondContact O-N 3.01Å; V120-L123 WeakPolarHBondContact O-CB 3.24Å; V120-L123 PolarHBondContact O-N 2.95Å; V120-L123 VanDerWaalsContact O-N 3.09Å; V120-E124 PolarHBondContact O-N 2.88Å; V120-W144 HydrophobicContact CG2-CH2 3.84Å; V120-W144 HydrophobicContact CG2-CZ3 3.87Å; V120-L156 HydrophobicContact CB-CD2 4.45Å; V120-L156 HydrophobicContact CG1-CD1 4.17Å; V120-L156 HydrophobicContact CG1-CD2 3.93Å; V120-L156 HydrophobicContact CG2-CD2 4.17Å
121	A	98.3	Very high	97.3	Very high	43 Å²	43	62.6 Å²	62.6	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-36	175.5	0	0	0	0	0	112.2	K117 E118 L123 E124 T125	K117-A121 PolarHBondContact O-N 3.34Å; E118-A121 PolarHBondContact O-N 3.39Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-L123 PolarHBondContact O-N 3.01Å; A121-E124 WeakPolarHBondContact O-CB 3.27Å; A121-E124 PolarHBondContact O-N 3.35Å; A121-E124 VanDerWaalsContact O-N 3.14Å; A121-T125 PolarHBondContact O-N 3.42Å; A121-T125 PolarHBondContact O-OG1 3.07Å
122	Y	98.3	Very high	97.2	Very high	49 Å²	49	67.7 Å²	67.7	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-35.7	175	-173.3	-97.1	0	0	0	113.1	F69 M82 F109 F113 E118 N119 V120 E124 T125 L126	F69-Y122 VanDerWaalsContact C-OH 3.29Å; F69-Y122 WeakPolarHBondContact O-CE1 3.33Å; F69-Y122 PolarHBondContact O-OH 3.07Å; M82-Y122 HydrophobicContact CE-CE2 3.76Å; M82-Y122 VanDerWaalsContact CE-OH 3.25Å; M82-Y122 WeakPolarHBondContact CE-OH 3.45Å; M82-Y122 HydrophobicContact SD-CE2 4.36Å; F109-Y122 AromaticContact CE1-CD1 3.89Å; F109-Y122 HydrophobicContact CE1-CD1 3.89Å; F109-Y122 AromaticContact CE1-CE1 3.63Å; F109-Y122 HydrophobicContact CE1-CE1 3.63Å; F109-Y122 HydrophobicContact CZ-CD1 4.04Å; F109-Y122 AromaticContact CZ-CE1 3.83Å; F109-Y122 HydrophobicContact CZ-CE1 3.83Å; F113-Y122 AromaticContact CE2-CD1 3.8Å; F113-Y122 HydrophobicContact CE2-CD1 3.8Å; F113-Y122 HydrophobicContact CE2-CG 4.31Å; F113-Y122 AromaticContact CZ-CD1 3.92Å; F113-Y122 HydrophobicContact CZ-CD1 3.92Å; E118-Y122 PolarHBondContact O-N 3.19Å; N119-Y122 PolarHBondContact O-N 3.24Å; V120-Y122 VanDerWaalsContact C-N 3.26Å; V120-Y122 PolarHBondContact O-N 3.01Å; Y122-E124 VanDerWaalsContact C-N 3.29Å; Y122-E124 PolarHBondContact O-N 3.4Å; Y122-T125 WeakPolarHBondContact O-CB 3.4Å; Y122-T125 PolarHBondContact O-N 3.07Å; Y122-L126 WeakPolarHBondContact O-CB 3.47Å; Y122-L126 PolarHBondContact O-N 2.98Å
123	L	98.4	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-32.9	174.8	-67.5	168.7	0	0	0	111.7	F109 F113 N119 V120 A121 L126 R127 I137 W144 L156 M157 L160 F162	F109-L123 HydrophobicContact CE2-CD2 3.74Å; F109-L123 HydrophobicContact CZ-CD2 3.89Å; F113-L123 HydrophobicContact CE1-CD1 4.3Å; F113-L123 HydrophobicContact CE1-CD2 4.15Å; F113-L123 HydrophobicContact CE1-CG 4.17Å; F113-L123 HydrophobicContact CZ-CD2 4.24Å; F113-L123 HydrophobicContact CZ-CG 4.11Å; N119-L123 WeakPolarHBondContact O-CG 3.37Å; N119-L123 PolarHBondContact O-N 3.36Å; N119-L123 VanDerWaalsContact O-N 3.15Å; V120-L123 WeakPolarHBondContact O-CB 3.24Å; V120-L123 PolarHBondContact O-N 2.95Å; V120-L123 VanDerWaalsContact O-N 3.09Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-L123 PolarHBondContact O-N 3.01Å; L123-L126 PolarHBondContact O-N 3.4Å; L123-R127 PolarHBondContact O-N 3.01Å; L123-I137 HydrophobicContact CD2-CD1 4.33Å; L123-I137 HydrophobicContact CD2-CG2 4.08Å; L123-W144 HydrophobicContact CD1-CH2 3.65Å; L123-W144 HydrophobicContact CD1-CZ2 4.35Å; L123-W144 HydrophobicContact CD1-CZ3 4.04Å; L123-L156 HydrophobicContact CD1-CD2 3.94Å; L123-M157 HydrophobicContact CD1-CE 3.82Å; L123-L160 HydrophobicContact CB-CD1 4.18Å; L123-F162 HydrophobicContact CB-CE2 4.49Å; L123-F162 WeakPolarHBondContact O-CE2 3.49Å
124	E	97.9	Very high	97.4	Very high	88 Å²	88	62.9 Å²	62.9	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-47.3	171.9	-58.8	172.3	159.1	0	0	110.5	V120 A121 Y122 L126 R127 E128 L160	V120-E124 PolarHBondContact O-N 2.88Å; A121-E124 WeakPolarHBondContact O-CB 3.27Å; A121-E124 PolarHBondContact O-N 3.35Å; A121-E124 VanDerWaalsContact O-N 3.14Å; Y122-E124 VanDerWaalsContact C-N 3.29Å; Y122-E124 PolarHBondContact O-N 3.4Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 3.02Å; E124-R127 WeakPolarHBondContact O-CA 3.49Å; E124-R127 WeakPolarHBondContact O-CB 3.45Å; E124-R127 PolarHBondContact O-N 3.34Å; E124-E128 PolarHBondContact O-N 3.4Å; E124-L160 HydrophobicContact CG-CD1 3.97Å; E124-L160 HydrophobicContact CG-CD2 4.18Å
125	T	97.7	Very high	97.5	Very high	55 Å²	55	57.8 Å²	57.8	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-57.8	-41.1	172.7	-54.6	0	0	0	0	112	A121 Y122 R127 E128 L129	A121-T125 PolarHBondContact O-N 3.42Å; A121-T125 PolarHBondContact O-OG1 3.07Å; Y122-T125 WeakPolarHBondContact O-CB 3.4Å; Y122-T125 PolarHBondContact O-N 3.07Å; T125-R127 VanDerWaalsContact C-N 3.27Å; T125-R127 PolarHBondContact O-N 3.39Å; T125-E128 PolarHBondContact O-N 2.85Å; T125-L129 HydrophobicContact CG2-CD1 4.35Å; T125-L129 WeakPolarHBondContact O-CG 3.49Å; T125-L129 PolarHBondContact O-N 2.84Å
126	L	98.1	Very high	97.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-36.2	176.6	-172	69.9	0	0	0	111.3	L65 F69 A107 F109 Y122 L123 E124 L129 F130 I137 F162	L65-L126 HydrophobicContact CD1-CD1 4.25Å; F69-L126 HydrophobicContact CB-CD1 4.35Å; A107-L126 HydrophobicContact CB-CD2 3.87Å; F109-L126 HydrophobicContact CE2-CD2 4.2Å; F109-L126 HydrophobicContact CZ-CD2 4.03Å; Y122-L126 WeakPolarHBondContact O-CB 3.47Å; Y122-L126 PolarHBondContact O-N 2.98Å; L123-L126 PolarHBondContact O-N 3.4Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 3.02Å; L126-L129 PolarHBondContact O-N 3.09Å; L126-F130 HydrophobicContact CD1-CD2 3.82Å; L126-F130 HydrophobicContact CD1-CE2 3.71Å; L126-F130 HydrophobicContact CG-CD2 4.31Å; L126-F130 WeakPolarHBondContact O-CD2 3.41Å; L126-F130 PolarHBondContact O-N 2.79Å; L126-I137 HydrophobicContact CD2-CD1 3.72Å; L126-F162 HydrophobicContact CB-CZ 4.4Å; L126-F162 HydrophobicContact CD2-CZ 4.39Å; L126-F162 HydrophobicContact CG-CZ 4.42Å
127	R	97.8	Very high	97.5	Very high	27 Å²	27	53.9 Å²	53.9	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-43.4	174.8	-179	46.8	54.4	173.7	18.5	111.1	L123 E124 T125 L129 F130 N131 L133 L160 N161 F162	L123-R127 PolarHBondContact O-N 3.01Å; E124-R127 WeakPolarHBondContact O-CA 3.49Å; E124-R127 WeakPolarHBondContact O-CB 3.45Å; E124-R127 PolarHBondContact O-N 3.34Å; T125-R127 VanDerWaalsContact C-N 3.27Å; T125-R127 PolarHBondContact O-N 3.39Å; R127-L129 VanDerWaalsContact C-N 3.26Å; R127-L129 PolarHBondContact O-N 2.76Å; R127-F130 CarbonylContact O-C 3.54Å; R127-F130 PolarHBondContact O-N 3.24Å; R127-N131 VanDerWaalsContact CD-O 3.26Å; R127-N131 WeakPolarHBondContact CD-O 3.32Å; R127-N131 PolarHBondContact NH1-O 2.77Å; R127-N131 WeakPolarHBondContact O-CA 3.43Å; R127-N131 PolarHBondContact O-N 3.31Å; R127-L133 PolarHBondContact NH1-O 2.93Å; R127-L160 HydrophobicContact CB-CB 4.45Å; R127-L160 HydrophobicContact CB-CD2 4.34Å; R127-L160 WeakPolarHBondContact CD-O 3.15Å; R127-L160 HydrophobicContact CG-CB 4.42Å; R127-L160 HydrophobicContact CG-CD2 4.41Å; R127-L160 PolarHBondContact NE-O 3.01Å; R127-L160 PolarHBondContact NH2-O 3.14Å; R127-N161 PolarHBondContact NH2-O 3.32Å; R127-F162 HydrophobicContact CB-CE2 3.96Å; R127-F162 HydrophobicContact CB-CZ 3.67Å; R127-F162 VanDerWaalsContact NH2-CG 3.34Å
128	E	97.4	Very high	97.6	Very high	136 Å²	136	45.3 Å²	45.3	64%	0.636	24%	0.237	S	C	*	.	H	α-helix	trans	-59.6	-37.9	175.4	-66.5	174.6	175.2	0	0	112.3	E124 T125 F130 N131	E124-E128 PolarHBondContact O-N 3.4Å; T125-E128 PolarHBondContact O-N 2.85Å; E128-F130 PolarHBondContact O-N 3.43Å; E128-N131 PolarHBondContact O-OD1 2.91Å
129	L	97.8	Very high	97.6	Very high	17 Å²	17	39 Å²	39	9%	0.089	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-31.1	177.7	-72.4	171.7	0	0	0	113.4	F69 M82 Q86 T125 L126 R127	F69-L129 HydrophobicContact CD1-CD1 4.37Å; F69-L129 HydrophobicContact CE1-CD1 4.36Å; M82-L129 HydrophobicContact CB-CD1 4.38Å; M82-L129 HydrophobicContact CE-CD1 3.68Å; Q86-L129 HydrophobicContact CB-CD2 4.05Å; Q86-L129 VanDerWaalsContact CD-O 3.31Å; Q86-L129 HydrophobicContact CG-CB 4.16Å; Q86-L129 HydrophobicContact CG-CD2 4.17Å; Q86-L129 VanDerWaalsContact CG-O 3.28Å; Q86-L129 WeakPolarHBondContact CG-O 3.12Å; Q86-L129 PolarHBondContact NE2-O 3.25Å; T125-L129 HydrophobicContact CG2-CD1 4.35Å; T125-L129 WeakPolarHBondContact O-CG 3.49Å; T125-L129 PolarHBondContact O-N 2.84Å; L126-L129 PolarHBondContact O-N 3.09Å; R127-L129 VanDerWaalsContact C-N 3.26Å; R127-L129 PolarHBondContact O-N 2.76Å
130	F	97.8	Very high	97.5	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-115.2	3.8	-175.4	-70.1	-87.8	0	0	0	114.2	L65 F69 F89 L90 F105 L126 R127 E128 D132 L133 V135	L65-F130 HydrophobicContact CD1-CE2 3.93Å; L65-F130 HydrophobicContact CD1-CZ 3.94Å; L65-F130 HydrophobicContact CD2-CE1 3.66Å; L65-F130 HydrophobicContact CD2-CE2 4.35Å; L65-F130 HydrophobicContact CD2-CZ 3.55Å; L65-F130 HydrophobicContact CG-CZ 4.4Å; F69-F130 AromaticContact CD1-CE2 3.85Å; F69-F130 HydrophobicContact CD1-CE2 3.85Å; F69-F130 HydrophobicContact CD1-CZ 4.14Å; F69-F130 HydrophobicContact CD2-CZ 4.23Å; F69-F130 AromaticContact CE1-CE2 3.99Å; F69-F130 HydrophobicContact CE1-CE2 3.99Å; F69-F130 HydrophobicContact CE1-CZ 4.03Å; F69-F130 HydrophobicContact CE2-CZ 4.12Å; F69-F130 HydrophobicContact CG-CE2 4.22Å; F69-F130 HydrophobicContact CG-CZ 4.26Å; F69-F130 HydrophobicContact CZ-CE2 4.45Å; F69-F130 HydrophobicContact CZ-CZ 4.03Å; F89-F130 AromaticContact CD1-CE1 3.86Å; F89-F130 HydrophobicContact CD1-CE1 3.86Å; F89-F130 HydrophobicContact CD1-CZ 4.2Å; F89-F130 AromaticContact CE1-CE1 3.94Å; F89-F130 HydrophobicContact CE1-CE1 3.94Å; F89-F130 HydrophobicContact CE1-CZ 4.37Å; L90-F130 HydrophobicContact CD2-CD1 4.2Å; L90-F130 HydrophobicContact CD2-CE1 4.08Å; F105-F130 AromaticContact CD2-CD1 3.97Å; F105-F130 HydrophobicContact CD2-CD1 3.97Å; F105-F130 HydrophobicContact CD2-CE1 4.33Å; F105-F130 HydrophobicContact CE2-CD1 4.27Å; L126-F130 HydrophobicContact CD1-CD2 3.82Å; L126-F130 HydrophobicContact CD1-CE2 3.71Å; L126-F130 HydrophobicContact CG-CD2 4.31Å; L126-F130 WeakPolarHBondContact O-CD2 3.41Å; L126-F130 PolarHBondContact O-N 2.79Å; R127-F130 CarbonylContact O-C 3.54Å; R127-F130 PolarHBondContact O-N 3.24Å; E128-F130 PolarHBondContact O-N 3.43Å; F130-D132 PolarHBondContact O-N 2.72Å; F130-L133 HydrophobicContact CD1-CD1 4.43Å; F130-L133 WeakPolarHBondContact O-CB 3.44Å; F130-L133 WeakPolarHBondContact O-CG 3.18Å; F130-L133 PolarHBondContact O-N 3.01Å; F130-V135 HydrophobicContact CB-CG2 3.71Å; F130-V135 HydrophobicContact CG-CG2 4.2Å
131	N	91.6	Very high	97.3	Very high	104 Å²	104	38.1 Å²	38.1	56%	0.556	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	33.9	-123.5	177.1	-70.5	-40.7	0	0	0	113.8	R127 E128 L133	R127-N131 VanDerWaalsContact CD-O 3.26Å; R127-N131 WeakPolarHBondContact CD-O 3.32Å; R127-N131 PolarHBondContact NH1-O 2.77Å; R127-N131 WeakPolarHBondContact O-CA 3.43Å; R127-N131 PolarHBondContact O-N 3.31Å; E128-N131 PolarHBondContact O-OD1 2.91Å; N131-L133 PolarHBondContact O-N 2.87Å
132	D	91.1	Very high	97.2	Very high	152 Å²	152	41.6 Å²	41.6	81%	0.813	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	5.3	-176.3	-64.7	-44.8	0	0	0	114.1	F130	F130-D132 PolarHBondContact O-N 2.72Å
133	L	98.2	Very high	97.1	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	21%	0.205	C	C	.	.	S	Bend	trans	-69.6	146.6	179.9	-61.4	164.3	0	0	0	110.4	L90 I97 F105 R127 F130 N131 V135	L90-L133 HydrophobicContact CD1-CD1 3.79Å; L90-L133 HydrophobicContact CD2-CD1 3.75Å; L90-L133 HydrophobicContact CG-CD1 4.49Å; I97-L133 HydrophobicContact CD1-CD2 4.3Å; I97-L133 HydrophobicContact CG2-CD2 3.94Å; F105-L133 HydrophobicContact CD2-CB 4.23Å; F105-L133 HydrophobicContact CE2-CB 4.11Å; F105-L133 HydrophobicContact CE2-CD1 3.95Å; F105-L133 HydrophobicContact CE2-CG 4.44Å; R127-L133 PolarHBondContact NH1-O 2.93Å; F130-L133 HydrophobicContact CD1-CD1 4.43Å; F130-L133 WeakPolarHBondContact O-CB 3.44Å; F130-L133 WeakPolarHBondContact O-CG 3.18Å; F130-L133 PolarHBondContact O-N 3.01Å; N131-L133 PolarHBondContact O-N 2.87Å; L133-V135 PolarHBondContact O-N 2.85Å; L133-V135 VanDerWaalsContact O-N 3.12Å
134	P	98.4	Very high	97.1	Very high	35 Å²	35	41 Å²	41	23%	0.227	21%	0.206	C	C	.	.			trans	-68.6	112.1	178.1	26.6	-32.8	0	0	0	109.4	L102 F103 C104 F105 F187	L102-P134 HydrophobicContact CD2-CG 4.03Å; L102-P134 HydrophobicContact CG-CG 4.33Å; F103-P134 WeakPolarHBondContact O-CB 3.48Å; C104-P134 CarbonylContact C-O 3.55Å; C104-P134 VanDerWaalsContact CA-O 3.28Å; C104-P134 WeakPolarHBondContact CA-O 3.43Å; C104-P134 HydrophobicContact CB-CB 4.04Å; C104-P134 WeakPolarHBondContact CB-O 3.5Å; F105-P134 PolarHBondContact N-O 2.81Å; P134-F187 HydrophobicContact CB-CD1 3.99Å; P134-F187 HydrophobicContact CB-CE1 3.5Å; P134-F187 HydrophobicContact CB-CE2 4.45Å; P134-F187 HydrophobicContact CB-CZ 3.77Å
135	V	98.8	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.4	177.9	-176.9	0	0	0	0	110.3	F105 A107 F130 L133 I137 F162 S163	F105-V135 HydrophobicContact CB-CG2 4.26Å; F105-V135 HydrophobicContact CD2-CG2 4.41Å; F105-V135 CarbonylContact O-C 3.53Å; F105-V135 WeakPolarHBondContact O-CA 3.17Å; A107-V135 HydrophobicContact CB-CG1 4.29Å; F130-V135 HydrophobicContact CB-CG2 3.71Å; F130-V135 HydrophobicContact CG-CG2 4.2Å; L133-V135 PolarHBondContact O-N 2.85Å; L133-V135 VanDerWaalsContact O-N 3.12Å; V135-I137 HydrophobicContact CG1-CD1 3.85Å; V135-F162 HydrophobicContact CB-CD1 3.67Å; V135-F162 HydrophobicContact CB-CE1 3.62Å; V135-F162 HydrophobicContact CG1-CD1 3.75Å; V135-F162 HydrophobicContact CG1-CE1 3.58Å; V135-F162 HydrophobicContact CG2-CE1 4.3Å; V135-S163 PolarHBondContact O-N 2.63Å
136	A	98.9	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.7	171.5	0	0	0	0	0	110.4	F105 L106 A107 S163 V165 F187 L189	F105-A136 PolarHBondContact O-N 2.73Å; L106-A136 HydrophobicContact CD1-CB 4.42Å; A107-A136 PolarHBondContact N-O 2.8Å; A136-S163 CarbonylContact C-O 3.47Å; A136-S163 WeakPolarHBondContact CA-O 3.45Å; A136-V165 HydrophobicContact CB-CG2 3.67Å; A136-F187 HydrophobicContact CB-CE2 4.16Å; A136-L189 HydrophobicContact CB-CB 4.24Å; A136-L189 HydrophobicContact CB-CD2 3.89Å
137	I	98.9	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.8	-179.5	-55.2	-57.8	0	0	0	109.2	A107 F109 L123 L126 V135 L139 M157 F162 S163 V165	A107-I137 HydrophobicContact CB-CD1 3.73Å; F109-I137 HydrophobicContact CD2-CG2 4.08Å; F109-I137 HydrophobicContact CE2-CD1 4.38Å; F109-I137 HydrophobicContact CE2-CG2 4.06Å; L123-I137 HydrophobicContact CD2-CD1 4.33Å; L123-I137 HydrophobicContact CD2-CG2 4.08Å; L126-I137 HydrophobicContact CD2-CD1 3.72Å; V135-I137 HydrophobicContact CG1-CD1 3.85Å; I137-L139 HydrophobicContact CG2-CD2 3.77Å; I137-L139 HydrophobicContact CG2-CG 3.93Å; I137-M157 HydrophobicContact CB-SD 3.96Å; I137-M157 HydrophobicContact CG1-SD 3.95Å; I137-M157 HydrophobicContact CG2-SD 4.33Å; I137-F162 HydrophobicContact CD1-CD1 3.54Å; I137-F162 HydrophobicContact CD1-CD2 4.33Å; I137-F162 HydrophobicContact CD1-CE1 3.71Å; I137-F162 HydrophobicContact CD1-CE2 4.4Å; I137-F162 HydrophobicContact CD1-CG 3.96Å; I137-F162 HydrophobicContact CD1-CZ 4.14Å; I137-F162 HydrophobicContact CG1-CB 3.7Å; I137-F162 HydrophobicContact CG1-CD1 3.5Å; I137-F162 VanDerWaalsContact CG1-CD1 3.5Å; I137-F162 HydrophobicContact CG1-CD2 3.9Å; I137-F162 HydrophobicContact CG1-CE1 4.15Å; I137-F162 HydrophobicContact CG1-CE2 4.44Å; I137-F162 HydrophobicContact CG1-CG 3.43Å; I137-F162 VanDerWaalsContact CG1-CG 3.43Å; I137-S163 PolarHBondContact N-O 2.96Å; I137-V165 WeakPolarHBondContact O-CG2 3.48Å; I137-V165 PolarHBondContact O-N 3.15Å
138	E	98.7	Very high	96.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.4	172.7	-175.3	-175.4	149.2	0	0	110.3	L106 A107 Q108 F109 R140 V165 V167 R191 H193	L106-E138 HydrophobicContact CD1-CB 4.18Å; A107-E138 PolarHBondContact O-N 3.34Å; Q108-E138 HydrophobicContact CB-CB 4.45Å; Q108-E138 HydrophobicContact CG-CB 4.36Å; Q108-E138 HydrophobicContact CG-CG 4.4Å; F109-E138 PolarHBondContact N-O 3.36Å; E138-R140 HydrophobicContact CG-CG 4.29Å; E138-R140 IonicContact OE1-CZ 3.12Å; E138-R140 IonicContact OE1-NE 2.76Å; E138-R140 PolarHBondContact OE1-NE 2.77Å; E138-R140 IonicContact OE1-NH2 2.7Å; E138-R140 PolarHBondContact OE1-NH2 3.14Å; E138-V165 HydrophobicContact CB-CB 3.82Å; E138-V165 HydrophobicContact CB-CG1 4.24Å; E138-V165 HydrophobicContact CB-CG2 3.87Å; E138-V165 HydrophobicContact CG-CB 4.17Å; E138-V165 HydrophobicContact CG-CG1 4.18Å; E138-V167 HydrophobicContact CG-CG2 3.75Å; E138-R191 IonicContact OE1-NH1 2.98Å; E138-R191 PolarHBondContact OE1-NH1 2.92Å; E138-R191 WeakPolarHBondContact OE2-CD 3.17Å; E138-R191 IonicContact OE2-CZ 3.92Å; E138-R191 IonicContact OE2-NE 2.8Å; E138-R191 IonicContact OE2-NH1 2.61Å; E138-R191 PolarHBondContact OE2-NH1 3.13Å; E138-H193 IonicContact OE1-NE2 2.81Å; E138-H193 PolarHBondContact OE1-NE2 2.84Å
139	L	98.3	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	-92.8	130.3	176.4	-57.8	170.7	0	0	0	108.3	F109 F113 I137 W144 Y145 T153 L164	F109-L139 HydrophobicContact CD2-CD2 4.4Å; F113-L139 HydrophobicContact CD1-CD2 4.01Å; F113-L139 HydrophobicContact CE1-CD2 4.09Å; I137-L139 HydrophobicContact CG2-CD2 3.77Å; I137-L139 HydrophobicContact CG2-CG 3.93Å; L139-W144 HydrophobicContact CB-CB 4.47Å; L139-W144 HydrophobicContact CB-CG 4.21Å; L139-W144 HydrophobicContact CD1-CB 3.88Å; L139-W144 HydrophobicContact CD1-CD2 3.69Å; L139-W144 HydrophobicContact CD1-CE3 3.96Å; L139-W144 HydrophobicContact CD1-CG 3.67Å; L139-W144 HydrophobicContact CD2-CD2 4.22Å; L139-W144 HydrophobicContact CD2-CG 4.42Å; L139-W144 HydrophobicContact CD2-CZ2 4.29Å; L139-W144 HydrophobicContact CG-CD2 4.44Å; L139-W144 HydrophobicContact CG-CG 4.3Å; L139-Y145 HydrophobicContact CB-CE2 4.1Å; L139-T153 HydrophobicContact CD1-CG2 3.84Å; L139-L164 HydrophobicContact CD1-CD1 3.79Å; L139-L164 HydrophobicContact CG-CD1 4.17Å
140	R	95.9	Very high	96.7	Very high	34 Å²	34	48.5 Å²	48.5	13%	0.128	24%	0.239	C	C	.	.			trans	-117.1	22.3	-173.7	-68.9	-169.7	166.7	167.6	-3.1	114	Q108 F109 E138 H193	Q108-R140 VanDerWaalsContact CG-CZ 3.47Å; F109-R140 WeakPolarHBondContact O-CD 3.43Å; F109-R140 WeakPolarHBondContact O-CG 3.37Å; E138-R140 HydrophobicContact CG-CG 4.29Å; E138-R140 IonicContact OE1-CZ 3.12Å; E138-R140 IonicContact OE1-NE 2.76Å; E138-R140 PolarHBondContact OE1-NE 2.77Å; E138-R140 IonicContact OE1-NH2 2.7Å; E138-R140 PolarHBondContact OE1-NH2 3.14Å; R140-H193 PolarHBondContact NH2-NE2 2.86Å
141	D	95.5	Very high	96.7	Very high	25 Å²	25	54.6 Å²	54.6	13%	0.134	27%	0.267	C	S	.	.	S	Bend	trans	-132.4	134.5	177.7	-178	90.2	0	0	0	110	A111 K114 S143 W144	A111-D141 WeakPolarHBondContact O-CB 3.37Å; K114-D141 HydrophobicContact CG-CB 4.47Å; D141-S143 PolarHBondContact O-N 3.19Å; D141-S143 VanDerWaalsContact O-N 3.16Å; D141-S143 WeakPolarHBondContact OD2-CB 3.42Å; D141-S143 PolarHBondContact OD2-N 2.82Å; D141-S143 PolarHBondContact OD2-OG 3.37Å; D141-W144 PolarHBondContact O-N 3.26Å
142	Y	96.1	Very high	97	Very high	116 Å²	116	55.9 Å²	55.9	46%	0.455	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-61.5	-23	-175.2	-177.6	-97.8	0	0	0	113.6	W144 Y145 G146 T175	Y142-W144 PolarHBondContact O-N 2.86Å; Y142-Y145 CarbonylContact O-C 3.52Å; Y142-Y145 WeakPolarHBondContact O-CA 3.23Å; Y142-Y145 PolarHBondContact O-N 3.4Å; Y142-G146 PolarHBondContact O-N 3.14Å; Y142-T175 WeakPolarHBondContact CD2-O 3.4Å
143	S	96.8	Very high	97.4	Very high	34 Å²	34	48.8 Å²	48.8	24%	0.238	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.9	-24.9	-178.3	61.8	0	0	0	0	113.9	C115 D141 Y145	C115-S143 WeakPolarHBondContact CB-O 3.43Å; C115-S143 PolarHBondContact N-OG 3.26Å; D141-S143 PolarHBondContact O-N 3.19Å; D141-S143 VanDerWaalsContact O-N 3.16Å; D141-S143 WeakPolarHBondContact OD2-CB 3.42Å; D141-S143 PolarHBondContact OD2-N 2.82Å; D141-S143 PolarHBondContact OD2-OG 3.37Å; S143-Y145 VanDerWaalsContact C-N 3.32Å
144	W	97.9	Very high	97.4	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-74.1	-22	173.6	-65.8	99.3	0	0	0	114	F113 K114 C115 N119 V120 L123 L139 D141 Y142 V150 T153 L156	F113-W144 AromaticContact CD1-CZ2 3.88Å; F113-W144 HydrophobicContact CD1-CZ2 3.88Å; F113-W144 HydrophobicContact CE1-CH2 4.32Å; F113-W144 AromaticContact CE1-CZ2 3.61Å; F113-W144 HydrophobicContact CE1-CZ2 3.61Å; F113-W144 HydrophobicContact CZ-CZ2 4.49Å; F113-W144 PolarHBondContact O-NE1 3.05Å; K114-W144 VanDerWaalsContact C-NE1 3.33Å; K114-W144 WeakPolarHBondContact O-CZ2 3.29Å; C115-W144 HydrophobicContact CB-CB 4.5Å; C115-W144 HydrophobicContact CB-CD2 3.61Å; C115-W144 HydrophobicContact CB-CE3 3.85Å; C115-W144 HydrophobicContact CB-CG 3.9Å; C115-W144 HydrophobicContact CB-CZ2 4.44Å; C115-W144 HydrophobicContact CB-CZ3 4.37Å; N119-W144 HydrophobicContact CB-CH2 4.36Å; N119-W144 HydrophobicContact CB-CZ2 4.01Å; V120-W144 HydrophobicContact CG2-CH2 3.84Å; V120-W144 HydrophobicContact CG2-CZ3 3.87Å; L123-W144 HydrophobicContact CD1-CH2 3.65Å; L123-W144 HydrophobicContact CD1-CZ2 4.35Å; L123-W144 HydrophobicContact CD1-CZ3 4.04Å; L139-W144 HydrophobicContact CB-CB 4.47Å; L139-W144 HydrophobicContact CB-CG 4.21Å; L139-W144 HydrophobicContact CD1-CB 3.88Å; L139-W144 HydrophobicContact CD1-CD2 3.69Å; L139-W144 HydrophobicContact CD1-CE3 3.96Å; L139-W144 HydrophobicContact CD1-CG 3.67Å; L139-W144 HydrophobicContact CD2-CD2 4.22Å; L139-W144 HydrophobicContact CD2-CG 4.42Å; L139-W144 HydrophobicContact CD2-CZ2 4.29Å; L139-W144 HydrophobicContact CG-CD2 4.44Å; L139-W144 HydrophobicContact CG-CG 4.3Å; D141-W144 PolarHBondContact O-N 3.26Å; Y142-W144 PolarHBondContact O-N 2.86Å; W144-V150 WeakPolarHBondContact O-CA 3.45Å; W144-T153 HydrophobicContact CB-CG2 4.37Å; W144-T153 HydrophobicContact CE3-CG2 4.06Å; W144-T153 PolarHBondContact O-OG1 2.89Å; W144-L156 HydrophobicContact CZ3-CD2 4.34Å
145	Y	97.1	Very high	97.4	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.047	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-1.4	-175	-59.5	-89.1	0	0	0	112.9	L139 Y142 S143 L164 V176 P177 D179	L139-Y145 HydrophobicContact CB-CE2 4.1Å; Y142-Y145 CarbonylContact O-C 3.52Å; Y142-Y145 WeakPolarHBondContact O-CA 3.23Å; Y142-Y145 PolarHBondContact O-N 3.4Å; S143-Y145 VanDerWaalsContact C-N 3.32Å; Y145-L164 HydrophobicContact CE1-CD2 4.19Å; Y145-V176 HydrophobicContact CD2-CB 3.86Å; Y145-V176 HydrophobicContact CD2-CG1 3.66Å; Y145-V176 HydrophobicContact CE2-CB 3.63Å; Y145-V176 HydrophobicContact CE2-CG1 3.42Å; Y145-V176 VanDerWaalsContact CE2-CG1 3.42Å; Y145-V176 HydrophobicContact CE2-CG2 4.46Å; Y145-P177 HydrophobicContact CD1-CG 3.73Å; Y145-P177 HydrophobicContact CG-CG 3.89Å; Y145-D179 HydrophobicContact CD1-CB 4.25Å; Y145-D179 HydrophobicContact CE1-CB 3.94Å
146	G	95.1	Very high	97.4	Very high	13 Å²	13	52.8 Å²	52.8	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	-56.4	147.8	172.7	0	0	0	0	0	110.8	Y142 E148 F149 V150	Y142-G146 PolarHBondContact O-N 3.14Å; G146-E148 PolarHBondContact O-N 3.48Å; G146-F149 PolarHBondContact O-N 2.81Å; G146-V150 PolarHBondContact O-N 2.85Å
147	K	94.6	Very high	97.4	Very high	200 Å²	200	52.8 Å²	52.8	87%	0.87	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	-30.7	-176	-172.1	179.4	178.9	-177.4	0	114
148	E	95.4	Very high	97.4	Very high	152 Å²	152	58.4 Å²	58.4	71%	0.71	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-20.7	-179.8	-60.3	-175.2	168	0	0	114.5	G146	G146-E148 PolarHBondContact O-N 3.48Å
149	F	97.4	Very high	97.4	Very high	77 Å²	77	63.4 Å²	63.4	34%	0.338	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-23.6	-169.6	-64.6	-67.2	0	0	0	114.3	G146 E151 K152 T153	G146-F149 PolarHBondContact O-N 2.81Å; F149-E151 PolarHBondContact O-N 2.95Å; F149-K152 HydrophobicContact CD1-CD 4.42Å; F149-K152 CarbonylContact O-C 3.58Å; F149-K152 WeakPolarHBondContact O-CA 3.36Å; F149-K152 WeakPolarHBondContact O-CB 3.19Å; F149-K152 PolarHBondContact O-N 2.83Å; F149-T153 PolarHBondContact O-N 2.79Å; F149-T153 PolarHBondContact O-OG1 2.97Å
150	V	97.9	Very high	97.4	Very high	28 Å²	28	64.6 Å²	64.6	17%	0.17	30%	0.303	C	S	.	.	H	α-helix	trans	-52.5	-48.8	-173.8	64.4	0	0	0	0	113.7	W144 G146 K152 T153 H154	W144-V150 WeakPolarHBondContact O-CA 3.45Å; G146-V150 PolarHBondContact O-N 2.85Å; V150-K152 VanDerWaalsContact C-N 3.32Å; V150-K152 PolarHBondContact O-N 2.89Å; V150-T153 WeakPolarHBondContact O-CB 3.41Å; V150-T153 PolarHBondContact O-N 3.31Å; V150-H154 PolarHBondContact O-CD2 3.03Å; V150-H154 VanDerWaalsContact O-CG 3.31Å; V150-H154 PolarHBondContact O-N 2.87Å
151	E	98.4	Very high	97.5	Very high	129 Å²	129	65.8 Å²	65.8	60%	0.603	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-34.9	178	-66.4	-57.5	138.6	0	0	112.6	F149 H154 Q155	F149-E151 PolarHBondContact O-N 2.95Å; E151-H154 PolarHBondContact O-N 2.6Å; E151-Q155 WeakPolarHBondContact O-CB 3.28Å; E151-Q155 PolarHBondContact O-N 3.01Å
152	K	98.3	Very high	97.6	Very high	130 Å²	130	64.6 Å²	64.6	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-70	-38	176.2	-63.9	176.5	-177.3	166	0	111	F149 V150 Q155 L156	F149-K152 HydrophobicContact CD1-CD 4.42Å; F149-K152 CarbonylContact O-C 3.58Å; F149-K152 WeakPolarHBondContact O-CA 3.36Å; F149-K152 WeakPolarHBondContact O-CB 3.19Å; F149-K152 PolarHBondContact O-N 2.83Å; V150-K152 VanDerWaalsContact C-N 3.32Å; V150-K152 PolarHBondContact O-N 2.89Å; K152-Q155 PolarHBondContact O-N 2.94Å; K152-L156 WeakPolarHBondContact O-CB 3.41Å; K152-L156 PolarHBondContact O-N 3.42Å
153	T	98.7	Very high	97.7	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-48.7	172.7	-58.7	0	0	0	0	109.8	L139 W144 F149 V150 Q155 L156 M157 L164	L139-T153 HydrophobicContact CD1-CG2 3.84Å; W144-T153 HydrophobicContact CB-CG2 4.37Å; W144-T153 HydrophobicContact CE3-CG2 4.06Å; W144-T153 PolarHBondContact O-OG1 2.89Å; F149-T153 PolarHBondContact O-N 2.79Å; F149-T153 PolarHBondContact O-OG1 2.97Å; V150-T153 WeakPolarHBondContact O-CB 3.41Å; V150-T153 PolarHBondContact O-N 3.31Å; T153-Q155 VanDerWaalsContact C-N 3.34Å; T153-Q155 PolarHBondContact O-N 2.91Å; T153-L156 WeakPolarHBondContact O-CB 3.15Å; T153-L156 PolarHBondContact O-N 3.25Å; T153-M157 VanDerWaalsContact O-CG 3.26Å; T153-M157 WeakPolarHBondContact O-CG 3.49Å; T153-M157 PolarHBondContact O-N 2.89Å; T153-L164 HydrophobicContact CG2-CD2 4.49Å
154	H	98.8	Very high	97.8	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-43.3	176.6	-60.3	163.5	0	0	0	112.5	V150 E151 M157 R158 D179 T181 T183	V150-H154 PolarHBondContact O-CD2 3.03Å; V150-H154 VanDerWaalsContact O-CG 3.31Å; V150-H154 PolarHBondContact O-N 2.87Å; E151-H154 PolarHBondContact O-N 2.6Å; H154-M157 PolarHBondContact O-N 2.79Å; H154-R158 WeakPolarHBondContact O-CG 3.5Å; H154-R158 PolarHBondContact O-N 2.97Å; H154-D179 IonicContact CD2-OD2 2.72Å; H154-D179 IonicContact CE1-OD1 3.58Å; H154-D179 IonicContact CE1-OD2 2.84Å; H154-D179 PolarHBondContact CE1-OD2 3.42Å; H154-D179 IonicContact NE2-OD1 3.7Å; H154-D179 IonicContact NE2-OD2 2.85Å; H154-D179 PolarHBondContact NE2-OD2 2.99Å; H154-T181 HydrophobicContact CB-CG2 4.47Å; H154-T181 PolarHBondContact CE1-OG1 2.89Å; H154-T181 VanDerWaalsContact CE1-OG1 3.28Å; H154-T183 HydrophobicContact CB-CG2 4.16Å
155	Q	98.6	Very high	97.9	Very high	125 Å²	125	57.7 Å²	57.7	58%	0.584	27%	0.274	S	S	*	.	H	α-helix	trans	-62	-45	176.6	-173.6	176.6	8	0	0	111.3	E151 K152 T153 M157 R158 T159	E151-Q155 WeakPolarHBondContact O-CB 3.28Å; E151-Q155 PolarHBondContact O-N 3.01Å; K152-Q155 PolarHBondContact O-N 2.94Å; T153-Q155 VanDerWaalsContact C-N 3.34Å; T153-Q155 PolarHBondContact O-N 2.91Å; Q155-M157 PolarHBondContact O-N 3.21Å; Q155-R158 PolarHBondContact O-N 3.05Å; Q155-T159 WeakPolarHBondContact O-CB 3.25Å; Q155-T159 PolarHBondContact O-N 2.9Å; Q155-T159 PolarHBondContact O-OG1 3.16Å; Q155-T159 VanDerWaalsContact O-OG1 3.11Å
156	L	98.7	Very high	98	Very high	24 Å²	24	57.1 Å²	57.1	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-46.9	175.9	-179.6	67	0	0	0	111.3	V120 L123 W144 K152 T153 R158 T159 L160	V120-L156 HydrophobicContact CB-CD2 4.45Å; V120-L156 HydrophobicContact CG1-CD1 4.17Å; V120-L156 HydrophobicContact CG1-CD2 3.93Å; V120-L156 HydrophobicContact CG2-CD2 4.17Å; L123-L156 HydrophobicContact CD1-CD2 3.94Å; W144-L156 HydrophobicContact CZ3-CD2 4.34Å; K152-L156 WeakPolarHBondContact O-CB 3.41Å; K152-L156 PolarHBondContact O-N 3.42Å; T153-L156 WeakPolarHBondContact O-CB 3.15Å; T153-L156 PolarHBondContact O-N 3.25Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.02Å; L156-T159 PolarHBondContact O-N 3.12Å; L156-L160 HydrophobicContact CD1-CD1 3.64Å; L156-L160 HydrophobicContact CD1-CG 4.06Å; L156-L160 HydrophobicContact CG-CD1 4Å; L156-L160 WeakPolarHBondContact O-CB 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 2.9Å
157	M	98.7	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-42.3	178	-64.8	-62.3	105.8	0	0	111.5	L123 I137 T153 H154 Q155 L160 N161 F162 L164 T183	L123-M157 HydrophobicContact CD1-CE 3.82Å; I137-M157 HydrophobicContact CB-SD 3.96Å; I137-M157 HydrophobicContact CG1-SD 3.95Å; I137-M157 HydrophobicContact CG2-SD 4.33Å; T153-M157 VanDerWaalsContact O-CG 3.26Å; T153-M157 WeakPolarHBondContact O-CG 3.49Å; T153-M157 PolarHBondContact O-N 2.89Å; H154-M157 PolarHBondContact O-N 2.79Å; Q155-M157 PolarHBondContact O-N 3.21Å; M157-L160 CarbonylContact O-C 3.37Å; M157-N161 CarbonylContact O-C 3.53Å; M157-N161 PolarHBondContact O-N 3.23Å; M157-F162 HydrophobicContact CB-CB 4.39Å; M157-F162 HydrophobicContact CE-CD2 4.31Å; M157-F162 PolarHBondContact O-N 3.42Å; M157-F162 HydrophobicContact SD-CB 3.71Å; M157-F162 HydrophobicContact SD-CD2 4.28Å; M157-F162 HydrophobicContact SD-CG 4.35Å; M157-L164 HydrophobicContact CG-CB 4.07Å; M157-L164 HydrophobicContact CG-CD1 4.3Å; M157-L164 HydrophobicContact SD-CD1 4.36Å; M157-T183 HydrophobicContact CB-CG2 3.79Å; M157-T183 HydrophobicContact CG-CG2 4.47Å
158	R	98.6	Very high	98.3	Very high	117 Å²	117	47.1 Å²	47.1	44%	0.442	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-48	175.3	-72.2	174.6	-174.6	124.1	2.9	112.2	H154 Q155 L156 L160 N161 V182 T183	H154-R158 WeakPolarHBondContact O-CG 3.5Å; H154-R158 PolarHBondContact O-N 2.97Å; Q155-R158 PolarHBondContact O-N 3.05Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.02Å; R158-L160 VanDerWaalsContact C-N 3.29Å; R158-L160 PolarHBondContact O-N 3.12Å; R158-N161 PolarHBondContact O-N 3.34Å; R158-N161 VanDerWaalsContact O-N 3.08Å; R158-V182 PolarHBondContact NE-O 3.4Å; R158-V182 PolarHBondContact NH2-O 3.43Å; R158-T183 WeakPolarHBondContact CA-O 3.4Å; R158-T183 VanDerWaalsContact CG-O 3.3Å; R158-T183 WeakPolarHBondContact CG-O 3.43Å
159	T	98.3	Very high	98.3	Very high	106 Å²	106	40.2 Å²	40.2	65%	0.65	19%	0.193	S	C	*	.	H	α-helix	trans	-59.8	-41.1	179.4	-67.2	0	0	0	0	111.4	Q155 L156 N161	Q155-T159 WeakPolarHBondContact O-CB 3.25Å; Q155-T159 PolarHBondContact O-N 2.9Å; Q155-T159 PolarHBondContact O-OG1 3.16Å; Q155-T159 VanDerWaalsContact O-OG1 3.11Å; L156-T159 PolarHBondContact O-N 3.12Å; T159-N161 VanDerWaalsContact C-N 3.3Å
160	L	98.2	Very high	98.2	Very high	24 Å²	24	36.7 Å²	36.7	13%	0.126	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9.9	178.1	-60.3	-179	0	0	0	113.2	L123 E124 R127 L156 M157 R158 F162	L123-L160 HydrophobicContact CB-CD1 4.18Å; E124-L160 HydrophobicContact CG-CD1 3.97Å; E124-L160 HydrophobicContact CG-CD2 4.18Å; R127-L160 HydrophobicContact CB-CB 4.45Å; R127-L160 HydrophobicContact CB-CD2 4.34Å; R127-L160 WeakPolarHBondContact CD-O 3.15Å; R127-L160 HydrophobicContact CG-CB 4.42Å; R127-L160 HydrophobicContact CG-CD2 4.41Å; R127-L160 PolarHBondContact NE-O 3.01Å; R127-L160 PolarHBondContact NH2-O 3.14Å; L156-L160 HydrophobicContact CD1-CD1 3.64Å; L156-L160 HydrophobicContact CD1-CG 4.06Å; L156-L160 HydrophobicContact CG-CD1 4Å; L156-L160 WeakPolarHBondContact O-CB 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 2.9Å; M157-L160 CarbonylContact O-C 3.37Å; R158-L160 VanDerWaalsContact C-N 3.29Å; R158-L160 PolarHBondContact O-N 3.12Å; L160-F162 HydrophobicContact CB-CD2 3.46Å; L160-F162 VanDerWaalsContact CB-CD2 3.46Å; L160-F162 HydrophobicContact CB-CE2 3.62Å; L160-F162 HydrophobicContact CB-CG 4.42Å; L160-F162 HydrophobicContact CD1-CD2 4.09Å; L160-F162 HydrophobicContact CD1-CE2 3.78Å; L160-F162 HydrophobicContact CG-CD2 4.44Å; L160-F162 HydrophobicContact CG-CE2 4.35Å; L160-F162 PolarHBondContact O-N 2.74Å
161	N	97.8	Very high	97.9	Very high	60 Å²	60	40.9 Å²	40.9	32%	0.321	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	32.1	179.8	-164.8	25.8	0	0	0	113.9	R127 M157 R158 T159 N184	R127-N161 PolarHBondContact NH2-O 3.32Å; M157-N161 CarbonylContact O-C 3.53Å; M157-N161 PolarHBondContact O-N 3.23Å; R158-N161 PolarHBondContact O-N 3.34Å; R158-N161 VanDerWaalsContact O-N 3.08Å; T159-N161 VanDerWaalsContact C-N 3.3Å; N161-N184 PolarHBondContact O-ND2 3.42Å; N161-N184 PolarHBondContact OD1-ND2 3.36Å
162	F	98.7	Very high	97.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.			trans	-87.6	147.3	173.1	-74.8	-56.5	0	0	0	110.7	L123 L126 R127 V135 I137 M157 L160	L123-F162 HydrophobicContact CB-CE2 4.49Å; L123-F162 WeakPolarHBondContact O-CE2 3.49Å; L126-F162 HydrophobicContact CB-CZ 4.4Å; L126-F162 HydrophobicContact CD2-CZ 4.39Å; L126-F162 HydrophobicContact CG-CZ 4.42Å; R127-F162 HydrophobicContact CB-CE2 3.96Å; R127-F162 HydrophobicContact CB-CZ 3.67Å; R127-F162 VanDerWaalsContact NH2-CG 3.34Å; V135-F162 HydrophobicContact CB-CD1 3.67Å; V135-F162 HydrophobicContact CB-CE1 3.62Å; V135-F162 HydrophobicContact CG1-CD1 3.75Å; V135-F162 HydrophobicContact CG1-CE1 3.58Å; V135-F162 HydrophobicContact CG2-CE1 4.3Å; I137-F162 HydrophobicContact CD1-CD1 3.54Å; I137-F162 HydrophobicContact CD1-CD2 4.33Å; I137-F162 HydrophobicContact CD1-CE1 3.71Å; I137-F162 HydrophobicContact CD1-CE2 4.4Å; I137-F162 HydrophobicContact CD1-CG 3.96Å; I137-F162 HydrophobicContact CD1-CZ 4.14Å; I137-F162 HydrophobicContact CG1-CB 3.7Å; I137-F162 HydrophobicContact CG1-CD1 3.5Å; I137-F162 VanDerWaalsContact CG1-CD1 3.5Å; I137-F162 HydrophobicContact CG1-CD2 3.9Å; I137-F162 HydrophobicContact CG1-CE1 4.15Å; I137-F162 HydrophobicContact CG1-CE2 4.44Å; I137-F162 HydrophobicContact CG1-CG 3.43Å; I137-F162 VanDerWaalsContact CG1-CG 3.43Å; M157-F162 HydrophobicContact CB-CB 4.39Å; M157-F162 HydrophobicContact CE-CD2 4.31Å; M157-F162 PolarHBondContact O-N 3.42Å; M157-F162 HydrophobicContact SD-CB 3.71Å; M157-F162 HydrophobicContact SD-CD2 4.28Å; M157-F162 HydrophobicContact SD-CG 4.35Å; L160-F162 HydrophobicContact CB-CD2 3.46Å; L160-F162 VanDerWaalsContact CB-CD2 3.46Å; L160-F162 HydrophobicContact CB-CE2 3.62Å; L160-F162 HydrophobicContact CB-CG 4.42Å; L160-F162 HydrophobicContact CD1-CD2 4.09Å; L160-F162 HydrophobicContact CD1-CE2 3.78Å; L160-F162 HydrophobicContact CG-CD2 4.44Å; L160-F162 HydrophobicContact CG-CE2 4.35Å; L160-F162 PolarHBondContact O-N 2.74Å
