A0AA82N7Y7_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7Y7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 742 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	45.6	Very low	64.7	Low	89 Å²	89	78.8 Å²	78.8	44%	0.438	41%	0.405	S	S	.	.				0	94.6	0	-110.9	174.2	-171.6	0	0	112.5	Y22 F157 V167 C740 L742	M1-Y22 HydrophobicContact CE-CD1 3.88Å; M1-Y22 HydrophobicContact CE-CD2 4.04Å; M1-Y22 HydrophobicContact CE-CG 3.57Å; M1-F157 HydrophobicContact CE-CZ 3.86Å; M1-V167 HydrophobicContact CE-CG2 3.52Å; M1-V167 HydrophobicContact SD-CG2 4.42Å; M1-C740 PolarHBondContact N-O 3.35Å; M1-L742 WeakPolarHBondContact CA-O 3.44Å; M1-L742 PolarHBondContact N-O 2.8Å
2	D	43.3	Very low	66.6	Low	101 Å²	101	79.1 Å²	79.1	54%	0.54	40%	0.403	S	S	.	.			trans	-79.6	122	158.8	-170.8	-9.2	0	0	0	108.5	D4 R5 A6 L742	D2-D4 VanDerWaalsContact C-N 3.29Å; D2-D4 PolarHBondContact O-N 3.28Å; D2-R5 HydrophobicContact CB-CB 4.15Å; D2-R5 WeakPolarHBondContact O-CB 3.38Å; D2-R5 PolarHBondContact O-N 3.23Å; D2-A6 PolarHBondContact O-N 2.83Å; D2-L742 PolarHBondContact N-OXT 3.43Å
3	L	43.5	Very low	68.3	Low	138 Å²	138	80.8 Å²	80.8	72%	0.723	40%	0.402	S	S	*	.	H	α-helix	trans	-65.8	-33.6	-170.7	-120.2	78.1	0	0	0	112.2	R5 A6	L3-R5 PolarHBondContact O-N 3.25Å; L3-A6 PolarHBondContact O-N 3.38Å
4	D	42.6	Very low	69.8	Low	148 Å²	148	88.6 Å²	88.6	79%	0.791	44%	0.437	S	S	*	.	H	α-helix	trans	-68.4	-11.8	176.5	-76.5	-7.1	0	0	0	112.6	D2	D2-D4 VanDerWaalsContact C-N 3.29Å; D2-D4 PolarHBondContact O-N 3.28Å
5	R	55.4	Low	71.2	Confident	110 Å²	110	86.4 Å²	86.4	42%	0.415	43%	0.433	S	S	.	.	H	α-helix	trans	-100.1	-22.5	175.8	-154.3	176.3	-171	-172.7	-2.6	113.2	D2 L3 S7 L742	D2-R5 HydrophobicContact CB-CB 4.15Å; D2-R5 WeakPolarHBondContact O-CB 3.38Å; D2-R5 PolarHBondContact O-N 3.23Å; L3-R5 PolarHBondContact O-N 3.25Å; R5-S7 VanDerWaalsContact C-N 3.27Å; R5-S7 PolarHBondContact O-N 3.43Å; R5-L742 WeakPolarHBondContact CD-OXT 3.42Å; R5-L742 VanDerWaalsContact CZ-CD2 3.46Å
6	A	65.6	Low	72.4	Confident	20 Å²	20	83 Å²	83	17%	0.165	42%	0.415	C	S	.	.	H	α-helix	trans	-67.3	-23.2	-179.5	0	0	0	0	0	113.6	D2 L3 Y21 Y22	D2-A6 PolarHBondContact O-N 2.83Å; L3-A6 PolarHBondContact O-N 3.38Å; A6-Y21 CarbonylContact O-C 3.58Å; A6-Y21 VanDerWaalsContact O-CA 3.31Å; A6-Y21 WeakPolarHBondContact O-CA 3.32Å; A6-Y22 PolarHBondContact O-N 3.44Å
7	S	77.4	Confident	73.6	Confident	60 Å²	60	78.6 Å²	78.6	42%	0.42	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	147	171.3	72.7	0	0	0	0	113	R5 V20 Y21	R5-S7 VanDerWaalsContact C-N 3.27Å; R5-S7 PolarHBondContact O-N 3.43Å; S7-V20 CarbonylContact C-O 3.6Å; S7-V20 WeakPolarHBondContact CA-O 3.45Å; S7-Y21 VanDerWaalsContact CB-CD1 3.46Å; S7-Y21 VanDerWaalsContact CB-CE1 3.5Å
8	K	83.1	Confident	74.4	Confident	93 Å²	93	74.2 Å²	74.2	40%	0.404	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	115.8	177.8	-176.4	63.3	174.8	-172.7	0	110.8	S19 V20 A215	K8-S19 CarbonylContact O-C 3.58Å; K8-S19 WeakPolarHBondContact O-CA 3.19Å; K8-V20 PolarHBondContact N-O 2.86Å; K8-V20 PolarHBondContact O-N 3.05Å; K8-A215 HydrophobicContact CG-CB 4.27Å
9	L	86	Confident	75.1	Confident	85 Å²	85	70.4 Å²	70.4	45%	0.445	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131	163.3	-176.4	65.5	0	0	0	109	F11 E12 E17	L9-F11 WeakPolarHBondContact CD1-O 3.5Å; L9-E12 HydrophobicContact CD1-CB 4.44Å; L9-E12 HydrophobicContact CD2-CB 4.26Å; L9-E17 HydrophobicContact CD1-CG 3.51Å
10	V	83.7	Confident	75.6	Confident	9 Å²	9	66.9 Å²	66.9	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-48	179.2	-171.9	0	0	0	0	110.1	Y18 V20 A215	V10-Y18 HydrophobicContact CB-CD1 3.69Å; V10-Y18 HydrophobicContact CB-CE1 4.31Å; V10-Y18 WeakPolarHBondContact CB-O 3.25Å; V10