163	S	98.7	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	114.7	165.1	-166.1	0	0	0	0	109.3	V135 A136 I137 V165 F187 S188	V135-S163 PolarHBondContact O-N 2.63Å; A136-S163 CarbonylContact C-O 3.47Å; A136-S163 WeakPolarHBondContact CA-O 3.45Å; I137-S163 PolarHBondContact N-O 2.96Å; S163-V165 PolarHBondContact O-N 3.18Å; S163-F187 WeakPolarHBondContact CB-O 3.26Å; S163-F187 PolarHBondContact OG-O 3.36Å; S163-S188 WeakPolarHBondContact OG-CA 3.48Å
164	L	98.8	Very high	96.2	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	122.2	171.3	-172.1	60.1	0	0	0	109	L139 Y145 T153 M157 M166 T183	L139-L164 HydrophobicContact CD1-CD1 3.79Å; L139-L164 HydrophobicContact CG-CD1 4.17Å; Y145-L164 HydrophobicContact CE1-CD2 4.19Å; T153-L164 HydrophobicContact CG2-CD2 4.49Å; M157-L164 HydrophobicContact CG-CB 4.07Å; M157-L164 HydrophobicContact CG-CD1 4.3Å; M157-L164 HydrophobicContact SD-CD1 4.36Å; L164-M166 PolarHBondContact O-N 2.68Å; L164-T183 HydrophobicContact CB-CG2 4.11Å; L164-T183 WeakPolarHBondContact CB-OG1 3.29Å; L164-T183 PolarHBondContact N-OG1 3.02Å
165	V	98.9	Very high	95.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.206	C	C	.	.			trans	-66.7	130.4	179.8	176.6	0	0	0	0	109.9	L106 A136 I137 E138 S163 V167 L189 R191	L106-V165 HydrophobicContact CD1-CG2 3.79Å; A136-V165 HydrophobicContact CB-CG2 3.67Å; I137-V165 WeakPolarHBondContact O-CG2 3.48Å; I137-V165 PolarHBondContact O-N 3.15Å; E138-V165 HydrophobicContact CB-CB 3.82Å; E138-V165 HydrophobicContact CB-CG1 4.24Å; E138-V165 HydrophobicContact CB-CG2 3.87Å; E138-V165 HydrophobicContact CG-CB 4.17Å; E138-V165 HydrophobicContact CG-CG1 4.18Å; S163-V165 PolarHBondContact O-N 3.18Å; V165-V167 HydrophobicContact CB-CG2 4.4Å; V165-V167 HydrophobicContact CG1-CG2 3.86Å; V165-V167 PolarHBondContact O-N 3.12Å; V165-L189 WeakPolarHBondContact CA-O 3.34Å; V165-L189 HydrophobicContact CG2-CB 4.44Å; V165-L189 HydrophobicContact CG2-CD2 4.07Å; V165-R191 HydrophobicContact CG1-CB 3.88Å; V165-R191 HydrophobicContact CG1-CG 3.63Å
166	M	98.7	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	94.9	178.4	-54.7	177.8	179.7	0	0	108.4	L164 L178 D179 T180 V182 L189 F190 R191 V231	L164-M166 PolarHBondContact O-N 2.68Å; M166-L178 HydrophobicContact CB-CD1 4.38Å; M166-D179 WeakPolarHBondContact CB-O 3.39Å; M166-D179 VanDerWaalsContact CG-O 3.32Å; M166-D179 WeakPolarHBondContact CG-O 3.37Å; M166-T180 HydrophobicContact SD-CG2 4.45Å; M166-V182 HydrophobicContact CE-CG2 4.26Å; M166-L189 PolarHBondContact N-O 3.37Å; M166-F190 HydrophobicContact CB-CD1 3.44Å; M166-F190 VanDerWaalsContact CB-CD1 3.44Å; M166-F190 HydrophobicContact CB-CE1 3.68Å; M166-F190 HydrophobicContact CB-CG 3.96Å; M166-F190 HydrophobicContact CB-CZ 4.34Å; M166-F190 HydrophobicContact CG-CD1 4.38Å; M166-F190 HydrophobicContact CG-CE1 4.3Å; M166-F190 VanDerWaalsContact O-CA 3.31Å; M166-F190 WeakPolarHBondContact O-CA 3.39Å; M166-F190 HydrophobicContact SD-CD1 4.14Å; M166-F190 HydrophobicContact SD-CD2 4.06Å; M166-F190 HydrophobicContact SD-CE1 3.65Å; M166-F190 HydrophobicContact SD-CE2 3.52Å; M166-F190 VanDerWaalsContact SD-CE2 3.52Å; M166-F190 HydrophobicContact SD-CG 4.36Å; M166-F190 HydrophobicContact SD-CZ 3.32Å; M166-F190 WeakPolarHBondContact SD-CZ 3.43Å; M166-R191 PolarHBondContact O-N 2.84Å; M166-V231 HydrophobicContact CE-CB 4.46Å; M166-V231 HydrophobicContact CE-CG1 3.76Å; M166-V231 HydrophobicContact CE-CG2 3.81Å; M166-V231 HydrophobicContact SD-CB 4.46Å; M166-V231 HydrophobicContact SD-CG1 4.06Å; M166-V231 HydrophobicContact SD-CG2 3.73Å
167	V	98.3	Very high	95.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.2	-171.4	-174.4	0	0	0	0	110.7	E138 V165 E169 V176 L178 R191	E138-V167 HydrophobicContact CG-CG2 3.75Å; V165-V167 HydrophobicContact CB-CG2 4.4Å; V165-V167 HydrophobicContact CG1-CG2 3.86Å; V165-V167 PolarHBondContact O-N 3.12Å; V167-E169 HydrophobicContact CG1-CB 4.24Å; V167-E169 HydrophobicContact CG1-CG 3.99Å; V167-V176 HydrophobicContact CB-CG2 3.94Å; V167-V176 HydrophobicContact CG1-CG2 4.21Å; V167-V176 HydrophobicContact CG2-CG2 4.37Å; V167-L178 WeakPolarHBondContact O-CA 3.5Å; V167-L178 VanDerWaalsContact O-CD1 3.29Å; V167-L178 WeakPolarHBondContact O-CD1 3.37Å; V167-R191 WeakPolarHBondContact CA-O 3.4Å
168	D	98.1	Very high	95.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.8	164.7	-171.5	87.9	0	0	0	109.9	L178 R191 F192 H193 R195 Y216 L224	D168-L178 HydrophobicContact CB-CD1 4.34Å; D168-L178 HydrophobicContact CB-CD2 4.48Å; D168-R191 PolarHBondContact N-O 3.42Å; D168-F192 HydrophobicContact CB-CD1 3.48Å; D168-F192 VanDerWaalsContact CB-CD1 3.48Å; D168-F192 HydrophobicContact CB-CE1 4Å; D168-F192 HydrophobicContact CB-CG 4.32Å; D168-H193 PolarHBondContact O-N 2.96Å; D168-R195 IonicContact OD1-CZ 2.9Å; D168-R195 IonicContact OD1-NE 2.62Å; D168-R195 PolarHBondContact OD1-NE 3.3Å; D168-R195 IonicContact OD1-NH2 3.5Å; D168-R195 PolarHBondContact OD1-NH2 2.94Å; D168-R195 WeakPolarHBondContact OD2-CG 3.16Å; D168-R195 IonicContact OD2-CZ 2.75Å; D168-R195 IonicContact OD2-NE 2.66Å; D168-R195 PolarHBondContact OD2-NE 2.75Å; D168-R195 IonicContact OD2-NH2 3.48Å; D168-Y216 WeakPolarHBondContact OD2-CE1 3.33Å; D168-Y216 VanDerWaalsContact OD2-CZ 3.3Å; D168-Y216 PolarHBondContact OD2-OH 3.39Å; D168-L224 HydrophobicContact CB-CD2 4.38Å
169	E	96.3	Very high	95.6	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.037	18%	0.176	C	C	.	.			trans	-147.6	170.5	-179.7	62.6	178.7	-143.3	0	0	110.2	V167 Q171 T175 V176 G194 W200	V167-E169 HydrophobicContact CG1-CB 4.24Å; V167-E169 HydrophobicContact CG1-CG 3.99Å; E169-Q171 PolarHBondContact O-NE2 2.76Å; E169-T175 HydrophobicContact CG-CG2 4.48Å; E169-T175 WeakPolarHBondContact OE1-CA 3.26Å; E169-T175 WeakPolarHBondContact OE1-CB 3.47Å; E169-T175 WeakPolarHBondContact OE1-CG2 3.3Å; E169-V176 HydrophobicContact CG-CG2 4.3Å; E169-V176 WeakPolarHBondContact OE1-CG2 3.46Å; E169-V176 PolarHBondContact OE1-N 3.08Å; E169-G194 WeakPolarHBondContact CA-O 3.47Å; E169-W200 HydrophobicContact CB-CH2 3.41Å; E169-W200 VanDerWaalsContact CB-CH2 3.41Å; E169-W200 HydrophobicContact CB-CZ2 3.55Å; E169-W200 HydrophobicContact CB-CZ3 4.17Å; E169-W200 HydrophobicContact CG-CH2 4.46Å; E169-W200 HydrophobicContact CG-CZ2 4.14Å; E169-W200 VanDerWaalsContact OE2-CZ2 3.23Å; E169-W200 WeakPolarHBondContact OE2-CZ2 3.39Å
170	P	94.6	Very high	95.6	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.019	16%	0.158	C	C	.	.			trans	-56	144.7	176.4	-16.9	28.1	0	0	0	110.7	L172 T175 G194 Q197 W200	P170-L172 HydrophobicContact CB-CD1 4.27Å; P170-L172 HydrophobicContact CB-CG 4.26Å; P170-L172 PolarHBondContact O-N 2.84Å; P170-T175 WeakPolarHBondContact O-CB 3.45Å; P170-T175 WeakPolarHBondContact O-CG2 3.28Å; P170-T175 PolarHBondContact O-OG1 2.78Å; P170-G194 WeakPolarHBondContact CD-O 3.37Å; P170-Q197 HydrophobicContact CB-CB 4.18Å; P170-Q197 HydrophobicContact CB-CG 4.45Å; P170-W200 VanDerWaalsContact CD-CD2 3.42Å; P170-W200 HydrophobicContact CG-CB 4.07Å; P170-W200 HydrophobicContact CG-CD2 3.5Å; P170-W200 VanDerWaalsContact CG-CD2 3.5Å; P170-W200 HydrophobicContact CG-CE3 3.28Å; P170-W200 HydrophobicContact CG-CG 3.83Å; P170-W200 HydrophobicContact CG-CZ3 3.92Å
171	Q	92.9	Very high	95.6	Very high	115 Å²	115	29.2 Å²	29.2	54%	0.537	16%	0.164	S	C	.	.			trans	-93.1	82	-179.9	-58.4	-61.1	-69.3	0	0	109.7	E169 V176	E169-Q171 PolarHBondContact O-NE2 2.76Å; Q171-V176 PolarHBondContact NE2-O 3.04Å
172	L	90.2	Very high	95.6	Very high	35 Å²	35	27.1 Å²	27.1	18%	0.183	15%	0.154	C	C	.	.			trans	-107.3	165.5	177.4	-70.1	172.1	0	0	0	111.7	P170 D174 T175 Q197 W200	P170-L172 HydrophobicContact CB-CD1 4.27Å; P170-L172 HydrophobicContact CB-CG 4.26Å; P170-L172 PolarHBondContact O-N 2.84Å; L172-D174 PolarHBondContact O-N 2.76Å; L172-T175 WeakPolarHBondContact CA-OG1 3.35Å; L172-T175 HydrophobicContact CB-CG2 3.88Å; L172-T175 HydrophobicContact CD1-CG2 4.37Å; L172-T175 PolarHBondContact N-OG1 2.9Å; L172-T175 PolarHBondContact O-N 3.06Å; L172-T175 PolarHBondContact O-OG1 2.99Å; L172-Q197 HydrophobicContact CD1-CG 4.09Å; L172-Q197 HydrophobicContact CD2-CG 3.51Å; L172-Q197 HydrophobicContact CG-CG 3.93Å; L172-W200 HydrophobicContact CD1-CB 3.81Å; L172-W200 HydrophobicContact CD1-CG 4.1Å
173	P	84.5	Confident	95.6	Very high	121 Å²	121	27.3 Å²	27.3	79%	0.786	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.3	177.3	-26.3	36.2	0	0	0	115.3
174	D	83.1	Confident	95.6	Very high	84 Å²	84	27.4 Å²	27.4	45%	0.449	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	8.9	-176.7	64	-26.7	0	0	0	114	L172 N201	L172-D174 PolarHBondContact O-N 2.76Å; D174-N201 VanDerWaalsContact CG-ND2 3.29Å; D174-N201 PolarHBondContact OD1-ND2 2.94Å; D174-N201 VanDerWaalsContact OD2-CG 3.24Å; D174-N201 PolarHBondContact OD2-ND2 3.42Å; D174-N201 PolarHBondContact OD2-OD1 3.2Å
175	T	92.9	Very high	95.6	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.179	C	C	.	.	S	Bend	trans	-102.7	168.2	175.1	49.8	0	0	0	0	112	Y142 E169 P170 L172 W200	Y142-T175 WeakPolarHBondContact CD2-O 3.4Å; E169-T175 HydrophobicContact CG-CG2 4.48Å; E169-T175 WeakPolarHBondContact OE1-CA 3.26Å; E169-T175 WeakPolarHBondContact OE1-CB 3.47Å; E169-T175 WeakPolarHBondContact OE1-CG2 3.3Å; P170-T175 WeakPolarHBondContact O-CB 3.45Å; P170-T175 WeakPolarHBondContact O-CG2 3.28Å; P170-T175 PolarHBondContact O-OG1 2.78Å; L172-T175 WeakPolarHBondContact CA-OG1 3.35Å; L172-T175 HydrophobicContact CB-CG2 3.88Å; L172-T175 HydrophobicContact CD1-CG2 4.37Å; L172-T175 PolarHBondContact N-OG1 2.9Å; L172-T175 PolarHBondContact O-N 3.06Å; L172-T175 PolarHBondContact O-OG1 2.99Å; T175-W200 VanDerWaalsContact CG2-CD1 3.48Å; T175-W200 HydrophobicContact CG2-CG 4.38Å
176	V	96.2	Very high	95.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-93.1	147.1	176.2	-55.5	0	0	0	0	111.4	Y145 V167 E169 Q171	Y145-V176 HydrophobicContact CD2-CB 3.86Å; Y145-V176 HydrophobicContact CD2-CG1 3.66Å; Y145-V176 HydrophobicContact CE2-CB 3.63Å; Y145-V176 HydrophobicContact CE2-CG1 3.42Å; Y145-V176 VanDerWaalsContact CE2-CG1 3.42Å; Y145-V176 HydrophobicContact CE2-CG2 4.46Å; V167-V176 HydrophobicContact CB-CG2 3.94Å; V167-V176 HydrophobicContact CG1-CG2 4.21Å; V167-V176 HydrophobicContact CG2-CG2 4.37Å; E169-V176 HydrophobicContact CG-CG2 4.3Å; E169-V176 WeakPolarHBondContact OE1-CG2 3.46Å; E169-V176 PolarHBondContact OE1-N 3.08Å; Q171-V176 PolarHBondContact NE2-O 3.04Å
177	P	96.7	Very high	95.5	Very high	42 Å²	42	34.7 Å²	34.7	27%	0.273	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-69	155.1	173.6	30.3	-35	0	0	0	111.1	Y145 D179	Y145-P177 HydrophobicContact CD1-CG 3.73Å; Y145-P177 HydrophobicContact CG-CG 3.89Å; P177-D179 PolarHBondContact O-N 3.32Å
178	L	97.6	Very high	95.6	Very high	25 Å²	25	34.7 Å²	34.7	13%	0.131	20%	0.198	C	C	.	.			trans	-71.1	80.6	163.2	178.5	59.4	0	0	0	109.6	M166 V167 D168 T180 F190 L224 K227	M166-L178 HydrophobicContact CB-CD1 4.38Å; V167-L178 WeakPolarHBondContact O-CA 3.5Å; V167-L178 VanDerWaalsContact O-CD1 3.29Å; V167-L178 WeakPolarHBondContact O-CD1 3.37Å; D168-L178 HydrophobicContact CB-CD1 4.34Å; D168-L178 HydrophobicContact CB-CD2 4.48Å; L178-T180 HydrophobicContact CD1-CG2 4.21Å; L178-T180 HydrophobicContact CG-CG2 4.09Å; L178-F190 HydrophobicContact CD1-CD1 4.39Å; L178-F190 HydrophobicContact CD1-CE1 4.36Å; L178-L224 HydrophobicContact CD2-CD2 3.71Å; L178-K227 HydrophobicContact CD2-CD 3.59Å; L178-K227 HydrophobicContact CG-CD 4.39Å
179	D	97.9	Very high	95.6	Very high	24 Å²	24	34.6 Å²	34.6	13%	0.128	20%	0.198	C	C	.	.			trans	-82.2	117.7	174.6	-171.4	-11.9	0	0	0	109.8	Y145 H154 M166 P177 T181	Y145-D179 HydrophobicContact CD1-CB 4.25Å; Y145-D179 HydrophobicContact CE1-CB 3.94Å; H154-D179 IonicContact CD2-OD2 2.72Å; H154-D179 IonicContact CE1-OD1 3.58Å; H154-D179 IonicContact CE1-OD2 2.84Å; H154-D179 PolarHBondContact CE1-OD2 3.42Å; H154-D179 IonicContact NE2-OD1 3.7Å; H154-D179 IonicContact NE2-OD2 2.85Å; H154-D179 PolarHBondContact NE2-OD2 2.99Å; M166-D179 WeakPolarHBondContact CB-O 3.39Å; M166-D179 VanDerWaalsContact CG-O 3.32Å; M166-D179 WeakPolarHBondContact CG-O 3.37Å; P177-D179 PolarHBondContact O-N 3.32Å; D179-T181 WeakPolarHBondContact OD1-CB 3.45Å; D179-T181 PolarHBondContact OD1-N 2.9Å; D179-T181 PolarHBondContact OD1-OG1 3.42Å
180	T	98.4	Very high	95.7	Very high	43 Å²	43	34.2 Å²	34.2	26%	0.264	20%	0.196	S	C	.	.			trans	-106.6	20.3	-178.3	60.7	0	0	0	0	112.4	M166 L178 V182 F190 K227	M166-T180 HydrophobicContact SD-CG2 4.45Å; L178-T180 HydrophobicContact CD1-CG2 4.21Å; L178-T180 HydrophobicContact CG-CG2 4.09Å; T180-V182 PolarHBondContact O-N 3.47Å; T180-F190 HydrophobicContact CG2-CE1 3.91Å; T180-F190 HydrophobicContact CG2-CZ 4.25Å; T180-K227 HydrophobicContact CG2-CB 4.29Å; T180-K227 HydrophobicContact CG2-CD 4.2Å; T180-K227 HydrophobicContact CG2-CG 4.43Å
181	T	98.5	Very high	95.9	Very high	42 Å²	42	34.1 Å²	34.1	26%	0.258	20%	0.195	S	C	.	.			trans	-67	122.1	177.1	-57.5	0	0	0	0	110.9	H154 D179 T183	H154-T181 HydrophobicContact CB-CG2 4.47Å; H154-T181 PolarHBondContact CE1-OG1 2.89Å; H154-T181 VanDerWaalsContact CE1-OG1 3.28Å; D179-T181 WeakPolarHBondContact OD1-CB 3.45Å; D179-T181 PolarHBondContact OD1-N 2.9Å; D179-T181 PolarHBondContact OD1-OG1 3.42Å; T181-T183 PolarHBondContact O-N 2.89Å
182	V	98.7	Very high	96.2	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.103	17%	0.169	C	C	.	.			trans	-72.4	120.3	174.7	178.4	0	0	0	0	109.7	R158 M166 T180 V231 E234 T235	R158-V182 PolarHBondContact NE-O 3.4Å; R158-V182 PolarHBondContact NH2-O 3.43Å; M166-V182 HydrophobicContact CE-CG2 4.26Å; T180-V182 PolarHBondContact O-N 3.47Å; V182-V231 HydrophobicContact CG2-CB 4.5Å; V182-V231 HydrophobicContact CG2-CG1 3.98Å; V182-V231 HydrophobicContact CG2-CG2 4.42Å; V182-E234 HydrophobicContact CB-CB 4.44Å; V182-E234 HydrophobicContact CG2-CB 3.94Å; V182-T235 WeakPolarHBondContact CG1-OG1 3.49Å
183	T	98.7	Very high	96.4	Very high	4 Å²	4	27 Å²	27	3%	0.025	16%	0.161	C	C	.	.	S	Bend	trans	-112.4	-14.5	179.6	45	0	0	0	0	112.7	H154 M157 R158 L164 T181	H154-T183 HydrophobicContact CB-CG2 4.16Å; M157-T183 HydrophobicContact CB-CG2 3.79Å; M157-T183 HydrophobicContact CG-CG2 4.47Å; R158-T183 WeakPolarHBondContact CA-O 3.4Å; R158-T183 VanDerWaalsContact CG-O 3.3Å; R158-T183 WeakPolarHBondContact CG-O 3.43Å; L164-T183 HydrophobicContact CB-CG2 4.11Å; L164-T183 WeakPolarHBondContact CB-OG1 3.29Å; L164-T183 PolarHBondContact N-OG1 3.02Å; T181-T183 PolarHBondContact O-N 2.89Å
184	N	98.4	Very high	97	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	12%	0.124	C	C	.	.			trans	-136.6	117.3	170.6	-171.1	-37	0	0	0	109.9	N161 N186	N161-N184 PolarHBondContact O-ND2 3.42Å; N161-N184 PolarHBondContact OD1-ND2 3.36Å; N184-N186 PolarHBondContact O-N 3.27Å; N184-N186 VanDerWaalsContact OD1-CB 3.31Å; N184-N186 WeakPolarHBondContact OD1-CB 3.5Å; N184-N186 PolarHBondContact OD1-N 2.86Å
185	P	97.7	Very high	97.5	Very high	78 Å²	78	20.5 Å²	20.5	51%	0.506	12%	0.115	S	C	.	.	S	Bend	trans	-72.5	-13.5	-178.3	30.2	-35.8	0	0	0	113.5	T235 K236	P185-T235 WeakPolarHBondContact O-CA 3.06Å; P185-K236 PolarHBondContact O-N 2.85Å
186	N	98.1	Very high	97.5	Very high	70 Å²	70	21.5 Å²	21.5	37%	0.374	12%	0.12	S	C	.	.	S	Bend	trans	-80.4	-39.5	178.2	-63.5	-53.1	0	0	0	112	N184 K236 E237	N184-N186 PolarHBondContact O-N 3.27Å; N184-N186 VanDerWaalsContact OD1-CB 3.31Å; N184-N186 WeakPolarHBondContact OD1-CB 3.5Å; N184-N186 PolarHBondContact OD1-N 2.86Å; N186-K236 WeakPolarHBondContact O-CB 3.36Å; N186-K236 PolarHBondContact OD1-NZ 2.85Å; N186-E237 PolarHBondContact O-N 3.39Å
187	F	98.6	Very high	97.3	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	149.6	177.1	75.3	-76.9	0	0	0	113.5	F103 C104 P134 A136 S163 E237	F103-F187 HydrophobicContact CD1-CD2 4.49Å; F103-F187 HydrophobicContact CE1-CB 4.4Å; F103-F187 AromaticContact CE1-CD2 3.93Å; F103-F187 HydrophobicContact CE1-CD2 3.93Å; F103-F187 HydrophobicContact CZ-CB 4.13Å; F103-F187 HydrophobicContact CZ-CD2 4.49Å; C104-F187 HydrophobicContact CB-CD2 3.96Å; C104-F187 HydrophobicContact CB-CE2 3.41Å; C104-F187 VanDerWaalsContact CB-CE2 3.41Å; C104-F187 HydrophobicContact CB-CZ 3.95Å; P134-F187 HydrophobicContact CB-CD1 3.99Å; P134-F187 HydrophobicContact CB-CE1 3.5Å; P134-F187 HydrophobicContact CB-CE2 4.45Å; P134-F187 HydrophobicContact CB-CZ 3.77Å; A136-F187 HydrophobicContact CB-CE2 4.16Å; S163-F187 WeakPolarHBondContact CB-O 3.26Å; S163-F187 PolarHBondContact OG-O 3.36Å; F187-E237 CarbonylContact C-O 3.07Å; F187-E237 WeakPolarHBondContact CA-O 3.15Å; F187-E237 HydrophobicContact CB-CB 4.36Å
188	S	98.8	Very high	96.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.7	177.9	-74.1	0	0	0	0	109.4	S163 T235 E237 V238 G239	S163-S188 WeakPolarHBondContact OG-CA 3.48Å; S188-T235 PolarHBondContact OG-OG1 3.46Å; S188-E237 PolarHBondContact N-O 2.93Å; S188-V238 CarbonylContact O-C 3.5Å; S188-V238 WeakPolarHBondContact O-CA 3.41Å; S188-G239 PolarHBondContact O-N 3.17Å
189	L	98.9	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.1	-179.6	-176.7	66.8	0	0	0	110.8	V62 F103 L106 A136 V165 M166 R191 G239 I241	V62-L189 HydrophobicContact CG1-CD2 4.18Å; V62-L189 HydrophobicContact CG2-CD1 4.04Å; F103-L189 HydrophobicContact CE1-CD1 4.28Å; L106-L189 HydrophobicContact CD1-CD2 4.08Å; A136-L189 HydrophobicContact CB-CB 4.24Å; A136-L189 HydrophobicContact CB-CD2 3.89Å; V165-L189 WeakPolarHBondContact CA-O 3.34Å; V165-L189 HydrophobicContact CG2-CB 4.44Å; V165-L189 HydrophobicContact CG2-CD2 4.07Å; M166-L189 PolarHBondContact N-O 3.37Å; L189-R191 HydrophobicContact CD2-CG 4.19Å; L189-R191 HydrophobicContact CG-CG 4.18Å; L189-G239 WeakPolarHBondContact CA-O 3.49Å; L189-I241 HydrophobicContact CD1-CG1 4Å
190	F	98.8	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.7	165	-73.3	-91.6	0	0	0	110.5	M166 L178 T180 F192 I228 V231 V238 G239 V240 I241	M166-F190 HydrophobicContact CB-CD1 3.44Å; M166-F190 VanDerWaalsContact CB-CD1 3.44Å; M166-F190 HydrophobicContact CB-CE1 3.68Å; M166-F190 HydrophobicContact CB-CG 3.96Å; M166-F190 HydrophobicContact CB-CZ 4.34Å; M166-F190 HydrophobicContact CG-CD1 4.38Å; M166-F190 HydrophobicContact CG-CE1 4.3Å; M166-F190 VanDerWaalsContact O-CA 3.31Å; M166-F190 WeakPolarHBondContact O-CA 3.39Å; M166-F190 HydrophobicContact SD-CD1 4.14Å; M166-F190 HydrophobicContact SD-CD2 4.06Å; M166-F190 HydrophobicContact SD-CE1 3.65Å; M166-F190 HydrophobicContact SD-CE2 3.52Å; M166-F190 VanDerWaalsContact SD-CE2 3.52Å; M166-F190 HydrophobicContact SD-CG 4.36Å; M166-F190 HydrophobicContact SD-CZ 3.32Å; M166-F190 WeakPolarHBondContact SD-CZ 3.43Å; L178-F190 HydrophobicContact CD1-CD1 4.39Å; L178-F190 HydrophobicContact CD1-CE1 4.36Å; T180-F190 HydrophobicContact CG2-CE1 3.91Å; T180-F190 HydrophobicContact CG2-CZ 4.25Å; F190-F192 HydrophobicContact CB-CD1 4.36Å; F190-F192 HydrophobicContact CB-CE1 3.74Å; F190-F192 HydrophobicContact CB-CZ 3.91Å; F190-F192 AromaticContact CD1-CE1 3.58Å; F190-F192 HydrophobicContact CD1-CE1 3.58Å; F190-F192 AromaticContact CD1-CZ 3.87Å; F190-F192 HydrophobicContact CD1-CZ 3.87Å; F190-F192 HydrophobicContact CG-CE1 4.03Å; F190-F192 HydrophobicContact CG-CZ 4.09Å; F190-I228 HydrophobicContact CD1-CG1 4.44Å; F190-I228 HydrophobicContact CD2-CG1 3.87Å; F190-I228 HydrophobicContact CE1-CG1 4.27Å; F190-I228 HydrophobicContact CE2-CB 4.24Å; F190-I228 HydrophobicContact CE2-CG1 3.7Å; F190-I228 HydrophobicContact CG-CG1 4.22Å; F190-I228 HydrophobicContact CZ-CB 4.49Å; F190-I228 HydrophobicContact CZ-CG1 3.89Å; F190-V231 HydrophobicContact CE2-CB 4.02Å; F190-V231 HydrophobicContact CE2-CG1 4.04Å; F190-V231 HydrophobicContact CE2-CG2 4.11Å; F190-V231 HydrophobicContact CZ-CB 4.16Å; F190-V231 HydrophobicContact CZ-CG2 3.77Å; F190-V238 HydrophobicContact CD2-CG1 3.73Å; F190-V238 HydrophobicContact CE2-CG1 3.85Å; F190-G239 PolarHBondContact N-O 3.25Å; F190-V240 HydrophobicContact CB-CB 4.45Å; F190-V240 HydrophobicContact CB-CG1 4.26Å; F190-V240 HydrophobicContact CB-CG2 4.27Å; F190-V240 HydrophobicContact CD2-CG2 4.27Å; F190-I241 PolarHBondContact O-N 2.9Å
191	R	98.6	Very high	94.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	116.7	169.8	-66.8	-171.7	79.4	-121.4	9.1	110.2	E34 E138 V165 M166 V167 D168 L189 H193 I241 N243	E34-R191 IonicContact OE1-CZ 2.65Å; E34-R191 IonicContact OE1-NE 3.54Å; E34-R191 IonicContact OE1-NH2 3.88Å; E34-R191 PolarHBondContact OE1-NH2 3.02Å; E34-R191 IonicContact OE2-CZ 2.92Å; E34-R191 IonicContact OE2-NE 3.74Å; E34-R191 PolarHBondContact OE2-NE 3.38Å; E34-R191 IonicContact OE2-NH2 3.24Å; E34-R191 PolarHBondContact OE2-NH2 2.84Å; E138-R191 IonicContact OE1-NH1 2.98Å; E138-R191 PolarHBondContact OE1-NH1 2.92Å; E138-R191 WeakPolarHBondContact OE2-CD 3.17Å; E138-R191 IonicContact OE2-CZ 3.92Å; E138-R191 IonicContact OE2-NE 2.8Å; E138-R191 IonicContact OE2-NH1 2.61Å; E138-R191 PolarHBondContact OE2-NH1 3.13Å; V165-R191 HydrophobicContact CG1-CB 3.88Å; V165-R191 HydrophobicContact CG1-CG 3.63Å; M166-R191 PolarHBondContact O-N 2.84Å; V167-R191 WeakPolarHBondContact CA-O 3.4Å; D168-R191 PolarHBondContact N-O 3.42Å; L189-R191 HydrophobicContact CD2-CG 4.19Å; L189-R191 HydrophobicContact CG-CG 4.18Å; R191-H193 PolarHBondContact NH1-CE1 3.26Å; R191-H193 PolarHBondContact NH1-NE2 3.18Å; R191-I241 WeakPolarHBondContact CA-O 3.36Å; R191-I241 HydrophobicContact CG-CB 4.34Å; R191-N243 PolarHBondContact NH2-ND2 3.43Å
192	F	98.2	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	105.1	-174.1	-62.5	-21.6	0	0	0	110.4	D168 F190 Y216 L224 I228 V240 I241 F242 N243 L257	D168-F192 HydrophobicContact CB-CD1 3.48Å; D168-F192 VanDerWaalsContact CB-CD1 3.48Å; D168-F192 HydrophobicContact CB-CE1 4Å; D168-F192 HydrophobicContact CB-CG 4.32Å; F190-F192 HydrophobicContact CB-CD1 4.36Å; F190-F192 HydrophobicContact CB-CE1 3.74Å; F190-F192 HydrophobicContact CB-CZ 3.91Å; F190-F192 AromaticContact CD1-CE1 3.58Å; F190-F192 HydrophobicContact CD1-CE1 3.58Å; F190-F192 AromaticContact CD1-CZ 3.87Å; F190-F192 HydrophobicContact CD1-CZ 3.87Å; F190-F192 HydrophobicContact CG-CE1 4.03Å; F190-F192 HydrophobicContact CG-CZ 4.09Å; F192-Y216 HydrophobicContact CB-CE2 4.02Å; F192-L224 HydrophobicContact CD2-CD1 4.34Å; F192-L224 HydrophobicContact CE1-CD2 3.98Å; F192-L224 HydrophobicContact CE2-CB 4.35Å; F192-L224 HydrophobicContact CE2-CD1 4.14Å; F192-L224 HydrophobicContact CZ-CB 4.15Å; F192-L224 HydrophobicContact CZ-CD1 4.25Å; F192-L224 HydrophobicContact CZ-CD2 4.01Å; F192-L224 HydrophobicContact CZ-CG 4.37Å; F192-I228 HydrophobicContact CE2-CD1 4Å; F192-I228 HydrophobicContact CZ-CD1 3.85Å; F192-I228 HydrophobicContact CZ-CG1 4.34Å; F192-V240 HydrophobicContact CD2-CG1 3.8Å; F192-V240 HydrophobicContact CE2-CG1 3.38Å; F192-V240 HydrophobicContact CZ-CG1 4.01Å; F192-I241 PolarHBondContact N-O 3.3Å; F192-F242 HydrophobicContact CB-CD1 4.13Å; F192-F242 HydrophobicContact CB-CE1 4.44Å; F192-F242 HydrophobicContact CD2-CD1 4.09Å; F192-F242 HydrophobicContact CD2-CD2 4.39Å; F192-F242 AromaticContact CD2-CE1 3.71Å; F192-F242 HydrophobicContact CD2-CE1 3.71Å; F192-F242 HydrophobicContact CD2-CE2 4.04Å; F192-F242 HydrophobicContact CD2-CG 4.43Å; F192-F242 AromaticContact CD2-CZ 3.71Å; F192-F242 HydrophobicContact CD2-CZ 3.71Å; F192-F242 HydrophobicContact CE2-CE2 4.45Å; F192-F242 HydrophobicContact CE2-CZ 4.16Å; F192-N243 PolarHBondContact O-N 3.15Å; F192-L257 HydrophobicContact CE2-CD2 4.08Å
193	H	96.1	Very high	93.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	20%	0.196	C	C	.	.			trans	-90.3	-11.1	-177.1	-70.7	-59.6	0	0	0	113.9	E138 R140 D168 R191 W200 N243	E138-H193 IonicContact OE1-NE2 2.81Å; E138-H193 PolarHBondContact OE1-NE2 2.84Å; R140-H193 PolarHBondContact NH2-NE2 2.86Å; D168-H193 PolarHBondContact O-N 2.96Å; R191-H193 PolarHBondContact NH1-CE1 3.26Å; R191-H193 PolarHBondContact NH1-NE2 3.18Å; H193-W200 HydrophobicContact CB-CH2 3.77Å; H193-W200 HydrophobicContact CB-CZ3 4.18Å; H193-N243 PolarHBondContact CE1-ND2 3.37Å; H193-N243 VanDerWaalsContact CE1-ND2 3.25Å; H193-N243 PolarHBondContact ND1-ND2 3.43Å
194	G	95.5	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.			trans	87.4	164.4	-168.1	0	0	0	0	0	112.2	E169 P170 Y216	E169-G194 WeakPolarHBondContact CA-O 3.47Å; P170-G194 WeakPolarHBondContact CD-O 3.37Å; G194-Y216 WeakPolarHBondContact CA-OH 3.47Å; G194-Y216 PolarHBondContact N-OH 3.21Å
195	R	95.1	Very high	92	Very high	68 Å²	68	46.2 Å²	46.2	26%	0.257	26%	0.255	S	S	.	.			trans	-114.1	38.1	-174.8	-57.1	172.4	179.6	176.7	-9.4	112.5	D168 Q197 Y214 Y216 E220	D168-R195 IonicContact OD1-CZ 2.9Å; D168-R195 IonicContact OD1-NE 2.62Å; D168-R195 PolarHBondContact OD1-NE 3.3Å; D168-R195 IonicContact OD1-NH2 3.5Å; D168-R195 PolarHBondContact OD1-NH2 2.94Å; D168-R195 WeakPolarHBondContact OD2-CG 3.16Å; D168-R195 IonicContact OD2-CZ 2.75Å; D168-R195 IonicContact OD2-NE 2.66Å; D168-R195 PolarHBondContact OD2-NE 2.75Å; D168-R195 IonicContact OD2-NH2 3.48Å; R195-Q197 VanDerWaalsContact C-N 3.31Å; R195-Q197 PolarHBondContact O-N 2.81Å; R195-Y214 HydrophobicContact CB-CD2 4.45Å; R195-Y214 HydrophobicContact CB-CE1 4.06Å; R195-Y214 HydrophobicContact CB-CE2 3.89Å; R195-Y214 HydrophobicContact CG-CE1 4.36Å; R195-Y214 VanDerWaalsContact N-CD1 3.34Å; R195-Y214 VanDerWaalsContact N-CG 3.28Å; R195-Y216 HydrophobicContact CG-CE1 4.36Å; R195-E220 WeakPolarHBondContact CD-OE1 3.36Å; R195-E220 IonicContact CZ-OE1 3.6Å; R195-E220 IonicContact NE-OE1 2.62Å; R195-E220 IonicContact NH1-OE1 3.47Å; R195-E220 PolarHBondContact NH1-OE1 3.16Å
196	N	93.2	Very high	91.4	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.123	25%	0.251	C	S	.	.			trans	-72.6	83.5	178	-167.5	-24	0	0	0	111.9	A198 Y199 W200 K210 L213 Y214	N196-A198 VanDerWaalsContact C-N 3.35Å; N196-A198 PolarHBondContact O-N 2.85Å; N196-A198 PolarHBondContact OD1-N 2.78Å; N196-Y199 WeakPolarHBondContact OD1-CD2 3.44Å; N196-Y199 PolarHBondContact OD1-N 2.89Å; N196-W200 WeakPolarHBondContact O-CB 3Å; N196-W200 PolarHBondContact O-N 2.65Å; N196-K210 PolarHBondContact ND2-O 3.32Å; N196-K210 VanDerWaalsContact ND2-O 3.17Å; N196-L213 PolarHBondContact ND2-O 2.98Å; N196-Y214 HydrophobicContact CB-CD2 4.23Å
197	Q	90.7	Very high	90.6	Very high	123 Å²	123	45.5 Å²	45.5	58%	0.575	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-62.1	-39.1	-177.7	-167.1	179.1	-1.3	0	0	113	P170 L172 R195 Y199 W200	P170-Q197 HydrophobicContact CB-CB 4.18Å; P170-Q197 HydrophobicContact CB-CG 4.45Å; L172-Q197 HydrophobicContact CD1-CG 4.09Å; L172-Q197 HydrophobicContact CD2-CG 3.51Å; L172-Q197 HydrophobicContact CG-CG 3.93Å; R195-Q197 VanDerWaalsContact C-N 3.31Å; R195-Q197 PolarHBondContact O-N 2.81Å; Q197-Y199 VanDerWaalsContact C-N 3.28Å; Q197-Y199 PolarHBondContact O-N 3.4Å; Q197-W200 PolarHBondContact O-N 3.46Å
198	A	86.7	Confident	89.7	Confident	83 Å²	83	52.6 Å²	52.6	69%	0.686	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-63.2	-33.1	-174.2	0	0	0	0	0	113.1	N196	N196-A198 VanDerWaalsContact C-N 3.35Å; N196-A198 PolarHBondContact O-N 2.85Å; N196-A198 PolarHBondContact OD1-N 2.78Å
199	Y	84.5	Confident	89	Confident	105 Å²	105	58.6 Å²	58.6	41%	0.412	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-113.3	7.3	-176.8	-63.7	-73.5	0	0	0	113.9	N196 Q197 N201 D202 K210	N196-Y199 WeakPolarHBondContact OD1-CD2 3.44Å; N196-Y199 PolarHBondContact OD1-N 2.89Å; Q197-Y199 VanDerWaalsContact C-N 3.28Å; Q197-Y199 PolarHBondContact O-N 3.4Å; Y199-N201 VanDerWaalsContact C-N 3.33Å; Y199-N201 PolarHBondContact O-N 3.33Å; Y199-D202 HydrophobicContact CD1-CB 4.13Å; Y199-D202 WeakPolarHBondContact CD1-OD2 3.41Å; Y199-D202 PolarHBondContact O-N 2.82Å; Y199-K210 HydrophobicContact CD1-CB 4.18Å; Y199-K210 HydrophobicContact CD1-CD 3.61Å; Y199-K210 HydrophobicContact CD1-CG 4.42Å; Y199-K210 HydrophobicContact CE1-CD 3.99Å; Y199-K210 HydrophobicContact CG-CB 3.89Å; Y199-K210 HydrophobicContact CG-CD 4.18Å
200	W	86.5	Confident	88.5	Confident	13 Å²	13	61.4 Å²	61.4	5%	0.049	31%	0.308	C	S	.	.	S	Bend	trans	-61.6	-43.5	-175.1	-164.7	-101.7	0	0	0	112.9	E169 P170 L172 T175 H193 N196 Q197 R203 R211	E169-W200 HydrophobicContact CB-CH2 3.41Å; E169-W200 VanDerWaalsContact CB-CH2 3.41Å; E169-W200 HydrophobicContact CB-CZ2 3.55Å; E169-W200 HydrophobicContact CB-CZ3 4.17Å; E169-W200 HydrophobicContact CG-CH2 4.46Å; E169-W200 HydrophobicContact CG-CZ2 4.14Å; E169-W200 VanDerWaalsContact OE2-CZ2 3.23Å; E169-W200 WeakPolarHBondContact OE2-CZ2 3.39Å; P170-W200 VanDerWaalsContact CD-CD2 3.42Å; P170-W200 HydrophobicContact CG-CB 4.07Å; P170-W200 HydrophobicContact CG-CD2 3.5Å; P170-W200 VanDerWaalsContact CG-CD2 3.5Å; P170-W200 HydrophobicContact CG-CE3 3.28Å; P170-W200 HydrophobicContact CG-CG 3.83Å; P170-W200 HydrophobicContact CG-CZ3 3.92Å; L172-W200 HydrophobicContact CD1-CB 3.81Å; L172-W200 HydrophobicContact CD1-CG 4.1Å; T175-W200 VanDerWaalsContact CG2-CD1 3.48Å; T175-W200 HydrophobicContact CG2-CG 4.38Å; H193-W200 HydrophobicContact CB-CH2 3.77Å; H193-W200 HydrophobicContact CB-CZ3 4.18Å; N196-W200 WeakPolarHBondContact O-CB 3Å; N196-W200 PolarHBondContact O-N 2.65Å; Q197-W200 PolarHBondContact O-N 3.46Å; W200-R203 PolarHBondContact O-NH1 2.95Å; W200-R211 HydrophobicContact CD2-CG 3.79Å; W200-R211 HydrophobicContact CE3-CG 3.26Å; W200-R211 HydrophobicContact CH2-CG 4.02Å; W200-R211 HydrophobicContact CZ2-CG 4.43Å; W200-R211 HydrophobicContact CZ3-CG 3.42Å; W200-R211 VanDerWaalsContact CZ3-CG 3.42Å
201	N	83.4	Confident	88.1	Confident	68 Å²	68	63.4 Å²	63.4	36%	0.364	32%	0.315	S	S	.	.	S	Bend	trans	-102.8	0.6	-179.7	-67.9	-25.1	0	0	0	113.3	D174 Y199 R203	D174-N201 VanDerWaalsContact CG-ND2 3.29Å; D174-N201 PolarHBondContact OD1-ND2 2.94Å; D174-N201 VanDerWaalsContact OD2-CG 3.24Å; D174-N201 PolarHBondContact OD2-ND2 3.42Å; D174-N201 PolarHBondContact OD2-OD1 3.2Å; Y199-N201 VanDerWaalsContact C-N 3.33Å; Y199-N201 PolarHBondContact O-N 3.33Å; N201-R203 PolarHBondContact O-N 3.37Å
202	D	82.7	Confident	87.7	Confident	36 Å²	36	63.9 Å²	63.9	19%	0.193	32%	0.319	C	S	.	.			trans	-63.1	126.7	168	-175.2	5.6	0	0	0	107.9	Y199 T204 W207 K210	Y199-D202 HydrophobicContact CD1-CB 4.13Å; Y199-D202 WeakPolarHBondContact CD1-OD2 3.41Å; Y199-D202 PolarHBondContact O-N 2.82Å; D202-T204 WeakPolarHBondContact OD1-CA 3.31Å; D202-T204 VanDerWaalsContact OD1-CB 3.28Å; D202-T204 WeakPolarHBondContact OD1-CB 3.43Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.46Å; D202-T204 PolarHBondContact OD1-N 3.26Å; D202-T204 PolarHBondContact OD1-OG1 2.94Å; D202-T204 PolarHBondContact OD2-OG1 3.09Å; D202-W207 WeakPolarHBondContact O-CB 3.32Å; D202-K210 IonicContact OD2-NZ 2.79Å; D202-K210 PolarHBondContact OD2-NZ 2.89Å
203	R	82.6	Confident	87.4	Confident	131 Å²	131	67.9 Å²	67.9	49%	0.494	34%	0.339	S	S	.	.			trans	-114.1	11.7	175.2	-60	-63.6	178.9	-119.9	-5.1	111.7	W200 N201	W200-R203 PolarHBondContact O-NH1 2.95Å; N201-R203 PolarHBondContact O-N 3.37Å
204	T	83	Confident	87.4	Confident	90 Å²	90	70.2 Å²	70.2	55%	0.552	35%	0.349	S	S	*	.	S	Bend	trans	-96.2	143.7	-178.9	72.6	0	0	0	0	112.3	D202 K210	D202-T204 WeakPolarHBondContact OD1-CA 3.31Å; D202-T204 VanDerWaalsContact OD1-CB 3.28Å; D202-T204 WeakPolarHBondContact OD1-CB 3.43Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.46Å; D202-T204 PolarHBondContact OD1-N 3.26Å; D202-T204 PolarHBondContact OD1-OG1 2.94Å; D202-T204 PolarHBondContact OD2-OG1 3.09Å; T204-K210 PolarHBondContact O-NZ 3.4Å
205	G	85	Confident	87.4	Confident	70 Å²	70	75.6 Å²	75.6	72%	0.722	37%	0.369	S	S	*	.	S	Bend	trans	60.3	-143.2	-179.4	0	0	0	0	0	112.8	W207	G205-W207 PolarHBondContact O-N 2.99Å
206	D	83.9	Confident	87.6	Confident	77 Å²	77	72.4 Å²	72.4	41%	0.412	36%	0.357	S	S	.	.	S	Bend	trans	-80	58.2	176.2	-160.4	-15	0	0	0	111.7	R208 K209 K210	D206-R208 PolarHBondContact O-N 3.38Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-K209 HydrophobicContact CB-CB 4.47Å; D206-K209 PolarHBondContact O-N 2.91Å; D206-K209 VanDerWaalsContact O-N 3.08Å; D206-K209 WeakPolarHBondContact OD1-CG 3.35Å; D206-K209 PolarHBondContact OD1-N 2.69Å; D206-K209 WeakPolarHBondContact OD2-CD 3.22Å; D206-K209 WeakPolarHBondContact OD2-CE 3.39Å; D206-K209 WeakPolarHBondContact OD2-CG 3.49Å; D206-K209 IonicContact OD2-NZ 2.73Å; D206-K209 PolarHBondContact OD2-NZ 3.49Å; D206-K210 PolarHBondContact O-N 2.88Å; D206-K210 VanDerWaalsContact O-N 3.13Å
207	W	81.2	Confident	87.7	Confident	55 Å²	55	75.2 Å²	75.2	21%	0.208	37%	0.372	C	S	.	.	H	α-helix	trans	-58.1	-30.5	-174.7	66.1	-93.8	0	0	0	113.3	D202 G205 K210 R211	D202-W207 WeakPolarHBondContact O-CB 3.32Å; G205-W207 PolarHBondContact O-N 2.99Å; W207-K210 PolarHBondContact O-N 3.41Å; W207-R211 WeakPolarHBondContact O-CB 3.36Å; W207-R211 PolarHBondContact O-N 2.97Å
208	R	80.6	Confident	87.7	Confident	160 Å²	160	75.4 Å²	75.4	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-61.4	-46.2	176.8	-72	-171.2	179.2	91.9	-2.3	110.7	D206 T212	D206-R208 PolarHBondContact O-N 3.38Å; D206-R208 VanDerWaalsContact O-N 3.16Å; R208-T212 PolarHBondContact O-OG1 2.98Å
209	K	84.6	Confident	88.1	Confident	126 Å²	126	74.4 Å²	74.4	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-43.2	175.1	-72.7	-169.2	-167	136.4	0	111.6	D206 R211 T212 L213 S246	D206-K209 HydrophobicContact CB-CB 4.47Å; D206-K209 PolarHBondContact O-N 2.91Å; D206-K209 VanDerWaalsContact O-N 3.08Å; D206-K209 WeakPolarHBondContact OD1-CG 3.35Å; D206-K209 PolarHBondContact OD1-N 2.69Å; D206-K209 WeakPolarHBondContact OD2-CD 3.22Å; D206-K209 WeakPolarHBondContact OD2-CE 3.39Å; D206-K209 WeakPolarHBondContact OD2-CG 3.49Å; D206-K209 IonicContact OD2-NZ 2.73Å; D206-K209 PolarHBondContact OD2-NZ 3.49Å; K209-R211 VanDerWaalsContact C-N 3.32Å; K209-R211 PolarHBondContact O-N 2.76Å; K209-T212 PolarHBondContact O-N 3.17Å; K209-L213 PolarHBondContact O-N 2.87Å; K209-S246 WeakPolarHBondContact CA-OG 3.25Å; K209-S246 WeakPolarHBondContact O-CB 3.45Å; K209-S246 PolarHBondContact O-OG 3.47Å
210	K	88.1	Confident	88.7	Confident	60 Å²	60	70.3 Å²	70.3	26%	0.261	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-40.3	-179.4	-59.9	179.2	-172.6	164.4	0	112.4	N196 Y199 D202 T204 D206 W207 T212 L213	N196-K210 PolarHBondContact ND2-O 3.32Å; N196-K210 VanDerWaalsContact ND2-O 3.17Å; Y199-K210 HydrophobicContact CD1-CB 4.18Å; Y199-K210 HydrophobicContact CD1-CD 3.61Å; Y199-K210 HydrophobicContact CD1-CG 4.42Å; Y199-K210 HydrophobicContact CE1-CD 3.99Å; Y199-K210 HydrophobicContact CG-CB 3.89Å; Y199-K210 HydrophobicContact CG-CD 4.18Å; D202-K210 IonicContact OD2-NZ 2.79Å; D202-K210 PolarHBondContact OD2-NZ 2.89Å; T204-K210 PolarHBondContact O-NZ 3.4Å; D206-K210 PolarHBondContact O-N 2.88Å; D206-K210 VanDerWaalsContact O-N 3.13Å; W207-K210 PolarHBondContact O-N 3.41Å; K210-T212 VanDerWaalsContact C-N 3.33Å; K210-T212 PolarHBondContact O-N 2.91Å; K210-L213 WeakPolarHBondContact O-CB 3.38Å; K210-L213 PolarHBondContact O-N 3.15Å
211	R	89.1	Confident	89.1	Confident	41 Å²	41	69.7 Å²	69.7	16%	0.155	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-42.7	-177.9	-174.7	179.1	67.9	167.9	6.5	112.9	W200 W207 K209	W200-R211 HydrophobicContact CD2-CG 3.79Å; W200-R211 HydrophobicContact CE3-CG 3.26Å; W200-R211 HydrophobicContact CH2-CG 4.02Å; W200-R211 HydrophobicContact CZ2-CG 4.43Å; W200-R211 HydrophobicContact CZ3-CG 3.42Å; W200-R211 VanDerWaalsContact CZ3-CG 3.42Å; W207-R211 WeakPolarHBondContact O-CB 3.36Å; W207-R211 PolarHBondContact O-N 2.97Å; K209-R211 VanDerWaalsContact C-N 3.32Å; K209-R211 PolarHBondContact O-N 2.76Å
212	T	90.7	Very high	89.5	Confident	11 Å²	11	72 Å²	72	7%	0.067	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	11.8	-177.8	50	0	0	0	0	113.3	R208 K209 K210 Y214 N243 N244 S246	R208-T212 PolarHBondContact O-OG1 2.98Å; K209-T212 PolarHBondContact O-N 3.17Å; K210-T212 VanDerWaalsContact C-N 3.33Å; K210-T212 PolarHBondContact O-N 2.91Å; T212-Y214 PolarHBondContact O-N 3.25Å; T212-Y214 VanDerWaalsContact O-N 3.09Å; T212-N243 VanDerWaalsContact CB-O 3.26Å; T212-N243 WeakPolarHBondContact CB-O 3.26Å; T212-N243 VanDerWaalsContact CG2-O 3.28Å; T212-N243 WeakPolarHBondContact CG2-O 3.41Å; T212-N244 CarbonylContact O-C 3.54Å; T212-N244 VanDerWaalsContact O-CA 3.3Å; T212-N244 WeakPolarHBondContact O-CA 3.26Å; T212-S246 PolarHBondContact OG1-OG 3.28Å
213	L	93.3	Very high	90.1	Very high	83 Å²	83	74.2 Å²	74.2	44%	0.435	36%	0.364	S	S	.	.			trans	-78.7	87.7	173.9	-177.6	64.7	0	0	0	109.3	N196 K209 K210	N196-L213 PolarHBondContact ND2-O 2.98Å; K209-L213 PolarHBondContact O-N 2.87Å; K210-L213 WeakPolarHBondContact O-CB 3.38Å; K210-L213 PolarHBondContact O-N 3.15Å
214	Y	95.5	Very high	90.8	Very high	52 Å²	52	68 Å²	68	20%	0.204	34%	0.341	C	S	.	.			trans	-156	133.3	-174.8	-166	-98.8	0	0	0	111.7	R195 N196 T212 Y216 E220 N244	R195-Y214 HydrophobicContact CB-CD2 4.45Å; R195-Y214 HydrophobicContact CB-CE1 4.06Å; R195-Y214 HydrophobicContact CB-CE2 3.89Å; R195-Y214 HydrophobicContact CG-CE1 4.36Å; R195-Y214 VanDerWaalsContact N-CD1 3.34Å; R195-Y214 VanDerWaalsContact N-CG 3.28Å; N196-Y214 HydrophobicContact CB-CD2 4.23Å; T212-Y214 PolarHBondContact O-N 3.25Å; T212-Y214 VanDerWaalsContact O-N 3.09Å; Y214-Y216 HydrophobicContact CD1-CD1 4.2Å; Y214-Y216 HydrophobicContact CD1-CD2 4.22Å; Y214-Y216 HydrophobicContact CD1-CE1 4.28Å; Y214-Y216 HydrophobicContact CD1-CE2 4.29Å; Y214-Y216 HydrophobicContact CD1-CG 4.19Å; Y214-Y216 AromaticContact CE1-CD1 3.76Å; Y214-Y216 HydrophobicContact CE1-CD1 3.76Å; Y214-Y216 AromaticContact CE1-CE1 4Å; Y214-Y216 HydrophobicContact CE1-CE1 4Å; Y214-Y216 HydrophobicContact CE1-CG 4.08Å; Y214-E220 PolarHBondContact OH-OE1 3.33Å; Y214-E220 PolarHBondContact OH-OE2 3.24Å; Y214-N244 WeakPolarHBondContact O-CB 3.32Å; Y214-N244 PolarHBondContact O-ND2 3.03Å
215	R	95.9	Very high	91.3	Very high	113 Å²	113	64 Å²	64	43%	0.426	32%	0.317	S	S	.	.			trans	-106.9	115.6	169.6	-169.8	175.4	-174.5	88.4	-5	109	N217 D249 D252	R215-N217 PolarHBondContact O-N 2.94Å; R215-D249 HydrophobicContact CB-CB 4.16Å; R215-D249 WeakPolarHBondContact CB-OD1 3.45Å; R215-D249 VanDerWaalsContact CD-OD1 3.26Å; R215-D249 WeakPolarHBondContact CD-OD1 3.47Å; R215-D249 HydrophobicContact CG-CB 4.21Å; R215-D249 VanDerWaalsContact CG-OD1 3.31Å; R215-D249 WeakPolarHBondContact CG-OD1 3.28Å; R215-D249 IonicContact CZ-OD1 2.76Å; R215-D249 IonicContact NE-OD1 3.7Å; R215-D249 IonicContact NH1-OD1 2.65Å; R215-D249 PolarHBondContact NH1-OD1 2.86Å; R215-D252 IonicContact CZ-OD2 3.56Å; R215-D252 IonicContact NH1-OD2 3.47Å; R215-D252 PolarHBondContact NH1-OD2 3.02Å; R215-D252 IonicContact NH2-OD2 3.37Å; R215-D252 PolarHBondContact NH2-OD2 3.33Å
216	Y	97.9	Very high	91.7	Very high	1 Å²	1	65.3 Å²	65.3	0%	0.004	30%	0.304	C	S	.	.			trans	-64.2	132.3	170.7	-70.7	-82.3	0	0	0	109.5	D168 F192 G194 R195 Y214 E220 L221 L224 F242 N244 N253	D168-Y216 WeakPolarHBondContact OD2-CE1 3.33Å; D168-Y216 VanDerWaalsContact OD2-CZ 3.3Å; D168-Y216 PolarHBondContact OD2-OH 3.39Å; F192-Y216 HydrophobicContact CB-CE2 4.02Å; G194-Y216 WeakPolarHBondContact CA-OH 3.47Å; G194-Y216 PolarHBondContact N-OH 3.21Å; R195-Y216 HydrophobicContact CG-CE1 4.36Å; Y214-Y216 HydrophobicContact CD1-CD1 4.2Å; Y214-Y216 HydrophobicContact CD1-CD2 4.22Å; Y214-Y216 HydrophobicContact CD1-CE1 4.28Å; Y214-Y216 HydrophobicContact CD1-CE2 4.29Å; Y214-Y216 HydrophobicContact CD1-CG 4.19Å; Y214-Y216 AromaticContact CE1-CD1 3.76Å; Y214-Y216 HydrophobicContact CE1-CD1 3.76Å; Y214-Y216 AromaticContact CE1-CE1 4Å; Y214-Y216 HydrophobicContact CE1-CE1 4Å; Y214-Y216 HydrophobicContact CE1-CG 4.08Å; Y216-E220 HydrophobicContact CD1-CB 4.14Å; Y216-L221 HydrophobicContact CG-CD2 4.25Å; Y216-L224 HydrophobicContact CD1-CD1 3.9Å; Y216-L224 HydrophobicContact CE1-CD1 3.8Å; Y216-F242 HydrophobicContact CD2-CD1 4.3Å; Y216-F242 HydrophobicContact CD2-CE1 4.04Å; Y216-F242 HydrophobicContact CE2-CD1 4.34Å; Y216-F242 HydrophobicContact CE2-CE1 4.33Å; Y216-N244 HydrophobicContact CE2-CB 4.46Å; Y216-N253 PolarHBondContact N-OD1 3.34Å; Y216-N253 PolarHBondContact O-ND2 3.4Å
217	N	95.9	Very high	92.3	Very high	81 Å²	81	64.9 Å²	64.9	43%	0.433	30%	0.299	S	S	.	.			trans	-85.5	172.5	175	70.9	57.1	0	0	0	111.6	R215 A219 E220 L221	R215-N217 PolarHBondContact O-N 2.94Å; N217-A219 VanDerWaalsContact C-N 3.33Å; N217-A219 PolarHBondContact O-N 3.02Å; N217-A219 WeakPolarHBondContact OD1-CA 3.45Å; N217-A219 WeakPolarHBondContact OD1-CB 3.39Å; N217-A219 PolarHBondContact OD1-N 3.34Å; N217-E220 PolarHBondContact N-OE2 3.3Å; N217-E220 PolarHBondContact ND2-OE2 3.38Å; N217-E220 VanDerWaalsContact ND2-OE2 3.12Å; N217-E220 PolarHBondContact O-N 3.33Å; N217-E220 PolarHBondContact OD1-N 3.35Å; N217-L221 WeakPolarHBondContact O-CG 3.41Å; N217-L221 PolarHBondContact O-N 2.9Å
218	E	91.5	Very high	93.1	Very high	128 Å²	128	62.2 Å²	62.2	60%	0.598	29%	0.289	S	S	*	.	H	α-helix	trans	-59.3	-38	-177.6	-74.2	-158.3	-174.2	0	0	114.8	K222 R260	E218-K222 WeakPolarHBondContact O-CB 3.35Å; E218-K222 PolarHBondContact O-N 2.92Å; E218-R260 IonicContact OE2-NH2 3.46Å; E218-R260 PolarHBondContact OE2-NH2 3.38Å
219	A	93.7	Very high	93.6	Very high	61 Å²	61	57.5 Å²	57.5	50%	0.504	27%	0.274	S	S	.	.	H	α-helix	trans	-69.7	-38.9	-179.8	0	0	0	0	0	110.7	N217 K222 I223	N217-A219 VanDerWaalsContact C-N 3.33Å; N217-A219 PolarHBondContact O-N 3.02Å; N217-A219 WeakPolarHBondContact OD1-CA 3.45Å; N217-A219 WeakPolarHBondContact OD1-CB 3.39Å; N217-A219 PolarHBondContact OD1-N 3.34Å; A219-K222 WeakPolarHBondContact O-CB 3.48Å; A219-K222 PolarHBondContact O-N 2.82Å; A219-I223 WeakPolarHBondContact O-CG1 3.49Å; A219-I223 PolarHBondContact O-N 2.71Å; A219-I223 VanDerWaalsContact O-N 3.13Å
220	E	97.2	Very high	94.1	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-46.8	175.8	-64.7	179.4	120.6	0	0	111.8	R195 Y214 Y216 N217 K222 I223 L224	R195-E220 WeakPolarHBondContact CD-OE1 3.36Å; R195-E220 IonicContact CZ-OE1 3.6Å; R195-E220 IonicContact NE-OE1 2.62Å; R195-E220 IonicContact NH1-OE1 3.47Å; R195-E220 PolarHBondContact NH1-OE1 3.16Å; Y214-E220 PolarHBondContact OH-OE1 3.33Å; Y214-E220 PolarHBondContact OH-OE2 3.24Å; Y216-E220 HydrophobicContact CD1-CB 4.14Å; N217-E220 PolarHBondContact N-OE2 3.3Å; N217-E220 PolarHBondContact ND2-OE2 3.38Å; N217-E220 VanDerWaalsContact ND2-OE2 3.12Å; N217-E220 PolarHBondContact O-N 3.33Å; N217-E220 PolarHBondContact OD1-N 3.35Å; E220-K222 PolarHBondContact O-N 3.19Å; E220-I223 PolarHBondContact O-N 3.19Å; E220-I223 VanDerWaalsContact O-N 3.15Å; E220-L224 WeakPolarHBondContact O-CB 3.18Å; E220-L224 WeakPolarHBondContact O-CG 3.47Å; E220-L224 PolarHBondContact O-N 3.16Å
221	L	96	Very high	94.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-31	176.2	-69	-178.8	0	0	0	112.2	Y216 N217 G225 F242 N253 Q256 L257	Y216-L221 HydrophobicContact CG-CD2 4.25Å; N217-L221 WeakPolarHBondContact O-CG 3.41Å; N217-L221 PolarHBondContact O-N 2.9Å; L221-G225 PolarHBondContact O-N 2.83Å; L221-F242 HydrophobicContact CD2-CE1 4.01Å; L221-F242 HydrophobicContact CD2-CZ 3.99Å; L221-N253 HydrophobicContact CD2-CB 4.44Å; L221-Q256 HydrophobicContact CD1-CB 3.62Å; L221-L257 HydrophobicContact CD2-CB 4.44Å
222	K	90.5	Very high	94.8	Very high	117 Å²	117	52.4 Å²	52.4	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-52.7	172	-176.5	-175.1	173.1	-173.1	0	111.1	E218 A219 E220 L224 G225 E226	E218-K222 WeakPolarHBondContact O-CB 3.35Å; E218-K222 PolarHBondContact O-N 2.92Å; A219-K222 WeakPolarHBondContact O-CB 3.48Å; A219-K222 PolarHBondContact O-N 2.82Å; E220-K222 PolarHBondContact O-N 3.19Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.08Å; K222-G225 PolarHBondContact O-N 3.43Å; K222-E226 WeakPolarHBondContact CE-OE1 3.43Å; K222-E226 WeakPolarHBondContact O-CG 3.36Å; K222-E226 PolarHBondContact O-N 3.44Å
223	I	95.5	Very high	94.9	Very high	82 Å²	82	59.2 Å²	59.2	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-41.9	-179.7	-66.1	164.8	0	0	0	111.1	A219 E220 E226 K227	A219-I223 WeakPolarHBondContact O-CG1 3.49Å; A219-I223 PolarHBondContact O-N 2.71Å; A219-I223 VanDerWaalsContact O-N 3.13Å; E220-I223 PolarHBondContact O-N 3.19Å; E220-I223 VanDerWaalsContact O-N 3.15Å; I223-E226 PolarHBondContact O-N 3.01Å; I223-K227 WeakPolarHBondContact O-CG 3.47Å; I223-K227 PolarHBondContact O-N 3.4Å; I223-K227 VanDerWaalsContact O-N 3.15Å
224	L	97.4	Very high	95	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-41.1	176.1	-68.9	173.9	0	0	0	111.3	D168 L178 F192 Y216 E220 K222 K227 I228	D168-L224 HydrophobicContact CB-CD2 4.38Å; L178-L224 HydrophobicContact CD2-CD2 3.71Å; F192-L224 HydrophobicContact CD2-CD1 4.34Å; F192-L224 HydrophobicContact CE1-CD2 3.98Å; F192-L224 HydrophobicContact CE2-CB 4.35Å; F192-L224 HydrophobicContact CE2-CD1 4.14Å; F192-L224 HydrophobicContact CZ-CB 4.15Å; F192-L224 HydrophobicContact CZ-CD1 4.25Å; F192-L224 HydrophobicContact CZ-CD2 4.01Å; F192-L224 HydrophobicContact CZ-CG 4.37Å; Y216-L224 HydrophobicContact CD1-CD1 3.9Å; Y216-L224 HydrophobicContact CE1-CD1 3.8Å; E220-L224 WeakPolarHBondContact O-CB 3.18Å; E220-L224 WeakPolarHBondContact O-CG 3.47Å; E220-L224 PolarHBondContact O-N 3.16Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.08Å; L224-K227 PolarHBondContact O-N 3.11Å; L224-I228 WeakPolarHBondContact O-CD1 3.44Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.48Å; L224-I228 PolarHBondContact O-N 2.91Å
225	G	94.6	Very high	95	Very high	5 Å²	5	58.3 Å²	58.3	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-47.3	174.3	0	0	0	0	0	112.7	L221 K222 K227 I228 Q229	L221-G225 PolarHBondContact O-N 2.83Å; K222-G225 PolarHBondContact O-N 3.43Å; G225-K227 VanDerWaalsContact C-N 3.33Å; G225-K227 PolarHBondContact O-N 2.97Å; G225-I228 PolarHBondContact O-N 2.81Å; G225-Q229 VanDerWaalsContact O-CG 3.32Å; G225-Q229 WeakPolarHBondContact O-CG 3.37Å; G225-Q229 PolarHBondContact O-N 3.23Å
226	E	93.3	Very high	95	Very high	98 Å²	98	59.9 Å²	59.9	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-42.6	177.2	-70.2	166.9	-174.8	0	0	111.8	K222 I223 Q229 Q230	K222-E226 WeakPolarHBondContact CE-OE1 3.43Å; K222-E226 WeakPolarHBondContact O-CG 3.36Å; K222-E226 PolarHBondContact O-N 3.44Å; I223-E226 PolarHBondContact O-N 3.01Å; E226-Q229 PolarHBondContact O-N 2.99Å; E226-Q230 PolarHBondContact O-N 2.91Å
227	K	97	Very high	94.9	Very high	68 Å²	68	62.4 Å²	62.4	30%	0.296	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-45.2	174.8	-74.5	174.8	175.3	-74.9	0	112.4	L178 T180 I223 L224 G225 Q229 Q230 V231	L178-K227 HydrophobicContact CD2-CD 3.59Å; L178-K227 HydrophobicContact CG-CD 4.39Å; T180-K227 HydrophobicContact CG2-CB 4.29Å; T180-K227 HydrophobicContact CG2-CD 4.2Å; T180-K227 HydrophobicContact CG2-CG 4.43Å; I223-K227 WeakPolarHBondContact O-CG 3.47Å; I223-K227 PolarHBondContact O-N 3.4Å; I223-K227 VanDerWaalsContact O-N 3.15Å; L224-K227 PolarHBondContact O-N 3.11Å; G225-K227 VanDerWaalsContact C-N 3.33Å; G225-K227 PolarHBondContact O-N 2.97Å; K227-Q229 VanDerWaalsContact C-N 3.32Å; K227-Q229 PolarHBondContact O-N 3.4Å; K227-Q230 PolarHBondContact O-N 2.77Å; K227-V231 WeakPolarHBondContact O-CG2 3.38Å; K227-V231 PolarHBondContact O-N 2.83Å
228	I	96.7	Very high	95	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-44.4	177	-70.8	159.4	0	0	0	110.6	I2 F190 F192 L224 G225 Q230 V231 A232 V238 V240 L257 L261	I2-I228 HydrophobicContact CD1-CG2 3.8Å; I2-I228 HydrophobicContact CG1-CG2 4.1Å; I2-I228 HydrophobicContact CG2-CG2 3.92Å; F190-I228 HydrophobicContact CD1-CG1 4.44Å; F190-I228 HydrophobicContact CD2-CG1 3.87Å; F190-I228 HydrophobicContact CE1-CG1 4.27Å; F190-I228 HydrophobicContact CE2-CB 4.24Å; F190-I228 HydrophobicContact CE2-CG1 3.7Å; F190-I228 HydrophobicContact CG-CG1 4.22Å; F190-I228 HydrophobicContact CZ-CB 4.49Å; F190-I228 HydrophobicContact CZ-CG1 3.89Å; F192-I228 HydrophobicContact CE2-CD1 4Å; F192-I228 HydrophobicContact CZ-CD1 3.85Å; F192-I228 HydrophobicContact CZ-CG1 4.34Å; L224-I228 WeakPolarHBondContact O-CD1 3.44Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.48Å; L224-I228 PolarHBondContact O-N 2.91Å; G225-I228 PolarHBondContact O-N 2.81Å; I228-Q230 VanDerWaalsContact C-N 3.35Å; I228-Q230 PolarHBondContact O-N 2.84Å; I228-V231 PolarHBondContact O-N 2.99Å; I228-A232 WeakPolarHBondContact O-CB 3.38Å; I228-A232 PolarHBondContact O-N 3.4Å; I228-V238 HydrophobicContact CG2-CG1 4.2Å; I228-V240 HydrophobicContact CD1-CG1 4.16Å; I228-V240 HydrophobicContact CD1-CG2 3.77Å; I228-V240 HydrophobicContact CG1-CG2 4.06Å; I228-V240 HydrophobicContact CG2-CG2 4.19Å; I228-L257 HydrophobicContact CD1-CD1 4.39Å; I228-L257 HydrophobicContact CD1-CD2 3.62Å; I228-L257 HydrophobicContact CD1-CG 4.49Å; I228-L261 HydrophobicContact CD1-CD1 4.31Å; I228-L261 HydrophobicContact CG2-CD1 3.97Å
229	Q	92.1	Very high	95.3	Very high	61 Å²	61	52.5 Å²	52.5	29%	0.285	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-38.2	178.5	-69.4	178.6	-66.7	0	0	112.5	G225 E226 K227 A232 K233 L261 T264	G225-Q229 VanDerWaalsContact O-CG 3.32Å; G225-Q229 WeakPolarHBondContact O-CG 3.37Å; G225-Q229 PolarHBondContact O-N 3.23Å; E226-Q229 PolarHBondContact O-N 2.99Å; K227-Q229 VanDerWaalsContact C-N 3.32Å; K227-Q229 PolarHBondContact O-N 3.4Å; Q229-A232 PolarHBondContact O-N 2.77Å; Q229-K233 WeakPolarHBondContact O-CG 3.3Å; Q229-K233 PolarHBondContact O-N 3.2Å; Q229-L261 HydrophobicContact CG-CD2 3.67Å; Q229-T264 PolarHBondContact NE2-OG1 3.17Å
230	Q	94.6	Very high	95.5	Very high	87 Å²	87	49.6 Å²	49.6	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-46.1	175.7	-176.5	55.7	34.1	0	0	111	E226 K227 I228 A232 K233 E234	E226-Q230 PolarHBondContact O-N 2.91Å; K227-Q230 PolarHBondContact O-N 2.77Å; I228-Q230 VanDerWaalsContact C-N 3.35Å; I228-Q230 PolarHBondContact O-N 2.84Å; Q230-A232 VanDerWaalsContact C-N 3.3Å; Q230-A232 PolarHBondContact O-N 3.41Å; Q230-K233 WeakPolarHBondContact O-CB 3.21Å; Q230-K233 PolarHBondContact O-N 2.8Å; Q230-K233 VanDerWaalsContact O-N 3.16Å; Q230-E234 PolarHBondContact NE2-OE1 2.93Å; Q230-E234 VanDerWaalsContact NE2-OE1 3.15Å
231	V	97.2	Very high	95.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-37.9	175.6	168.8	0	0	0	0	111.9	M166 V182 F190 K227 I228 K233 E234 T235 V238	M166-V231 HydrophobicContact CE-CB 4.46Å; M166-V231 HydrophobicContact CE-CG1 3.76Å; M166-V231 HydrophobicContact CE-CG2 3.81Å; M166-V231 HydrophobicContact SD-CB 4.46Å; M166-V231 HydrophobicContact SD-CG1 4.06Å; M166-V231 HydrophobicContact SD-CG2 3.73Å; V182-V231 HydrophobicContact CG2-CB 4.5Å; V182-V231 HydrophobicContact CG2-CG1 3.98Å; V182-V231 HydrophobicContact CG2-CG2 4.42Å; F190-V231 HydrophobicContact CE2-CB 4.02Å; F190-V231 HydrophobicContact CE2-CG1 4.04Å; F190-V231 HydrophobicContact CE2-CG2 4.11Å; F190-V231 HydrophobicContact CZ-CB 4.16Å; F190-V231 HydrophobicContact CZ-CG2 3.77Å; K227-V231 WeakPolarHBondContact O-CG2 3.38Å; K227-V231 PolarHBondContact O-N 2.83Å; I228-V231 PolarHBondContact O-N 2.99Å; V231-K233 PolarHBondContact O-N 3.3Å; V231-E234 PolarHBondContact O-N 3Å; V231-T235 PolarHBondContact O-N 3.37Å; V231-T235 VanDerWaalsContact O-N 3.1Å; V231-T235 PolarHBondContact O-OG1 3.28Å; V231-V238 HydrophobicContact CG1-CG2 3.99Å
232	A	94.1	Very high	95.7	Very high	30 Å²	30	48.6 Å²	48.6	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-15.4	178.2	0	0	0	0	0	114.2	I2 I228 Q229 Q230 V238	I2-A232 HydrophobicContact CD1-CB 3.92Å; I2-A232 HydrophobicContact CG1-CB 3.91Å; I228-A232 WeakPolarHBondContact O-CB 3.38Å; I228-A232 PolarHBondContact O-N 3.4Å; Q229-A232 PolarHBondContact O-N 2.77Å; Q230-A232 VanDerWaalsContact C-N 3.3Å; Q230-A232 PolarHBondContact O-N 3.41Å; A232-V238 HydrophobicContact CB-CG2 3.93Å
233	K	92.9	Very high	95.9	Very high	154 Å²	154	44 Å²	44	67%	0.67	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-24.1	172	-64.1	169.3	-169	169.1	0	112.7	Q229 Q230 V231	Q229-K233 WeakPolarHBondContact O-CG 3.3Å; Q229-K233 PolarHBondContact O-N 3.2Å; Q230-K233 WeakPolarHBondContact O-CB 3.21Å; Q230-K233 PolarHBondContact O-N 2.8Å; Q230-K233 VanDerWaalsContact O-N 3.16Å; V231-K233 PolarHBondContact O-N 3.3Å
234	E	96.2	Very high	95.9	Very high	110 Å²	110	40.1 Å²	40.1	51%	0.514	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-7.3	-172	-67.2	173.1	-139.5	0	0	112.5	V182 Q230 V231	V182-E234 HydrophobicContact CB-CB 4.44Å; V182-E234 HydrophobicContact CG2-CB 3.94Å; Q230-E234 PolarHBondContact NE2-OE1 2.93Å; Q230-E234 VanDerWaalsContact NE2-OE1 3.15Å; V231-E234 PolarHBondContact O-N 3Å
235	T	95.9	Very high	95.5	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.043	20%	0.198	C	C	.	.			trans	-130.6	139.5	-177.7	-50	0	0	0	0	111.4	V182 P185 S188 V231 E237	V182-T235 WeakPolarHBondContact CG1-OG1 3.49Å; P185-T235 WeakPolarHBondContact O-CA 3.06Å; S188-T235 PolarHBondContact OG-OG1 3.46Å; V231-T235 PolarHBondContact O-N 3.37Å; V231-T235 VanDerWaalsContact O-N 3.1Å; V231-T235 PolarHBondContact O-OG1 3.28Å; T235-E237 WeakPolarHBondContact CG2-O 3.39Å
236	K	94.6	Very high	95.2	Very high	145 Å²	145	43.5 Å²	43.5	63%	0.63	21%	0.21	S	C	*	.	S	Bend	trans	-61.8	-45.8	177.1	-63.3	175.8	-176.7	162.9	0	112.5	M1 P185 N186	M1-K236 PolarHBondContact N-O 3.47Å; P185-K236 PolarHBondContact O-N 2.85Å; N186-K236 WeakPolarHBondContact O-CB 3.36Å; N186-K236 PolarHBondContact OD1-NZ 2.85Å
237	E	95.4	Very high	95	Very high	55 Å²	55	40.8 Å²	40.8	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.1	179.4	-54	-156.4	146.7	0	0	113.1	M1 R3 F103 N186 F187 S188 T235	M1-E237 CarbonylContact O-C 3.46Å; M1-E237 WeakPolarHBondContact O-CA 3.36Å; R3-E237 IonicContact CZ-OE1 3.86Å; R3-E237 IonicContact CZ-OE2 3.34Å; R3-E237 IonicContact NH1-OE1 2.69Å; R3-E237 PolarHBondContact NH1-OE1 2.8Å; R3-E237 VanDerWaalsContact NH1-OE1 3.16Å; R3-E237 IonicContact NH1-OE2 3.61Å; R3-E237 PolarHBondContact NH1-OE2 3.14Å; R3-E237 IonicContact NH2-OE1 3.03Å; R3-E237 PolarHBondContact NH2-OE1 2.79Å; R3-E237 IonicContact NH2-OE2 3.86Å; F103-E237 HydrophobicContact CE2-CB 3.84Å; F103-E237 HydrophobicContact CZ-CB 4.25Å; N186-E237 PolarHBondContact O-N 3.39Å; F187-E237 CarbonylContact C-O 3.07Å; F187-E237 WeakPolarHBondContact CA-O 3.15Å; F187-E237 HydrophobicContact CB-CB 4.36Å; S188-E237 PolarHBondContact N-O 2.93Å; T235-E237 WeakPolarHBondContact CG2-O 3.39Å
238	V	98.1	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121	176.2	-176.8	0	0	0	0	109	M1 I2 R3 S188 F190 I228 V231 A232 V240	M1-V238 PolarHBondContact O-N 3.01Å; I2-V238 CarbonylContact C-O 3.6Å; I2-V238 WeakPolarHBondContact CA-O 3.41Å; I2-V238 HydrophobicContact CG1-CB 4.16Å; R3-V238 PolarHBondContact N-O 3.18Å; S188-V238 CarbonylContact O-C 3.5Å; S188-V238 WeakPolarHBondContact O-CA 3.41Å; F190-V238 HydrophobicContact CD2-CG1 3.73Å; F190-V238 HydrophobicContact CE2-CG1 3.85Å; I228-V238 HydrophobicContact CG2-CG1 4.2Å; V231-V238 HydrophobicContact CG1-CG2 3.99Å; A232-V238 HydrophobicContact CB-CG2 3.93Å; V238-V240 HydrophobicContact CG1-CG2 4.29Å
239	G	98.3	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139	171.3	0	0	0	0	0	109.4	R3 S188 L189 F190	R3-G239 CarbonylContact O-C 3.51Å; R3-G239 WeakPolarHBondContact O-CA 3.47Å; S188-G239 PolarHBondContact O-N 3.17Å; L189-G239 WeakPolarHBondContact CA-O 3.49Å; F190-G239 PolarHBondContact N-O 3.25Å
240	V	98.6	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.2	175.4	-177.1	0	0	0	0	108	I2 R3 I4 G5 F190 F192 I228 V238 F242 L257	I2-V240 HydrophobicContact CG2-CG2 4.21Å; R3-V240 PolarHBondContact O-N 2.91Å; I4-V240 CarbonylContact C-O 3.6Å; I4-V240 WeakPolarHBondContact CA-O 3.33Å; I4-V240 HydrophobicContact CG1-CB 4.27Å; G5-V240 PolarHBondContact N-O 3.29Å; F190-V240 HydrophobicContact CB-CB 4.45Å; F190-V240 HydrophobicContact CB-CG1 4.26Å; F190-V240 HydrophobicContact CB-CG2 4.27Å; F190-V240 HydrophobicContact CD2-CG2 4.27Å; F192-V240 HydrophobicContact CD2-CG1 3.8Å; F192-V240 HydrophobicContact CE2-CG1 3.38Å; F192-V240 HydrophobicContact CZ-CG1 4.01Å; I228-V240 HydrophobicContact CD1-CG1 4.16Å; I228-V240 HydrophobicContact CD1-CG2 3.77Å; I228-V240 HydrophobicContact CG1-CG2 4.06Å; I228-V240 HydrophobicContact CG2-CG2 4.19Å; V238-V240 HydrophobicContact CG1-CG2 4.29Å; V240-F242 HydrophobicContact CG1-CD2 4.4Å; V240-F242 HydrophobicContact CG1-CE2 4.07Å; V240-L257 HydrophobicContact CG1-CD2 4.03Å
241	I	98.6	Very high	94.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.8	178.8	-60.4	-65.2	0	0	0	110	G5 T7 L32 E34 V62 L189 F190 R191 F192	G5-I241 WeakPolarHBondContact O-CA 3.28Å; T7-I241 HydrophobicContact CG2-CG2 3.44Å; T7-I241 VanDerWaalsContact CG2-CG2 3.44Å; L32-I241 HydrophobicContact CD2-CD1 3.61Å; L32-I241 HydrophobicContact CD2-CG1 4.34Å; L32-I241 HydrophobicContact CG-CD1 3.89Å; E34-I241 HydrophobicContact CB-CD1 3.93Å; E34-I241 HydrophobicContact CB-CG1 4.18Å; E34-I241 HydrophobicContact CB-CG2 4.05Å; E34-I241 WeakPolarHBondContact OE2-CG2 3.19Å; V62-I241 HydrophobicContact CG2-CD1 4.29Å; V62-I241 HydrophobicContact CG2-CG1 4.35Å; L189-I241 HydrophobicContact CD1-CG1 4Å; F190-I241 PolarHBondContact O-N 2.9Å; R191-I241 WeakPolarHBondContact CA-O 3.36Å; R191-I241 HydrophobicContact CG-CB 4.34Å; F192-I241 PolarHBondContact N-O 3.3Å
242	F	98	Very high	94.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.6	167.4	-74.6	-96	0	0	0	110.3	I4 G5 L6 T7 F192 Y216 L221 V240 N244 A250 N253 A254 L257	I4-F242 HydrophobicContact CG2-CD2 4.1Å; I4-F242 HydrophobicContact CG2-CE2 3.95Å; G5-F242 PolarHBondContact O-N 2.61Å; L6-F242 HydrophobicContact CD2-CB 3.76Å; T7-F242 PolarHBondContact N-O 2.8Å; F192-F242 HydrophobicContact CB-CD1 4.13Å; F192-F242 HydrophobicContact CB-CE1 4.44Å; F192-F242 HydrophobicContact CD2-CD1 4.09Å; F192-F242 HydrophobicContact CD2-CD2 4.39Å; F192-F242 AromaticContact CD2-CE1 3.71Å; F192-F242 HydrophobicContact CD2-CE1 3.71Å; F192-F242 HydrophobicContact CD2-CE2 4.04Å; F192-F242 HydrophobicContact CD2-CG 4.43Å; F192-F242 AromaticContact CD2-CZ 3.71Å; F192-F242 HydrophobicContact CD2-CZ 3.71Å; F192-F242 HydrophobicContact CE2-CE2 4.45Å; F192-F242 HydrophobicContact CE2-CZ 4.16Å; Y216-F242 HydrophobicContact CD2-CD1 4.3Å; Y216-F242 HydrophobicContact CD2-CE1 4.04Å; Y216-F242 HydrophobicContact CE2-CD1 4.34Å; Y216-F242 HydrophobicContact CE2-CE1 4.33Å; L221-F242 HydrophobicContact CD2-CE1 4.01Å; L221-F242 HydrophobicContact CD2-CZ 3.99Å; V240-F242 HydrophobicContact CG1-CD2 4.4Å; V240-F242 HydrophobicContact CG1-CE2 4.07Å; F242-N244 WeakPolarHBondContact CD1-OD1 3.48Å; F242-A250 HydrophobicContact CB-CB 3.98Å; F242-N253 HydrophobicContact CD1-CB 3.88Å; F242-N253 HydrophobicContact CE1-CB 3.58Å; F242-N253 HydrophobicContact CZ-CB 4.22Å; F242-A254 HydrophobicContact CD2-CB 3.69Å; F242-A254 HydrophobicContact CE2-CB 3.99Å; F242-A254 HydrophobicContact CG-CB 4.34Å; F242-L257 HydrophobicContact CE2-CB 4.23Å; F242-L257 HydrophobicContact CE2-CD2 3.68Å; F242-L257 HydrophobicContact CZ-CB 3.98Å; F242-L257 HydrophobicContact CZ-CD2 3.64Å; F242-L257 HydrophobicContact CZ-CG 4.45Å
243	N	95.8	Very high	94.5	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.112	19%	0.187	C	C	.	.			trans	-123.5	21.6	177.7	-166.3	3.2	0	0	0	112	T7 R191 F192 H193 T212 N245	T7-N243 HydrophobicContact CG2-CB 3.53Å; T7-N243 VanDerWaalsContact CG2-CG 3.42Å; T7-N243 PolarHBondContact OG1-OD1 3.3Å; R191-N243 PolarHBondContact NH2-ND2 3.43Å; F192-N243 PolarHBondContact O-N 3.15Å; H193-N243 PolarHBondContact CE1-ND2 3.37Å; H193-N243 VanDerWaalsContact CE1-ND2 3.25Å; H193-N243 PolarHBondContact ND1-ND2 3.43Å; T212-N243 VanDerWaalsContact CB-O 3.26Å; T212-N243 WeakPolarHBondContact CB-O 3.26Å; T212-N243 VanDerWaalsContact CG2-O 3.28Å; T212-N243 WeakPolarHBondContact CG2-O 3.41Å; N243-N245 PolarHBondContact O-N 3.13Å; N243-N245 PolarHBondContact OD1-ND2 3.21Å; N243-N245 VanDerWaalsContact OD1-ND2 3.09Å
244	N	94.7	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.			trans	-88.4	48.6	173.9	62.8	-47.8	0	0	0	111.4	T212 Y214 Y216 F242 S246 A250 N253	T212-N244 CarbonylContact O-C 3.54Å; T212-N244 VanDerWaalsContact O-CA 3.3Å; T212-N244 WeakPolarHBondContact O-CA 3.26Å; Y214-N244 WeakPolarHBondContact O-CB 3.32Å; Y214-N244 PolarHBondContact O-ND2 3.03Å; Y216-N244 HydrophobicContact CE2-CB 4.46Å; F242-N244 WeakPolarHBondContact CD1-OD1 3.48Å; N244-S246 PolarHBondContact O-N 2.86Å; N244-A250 PolarHBondContact O-N 3.02Å; N244-A250 VanDerWaalsContact OD1-CA 3.28Å; N244-A250 WeakPolarHBondContact OD1-CA 3.5Å; N244-A250 WeakPolarHBondContact OD1-CB 3.46Å; N244-N253 PolarHBondContact ND2-OD1 3.06Å
245	N	89.8	Confident	94.4	Very high	33 Å²	33	25 Å²	25	18%	0.176	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-75.8	-20.9	-167.7	-58.9	-62.2	0	0	0	114.3	T7 H12 N243 G247 G248 A250	T7-N245 PolarHBondContact OG1-ND2 3.42Å; H12-N245 PolarHBondContact CE1-OD1 2.93Å; H12-N245 VanDerWaalsContact CE1-OD1 3.24Å; N243-N245 PolarHBondContact O-N 3.13Å; N243-N245 PolarHBondContact OD1-ND2 3.21Å; N243-N245 VanDerWaalsContact OD1-ND2 3.09Å; N245-G247 PolarHBondContact O-N 2.99Å; N245-G247 VanDerWaalsContact O-N 3.09Å; N245-G248 PolarHBondContact O-N 2.75Å; N245-A250 WeakPolarHBondContact OD1-CB 3.38Å
246	S	88.4	Confident	94.2	Very high	42 Å²	42	27.2 Å²	27.2	29%	0.294	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-61.8	-27.4	-165	-53.5	0	0	0	0	115	K209 T212 N244	K209-S246 WeakPolarHBondContact CA-OG 3.25Å; K209-S246 WeakPolarHBondContact O-CB 3.45Å; K209-S246 PolarHBondContact O-OG 3.47Å; T212-S246 PolarHBondContact OG1-OG 3.28Å; N244-S246 PolarHBondContact O-N 2.86Å
247	G	87.4	Confident	94.1	Very high	42 Å²	42	20.3 Å²	20.3	43%	0.433	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-98.5	1.5	175.4	0	0	0	0	0	114.2	N245 D249	N245-G247 PolarHBondContact O-N 2.99Å; N245-G247 VanDerWaalsContact O-N 3.09Å; G247-D249 VanDerWaalsContact C-N 3.26Å
248	G	89.6	Confident	93.8	Very high	38 Å²	38	21 Å²	21	39%	0.392	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	11.1	-167.6	0	0	0	0	0	113.9	N245	N245-G248 PolarHBondContact O-N 2.75Å
249	D	93.7	Very high	93	Very high	23 Å²	23	24.7 Å²	24.7	12%	0.123	14%	0.144	C	C	.	.	H	α-helix	trans	-80.4	-22.7	-171.1	-66.6	-65.7	0	0	0	114.7	R215 G247 A251 D252 N253	R215-D249 HydrophobicContact CB-CB 4.16Å; R215-D249 WeakPolarHBondContact CB-OD1 3.45Å; R215-D249 VanDerWaalsContact CD-OD1 3.26Å; R215-D249 WeakPolarHBondContact CD-OD1 3.47Å; R215-D249 HydrophobicContact CG-CB 4.21Å; R215-D249 VanDerWaalsContact CG-OD1 3.31Å; R215-D249 WeakPolarHBondContact CG-OD1 3.28Å; R215-D249 IonicContact CZ-OD1 2.76Å; R215-D249 IonicContact NE-OD1 3.7Å; R215-D249 IonicContact NH1-OD1 2.65Å; R215-D249 PolarHBondContact NH1-OD1 2.86Å; G247-D249 VanDerWaalsContact C-N 3.26Å; D249-A251 PolarHBondContact O-N 2.77Å; D249-D252 PolarHBondContact O-N 2.92Å; D249-N253 WeakPolarHBondContact O-CB 3.49Å; D249-N253 PolarHBondContact O-N 3.18Å
250	A	95.6	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-44.9	-172.2	0	0	0	0	0	113	L6 F242 N244 N245 N253 A254	L6-A250 HydrophobicContact CD2-CB 3.98Å; L6-A250 WeakPolarHBondContact CD2-O 3.43Å; F242-A250 HydrophobicContact CB-CB 3.98Å; N244-A250 PolarHBondContact O-N 3.02Å; N244-A250 VanDerWaalsContact OD1-CA 3.28Å; N244-A250 WeakPolarHBondContact OD1-CA 3.5Å; N244-A250 WeakPolarHBondContact OD1-CB 3.46Å; N245-A250 WeakPolarHBondContact OD1-CB 3.38Å; A250-N253 PolarHBondContact O-N 2.71Å; A250-A254 VanDerWaalsContact O-CB 3.23Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 3.16Å
251	A	93.4	Very high	91.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-48	178.2	0	0	0	0	0	112.3	L6 H12 S14 L15 D249 N253 A254 M255	L6-A251 HydrophobicContact CD1-CB 3.92Å; H12-A251 HydrophobicContact CB-CB 4.1Å; S14-A251 WeakPolarHBondContact OG-CB 3.4Å; L15-A251 HydrophobicContact CD1-CB 4.17Å; L15-A251 HydrophobicContact CD2-CB 3.97Å; L15-A251 HydrophobicContact CG-CB 3.74Å; D249-A251 PolarHBondContact O-N 2.77Å; A251-N253 PolarHBondContact O-N 3.1Å; A251-A254 PolarHBondContact O-N 3.22Å; A251-M255 WeakPolarHBondContact O-CG 3.35Å; A251-M255 PolarHBondContact O-N 3.02Å
252	D	93.2	Very high	89.8	Confident	51 Å²	51	28.5 Å²	28.5	27%	0.273	17%	0.166	S	C	.	.	H	α-helix	trans	-63.3	-43.8	178.7	-71.8	6	0	0	0	111.6	S14 R215 D249 M255 Q256	S14-D252 WeakPolarHBondContact CB-OD1 3.16Å; S14-D252 PolarHBondContact OG-OD1 3.18Å; R215-D252 IonicContact CZ-OD2 3.56Å; R215-D252 IonicContact NH1-OD2 3.47Å; R215-D252 PolarHBondContact NH1-OD2 3.02Å; R215-D252 IonicContact NH2-OD2 3.37Å; R215-D252 PolarHBondContact NH2-OD2 3.33Å; D249-D252 PolarHBondContact O-N 2.92Å; D252-M255 PolarHBondContact O-N 3.45Å; D252-Q256 WeakPolarHBondContact O-CB 3.31Å; D252-Q256 VanDerWaalsContact O-CG 3.22Å; D252-Q256 WeakPolarHBondContact O-CG 3.4Å; D252-Q256 PolarHBondContact O-N 3.3Å; D252-Q256 PolarHBondContact O-NE2 2.81Å
253	N	96.9	Very high	87.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-39.4	177.6	-75.2	157	0	0	0	111.7	Y216 L221 F242 N244 D249 A250 A251 Q256 L257	Y216-N253 PolarHBondContact N-OD1 3.34Å; Y216-N253 PolarHBondContact O-ND2 3.4Å; L221-N253 HydrophobicContact CD2-CB 4.44Å; F242-N253 HydrophobicContact CD1-CB 3.88Å; F242-N253 HydrophobicContact CE1-CB 3.58Å; F242-N253 HydrophobicContact CZ-CB 4.22Å; N244-N253 PolarHBondContact ND2-OD1 3.06Å; D249-N253 WeakPolarHBondContact O-CB 3.49Å; D249-N253 PolarHBondContact O-N 3.18Å; A250-N253 PolarHBondContact O-N 2.71Å; A251-N253 PolarHBondContact O-N 3.1Å; N253-Q256 PolarHBondContact O-N 2.89Å; N253-L257 WeakPolarHBondContact O-CB 3.47Å; N253-L257 PolarHBondContact O-N 3.33Å
254	A	95.5	Very high	85.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-44.5	173.2	0	0	0	0	0	111.9	I4 L6 L30 F242 A250 A251 L257 K258	I4-A254 HydrophobicContact CG2-CB 3.81Å; L6-A254 HydrophobicContact CD2-CB 3.64Å; L30-A254 HydrophobicContact CD1-CB 4.21Å; L30-A254 HydrophobicContact CD2-CB 4.39Å; F242-A254 HydrophobicContact CD2-CB 3.69Å; F242-A254 HydrophobicContact CE2-CB 3.99Å; F242-A254 HydrophobicContact CG-CB 4.34Å; A250-A254 VanDerWaalsContact O-CB 3.23Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 3.16Å; A251-A254 PolarHBondContact O-N 3.22Å; A254-L257 PolarHBondContact O-N 3.49Å; A254-K258 VanDerWaalsContact O-CB 3.26Å; A254-K258 WeakPolarHBondContact O-CB 3.03Å; A254-K258 PolarHBondContact O-N 3.26Å
255	M	90.8	Very high	84.7	Confident	68 Å²	68	35.8 Å²	35.8	34%	0.335	20%	0.203	S	C	.	.	H	α-helix	trans	-67.9	-39.6	177.4	-69.7	-58	-68.5	0	0	112.4	L15 L30 A251 D252 K258 K259	L15-M255 HydrophobicContact CD2-CG 3.68Å; L15-M255 HydrophobicContact CD2-SD 4.13Å; L30-M255 HydrophobicContact CD2-SD 4.08Å; A251-M255 WeakPolarHBondContact O-CG 3.35Å; A251-M255 PolarHBondContact O-N 3.02Å; D252-M255 PolarHBondContact O-N 3.45Å; M255-K258 PolarHBondContact O-N 3.4Å; M255-K258 HydrophobicContact SD-CD 4.26Å; M255-K259 WeakPolarHBondContact O-CB 3.38Å; M255-K259 PolarHBondContact O-N 2.81Å
256	Q	91.5	Very high	84.7	Confident	54 Å²	54	34.6 Å²	34.6	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-43.7	174	-74.9	170.7	49.1	0	0	111.7	L221 D252 N253 R260	L221-Q256 HydrophobicContact CD1-CB 3.62Å; D252-Q256 WeakPolarHBondContact O-CB 3.31Å; D252-Q256 VanDerWaalsContact O-CG 3.22Å; D252-Q256 WeakPolarHBondContact O-CG 3.4Å; D252-Q256 PolarHBondContact O-N 3.3Å; D252-Q256 PolarHBondContact O-NE2 2.81Å; N253-Q256 PolarHBondContact O-N 2.89Å; Q256-R260 WeakPolarHBondContact O-CB 3.49Å; Q256-R260 VanDerWaalsContact O-CG 3.28Å; Q256-R260 WeakPolarHBondContact O-CG 3.36Å; Q256-R260 PolarHBondContact O-N 2.93Å
257	L	93.4	Very high	84.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-42.1	175.9	-175.2	65.6	0	0	0	111.5	I4 F192 L221 I228 V240 F242 N253 A254 K259 R260 L261	I4-L257 HydrophobicContact CD1-CB 4.41Å; I4-L257 HydrophobicContact CD1-CD2 4.32Å; I4-L257 HydrophobicContact CD1-CG 4.16Å; F192-L257 HydrophobicContact CE2-CD2 4.08Å; L221-L257 HydrophobicContact CD2-CB 4.44Å; I228-L257 HydrophobicContact CD1-CD1 4.39Å; I228-L257 HydrophobicContact CD1-CD2 3.62Å; I228-L257 HydrophobicContact CD1-CG 4.49Å; V240-L257 HydrophobicContact CG1-CD2 4.03Å; F242-L257 HydrophobicContact CE2-CB 4.23Å; F242-L257 HydrophobicContact CE2-CD2 3.68Å; F242-L257 HydrophobicContact CZ-CB 3.98Å; F242-L257 HydrophobicContact CZ-CD2 3.64Å; F242-L257 HydrophobicContact CZ-CG 4.45Å; N253-L257 WeakPolarHBondContact O-CB 3.47Å; N253-L257 PolarHBondContact O-N 3.33Å; A254-L257 PolarHBondContact O-N 3.49Å; L257-K259 VanDerWaalsContact C-N 3.35Å; L257-K259 PolarHBondContact O-N 3.21Å; L257-R260 CarbonylContact O-C 3.28Å; L257-R260 WeakPolarHBondContact O-CB 3.4Å; L257-R260 PolarHBondContact O-N 3.16Å; L257-R260 VanDerWaalsContact O-N 3.14Å; L257-L261 HydrophobicContact CD1-CD1 4.13Å; L257-L261 HydrophobicContact CD1-CG 4.12Å; L257-L261 HydrophobicContact CD2-CD1 4.29Å; L257-L261 HydrophobicContact CG-CD1 3.88Å; L257-L261 HydrophobicContact CG-CG 4.24Å; L257-L261 WeakPolarHBondContact O-CB 3.36Å; L257-L261 WeakPolarHBondContact O-CG 3.32Å; L257-L261 PolarHBondContact O-N 2.96Å
258	K	88.2	Confident	85.4	Confident	69 Å²	69	34.6 Å²	34.6	30%	0.3	18%	0.179	S	C	.	.	H	α-helix	trans	-55.7	-50.5	174.1	-173.1	-175.6	179.1	-173.4	0	110.4	I4 Y29 L30 A254 M255 R260 L261 G262	I4-K258 VanDerWaalsContact CD1-CA 3.4Å; I4-K258 HydrophobicContact CD1-CB 3.77Å; I4-K258 HydrophobicContact CD1-CG 4.38Å; Y29-K258 PolarHBondContact O-NZ 3.25Å; L30-K258 HydrophobicContact CD2-CD 4.32Å; A254-K258 VanDerWaalsContact O-CB 3.26Å; A254-K258 WeakPolarHBondContact O-CB 3.03Å; A254-K258 PolarHBondContact O-N 3.26Å; M255-K258 PolarHBondContact O-N 3.4Å; M255-K258 HydrophobicContact SD-CD 4.26Å; K258-R260 VanDerWaalsContact C-N 3.3Å; K258-R260 PolarHBondContact O-N 3.34Å; K258-L261 PolarHBondContact O-N 3.4Å; K258-G262 PolarHBondContact O-N 3.2Å
259	K	81.1	Confident	85.8	Confident	77 Å²	77	32.8 Å²	32.8	34%	0.335	16%	0.16	S	C	.	.	H	α-helix	trans	-57.4	-45.4	176.8	-174.6	163	179.6	155.5	0	110.4	M255 L257 R263 D503	M255-K259 WeakPolarHBondContact O-CB 3.38Å; M255-K259 PolarHBondContact O-N 2.81Å; L257-K259 VanDerWaalsContact C-N 3.35Å; L257-K259 PolarHBondContact O-N 3.21Å; K259-R263 WeakPolarHBondContact O-CG 3.27Å; K259-R263 PolarHBondContact O-N 2.79Å; K259-D503 PolarHBondContact NZ-O 3.39Å; K259-D503 VanDerWaalsContact NZ-O 3.14Å; K259-D503 IonicContact NZ-OD1 3.17Å; K259-D503 PolarHBondContact NZ-OD1 3.28Å
260	R	82.4	Confident	86	Confident	49 Å²	49	31.8 Å²	31.8	19%	0.185	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-44.7	178.1	-77.3	171.4	-179.2	-83.3	-6.8	113.9	E218 Q256 L257 K258 R263	E218-R260 IonicContact OE2-NH2 3.46Å; E218-R260 PolarHBondContact OE2-NH2 3.38Å; Q256-R260 WeakPolarHBondContact O-CB 3.49Å; Q256-R260 VanDerWaalsContact O-CG 3.28Å; Q256-R260 WeakPolarHBondContact O-CG 3.36Å; Q256-R260 PolarHBondContact O-N 2.93Å; L257-R260 CarbonylContact O-C 3.28Å; L257-R260 WeakPolarHBondContact O-CB 3.4Å; L257-R260 PolarHBondContact O-N 3.16Å; L257-R260 VanDerWaalsContact O-N 3.14Å; K258-R260 VanDerWaalsContact C-N 3.3Å; K258-R260 PolarHBondContact O-N 3.34Å; R260-R263 VanDerWaalsContact O-CB 3.27Å; R260-R263 WeakPolarHBondContact O-CB 3.35Å; R260-R263 WeakPolarHBondContact O-CG 3.32Å; R260-R263 PolarHBondContact O-N 3.36Å
261	L	81.6	Confident	86.2	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.047	16%	0.155	C	C	.	.	H	α-helix	trans	-73.7	-35.8	178.7	-70.2	176.5	0	0	0	111.5	I2 I4 I228 Q229 L257 K258 R263 T264 M265	I2-L261 HydrophobicContact CD1-CD1 4.44Å; I2-L261 HydrophobicContact CG2-CD1 4.05Å; I4-L261 HydrophobicContact CD1-CD1 3.98Å; I228-L261 HydrophobicContact CD1-CD1 4.31Å; I228-L261 HydrophobicContact CG2-CD1 3.97Å; Q229-L261 HydrophobicContact CG-CD2 3.67Å; L257-L261 HydrophobicContact CD1-CD1 4.13Å; L257-L261 HydrophobicContact CD1-CG 4.12Å; L257-L261 HydrophobicContact CD2-CD1 4.29Å; L257-L261 HydrophobicContact CG-CD1 3.88Å; L257-L261 HydrophobicContact CG-CG 4.24Å; L257-L261 WeakPolarHBondContact O-CB 3.36Å; L257-L261 WeakPolarHBondContact O-CG 3.32Å; L257-L261 PolarHBondContact O-N 2.96Å; K258-L261 PolarHBondContact O-N 3.4Å; L261-R263 PolarHBondContact O-N 3.25Å; L261-T264 PolarHBondContact O-N 2.81Å; L261-T264 PolarHBondContact O-OG1 3Å; L261-M265 PolarHBondContact O-N 3.41Å
262	G	64.9	Low	86.4	Confident	22 Å²	22	32.2 Å²	32.2	23%	0.227	16%	0.157	C	C	.	.	H	α-helix	trans	-54.9	-35.8	169.5	0	0	0	0	0	112.5	K258 T264 M265	K258-G262 PolarHBondContact O-N 3.2Å; G262-T264 PolarHBondContact O-N 3.46Å; G262-T264 VanDerWaalsContact O-N 3.08Å; G262-M265 PolarHBondContact O-N 3.49Å; G262-M265 VanDerWaalsContact O-N 3.12Å
263	R	51.1	Low	86.6	Confident	39 Å²	39	29.8 Å²	29.8	15%	0.147	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.1	173.5	-42.8	-174.8	165.2	150.3	-8.4	114.2	K259 R260 L261 I487 F521 I523	K259-R263 WeakPolarHBondContact O-CG 3.27Å; K259-R263 PolarHBondContact O-N 2.79Å; R260-R263 VanDerWaalsContact O-CB 3.27Å; R260-R263 WeakPolarHBondContact O-CB 3.35Å; R260-R263 WeakPolarHBondContact O-CG 3.32Å; R260-R263 PolarHBondContact O-N 3.36Å; L261-R263 PolarHBondContact O-N 3.25Å; R263-I487 HydrophobicContact CB-CD1 4.32Å; R263-I487 HydrophobicContact CG-CD1 4.25Å; R263-F521 HydrophobicContact CB-CB 4.39Å; R263-F521 HydrophobicContact CB-CD1 4.08Å; R263-F521 WeakPolarHBondContact CB-O 3.4Å; R263-F521 HydrophobicContact CG-CD1 3.67Å; R263-F521 HydrophobicContact CG-CE1 4.28Å; R263-I523 WeakPolarHBondContact O-CD1 3.18Å
264	T	55.5	Low	86.4	Confident	58 Å²	58	32.1 Å²	32.1	36%	0.356	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	0.6	-177.4	43.3	0	0	0	0	113.7	Q229 L261 G262	Q229-T264 PolarHBondContact NE2-OG1 3.17Å; L261-T264 PolarHBondContact O-N 2.81Å; L261-T264 PolarHBondContact O-OG1 3Å; G262-T264 PolarHBondContact O-N 3.46Å; G262-T264 VanDerWaalsContact O-N 3.08Å
265	M	73.9	Confident	86.4	Confident	78 Å²	78	33 Å²	33	38%	0.384	17%	0.166	S	C	.	.			trans	-111.2	4.4	-176.7	-74	-67.5	-57.5	0	0	113.5	L261 G262 K267	L261-M265 PolarHBondContact O-N 3.41Å; G262-M265 PolarHBondContact O-N 3.49Å; G262-M265 VanDerWaalsContact O-N 3.12Å; M265-K267 PolarHBondContact O-N 3.14Å
266	I	89.9	Confident	86.8	Confident	8 Å²	8	29.8 Å²	29.8	4%	0.041	15%	0.15	C	C	.	.			trans	-61.1	123.4	-179.7	-60	-56	0	0	0	110.1	A268 I269 I300 E468 M470 I487 I523	I266-A268 WeakPolarHBondContact CG2-O 3.49Å; I266-I269 HydrophobicContact CG2-CG1 3.82Å; I266-I300 HydrophobicContact CG2-CG2 4.28Å; I266-I300 WeakPolarHBondContact O-CD1 3.49Å; I266-I300 WeakPolarHBondContact O-CG1 3.36Å; I266-E468 CarbonylContact C-O 3.55Å; I266-E468 WeakPolarHBondContact CA-O 3.46Å; I266-M470 HydrophobicContact CD1-CB 4.11Å; I266-M470 HydrophobicContact CG1-CB 4.21Å; I266-M470 HydrophobicContact CG2-CB 3.78Å; I266-I487 HydrophobicContact CD1-CD1 3.95Å; I266-I487 HydrophobicContact CD1-CG1 4.13Å; I266-I487 HydrophobicContact CG1-CD1 4.08Å; I266-I523 HydrophobicContact CB-CD1 3.74Å; I266-I523 HydrophobicContact CG1-CD1 3.67Å; I266-I523 HydrophobicContact CG2-CD1 4.42Å
267	K	93.8	Very high	87.1	Confident	84 Å²	84	27.3 Å²	27.3	37%	0.365	14%	0.139	S	C	.	.			trans	-109.2	-17.7	178.1	-69.3	179.3	179.3	163.1	0	113.1	M265 I300 F301 I464 E468	M265-K267 PolarHBondContact O-N 3.14Å; K267-I300 WeakPolarHBondContact O-CA 3.27Å; K267-F301 PolarHBondContact O-N 3.33Å; K267-I464 HydrophobicContact CB-CD1 3.92Å; K267-I464 HydrophobicContact CB-CG1 4.1Å; K267-I464 HydrophobicContact CB-CG2 4.16Å; K267-I464 HydrophobicContact CD-CG1 4.23Å; K267-E468 HydrophobicContact CB-CB 4.29Å; K267-E468 HydrophobicContact CD-CB 4.38Å; K267-E468 HydrophobicContact CD-CG 4.46Å; K267-E468 WeakPolarHBondContact CE-OE1 3.25Å; K267-E468 HydrophobicContact CG-CB 4.33Å; K267-E468 PolarHBondContact N-O 3.43Å; K267-E468 IonicContact NZ-OE1 2.86Å; K267-E468 PolarHBondContact NZ-OE1 2.83Å; K267-E468 IonicContact NZ-OE2 3.74Å
268	A	97.5	Very high	87.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.9	174	0	0	0	0	0	112.1	I266 F270 F301 F458 I464 E468 V469 M470	I266-A268 WeakPolarHBondContact CG2-O 3.49Å; A268-F270 HydrophobicContact CB-CE2 3.87Å; A268-F301 CarbonylContact C-O 3.56Å; A268-F301 WeakPolarHBondContact CA-O 3.5Å; A268-F301 HydrophobicContact CB-CB 4.16Å; A268-F458 HydrophobicContact CB-CE1 4.16Å; A268-I464 HydrophobicContact CB-CD1 4.12Å; A268-E468 PolarHBondContact N-O 3.16Å; A268-V469 HydrophobicContact CB-CG2 4.44Å; A268-V469 WeakPolarHBondContact O-CA 3.32Å; A268-M470 PolarHBondContact O-N 2.92Å
269	I	98.2	Very high	87.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.5	176	-48.1	175.9	0	0	0	108.8	I266 F271 A295 I300 F301 C302 G303 M470 F472 M518 I523	I266-I269 HydrophobicContact CG2-CG1 3.82Å; I269-F271 HydrophobicContact CB-CE2 4.18Å; I269-F271 HydrophobicContact CB-CZ 3.99Å; I269-F271 HydrophobicContact CG2-CD1 4.31Å; I269-F271 HydrophobicContact CG2-CD2 4.49Å; I269-F271 HydrophobicContact CG2-CE1 3.58Å; I269-F271 HydrophobicContact CG2-CE2 3.79Å; I269-F271 HydrophobicContact CG2-CZ 3.29Å; I269-A295 HydrophobicContact CD1-CB 3.96Å; I269-I300 HydrophobicContact CD1-CG2 3.94Å; I269-I300 HydrophobicContact CG1-CG2 3.68Å; I269-F301 PolarHBondContact N-O 3.17Å; I269-C302 CarbonylContact O-C 3.6Å; I269-C302 WeakPolarHBondContact O-CA 3.05Å; I269-G303 PolarHBondContact O-N 3.14Å; I269-M470 CarbonylContact C-O 3.45Å; I269-M470 VanDerWaalsContact CA-O 3.23Å; I269-M470 WeakPolarHBondContact CA-O 3.48Å; I269-M470 HydrophobicContact CG1-CB 4.23Å; I269-M470 HydrophobicContact CG2-CB 4.26Å; I269-M470 HydrophobicContact CG2-CG 4.34Å; I269-F472 HydrophobicContact CG2-CD2 3.94Å; I269-F472 HydrophobicContact CG2-CE2 3.75Å; I269-M518 HydrophobicContact CD1-CE 3.61Å; I269-M518 HydrophobicContact CD1-SD 4.32Å; I269-I523 HydrophobicContact CD1-CG2 3.85Å
270	F	98.8	Very high	88	Confident	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.7	174.7	-67.1	-90.7	0	0	0	111.5	A268 G303 A305 V324 V326 I455 F458 V469 M470 V471 F472	A268-F270 HydrophobicContact CB-CE2 3.87Å; F270-G303 CarbonylContact C-O 3.58Å; F270-G303 VanDerWaalsContact CA-O 3.31Å; F270-G303 WeakPolarHBondContact CA-O 3.37Å; F270-A305 HydrophobicContact CB-CB 4.34Å; F270-V324 HydrophobicContact CE1-CB 3.95Å; F270-V324 HydrophobicContact CE1-CG1 3.75Å; F270-V324 HydrophobicContact CZ-CB 4.38Å; F270-V324 HydrophobicContact CZ-CG1 4.13Å; F270-V326 HydrophobicContact CD1-CG2 4.25Å; F270-V326 HydrophobicContact CE1-CG2 3.84Å; F270-I455 HydrophobicContact CB-CD1 3.91Å; F270-I455 HydrophobicContact CB-CG1 4.24Å; F270-I455 HydrophobicContact CD1-CG1 3.94Å; F270-I455 HydrophobicContact CD2-CB 4.48Å; F270-I455 HydrophobicContact CD2-CD1 4.14Å; F270-I455 HydrophobicContact CD2-CG1 3.83Å; F270-I455 HydrophobicContact CD2-CG2 3.91Å; F270-I455 HydrophobicContact CE1-CG1 4.22Å; F270-I455 HydrophobicContact CE2-CB 4.42Å; F270-I455 HydrophobicContact CE2-CG1 4.13Å; F270-I455 HydrophobicContact CE2-CG2 3.77Å; F270-I455 HydrophobicContact CG-CD1 3.94Å; F270-I455 HydrophobicContact CG-CG1 3.72Å; F270-I455 HydrophobicContact CZ-CG1 4.31Å; F270-I455 HydrophobicContact CZ-CG2 4.41Å; F270-F458 HydrophobicContact CE2-CD1 4.1Å; F270-F458 HydrophobicContact CZ-CB 4.32Å; F270-F458 AromaticContact CZ-CD1 3.49Å; F270-F458 HydrophobicContact CZ-CD1 3.49Å; F270-F458 VanDerWaalsContact CZ-CD1 3.49Å; F270-F458 HydrophobicContact CZ-CE1 4.06Å; F270-F458 HydrophobicContact CZ-CG 4.04Å; F270-V469 HydrophobicContact CD2-CG1 3.81Å; F270-V469 HydrophobicContact CE2-CG1 4.22Å; F270-M470 PolarHBondContact N-O 2.63Å; F270-V471 HydrophobicContact CB-CG1 4.16Å; F270-V471 CarbonylContact O-C 3.59Å; F270-V471 WeakPolarHBondContact O-CA 3.5Å; F270-F472 PolarHBondContact O-N 2.76Å
271	F	98.7	Very high	88.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.9	178.6	-46.9	-89.2	0	0	0	110.2	I269 T276 L277 I292 C302 G303 V304 A305 F472 I514 M518	I269-F271 HydrophobicContact CB-CE2 4.18Å; I269-F271 HydrophobicContact CB-CZ 3.99Å; I269-F271 HydrophobicContact CG2-CD1 4.31Å; I269-F271 HydrophobicContact CG2-CD2 4.49Å; I269-F271 HydrophobicContact CG2-CE1 3.58Å; I269-F271 HydrophobicContact CG2-CE2 3.79Å; I269-F271 HydrophobicContact CG2-CZ 3.29Å; F271-T276 HydrophobicContact CB-CG2 4.33Å; F271-L277 HydrophobicContact CB-CD1 3.74Å; F271-L277 HydrophobicContact CB-CD2 3.82Å; F271-L277 HydrophobicContact CB-CG 3.5Å; F271-L277 VanDerWaalsContact CB-CG 3.5Å; F271-L277 HydrophobicContact CD1-CD2 4.22Å; F271-L277 HydrophobicContact CD2-CD2 4.13Å; F271-L277 HydrophobicContact CG-CD1 4.43Å; F271-L277 HydrophobicContact CG-CD2 3.8Å; F271-L277 HydrophobicContact CG-CG 4.09Å; F271-I292 HydrophobicContact CE2-CD1 4.23Å; F271-I292 HydrophobicContact CE2-CG1 3.96Å; F271-I292 HydrophobicContact CZ-CG1 4.01Å; F271-C302 HydrophobicContact CE2-CB 4.31Å; F271-G303 VanDerWaalsContact CD2-O 3.28Å; F271-G303 WeakPolarHBondContact CD2-O 3.46Å; F271-G303 PolarHBondContact N-O 3.4Å; F271-V304 CarbonylContact O-C 3.54Å; F271-V304 VanDerWaalsContact O-CA 3.26Å; F271-V304 WeakPolarHBondContact O-CA 3.38Å; F271-A305 PolarHBondContact O-N 2.88Å; F271-F472 HydrophobicContact CD1-CB 3.92Å; F271-F472 AromaticContact CD1-CD2 3.39Å; F271-F472 HydrophobicContact CD1-CD2 3.39Å; F271-F472 HydrophobicContact CD1-CE2 4.05Å; F271-F472 AromaticContact CD1-CG 3.78Å; F271-F472 HydrophobicContact CD1-CG 3.78Å; F271-F472 AromaticContact CE1-CD2 3.4Å; F271-F472 HydrophobicContact CE1-CD2 3.4Å; F271-F472 VanDerWaalsContact CE1-CD2 3.4Å; F271-F472 AromaticContact CE1-CE2 3.56Å; F271-F472 HydrophobicContact CE1-CE2 3.56Å; F271-F472 HydrophobicContact CE1-CG 4.14Å; F271-F472 HydrophobicContact CE1-CZ 4.37Å; F271-F472 HydrophobicContact CG-CD2 4.49Å; F271-F472 HydrophobicContact CZ-CE2 4.5Å; F271-I514 HydrophobicContact CD1-CD1 3.84Å; F271-I514 HydrophobicContact CD1-CG1 4.24Å; F271-I514 HydrophobicContact CD1-CG2 4.31Å; F271-I514 HydrophobicContact CE1-CD1 4.23Å; F271-I514 HydrophobicContact CE1-CG1 4.36Å; F271-I514 HydrophobicContact CE1-CG2 3.62Å; F271-I514 HydrophobicContact CZ-CG2 4.36Å; F271-M518 HydrophobicContact CE1-SD 4.3Å; F271-M518 HydrophobicContact CZ-SD 4.21Å
272	D	98	Very high	88.9	Confident	9 Å²	9	31.1 Å²	31.1	5%	0.048	18%	0.181	C	C	.	.			trans	-64	161.7	155.3	-164.9	23.8	0	0	0	110.5	T276 L277 K451 F472	D272-T276 HydrophobicContact CB-CG2 4.37Å; D272-T276 VanDerWaalsContact O-CB 3.3Å; D272-T276 WeakPolarHBondContact O-CB 3.38Å; D272-T276 WeakPolarHBondContact O-CG2 3.41Å; D272-L277 VanDerWaalsContact O-CG 3.32Å; D272-L277 WeakPolarHBondContact O-CG 3.33Å; D272-L277 PolarHBondContact O-N 2.95Å; D272-K451 IonicContact OD1-NZ 3.73Å; D272-K451 PolarHBondContact OD1-NZ 3.45Å; D272-K451 IonicContact OD2-NZ 3.92Å; D272-K451 PolarHBondContact OD2-NZ 2.96Å; D272-F472 PolarHBondContact N-O 3.45Å
273	I	97.2	Very high	90.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-75.1	178.4	-61.7	-179.5	0	0	0	110.4	G275 T276 L277 I278 V304 T306 I313 R316 I317	I273-G275 PolarHBondContact O-N 3.15Å; I273-T276 PolarHBondContact O-N 2.65Å; I273-T276 VanDerWaalsContact O-N 3.17Å; I273-L277 HydrophobicContact CG1-CD1 4.31Å; I273-L277 PolarHBondContact O-N 3.4Å; I273-I278 HydrophobicContact CG2-CD1 3.79Å; I273-I278 HydrophobicContact CG2-CG1 4.01Å; I273-I278 HydrophobicContact CG2-CG2 4.38Å; I273-I278 WeakPolarHBondContact O-CG1 3.37Å; I273-I278 PolarHBondContact O-N 3.41Å; I273-V304 HydrophobicContact CD1-CB 4.3Å; I273-V304 HydrophobicContact CD1-CG1 4.06Å; I273-V304 HydrophobicContact CG1-CB 4.21Å; I273-V304 HydrophobicContact CG1-CG1 3.68Å; I273-T306 HydrophobicContact CD1-CG2 3.73Å; I273-T306 HydrophobicContact CG1-CG2 4.39Å; I273-I313 HydrophobicContact CD1-CD1 3.42Å; I273-I313 VanDerWaalsContact CD1-CD1 3.42Å; I273-I313 HydrophobicContact CD1-CG1 4.28Å; I273-R316 HydrophobicContact CG2-CG 4.13Å; I273-I317 HydrophobicContact CD1-CG2 3.81Å; I273-I317 HydrophobicContact CG1-CG2 4.23Å; I273-I317 HydrophobicContact CG2-CG2 4.48Å
274	D	93.5	Very high	92.5	Very high	50 Å²	50	33.9 Å²	33.9	27%	0.267	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-68	132.9	-173.3	-58.7	-72.5	0	0	0	109.5	T276 R308 R316	D274-T276 PolarHBondContact O-N 3.38Å; D274-R308 IonicContact OD1-CZ 3.91Å; D274-R308 IonicContact OD1-NE 2.99Å; D274-R308 IonicContact OD1-NH2 2.74Å; D274-R308 PolarHBondContact OD1-NH2 3.06Å; D274-R308 IonicContact OD2-CZ 3.77Å; D274-R308 IonicContact OD2-NE 3.42Å; D274-R308 PolarHBondContact OD2-NE 3.45Å; D274-R308 IonicContact OD2-NH2 2.77Å; D274-R308 PolarHBondContact OD2-NH2 3.05Å; D274-R316 IonicContact OD1-CZ 2.63Å; D274-R316 IonicContact OD1-NE 3.98Å; D274-R316 IonicContact OD1-NH2 3.37Å; D274-R316 PolarHBondContact OD1-NH2 2.81Å
275	G	95.5	Very high	94.5	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-4.3	-177.1	0	0	0	0	0	114.8	I273 N493 N509	I273-G275 PolarHBondContact O-N 3.15Å; G275-N493 PolarHBondContact O-ND2 3.14Å; G275-N493 PolarHBondContact O-OD1 3.12Å; G275-N509 WeakPolarHBondContact O-CB 3.41Å
276	T	98.2	Very high	95.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-75.8	-176.1	-66.3	0	0	0	0	112.8	F271 D272 I273 D274 F472 G473 D474 M491 N509 I514	F271-T276 HydrophobicContact CB-CG2 4.33Å; D272-T276 HydrophobicContact CB-CG2 4.37Å; D272-T276 VanDerWaalsContact O-CB 3.3Å; D272-T276 WeakPolarHBondContact O-CB 3.38Å; D272-T276 WeakPolarHBondContact O-CG2 3.41Å; I273-T276 PolarHBondContact O-N 2.65Å; I273-T276 VanDerWaalsContact O-N 3.17Å; D274-T276 PolarHBondContact O-N 3.38Å; T276-F472 HydrophobicContact CG2-CB 3.62Å; T276-G473 WeakPolarHBondContact OG1-CA 3.48Å; T276-D474 PolarHBondContact OG1-OD1 3.3Å; T276-M491 HydrophobicContact CG2-CG 4.02Å; T276-M491 HydrophobicContact CG2-SD 4.09Å; T276-M491 WeakPolarHBondContact OG1-CG 3.49Å; T276-N509 VanDerWaalsContact O-CB 3.31Å; T276-N509 WeakPolarHBondContact O-CB 3.2Å; T276-I514 HydrophobicContact CG2-CD1 4.36Å
277	L	97.3	Very high	96	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-32.9	179.8	-83.5	172.4	0	0	0	113.8	F271 D272 I273 T288 I292 V304 L320 I514	F271-L277 HydrophobicContact CB-CD1 3.74Å; F271-L277 HydrophobicContact CB-CD2 3.82Å; F271-L277 HydrophobicContact CB-CG 3.5Å; F271-L277 VanDerWaalsContact CB-CG 3.5Å; F271-L277 HydrophobicContact CD1-CD2 4.22Å; F271-L277 HydrophobicContact CD2-CD2 4.13Å; F271-L277 HydrophobicContact CG-CD1 4.43Å; F271-L277 HydrophobicContact CG-CD2 3.8Å; F271-L277 HydrophobicContact CG-CG 4.09Å; D272-L277 VanDerWaalsContact O-CG 3.32Å; D272-L277 WeakPolarHBondContact O-CG 3.33Å; D272-L277 PolarHBondContact O-N 2.95Å; I273-L277 HydrophobicContact CG1-CD1 4.31Å; I273-L277 PolarHBondContact O-N 3.4Å; L277-T288 HydrophobicContact CD2-CG2 3.67Å; L277-I292 HydrophobicContact CD2-CD1 4.14Å; L277-V304 HydrophobicContact CD1-CG1 3.26Å; L277-L320 HydrophobicContact CD1-CD1 4.38Å; L277-L320 HydrophobicContact CD2-CD1 4.09Å; L277-I514 HydrophobicContact CD2-CD1 3.76Å; L277-I514 HydrophobicContact CG-CD1 4.41Å
278	I	96.1	Very high	96.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-112.7	142.9	-173.9	60.3	171.4	0	0	0	111.1	I273 K283 V284 N509	I273-I278 HydrophobicContact CG2-CD1 3.79Å; I273-I278 HydrophobicContact CG2-CG1 4.01Å; I273-I278 HydrophobicContact CG2-CG2 4.38Å; I273-I278 WeakPolarHBondContact O-CG1 3.37Å; I273-I278 PolarHBondContact O-N 3.41Å; I278-K283 CarbonylContact C-O 3.58Å; I278-K283 VanDerWaalsContact CA-O 3.25Å; I278-K283 WeakPolarHBondContact CA-O 3.48Å; I278-V284 HydrophobicContact CG2-CG2 3.86Å; I278-N509 PolarHBondContact O-ND2 3.12Å
279	T	95.5	Very high	96.3	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.055	20%	0.198	C	C	.	.			trans	-69	170.2	171.6	63.9	0	0	0	0	111.6	D281 S282 K283 L285 E510	T279-D281 PolarHBondContact O-N 3.41Å; T279-D281 PolarHBondContact OG1-N 3.12Å; T279-S282 WeakPolarHBondContact O-CA 3.11Å; T279-S282 PolarHBondContact O-N 3.35Å; T279-K283 PolarHBondContact N-O 2.9Å; T279-K283 PolarHBondContact OG1-N 3.38Å; T279-K283 VanDerWaalsContact OG1-N 3.16Å; T279-K283 PolarHBondContact OG1-O 2.89Å; T279-L285 HydrophobicContact CG2-CD2 3.71Å; T279-L285 HydrophobicContact CG2-CG 3.95Å; T279-E510 WeakPolarHBondContact CA-OE1 3.02Å; T279-E510 WeakPolarHBondContact CB-OE1 3.4Å; T279-E510 VanDerWaalsContact CB-OE2 3.25Å; T279-E510 WeakPolarHBondContact CB-OE2 3.09Å; T279-E510 VanDerWaalsContact CG2-OE2 3.28Å; T279-E510 WeakPolarHBondContact CG2-OE2 3.27Å
280	S	91	Very high	96.2	Very high	96 Å²	96	39 Å²	39	67%	0.671	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.6	171.7	59.7	0	0	0	0	112.5	S282 E510	S280-S282 PolarHBondContact O-N 3.46Å; S280-E510 PolarHBondContact N-OE1 3.15Å; S280-E510 PolarHBondContact OG-OE1 3.39Å
281	D	91.4	Very high	96.2	Very high	130 Å²	130	39 Å²	39	70%	0.695	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	9	175.9	-66.7	-21.6	0	0	0	113.2	T279 K283	T279-D281 PolarHBondContact O-N 3.41Å; T279-D281 PolarHBondContact OG1-N 3.12Å; D281-K283 VanDerWaalsContact C-N 3.29Å; D281-K283 HydrophobicContact CB-CG 4.44Å; D281-K283 PolarHBondContact O-N 3.01Å
282	S	91	Very high	96.2	Very high	46 Å²	46	39 Å²	39	32%	0.322	21%	0.213	S	C	.	.	S	Bend	trans	60	36.3	-178.8	-54.9	0	0	0	0	113.4	T279 S280 R316	T279-S282 WeakPolarHBondContact O-CA 3.11Å; T279-S282 PolarHBondContact O-N 3.35Å; S280-S282 PolarHBondContact O-N 3.46Å; S282-R316 VanDerWaalsContact CB-NH1 3.35Å; S282-R316 PolarHBondContact OG-NH1 3.1Å
283	K	95.2	Very high	96.1	Very high	112 Å²	112	43.8 Å²	43.8	49%	0.487	23%	0.23	S	C	.	.			trans	-111	148.2	176.7	-65.1	-61.7	-176.2	173.9	0	111.3	I278 T279 D281 E318	I278-K283 CarbonylContact C-O 3.58Å; I278-K283 VanDerWaalsContact CA-O 3.25Å; I278-K283 WeakPolarHBondContact CA-O 3.48Å; T279-K283 PolarHBondContact N-O 2.9Å; T279-K283 PolarHBondContact OG1-N 3.38Å; T279-K283 VanDerWaalsContact OG1-N 3.16Å; T279-K283 PolarHBondContact OG1-O 2.89Å; D281-K283 VanDerWaalsContact C-N 3.29Å; D281-K283 HydrophobicContact CB-CG 4.44Å; D281-K283 PolarHBondContact O-N 3.01Å; K283-E318 WeakPolarHBondContact CD-OE1 3.44Å; K283-E318 WeakPolarHBondContact CE-OE1 3.39Å; K283-E318 IonicContact NZ-OE1 3.28Å; K283-E318 PolarHBondContact NZ-OE1 2.89Å
284	V	97.1	Very high	96.1	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-93.8	126.5	168.6	178.4	0	0	0	0	107.9	I278 T288 R289 E318 L320	I278-V284 HydrophobicContact CG2-CG2 3.86Å; V284-T288 HydrophobicContact CG1-CG2 3.95Å; V284-R289 HydrophobicContact CG1-CG 3.84Å; V284-E318 HydrophobicContact CG2-CB 4.37Å; V284-E318 PolarHBondContact N-OE2 3.08Å; V284-L320 HydrophobicContact CB-CD1 4.35Å; V284-L320 HydrophobicContact CG1-CD1 3.69Å; V284-L320 HydrophobicContact CG1-CD2 4.03Å; V284-L320 HydrophobicContact CG1-CG 3.99Å; V284-L320 HydrophobicContact CG2-CD1 3.75Å; V284-L320 HydrophobicContact CG2-CG 4.17Å
285	L	97.6	Very high	96.1	Very high	38 Å²	38	43 Å²	43	20%	0.199	23%	0.226	C	C	.	.			trans	-63.8	144.5	176.7	-62.8	-179.1	0	0	0	111.6	T279 S287 T288 R289 N509	T279-L285 HydrophobicContact CG2-CD2 3.71Å; T279-L285 HydrophobicContact CG2-CG 3.95Å; L285-S287 PolarHBondContact O-N 2.97Å; L285-T288 WeakPolarHBondContact O-CA 3.43Å; L285-T288 VanDerWaalsContact O-CB 3.32Å; L285-T288 WeakPolarHBondContact O-CB 3.37Å; L285-T288 PolarHBondContact O-N 2.83Å; L285-R289 PolarHBondContact O-N 3.07Å; L285-R289 VanDerWaalsContact O-N 3.11Å; L285-N509 VanDerWaalsContact CD1-O 3.23Å; L285-N509 WeakPolarHBondContact CD1-O 3.48Å
286	D	97.8	Very high	96.1	Very high	133 Å²	133	44.4 Å²	44.4	71%	0.711	23%	0.228	S	C	*	.	H	α-helix	trans	-59.5	-36	176.4	-71.5	-28.3	0	0	0	112.1	T288 R289 E290	D286-T288 VanDerWaalsContact C-N 3.28Å; D286-T288 PolarHBondContact O-N 2.8Å; D286-R289 WeakPolarHBondContact O-CB 3.43Å; D286-R289 PolarHBondContact O-N 3.21Å; D286-E290 WeakPolarHBondContact O-CB 3.42Å; D286-E290 PolarHBondContact O-N 2.82Å
287	S	97.9	Very high	95.8	Very high	19 Å²	19	52.3 Å²	52.3	13%	0.133	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-37.6	173	61.5	0	0	0	0	112.5	L285 E290 A291 D512 Y515	L285-S287 PolarHBondContact O-N 2.97Å; S287-E290 PolarHBondContact O-N 3.28Å; S287-A291 WeakPolarHBondContact O-CB 3.41Å; S287-A291 PolarHBondContact O-N 3.26Å; S287-D512 WeakPolarHBondContact CB-OD1 3.3Å; S287-D512 PolarHBondContact OG-OD1 3.42Å; S287-Y515 WeakPolarHBondContact O-CD2 3.32Å
288	T	97.8	Very high	95.3	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-42.8	177.2	-63.2	0	0	0	0	110.7	L277 V284 L285 D286 E290 A291 I292 I514	L277-T288 HydrophobicContact CD2-CG2 3.67Å; V284-T288 HydrophobicContact CG1-CG2 3.95Å; L285-T288 WeakPolarHBondContact O-CA 3.43Å; L285-T288 VanDerWaalsContact O-CB 3.32Å; L285-T288 WeakPolarHBondContact O-CB 3.37Å; L285-T288 PolarHBondContact O-N 2.83Å; D286-T288 VanDerWaalsContact C-N 3.28Å; D286-T288 PolarHBondContact O-N 2.8Å; T288-E290 VanDerWaalsContact C-N 3.32Å; T288-E290 PolarHBondContact O-N 3.02Å; T288-A291 PolarHBondContact O-N 3.44Å; T288-I292 HydrophobicContact CG2-CD1 4.04Å; T288-I292 WeakPolarHBondContact O-CG1 3.41Å; T288-I292 PolarHBondContact O-N 3.45Å; T288-I292 VanDerWaalsContact O-N 3.08Å; T288-I514 HydrophobicContact CG2-CB 4.47Å; T288-I514 HydrophobicContact CG2-CD1 3.75Å; T288-I514 HydrophobicContact CG2-CG2 4.36Å
289	R	98	Very high	95.1	Very high	73 Å²	73	60.4 Å²	60.4	28%	0.275	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-45.5	174	-63.3	-178.5	-179.7	-86.8	2.7	111.3	V284 L285 D286 R293 E318 L320	V284-R289 HydrophobicContact CG1-CG 3.84Å; L285-R289 PolarHBondContact O-N 3.07Å; L285-R289 VanDerWaalsContact O-N 3.11Å; D286-R289 WeakPolarHBondContact O-CB 3.43Å; D286-R289 PolarHBondContact O-N 3.21Å; R289-R293 WeakPolarHBondContact O-CB 3.15Å; R289-R293 PolarHBondContact O-N 3.02Å; R289-E318 IonicContact CZ-OE2 2.99Å; R289-E318 PolarHBondContact NH1-O 2.89Å; R289-E318 PolarHBondContact NH2-O 2.91Å; R289-E318 VanDerWaalsContact NH2-O 3.13Å; R289-E318 IonicContact NH2-OE2 2.71Å; R289-E318 PolarHBondContact NH2-OE2 2.91Å; R289-L320 HydrophobicContact CB-CD2 4.33Å; R289-L320 HydrophobicContact CG-CD2 3.73Å
290	E	97.8	Very high	95	Very high	70 Å²	70	60.6 Å²	60.6	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-66.5	-42.7	179.8	178.9	59.4	-174.8	0	0	112.1	D286 S287 T288 I292 R293 L294 Y515	D286-E290 WeakPolarHBondContact O-CB 3.42Å; D286-E290 PolarHBondContact O-N 2.82Å; S287-E290 PolarHBondContact O-N 3.28Å; T288-E290 VanDerWaalsContact C-N 3.32Å; T288-E290 PolarHBondContact O-N 3.02Å; E290-I292 PolarHBondContact O-N 3.31Å; E290-R293 VanDerWaalsContact CD-NH2 3.34Å; E290-R293 PolarHBondContact O-N 2.96Å; E290-R293 IonicContact OE1-CZ 2.76Å; E290-R293 IonicContact OE1-NE 3.4Å; E290-R293 IonicContact OE1-NH2 2.71Å; E290-R293 PolarHBondContact OE1-NH2 3.07Å; E290-R293 IonicContact OE2-CZ 3.17Å; E290-R293 IonicContact OE2-NE 3.96Å; E290-R293 PolarHBondContact OE2-NE 3.41Å; E290-R293 IonicContact OE2-NH2 3.86Å; E290-R293 PolarHBondContact OE2-NH2 2.96Å; E290-L294 HydrophobicContact CG-CD1 3.99Å; E290-L294 HydrophobicContact CG-CG 4.39Å; E290-L294 WeakPolarHBondContact O-CB 3.31Å; E290-L294 WeakPolarHBondContact O-CG 3.48Å; E290-L294 PolarHBondContact O-N 2.92Å; E290-Y515 HydrophobicContact CG-CE2 4.49Å
291	A	97.4	Very high	95.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-47.5	176.3	0	0	0	0	0	111.9	S287 T288 R293 L294 A295 I514 Y515 M518 I524	S287-A291 WeakPolarHBondContact O-CB 3.41Å; S287-A291 PolarHBondContact O-N 3.26Å; T288-A291 PolarHBondContact O-N 3.44Å; A291-R293 VanDerWaalsContact C-N 3.35Å; A291-R293 PolarHBondContact O-N 3.48Å; A291-L294 PolarHBondContact O-N 3.31Å; A291-A295 PolarHBondContact O-N 3.22Å; A291-I514 HydrophobicContact CB-CG2 4.32Å; A291-Y515 HydrophobicContact CB-CD2 4.02Å; A291-M518 HydrophobicContact CB-CE 4.05Å; A291-M518 HydrophobicContact CB-SD 3.72Å; A291-M518 VanDerWaalsContact O-CE 3.26Å; A291-M518 WeakPolarHBondContact O-CE 3.38Å; A291-I524 HydrophobicContact CB-CD1 3.73Å; A291-I524 WeakPolarHBondContact O-CG2 3.4Å
292	I	98.1	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-46.6	176.4	-71.6	164.4	0	0	0	110.5	F271 L277 T288 E290 L294 A295 Q296 C302 L320 L322	F271-I292 HydrophobicContact CE2-CD1 4.23Å; F271-I292 HydrophobicContact CE2-CG1 3.96Å; F271-I292 HydrophobicContact CZ-CG1 4.01Å; L277-I292 HydrophobicContact CD2-CD1 4.14Å; T288-I292 HydrophobicContact CG2-CD1 4.04Å; T288-I292 WeakPolarHBondContact O-CG1 3.41Å; T288-I292 PolarHBondContact O-N 3.45Å; T288-I292 VanDerWaalsContact O-N 3.08Å; E290-I292 PolarHBondContact O-N 3.31Å; I292-L294 VanDerWaalsContact C-N 3.35Å; I292-L294 PolarHBondContact O-N 3.46Å; I292-A295 PolarHBondContact O-N 3.46Å; I292-Q296 HydrophobicContact CG2-CG 4.41Å; I292-Q296 WeakPolarHBondContact O-CB 3.47Å; I292-Q296 WeakPolarHBondContact O-CG 3.42Å; I292-Q296 PolarHBondContact O-N 2.94Å; I292-C302 HydrophobicContact CG2-CB 3.85Å; I292-L320 HydrophobicContact CD1-CD1 4.07Å; I292-L320 HydrophobicContact CD1-CD2 3.82Å; I292-L322 HydrophobicContact CD1-CD2 4.01Å; I292-L322 HydrophobicContact CG2-CD2 4.16Å
293	R	97.9	Very high	96	Very high	110 Å²	110	51.7 Å²	51.7	42%	0.415	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-42.3	179.1	-168.2	-164.5	66.9	70	1	112.3	R289 E290 A291 K297	R289-R293 WeakPolarHBondContact O-CB 3.15Å; R289-R293 PolarHBondContact O-N 3.02Å; E290-R293 VanDerWaalsContact CD-NH2 3.34Å; E290-R293 PolarHBondContact O-N 2.96Å; E290-R293 IonicContact OE1-CZ 2.76Å; E290-R293 IonicContact OE1-NE 3.4Å; E290-R293 IonicContact OE1-NH2 2.71Å; E290-R293 PolarHBondContact OE1-NH2 3.07Å; E290-R293 IonicContact OE2-CZ 3.17Å; E290-R293 IonicContact OE2-NE 3.96Å; E290-R293 PolarHBondContact OE2-NE 3.41Å; E290-R293 IonicContact OE2-NH2 3.86Å; E290-R293 PolarHBondContact OE2-NH2 2.96Å; A291-R293 VanDerWaalsContact C-N 3.35Å; A291-R293 PolarHBondContact O-N 3.48Å; R293-K297 WeakPolarHBondContact O-CB 3.29Å; R293-K297 PolarHBondContact O-N 3.45Å
294	L	95.2	Very high	96.2	Very high	34 Å²	34	46.4 Å²	46.4	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-38.3	178.7	-72.6	171.9	0	0	0	112.3	E290 A291 I292 Q298 I524	E290-L294 HydrophobicContact CG-CD1 3.99Å; E290-L294 HydrophobicContact CG-CG 4.39Å; E290-L294 WeakPolarHBondContact O-CB 3.31Å; E290-L294 WeakPolarHBondContact O-CG 3.48Å; E290-L294 PolarHBondContact O-N 2.92Å; A291-L294 PolarHBondContact O-N 3.31Å; I292-L294 VanDerWaalsContact C-N 3.35Å; I292-L294 PolarHBondContact O-N 3.46Å; L294-Q298 PolarHBondContact O-NE2 3.15Å; L294-Q298 VanDerWaalsContact O-NE2 3.16Å; L294-I524 HydrophobicContact CB-CB 3.82Å; L294-I524 HydrophobicContact CB-CG2 3.47Å; L294-I524 VanDerWaalsContact CB-CG2 3.47Å; L294-I524 HydrophobicContact CD1-CB 3.95Å; L294-I524 HydrophobicContact CD1-CD1 4.41Å; L294-I524 HydrophobicContact CD1-CG2 4.43Å
295	A	94.1	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-47.2	174	0	0	0	0	0	111.8	I269 A291 I292 K297 Q298 I300 M518 I523 I524	I269-A295 HydrophobicContact CD1-CB 3.96Å; A291-A295 PolarHBondContact O-N 3.22Å; I292-A295 PolarHBondContact O-N 3.46Å; A295-K297 VanDerWaalsContact C-N 3.26Å; A295-K297 PolarHBondContact O-N 3.41Å; A295-Q298 WeakPolarHBondContact O-CA 3.2Å; A295-Q298 WeakPolarHBondContact O-CB 3.21Å; A295-Q298 PolarHBondContact O-N 3.09Å; A295-I300 HydrophobicContact CB-CB 4.21Å; A295-I300 HydrophobicContact CB-CD1 4.24Å; A295-I300 WeakPolarHBondContact O-CB 3.42Å; A295-I300 WeakPolarHBondContact O-CG1 3.28Å; A295-I300 PolarHBondContact O-N 3.5Å; A295-M518 HydrophobicContact CB-CE 3.5Å; A295-I523 HydrophobicContact CB-CG2 4.16Å; A295-I524 HydrophobicContact CB-CG2 4.37Å
296	Q	95.6	Very high	96.2	Very high	46 Å²	46	44.4 Å²	44.4	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-34.7	177.3	-73.8	178.2	-39.5	0	0	112.7	I292 Q298 G299 I300 C302 P321 D323	I292-Q296 HydrophobicContact CG2-CG 4.41Å; I292-Q296 WeakPolarHBondContact O-CB 3.47Å; I292-Q296 WeakPolarHBondContact O-CG 3.42Å; I292-Q296 PolarHBondContact O-N 2.94Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q296-Q298 VanDerWaalsContact O-N 3.16Å; Q296-G299 PolarHBondContact O-N 2.89Å; Q296-I300 WeakPolarHBondContact CA-O 3.37Å; Q296-C302 HydrophobicContact CG-CB 4.1Å; Q296-P321 PolarHBondContact NE2-O 3.37Å; Q296-D323 PolarHBondContact NE2-OD1 2.88Å; Q296-D323 PolarHBondContact NE2-OD2 3.15Å
297	K	93.1	Very high	95.9	Very high	167 Å²	167	39.6 Å²	39.6	73%	0.726	20%	0.201	S	C	*	.	H	α-helix	trans	-60.5	-23.6	174.3	-171.4	178.3	176	-173.4	0	112.9	R293 A295 G299	R293-K297 WeakPolarHBondContact O-CB 3.29Å; R293-K297 PolarHBondContact O-N 3.45Å; A295-K297 VanDerWaalsContact C-N 3.26Å; A295-K297 PolarHBondContact O-N 3.41Å; K297-G299 VanDerWaalsContact C-N 3.34Å
298	Q	86.3	Confident	95.7	Very high	116 Å²	116	43.3 Å²	43.3	54%	0.542	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6	175.5	-66.8	171.9	76.6	0	0	113	L294 A295 Q296 I300 I523	L294-Q298 PolarHBondContact O-NE2 3.15Å; L294-Q298 VanDerWaalsContact O-NE2 3.16Å; A295-Q298 WeakPolarHBondContact O-CA 3.2Å; A295-Q298 WeakPolarHBondContact O-CB 3.21Å; A295-Q298 PolarHBondContact O-N 3.09Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q296-Q298 VanDerWaalsContact O-N 3.16Å; Q298-I300 HydrophobicContact CB-CD1 4.39Å; Q298-I300 HydrophobicContact CB-CG1 4.27Å; Q298-I523 PolarHBondContact NE2-O 2.96Å
299	G	91.1	Very high	95.4	Very high	58 Å²	58	43.9 Å²	43.9	60%	0.598	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	15	-178.8	0	0	0	0	0	114.1	Q296 K297	Q296-G299 PolarHBondContact O-N 2.89Å; K297-G299 VanDerWaalsContact C-N 3.34Å
300	I	94.5	Very high	95.3	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.067	21%	0.209	C	C	.	.			trans	-85.4	123.2	179.5	-53.7	179.7	0	0	0	109.5	I266 K267 I269 A295 Q296 Q298 C302 I523	I266-I300 HydrophobicContact CG2-CG2 4.28Å; I266-I300 WeakPolarHBondContact O-CD1 3.49Å; I266-I300 WeakPolarHBondContact O-CG1 3.36Å; K267-I300 WeakPolarHBondContact O-CA 3.27Å; I269-I300 HydrophobicContact CD1-CG2 3.94Å; I269-I300 HydrophobicContact CG1-CG2 3.68Å; A295-I300 HydrophobicContact CB-CB 4.21Å; A295-I300 HydrophobicContact CB-CD1 4.24Å; A295-I300 WeakPolarHBondContact O-CB 3.42Å; A295-I300 WeakPolarHBondContact O-CG1 3.28Å; A295-I300 PolarHBondContact O-N 3.5Å; Q296-I300 WeakPolarHBondContact CA-O 3.37Å; Q298-I300 HydrophobicContact CB-CD1 4.39Å; Q298-I300 HydrophobicContact CB-CG1 4.27Å; I300-C302 PolarHBondContact O-N 3.05Å; I300-I523 HydrophobicContact CD1-CG2 3.85Å
301	F	97.9	Very high	95	Very high	86 Å²	86	39.4 Å²	39.4	38%	0.377	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126.7	174	-70.1	-76.8	0	0	0	110.5	K267 A268 I269 D323 V324 F458 I464	K267-F301 PolarHBondContact O-N 3.33Å; A268-F301 CarbonylContact C-O 3.56Å; A268-F301 WeakPolarHBondContact CA-O 3.5Å; A268-F301 HydrophobicContact CB-CB 4.16Å; I269-F301 PolarHBondContact N-O 3.17Å; F301-D323 HydrophobicContact CD1-CB 3.86Å; F301-V324 HydrophobicContact CB-CG2 4.4Å; F301-F458 HydrophobicContact CB-CE1 4.29Å; F301-F458 HydrophobicContact CB-CZ 4.04Å; F301-F458 HydrophobicContact CD1-CZ 4.11Å; F301-F458 HydrophobicContact CD2-CE1 4.48Å; F301-F458 AromaticContact CD2-CZ 3.99Å; F301-F458 HydrophobicContact CD2-CZ 3.99Å; F301-F458 HydrophobicContact CE2-CZ 4.48Å; F301-F458 HydrophobicContact CG-CE1 4.4Å; F301-F458 AromaticContact CG-CZ 3.78Å; F301-F458 HydrophobicContact CG-CZ 3.78Å; F301-I464 HydrophobicContact CD2-CD1 3.86Å; F301-I464 HydrophobicContact CE2-CD1 4.27Å
302	C	98.4	Very high	94.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.8	175.4	-69.1	0	0	0	0	109.8	I269 F271 I292 Q296 I300 L322 D323	I269-C302 CarbonylContact O-C 3.6Å; I269-C302 WeakPolarHBondContact O-CA 3.05Å; F271-C302 HydrophobicContact CE2-CB 4.31Å; I292-C302 HydrophobicContact CG2-CB 3.85Å; Q296-C302 HydrophobicContact CG-CB 4.1Å; I300-C302 PolarHBondContact O-N 3.05Å; C302-L322 HydrophobicContact CB-CD2 4.02Å; C302-L322 CarbonylContact O-C 3.55Å; C302-L322 WeakPolarHBondContact O-CA 3.07Å; C302-D323 PolarHBondContact N-OD2 2.81Å; C302-D323 PolarHBondContact O-N 2.81Å
303	G	98.5	Very high	94.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	171.9	-175.6	0	0	0	0	0	114.1	I269 F270 F271 V324	I269-G303 PolarHBondContact O-N 3.14Å; F270-G303 CarbonylContact C-O 3.58Å; F270-G303 VanDerWaalsContact CA-O 3.31Å; F270-G303 WeakPolarHBondContact CA-O 3.37Å; F271-G303 VanDerWaalsContact CD2-O 3.28Å; F271-G303 WeakPolarHBondContact CD2-O 3.46Å; F271-G303 PolarHBondContact N-O 3.4Å; G303-V324 CarbonylContact C-O 3.54Å; G303-V324 WeakPolarHBondContact CA-O 3.31Å
304	V	98.5	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.5	173.5	-85.9	0	0	0	0	111.5	F271 I273 L277 L322 V324 F325 V326 M327	F271-V304 CarbonylContact O-C 3.54Å; F271-V304 VanDerWaalsContact O-CA 3.26Å; F271-V304 WeakPolarHBondContact O-CA 3.38Å; I273-V304 HydrophobicContact CD1-CB 4.3Å; I273-V304 HydrophobicContact CD1-CG1 4.06Å; I273-V304 HydrophobicContact CG1-CB 4.21Å; I273-V304 HydrophobicContact CG1-CG1 3.68Å; L277-V304 HydrophobicContact CD1-CG1 3.26Å; V304-L322 HydrophobicContact CB-CD1 4.14Å; V304-L322 HydrophobicContact CG1-CD1 3.43Å; V304-L322 VanDerWaalsContact CG1-CD1 3.43Å; V304-L322 HydrophobicContact CG2-CD1 3.92Å; V304-V324 PolarHBondContact N-O 2.95Å; V304-F325 HydrophobicContact CG2-CD1 3.58Å; V304-F325 HydrophobicContact CG2-CE1 4.14Å; V304-F325 HydrophobicContact CG2-CG 4.31Å; V304-V326 WeakPolarHBondContact O-CA 3.23Å; V304-V326 WeakPolarHBondContact O-CB 3.18Å; V304-V326 PolarHBondContact O-N 3.44Å; V304-M327 HydrophobicContact CB-CE 4.32Å; V304-M327 HydrophobicContact CG2-CE 3.54Å
305	A	98.4	Very high	94.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.8	168.2	0	0	0	0	0	110.2	F270 F271 V326 K451 I455 M481	F270-A305 HydrophobicContact CB-CB 4.34Å; F271-A305 PolarHBondContact O-N 2.88Å; A305-V326 WeakPolarHBondContact CA-O 3.23Å; A305-V326 HydrophobicContact CB-CB 4.04Å; A305-V326 HydrophobicContact CB-CG1 4.21Å; A305-K451 HydrophobicContact CB-CB 4.07Å; A305-K451 HydrophobicContact CB-CD 4.29Å; A305-K451 HydrophobicContact CB-CG 4.28Å; A305-K451 WeakPolarHBondContact O-CD 3.2Å; A305-K451 WeakPolarHBondContact O-CE 3.33Å; A305-K451 PolarHBondContact O-NZ 3.26Å; A305-I455 HydrophobicContact CB-CD1 4.08Å; A305-I455 HydrophobicContact CB-CG1 4.34Å; A305-M481 HydrophobicContact CB-SD 4.18Å
306	T	96.2	Very high	94.3	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	26%	0.259	C	S	.	.			trans	-144.9	155	-169.9	-175.6	0	0	0	0	112.6	I273 R308 V326 M327 Y328 N329	I273-T306 HydrophobicContact CD1-CG2 3.73Å; I273-T306 HydrophobicContact CG1-CG2 4.39Å; T306-R308 HydrophobicContact CG2-CB 3.87Å; T306-R308 PolarHBondContact O-N 2.93Å; T306-R308 PolarHBondContact OG1-N 3.14Å; T306-V326 PolarHBondContact N-O 3.43Å; T306-M327 HydrophobicContact CG2-CE 3.47Å; T306-M327 VanDerWaalsContact CG2-CE 3.47Å; T306-M327 HydrophobicContact CG2-SD 3.97Å; T306-M327 CarbonylContact O-C 3.48Å; T306-Y328 PolarHBondContact O-N 2.95Å; T306-Y328 VanDerWaalsContact O-N 3.17Å; T306-N329 PolarHBondContact O-N 3.32Å
307	G	92.4	Very high	94.3	Very high	32 Å²	32	50.1 Å²	50.1	33%	0.33	25%	0.248	S	C	.	.	S	Bend	trans	-70.8	-13.6	167.9	0	0	0	0	0	113.4	N329	G307-N329 VanDerWaalsContact CA-OD1 3.27Å; G307-N329 WeakPolarHBondContact CA-OD1 3.38Å; G307-N329 PolarHBondContact N-OD1 3.5Å
308	R	92.1	Very high	94.4	Very high	98 Å²	98	44.4 Å²	44.4	37%	0.37	23%	0.225	S	C	.	.	S	Bend	trans	-72.3	156.8	-178.9	-64.7	-179.7	175.3	-79.1	-2.8	112.6	D274 T306 I313 Y328	D274-R308 IonicContact OD1-CZ 3.91Å; D274-R308 IonicContact OD1-NE 2.99Å; D274-R308 IonicContact OD1-NH2 2.74Å; D274-R308 PolarHBondContact OD1-NH2 3.06Å; D274-R308 IonicContact OD2-CZ 3.77Å; D274-R308 IonicContact OD2-NE 3.42Å; D274-R308 PolarHBondContact OD2-NE 3.45Å; D274-R308 IonicContact OD2-NH2 2.77Å; D274-R308 PolarHBondContact OD2-NH2 3.05Å; T306-R308 HydrophobicContact CG2-CB 3.87Å; T306-R308 PolarHBondContact O-N 2.93Å; T306-R308 PolarHBondContact OG1-N 3.14Å; R308-I313 HydrophobicContact CB-CD1 4.38Å; R308-Y328 PolarHBondContact O-N 3.09Å
309	G	93	Very high	94.8	Very high	16 Å²	16	44.7 Å²	44.7	17%	0.165	23%	0.226	C	C	.	.			trans	-82.9	163.7	170	0	0	0	0	0	113.6	V311 Y328	G309-V311 VanDerWaalsContact C-N 3.27Å; G309-V311 PolarHBondContact O-N 2.95Å; G309-Y328 WeakPolarHBondContact CA-OH 3.43Å
310	P	94.8	Very high	95	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.058	20%	0.197	C	C	.	.	S	Bend	trans	-73.6	-15.3	-178	29.5	-35.5	0	0	0	114	R312 I313 M327 Y328 L332 Y334 G368 R369	P310-R312 PolarHBondContact O-N 3.13Å; P310-I313 WeakPolarHBondContact O-CB 3.4Å; P310-I313 WeakPolarHBondContact O-CG2 3.34Å; P310-I313 PolarHBondContact O-N 3.34Å; P310-I313 VanDerWaalsContact O-N 3.14Å; P310-M327 HydrophobicContact CB-CG 4.2Å; P310-M327 HydrophobicContact CB-SD 4.49Å; P310-Y328 HydrophobicContact CG-CE2 4.4Å; P310-L332 HydrophobicContact CG-CD2 3.81Å; P310-Y334 HydrophobicContact CB-CE1 3.91Å; P310-Y334 WeakPolarHBondContact CB-OH 3.13Å; P310-G368 WeakPolarHBondContact CG-O 3.4Å; P310-R369 WeakPolarHBondContact CG-O 3.19Å
311	V	92	Very high	94.9	Very high	40 Å²	40	44.8 Å²	44.8	24%	0.242	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	118.8	-177.8	178.4	0	0	0	0	109.9	G309 I313 M372	G309-V311 VanDerWaalsContact C-N 3.27Å; G309-V311 PolarHBondContact O-N 2.95Å; V311-I313 PolarHBondContact O-N 3.31Å; V311-M372 HydrophobicContact CB-CE 3.91Å; V311-M372 HydrophobicContact CB-CG 4.16Å; V311-M372 HydrophobicContact CG1-CE 3.65Å; V311-M372 HydrophobicContact CG1-CG 4.45Å; V311-M372 HydrophobicContact CG2-CG 3.99Å
312	R	90.8	Very high	94.9	Very high	165 Å²	165	40.7 Å²	40.7	62%	0.623	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	20	-172.7	-57.1	-176.2	-66.8	170.1	0.4	114.5	P310 E314 E315 R316	P310-R312 PolarHBondContact O-N 3.13Å; R312-E314 VanDerWaalsContact C-N 3.28Å; R312-E314 PolarHBondContact O-N 2.95Å; R312-E315 PolarHBondContact O-N 2.61Å; R312-R316 PolarHBondContact O-N 3.5Å
313	I	94.4	Very high	94.9	Very high	5 Å²	5	43 Å²	43	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-40.9	177.2	-162.4	62.3	0	0	0	111.3	I273 R308 P310 V311 E315 R316 I317 F325 M327	I273-I313 HydrophobicContact CD1-CD1 3.42Å; I273-I313 VanDerWaalsContact CD1-CD1 3.42Å; I273-I313 HydrophobicContact CD1-CG1 4.28Å; R308-I313 HydrophobicContact CB-CD1 4.38Å; P310-I313 WeakPolarHBondContact O-CB 3.4Å; P310-I313 WeakPolarHBondContact O-CG2 3.34Å; P310-I313 PolarHBondContact O-N 3.34Å; P310-I313 VanDerWaalsContact O-N 3.14Å; V311-I313 PolarHBondContact O-N 3.31Å; I313-E315 VanDerWaalsContact C-N 3.3Å; I313-E315 PolarHBondContact O-N 3.31Å; I313-R316 WeakPolarHBondContact O-CB 3.37Å; I313-R316 PolarHBondContact O-N 2.79Å; I313-I317 WeakPolarHBondContact O-CG1 3.39Å; I313-I317 PolarHBondContact O-N 2.91Å; I313-F325 HydrophobicContact CG2-CD1 4.32Å; I313-F325 HydrophobicContact CG2-CE1 4.28Å; I313-M327 HydrophobicContact CD1-SD 4.27Å; I313-M327 HydrophobicContact CG1-CE 4.49Å; I313-M327 HydrophobicContact CG1-SD 3.97Å
314	E	94	Very high	94.9	Very high	45 Å²	45	43 Å²	43	21%	0.21	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-36.6	178.9	-62	-76	-166	0	0	112.3	R312 E318 Q319 R336	R312-E314 VanDerWaalsContact C-N 3.28Å; R312-E314 PolarHBondContact O-N 2.95Å; E314-E318 PolarHBondContact O-N 3.38Å; E314-Q319 PolarHBondContact O-N 3.23Å; E314-R336 IonicContact OE1-CZ 3.61Å; E314-R336 IonicContact OE1-NH1 3.67Å; E314-R336 PolarHBondContact OE1-NH1 3.01Å; E314-R336 IonicContact OE1-NH2 2.71Å; E314-R336 PolarHBondContact OE1-NH2 3.32Å; E314-R336 IonicContact OE2-NH1 3.48Å; E314-R336 IonicContact OE2-NH2 2.86Å; E314-R336 PolarHBondContact OE2-NH2 3.02Å
315	E	94.3	Very high	94.9	Very high	126 Å²	126	43.1 Å²	43.1	59%	0.589	21%	0.212	S	C	*	.	H	α-helix	trans	-67.4	-41.6	173.5	-66.4	168.6	-152.8	0	0	111.1	R312 I313 E318	R312-E315 PolarHBondContact O-N 2.61Å; I313-E315 VanDerWaalsContact C-N 3.3Å; I313-E315 PolarHBondContact O-N 3.31Å; E315-E318 PolarHBondContact O-N 3.03Å; E315-E318 VanDerWaalsContact O-N 3.14Å
316	R	94	Very high	94.9	Very high	73 Å²	73	43.1 Å²	43.1	28%	0.275	21%	0.212	S	C	.	.	H	α-helix	trans	-66.3	-38.6	-177.3	-178.9	59.7	166.2	177.8	5	112.6	I273 D274 S282 R312 I313	I273-R316 HydrophobicContact CG2-CG 4.13Å; D274-R316 IonicContact OD1-CZ 2.63Å; D274-R316 IonicContact OD1-NE 3.98Å; D274-R316 IonicContact OD1-NH2 3.37Å; D274-R316 PolarHBondContact OD1-NH2 2.81Å; S282-R316 VanDerWaalsContact CB-NH1 3.35Å; S282-R316 PolarHBondContact OG-NH1 3.1Å; R312-R316 PolarHBondContact O-N 3.5Å; I313-R316 WeakPolarHBondContact O-CB 3.37Å; I313-R316 PolarHBondContact O-N 2.79Å
317	I	96	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	15	176	68.7	178.1	0	0	0	112.1	I273 I313 Q319 L320 L322 F325	I273-I317 HydrophobicContact CD1-CG2 3.81Å; I273-I317 HydrophobicContact CG1-CG2 4.23Å; I273-I317 HydrophobicContact CG2-CG2 4.48Å; I313-I317 WeakPolarHBondContact O-CG1 3.39Å; I313-I317 PolarHBondContact O-N 2.91Å; I317-Q319 VanDerWaalsContact C-N 3.26Å; I317-Q319 PolarHBondContact O-N 3.49Å; I317-L320 HydrophobicContact CB-CB 4.28Å; I317-L320 HydrophobicContact CB-CD1 4.3Å; I317-L320 HydrophobicContact CD1-CB 4.18Å; I317-L320 HydrophobicContact CG1-CB 4.19Å; I317-L320 WeakPolarHBondContact O-CB 3.42Å; I317-L320 VanDerWaalsContact O-CG 3.25Å; I317-L320 WeakPolarHBondContact O-CG 3.13Å; I317-L320 PolarHBondContact O-N 3.11Å; I317-L322 HydrophobicContact CD1-CD1 3.82Å; I317-L322 HydrophobicContact CD1-CG 4.38Å; I317-F325 HydrophobicContact CD1-CE1 3.91Å; I317-F325 HydrophobicContact CD1-CZ 4.5Å
318	E	94.8	Very high	95	Very high	48 Å²	48	43.4 Å²	43.4	22%	0.224	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	45	49	-179	-63.4	-166.2	130.4	0	0	113.7	K283 V284 R289 E314 E315 L320	K283-E318 WeakPolarHBondContact CD-OE1 3.44Å; K283-E318 WeakPolarHBondContact CE-OE1 3.39Å; K283-E318 IonicContact NZ-OE1 3.28Å; K283-E318 PolarHBondContact NZ-OE1 2.89Å; V284-E318 HydrophobicContact CG2-CB 4.37Å; V284-E318 PolarHBondContact N-OE2 3.08Å; R289-E318 IonicContact CZ-OE2 2.99Å; R289-E318 PolarHBondContact NH1-O 2.89Å; R289-E318 PolarHBondContact NH2-O 2.91Å; R289-E318 VanDerWaalsContact NH2-O 3.13Å; R289-E318 IonicContact NH2-OE2 2.71Å; R289-E318 PolarHBondContact NH2-OE2 2.91Å; E314-E318 PolarHBondContact O-N 3.38Å; E315-E318 PolarHBondContact O-N 3.03Å; E315-E318 VanDerWaalsContact O-N 3.14Å; E318-L320 PolarHBondContact O-N 2.96Å; E318-L320 VanDerWaalsContact O-N 3.16Å
319	Q	94.1	Very high	95.1	Very high	121 Å²	121	39.1 Å²	39.1	57%	0.565	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	31	177.8	-54	-71.3	-25.1	0	0	113.1	E314 I317	E314-Q319 PolarHBondContact O-N 3.23Å; I317-Q319 VanDerWaalsContact C-N 3.26Å; I317-Q319 PolarHBondContact O-N 3.49Å
320	L	95.4	Very high	95.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.			trans	-51.4	131.4	170.4	-90.3	174.3	0	0	0	109.9	L277 V284 R289 I292 I317 E318 L322 R336	L277-L320 HydrophobicContact CD1-CD1 4.38Å; L277-L320 HydrophobicContact CD2-CD1 4.09Å; V284-L320 HydrophobicContact CB-CD1 4.35Å; V284-L320 HydrophobicContact CG1-CD1 3.69Å; V284-L320 HydrophobicContact CG1-CD2 4.03Å; V284-L320 HydrophobicContact CG1-CG 3.99Å; V284-L320 HydrophobicContact CG2-CD1 3.75Å; V284-L320 HydrophobicContact CG2-CG 4.17Å; R289-L320 HydrophobicContact CB-CD2 4.33Å; R289-L320 HydrophobicContact CG-CD2 3.73Å; I292-L320 HydrophobicContact CD1-CD1 4.07Å; I292-L320 HydrophobicContact CD1-CD2 3.82Å; I317-L320 HydrophobicContact CB-CB 4.28Å; I317-L320 HydrophobicContact CB-CD1 4.3Å; I317-L320 HydrophobicContact CD1-CB 4.18Å; I317-L320 HydrophobicContact CG1-CB 4.19Å; I317-L320 WeakPolarHBondContact O-CB 3.42Å; I317-L320 VanDerWaalsContact O-CG 3.25Å; I317-L320 WeakPolarHBondContact O-CG 3.13Å; I317-L320 PolarHBondContact O-N 3.11Å; E318-L320 PolarHBondContact O-N 2.96Å; E318-L320 VanDerWaalsContact O-N 3.16Å; L320-L322 HydrophobicContact CB-CG 4.09Å; L320-L322 PolarHBondContact O-N 2.69Å; L320-R336 PolarHBondContact O-NH2 2.86Å
321	P	93.1	Very high	95.2	Very high	73 Å²	73	38.4 Å²	38.4	47%	0.474	18%	0.179	S	C	.	.			trans	-78.8	53.9	-172.9	34.4	-37.8	0	0	0	112	Q296	Q296-P321 PolarHBondContact NE2-O 3.37Å
322	L	98	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.169	C	C	.	.			trans	-73.1	149.1	180	-58.9	179.6	0	0	0	112	I292 C302 V304 I317 L320 F325 R336	I292-L322 HydrophobicContact CD1-CD2 4.01Å; I292-L322 HydrophobicContact CG2-CD2 4.16Å; C302-L322 HydrophobicContact CB-CD2 4.02Å; C302-L322 CarbonylContact O-C 3.55Å; C302-L322 WeakPolarHBondContact O-CA 3.07Å; V304-L322 HydrophobicContact CB-CD1 4.14Å; V304-L322 HydrophobicContact CG1-CD1 3.43Å; V304-L322 VanDerWaalsContact CG1-CD1 3.43Å; V304-L322 HydrophobicContact CG2-CD1 3.92Å; I317-L322 HydrophobicContact CD1-CD1 3.82Å; I317-L322 HydrophobicContact CD1-CG 4.38Å; L320-L322 HydrophobicContact CB-CG 4.09Å; L320-L322 PolarHBondContact O-N 2.69Å; L322-F325 HydrophobicContact CB-CZ 4.13Å; L322-R336 PolarHBondContact O-NE 3.04Å
323	D	98	Very high	95.8	Very high	50 Å²	50	29 Å²	29	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	-89.8	-34.5	-177.5	-53.7	-63.6	0	0	0	112.4	Q296 F301 C302 T335	Q296-D323 PolarHBondContact NE2-OD1 2.88Å; Q296-D323 PolarHBondContact NE2-OD2 3.15Å; F301-D323 HydrophobicContact CD1-CB 3.86Å; C302-D323 PolarHBondContact N-OD2 2.81Å; C302-D323 PolarHBondContact O-N 2.81Å; D323-T335 VanDerWaalsContact O-CA 3.31Å; D323-T335 WeakPolarHBondContact O-CA 3.21Å; D323-T335 WeakPolarHBondContact O-CB 3.47Å
324	V	98.4	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.6	-168.7	-166.2	0	0	0	0	111.9	F270 F301 G303 V304 V333 F458	F270-V324 HydrophobicContact CE1-CB 3.95Å; F270-V324 HydrophobicContact CE1-CG1 3.75Å; F270-V324 HydrophobicContact CZ-CB 4.38Å; F270-V324 HydrophobicContact CZ-CG1 4.13Å; F301-V324 HydrophobicContact CB-CG2 4.4Å; G303-V324 CarbonylContact C-O 3.54Å; G303-V324 WeakPolarHBondContact CA-O 3.31Å; V304-V324 PolarHBondContact N-O 2.95Å; V324-V333 HydrophobicContact CG1-CG1 4.43Å; V324-F458 HydrophobicContact CB-CD2 4.26Å; V324-F458 HydrophobicContact CB-CE2 4.29Å; V324-F458 HydrophobicContact CG1-CB 4.1Å; V324-F458 HydrophobicContact CG1-CD1 4.37Å; V324-F458 HydrophobicContact CG1-CD2 3.47Å; V324-F458 VanDerWaalsContact CG1-CD2 3.47Å; V324-F458 HydrophobicContact CG1-CE2 3.99Å; V324-F458 HydrophobicContact CG1-CG 3.7Å; V324-F458 HydrophobicContact CG2-CD1 4.36Å; V324-F458 HydrophobicContact CG2-CD2 3.68Å; V324-F458 HydrophobicContact CG2-CE1 3.95Å; V324-F458 HydrophobicContact CG2-CE2 3.25Å; V324-F458 HydrophobicContact CG2-CG 4.23Å; V324-F458 HydrophobicContact CG2-CZ 3.4Å; V324-F458 VanDerWaalsContact CG2-CZ 3.4Å
325	F	98.6	Very high	96.2	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	107.3	-177.8	-63.7	-94.8	0	0	0	110.4	V304 I313 I317 L322 M327 V333 Y334 R336	V304-F325 HydrophobicContact CG2-CD1 3.58Å; V304-F325 HydrophobicContact CG2-CE1 4.14Å; V304-F325 HydrophobicContact CG2-CG 4.31Å; I313-F325 HydrophobicContact CG2-CD1 4.32Å; I313-F325 HydrophobicContact CG2-CE1 4.28Å; I317-F325 HydrophobicContact CD1-CE1 3.91Å; I317-F325 HydrophobicContact CD1-CZ 4.5Å; L322-F325 HydrophobicContact CB-CZ 4.13Å; F325-M327 HydrophobicContact CB-CE 3.85Å; F325-M327 HydrophobicContact CB-CG 4.29Å; F325-M327 HydrophobicContact CB-SD 4.45Å; F325-M327 HydrophobicContact CD1-CE 4.19Å; F325-V333 WeakPolarHBondContact O-CA 3.47Å; F325-Y334 HydrophobicContact CB-CD1 4.04Å; F325-Y334 HydrophobicContact CB-CD2 3.83Å; F325-Y334 HydrophobicContact CB-CE1 3.6Å; F325-Y334 HydrophobicContact CB-CE2 3.35Å; F325-Y334 HydrophobicContact CB-CG 4.16Å; F325-Y334 HydrophobicContact CD1-CE2 4.17Å; F325-Y334 AromaticContact CD2-CD2 3.79Å; F325-Y334 HydrophobicContact CD2-CD2 3.79Å; F325-Y334 AromaticContact CD2-CE2 3.26Å; F325-Y334 HydrophobicContact CD2-CE2 3.26Å; F325-Y334 AromaticContact CD2-CZ 3.96Å; F325-Y334 HydrophobicContact CE2-CE2 4.07Å; F325-Y334 HydrophobicContact CG-CD2 4.08Å; F325-Y334 HydrophobicContact CG-CE1 4.37Å; F325-Y334 AromaticContact CG-CE2 3.33Å; F325-Y334 HydrophobicContact CG-CE2 3.33Å; F325-Y334 AromaticContact CG-CZ 3.5Å; F325-Y334 PolarHBondContact N-O 3.07Å; F325-Y334 PolarHBondContact O-N 3.15Å; F325-Y334 VanDerWaalsContact O-N 3.09Å; F325-R336 HydrophobicContact CE2-CG 4.2Å
326	V	98.5	Very high	96	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	96.8	173.7	176.3	0	0	0	0	108.7	F270 V304 A305 T306 V333 I455	F270-V326 HydrophobicContact CD1-CG2 4.25Å; F270-V326 HydrophobicContact CE1-CG2 3.84Å; V304-V326 WeakPolarHBondContact O-CA 3.23Å; V304-V326 WeakPolarHBondContact O-CB 3.18Å; V304-V326 PolarHBondContact O-N 3.44Å; A305-V326 WeakPolarHBondContact CA-O 3.23Å; A305-V326 HydrophobicContact CB-CB 4.04Å; A305-V326 HydrophobicContact CB-CG1 4.21Å; T306-V326 PolarHBondContact N-O 3.43Å; V326-V333 HydrophobicContact CG1-CG2 4.39Å; V326-V333 HydrophobicContact CG2-CG1 4.01Å; V326-V333 HydrophobicContact CG2-CG2 4.21Å; V326-I455 HydrophobicContact CG2-CG1 4.36Å
327	M	96.9	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	162	-170.2	-56.3	-68.6	98.5	0	0	112	V304 T306 P310 I313 F325 N329 G330 Q331 L332 Y334	V304-M327 HydrophobicContact CB-CE 4.32Å; V304-M327 HydrophobicContact CG2-CE 3.54Å; T306-M327 HydrophobicContact CG2-CE 3.47Å; T306-M327 VanDerWaalsContact CG2-CE 3.47Å; T306-M327 HydrophobicContact CG2-SD 3.97Å; T306-M327 CarbonylContact O-C 3.48Å; P310-M327 HydrophobicContact CB-CG 4.2Å; P310-M327 HydrophobicContact CB-SD 4.49Å; I313-M327 HydrophobicContact CD1-SD 4.27Å; I313-M327 HydrophobicContact CG1-CE 4.49Å; I313-M327 HydrophobicContact CG1-SD 3.97Å; F325-M327 HydrophobicContact CB-CE 3.85Å; F325-M327 HydrophobicContact CB-CG 4.29Å; F325-M327 HydrophobicContact CB-SD 4.45Å; F325-M327 HydrophobicContact CD1-CE 4.19Å; M327-N329 VanDerWaalsContact C-N 3.25Å; M327-N329 PolarHBondContact O-N 3.39Å; M327-G330 PolarHBondContact O-N 3.46Å; M327-Q331 PolarHBondContact O-N 3.03Å; M327-L332 HydrophobicContact CB-CB 4.26Å; M327-L332 HydrophobicContact CB-CD2 4.4Å; M327-L332 HydrophobicContact CB-CG 4.47Å; M327-L332 PolarHBondContact N-O 2.92Å; M327-L332 PolarHBondContact O-N 3.03Å; M327-Y334 HydrophobicContact CG-CE1 3.73Å
328	Y	94.3	Very high	95.9	Very high	41 Å²	41	39.4 Å²	39.4	16%	0.161	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	38	177.4	-62.5	-58.7	0	0	0	113.6	T306 R308 G309 P310 G330 Q331 L332 G367	T306-Y328 PolarHBondContact O-N 2.95Å; T306-Y328 VanDerWaalsContact O-N 3.17Å; R308-Y328 PolarHBondContact O-N 3.09Å; G309-Y328 WeakPolarHBondContact CA-OH 3.43Å; P310-Y328 HydrophobicContact CG-CE2 4.4Å; Y328-G330 VanDerWaalsContact C-N 3.35Å; Y328-G330 PolarHBondContact O-N 2.91Å; Y328-Q331 WeakPolarHBondContact O-CG 3.48Å; Y328-L332 HydrophobicContact CD2-CB 4.24Å; Y328-L332 HydrophobicContact CD2-CD2 4.34Å; Y328-L332 HydrophobicContact CE2-CD2 4.35Å; Y328-G367 WeakPolarHBondContact OH-CA 3.27Å
329	N	93.4	Very high	95.9	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.043	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.4	-172.1	-64.3	-44.1	0	0	0	112.1	T306 G307 M327 Q435 G449 S450	T306-N329 PolarHBondContact O-N 3.32Å; G307-N329 VanDerWaalsContact CA-OD1 3.27Å; G307-N329 WeakPolarHBondContact CA-OD1 3.38Å; G307-N329 PolarHBondContact N-OD1 3.5Å; M327-N329 VanDerWaalsContact C-N 3.25Å; M327-N329 PolarHBondContact O-N 3.39Å; N329-Q435 PolarHBondContact ND2-NE2 3.28Å; N329-Q435 PolarHBondContact ND2-OE1 2.87Å; N329-G449 CarbonylContact O-C 3.49Å; N329-S450 VanDerWaalsContact C-C 3.49Å; N329-S450 CarbonylContact C-O 3.55Å; N329-S450 CarbonylContact O-C 3.49Å; N329-S450 WeakPolarHBondContact O-CA 3.39Å; N329-S450 PolarHBondContact O-N 3.19Å; N329-S450 VanDerWaalsContact O-O 3.13Å
330	G	96	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	7.1	173	0	0	0	0	0	116.1	M327 Y328 L332 Y341 S450	M327-G330 PolarHBondContact O-N 3.46Å; Y328-G330 VanDerWaalsContact C-N 3.35Å; Y328-G330 PolarHBondContact O-N 2.91Å; G330-L332 PolarHBondContact O-N 2.94Å; G330-Y341 WeakPolarHBondContact O-CE1 3.37Å; G330-S450 WeakPolarHBondContact CA-O 3.37Å
331	Q	95.3	Very high	96.2	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.047	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.5	174.8	-53.9	-66.7	-23.4	0	0	112.5	M327 Y328 Q342 R343 V445 P446	M327-Q331 PolarHBondContact O-N 3.03Å; Y328-Q331 WeakPolarHBondContact O-CG 3.48Å; Q331-Q342 CarbonylContact O-C 3.56Å; Q331-Q342 WeakPolarHBondContact O-CA 3.29Å; Q331-R343 PolarHBondContact O-N 2.95Å; Q331-V445 HydrophobicContact CG-CB 4.14Å; Q331-V445 HydrophobicContact CG-CG1 4.45Å; Q331-P446 PolarHBondContact NE2-O 2.9Å
332	L	97	Very high	96.3	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	120.7	-179.8	172.8	62.7	0	0	0	109.3	P310 M327 Y328 G330 Y334 Y341 Q342 R369	P310-L332 HydrophobicContact CG-CD2 3.81Å; M327-L332 HydrophobicContact CB-CB 4.26Å; M327-L332 HydrophobicContact CB-CD2 4.4Å; M327-L332 HydrophobicContact CB-CG 4.47Å; M327-L332 PolarHBondContact N-O 2.92Å; M327-L332 PolarHBondContact O-N 3.03Å; Y328-L332 HydrophobicContact CD2-CB 4.24Å; Y328-L332 HydrophobicContact CD2-CD2 4.34Å; Y328-L332 HydrophobicContact CE2-CD2 4.35Å; G330-L332 PolarHBondContact O-N 2.94Å; L332-Y334 HydrophobicContact CD1-CD1 4.36Å; L332-Y334 HydrophobicContact CD2-CD1 4.33Å; L332-Y334 HydrophobicContact CD2-CE1 4.32Å; L332-Y334 HydrophobicContact CG-CD1 4.03Å; L332-Y334 HydrophobicContact CG-CE1 4.42Å; L332-Y341 WeakPolarHBondContact CA-O 3.42Å; L332-Q342 HydrophobicContact CD1-CB 4.48Å; L332-Q342 HydrophobicContact CD1-CG 3.73Å; L332-R369 HydrophobicContact CD2-CB 4.2Å
333	V	98.4	Very high	96	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.9	178.6	-173.3	0	0	0	0	108.7	V324 F325 V326 I340 Y341 G454 E457 F458	V324-V333 HydrophobicContact CG1-CG1 4.43Å; F325-V333 WeakPolarHBondContact O-CA 3.47Å; V326-V333 HydrophobicContact CG1-CG2 4.39Å; V326-V333 HydrophobicContact CG2-CG1 4.01Å; V326-V333 HydrophobicContact CG2-CG2 4.21Å; V333-I340 HydrophobicContact CB-CB 4.38Å; V333-I340 HydrophobicContact CG1-CB 4.19Å; V333-I340 HydrophobicContact CG1-CD1 4.14Å; V333-I340 HydrophobicContact CG1-CG2 4.47Å; V333-I340 PolarHBondContact O-N 3.3Å; V333-Y341 HydrophobicContact CG2-CD1 4.27Å; V333-Y341 PolarHBondContact N-O 2.86Å; V333-Y341 PolarHBondContact O-N 3.47Å; V333-Y341 VanDerWaalsContact O-N 3.09Å; V333-G454 WeakPolarHBondContact CG2-O 3.39Å; V333-E457 HydrophobicContact CG2-CB 4.41Å; V333-F458 HydrophobicContact CG1-CB 3.98Å
334	Y	98	Very high	95.7	Very high	5 Å²	5	47 Å²	47	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	157.3	177.9	63.9	-94.8	0	0	0	112.1	P310 F325 M327 L332 K338 R369	P310-Y334 HydrophobicContact CB-CE1 3.91Å; P310-Y334 WeakPolarHBondContact CB-OH 3.13Å; F325-Y334 HydrophobicContact CB-CD1 4.04Å; F325-Y334 HydrophobicContact CB-CD2 3.83Å; F325-Y334 HydrophobicContact CB-CE1 3.6Å; F325-Y334 HydrophobicContact CB-CE2 3.35Å; F325-Y334 HydrophobicContact CB-CG 4.16Å; F325-Y334 HydrophobicContact CD1-CE2 4.17Å; F325-Y334 AromaticContact CD2-CD2 3.79Å; F325-Y334 HydrophobicContact CD2-CD2 3.79Å; F325-Y334 AromaticContact CD2-CE2 3.26Å; F325-Y334 HydrophobicContact CD2-CE2 3.26Å; F325-Y334 AromaticContact CD2-CZ 3.96Å; F325-Y334 HydrophobicContact CE2-CE2 4.07Å; F325-Y334 HydrophobicContact CG-CD2 4.08Å; F325-Y334 HydrophobicContact CG-CE1 4.37Å; F325-Y334 AromaticContact CG-CE2 3.33Å; F325-Y334 HydrophobicContact CG-CE2 3.33Å; F325-Y334 AromaticContact CG-CZ 3.5Å; F325-Y334 PolarHBondContact N-O 3.07Å; F325-Y334 PolarHBondContact O-N 3.15Å; F325-Y334 VanDerWaalsContact O-N 3.09Å; M327-Y334 HydrophobicContact CG-CE1 3.73Å; L332-Y334 HydrophobicContact CD1-CD1 4.36Å; L332-Y334 HydrophobicContact CD2-CD1 4.33Å; L332-Y334 HydrophobicContact CD2-CE1 4.32Å; L332-Y334 HydrophobicContact CG-CD1 4.03Å; L332-Y334 HydrophobicContact CG-CE1 4.42Å; Y334-K338 WeakPolarHBondContact CA-O 3.45Å; Y334-K338 WeakPolarHBondContact CB-O 3.38Å; Y334-R369 VanDerWaalsContact CE1-CZ 3.4Å; Y334-R369 VanDerWaalsContact CE2-CZ 3.44Å; Y334-R369 VanDerWaalsContact CZ-NH1 3.27Å; Y334-R369 PolarHBondContact OH-NH1 3.4Å
335	T	97.2	Very high	95.3	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.135	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	173.7	160.2	72.7	0	0	0	0	109.6	D323 E337 K338 I340 F458	D323-T335 VanDerWaalsContact O-CA 3.31Å; D323-T335 WeakPolarHBondContact O-CA 3.21Å; D323-T335 WeakPolarHBondContact O-CB 3.47Å; T335-E337 PolarHBondContact O-N 2.64Å; T335-E337 VanDerWaalsContact O-N 3.1Å; T335-E337 PolarHBondContact OG1-N 2.82Å; T335-K338 PolarHBondContact N-O 2.91Å; T335-K338 PolarHBondContact O-N 3.44Å; T335-K338 PolarHBondContact OG1-N 3.42Å; T335-I340 HydrophobicContact CG2-CD1 3.59Å; T335-I340 HydrophobicContact CG2-CG1 4.42Å; T335-F458 HydrophobicContact CG2-CE2 4.33Å
336	R	91.1	Very high	94.9	Very high	130 Å²	130	52.4 Å²	52.4	49%	0.491	25%	0.25	S	S	.	.	S	Bend	trans	-57.1	-25.2	174	-66.1	-172.7	174.8	-80.5	-2.4	113.3	E314 L320 L322 F325	E314-R336 IonicContact OE1-CZ 3.61Å; E314-R336 IonicContact OE1-NH1 3.67Å; E314-R336 PolarHBondContact OE1-NH1 3.01Å; E314-R336 IonicContact OE1-NH2 2.71Å; E314-R336 PolarHBondContact OE1-NH2 3.32Å; E314-R336 IonicContact OE2-NH1 3.48Å; E314-R336 IonicContact OE2-NH2 2.86Å; E314-R336 PolarHBondContact OE2-NH2 3.02Å; L320-R336 PolarHBondContact O-NH2 2.86Å; L322-R336 PolarHBondContact O-NE 3.04Å; F325-R336 HydrophobicContact CE2-CG 4.2Å
337	E	91.8	Very high	94.5	Very high	183 Å²	183	56.4 Å²	56.4	86%	0.855	28%	0.283	S	S	*	.	S	Bend	trans	-96	-34.6	-174.6	-60.3	178.8	171.6	0	0	113.5	T335	T335-E337 PolarHBondContact O-N 2.64Å; T335-E337 VanDerWaalsContact O-N 3.1Å; T335-E337 PolarHBondContact OG1-N 2.82Å
338	K	95.2	Very high	94.2	Very high	126 Å²	126	62 Å²	62	55%	0.548	31%	0.31	S	S	.	.			trans	-150.9	151.9	-171.8	65.6	-178.1	-178.4	-177.1	0	113.3	Y334 T335	Y334-K338 WeakPolarHBondContact CA-O 3.45Å; Y334-K338 WeakPolarHBondContact CB-O 3.38Å; T335-K338 PolarHBondContact N-O 2.91Å; T335-K338 PolarHBondContact O-N 3.44Å; T335-K338 PolarHBondContact OG1-N 3.42Å
339	D	96.4	Very high	94.1	Very high	69 Å²	69	60.9 Å²	60.9	37%	0.369	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.6	164.7	-63	-22.9	0	0	0	108.9	Q342 R369	D339-Q342 PolarHBondContact OD2-NE2 3.5Å; D339-R369 IonicContact OD1-NE 3.2Å; D339-R369 PolarHBondContact OD1-NE 2.97Å
340	I	97	Very high	94	Very high	43 Å²	43	63.2 Å²	63.2	22%	0.221	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-46.7	-178.6	-66	162.5	0	0	0	110.5	V333 T335 F458 A461	V333-I340 HydrophobicContact CB-CB 4.38Å; V333-I340 HydrophobicContact CG1-CB 4.19Å; V333-I340 HydrophobicContact CG1-CD1 4.14Å; V333-I340 HydrophobicContact CG1-CG2 4.47Å; V333-I340 PolarHBondContact O-N 3.3Å; T335-I340 HydrophobicContact CG2-CD1 3.59Å; T335-I340 HydrophobicContact CG2-CG1 4.42Å; I340-F458 HydrophobicContact CD1-CD2 3.59Å; I340-F458 HydrophobicContact CD1-CE2 4.32Å; I340-A461 HydrophobicContact CG2-CB 3.84Å
341	Y	97.3	Very high	93.6	Very high	47 Å²	47	68.4 Å²	68.4	18%	0.184	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140.1	-177	174.6	-102.1	0	0	0	110.5	G330 L332 V333 R343 H453 E457	G330-Y341 WeakPolarHBondContact O-CE1 3.37Å; L332-Y341 WeakPolarHBondContact CA-O 3.42Å; V333-Y341 HydrophobicContact CG2-CD1 4.27Å; V333-Y341 PolarHBondContact N-O 2.86Å; V333-Y341 PolarHBondContact O-N 3.47Å; V333-Y341 VanDerWaalsContact O-N 3.09Å; Y341-R343 HydrophobicContact CE1-CB 4.07Å; Y341-H453 AromaticContact CE1-NE2 3.74Å; Y341-H453 AromaticContact CZ-NE2 3.52Å; Y341-H453 PolarHBondContact OH-NE2 3.36Å; Y341-E457 HydrophobicContact CD1-CB 4.42Å; Y341-E457 HydrophobicContact CD1-CG 3.9Å; Y341-E457 HydrophobicContact CD2-CG 3.91Å; Y341-E457 HydrophobicContact CE1-CG 4.24Å; Y341-E457 HydrophobicContact CE2-CG 4.28Å; Y341-E457 HydrophobicContact CG-CB 4.06Å; Y341-E457 HydrophobicContact CG-CG 3.69Å
342	Q	95.1	Very high	93.4	Very high	104 Å²	104	71.9 Å²	71.9	49%	0.486	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	133	177	-47.6	-171.3	46.3	0	0	109.2	Q331 L332 D339	Q331-Q342 CarbonylContact O-C 3.56Å; Q331-Q342 WeakPolarHBondContact O-CA 3.29Å; L332-Q342 HydrophobicContact CD1-CB 4.48Å; L332-Q342 HydrophobicContact CD1-CG 3.73Å; D339-Q342 PolarHBondContact OD2-NE2 3.5Å
343	R	92.7	Very high	93	Very high	85 Å²	85	71.9 Å²	71.9	32%	0.321	36%	0.356	S	S	.	.			trans	-126.1	84.1	171.6	-171	167.9	-176.9	-158.8	-9.5	109.7	Q331 Y341 P446 K447	Q331-R343 PolarHBondContact O-N 2.95Å; Y341-R343 HydrophobicContact CE1-CB 4.07Å; R343-P446 HydrophobicContact CG-CB 4.24Å; R343-P446 HydrophobicContact CG-CG 4.45Å; R343-K447 PolarHBondContact NH1-O 3.3Å; R343-K447 PolarHBondContact NH2-O 3.48Å; R343-K447 VanDerWaalsContact NH2-O 3.07Å
344	P	91.5	Very high	92.5	Very high	105 Å²	105	73.3 Å²	73.3	68%	0.682	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-72.4	162.7	176.5	31.6	-34.9	0	0	0	110.9
345	F	90.5	Very high	92	Very high	54 Å²	54	76.7 Å²	76.7	24%	0.237	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-63.9	147.5	164.7	-67.6	-78.9	0	0	0	111.1	T349 L350 I353 I444 P446	F345-T349 HydrophobicContact CD1-CG2 3.77Å; F345-T349 HydrophobicContact CE1-CG2 4.42Å; F345-L350 HydrophobicContact CB-CD1 4.29Å; F345-L350 HydrophobicContact CB-CD2 3.64Å; F345-L350 HydrophobicContact CB-CG 3.62Å; F345-L350 HydrophobicContact CD2-CD2 3.94Å; F345-L350 HydrophobicContact CG-CD2 3.96Å; F345-L350 HydrophobicContact CG-CG 4.45Å; F345-I353 HydrophobicContact CD1-CD1 4.29Å; F345-I353 HydrophobicContact CE1-CD1 4.13Å; F345-I353 HydrophobicContact CZ-CD1 4.46Å; F345-I444 HydrophobicContact CE1-CG2 4.03Å; F345-I444 HydrophobicContact CZ-CB 4.4Å; F345-I444 HydrophobicContact CZ-CG2 4.06Å; F345-I444 WeakPolarHBondContact CZ-O 3.12Å; F345-P446 HydrophobicContact CD1-CG 4.02Å; F345-P446 HydrophobicContact CE1-CG 4.03Å; F345-P446 HydrophobicContact CG-CG 4.39Å; F345-P446 HydrophobicContact CZ-CG 4.4Å
346	S	90.2	Very high	91.5	Very high	59 Å²	59	76.2 Å²	76.2	41%	0.413	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-66.5	154.1	166.6	83.2	0	0	0	0	110.4	E348 T349 L350	S346-E348 PolarHBondContact O-N 2.97Å; S346-E348 PolarHBondContact OG-N 2.95Å; S346-T349 PolarHBondContact O-N 3.03Å; S346-T349 WeakPolarHBondContact OG-CB 3.26Å; S346-T349 PolarHBondContact OG-N 3.15Å; S346-T349 PolarHBondContact OG-OG1 2.8Å; S346-L350 WeakPolarHBondContact O-CG 3.25Å; S346-L350 PolarHBondContact O-N 3.28Å
347	A	89	Confident	91.3	Very high	84 Å²	84	70.3 Å²	70.3	69%	0.694	36%	0.358	S	S	*	.	H	α-helix	trans	-57.7	-37	175.8	0	0	0	0	0	112	L350 Q351	A347-L350 PolarHBondContact O-N 3.03Å; A347-Q351 PolarHBondContact O-N 2.79Å
348	E	91.6	Very high	90.8	Very high	118 Å²	118	64.1 Å²	64.1	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-65.2	-45.8	176.4	-173.4	-177.4	175.9	0	0	111.8	S346 L350 Q351 R352	S346-E348 PolarHBondContact O-N 2.97Å; S346-E348 PolarHBondContact OG-N 2.95Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.3Å; E348-Q351 PolarHBondContact O-N 3.4Å; E348-R352 WeakPolarHBondContact O-CG 3.39Å; E348-R352 PolarHBondContact O-N 2.82Å; E348-R352 IonicContact OE1-CZ 2.89Å; E348-R352 IonicContact OE1-NE 2.74Å; E348-R352 IonicContact OE1-NH2 2.65Å; E348-R352 PolarHBondContact OE1-NH2 3.04Å
349	T	91.7	Very high	90.3	Very high	17 Å²	17	63.3 Å²	63.3	10%	0.104	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-43	176.9	-50.4	0	0	0	0	111.1	F345 S346 Q351 R352 I353 L429	F345-T349 HydrophobicContact CD1-CG2 3.77Å; F345-T349 HydrophobicContact CE1-CG2 4.42Å; S346-T349 PolarHBondContact O-N 3.03Å; S346-T349 WeakPolarHBondContact OG-CB 3.26Å; S346-T349 PolarHBondContact OG-N 3.15Å; S346-T349 PolarHBondContact OG-OG1 2.8Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 3.04Å; T349-R352 PolarHBondContact O-N 3.47Å; T349-I353 HydrophobicContact CG2-CD1 4.22Å; T349-I353 WeakPolarHBondContact O-CG1 3.41Å; T349-I353 PolarHBondContact O-N 3.45Å; T349-L429 HydrophobicContact CG2-CD2 4.02Å
350	L	89.9	Confident	89.6	Confident	58 Å²	58	62.3 Å²	62.3	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-43.5	175	-70.4	173.9	0	0	0	111.5	F345 S346 A347 E348 R352 I353 V354 F366	F345-L350 HydrophobicContact CB-CD1 4.29Å; F345-L350 HydrophobicContact CB-CD2 3.64Å; F345-L350 HydrophobicContact CB-CG 3.62Å; F345-L350 HydrophobicContact CD2-CD2 3.94Å; F345-L350 HydrophobicContact CG-CD2 3.96Å; F345-L350 HydrophobicContact CG-CG 4.45Å; S346-L350 WeakPolarHBondContact O-CG 3.25Å; S346-L350 PolarHBondContact O-N 3.28Å; A347-L350 PolarHBondContact O-N 3.03Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.3Å; L350-R352 PolarHBondContact O-N 3.3Å; L350-I353 PolarHBondContact O-N 3.23Å; L350-V354 WeakPolarHBondContact O-CG2 3.43Å; L350-V354 PolarHBondContact O-N 3.47Å; L350-F366 HydrophobicContact CD2-CD1 3.73Å; L350-F366 HydrophobicContact CD2-CE1 3.53Å
351	Q	88.3	Confident	88.9	Confident	108 Å²	108	67.8 Å²	67.8	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-41.5	177.6	-170.2	62	59.5	0	0	111.9	A347 E348 T349 I353 V354 N355	A347-Q351 PolarHBondContact O-N 2.79Å; E348-Q351 PolarHBondContact O-N 3.4Å; T349-Q351 VanDerWaalsContact C-N 3.32Å; T349-Q351 PolarHBondContact O-N 3.04Å; Q351-I353 VanDerWaalsContact C-N 3.35Å; Q351-I353 PolarHBondContact O-N 2.9Å; Q351-V354 PolarHBondContact O-N 3.45Å; Q351-N355 PolarHBondContact NE2-OD1 2.97Å; Q351-N355 WeakPolarHBondContact O-CB 3.49Å; Q351-N355 PolarHBondContact O-N 3Å; Q351-N355 PolarHBondContact O-OD1 3.47Å
352	R	91.4	Very high	88.2	Confident	84 Å²	84	68.7 Å²	68.7	32%	0.317	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.1	-68.2	-180	-167.9	-176.3	4.7	112.1	E348 T349 L350 N355 F356 L428 L429	E348-R352 WeakPolarHBondContact O-CG 3.39Å; E348-R352 PolarHBondContact O-N 2.82Å; E348-R352 IonicContact OE1-CZ 2.89Å; E348-R352 IonicContact OE1-NE 2.74Å; E348-R352 IonicContact OE1-NH2 2.65Å; E348-R352 PolarHBondContact OE1-NH2 3.04Å; T349-R352 PolarHBondContact O-N 3.47Å; L350-R352 PolarHBondContact O-N 3.3Å; R352-N355 PolarHBondContact O-N 3.45Å; R352-F356 WeakPolarHBondContact O-CB 3.3Å; R352-F356 PolarHBondContact O-N 3.49Å; R352-L428 HydrophobicContact CB-CG 4.36Å; R352-L428 PolarHBondContact NH1-O 3.47Å; R352-L429 HydrophobicContact CB-CD2 3.62Å
353	I	89.2	Confident	87.7	Confident	9 Å²	9	70 Å²	70	5%	0.046	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-45	175.4	-68.4	164.5	0	0	0	110.9	F345 T349 L350 Q351 A357 I364 F366 L429 I444	F345-I353 HydrophobicContact CD1-CD1 4.29Å; F345-I353 HydrophobicContact CE1-CD1 4.13Å; F345-I353 HydrophobicContact CZ-CD1 4.46Å; T349-I353 HydrophobicContact CG2-CD1 4.22Å; T349-I353 WeakPolarHBondContact O-CG1 3.41Å; T349-I353 PolarHBondContact O-N 3.45Å; L350-I353 PolarHBondContact O-N 3.23Å; Q351-I353 VanDerWaalsContact C-N 3.35Å; Q351-I353 PolarHBondContact O-N 2.9Å; I353-A357 WeakPolarHBondContact O-CB 3.46Å; I353-A357 PolarHBondContact O-N 2.77Å; I353-I364 HydrophobicContact CG2-CG2 4.01Å; I353-F366 HydrophobicContact CG2-CE1 4.24Å; I353-F366 HydrophobicContact CG2-CZ 4.31Å; I353-L429 HydrophobicContact CD1-CD1 4.31Å; I353-L429 HydrophobicContact CG1-CD1 3.56Å; I353-L429 HydrophobicContact CG1-CD2 3.94Å; I353-L429 HydrophobicContact CG1-CG 4.43Å; I353-I444 HydrophobicContact CD1-CG2 4.28Å; I353-I444 HydrophobicContact CG1-CD1 4.38Å; I353-I444 HydrophobicContact CG2-CD1 4.48Å
354	V	86.7	Confident	87.4	Confident	30 Å²	30	67.2 Å²	67.2	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-47.4	177.9	172.6	0	0	0	0	111	L350 Q351 A357 D358 I364 F366	L350-V354 WeakPolarHBondContact O-CG2 3.43Å; L350-V354 PolarHBondContact O-N 3.47Å; Q351-V354 PolarHBondContact O-N 3.45Å; V354-A357 PolarHBondContact O-N 2.91Å; V354-D358 WeakPolarHBondContact O-CB 3.38Å; V354-D358 PolarHBondContact O-N 2.91Å; V354-I364 HydrophobicContact CG2-CD1 4.29Å; V354-F366 HydrophobicContact CG2-CE2 4.15Å; V354-F366 HydrophobicContact CG2-CZ 3.71Å
355	N	88	Confident	87.2	Confident	75 Å²	75	68.1 Å²	68.1	40%	0.401	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-47.8	179.3	-66.9	-4.9	0	0	0	111.2	Q351 R352 A357 D358 D359	Q351-N355 PolarHBondContact NE2-OD1 2.97Å; Q351-N355 WeakPolarHBondContact O-CB 3.49Å; Q351-N355 PolarHBondContact O-N 3Å; Q351-N355 PolarHBondContact O-OD1 3.47Å; R352-N355 PolarHBondContact O-N 3.45Å; N355-A357 VanDerWaalsContact C-N 3.32Å; N355-A357 PolarHBondContact O-N 3.27Å; N355-D358 PolarHBondContact O-N 3.32Å; N355-D358 VanDerWaalsContact O-N 3.14Å; N355-D359 WeakPolarHBondContact O-CB 3.49Å; N355-D359 PolarHBondContact O-N 2.91Å
356	F	87.3	Confident	87.1	Confident	13 Å²	13	67.2 Å²	67.2	6%	0.057	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-46.1	177.2	179.2	-91.4	0	0	0	112.1	R352 D358 D359 E360 E421 R424 L425 L428	R352-F356 WeakPolarHBondContact O-CB 3.3Å; R352-F356 PolarHBondContact O-N 3.49Å; F356-D358 VanDerWaalsContact C-N 3.3Å; F356-D358 PolarHBondContact O-N 3.2Å; F356-D359 PolarHBondContact O-N 3.34Å; F356-E360 HydrophobicContact CD1-CG 4.43Å; F356-E360 HydrophobicContact CD2-CG 4.31Å; F356-E360 HydrophobicContact CE1-CB 4.4Å; F356-E360 HydrophobicContact CE1-CG 4.06Å; F356-E360 HydrophobicContact CE2-CG 3.95Å; F356-E360 HydrophobicContact CZ-CG 3.82Å; F356-E360 VanDerWaalsContact O-CB 3.31Å; F356-E360 WeakPolarHBondContact O-CB 3.47Å; F356-E360 WeakPolarHBondContact O-CG 3.27Å; F356-E360 PolarHBondContact O-N 3.44Å; F356-E421 HydrophobicContact CZ-CB 4.39Å; F356-E421 HydrophobicContact CZ-CG 4.33Å; F356-R424 HydrophobicContact CE2-CB 4.48Å; F356-R424 HydrophobicContact CE2-CG 4.14Å; F356-L425 HydrophobicContact CD1-CD2 3.54Å; F356-L425 HydrophobicContact CD1-CG 4.34Å; F356-L425 HydrophobicContact CD2-CD2 4.17Å; F356-L425 HydrophobicContact CE1-CD1 4.19Å; F356-L425 HydrophobicContact CE1-CD2 3.46Å; F356-L425 VanDerWaalsContact CE1-CD2 3.46Å; F356-L425 HydrophobicContact CE1-CG 3.74Å; F356-L425 HydrophobicContact CE2-CD2 4.08Å; F356-L425 HydrophobicContact CE2-CG 4.17Å; F356-L425 HydrophobicContact CG-CD2 3.91Å; F356-L425 HydrophobicContact CZ-CD1 4.36Å; F356-L425 HydrophobicContact CZ-CD2 3.74Å; F356-L425 HydrophobicContact CZ-CG 3.64Å; F356-L428 HydrophobicContact CB-CD2 3.61Å; F356-L428 HydrophobicContact CD2-CD2 3.73Å; F356-L428 HydrophobicContact CG-CD2 4Å
357	A	85.5	Confident	87	Confident	5 Å²	5	66.6 Å²	66.6	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-68	-32.4	180	0	0	0	0	0	112.6	I353 V354 N355 H361 R362 I364	I353-A357 WeakPolarHBondContact O-CB 3.46Å; I353-A357 PolarHBondContact O-N 2.77Å; V354-A357 PolarHBondContact O-N 2.91Å; N355-A357 VanDerWaalsContact C-N 3.32Å; N355-A357 PolarHBondContact O-N 3.27Å; A357-H361 CarbonylContact O-C 3.52Å; A357-H361 WeakPolarHBondContact O-CA 3.41Å; A357-H361 PolarHBondContact O-N 3.42Å; A357-R362 HydrophobicContact CB-CB 4.08Å; A357-R362 PolarHBondContact O-N 2.92Å; A357-I364 HydrophobicContact CB-CD1 3.22Å; A357-I364 HydrophobicContact CB-CG1 3.33Å
358	D	82.7	Confident	87	Confident	54 Å²	54	64 Å²	64	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-69.5	-46.6	176	-79.8	0.4	0	0	0	111.5	V354 N355 F356 E360 H361 K379	V354-D358 WeakPolarHBondContact O-CB 3.38Å; V354-D358 PolarHBondContact O-N 2.91Å; N355-D358 PolarHBondContact O-N 3.32Å; N355-D358 VanDerWaalsContact O-N 3.14Å; F356-D358 VanDerWaalsContact C-N 3.3Å; F356-D358 PolarHBondContact O-N 3.2Å; D358-E360 VanDerWaalsContact C-N 3.34Å; D358-E360 PolarHBondContact O-N 2.74Å; D358-H361 PolarHBondContact O-N 2.65Å; D358-H361 PolarHBondContact O-ND1 3.36Å; D358-K379 VanDerWaalsContact OD1-CE 3.27Å; D358-K379 WeakPolarHBondContact OD1-CE 3.36Å; D358-K379 IonicContact OD1-NZ 2.84Å; D358-K379 PolarHBondContact OD1-NZ 3.29Å; D358-K379 WeakPolarHBondContact OD2-CE 3.44Å; D358-K379 IonicContact OD2-NZ 3.24Å; D358-K379 PolarHBondContact OD2-NZ 3.31Å
359	D	83.3	Confident	86.9	Confident	108 Å²	108	61.6 Å²	61.6	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-40.5	177.4	-66.6	-17.5	0	0	0	111.7	N355 F356	N355-D359 WeakPolarHBondContact O-CB 3.49Å; N355-D359 PolarHBondContact O-N 2.91Å; F356-D359 PolarHBondContact O-N 3.34Å
360	E	83.4	Confident	86.7	Confident	49 Å²	49	71.1 Å²	71.1	23%	0.229	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5.3	-179.4	-61.9	-57.1	138	0	0	113.6	F356 D358 R362 R424	F356-E360 HydrophobicContact CD1-CG 4.43Å; F356-E360 HydrophobicContact CD2-CG 4.31Å; F356-E360 HydrophobicContact CE1-CB 4.4Å; F356-E360 HydrophobicContact CE1-CG 4.06Å; F356-E360 HydrophobicContact CE2-CG 3.95Å; F356-E360 HydrophobicContact CZ-CG 3.82Å; F356-E360 VanDerWaalsContact O-CB 3.31Å; F356-E360 WeakPolarHBondContact O-CB 3.47Å; F356-E360 WeakPolarHBondContact O-CG 3.27Å; F356-E360 PolarHBondContact O-N 3.44Å; D358-E360 VanDerWaalsContact C-N 3.34Å; D358-E360 PolarHBondContact O-N 2.74Å; E360-R362 VanDerWaalsContact C-N 3.28Å; E360-R362 HydrophobicContact CB-CG 3.86Å; E360-R362 PolarHBondContact O-N 2.75Å; E360-R362 PolarHBondContact O-NH1 2.89Å; E360-R424 IonicContact OE1-CZ 3.69Å; E360-R424 IonicContact OE1-NH1 3.4Å; E360-R424 PolarHBondContact OE1-NH1 3.23Å; E360-R424 IonicContact OE1-NH2 3.77Å; E360-R424 PolarHBondContact OE1-NH2 3.08Å
361	H	81.4	Confident	86.5	Confident	158 Å²	158	76.4 Å²	76.4	73%	0.731	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	43.6	-178.5	-54	-41.4	0	0	0	113.5	A357 D358	A357-H361 CarbonylContact O-C 3.52Å; A357-H361 WeakPolarHBondContact O-CA 3.41Å; A357-H361 PolarHBondContact O-N 3.42Å; D358-H361 PolarHBondContact O-N 2.65Å; D358-H361 PolarHBondContact O-ND1 3.36Å
362	R	82.3	Confident	86.3	Confident	66 Å²	66	75.2 Å²	75.2	25%	0.249	36%	0.359	C	S	.	.			trans	-95.7	150.1	179.1	-61.4	-75.8	170.8	-94.8	2.8	111.3	A357 E360 E421	A357-R362 HydrophobicContact CB-CB 4.08Å; A357-R362 PolarHBondContact O-N 2.92Å; E360-R362 VanDerWaalsContact C-N 3.28Å; E360-R362 HydrophobicContact CB-CG 3.86Å; E360-R362 PolarHBondContact O-N 2.75Å; E360-R362 PolarHBondContact O-NH1 2.89Å; R362-E421 IonicContact CZ-OE1 3.42Å; R362-E421 IonicContact CZ-OE2 3.57Å; R362-E421 IonicContact NE-OE1 3.23Å; R362-E421 IonicContact NE-OE2 3.63Å; R362-E421 PolarHBondContact NE-OE2 2.86Å; R362-E421 IonicContact NH2-OE1 2.69Å; R362-E421 PolarHBondContact NH2-OE1 2.69Å; R362-E421 IonicContact NH2-OE2 2.79Å; R362-E421 PolarHBondContact NH2-OE2 2.74Å
363	Q	84.5	Confident	85.6	Confident	132 Å²	132	73.6 Å²	73.6	62%	0.617	36%	0.357	S	S	*	.			trans	-86.4	146	168.3	-67.5	-166	-10.8	0	0	110.1
364	I	85.9	Confident	84.8	Confident	25 Å²	25	73.9 Å²	73.9	13%	0.128	36%	0.363	C	S	.	.			trans	-130	145.3	-178.8	-21.8	171	0	0	0	109.3	I353 V354 A357 F366 G374 S375	I353-I364 HydrophobicContact CG2-CG2 4.01Å; V354-I364 HydrophobicContact CG2-CD1 4.29Å; A357-I364 HydrophobicContact CB-CD1 3.22Å; A357-I364 HydrophobicContact CB-CG1 3.33Å; I364-F366 HydrophobicContact CB-CE2 4.39Å; I364-F366 HydrophobicContact CD1-CE2 4.4Å; I364-F366 HydrophobicContact CD1-CZ 4.28Å; I364-F366 HydrophobicContact CG2-CE1 4.43Å; I364-F366 HydrophobicContact CG2-CE2 4.28Å; I364-F366 HydrophobicContact CG2-CZ 4.05Å; I364-G374 CarbonylContact O-C 3.53Å; I364-G374 WeakPolarHBondContact O-CA 3.42Å; I364-S375 PolarHBondContact N-OG 2.93Å; I364-S375 PolarHBondContact O-N 2.9Å
365	I	87.5	Confident	83.5	Confident	124 Å²	124	73.3 Å²	73.3	64%	0.636	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.3	169.5	-57.9	175.8	0	0	0	107.4	M372 D373	I365-M372 HydrophobicContact CG2-CB 4.08Å; I365-M372 HydrophobicContact CG2-SD 4.35Å; I365-D373 CarbonylContact C-O 3.52Å; I365-D373 WeakPolarHBondContact CA-O 3.47Å
366	F	88.9	Confident	81.6	Confident	36 Å²	36	76 Å²	76	16%	0.158	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.5	173.8	-65	-75.1	0	0	0	109.8	L350 I353 V354 I364 M372 D373 M378	L350-F366 HydrophobicContact CD2-CD1 3.73Å; L350-F366 HydrophobicContact CD2-CE1 3.53Å; I353-F366 HydrophobicContact CG2-CE1 4.24Å; I353-F366 HydrophobicContact CG2-CZ 4.31Å; V354-F366 HydrophobicContact CG2-CE2 4.15Å; V354-F366 HydrophobicContact CG2-CZ 3.71Å; I364-F366 HydrophobicContact CB-CE2 4.39Å; I364-F366 HydrophobicContact CD1-CE2 4.4Å; I364-F366 HydrophobicContact CD1-CZ 4.28Å; I364-F366 HydrophobicContact CG2-CE1 4.43Å; I364-F366 HydrophobicContact CG2-CE2 4.28Å; I364-F366 HydrophobicContact CG2-CZ 4.05Å; F366-M372 CarbonylContact O-C 3.57Å; F366-M372 VanDerWaalsContact O-CA 3.25Å; F366-M372 WeakPolarHBondContact O-CA 3.39Å; F366-D373 HydrophobicContact CB-CB 4.46Å; F366-D373 PolarHBondContact N-O 3.41Å; F366-D373 PolarHBondContact O-N 2.83Å; F366-M378 HydrophobicContact CD2-CE 3.88Å; F366-M378 HydrophobicContact CE2-CE 3.5Å; F366-M378 VanDerWaalsContact CE2-CE 3.5Å
367	G	88.8	Confident	79.4	Confident	46 Å²	46	80.4 Å²	80.4	47%	0.474	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.2	174.7	0	0	0	0	0	111.8	Y328	Y328-G367 WeakPolarHBondContact OH-CA 3.27Å
368	G	89.3	Confident	77.4	Confident	28 Å²	28	83.3 Å²	83.3	29%	0.289	41%	0.407	S	S	.	.			trans	-128.2	177.2	171.2	0	0	0	0	0	112.3	P310 R370 R371	P310-G368 WeakPolarHBondContact CG-O 3.4Å; G368-R370 VanDerWaalsContact C-N 3.29Å; G368-R370 PolarHBondContact O-N 2.94Å; G368-R371 WeakPolarHBondContact CA-O 3.32Å; G368-R371 PolarHBondContact N-O 3.28Å
369	R	89	Confident	75.4	Confident	69 Å²	69	86.1 Å²	86.1	26%	0.26	42%	0.416	S	S	.	.	S	Bend	trans	-59.1	-35	-177.4	175.3	59.8	-174.6	105.4	-4.8	114.3	P310 L332 Y334 D339	P310-R369 WeakPolarHBondContact CG-O 3.19Å; L332-R369 HydrophobicContact CD2-CB 4.2Å; Y334-R369 VanDerWaalsContact CE1-CZ 3.4Å; Y334-R369 VanDerWaalsContact CE2-CZ 3.44Å; Y334-R369 VanDerWaalsContact CZ-NH1 3.27Å; Y334-R369 PolarHBondContact OH-NH1 3.4Å; D339-R369 IonicContact OD1-NE 3.2Å; D339-R369 PolarHBondContact OD1-NE 2.97Å
370	R	87.9	Confident	73.2	Confident	217 Å²	217	87 Å²	87	82%	0.819	41%	0.412	S	S	*	.	S	Bend	trans	-127.5	-12.8	-171.5	-58.1	-174.5	-177.3	172.9	0.1	114.2	G368	G368-R370 VanDerWaalsContact C-N 3.29Å; G368-R370 PolarHBondContact O-N 2.94Å
371	R	86.1	Confident	71	Confident	168 Å²	168	87.6 Å²	87.6	63%	0.634	42%	0.421	S	S	*	.			trans	-148.7	157.4	-177.3	69.1	-178.8	-163.6	-159.1	-0.2	111	G368 D373	G368-R371 WeakPolarHBondContact CA-O 3.32Å; G368-R371 PolarHBondContact N-O 3.28Å; R371-D373 IonicContact CZ-OD2 3.41Å; R371-D373 IonicContact NE-OD1 3.45Å; R371-D373 PolarHBondContact NE-OD1 3.2Å; R371-D373 IonicContact NE-OD2 2.8Å; R371-D373 PolarHBondContact NE-OD2 2.91Å; R371-D373 IonicContact NH2-OD2 3.16Å; R371-D373 PolarHBondContact NH2-OD2 3.16Å
372	M	83.8	Confident	69.2	Low	84 Å²	84	87.4 Å²	87.4	41%	0.414	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.1	167.2	-72.8	-174.6	-74.8	0	0	108.3	V311 I365 F366	V311-M372 HydrophobicContact CB-CE 3.91Å; V311-M372 HydrophobicContact CB-CG 4.16Å; V311-M372 HydrophobicContact CG1-CE 3.65Å; V311-M372 HydrophobicContact CG1-CG 4.45Å; V311-M372 HydrophobicContact CG2-CG 3.99Å; I365-M372 HydrophobicContact CG2-CB 4.08Å; I365-M372 HydrophobicContact CG2-SD 4.35Å; F366-M372 CarbonylContact O-C 3.57Å; F366-M372 VanDerWaalsContact O-CA 3.25Å; F366-M372 WeakPolarHBondContact O-CA 3.39Å
373	D	76.3	Confident	67.4	Low	49 Å²	49	88.6 Å²	88.6	26%	0.262	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.2	-177.8	-68.7	-41.4	0	0	0	109.5	I365 F366 R371	I365-D373 CarbonylContact C-O 3.52Å; I365-D373 WeakPolarHBondContact CA-O 3.47Å; F366-D373 HydrophobicContact CB-CB 4.46Å; F366-D373 PolarHBondContact N-O 3.41Å; F366-D373 PolarHBondContact O-N 2.83Å; R371-D373 IonicContact CZ-OD2 3.41Å; R371-D373 IonicContact NE-OD1 3.45Å; R371-D373 PolarHBondContact NE-OD1 3.2Å; R371-D373 IonicContact NE-OD2 2.8Å; R371-D373 PolarHBondContact NE-OD2 2.91Å; R371-D373 IonicContact NH2-OD2 3.16Å; R371-D373 PolarHBondContact NH2-OD2 3.16Å
374	G	71.9	Confident	65.7	Low	16 Å²	16	87.1 Å²	87.1	17%	0.165	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153	-178.6	0	0	0	0	0	113.7	I364 H376 L377 M378	I364-G374 CarbonylContact O-C 3.53Å; I364-G374 WeakPolarHBondContact O-CA 3.42Å; G374-H376 VanDerWaalsContact C-N 3.29Å; G374-H376 PolarHBondContact O-N 3.01Å; G374-L377 PolarHBondContact O-N 2.87Å; G374-M378 PolarHBondContact O-N 3.3Å; G374-M378 VanDerWaalsContact O-N 3.07Å
375	S	59.1	Low	63.9	Low	18 Å²	18	91.7 Å²	91.7	13%	0.126	46%	0.46	C	S	.	.	H	α-helix	trans	-58.3	-36.5	179.5	61.6	0	0	0	0	113.3	I364 M378 K379	I364-S375 PolarHBondContact N-OG 2.93Å; I364-S375 PolarHBondContact O-N 2.9Å; S375-M378 PolarHBondContact O-N 3.32Å; S375-K379 PolarHBondContact O-N 3.16Å
376	H	48.6	Very low	62.1	Low	132 Å²	132	88.6 Å²	88.6	61%	0.611	44%	0.444	S	S	*	.	H	α-helix	trans	-69.7	-31.4	173.4	-93.2	-72.9	0	0	0	113.2	G374 W380	G374-H376 VanDerWaalsContact C-N 3.29Å; G374-H376 PolarHBondContact O-N 3.01Å; H376-W380 WeakPolarHBondContact O-CB 3.36Å; H376-W380 PolarHBondContact O-N 2.81Å
377	L	41.9	Very low	60.3	Low	104 Å²	104	93.7 Å²	93.7	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-73.2	-35.7	175.9	-77.8	165	0	0	0	111.6	G374 W380 S381	G374-L377 PolarHBondContact O-N 2.87Å; L377-W380 HydrophobicContact CD2-CE3 4.49Å; L377-S381 VanDerWaalsContact O-CB 3.22Å; L377-S381 WeakPolarHBondContact O-CB 3.21Å; L377-S381 PolarHBondContact O-N 3.48Å; L377-S381 PolarHBondContact O-OG 3.07Å
378	M	41.9	Very low	58.7	Low	67 Å²	67	99.2 Å²	99.2	33%	0.33	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-47.5	175.2	-66.9	-151.8	-60.7	0	0	112.1	F366 G374 S375 W380 S381 Q382	F366-M378 HydrophobicContact CD2-CE 3.88Å; F366-M378 HydrophobicContact CE2-CE 3.5Å; F366-M378 VanDerWaalsContact CE2-CE 3.5Å; G374-M378 PolarHBondContact O-N 3.3Å; G374-M378 VanDerWaalsContact O-N 3.07Å; S375-M378 PolarHBondContact O-N 3.32Å; M378-W380 VanDerWaalsContact C-N 3.33Å; M378-W380 PolarHBondContact O-N 3.46Å; M378-S381 PolarHBondContact O-N 3.2Å; M378-S381 PolarHBondContact O-OG 3.29Å; M378-Q382 WeakPolarHBondContact O-CG 3.48Å; M378-Q382 PolarHBondContact O-N 3.16Å
379	K	41.7	Very low	57.1	Low	112 Å²	112	102.2 Å²	102.2	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-31.8	176	-69.7	-171.6	177.7	-174.7	0	113.2	D358 S375	D358-K379 VanDerWaalsContact OD1-CE 3.27Å; D358-K379 WeakPolarHBondContact OD1-CE 3.36Å; D358-K379 IonicContact OD1-NZ 2.84Å; D358-K379 PolarHBondContact OD1-NZ 3.29Å; D358-K379 WeakPolarHBondContact OD2-CE 3.44Å; D358-K379 IonicContact OD2-NZ 3.24Å; D358-K379 PolarHBondContact OD2-NZ 3.31Å; S375-K379 PolarHBondContact O-N 3.16Å
380	W	36.7	Very low	55.5	Low	128 Å²	128	100.4 Å²	100.4	49%	0.485	49%	0.486	S	S	.	.	H	α-helix	trans	-79.9	-32.7	179	-167.2	67.7	0	0	0	113.2	H376 L377 M378 A390	H376-W380 WeakPolarHBondContact O-CB 3.36Å; H376-W380 PolarHBondContact O-N 2.81Å; L377-W380 HydrophobicContact CD2-CE3 4.49Å; M378-W380 VanDerWaalsContact C-N 3.33Å; M378-W380 PolarHBondContact O-N 3.46Å; W380-A390 HydrophobicContact CH2-CB 4.2Å; W380-A390 HydrophobicContact CZ2-CB 3.88Å
381	S	38.1	Very low	54.2	Low	60 Å²	60	94.5 Å²	94.5	42%	0.42	48%	0.478	S	S	.	.	H	α-helix	trans	-76.3	-24.7	178.9	80.3	0	0	0	0	114.3	L377 M378	L377-S381 VanDerWaalsContact O-CB 3.22Å; L377-S381 WeakPolarHBondContact O-CB 3.21Å; L377-S381 PolarHBondContact O-N 3.48Å; L377-S381 PolarHBondContact O-OG 3.07Å; M378-S381 PolarHBondContact O-N 3.2Å; M378-S381 PolarHBondContact O-OG 3.29Å
382	Q	43.1	Very low	52.9	Low	155 Å²	155	97 Å²	97	72%	0.724	49%	0.488	S	S	*	.	H	α-helix	trans	-84.8	-17.5	-178.1	-70.9	-177.3	1.4	0	0	113.7	M378 S384	M378-Q382 WeakPolarHBondContact O-CG 3.48Å; M378-Q382 PolarHBondContact O-N 3.16Å; Q382-S384 PolarHBondContact O-N 3.38Å
383	N	45.4	Very low	51.1	Low	91 Å²	91	97.9 Å²	97.9	49%	0.487	49%	0.492	S	S	.	.			trans	-84.2	105.6	176.3	-88.3	-16.7	0	0	0	111.6	L385 L386 K387	N383-L385 PolarHBondContact O-N 3.09Å; N383-L385 VanDerWaalsContact O-N 3.13Å; N383-L386 HydrophobicContact CB-CB 4.21Å; N383-L386 HydrophobicContact CB-CD1 3.84Å; N383-L386 HydrophobicContact CB-CG 4.45Å; N383-L386 PolarHBondContact O-N 3.04Å; N383-L386 VanDerWaalsContact O-N 3.13Å; N383-K387 PolarHBondContact O-N 2.9Å
384	S	47.7	Very low	49.9	Very low	100 Å²	100	100.2 Å²	100.2	70%	0.699	51%	0.509	S	S	*	.	H	α-helix	trans	-56.7	-31.7	-178.9	79.2	0	0	0	0	113.5	Q382	Q382-S384 PolarHBondContact O-N 3.38Å
385	L	48.3	Very low	49	Very low	122 Å²	122	110.1 Å²	110.1	64%	0.639	55%	0.548	S	S	*	.	H	α-helix	trans	-71.7	-33.4	-177.8	-140.7	139.4	0	0	0	112.2	N383 K388 I389	N383-L385 PolarHBondContact O-N 3.09Å; N383-L385 VanDerWaalsContact O-N 3.13Å; L385-K388 WeakPolarHBondContact O-CB 3.19Å; L385-K388 PolarHBondContact O-N 2.66Å; L385-I389 HydrophobicContact CD2-CD1 3.93Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.08Å
386	L	50.2	Low	48.5	Very low	58 Å²	58	120.3 Å²	120.3	30%	0.304	58%	0.584	S	S	.	*	H	α-helix	trans	-78.7	-32.6	179.6	-83.9	157.1	0	0	0	112.9	N383 K388 I389 A390	N383-L386 HydrophobicContact CB-CB 4.21Å; N383-L386 HydrophobicContact CB-CD1 3.84Å; N383-L386 HydrophobicContact CB-CG 4.45Å; N383-L386 PolarHBondContact O-N 3.04Å; N383-L386 VanDerWaalsContact O-N 3.13Å; L386-K388 PolarHBondContact O-N 3.49Å; L386-I389 PolarHBondContact O-N 3.14Å; L386-A390 WeakPolarHBondContact O-CB 3.41Å; L386-A390 PolarHBondContact O-N 2.84Å
387	K	50.5	Low	48.9	Very low	144 Å²	144	120 Å²	120	63%	0.626	58%	0.581	S	S	*	*	H	α-helix	trans	-57.1	-39.4	168.5	-88.1	-176.1	177.9	172.2	0	111.7	N383 S391	N383-K387 PolarHBondContact O-N 2.9Å; K387-S391 PolarHBondContact O-N 3.01Å
388	K	55	Low	49.5	Very low	162 Å²	162	118.3 Å²	118.3	70%	0.704	58%	0.576	S	S	*	*	H	α-helix	trans	-65.3	-48.3	174.8	-96.2	-179.5	174.4	178.5	0	112.1	L385 L386 S391	L385-K388 WeakPolarHBondContact O-CB 3.19Å; L385-K388 PolarHBondContact O-N 2.66Å; L386-K388 PolarHBondContact O-N 3.49Å; K388-S391 PolarHBondContact O-N 3Å; K388-S391 PolarHBondContact O-OG 2.76Å
389	I	56	Low	50	Low	90 Å²	90	120 Å²	120	46%	0.462	59%	0.59	S	S	.	*	H	α-helix	trans	-65.1	-42.3	-178.4	-65.9	167.1	0	0	0	111.5	L385 L386 S391 W392	L385-I389 HydrophobicContact CD2-CD1 3.93Å; L385-I389 WeakPolarHBondContact O-CG1 3.27Å; L385-I389 PolarHBondContact O-N 3.08Å; L386-I389 PolarHBondContact O-N 3.14Å; I389-S391 VanDerWaalsContact C-N 3.28Å; I389-S391 PolarHBondContact O-N 3.24Å; I389-W392 PolarHBondContact O-N 2.82Å; I389-W392 VanDerWaalsContact O-N 3.12Å
390	A	55.4	Low	50.4	Low	32 Å²	32	125.3 Å²	125.3	26%	0.264	61%	0.607	S	S	.	*	H	α-helix	trans	-63.5	-32.7	178.2	0	0	0	0	0	113	W380 L386 W392 M393	W380-A390 HydrophobicContact CH2-CB 4.2Å; W380-A390 HydrophobicContact CZ2-CB 3.88Å; L386-A390 WeakPolarHBondContact O-CB 3.41Å; L386-A390 PolarHBondContact O-N 2.84Å; A390-W392 PolarHBondContact O-N 3.47Å; A390-M393 HydrophobicContact CB-CE 4.23Å; A390-M393 PolarHBondContact O-N 3.09Å
391	S	60.5	Low	51	Low	93 Å²	93	123.1 Å²	123.1	65%	0.65	61%	0.609	S	S	*	*	H	α-helix	trans	-67.7	-18.5	175.9	74.9	0	0	0	0	114.1	K387 K388 I389	K387-S391 PolarHBondContact O-N 3.01Å; K388-S391 PolarHBondContact O-N 3Å; K388-S391 PolarHBondContact O-OG 2.76Å; I389-S391 VanDerWaalsContact C-N 3.28Å; I389-S391 PolarHBondContact O-N 3.24Å
392	W	57.9	Low	51.6	Low	221 Å²	221	122.9 Å²	122.9	84%	0.837	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-6	-179.3	-104.3	67.4	0	0	0	113.8	I389 A390 P394	I389-W392 PolarHBondContact O-N 2.82Å; I389-W392 VanDerWaalsContact O-N 3.12Å; A390-W392 PolarHBondContact O-N 3.47Å; W392-P394 WeakPolarHBondContact O-CD 3.3Å
393	M	47.2	Very low	51.8	Low	102 Å²	102	123.7 Å²	123.7	50%	0.502	60%	0.602	S	S	.	*			trans	-78.8	124.6	-175.5	-79	-163.4	-72.7	0	0	112.4	A390	A390-M393 HydrophobicContact CB-CE 4.23Å; A390-M393 PolarHBondContact O-N 3.09Å
394	P	50.2	Low	51.8	Low	97 Å²	97	128.7 Å²	128.7	63%	0.63	61%	0.614	S	S	*	*			trans	-67.5	143.3	176.9	-19.3	31.9	0	0	0	113	W392 W396 F397	W392-P394 WeakPolarHBondContact O-CD 3.3Å; P394-W396 PolarHBondContact O-N 2.78Å; P394-F397 PolarHBondContact O-N 3.34Å
395	K	54.8	Low	51.8	Low	224 Å²	224	129.1 Å²	129.1	97%	0.974	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-11.2	-175.9	-67.7	-177.3	178.7	177.5	0	116.1
396	W	48.2	Very low	52	Low	232 Å²	232	129.7 Å²	129.7	88%	0.879	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-18.1	178.4	140.7	42.9	0	0	0	112.9	P394 P398	P394-W396 PolarHBondContact O-N 2.78Å; W396-P398 VanDerWaalsContact O-N 3.13Å
397	F	57.3	Low	51.9	Low	125 Å²	125	132.7 Å²	132.7	55%	0.548	62%	0.623	S	S	.	*			trans	-51.9	121.6	-172.1	-156.8	-96.7	0	0	0	113.4	P394 V399	P394-F397 PolarHBondContact O-N 3.34Å; F397-V399 VanDerWaalsContact O-CG2 3.31Å; F397-V399 WeakPolarHBondContact O-CG2 3.4Å; F397-V399 PolarHBondContact O-N 3.22Å
398	P	52.7	Low	51.8	Low	69 Å²	69	129.9 Å²	129.9	45%	0.448	62%	0.622	S	S	.	*			trans	-79.6	91.1	-168.9	30.9	-33.2	0	0	0	110.3	W396 R400 P401 T402	W396-P398 VanDerWaalsContact O-N 3.13Å; P398-R400 PolarHBondContact O-N 3.09Å; P398-P401 HydrophobicContact CB-CG 4.06Å; P398-P401 HydrophobicContact CG-CG 4.49Å; P398-P401 WeakPolarHBondContact O-CD 3.34Å; P398-T402 PolarHBondContact O-OG1 2.62Å
399	V	53.5	Low	51.3	Low	103 Å²	103	129.7 Å²	129.7	62%	0.624	62%	0.621	S	S	*	*	H	α-helix	trans	-66.8	-22.7	-176.6	-163	0	0	0	0	113	F397 T402 R403	F397-V399 VanDerWaalsContact O-CG2 3.31Å; F397-V399 WeakPolarHBondContact O-CG2 3.4Å; F397-V399 PolarHBondContact O-N 3.22Å; V399-T402 PolarHBondContact O-OG1 2.91Å; V399-R403 VanDerWaalsContact O-CB 3.24Å; V399-R403 WeakPolarHBondContact O-CB 3.26Å; V399-R403 PolarHBondContact O-N 3.25Å
400	R	49.4	Very low	50.9	Low	224 Å²	224	127.8 Å²	127.8	85%	0.845	62%	0.616	S	S	*	*	H	α-helix	trans	-73.3	-51.6	-173.4	-71.2	-176.5	173.8	179.1	-1.8	114.8	P398 R403 R404	P398-R400 PolarHBondContact O-N 3.09Å; R400-R403 PolarHBondContact O-N 2.94Å; R400-R404 PolarHBondContact O-N 2.89Å
401	P	50.6	Low	50.4	Low	81 Å²	81	131.8 Å²	131.8	53%	0.526	64%	0.64	S	S	.	*	H	α-helix	trans	-68.2	-37.6	178.7	22.9	-31.9	0	0	0	112.9	P398 R403 R404 L405	P398-P401 HydrophobicContact CB-CG 4.06Å; P398-P401 HydrophobicContact CG-CG 4.49Å; P398-P401 WeakPolarHBondContact O-CD 3.34Å; P401-R403 PolarHBondContact O-N 3.17Å; P401-R404 PolarHBondContact O-N 2.91Å; P401-L405 PolarHBondContact O-N 2.8Å
402	T	49	Very low	49.6	Very low	56 Å²	56	130.5 Å²	130.5	34%	0.344	63%	0.625	S	S	.	*	H	α-helix	trans	-61.1	-41.9	174.9	32.8	0	0	0	0	111.9	P398 V399 R404 L405 L406	P398-T402 PolarHBondContact O-OG1 2.62Å; V399-T402 PolarHBondContact O-OG1 2.91Å; T402-R404 VanDerWaalsContact C-N 3.32Å; T402-R404 PolarHBondContact O-N 3.42Å; T402-L405 PolarHBondContact O-N 2.99Å; T402-L406 WeakPolarHBondContact O-CB 3.28Å; T402-L406 VanDerWaalsContact O-CG 3.32Å; T402-L406 WeakPolarHBondContact O-CG 3.31Å; T402-L406 PolarHBondContact O-N 2.82Å
403	R	47.2	Very low	49	Very low	171 Å²	171	130.3 Å²	130.3	65%	0.645	62%	0.624	S	S	*	*	H	α-helix	trans	-62.4	-37.3	174.4	-170.7	177.2	-175.2	-175.4	1.2	112.9	V399 R400 P401 Q407	V399-R403 VanDerWaalsContact O-CB 3.24Å; V399-R403 WeakPolarHBondContact O-CB 3.26Å; V399-R403 PolarHBondContact O-N 3.25Å; R400-R403 PolarHBondContact O-N 2.94Å; P401-R403 PolarHBondContact O-N 3.17Å; R403-Q407 VanDerWaalsContact O-CG 3.3Å; R403-Q407 WeakPolarHBondContact O-CG 3.47Å; R403-Q407 PolarHBondContact O-N 3.41Å; R403-Q407 VanDerWaalsContact O-N 3.15Å
404	R	47.4	Very low	49	Very low	196 Å²	196	132.2 Å²	132.2	74%	0.74	63%	0.632	S	S	*	*	H	α-helix	trans	-71.6	-38	179.6	-155.1	-177.3	-82.6	164.9	-8.9	111.6	R400 P401 T402 Q407 S408	R400-R404 PolarHBondContact O-N 2.89Å; P401-R404 PolarHBondContact O-N 2.91Å; T402-R404 VanDerWaalsContact C-N 3.32Å; T402-R404 PolarHBondContact O-N 3.42Å; R404-Q407 PolarHBondContact O-N 3.47Å; R404-S408 PolarHBondContact O-N 2.9Å
405	L	47.7	Very low	48.8	Very low	110 Å²	110	136 Å²	136	58%	0.576	64%	0.639	S	S	*	*	H	α-helix	trans	-67.4	-41.5	173.6	-163	81.3	0	0	0	112	P401 T402 Q407 S408 F409	P401-L405 PolarHBondContact O-N 2.8Å; T402-L405 PolarHBondContact O-N 2.99Å; L405-Q407 PolarHBondContact O-N 2.83Å; L405-S408 PolarHBondContact O-N 2.62Å; L405-S408 PolarHBondContact O-OG 2.73Å; L405-F409 HydrophobicContact CG-CE2 4.24Å; L405-F409 VanDerWaalsContact O-CD2 3.31Å; L405-F409 WeakPolarHBondContact O-CD2 3.49Å
406	L	50.8	Low	48.5	Very low	134 Å²	134	128 Å²	128	70%	0.702	62%	0.62	S	S	*	*	H	α-helix	trans	-64.4	-30.8	175.8	-73.7	166.2	0	0	0	112.4	T402	T402-L406 WeakPolarHBondContact O-CB 3.28Å; T402-L406 VanDerWaalsContact O-CG 3.32Å; T402-L406 WeakPolarHBondContact O-CG 3.31Å; T402-L406 PolarHBondContact O-N 2.82Å
407	Q	49.4	Very low	48.7	Very low	120 Å²	120	124.3 Å²	124.3	56%	0.561	61%	0.606	S	S	*	*	H	α-helix	trans	-71.7	-29.7	174.8	-76.5	174	-3.8	0	0	113.2	R403 R404 L405 F409 S410	R403-Q407 VanDerWaalsContact O-CG 3.3Å; R403-Q407 WeakPolarHBondContact O-CG 3.47Å; R403-Q407 PolarHBondContact O-N 3.41Å; R403-Q407 VanDerWaalsContact O-N 3.15Å; R404-Q407 PolarHBondContact O-N 3.47Å; L405-Q407 PolarHBondContact O-N 2.83Å; Q407-F409 VanDerWaalsContact C-N 3.3Å; Q407-F409 PolarHBondContact O-N 2.7Å; Q407-S410 WeakPolarHBondContact O-CB 3.36Å; Q407-S410 PolarHBondContact O-N 3.48Å
408	S	49	Very low	48.5	Very low	86 Å²	86	119.6 Å²	119.6	60%	0.601	59%	0.589	S	S	*	*	H	α-helix	trans	-73.2	-21.8	178.2	58.5	0	0	0	0	113.6	R404 L405	R404-S408 PolarHBondContact O-N 2.9Å; L405-S408 PolarHBondContact O-N 2.62Å; L405-S408 PolarHBondContact O-OG 2.73Å
409	F	43.6	Very low	48.7	Very low	157 Å²	157	123.9 Å²	123.9	69%	0.689	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	8.5	174.1	-70	-74.7	0	0	0	113.6	L405 Q407 P411	L405-F409 HydrophobicContact CG-CE2 4.24Å; L405-F409 VanDerWaalsContact O-CD2 3.31Å; L405-F409 WeakPolarHBondContact O-CD2 3.49Å; Q407-F409 VanDerWaalsContact C-N 3.3Å; Q407-F409 PolarHBondContact O-N 2.7Å; F409-P411 WeakPolarHBondContact O-CD 3.42Å
410	S	46.5	Very low	49.3	Very low	50 Å²	50	125.3 Å²	125.3	35%	0.35	61%	0.608	S	S	.	*			trans	-68.8	116.2	178.7	-175.2	0	0	0	0	110.6	Q407 N412	Q407-S410 WeakPolarHBondContact O-CB 3.36Å; Q407-S410 PolarHBondContact O-N 3.48Å; S410-N412 PolarHBondContact O-N 2.78Å
411	P	45	Very low	50.4	Low	117 Å²	117	115.9 Å²	115.9	76%	0.76	57%	0.573	S	S	*	*	S	Bend	trans	-67.5	-2.6	177.2	-7.8	21.5	0	0	0	113.5	F409 R413	F409-P411 WeakPolarHBondContact O-CD 3.42Å; P411-R413 PolarHBondContact O-N 3.19Å
412	N	44.7	Very low	51.5	Low	65 Å²	65	113.9 Å²	113.9	35%	0.348	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	20.8	-173.4	-72.6	-10.2	0	0	0	115.5	S410	S410-N412 PolarHBondContact O-N 2.78Å
413	R	44.5	Very low	52.9	Low	217 Å²	217	117.5 Å²	117.5	82%	0.819	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	0.5	-179.1	-88.4	-166.5	-175.8	-179.8	3	116.1	P411 K415	P411-R413 PolarHBondContact O-N 3.19Å; R413-K415 PolarHBondContact O-N 3.03Å; R413-K415 VanDerWaalsContact O-N 3.17Å
414	Q	48.8	Very low	54.7	Low	142 Å²	142	115.1 Å²	115.1	66%	0.664	57%	0.568	S	S	*	*			trans	-76	106.3	177	-77	-172.6	-7.3	0	0	111.8
415	K	44.1	Very low	56.6	Low	177 Å²	177	106.2 Å²	106.2	77%	0.77	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	132.7	164	-89.7	-179.4	170.4	-178.2	0	109.5	R413	R413-K415 PolarHBondContact O-N 3.03Å; R413-K415 VanDerWaalsContact O-N 3.17Å
416	G	48.4	Very low	58.4	Low	56 Å²	56	105 Å²	105	58%	0.577	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.7	-22.1	173	0	0	0	0	0	116.1	A418	G416-A418 VanDerWaalsContact C-N 3.3Å; G416-A418 PolarHBondContact O-N 2.92Å
417	R	53.1	Low	60.2	Low	155 Å²	155	104.9 Å²	104.9	59%	0.585	52%	0.522	S	S	*	.	H	α-helix	trans	-69.6	-29.3	179.2	-126	176.6	-170.6	-177.6	-0.4	113.5	E419	R417-E419 PolarHBondContact O-N 2.99Å
418	A	52.9	Low	62.1	Low	25 Å²	25	102 Å²	102	21%	0.207	51%	0.51	C	S	.	.	H	α-helix	trans	-73.9	-23.9	-169.7	0	0	0	0	0	114.1	G416 E421 A422 R436	G416-A418 VanDerWaalsContact C-N 3.3Å; G416-A418 PolarHBondContact O-N 2.92Å; A418-E421 PolarHBondContact O-N 3.35Å; A418-A422 PolarHBondContact O-N 2.79Å; A418-R436 PolarHBondContact O-NH2 2.82Å
419	E	57.2	Low	64.2	Low	160 Å²	160	98 Å²	98	75%	0.748	48%	0.482	S	S	*	.	H	α-helix	trans	-65.3	-44.9	177.4	-82.1	177.3	168.1	0	0	111.5	R417 E421 A422	R417-E419 PolarHBondContact O-N 2.99Å; E419-E421 PolarHBondContact O-N 2.94Å; E419-A422 PolarHBondContact O-N 3.26Å
420	N	65.3	Low	66.4	Low	133 Å²	133	93.1 Å²	93.1	71%	0.711	47%	0.466	S	S	*	.	H	α-helix	trans	-63	-30.6	175.2	-71.1	-13.5	0	0	0	112.6
421	E	74	Confident	68.5	Low	25 Å²	25	95.9 Å²	95.9	12%	0.117	48%	0.477	C	S	.	.	H	α-helix	trans	-71	-30.4	177.8	-76.9	163.1	-135.1	0	0	113	F356 R362 A418 E419 Q423 R424 L425	F356-E421 HydrophobicContact CZ-CB 4.39Å; F356-E421 HydrophobicContact CZ-CG 4.33Å; R362-E421 IonicContact CZ-OE1 3.42Å; R362-E421 IonicContact CZ-OE2 3.57Å; R362-E421 IonicContact NE-OE1 3.23Å; R362-E421 IonicContact NE-OE2 3.63Å; R362-E421 PolarHBondContact NE-OE2 2.86Å; R362-E421 IonicContact NH2-OE1 2.69Å; R362-E421 PolarHBondContact NH2-OE1 2.69Å; R362-E421 IonicContact NH2-OE2 2.79Å; R362-E421 PolarHBondContact NH2-OE2 2.74Å; A418-E421 PolarHBondContact O-N 3.35Å; E419-E421 PolarHBondContact O-N 2.94Å; E421-Q423 PolarHBondContact O-N 2.96Å; E421-R424 PolarHBondContact O-N 3.17Å; E421-L425 WeakPolarHBondContact O-CB 3.47Å; E421-L425 WeakPolarHBondContact O-CG 3.42Å; E421-L425 PolarHBondContact O-N 3.45Å
422	A	72.3	Confident	70.7	Confident	40 Å²	40	90.5 Å²	90.5	33%	0.331	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-42.8	-178	0	0	0	0	0	111.7	A418 E419 L425 Q426	A418-A422 PolarHBondContact O-N 2.79Å; E419-A422 PolarHBondContact O-N 3.26Å; A422-L425 PolarHBondContact O-N 3.05Å; A422-Q426 WeakPolarHBondContact O-CB 3.26Å; A422-Q426 PolarHBondContact O-N 2.91Å
423	Q	79.7	Confident	72.8	Confident	131 Å²	131	89.1 Å²	89.1	61%	0.612	44%	0.438	S	S	*	.	H	α-helix	trans	-64	-45.5	176.3	-174.6	178	-10	0	0	111.3	E421 L425 Q426 E427	E421-Q423 PolarHBondContact O-N 2.96Å; Q423-L425 PolarHBondContact O-N 3.41Å; Q423-Q426 WeakPolarHBondContact O-CB 3.31Å; Q423-Q426 PolarHBondContact O-N 3.23Å; Q423-Q426 VanDerWaalsContact O-N 3.15Å; Q423-E427 PolarHBondContact NE2-OE1 3.17Å; Q423-E427 WeakPolarHBondContact O-CG 3.5Å; Q423-E427 PolarHBondContact O-N 2.69Å
424	R	83.7	Confident	74.9	Confident	121 Å²	121	81.1 Å²	81.1	46%	0.457	41%	0.409	S	S	.	.	H	α-helix	trans	-65.7	-38.1	179	-168.9	173.2	171.9	-160.8	-9.7	112.6	F356 E360 E421 Q426 E427 L428	F356-R424 HydrophobicContact CE2-CB 4.48Å; F356-R424 HydrophobicContact CE2-CG 4.14Å; E360-R424 IonicContact OE1-CZ 3.69Å; E360-R424 IonicContact OE1-NH1 3.4Å; E360-R424 PolarHBondContact OE1-NH1 3.23Å; E360-R424 IonicContact OE1-NH2 3.77Å; E360-R424 PolarHBondContact OE1-NH2 3.08Å; E421-R424 PolarHBondContact O-N 3.17Å; R424-Q426 VanDerWaalsContact C-N 3.34Å; R424-E427 PolarHBondContact O-N 3.48Å; R424-L428 VanDerWaalsContact O-CB 3.3Å; R424-L428 WeakPolarHBondContact O-CB 3.33Å; R424-L428 PolarHBondContact O-N 2.8Å
425	L	87.1	Confident	76.3	Confident	10 Å²	10	78.1 Å²	78.1	5%	0.052	40%	0.395	C	S	.	.	H	α-helix	trans	-61.7	-43.1	171.6	-83	172.9	0	0	0	111.2	F356 E421 A422 Q423 E427 L428 L429 F434 V442 I444	F356-L425 HydrophobicContact CD1-CD2 3.54Å; F356-L425 HydrophobicContact CD1-CG 4.34Å; F356-L425 HydrophobicContact CD2-CD2 4.17Å; F356-L425 HydrophobicContact CE1-CD1 4.19Å; F356-L425 HydrophobicContact CE1-CD2 3.46Å; F356-L425 VanDerWaalsContact CE1-CD2 3.46Å; F356-L425 HydrophobicContact CE1-CG 3.74Å; F356-L425 HydrophobicContact CE2-CD2 4.08Å; F356-L425 HydrophobicContact CE2-CG 4.17Å; F356-L425 HydrophobicContact CG-CD2 3.91Å; F356-L425 HydrophobicContact CZ-CD1 4.36Å; F356-L425 HydrophobicContact CZ-CD2 3.74Å; F356-L425 HydrophobicContact CZ-CG 3.64Å; E421-L425 WeakPolarHBondContact O-CB 3.47Å; E421-L425 WeakPolarHBondContact O-CG 3.42Å; E421-L425 PolarHBondContact O-N 3.45Å; A422-L425 PolarHBondContact O-N 3.05Å; Q423-L425 PolarHBondContact O-N 3.41Å; L425-E427 PolarHBondContact O-N 3.23Å; L425-L428 PolarHBondContact O-N 3.46Å; L425-L429 HydrophobicContact CD2-CD1 4.05Å; L425-L429 WeakPolarHBondContact O-CB 3.3Å; L425-L429 PolarHBondContact O-N 2.92Å; L425-F434 HydrophobicContact CB-CD1 4.33Å; L425-F434 HydrophobicContact CB-CE1 3.67Å; L425-F434 HydrophobicContact CB-CZ 3.84Å; L425-F434 HydrophobicContact CD1-CD1 4.44Å; L425-F434 HydrophobicContact CD1-CE1 4.27Å; L425-F434 HydrophobicContact CD2-CE1 4.34Å; L425-F434 HydrophobicContact CG-CE1 4.32Å; L425-F434 WeakPolarHBondContact O-CZ 3.45Å; L425-V442 HydrophobicContact CD1-CG1 4.45Å; L425-I444 HydrophobicContact CD2-CD1 4.46Å
426	Q	86.2	Confident	77.9	Confident	83 Å²	83	74.8 Å²	74.8	39%	0.388	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-38.6	179	-173.9	61.1	77	0	0	112.6	A422 Q423 R424 L429 F434	A422-Q426 WeakPolarHBondContact O-CB 3.26Å; A422-Q426 PolarHBondContact O-N 2.91Å; Q423-Q426 WeakPolarHBondContact O-CB 3.31Å; Q423-Q426 PolarHBondContact O-N 3.23Å; Q423-Q426 VanDerWaalsContact O-N 3.15Å; R424-Q426 VanDerWaalsContact C-N 3.34Å; Q426-L429 CarbonylContact O-C 3.54Å; Q426-F434 HydrophobicContact CB-CE2 4.23Å
427	E	88.1	Confident	78.6	Confident	133 Å²	133	75.6 Å²	75.6	62%	0.621	37%	0.374	S	S	*	.	H	α-helix	trans	-68	-41.3	173.7	-72.2	171.2	-168.2	0	0	112	Q423 R424 L425	Q423-E427 PolarHBondContact NE2-OE1 3.17Å; Q423-E427 WeakPolarHBondContact O-CG 3.5Å; Q423-E427 PolarHBondContact O-N 2.69Å; R424-E427 PolarHBondContact O-N 3.48Å; L425-E427 PolarHBondContact O-N 3.23Å
428	L	90.4	Very high	79.4	Confident	58 Å²	58	71.8 Å²	71.8	30%	0.304	37%	0.365	S	S	.	.	H	α-helix	trans	-73.9	-34.1	-178.2	-177	65.2	0	0	0	113.3	R352 F356 R424 L425 P430	R352-L428 HydrophobicContact CB-CG 4.36Å; R352-L428 PolarHBondContact NH1-O 3.47Å; F356-L428 HydrophobicContact CB-CD2 3.61Å; F356-L428 HydrophobicContact CD2-CD2 3.73Å; F356-L428 HydrophobicContact CG-CD2 4Å; R424-L428 VanDerWaalsContact O-CB 3.3Å; R424-L428 WeakPolarHBondContact O-CB 3.33Å; R424-L428 PolarHBondContact O-N 2.8Å; L425-L428 PolarHBondContact O-N 3.46Å; L428-P430 VanDerWaalsContact C-CD 3.42Å; L428-P430 WeakPolarHBondContact O-CD 3.49Å
429	L	91.9	Very high	80.3	Confident	3 Å²	3	74.6 Å²	74.6	2%	0.016	38%	0.381	C	S	.	.			trans	-126.4	66.1	-174.8	-46.2	165.6	0	0	0	110.1	T349 R352 I353 L425 Q426 D431 C432 F434 I444	T349-L429 HydrophobicContact CG2-CD2 4.02Å; R352-L429 HydrophobicContact CB-CD2 3.62Å; I353-L429 HydrophobicContact CD1-CD1 4.31Å; I353-L429 HydrophobicContact CG1-CD1 3.56Å; I353-L429 HydrophobicContact CG1-CD2 3.94Å; I353-L429 HydrophobicContact CG1-CG 4.43Å; L425-L429 HydrophobicContact CD2-CD1 4.05Å; L425-L429 WeakPolarHBondContact O-CB 3.3Å; L425-L429 PolarHBondContact O-N 2.92Å; Q426-L429 CarbonylContact O-C 3.54Å; L429-D431 PolarHBondContact O-N 3.11Å; L429-D431 VanDerWaalsContact O-N 3.15Å; L429-C432 HydrophobicContact CB-CB 3.96Å; L429-C432 PolarHBondContact O-N 3.38Å; L429-F434 HydrophobicContact CB-CZ 3.98Å; L429-F434 HydrophobicContact CD1-CE1 4.13Å; L429-F434 HydrophobicContact CD1-CZ 4.15Å; L429-I444 HydrophobicContact CD1-CD1 4.23Å; L429-I444 HydrophobicContact CD1-CG2 4.4Å
430	P	90.6	Very high	81.2	Confident	55 Å²	55	74.3 Å²	74.3	36%	0.357	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.4	-176.4	26.8	-36	0	0	0	113.6	L428 C432 K447	L428-P430 VanDerWaalsContact C-CD 3.42Å; L428-P430 WeakPolarHBondContact O-CD 3.49Å; P430-C432 VanDerWaalsContact C-N 3.3Å; P430-K447 PolarHBondContact O-NZ 3.25Å
431	D	89.8	Confident	81.9	Confident	108 Å²	108	69.6 Å²	69.6	58%	0.578	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	11.1	177.9	-57.5	-45.3	0	0	0	113.3	L429 K447	L429-D431 PolarHBondContact O-N 3.11Å; L429-D431 VanDerWaalsContact O-N 3.15Å; D431-K447 VanDerWaalsContact O-CB 3.25Å; D431-K447 WeakPolarHBondContact O-CB 3.31Å; D431-K447 PolarHBondContact O-N 3.4Å
432	C	91.9	Very high	82.4	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.9	176.3	-62.3	0	0	0	0	111.7	L429 P430 F434 I444 V445	L429-C432 HydrophobicContact CB-CB 3.96Å; L429-C432 PolarHBondContact O-N 3.38Å; P430-C432 VanDerWaalsContact C-N 3.3Å; C432-F434 HydrophobicContact CB-CE2 4.27Å; C432-F434 HydrophobicContact CB-CZ 4.06Å; C432-I444 HydrophobicContact CB-CG2 3.74Å; C432-V445 CarbonylContact C-O 3.47Å; C432-V445 VanDerWaalsContact CA-O 3.27Å; C432-V445 WeakPolarHBondContact CA-O 3.47Å; C432-V445 WeakPolarHBondContact CB-O 3.33Å
433	S	89.5	Confident	83.1	Confident	37 Å²	37	72.3 Å²	72.3	26%	0.259	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145.6	165.3	-67.1	0	0	0	0	109.2	V445	S433-V445 PolarHBondContact N-O 2.97Å; S433-V445 PolarHBondContact O-N 2.9Å
434	F	87.1	Confident	83.6	Confident	49 Å²	49	68 Å²	68	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.1	-177.5	-56.3	-87.3	0	0	0	109.8	L425 Q426 L429 C432 V442 D443 I444	L425-F434 HydrophobicContact CB-CD1 4.33Å; L425-F434 HydrophobicContact CB-CE1 3.67Å; L425-F434 HydrophobicContact CB-CZ 3.84Å; L425-F434 HydrophobicContact CD1-CD1 4.44Å; L425-F434 HydrophobicContact CD1-CE1 4.27Å; L425-F434 HydrophobicContact CD2-CE1 4.34Å; L425-F434 HydrophobicContact CG-CE1 4.32Å; L425-F434 WeakPolarHBondContact O-CZ 3.45Å; Q426-F434 HydrophobicContact CB-CE2 4.23Å; L429-F434 HydrophobicContact CB-CZ 3.98Å; L429-F434 HydrophobicContact CD1-CE1 4.13Å; L429-F434 HydrophobicContact CD1-CZ 4.15Å; C432-F434 HydrophobicContact CB-CE2 4.27Å; C432-F434 HydrophobicContact CB-CZ 4.06Å; F434-V442 HydrophobicContact CB-CG1 4.11Å; F434-V442 HydrophobicContact CD1-CG1 3.87Å; F434-V442 HydrophobicContact CG-CG1 4.49Å; F434-D443 WeakPolarHBondContact CA-O 3.42Å; F434-I444 HydrophobicContact CD1-CG1 3.94Å; F434-I444 HydrophobicContact CD1-CG2 4.34Å; F434-I444 HydrophobicContact CE1-CD1 4.14Å; F434-I444 HydrophobicContact CE1-CG1 3.99Å; F434-I444 HydrophobicContact CE1-CG2 3.99Å
435	Q	79.7	Confident	84	Confident	79 Å²	79	63.1 Å²	63.1	37%	0.369	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.4	172.6	-66.2	-179.7	7.2	0	0	108.9	N329 V442 D443	N329-Q435 PolarHBondContact ND2-NE2 3.28Å; N329-Q435 PolarHBondContact ND2-OE1 2.87Å; Q435-V442 CarbonylContact O-C 3.58Å; Q435-D443 HydrophobicContact CB-CB 4.44Å; Q435-D443 PolarHBondContact N-O 3.48Å; Q435-D443 PolarHBondContact O-N 2.99Å
436	R	76.6	Confident	84.1	Confident	107 Å²	107	63.2 Å²	63.2	40%	0.404	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.1	173.3	-77.5	-178.3	178.6	-101.6	-2	109.3	A418 V442	A418-R436 PolarHBondContact O-NH2 2.82Å; R436-V442 HydrophobicContact CG-CG2 4.23Å
437	S	64.4	Low	84.3	Confident	73 Å²	73	63.5 Å²	63.5	51%	0.51	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-27.7	170.8	38.5	0	0	0	0	112.9	S441 D443	S437-S441 PolarHBondContact OG-OG 2.72Å; S437-D443 WeakPolarHBondContact CB-OD2 3.43Å; S437-D443 PolarHBondContact OG-OD1 2.96Å; S437-D443 PolarHBondContact OG-OD2 3.27Å
438	N	69.5	Low	84.2	Confident	74 Å²	74	62.9 Å²	62.9	40%	0.396	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	173.3	172.7	67.6	68.2	0	0	0	110.9	Y440 S441	N438-Y440 PolarHBondContact O-N 3.19Å; N438-Y440 WeakPolarHBondContact OD1-CA 3.29Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.46Å; N438-Y440 PolarHBondContact OD1-N 3.43Å; N438-S441 VanDerWaalsContact CG-OG 3.25Å; N438-S441 PolarHBondContact ND2-OG 3.28Å; N438-S441 PolarHBondContact O-N 2.89Å; N438-S441 PolarHBondContact OD1-N 2.52Å; N438-S441 VanDerWaalsContact OD1-N 3.15Å; N438-S441 PolarHBondContact OD1-OG 3.46Å
439	P	71.4	Confident	84.1	Confident	84 Å²	84	61 Å²	61	55%	0.545	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.1	-177.9	-26.8	36.5	0	0	0	115.8
440	Y	75.1	Confident	84.2	Confident	154 Å²	154	62 Å²	62	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-2.8	-172.3	-49.7	-77.5	0	0	0	114	N438	N438-Y440 PolarHBondContact O-N 3.19Å; N438-Y440 WeakPolarHBondContact OD1-CA 3.29Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.46Å; N438-Y440 PolarHBondContact OD1-N 3.43Å
441	S	81.3	Confident	84.5	Confident	34 Å²	34	59.5 Å²	59.5	24%	0.238	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.6	177.9	59.5	0	0	0	0	112.4	S437 N438	S437-S441 PolarHBondContact OG-OG 2.72Å; N438-S441 VanDerWaalsContact CG-OG 3.25Å; N438-S441 PolarHBondContact ND2-OG 3.28Å; N438-S441 PolarHBondContact O-N 2.89Å; N438-S441 PolarHBondContact OD1-N 2.52Å; N438-S441 VanDerWaalsContact OD1-N 3.15Å; N438-S441 PolarHBondContact OD1-OG 3.46Å
442	V	85	Confident	84.9	Confident	50 Å²	50	55.8 Å²	55.8	30%	0.303	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.5	169.3	-179.9	0	0	0	0	106.9	L425 F434 Q435 R436 I444	L425-V442 HydrophobicContact CD1-CG1 4.45Å; F434-V442 HydrophobicContact CB-CG1 4.11Å; F434-V442 HydrophobicContact CD1-CG1 3.87Å; F434-V442 HydrophobicContact CG-CG1 4.49Å; Q435-V442 CarbonylContact O-C 3.58Å; R436-V442 HydrophobicContact CG-CG2 4.23Å; V442-I444 HydrophobicContact CG1-CG1 4.31Å
443	D	87	Confident	85.1	Confident	73 Å²	73	57.8 Å²	57.8	39%	0.39	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.2	171.4	-59.5	-42.2	0	0	0	107.9	F434 Q435 S437	F434-D443 WeakPolarHBondContact CA-O 3.42Å; Q435-D443 HydrophobicContact CB-CB 4.44Å; Q435-D443 PolarHBondContact N-O 3.48Å; Q435-D443 PolarHBondContact O-N 2.99Å; S437-D443 WeakPolarHBondContact CB-OD2 3.43Å; S437-D443 PolarHBondContact OG-OD1 2.96Å; S437-D443 PolarHBondContact OG-OD2 3.27Å
444	I	89.9	Confident	85.6	Confident	41 Å²	41	56 Å²	56	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.8	178.1	-49.2	179.4	0	0	0	106.5	F345 I353 L425 L429 C432 F434 V442	F345-I444 HydrophobicContact CE1-CG2 4.03Å; F345-I444 HydrophobicContact CZ-CB 4.4Å; F345-I444 HydrophobicContact CZ-CG2 4.06Å; F345-I444 WeakPolarHBondContact CZ-O 3.12Å; I353-I444 HydrophobicContact CD1-CG2 4.28Å; I353-I444 HydrophobicContact CG1-CD1 4.38Å; I353-I444 HydrophobicContact CG2-CD1 4.48Å; L425-I444 HydrophobicContact CD2-CD1 4.46Å; L429-I444 HydrophobicContact CD1-CD1 4.23Å; L429-I444 HydrophobicContact CD1-CG2 4.4Å; C432-I444 HydrophobicContact CB-CG2 3.74Å; F434-I444 HydrophobicContact CD1-CG1 3.94Å; F434-I444 HydrophobicContact CD1-CG2 4.34Å; F434-I444 HydrophobicContact CE1-CD1 4.14Å; F434-I444 HydrophobicContact CE1-CG1 3.99Å; F434-I444 HydrophobicContact CE1-CG2 3.99Å; V442-I444 HydrophobicContact CG1-CG1 4.31Å
445	V	90.5	Very high	86.1	Confident	17 Å²	17	53.7 Å²	53.7	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.6	172.2	-64.2	0	0	0	0	109.7	Q331 C432 S433	Q331-V445 HydrophobicContact CG-CB 4.14Å; Q331-V445 HydrophobicContact CG-CG1 4.45Å; C432-V445 CarbonylContact C-O 3.47Å; C432-V445 VanDerWaalsContact CA-O 3.27Å; C432-V445 WeakPolarHBondContact CA-O 3.47Å; C432-V445 WeakPolarHBondContact CB-O 3.33Å; S433-V445 PolarHBondContact N-O 2.97Å; S433-V445 PolarHBondContact O-N 2.9Å
446	P	91	Very high	87	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.078	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	144.1	170.2	-25.3	35	0	0	0	112.1	Q331 R343 F345	Q331-P446 PolarHBondContact NE2-O 2.9Å; R343-P446 HydrophobicContact CG-CB 4.24Å; R343-P446 HydrophobicContact CG-CG 4.45Å; F345-P446 HydrophobicContact CD1-CG 4.02Å; F345-P446 HydrophobicContact CE1-CG 4.03Å; F345-P446 HydrophobicContact CG-CG 4.39Å; F345-P446 HydrophobicContact CZ-CG 4.4Å
447	K	89.8	Confident	88	Confident	90 Å²	90	49.6 Å²	49.6	39%	0.391	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	157.6	-179.1	-162.4	176.5	-169.8	168.4	0	111.6	R343 P430 D431 G449	R343-K447 PolarHBondContact NH1-O 3.3Å; R343-K447 PolarHBondContact NH2-O 3.48Å; R343-K447 VanDerWaalsContact NH2-O 3.07Å; P430-K447 PolarHBondContact O-NZ 3.25Å; D431-K447 VanDerWaalsContact O-CB 3.25Å; D431-K447 WeakPolarHBondContact O-CB 3.31Å; D431-K447 PolarHBondContact O-N 3.4Å; K447-G449 VanDerWaalsContact C-N 3.28Å; K447-G449 PolarHBondContact O-N 3.28Å
448	N	85.7	Confident	89.6	Confident	120 Å²	120	46.5 Å²	46.5	64%	0.642	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	20.3	179.5	-47.3	-28	0	0	0	115.2
449	G	88	Confident	90.9	Very high	19 Å²	19	43.1 Å²	43.1	20%	0.196	23%	0.226	C	C	.	.			trans	-98.1	147.7	163.2	0	0	0	0	0	111.3	N329 K447	N329-G449 CarbonylContact O-C 3.49Å; K447-G449 VanDerWaalsContact C-N 3.28Å; K447-G449 PolarHBondContact O-N 3.28Å
450	S	94.5	Very high	92.1	Very high	24 Å²	24	47 Å²	47	17%	0.168	24%	0.235	C	C	.	.			trans	-153.1	165.1	169.3	69.9	0	0	0	0	109.8	N329 G330 Y452 H453 G454 E480	N329-S450 VanDerWaalsContact C-C 3.49Å; N329-S450 CarbonylContact C-O 3.55Å; N329-S450 CarbonylContact O-C 3.49Å; N329-S450 WeakPolarHBondContact O-CA 3.39Å; N329-S450 PolarHBondContact O-N 3.19Å; N329-S450 VanDerWaalsContact O-O 3.13Å; G330-S450 WeakPolarHBondContact CA-O 3.37Å; S450-Y452 PolarHBondContact O-N 3.45Å; S450-Y452 PolarHBondContact OG-N 2.97Å; S450-H453 PolarHBondContact O-N 2.83Å; S450-H453 PolarHBondContact OG-N 3.24Å; S450-G454 PolarHBondContact O-N 3.31Å; S450-E480 WeakPolarHBondContact CB-OE2 3.47Å; S450-E480 PolarHBondContact OG-OE2 3.33Å
451	K	97.3	Very high	93.1	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-52.6	-44.3	171.6	-68.5	-175	-173.4	-171.4	0	110.9	D272 A305 G454 I455 N477 D478 M481	D272-K451 IonicContact OD1-NZ 3.73Å; D272-K451 PolarHBondContact OD1-NZ 3.45Å; D272-K451 IonicContact OD2-NZ 3.92Å; D272-K451 PolarHBondContact OD2-NZ 2.96Å; A305-K451 HydrophobicContact CB-CB 4.07Å; A305-K451 HydrophobicContact CB-CD 4.29Å; A305-K451 HydrophobicContact CB-CG 4.28Å; A305-K451 WeakPolarHBondContact O-CD 3.2Å; A305-K451 WeakPolarHBondContact O-CE 3.33Å; A305-K451 PolarHBondContact O-NZ 3.26Å; K451-G454 PolarHBondContact O-N 3.03Å; K451-I455 WeakPolarHBondContact O-CG1 3.34Å; K451-I455 PolarHBondContact O-N 2.95Å; K451-N477 WeakPolarHBondContact CE-ND2 3.16Å; K451-D478 VanDerWaalsContact CD-OD1 3.3Å; K451-D478 WeakPolarHBondContact CD-OD1 3.17Å; K451-D478 WeakPolarHBondContact CE-OD1 3.46Å; K451-D478 IonicContact NZ-OD1 3.64Å; K451-D478 PolarHBondContact NZ-OD1 3.28Å; K451-M481 HydrophobicContact CB-SD 3.98Å; K451-M481 HydrophobicContact CD-CE 4.32Å; K451-M481 HydrophobicContact CD-SD 4.2Å
452	Y	97.9	Very high	93.7	Very high	31 Å²	31	43.2 Å²	43.2	12%	0.122	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-47.5	176.6	179.1	-114.1	0	0	0	112.6	S450 G454 I455 L456 E480 M481 K484 V485	S450-Y452 PolarHBondContact O-N 3.45Å; S450-Y452 PolarHBondContact OG-N 2.97Å; Y452-G454 VanDerWaalsContact C-N 3.29Å; Y452-G454 PolarHBondContact O-N 3Å; Y452-I455 WeakPolarHBondContact O-CB 3.39Å; Y452-I455 PolarHBondContact O-N 3.17Å; Y452-I455 VanDerWaalsContact O-N 3.13Å; Y452-L456 HydrophobicContact CD1-CD1 4.11Å; Y452-L456 HydrophobicContact CD1-CG 4.43Å; Y452-L456 HydrophobicContact CE1-CD1 3.48Å; Y452-L456 VanDerWaalsContact CE1-CD1 3.48Å; Y452-L456 HydrophobicContact CE1-CD2 4.46Å; Y452-L456 HydrophobicContact CE1-CG 4Å; Y452-L456 HydrophobicContact CE2-CD1 4.45Å; Y452-L456 HydrophobicContact CE2-CD2 4.02Å; Y452-L456 HydrophobicContact CE2-CG 4.13Å; Y452-L456 PolarHBondContact O-N 3.47Å; Y452-E480 HydrophobicContact CD1-CG 3.96Å; Y452-E480 HydrophobicContact CG-CG 4.04Å; Y452-M481 HydrophobicContact CD2-CB 4.25Å; Y452-K484 HydrophobicContact CD1-CD 3.81Å; Y452-K484 HydrophobicContact CD2-CB 4.08Å; Y452-K484 HydrophobicContact CE1-CB 4.03Å; Y452-K484 HydrophobicContact CE1-CD 3.42Å; Y452-K484 VanDerWaalsContact CE1-CD 3.42Å; Y452-K484 HydrophobicContact CE1-CG 4.42Å; Y452-K484 HydrophobicContact CE2-CB 3.47Å; Y452-K484 VanDerWaalsContact CE2-CB 3.47Å; Y452-K484 HydrophobicContact CE2-CD 4.37Å; Y452-K484 HydrophobicContact CG-CD 4.43Å; Y452-K484 VanDerWaalsContact CZ-CB 3.43Å; Y452-K484 PolarHBondContact OH-O 2.9Å; Y452-V485 HydrophobicContact CD2-CG1 4.23Å; Y452-V485 HydrophobicContact CE2-CG1 4.02Å
453	H	96.9	Very high	94	Very high	44 Å²	44	43.8 Å²	43.8	20%	0.204	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-43.3	176.4	176.1	60.1	0	0	0	111.8	Y341 S450 I455 L456 E457	Y341-H453 AromaticContact CE1-NE2 3.74Å; Y341-H453 AromaticContact CZ-NE2 3.52Å; Y341-H453 PolarHBondContact OH-NE2 3.36Å; S450-H453 PolarHBondContact O-N 2.83Å; S450-H453 PolarHBondContact OG-N 3.24Å; H453-I455 VanDerWaalsContact C-N 3.35Å; H453-I455 PolarHBondContact O-N 2.91Å; H453-L456 WeakPolarHBondContact O-CB 3Å; H453-L456 PolarHBondContact O-N 3.42Å; H453-L456 VanDerWaalsContact O-N 3.14Å; H453-E457 IonicContact CE1-OE1 3.01Å; H453-E457 PolarHBondContact CE1-OE1 3.49Å; H453-E457 VanDerWaalsContact CE1-OE1 3.22Å; H453-E457 IonicContact NE2-OE1 3.54Å; H453-E457 PolarHBondContact O-N 2.93Å
454	G	98	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-35.3	176.6	0	0	0	0	0	113.9	V333 S450 K451 Y452 L456 E457 F458	V333-G454 WeakPolarHBondContact CG2-O 3.39Å; S450-G454 PolarHBondContact O-N 3.31Å; K451-G454 PolarHBondContact O-N 3.03Å; Y452-G454 VanDerWaalsContact C-N 3.29Å; Y452-G454 PolarHBondContact O-N 3Å; G454-L456 VanDerWaalsContact C-N 3.33Å; G454-E457 PolarHBondContact O-N 3.48Å; G454-F458 PolarHBondContact O-N 3.41Å
455	I	98.6	Very high	94.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-41.8	170.8	-70.2	163.2	0	0	0	110.6	F270 A305 V326 K451 Y452 H453 E457 F458 T459 V469 V471 M481	F270-I455 HydrophobicContact CB-CD1 3.91Å; F270-I455 HydrophobicContact CB-CG1 4.24Å; F270-I455 HydrophobicContact CD1-CG1 3.94Å; F270-I455 HydrophobicContact CD2-CB 4.48Å; F270-I455 HydrophobicContact CD2-CD1 4.14Å; F270-I455 HydrophobicContact CD2-CG1 3.83Å; F270-I455 HydrophobicContact CD2-CG2 3.91Å; F270-I455 HydrophobicContact CE1-CG1 4.22Å; F270-I455 HydrophobicContact CE2-CB 4.42Å; F270-I455 HydrophobicContact CE2-CG1 4.13Å; F270-I455 HydrophobicContact CE2-CG2 3.77Å; F270-I455 HydrophobicContact CG-CD1 3.94Å; F270-I455 HydrophobicContact CG-CG1 3.72Å; F270-I455 HydrophobicContact CZ-CG1 4.31Å; F270-I455 HydrophobicContact CZ-CG2 4.41Å; A305-I455 HydrophobicContact CB-CD1 4.08Å; A305-I455 HydrophobicContact CB-CG1 4.34Å; V326-I455 HydrophobicContact CG2-CG1 4.36Å; K451-I455 WeakPolarHBondContact O-CG1 3.34Å; K451-I455 PolarHBondContact O-N 2.95Å; Y452-I455 WeakPolarHBondContact O-CB 3.39Å; Y452-I455 PolarHBondContact O-N 3.17Å; Y452-I455 VanDerWaalsContact O-N 3.13Å; H453-I455 VanDerWaalsContact C-N 3.35Å; H453-I455 PolarHBondContact O-N 2.91Å; I455-E457 PolarHBondContact O-N 3.44Å; I455-F458 PolarHBondContact O-N 2.75Å; I455-T459 HydrophobicContact CG2-CG2 4.07Å; I455-T459 WeakPolarHBondContact O-CB 3.45Å; I455-T459 VanDerWaalsContact O-CG2 3.28Å; I455-T459 WeakPolarHBondContact O-CG2 3.37Å; I455-T459 PolarHBondContact O-N 3.14Å; I455-T459 PolarHBondContact O-OG1 2.83Å; I455-V469 HydrophobicContact CG2-CG1 4.14Å; I455-V471 HydrophobicContact CD1-CG1 4.03Å; I455-M481 HydrophobicContact CD1-CB 3.99Å; I455-M481 HydrophobicContact CD1-SD 3.74Å
456	L	98.1	Very high	94.2	Very high	53 Å²	53	42.9 Å²	42.9	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-62.2	-40.4	176.7	-69.5	-173.9	0	0	0	112.7	Y452 H453 G454 F458 T459 K460 P466	Y452-L456 HydrophobicContact CD1-CD1 4.11Å; Y452-L456 HydrophobicContact CD1-CG 4.43Å; Y452-L456 HydrophobicContact CE1-CD1 3.48Å; Y452-L456 VanDerWaalsContact CE1-CD1 3.48Å; Y452-L456 HydrophobicContact CE1-CD2 4.46Å; Y452-L456 HydrophobicContact CE1-CG 4Å; Y452-L456 HydrophobicContact CE2-CD1 4.45Å; Y452-L456 HydrophobicContact CE2-CD2 4.02Å; Y452-L456 HydrophobicContact CE2-CG 4.13Å; Y452-L456 PolarHBondContact O-N 3.47Å; H453-L456 WeakPolarHBondContact O-CB 3Å; H453-L456 PolarHBondContact O-N 3.42Å; H453-L456 VanDerWaalsContact O-N 3.14Å; G454-L456 VanDerWaalsContact C-N 3.33Å; L456-F458 VanDerWaalsContact C-N 3.34Å; L456-F458 PolarHBondContact O-N 2.85Å; L456-T459 VanDerWaalsContact CA-OG1 3.29Å; L456-T459 WeakPolarHBondContact CA-OG1 3.5Å; L456-T459 PolarHBondContact O-N 3.24Å; L456-T459 PolarHBondContact O-OG1 3.1Å; L456-T459 VanDerWaalsContact O-OG1 3.09Å; L456-K460 WeakPolarHBondContact O-CB 3.48Å; L456-K460 PolarHBondContact O-N 2.88Å; L456-P466 HydrophobicContact CD2-CB 4.47Å; L456-P466 HydrophobicContact CD2-CG 3.74Å
457	E	97.9	Very high	93.9	Very high	47 Å²	47	47.4 Å²	47.4	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-40.2	176.2	-66.7	-60.4	149.4	0	0	112	V333 Y341 H453 G454 I455 A461	V333-E457 HydrophobicContact CG2-CB 4.41Å; Y341-E457 HydrophobicContact CD1-CB 4.42Å; Y341-E457 HydrophobicContact CD1-CG 3.9Å; Y341-E457 HydrophobicContact CD2-CG 3.91Å; Y341-E457 HydrophobicContact CE1-CG 4.24Å; Y341-E457 HydrophobicContact CE2-CG 4.28Å; Y341-E457 HydrophobicContact CG-CB 4.06Å; Y341-E457 HydrophobicContact CG-CG 3.69Å; H453-E457 IonicContact CE1-OE1 3.01Å; H453-E457 PolarHBondContact CE1-OE1 3.49Å; H453-E457 VanDerWaalsContact CE1-OE1 3.22Å; H453-E457 IonicContact NE2-OE1 3.54Å; H453-E457 PolarHBondContact O-N 2.93Å; G454-E457 PolarHBondContact O-N 3.48Å; I455-E457 PolarHBondContact O-N 3.44Å; E457-A461 PolarHBondContact O-N 2.94Å
458	F	98.4	Very high	94	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-52.9	172.9	169.6	-99.6	0	0	0	112.2	A268 F270 F301 V324 V333 T335 I340 G454 I455 L456 K460 A461 A462 I464	A268-F458 HydrophobicContact CB-CE1 4.16Å; F270-F458 HydrophobicContact CE2-CD1 4.1Å; F270-F458 HydrophobicContact CZ-CB 4.32Å; F270-F458 AromaticContact CZ-CD1 3.49Å; F270-F458 HydrophobicContact CZ-CD1 3.49Å; F270-F458 VanDerWaalsContact CZ-CD1 3.49Å; F270-F458 HydrophobicContact CZ-CE1 4.06Å; F270-F458 HydrophobicContact CZ-CG 4.04Å; F301-F458 HydrophobicContact CB-CE1 4.29Å; F301-F458 HydrophobicContact CB-CZ 4.04Å; F301-F458 HydrophobicContact CD1-CZ 4.11Å; F301-F458 HydrophobicContact CD2-CE1 4.48Å; F301-F458 AromaticContact CD2-CZ 3.99Å; F301-F458 HydrophobicContact CD2-CZ 3.99Å; F301-F458 HydrophobicContact CE2-CZ 4.48Å; F301-F458 HydrophobicContact CG-CE1 4.4Å; F301-F458 AromaticContact CG-CZ 3.78Å; F301-F458 HydrophobicContact CG-CZ 3.78Å; V324-F458 HydrophobicContact CB-CD2 4.26Å; V324-F458 HydrophobicContact CB-CE2 4.29Å; V324-F458 HydrophobicContact CG1-CB 4.1Å; V324-F458 HydrophobicContact CG1-CD1 4.37Å; V324-F458 HydrophobicContact CG1-CD2 3.47Å; V324-F458 VanDerWaalsContact CG1-CD2 3.47Å; V324-F458 HydrophobicContact CG1-CE2 3.99Å; V324-F458 HydrophobicContact CG1-CG 3.7Å; V324-F458 HydrophobicContact CG2-CD1 4.36Å; V324-F458 HydrophobicContact CG2-CD2 3.68Å; V324-F458 HydrophobicContact CG2-CE1 3.95Å; V324-F458 HydrophobicContact CG2-CE2 3.25Å; V324-F458 HydrophobicContact CG2-CG 4.23Å; V324-F458 HydrophobicContact CG2-CZ 3.4Å; V324-F458 VanDerWaalsContact CG2-CZ 3.4Å; V333-F458 HydrophobicContact CG1-CB 3.98Å; T335-F458 HydrophobicContact CG2-CE2 4.33Å; I340-F458 HydrophobicContact CD1-CD2 3.59Å; I340-F458 HydrophobicContact CD1-CE2 4.32Å; G454-F458 PolarHBondContact O-N 3.41Å; I455-F458 PolarHBondContact O-N 2.75Å; L456-F458 VanDerWaalsContact C-N 3.34Å; L456-F458 PolarHBondContact O-N 2.85Å; F458-K460 VanDerWaalsContact C-N 3.31Å; F458-K460 PolarHBondContact O-N 3.15Å; F458-A461 CarbonylContact O-C 3.56Å; F458-A461 WeakPolarHBondContact O-CA 3.49Å; F458-A461 WeakPolarHBondContact O-CB 3.47Å; F458-A461 PolarHBondContact O-N 3.18Å; F458-A462 HydrophobicContact CE1-CB 4.07Å; F458-A462 HydrophobicContact CE2-CB 4.26Å; F458-A462 HydrophobicContact CZ-CB 3.88Å; F458-A462 WeakPolarHBondContact O-CB 3.1Å; F458-A462 PolarHBondContact O-N 2.77Å; F458-I464 HydrophobicContact CE1-CD1 4.12Å
459	T	97	Very high	94.4	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-39	-172.9	51	0	0	0	0	111.6	I455 L456 A461 A462 G463 I464 V469	I455-T459 HydrophobicContact CG2-CG2 4.07Å; I455-T459 WeakPolarHBondContact O-CB 3.45Å; I455-T459 VanDerWaalsContact O-CG2 3.28Å; I455-T459 WeakPolarHBondContact O-CG2 3.37Å; I455-T459 PolarHBondContact O-N 3.14Å; I455-T459 PolarHBondContact O-OG1 2.83Å; L456-T459 VanDerWaalsContact CA-OG1 3.29Å; L456-T459 WeakPolarHBondContact CA-OG1 3.5Å; L456-T459 PolarHBondContact O-N 3.24Å; L456-T459 PolarHBondContact O-OG1 3.1Å; L456-T459 VanDerWaalsContact O-OG1 3.09Å; T459-A461 PolarHBondContact O-N 2.99Å; T459-A462 CarbonylContact O-C 3.44Å; T459-A462 PolarHBondContact O-N 3.38Å; T459-A462 VanDerWaalsContact O-N 3.15Å; T459-G463 PolarHBondContact O-N 2.78Å; T459-I464 CarbonylContact C-O 3.59Å; T459-I464 WeakPolarHBondContact CB-O 3.32Å; T459-I464 HydrophobicContact CG2-CB 4.2Å; T459-I464 HydrophobicContact CG2-CG2 4.05Å; T459-I464 PolarHBondContact O-N 3.4Å; T459-V469 HydrophobicContact CG2-CG2 3.53Å
460	K	96.4	Very high	94.9	Very high	166 Å²	166	37.5 Å²	37.5	72%	0.722	22%	0.219	S	C	*	.	H	α-helix	trans	-56.8	-46.7	170	-177.2	-178.2	178.3	-175.7	0	112.1	L456 F458 A462 G463	L456-K460 WeakPolarHBondContact O-CB 3.48Å; L456-K460 PolarHBondContact O-N 2.88Å; F458-K460 VanDerWaalsContact C-N 3.31Å; F458-K460 PolarHBondContact O-N 3.15Å; K460-A462 VanDerWaalsContact C-N 3.27Å; K460-A462 PolarHBondContact O-N 3Å; K460-G463 PolarHBondContact O-N 3.16Å
461	A	95.4	Very high	95	Very high	64 Å²	64	36.4 Å²	36.4	53%	0.529	21%	0.211	S	C	.	.	H	α-helix	trans	-68.5	-26.1	178.5	0	0	0	0	0	113.2	I340 E457 F458 T459	I340-A461 HydrophobicContact CG2-CB 3.84Å; E457-A461 PolarHBondContact O-N 2.94Å; F458-A461 CarbonylContact O-C 3.56Å; F458-A461 WeakPolarHBondContact O-CA 3.49Å; F458-A461 WeakPolarHBondContact O-CB 3.47Å; F458-A461 PolarHBondContact O-N 3.18Å; T459-A461 PolarHBondContact O-N 2.99Å
462	A	94.6	Very high	95.1	Very high	43 Å²	43	36.3 Å²	36.3	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-92.6	-6	179.9	0	0	0	0	0	114.1	F458 T459 K460 I464	F458-A462 HydrophobicContact CE1-CB 4.07Å; F458-A462 HydrophobicContact CE2-CB 4.26Å; F458-A462 HydrophobicContact CZ-CB 3.88Å; F458-A462 WeakPolarHBondContact O-CB 3.1Å; F458-A462 PolarHBondContact O-N 2.77Å; T459-A462 CarbonylContact O-C 3.44Å; T459-A462 PolarHBondContact O-N 3.38Å; T459-A462 VanDerWaalsContact O-N 3.15Å; K460-A462 VanDerWaalsContact C-N 3.27Å; K460-A462 PolarHBondContact O-N 3Å; A462-I464 VanDerWaalsContact C-N 3.28Å; A462-I464 HydrophobicContact CB-CD1 3.75Å; A462-I464 HydrophobicContact CB-CG1 3.9Å; A462-I464 PolarHBondContact O-N 2.84Å
463	G	91.9	Very high	95.1	Very high	63 Å²	63	34.9 Å²	34.9	65%	0.649	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	31.4	-173.1	0	0	0	0	0	113.1	T459 K460	T459-G463 PolarHBondContact O-N 2.78Å; K460-G463 PolarHBondContact O-N 3.16Å
464	I	92.3	Very high	95.2	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	20%	0.2	C	C	.	.			trans	-103.8	138.2	178.1	-63	173.8	0	0	0	108.2	K267 A268 F301 F458 T459 A462 E468 V469	K267-I464 HydrophobicContact CB-CD1 3.92Å; K267-I464 HydrophobicContact CB-CG1 4.1Å; K267-I464 HydrophobicContact CB-CG2 4.16Å; K267-I464 HydrophobicContact CD-CG1 4.23Å; A268-I464 HydrophobicContact CB-CD1 4.12Å; F301-I464 HydrophobicContact CD2-CD1 3.86Å; F301-I464 HydrophobicContact CE2-CD1 4.27Å; F458-I464 HydrophobicContact CE1-CD1 4.12Å; T459-I464 CarbonylContact C-O 3.59Å; T459-I464 WeakPolarHBondContact CB-O 3.32Å; T459-I464 HydrophobicContact CG2-CB 4.2Å; T459-I464 HydrophobicContact CG2-CG2 4.05Å; T459-I464 PolarHBondContact O-N 3.4Å; A462-I464 VanDerWaalsContact C-N 3.28Å; A462-I464 HydrophobicContact CB-CD1 3.75Å; A462-I464 HydrophobicContact CB-CG1 3.9Å; A462-I464 PolarHBondContact O-N 2.84Å; I464-E468 HydrophobicContact CG2-CB 3.86Å; I464-V469 HydrophobicContact CG2-CG2 4.06Å
465	T	88.2	Confident	95.1	Very high	62 Å²	62	37.9 Å²	37.9	38%	0.38	22%	0.219	S	C	.	.			trans	-88.7	152.5	174.9	57.8	0	0	0	0	111	E467 E468	T465-E467 PolarHBondContact O-N 3.27Å; T465-E467 VanDerWaalsContact O-N 3.15Å; T465-E468 PolarHBondContact N-OE2 3.48Å; T465-E468 WeakPolarHBondContact O-CB 3.35Å; T465-E468 PolarHBondContact O-N 2.84Å; T465-E468 VanDerWaalsContact OG1-CD 3.25Å; T465-E468 VanDerWaalsContact OG1-CG 3.27Å; T465-E468 WeakPolarHBondContact OG1-CG 3.34Å; T465-E468 PolarHBondContact OG1-OE2 3.18Å
466	P	90	Very high	94.9	Very high	35 Å²	35	44 Å²	44	23%	0.227	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.8	-32.3	175.8	-27.3	36.2	0	0	0	113.5	L456 E468 V469 V485 G486	L456-P466 HydrophobicContact CD2-CB 4.47Å; L456-P466 HydrophobicContact CD2-CG 3.74Å; P466-E468 PolarHBondContact O-N 3.3Å; P466-V469 WeakPolarHBondContact O-CB 3.39Å; P466-V469 PolarHBondContact O-N 3.42Å; P466-V469 VanDerWaalsContact O-N 3.12Å; P466-V485 CarbonylContact O-C 3.55Å; P466-V485 WeakPolarHBondContact O-CA 3.31Å; P466-G486 PolarHBondContact O-N 3.03Å
467	E	86.2	Confident	94.6	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-66.9	-19	177.3	-66.6	70	-155.9	0	0	113.6	T465 V469 G486	T465-E467 PolarHBondContact O-N 3.27Å; T465-E467 VanDerWaalsContact O-N 3.15Å; E467-V469 VanDerWaalsContact C-N 3.34Å; E467-G486 WeakPolarHBondContact O-CA 3.31Å
468	E	90.5	Very high	94.6	Very high	22 Å²	22	41.5 Å²	41.5	10%	0.103	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-96.2	12.5	176.1	-65.4	169.6	131.6	0	0	111.9	I266 K267 A268 I464 T465 P466	I266-E468 CarbonylContact C-O 3.55Å; I266-E468 WeakPolarHBondContact CA-O 3.46Å; K267-E468 HydrophobicContact CB-CB 4.29Å; K267-E468 HydrophobicContact CD-CB 4.38Å; K267-E468 HydrophobicContact CD-CG 4.46Å; K267-E468 WeakPolarHBondContact CE-OE1 3.25Å; K267-E468 HydrophobicContact CG-CB 4.33Å; K267-E468 PolarHBondContact N-O 3.43Å; K267-E468 IonicContact NZ-OE1 2.86Å; K267-E468 PolarHBondContact NZ-OE1 2.83Å; K267-E468 IonicContact NZ-OE2 3.74Å; A268-E468 PolarHBondContact N-O 3.16Å; I464-E468 HydrophobicContact CG2-CB 3.86Å; T465-E468 PolarHBondContact N-OE2 3.48Å; T465-E468 WeakPolarHBondContact O-CB 3.35Å; T465-E468 PolarHBondContact O-N 2.84Å; T465-E468 VanDerWaalsContact OG1-CD 3.25Å; T465-E468 VanDerWaalsContact OG1-CG 3.27Å; T465-E468 WeakPolarHBondContact OG1-CG 3.34Å; T465-E468 PolarHBondContact OG1-OE2 3.18Å; P466-E468 PolarHBondContact O-N 3.3Å
469	V	95.5	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.9	179.3	-177.7	0	0	0	0	111.1	A268 F270 I455 T459 I464 P466 E467 V471 V485 G486 I487	A268-V469 HydrophobicContact CB-CG2 4.44Å; A268-V469 WeakPolarHBondContact O-CA 3.32Å; F270-V469 HydrophobicContact CD2-CG1 3.81Å; F270-V469 HydrophobicContact CE2-CG1 4.22Å; I455-V469 HydrophobicContact CG2-CG1 4.14Å; T459-V469 HydrophobicContact CG2-CG2 3.53Å; I464-V469 HydrophobicContact CG2-CG2 4.06Å; P466-V469 WeakPolarHBondContact O-CB 3.39Å; P466-V469 PolarHBondContact O-N 3.42Å; P466-V469 VanDerWaalsContact O-N 3.12Å; E467-V469 VanDerWaalsContact C-N 3.34Å; V469-V471 HydrophobicContact CG1-CG1 3.84Å; V469-V485 HydrophobicContact CB-CB 4.03Å; V469-V485 HydrophobicContact CB-CG1 4.08Å; V469-V485 HydrophobicContact CG1-CB 4.21Å; V469-V485 HydrophobicContact CG1-CG1 3.98Å; V469-G486 WeakPolarHBondContact O-CA 3.4Å; V469-G486 PolarHBondContact O-N 3.35Å; V469-I487 PolarHBondContact O-N 2.99Å
470	M	96.6	Very high	94.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.3	166.7	-178	177.6	-169.3	0	0	109.5	I266 A268 I269 F270 F472 I487 V489 A517 F521 I523	I266-M470 HydrophobicContact CD1-CB 4.11Å; I266-M470 HydrophobicContact CG1-CB 4.21Å; I266-M470 HydrophobicContact CG2-CB 3.78Å; A268-M470 PolarHBondContact O-N 2.92Å; I269-M470 CarbonylContact C-O 3.45Å; I269-M470 VanDerWaalsContact CA-O 3.23Å; I269-M470 WeakPolarHBondContact CA-O 3.48Å; I269-M470 HydrophobicContact CG1-CB 4.23Å; I269-M470 HydrophobicContact CG2-CB 4.26Å; I269-M470 HydrophobicContact CG2-CG 4.34Å; F270-M470 PolarHBondContact N-O 2.63Å; M470-F472 HydrophobicContact CE-CE1 4.2Å; M470-F472 HydrophobicContact CE-CE2 3.53Å; M470-F472 HydrophobicContact CE-CZ 3.29Å; M470-F472 HydrophobicContact CG-CE2 3.98Å; M470-F472 HydrophobicContact SD-CE2 3.85Å; M470-F472 HydrophobicContact SD-CZ 4.16Å; M470-I487 CarbonylContact C-O 3.49Å; M470-I487 VanDerWaalsContact CA-O 3.27Å; M470-I487 WeakPolarHBondContact CA-O 3.14Å; M470-I487 HydrophobicContact CB-CB 4.27Å; M470-I487 HydrophobicContact CE-CG2 4.15Å; M470-I487 HydrophobicContact CG-CB 4.03Å; M470-I487 HydrophobicContact CG-CG2 4.1Å; M470-V489 HydrophobicContact CE-CG2 3.39Å; M470-A517 HydrophobicContact CE-CB 4.35Å; M470-F521 HydrophobicContact CE-CD2 3.54Å; M470-F521 HydrophobicContact CE-CE2 3.95Å; M470-F521 HydrophobicContact CE-CG 4.39Å; M470-I523 HydrophobicContact SD-CG1 4.23Å
471	V	98.5	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.6	175.8	-52.5	0	0	0	0	112.4	F270 I455 V469 M481 I482 V485 I487 V489	F270-V471 HydrophobicContact CB-CG1 4.16Å; F270-V471 CarbonylContact O-C 3.59Å; F270-V471 WeakPolarHBondContact O-CA 3.5Å; I455-V471 HydrophobicContact CD1-CG1 4.03Å; V469-V471 HydrophobicContact CG1-CG1 3.84Å; V471-M481 HydrophobicContact CB-CE 4.32Å; V471-M481 HydrophobicContact CB-CG 4.26Å; V471-M481 HydrophobicContact CB-SD 4.17Å; V471-M481 HydrophobicContact CG1-CB 4.36Å; V471-M481 HydrophobicContact CG1-CG 4.47Å; V471-M481 HydrophobicContact CG1-SD 4.35Å; V471-M481 HydrophobicContact CG2-CB 4.25Å; V471-M481 HydrophobicContact CG2-CG 3.92Å; V471-M481 HydrophobicContact CG2-SD 4.45Å; V471-I482 HydrophobicContact CG2-CB 4.44Å; V471-I482 HydrophobicContact CG2-CG1 3.87Å; V471-V485 HydrophobicContact CB-CG2 4.27Å; V471-V485 HydrophobicContact CG1-CB 4.38Å; V471-V485 HydrophobicContact CG1-CG1 4.03Å; V471-V485 HydrophobicContact CG1-CG2 3.8Å; V471-V485 HydrophobicContact CG2-CG2 3.63Å; V471-I487 PolarHBondContact N-O 2.99Å; V471-V489 WeakPolarHBondContact O-CB 3.39Å; V471-V489 PolarHBondContact O-N 3.2Å
472	F	98.7	Very high	94.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.9	174.3	-68.6	-100.9	0	0	0	110.2	I269 F270 F271 D272 T276 M470 M481 V489 M491 I514 A517 M518	I269-F472 HydrophobicContact CG2-CD2 3.94Å; I269-F472 HydrophobicContact CG2-CE2 3.75Å; F270-F472 PolarHBondContact O-N 2.76Å; F271-F472 HydrophobicContact CD1-CB 3.92Å; F271-F472 AromaticContact CD1-CD2 3.39Å; F271-F472 HydrophobicContact CD1-CD2 3.39Å; F271-F472 HydrophobicContact CD1-CE2 4.05Å; F271-F472 AromaticContact CD1-CG 3.78Å; F271-F472 HydrophobicContact CD1-CG 3.78Å; F271-F472 AromaticContact CE1-CD2 3.4Å; F271-F472 HydrophobicContact CE1-CD2 3.4Å; F271-F472 VanDerWaalsContact CE1-CD2 3.4Å; F271-F472 AromaticContact CE1-CE2 3.56Å; F271-F472 HydrophobicContact CE1-CE2 3.56Å; F271-F472 HydrophobicContact CE1-CG 4.14Å; F271-F472 HydrophobicContact CE1-CZ 4.37Å; F271-F472 HydrophobicContact CG-CD2 4.49Å; F271-F472 HydrophobicContact CZ-CE2 4.5Å; D272-F472 PolarHBondContact N-O 3.45Å; T276-F472 HydrophobicContact CG2-CB 3.62Å; M470-F472 HydrophobicContact CE-CE1 4.2Å; M470-F472 HydrophobicContact CE-CE2 3.53Å; M470-F472 HydrophobicContact CE-CZ 3.29Å; M470-F472 HydrophobicContact CG-CE2 3.98Å; M470-F472 HydrophobicContact SD-CE2 3.85Å; M470-F472 HydrophobicContact SD-CZ 4.16Å; F472-M481 VanDerWaalsContact O-CE 3.31Å; F472-M481 WeakPolarHBondContact O-CE 3.45Å; F472-V489 WeakPolarHBondContact CA-O 3.34Å; F472-V489 HydrophobicContact CD1-CB 3.73Å; F472-V489 HydrophobicContact CD1-CG1 3.67Å; F472-V489 HydrophobicContact CD1-CG2 4.48Å; F472-V489 HydrophobicContact CE1-CB 3.84Å; F472-V489 HydrophobicContact CE1-CG1 3.64Å; F472-V489 HydrophobicContact CE1-CG2 4.16Å; F472-V489 HydrophobicContact CG-CB 4.24Å; F472-V489 HydrophobicContact CZ-CB 4.43Å; F472-V489 HydrophobicContact CZ-CG2 4.33Å; F472-M491 HydrophobicContact CB-SD 4.44Å; F472-M491 HydrophobicContact CD1-SD 3.84Å; F472-I514 HydrophobicContact CD1-CG1 4.03Å; F472-I514 HydrophobicContact CE1-CB 4.44Å; F472-I514 HydrophobicContact CE1-CG1 4.18Å; F472-I514 HydrophobicContact CG-CG1 4.45Å; F472-I514 HydrophobicContact CZ-CG2 4.44Å; F472-A517 HydrophobicContact CE1-CB 3.48Å; F472-A517 VanDerWaalsContact CE1-CB 3.48Å; F472-A517 HydrophobicContact CZ-CB 3.75Å; F472-M518 HydrophobicContact CE2-CG 4.31Å; F472-M518 HydrophobicContact CZ-CG 3.91Å
473	G	98.3	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	174.7	174.9	0	0	0	0	0	112.9	T276 D478 V489 A490 M491	T276-G473 WeakPolarHBondContact OG1-CA 3.48Å; G473-D478 WeakPolarHBondContact CA-OD2 3.38Å; G473-V489 PolarHBondContact N-O 3.24Å; G473-V489 VanDerWaalsContact N-O 3.11Å; G473-A490 WeakPolarHBondContact O-CA 3.22Å; G473-M491 PolarHBondContact O-N 2.94Å
474	D	98.1	Very high	94.7	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.102	20%	0.195	C	C	.	.			trans	-142.1	-10.2	-172.8	68.8	-81	0	0	0	114	T276 D478 M491 G494 L495	T276-D474 PolarHBondContact OG1-OD1 3.3Å; D474-D478 PolarHBondContact N-OD2 3.27Å; D474-M491 HydrophobicContact CB-CB 4.05Å; D474-M491 HydrophobicContact CB-CG 4.31Å; D474-G494 WeakPolarHBondContact O-CA 3.34Å; D474-L495 PolarHBondContact O-N 3.13Å
475	H	95.9	Very high	94.7	Very high	89 Å²	89	41.2 Å²	41.2	41%	0.412	20%	0.196	S	C	.	.	S	Bend	trans	-127.6	170.3	-170.4	-157.8	-89.6	0	0	0	113.6	N477 D478 V498	H475-N477 PolarHBondContact O-N 3.05Å; H475-N477 VanDerWaalsContact O-N 3.1Å; H475-D478 PolarHBondContact N-OD2 2.97Å; H475-D478 VanDerWaalsContact O-CB 3.27Å; H475-D478 WeakPolarHBondContact O-CB 3.23Å; H475-D478 PolarHBondContact O-N 2.75Å; H475-V498 WeakPolarHBondContact O-CG2 3.45Å
476	Y	94.2	Very high	94.7	Very high	128 Å²	128	39.6 Å²	39.6	50%	0.502	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.6	-175	-71.6	-66.1	0	0	0	115.2	D478 I479 L495 E497	Y476-D478 PolarHBondContact O-N 2.96Å; Y476-I479 HydrophobicContact CD1-CD1 3.87Å; Y476-I479 PolarHBondContact O-N 3.27Å; Y476-L495 HydrophobicContact CD1-CD1 4.29Å; Y476-L495 HydrophobicContact CD2-CD1 3.58Å; Y476-L495 HydrophobicContact CE1-CD1 4.11Å; Y476-L495 HydrophobicContact CE2-CD1 3.36Å; Y476-L495 HydrophobicContact CG-CD1 4.05Å; Y476-E497 HydrophobicContact CE1-CB 4.33Å; Y476-E497 HydrophobicContact CE1-CG 4.45Å
477	N	92.3	Very high	94.8	Very high	48 Å²	48	38 Å²	38	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5	178.6	56.7	-24.8	0	0	0	113.6	K451 H475	K451-N477 WeakPolarHBondContact CE-ND2 3.16Å; H475-N477 PolarHBondContact O-N 3.05Å; H475-N477 VanDerWaalsContact O-N 3.1Å
478	D	97.5	Very high	95.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-22.4	174.8	-56.3	-42.1	0	0	0	112.9	K451 G473 D474 H475 Y476 E480 M481 I482	K451-D478 VanDerWaalsContact CD-OD1 3.3Å; K451-D478 WeakPolarHBondContact CD-OD1 3.17Å; K451-D478 WeakPolarHBondContact CE-OD1 3.46Å; K451-D478 IonicContact NZ-OD1 3.64Å; K451-D478 PolarHBondContact NZ-OD1 3.28Å; G473-D478 WeakPolarHBondContact CA-OD2 3.38Å; D474-D478 PolarHBondContact N-OD2 3.27Å; H475-D478 PolarHBondContact N-OD2 2.97Å; H475-D478 VanDerWaalsContact O-CB 3.27Å; H475-D478 WeakPolarHBondContact O-CB 3.23Å; H475-D478 PolarHBondContact O-N 2.75Å; Y476-D478 PolarHBondContact O-N 2.96Å; D478-E480 PolarHBondContact O-N 2.76Å; D478-E480 VanDerWaalsContact O-N 3.12Å; D478-M481 HydrophobicContact CB-CE 3.76Å; D478-M481 WeakPolarHBondContact O-CG 3.28Å; D478-M481 PolarHBondContact O-N 3.14Å; D478-M481 VanDerWaalsContact OD1-CE 3.23Å; D478-M481 WeakPolarHBondContact OD1-CE 3.36Å; D478-I482 HydrophobicContact CB-CD1 3.85Å; D478-I482 HydrophobicContact CB-CG1 4.46Å; D478-I482 WeakPolarHBondContact O-CB 3.39Å; D478-I482 WeakPolarHBondContact O-CG1 3.25Å; D478-I482 PolarHBondContact O-N 3.22Å
479	I	97.2	Very high	95.6	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.205	15%	0.152	C	C	.	.	H	α-helix	trans	-50.7	-43.6	-177	-67	178.9	0	0	0	111.4	Y476 I482 K483 V498 Q501	Y476-I479 HydrophobicContact CD1-CD1 3.87Å; Y476-I479 PolarHBondContact O-N 3.27Å; I479-I482 PolarHBondContact O-N 3.22Å; I479-K483 VanDerWaalsContact O-CB 3.32Å; I479-K483 WeakPolarHBondContact O-CB 3.4Å; I479-K483 PolarHBondContact O-N 2.83Å; I479-V498 HydrophobicContact CD1-CG2 4.08Å; I479-V498 HydrophobicContact CG1-CB 4.4Å; I479-V498 HydrophobicContact CG1-CG2 3.73Å; I479-Q501 HydrophobicContact CG2-CB 4.39Å; I479-Q501 HydrophobicContact CG2-CG 4.03Å
480	E	96.5	Very high	95.7	Very high	69 Å²	69	31.9 Å²	31.9	32%	0.322	15%	0.152	S	C	.	.	H	α-helix	trans	-63.7	-44.6	-178.5	-172.2	178.1	-154.3	0	0	112.3	S450 Y452 D478 K484	S450-E480 WeakPolarHBondContact CB-OE2 3.47Å; S450-E480 PolarHBondContact OG-OE2 3.33Å; Y452-E480 HydrophobicContact CD1-CG 3.96Å; Y452-E480 HydrophobicContact CG-CG 4.04Å; D478-E480 PolarHBondContact O-N 2.76Å; D478-E480 VanDerWaalsContact O-N 3.12Å; E480-K484 HydrophobicContact CG-CD 3.91Å; E480-K484 WeakPolarHBondContact O-CB 3.46Å; E480-K484 WeakPolarHBondContact O-CG 3.42Å; E480-K484 PolarHBondContact O-N 2.91Å; E480-K484 IonicContact OE1-NZ 3.5Å; E480-K484 PolarHBondContact OE1-NZ 3.18Å
481	M	97.5	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-72.1	-38.6	179.2	64	177.5	-167.9	0	0	111.3	A305 K451 Y452 I455 V471 F472 D478 K483 K484 V485	A305-M481 HydrophobicContact CB-SD 4.18Å; K451-M481 HydrophobicContact CB-SD 3.98Å; K451-M481 HydrophobicContact CD-CE 4.32Å; K451-M481 HydrophobicContact CD-SD 4.2Å; Y452-M481 HydrophobicContact CD2-CB 4.25Å; I455-M481 HydrophobicContact CD1-CB 3.99Å; I455-M481 HydrophobicContact CD1-SD 3.74Å; V471-M481 HydrophobicContact CB-CE 4.32Å; V471-M481 HydrophobicContact CB-CG 4.26Å; V471-M481 HydrophobicContact CB-SD 4.17Å; V471-M481 HydrophobicContact CG1-CB 4.36Å; V471-M481 HydrophobicContact CG1-CG 4.47Å; V471-M481 HydrophobicContact CG1-SD 4.35Å; V471-M481 HydrophobicContact CG2-CB 4.25Å; V471-M481 HydrophobicContact CG2-CG 3.92Å; V471-M481 HydrophobicContact CG2-SD 4.45Å; F472-M481 VanDerWaalsContact O-CE 3.31Å; F472-M481 WeakPolarHBondContact O-CE 3.45Å; D478-M481 HydrophobicContact CB-CE 3.76Å; D478-M481 WeakPolarHBondContact O-CG 3.28Å; D478-M481 PolarHBondContact O-N 3.14Å; D478-M481 VanDerWaalsContact OD1-CE 3.23Å; D478-M481 WeakPolarHBondContact OD1-CE 3.36Å; M481-K483 VanDerWaalsContact C-N 3.3Å; M481-K483 PolarHBondContact O-N 2.74Å; M481-K484 PolarHBondContact O-N 3.4Å; M481-V485 WeakPolarHBondContact O-CG1 3.38Å; M481-V485 WeakPolarHBondContact O-CG2 3.35Å; M481-V485 PolarHBondContact O-N 3.29Å
482	I	97.7	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-42.3	177.6	-75	170.4	0	0	0	111	V471 D478 I479 G488 V498 A502	V471-I482 HydrophobicContact CG2-CB 4.44Å; V471-I482 HydrophobicContact CG2-CG1 3.87Å; D478-I482 HydrophobicContact CB-CD1 3.85Å; D478-I482 HydrophobicContact CB-CG1 4.46Å; D478-I482 WeakPolarHBondContact O-CB 3.39Å; D478-I482 WeakPolarHBondContact O-CG1 3.25Å; D478-I482 PolarHBondContact O-N 3.22Å; I479-I482 PolarHBondContact O-N 3.22Å; I482-G488 WeakPolarHBondContact O-CA 3.44Å; I482-V498 HydrophobicContact CD1-CG1 3.46Å; I482-V498 VanDerWaalsContact CD1-CG1 3.46Å; I482-A502 VanDerWaalsContact CG2-CA 3.5Å; I482-A502 HydrophobicContact CG2-CB 3.76Å
483	K	94.4	Very high	95.8	Very high	134 Å²	134	35.9 Å²	35.9	58%	0.583	18%	0.179	S	C	*	.	H	α-helix	trans	-76.6	-24.4	-176	-176	169.3	-176.1	160.1	0	114.7	I479 M481	I479-K483 VanDerWaalsContact O-CB 3.32Å; I479-K483 WeakPolarHBondContact O-CB 3.4Å; I479-K483 PolarHBondContact O-N 2.83Å; M481-K483 VanDerWaalsContact C-N 3.3Å; M481-K483 PolarHBondContact O-N 2.74Å
484	K	92.8	Very high	95.7	Very high	98 Å²	98	36.2 Å²	36.2	43%	0.426	18%	0.182	S	C	.	.	H	α-helix	trans	-117.1	7.5	-163.1	-64.4	-176.5	178.1	176.1	0	114.9	Y452 E480 M481	Y452-K484 HydrophobicContact CD1-CD 3.81Å; Y452-K484 HydrophobicContact CD2-CB 4.08Å; Y452-K484 HydrophobicContact CE1-CB 4.03Å; Y452-K484 HydrophobicContact CE1-CD 3.42Å; Y452-K484 VanDerWaalsContact CE1-CD 3.42Å; Y452-K484 HydrophobicContact CE1-CG 4.42Å; Y452-K484 HydrophobicContact CE2-CB 3.47Å; Y452-K484 VanDerWaalsContact CE2-CB 3.47Å; Y452-K484 HydrophobicContact CE2-CD 4.37Å; Y452-K484 HydrophobicContact CG-CD 4.43Å; Y452-K484 VanDerWaalsContact CZ-CB 3.43Å; Y452-K484 PolarHBondContact OH-O 2.9Å; E480-K484 HydrophobicContact CG-CD 3.91Å; E480-K484 WeakPolarHBondContact O-CB 3.46Å; E480-K484 WeakPolarHBondContact O-CG 3.42Å; E480-K484 PolarHBondContact O-N 2.91Å; E480-K484 IonicContact OE1-NZ 3.5Å; E480-K484 PolarHBondContact OE1-NZ 3.18Å; M481-K484 PolarHBondContact O-N 3.4Å
485	V	92.2	Very high	95.7	Very high	15 Å²	15	38 Å²	38	9%	0.091	19%	0.191	C	C	.	.	S	Bend	trans	-111.5	175.2	174.8	-62.7	0	0	0	0	110.7	Y452 P466 V469 V471 M481 I487	Y452-V485 HydrophobicContact CD2-CG1 4.23Å; Y452-V485 HydrophobicContact CE2-CG1 4.02Å; P466-V485 CarbonylContact O-C 3.55Å; P466-V485 WeakPolarHBondContact O-CA 3.31Å; V469-V485 HydrophobicContact CB-CB 4.03Å; V469-V485 HydrophobicContact CB-CG1 4.08Å; V469-V485 HydrophobicContact CG1-CB 4.21Å; V469-V485 HydrophobicContact CG1-CG1 3.98Å; V471-V485 HydrophobicContact CB-CG2 4.27Å; V471-V485 HydrophobicContact CG1-CB 4.38Å; V471-V485 HydrophobicContact CG1-CG1 4.03Å; V471-V485 HydrophobicContact CG1-CG2 3.8Å; V471-V485 HydrophobicContact CG2-CG2 3.63Å; M481-V485 WeakPolarHBondContact O-CG1 3.38Å; M481-V485 WeakPolarHBondContact O-CG2 3.35Å; M481-V485 PolarHBondContact O-N 3.29Å; V485-I487 PolarHBondContact O-N 3.41Å
486	G	87.6	Confident	95.8	Very high	27 Å²	27	39 Å²	39	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	-60.5	-40.9	-178.9	0	0	0	0	0	114.2	P466 E467 V469	P466-G486 PolarHBondContact O-N 3.03Å; E467-G486 WeakPolarHBondContact O-CA 3.31Å; V469-G486 WeakPolarHBondContact O-CA 3.4Å; V469-G486 PolarHBondContact O-N 3.35Å
487	I	92.3	Very high	95.9	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	108.1	176	-58.4	177.5	0	0	0	110.3	R263 I266 V469 M470 V471 V485 V489 D503 F521	R263-I487 HydrophobicContact CB-CD1 4.32Å; R263-I487 HydrophobicContact CG-CD1 4.25Å; I266-I487 HydrophobicContact CD1-CD1 3.95Å; I266-I487 HydrophobicContact CD1-CG1 4.13Å; I266-I487 HydrophobicContact CG1-CD1 4.08Å; V469-I487 PolarHBondContact O-N 2.99Å; M470-I487 CarbonylContact C-O 3.49Å; M470-I487 VanDerWaalsContact CA-O 3.27Å; M470-I487 WeakPolarHBondContact CA-O 3.14Å; M470-I487 HydrophobicContact CB-CB 4.27Å; M470-I487 HydrophobicContact CE-CG2 4.15Å; M470-I487 HydrophobicContact CG-CB 4.03Å; M470-I487 HydrophobicContact CG-CG2 4.1Å; V471-I487 PolarHBondContact N-O 2.99Å; V485-I487 PolarHBondContact O-N 3.41Å; I487-V489 HydrophobicContact CG2-CG2 3.96Å; I487-D503 HydrophobicContact CG2-CB 4.45Å; I487-F521 HydrophobicContact CD1-CD1 3.74Å; I487-F521 HydrophobicContact CD1-CE1 3.99Å; I487-F521 HydrophobicContact CD1-CG 4.2Å; I487-F521 HydrophobicContact CG2-CD1 4.38Å; I487-F521 HydrophobicContact CG2-CD2 4.27Å; I487-F521 HydrophobicContact CG2-CE1 3.86Å; I487-F521 HydrophobicContact CG2-CE2 3.76Å; I487-F521 HydrophobicContact CG2-CZ 3.52Å
488	G	96.1	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.9	170.2	0	0	0	0	0	112.6	I482 D503 Y504	I482-G488 WeakPolarHBondContact O-CA 3.44Å; G488-D503 PolarHBondContact N-OD2 3.47Å; G488-D503 WeakPolarHBondContact O-CB 3.47Å; G488-D503 PolarHBondContact O-N 3.05Å; G488-Y504 PolarHBondContact O-N 2.93Å
489	V	97.8	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	176.7	-176.9	0	0	0	0	111	M470 V471 F472 G473 I487 Y504 T506 A517 F521	M470-V489 HydrophobicContact CE-CG2 3.39Å; V471-V489 WeakPolarHBondContact O-CB 3.39Å; V471-V489 PolarHBondContact O-N 3.2Å; F472-V489 WeakPolarHBondContact CA-O 3.34Å; F472-V489 HydrophobicContact CD1-CB 3.73Å; F472-V489 HydrophobicContact CD1-CG1 3.67Å; F472-V489 HydrophobicContact CD1-CG2 4.48Å; F472-V489 HydrophobicContact CE1-CB 3.84Å; F472-V489 HydrophobicContact CE1-CG1 3.64Å; F472-V489 HydrophobicContact CE1-CG2 4.16Å; F472-V489 HydrophobicContact CG-CB 4.24Å; F472-V489 HydrophobicContact CZ-CB 4.43Å; F472-V489 HydrophobicContact CZ-CG2 4.33Å; G473-V489 PolarHBondContact N-O 3.24Å; G473-V489 VanDerWaalsContact N-O 3.11Å; I487-V489 HydrophobicContact CG2-CG2 3.96Å; V489-Y504 WeakPolarHBondContact CA-O 3.41Å; V489-Y504 HydrophobicContact CG1-CD1 4.15Å; V489-T506 HydrophobicContact CG1-CG2 3.64Å; V489-A517 HydrophobicContact CG1-CB 4.13Å; V489-F521 HydrophobicContact CG2-CE2 3.9Å
490	A	98.6	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.6	168.4	0	0	0	0	0	110.3	G473 V498 K499 A502 Y504 V505 T506	G473-A490 WeakPolarHBondContact O-CA 3.22Å; A490-V498 HydrophobicContact CB-CG1 4.09Å; A490-K499 HydrophobicContact CB-CB 4.35Å; A490-K499 HydrophobicContact CB-CG 3.91Å; A490-A502 HydrophobicContact CB-CB 3.57Å; A490-Y504 PolarHBondContact N-O 3.04Å; A490-V505 HydrophobicContact CB-CG2 4.39Å; A490-V505 WeakPolarHBondContact O-CA 3.25Å; A490-T506 PolarHBondContact O-N 3.42Å
491	M	98.7	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.			trans	-69.9	148	172.5	-58.8	-57.2	-65.5	0	0	110.9	T276 F472 G473 D474 N493 G494 T506 N509 I514	T276-M491 HydrophobicContact CG2-CG 4.02Å; T276-M491 HydrophobicContact CG2-SD 4.09Å; T276-M491 WeakPolarHBondContact OG1-CG 3.49Å; F472-M491 HydrophobicContact CB-SD 4.44Å; F472-M491 HydrophobicContact CD1-SD 3.84Å; G473-M491 PolarHBondContact O-N 2.94Å; D474-M491 HydrophobicContact CB-CB 4.05Å; D474-M491 HydrophobicContact CB-CG 4.31Å; M491-N493 WeakPolarHBondContact CB-OD1 3.25Å; M491-N493 PolarHBondContact O-N 3.03Å; M491-N493 VanDerWaalsContact O-N 3.15Å; M491-G494 PolarHBondContact O-N 3.3Å; M491-T506 HydrophobicContact CE-CG2 4.22Å; M491-T506 HydrophobicContact SD-CG2 3.81Å; M491-N509 HydrophobicContact CE-CB 4.19Å; M491-I514 HydrophobicContact CE-CG1 4.26Å; M491-I514 HydrophobicContact SD-CG1 4.37Å
492	G	98	Very high	95.9	Very high	22 Å²	22	43.6 Å²	43.6	23%	0.227	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.3	-178.4	0	0	0	0	0	113.9	G494 K499 T506 A507	G492-G494 VanDerWaalsContact C-N 3.33Å; G492-K499 WeakPolarHBondContact O-CE 3.16Å; G492-K499 PolarHBondContact O-NZ 3.28Å; G492-T506 WeakPolarHBondContact CA-O 3.47Å; G492-T506 PolarHBondContact N-O 3.07Å; G492-A507 PolarHBondContact N-O 3.49Å
493	N	98.1	Very high	95.5	Very high	63 Å²	63	46.5 Å²	46.5	34%	0.337	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.4	175.3	58.2	-76.9	0	0	0	113.6	G275 M491 T508 N509	G275-N493 PolarHBondContact O-ND2 3.14Å; G275-N493 PolarHBondContact O-OD1 3.12Å; M491-N493 WeakPolarHBondContact CB-OD1 3.25Å; M491-N493 PolarHBondContact O-N 3.03Å; M491-N493 VanDerWaalsContact O-N 3.15Å; N493-T508 HydrophobicContact CB-CG2 3.93Å; N493-T508 VanDerWaalsContact OD1-CA 3.29Å; N493-T508 WeakPolarHBondContact OD1-CA 3.45Å; N493-T508 WeakPolarHBondContact OD1-CB 3.39Å; N493-N509 VanDerWaalsContact CG-OD1 3.26Å; N493-N509 PolarHBondContact OD1-N 3.34Å; N493-N509 PolarHBondContact OD1-OD1 3.4Å; N493-N509 VanDerWaalsContact OD1-OD1 3.09Å
494	G	97.3	Very high	95.3	Very high	7 Å²	7	42.8 Å²	42.8	7%	0.072	23%	0.225	C	C	.	.	S	Bend	trans	-75.1	166.7	178	0	0	0	0	0	113.9	D474 M491 G492 K499	D474-G494 WeakPolarHBondContact O-CA 3.34Å; M491-G494 PolarHBondContact O-N 3.3Å; G492-G494 VanDerWaalsContact C-N 3.33Å; G494-K499 WeakPolarHBondContact O-CE 3.45Å; G494-K499 PolarHBondContact O-NZ 2.78Å
495	L	97.2	Very high	95.5	Very high	56 Å²	56	41.2 Å²	41.2	29%	0.293	22%	0.223	S	C	.	.			trans	-63.4	150.9	177.5	-57.4	174.1	0	0	0	111.4	D474 Y476 E497 V498 K499	D474-L495 PolarHBondContact O-N 3.13Å; Y476-L495 HydrophobicContact CD1-CD1 4.29Å; Y476-L495 HydrophobicContact CD2-CD1 3.58Å; Y476-L495 HydrophobicContact CE1-CD1 4.11Å; Y476-L495 HydrophobicContact CE2-CD1 3.36Å; Y476-L495 HydrophobicContact CG-CD1 4.05Å; L495-E497 VanDerWaalsContact C-N 3.29Å; L495-E497 PolarHBondContact O-N 2.84Å; L495-V498 HydrophobicContact CB-CB 4.47Å; L495-V498 HydrophobicContact CB-CG2 3.98Å; L495-V498 WeakPolarHBondContact O-CB 3.27Å; L495-V498 PolarHBondContact O-N 2.71Å; L495-K499 WeakPolarHBondContact O-CG 3.4Å; L495-K499 PolarHBondContact O-N 3.45Å; L495-K499 VanDerWaalsContact O-N 3.07Å
496	D	98	Very high	95.8	Very high	109 Å²	109	40.9 Å²	40.9	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-64.2	-37.8	-179.5	-68	-26.3	0	0	0	111.1	V498 K499 E500	D496-V498 PolarHBondContact O-N 3.28Å; D496-K499 WeakPolarHBondContact O-CB 3.4Å; D496-K499 PolarHBondContact O-N 2.98Å; D496-K499 VanDerWaalsContact O-N 3.14Å; D496-K499 IonicContact OD1-NZ 2.99Å; D496-E500 WeakPolarHBondContact O-CG 3.33Å; D496-E500 PolarHBondContact O-N 2.96Å
497	E	97	Very high	96.3	Very high	88 Å²	88	40.8 Å²	40.8	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-27.9	174.7	-61	87.8	163.2	0	0	112.8	Y476 L495 Q501	Y476-E497 HydrophobicContact CE1-CB 4.33Å; Y476-E497 HydrophobicContact CE1-CG 4.45Å; L495-E497 VanDerWaalsContact C-N 3.29Å; L495-E497 PolarHBondContact O-N 2.84Å; E497-Q501 WeakPolarHBondContact O-CG 3.49Å
498	V	97	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-78	-43.9	175.8	179.4	0	0	0	0	110.1	H475 I479 I482 A490 L495 D496 E500 Q501 A502	H475-V498 WeakPolarHBondContact O-CG2 3.45Å; I479-V498 HydrophobicContact CD1-CG2 4.08Å; I479-V498 HydrophobicContact CG1-CB 4.4Å; I479-V498 HydrophobicContact CG1-CG2 3.73Å; I482-V498 HydrophobicContact CD1-CG1 3.46Å; I482-V498 VanDerWaalsContact CD1-CG1 3.46Å; A490-V498 HydrophobicContact CB-CG1 4.09Å; L495-V498 HydrophobicContact CB-CB 4.47Å; L495-V498 HydrophobicContact CB-CG2 3.98Å; L495-V498 WeakPolarHBondContact O-CB 3.27Å; L495-V498 PolarHBondContact O-N 2.71Å; D496-V498 PolarHBondContact O-N 3.28Å; V498-E500 VanDerWaalsContact C-N 3.33Å; V498-E500 PolarHBondContact O-N 2.8Å; V498-Q501 PolarHBondContact O-N 3.34Å; V498-A502 PolarHBondContact O-N 3.19Å
499	K	98.2	Very high	96.6	Very high	51 Å²	51	43.1 Å²	43.1	22%	0.222	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-40.6	177.7	-69.9	168.4	177.5	153	0	112.4	A490 G492 G494 L495 D496 Q501 A502 V505	A490-K499 HydrophobicContact CB-CB 4.35Å; A490-K499 HydrophobicContact CB-CG 3.91Å; G492-K499 WeakPolarHBondContact O-CE 3.16Å; G492-K499 PolarHBondContact O-NZ 3.28Å; G494-K499 WeakPolarHBondContact O-CE 3.45Å; G494-K499 PolarHBondContact O-NZ 2.78Å; L495-K499 WeakPolarHBondContact O-CG 3.4Å; L495-K499 PolarHBondContact O-N 3.45Å; L495-K499 VanDerWaalsContact O-N 3.07Å; D496-K499 WeakPolarHBondContact O-CB 3.4Å; D496-K499 PolarHBondContact O-N 2.98Å; D496-K499 VanDerWaalsContact O-N 3.14Å; D496-K499 IonicContact OD1-NZ 2.99Å; K499-Q501 PolarHBondContact O-N 3.48Å; K499-A502 PolarHBondContact O-N 3.32Å; K499-V505 HydrophobicContact CB-CG2 3.77Å; K499-V505 HydrophobicContact CD-CG1 4.15Å; K499-V505 HydrophobicContact CG-CG1 3.94Å; K499-V505 HydrophobicContact CG-CG2 3.93Å
500	E	96.4	Very high	96.6	Very high	149 Å²	149	46.6 Å²	46.6	70%	0.696	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	178.1	-76.3	178.4	-178.5	0	0	113.6	D496 V498	D496-E500 WeakPolarHBondContact O-CG 3.33Å; D496-E500 PolarHBondContact O-N 2.96Å; V498-E500 VanDerWaalsContact C-N 3.33Å; V498-E500 PolarHBondContact O-N 2.8Å
501	Q	95.3	Very high	96.5	Very high	72 Å²	72	51.2 Å²	51.2	34%	0.336	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.2	-180	-55.7	-61.3	-56.7	0	0	113	I479 E497 V498 K499	I479-Q501 HydrophobicContact CG2-CB 4.39Å; I479-Q501 HydrophobicContact CG2-CG 4.03Å; E497-Q501 WeakPolarHBondContact O-CG 3.49Å; V498-Q501 PolarHBondContact O-N 3.34Å; K499-Q501 PolarHBondContact O-N 3.48Å
502	A	93.9	Very high	96.5	Very high	22 Å²	22	54.4 Å²	54.4	18%	0.182	29%	0.289	C	S	.	.			trans	-88.3	150	-174.2	0	0	0	0	0	113.5	I482 A490 V498 K499 Y504	I482-A502 VanDerWaalsContact CG2-CA 3.5Å; I482-A502 HydrophobicContact CG2-CB 3.76Å; A490-A502 HydrophobicContact CB-CB 3.57Å; V498-A502 PolarHBondContact O-N 3.19Å; K499-A502 PolarHBondContact O-N 3.32Å; A502-Y504 PolarHBondContact O-N 3.35Å
503	D	88	Confident	96.5	Very high	61 Å²	61	53.4 Å²	53.4	33%	0.326	28%	0.279	S	S	.	.	S	Bend	trans	-69.6	-25.6	171.4	-79.6	-66.5	0	0	0	113.5	K259 I487 G488	K259-D503 PolarHBondContact NZ-O 3.39Å; K259-D503 VanDerWaalsContact NZ-O 3.14Å; K259-D503 IonicContact NZ-OD1 3.17Å; K259-D503 PolarHBondContact NZ-OD1 3.28Å; I487-D503 HydrophobicContact CG2-CB 4.45Å; G488-D503 PolarHBondContact N-OD2 3.47Å; G488-D503 WeakPolarHBondContact O-CB 3.47Å; G488-D503 PolarHBondContact O-N 3.05Å
504	Y	91.7	Very high	96.5	Very high	57 Å²	57	50.4 Å²	50.4	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	137.8	-177.8	-179	-109.9	0	0	0	110.2	G488 V489 A490 A502 A517 Y520 F521	G488-Y504 PolarHBondContact O-N 2.93Å; V489-Y504 WeakPolarHBondContact CA-O 3.41Å; V489-Y504 HydrophobicContact CG1-CD1 4.15Å; A490-Y504 PolarHBondContact N-O 3.04Å; A502-Y504 PolarHBondContact O-N 3.35Å; Y504-A517 HydrophobicContact CD1-CB 4.22Å; Y504-A517 HydrophobicContact CE1-CB 4.04Å; Y504-Y520 HydrophobicContact CD2-CD1 4.15Å; Y504-Y520 AromaticContact CD2-CE1 3.89Å; Y504-Y520 HydrophobicContact CD2-CE1 3.89Å; Y504-Y520 HydrophobicContact CE1-CD1 4.39Å; Y504-Y520 HydrophobicContact CE1-CG 4.5Å; Y504-Y520 HydrophobicContact CE2-CD1 4.01Å; Y504-Y520 HydrophobicContact CE2-CD2 4.27Å; Y504-Y520 AromaticContact CE2-CE1 3.98Å; Y504-Y520 HydrophobicContact CE2-CE1 3.98Å; Y504-Y520 HydrophobicContact CE2-CE2 4.23Å; Y504-Y520 HydrophobicContact CE2-CG 4.17Å; Y504-Y520 HydrophobicContact CG-CD1 4.42Å; Y504-Y520 HydrophobicContact CG-CE1 4.42Å; Y504-F521 AromaticContact CD1-CE2 3.78Å; Y504-F521 HydrophobicContact CD1-CE2 3.78Å; Y504-F521 HydrophobicContact CD1-CZ 4.35Å; Y504-F521 AromaticContact CG-CE2 3.9Å; Y504-F521 HydrophobicContact CG-CE2 3.9Å; Y504-F521 AromaticContact CG-CZ 3.99Å; Y504-F521 HydrophobicContact CG-CZ 3.99Å
505	V	97.1	Very high	96.5	Very high	64 Å²	64	53.5 Å²	53.5	39%	0.388	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.3	170.7	-176.8	0	0	0	0	107.3	A490 K499	A490-V505 HydrophobicContact CB-CG2 4.39Å; A490-V505 WeakPolarHBondContact O-CA 3.25Å; K499-V505 HydrophobicContact CB-CG2 3.77Å; K499-V505 HydrophobicContact CD-CG1 4.15Å; K499-V505 HydrophobicContact CG-CG1 3.94Å; K499-V505 HydrophobicContact CG-CG2 3.93Å
506	T	97.7	Very high	96.4	Very high	8 Å²	8	55 Å²	55	5%	0.049	28%	0.278	C	S	.	.			trans	-99.7	-176.9	179.8	-164.2	0	0	0	0	112.2	V489 A490 M491 G492 G513 A517	V489-T506 HydrophobicContact CG1-CG2 3.64Å; A490-T506 PolarHBondContact O-N 3.42Å; M491-T506 HydrophobicContact CE-CG2 4.22Å; M491-T506 HydrophobicContact SD-CG2 3.81Å; G492-T506 WeakPolarHBondContact CA-O 3.47Å; G492-T506 PolarHBondContact N-O 3.07Å; T506-G513 WeakPolarHBondContact CG2-O 3.39Å; T506-G513 PolarHBondContact OG1-O 3.36Å; T506-A517 HydrophobicContact CG2-CB 4.21Å
507	A	97.3	Very high	96.2	Very high	25 Å²	25	49.8 Å²	49.8	21%	0.207	25%	0.251	C	S	.	.			trans	-64.6	174.9	171.5	0	0	0	0	0	111.3	G492 N511	G492-A507 PolarHBondContact N-O 3.49Å; A507-N511 HydrophobicContact CB-CB 4.17Å; A507-N511 VanDerWaalsContact CB-O 3.26Å; A507-N511 WeakPolarHBondContact CB-O 3.22Å
508	T	98.4	Very high	96	Very high	35 Å²	35	45.6 Å²	45.6	22%	0.215	23%	0.231	C	C	.	.			trans	-73.7	165.9	-179	67.9	0	0	0	0	111.6	N493 E510 N511 G513	N493-T508 HydrophobicContact CB-CG2 3.93Å; N493-T508 VanDerWaalsContact OD1-CA 3.29Å; N493-T508 WeakPolarHBondContact OD1-CA 3.45Å; N493-T508 WeakPolarHBondContact OD1-CB 3.39Å; T508-E510 PolarHBondContact O-N 3.15Å; T508-E510 VanDerWaalsContact O-N 3.16Å; T508-E510 PolarHBondContact OG1-N 2.96Å; T508-N511 CarbonylContact O-C 3.54Å; T508-N511 PolarHBondContact O-N 3Å; T508-N511 PolarHBondContact OG1-N 2.96Å; T508-N511 PolarHBondContact OG1-ND2 2.77Å; T508-G513 PolarHBondContact O-N 3.17Å; T508-G513 VanDerWaalsContact O-N 3.14Å
509	N	97.2	Very high	95.6	Very high	16 Å²	16	51.5 Å²	51.5	9%	0.086	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.8	167.3	64.3	-34.9	0	0	0	114	G275 T276 I278 L285 M491 N493	G275-N509 WeakPolarHBondContact O-CB 3.41Å; T276-N509 VanDerWaalsContact O-CB 3.31Å; T276-N509 WeakPolarHBondContact O-CB 3.2Å; I278-N509 PolarHBondContact O-ND2 3.12Å; L285-N509 VanDerWaalsContact CD1-O 3.23Å; L285-N509 WeakPolarHBondContact CD1-O 3.48Å; M491-N509 HydrophobicContact CE-CB 4.19Å; N493-N509 VanDerWaalsContact CG-OD1 3.26Å; N493-N509 PolarHBondContact OD1-N 3.34Å; N493-N509 PolarHBondContact OD1-OD1 3.4Å; N493-N509 VanDerWaalsContact OD1-OD1 3.09Å
510	E	97.7	Very high	94.8	Very high	74 Å²	74	54.6 Å²	54.6	35%	0.346	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.3	173.4	-56	-57.8	151.4	0	0	113.8	T279 S280 T508	T279-E510 WeakPolarHBondContact CA-OE1 3.02Å; T279-E510 WeakPolarHBondContact CB-OE1 3.4Å; T279-E510 VanDerWaalsContact CB-OE2 3.25Å; T279-E510 WeakPolarHBondContact CB-OE2 3.09Å; T279-E510 VanDerWaalsContact CG2-OE2 3.28Å; T279-E510 WeakPolarHBondContact CG2-OE2 3.27Å; S280-E510 PolarHBondContact N-OE1 3.15Å; S280-E510 PolarHBondContact OG-OE1 3.39Å; T508-E510 PolarHBondContact O-N 3.15Å; T508-E510 VanDerWaalsContact O-N 3.16Å; T508-E510 PolarHBondContact OG1-N 2.96Å
511	N	97.6	Very high	94.2	Very high	96 Å²	96	47.6 Å²	47.6	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	48.2	-168.7	-67.1	-62.8	0	0	0	111.5	A507 T508 G513 Q516	A507-N511 HydrophobicContact CB-CB 4.17Å; A507-N511 VanDerWaalsContact CB-O 3.26Å; A507-N511 WeakPolarHBondContact CB-O 3.22Å; T508-N511 CarbonylContact O-C 3.54Å; T508-N511 PolarHBondContact O-N 3Å; T508-N511 PolarHBondContact OG1-N 2.96Å; T508-N511 PolarHBondContact OG1-ND2 2.77Å; N511-G513 PolarHBondContact O-N 3.26Å; N511-G513 VanDerWaalsContact O-N 3.08Å; N511-Q516 PolarHBondContact O-NE2 3.44Å
512	D	97.4	Very high	93.4	Very high	67 Å²	67	49.8 Å²	49.8	36%	0.358	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	26.4	174.3	-55.1	-41.3	0	0	0	115	S287 I514 Y515 Q516	S287-D512 WeakPolarHBondContact CB-OD1 3.3Å; S287-D512 PolarHBondContact OG-OD1 3.42Å; D512-I514 VanDerWaalsContact C-N 3.3Å; D512-I514 PolarHBondContact O-N 3.13Å; D512-Y515 PolarHBondContact O-N 3.47Å; D512-Y515 VanDerWaalsContact O-N 3.07Å; D512-Q516 HydrophobicContact CB-CG 4.39Å; D512-Q516 WeakPolarHBondContact O-CG 3.48Å; D512-Q516 PolarHBondContact O-N 3.19Å
513	G	97.8	Very high	93	Very high	1 Å²	1	49 Å²	49	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-53.4	-42.7	-173.5	0	0	0	0	0	114.2	T506 T508 N511 Q516 A517	T506-G513 WeakPolarHBondContact CG2-O 3.39Å; T506-G513 PolarHBondContact OG1-O 3.36Å; T508-G513 PolarHBondContact O-N 3.17Å; T508-G513 VanDerWaalsContact O-N 3.14Å; N511-G513 PolarHBondContact O-N 3.26Å; N511-G513 VanDerWaalsContact O-N 3.08Å; G513-Q516 PolarHBondContact O-N 3.43Å; G513-A517 WeakPolarHBondContact O-CB 3.22Å; G513-A517 PolarHBondContact O-N 3.13Å
514	I	98.4	Very high	92.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-49.7	177.3	-69.3	170.7	0	0	0	111.3	F271 T276 L277 T288 A291 F472 M491 D512 Q516 A517 M518	F271-I514 HydrophobicContact CD1-CD1 3.84Å; F271-I514 HydrophobicContact CD1-CG1 4.24Å; F271-I514 HydrophobicContact CD1-CG2 4.31Å; F271-I514 HydrophobicContact CE1-CD1 4.23Å; F271-I514 HydrophobicContact CE1-CG1 4.36Å; F271-I514 HydrophobicContact CE1-CG2 3.62Å; F271-I514 HydrophobicContact CZ-CG2 4.36Å; T276-I514 HydrophobicContact CG2-CD1 4.36Å; L277-I514 HydrophobicContact CD2-CD1 3.76Å; L277-I514 HydrophobicContact CG-CD1 4.41Å; T288-I514 HydrophobicContact CG2-CB 4.47Å; T288-I514 HydrophobicContact CG2-CD1 3.75Å; T288-I514 HydrophobicContact CG2-CG2 4.36Å; A291-I514 HydrophobicContact CB-CG2 4.32Å; F472-I514 HydrophobicContact CD1-CG1 4.03Å; F472-I514 HydrophobicContact CE1-CB 4.44Å; F472-I514 HydrophobicContact CE1-CG1 4.18Å; F472-I514 HydrophobicContact CG-CG1 4.45Å; F472-I514 HydrophobicContact CZ-CG2 4.44Å; M491-I514 HydrophobicContact CE-CG1 4.26Å; M491-I514 HydrophobicContact SD-CG1 4.37Å; D512-I514 VanDerWaalsContact C-N 3.3Å; D512-I514 PolarHBondContact O-N 3.13Å; I514-Q516 PolarHBondContact O-N 2.95Å; I514-A517 PolarHBondContact O-N 3.37Å; I514-M518 HydrophobicContact CG2-CG 4.44Å; I514-M518 HydrophobicContact CG2-SD 3.59Å; I514-M518 VanDerWaalsContact CG2-SD 3.59Å; I514-M518 WeakPolarHBondContact O-CB 3.31Å; I514-M518 VanDerWaalsContact O-CG 3.31Å; I514-M518 WeakPolarHBondContact O-CG 3.24Å; I514-M518 PolarHBondContact O-N 2.91Å
515	Y	97.9	Very high	92.9	Very high	72 Å²	72	48.5 Å²	48.5	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-45.3	179.6	-177.6	-85.6	0	0	0	111.4	S287 E290 A291 D512 M518 K519 I524	S287-Y515 WeakPolarHBondContact O-CD2 3.32Å; E290-Y515 HydrophobicContact CG-CE2 4.49Å; A291-Y515 HydrophobicContact CB-CD2 4.02Å; D512-Y515 PolarHBondContact O-N 3.47Å; D512-Y515 VanDerWaalsContact O-N 3.07Å; Y515-M518 PolarHBondContact O-N 3.26Å; Y515-K519 HydrophobicContact CE1-CD 4.06Å; Y515-K519 VanDerWaalsContact O-CB 3.29Å; Y515-K519 WeakPolarHBondContact O-CB 2.94Å; Y515-K519 PolarHBondContact O-N 3.48Å; Y515-I524 HydrophobicContact CD2-CD1 3.65Å; Y515-I524 HydrophobicContact CE2-CD1 3.73Å; Y515-I524 HydrophobicContact CG-CD1 4.17Å
516	Q	95.6	Very high	92.7	Very high	87 Å²	87	47.6 Å²	47.6	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-44.4	179.4	-68.9	-174	36.3	0	0	112.2	N511 D512 G513 I514 K519 Y520	N511-Q516 PolarHBondContact O-NE2 3.44Å; D512-Q516 HydrophobicContact CB-CG 4.39Å; D512-Q516 WeakPolarHBondContact O-CG 3.48Å; D512-Q516 PolarHBondContact O-N 3.19Å; G513-Q516 PolarHBondContact O-N 3.43Å; I514-Q516 PolarHBondContact O-N 2.95Å; Q516-K519 PolarHBondContact O-N 3.15Å; Q516-Y520 VanDerWaalsContact O-CB 3.31Å; Q516-Y520 WeakPolarHBondContact O-CB 3.49Å; Q516-Y520 PolarHBondContact O-N 3.29Å
517	A	93.2	Very high	92.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-49.9	176.2	0	0	0	0	0	111.7	M470 F472 V489 Y504 T506 G513 I514 K519 Y520 F521	M470-A517 HydrophobicContact CE-CB 4.35Å; F472-A517 HydrophobicContact CE1-CB 3.48Å; F472-A517 VanDerWaalsContact CE1-CB 3.48Å; F472-A517 HydrophobicContact CZ-CB 3.75Å; V489-A517 HydrophobicContact CG1-CB 4.13Å; Y504-A517 HydrophobicContact CD1-CB 4.22Å; Y504-A517 HydrophobicContact CE1-CB 4.04Å; T506-A517 HydrophobicContact CG2-CB 4.21Å; G513-A517 WeakPolarHBondContact O-CB 3.22Å; G513-A517 PolarHBondContact O-N 3.13Å; I514-A517 PolarHBondContact O-N 3.37Å; A517-K519 VanDerWaalsContact C-N 3.26Å; A517-K519 PolarHBondContact O-N 3.21Å; A517-Y520 WeakPolarHBondContact O-CB 3.43Å; A517-Y520 PolarHBondContact O-N 3.28Å; A517-Y520 VanDerWaalsContact O-N 3.09Å; A517-F521 WeakPolarHBondContact O-CD2 3.37Å; A517-F521 PolarHBondContact O-N 2.93Å
518	M	92.9	Very high	92.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-38.7	-179.1	-70.2	174.8	64.3	0	0	111.2	I269 F271 A291 A295 F472 I514 Y515 F521 N522 I523 I524	I269-M518 HydrophobicContact CD1-CE 3.61Å; I269-M518 HydrophobicContact CD1-SD 4.32Å; F271-M518 HydrophobicContact CE1-SD 4.3Å; F271-M518 HydrophobicContact CZ-SD 4.21Å; A291-M518 HydrophobicContact CB-CE 4.05Å; A291-M518 HydrophobicContact CB-SD 3.72Å; A291-M518 VanDerWaalsContact O-CE 3.26Å; A291-M518 WeakPolarHBondContact O-CE 3.38Å; A295-M518 HydrophobicContact CB-CE 3.5Å; F472-M518 HydrophobicContact CE2-CG 4.31Å; F472-M518 HydrophobicContact CZ-CG 3.91Å; I514-M518 HydrophobicContact CG2-CG 4.44Å; I514-M518 HydrophobicContact CG2-SD 3.59Å; I514-M518 VanDerWaalsContact CG2-SD 3.59Å; I514-M518 WeakPolarHBondContact O-CB 3.31Å; I514-M518 VanDerWaalsContact O-CG 3.31Å; I514-M518 WeakPolarHBondContact O-CG 3.24Å; I514-M518 PolarHBondContact O-N 2.91Å; Y515-M518 PolarHBondContact O-N 3.26Å; M518-F521 PolarHBondContact O-N 3.12Å; M518-N522 PolarHBondContact O-N 3.3Å; M518-I523 HydrophobicContact CB-CB 4.15Å; M518-I523 HydrophobicContact CE-CG2 3.89Å; M518-I523 WeakPolarHBondContact O-CB 3.31Å; M518-I523 PolarHBondContact O-N 3.19Å; M518-I524 HydrophobicContact CB-CD1 3.77Å; M518-I524 HydrophobicContact CB-CG1 3.84Å; M518-I524 HydrophobicContact CB-CG2 4.32Å; M518-I524 HydrophobicContact CE-CG2 3.73Å
519	K	87.3	Confident	91.7	Very high	123 Å²	123	52.3 Å²	52.3	54%	0.535	25%	0.248	S	C	.	.	H	α-helix	trans	-65.7	-44.1	172.5	-174.4	175.2	-177.7	175.1	0	112.4	Y515 Q516 A517 F521 N522 I524	Y515-K519 HydrophobicContact CE1-CD 4.06Å; Y515-K519 VanDerWaalsContact O-CB 3.29Å; Y515-K519 WeakPolarHBondContact O-CB 2.94Å; Y515-K519 PolarHBondContact O-N 3.48Å; Q516-K519 PolarHBondContact O-N 3.15Å; A517-K519 VanDerWaalsContact C-N 3.26Å; A517-K519 PolarHBondContact O-N 3.21Å; K519-F521 PolarHBondContact O-N 3.36Å; K519-N522 PolarHBondContact O-N 3.31Å; K519-I524 HydrophobicContact CB-CG1 4.24Å
520	Y	83.3	Confident	91.4	Very high	117 Å²	117	54.7 Å²	54.7	46%	0.459	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-38.3	177.1	173.2	-93.1	0	0	0	112	Y504 Q516 A517 N522	Y504-Y520 HydrophobicContact CD2-CD1 4.15Å; Y504-Y520 AromaticContact CD2-CE1 3.89Å; Y504-Y520 HydrophobicContact CD2-CE1 3.89Å; Y504-Y520 HydrophobicContact CE1-CD1 4.39Å; Y504-Y520 HydrophobicContact CE1-CG 4.5Å; Y504-Y520 HydrophobicContact CE2-CD1 4.01Å; Y504-Y520 HydrophobicContact CE2-CD2 4.27Å; Y504-Y520 AromaticContact CE2-CE1 3.98Å; Y504-Y520 HydrophobicContact CE2-CE1 3.98Å; Y504-Y520 HydrophobicContact CE2-CE2 4.23Å; Y504-Y520 HydrophobicContact CE2-CG 4.17Å; Y504-Y520 HydrophobicContact CG-CD1 4.42Å; Y504-Y520 HydrophobicContact CG-CE1 4.42Å; Q516-Y520 VanDerWaalsContact O-CB 3.31Å; Q516-Y520 WeakPolarHBondContact O-CB 3.49Å; Q516-Y520 PolarHBondContact O-N 3.29Å; A517-Y520 WeakPolarHBondContact O-CB 3.43Å; A517-Y520 PolarHBondContact O-N 3.28Å; A517-Y520 VanDerWaalsContact O-N 3.09Å; Y520-N522 VanDerWaalsContact C-N 3.29Å; Y520-N522 PolarHBondContact O-N 3.4Å
521	F	81.8	Confident	90.9	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	3	177.8	-71.9	-71	0	0	0	114.1	R263 M470 I487 V489 Y504 A517 M518 K519 I523	R263-F521 HydrophobicContact CB-CB 4.39Å; R263-F521 HydrophobicContact CB-CD1 4.08Å; R263-F521 WeakPolarHBondContact CB-O 3.4Å; R263-F521 HydrophobicContact CG-CD1 3.67Å; R263-F521 HydrophobicContact CG-CE1 4.28Å; M470-F521 HydrophobicContact CE-CD2 3.54Å; M470-F521 HydrophobicContact CE-CE2 3.95Å; M470-F521 HydrophobicContact CE-CG 4.39Å; I487-F521 HydrophobicContact CD1-CD1 3.74Å; I487-F521 HydrophobicContact CD1-CE1 3.99Å; I487-F521 HydrophobicContact CD1-CG 4.2Å; I487-F521 HydrophobicContact CG2-CD1 4.38Å; I487-F521 HydrophobicContact CG2-CD2 4.27Å; I487-F521 HydrophobicContact CG2-CE1 3.86Å; I487-F521 HydrophobicContact CG2-CE2 3.76Å; I487-F521 HydrophobicContact CG2-CZ 3.52Å; V489-F521 HydrophobicContact CG2-CE2 3.9Å; Y504-F521 AromaticContact CD1-CE2 3.78Å; Y504-F521 HydrophobicContact CD1-CE2 3.78Å; Y504-F521 HydrophobicContact CD1-CZ 4.35Å; Y504-F521 AromaticContact CG-CE2 3.9Å; Y504-F521 HydrophobicContact CG-CE2 3.9Å; Y504-F521 AromaticContact CG-CZ 3.99Å; Y504-F521 HydrophobicContact CG-CZ 3.99Å; A517-F521 WeakPolarHBondContact O-CD2 3.37Å; A517-F521 PolarHBondContact O-N 2.93Å; M518-F521 PolarHBondContact O-N 3.12Å; K519-F521 PolarHBondContact O-N 3.36Å; F521-I523 HydrophobicContact CB-CG1 3.81Å; F521-I523 PolarHBondContact O-N 2.65Å
522	N	80.1	Confident	90.4	Very high	118 Å²	118	50.1 Å²	50.1	63%	0.631	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	34.3	-173.1	-57.1	-46.9	0	0	0	113.1	M518 K519 Y520	M518-N522 PolarHBondContact O-N 3.3Å; K519-N522 PolarHBondContact O-N 3.31Å; Y520-N522 VanDerWaalsContact C-N 3.29Å; Y520-N522 PolarHBondContact O-N 3.4Å
523	I	84.1	Confident	89.8	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	22%	0.222	C	C	.	.			trans	-78.1	-28.2	170.8	-57.8	-65.4	0	0	0	110.2	R263 I266 I269 A295 Q298 I300 M470 M518 F521	R263-I523 WeakPolarHBondContact O-CD1 3.18Å; I266-I523 HydrophobicContact CB-CD1 3.74Å; I266-I523 HydrophobicContact CG1-CD1 3.67Å; I266-I523 HydrophobicContact CG2-CD1 4.42Å; I269-I523 HydrophobicContact CD1-CG2 3.85Å; A295-I523 HydrophobicContact CB-CG2 4.16Å; Q298-I523 PolarHBondContact NE2-O 2.96Å; I300-I523 HydrophobicContact CD1-CG2 3.85Å; M470-I523 HydrophobicContact SD-CG1 4.23Å; M518-I523 HydrophobicContact CB-CB 4.15Å; M518-I523 HydrophobicContact CE-CG2 3.89Å; M518-I523 WeakPolarHBondContact O-CB 3.31Å; M518-I523 PolarHBondContact O-N 3.19Å; F521-I523 HydrophobicContact CB-CG1 3.81Å; F521-I523 PolarHBondContact O-N 2.65Å
524	I	85.9	Confident	89.1	Confident	59 Å²	59	53 Å²	53	30%	0.303	24%	0.241	S	C	.	.			trans	-136.2	0	-178.3	63.4	175.7	0	0	0	112.9	A291 L294 A295 Y515 M518 K519	A291-I524 HydrophobicContact CB-CD1 3.73Å; A291-I524 WeakPolarHBondContact O-CG2 3.4Å; L294-I524 HydrophobicContact CB-CB 3.82Å; L294-I524 HydrophobicContact CB-CG2 3.47Å; L294-I524 VanDerWaalsContact CB-CG2 3.47Å; L294-I524 HydrophobicContact CD1-CB 3.95Å; L294-I524 HydrophobicContact CD1-CD1 4.41Å; L294-I524 HydrophobicContact CD1-CG2 4.43Å; A295-I524 HydrophobicContact CB-CG2 4.37Å; Y515-I524 HydrophobicContact CD2-CD1 3.65Å; Y515-I524 HydrophobicContact CE2-CD1 3.73Å; Y515-I524 HydrophobicContact CG-CD1 4.17Å; M518-I524 HydrophobicContact CB-CD1 3.77Å; M518-I524 HydrophobicContact CB-CG1 3.84Å; M518-I524 HydrophobicContact CB-CG2 4.32Å; M518-I524 HydrophobicContact CE-CG2 3.73Å; K519-I524 HydrophobicContact CB-CG1 4.24Å

Retrieved 524 of 524 residues in 1894.3 ms (Link to these results)

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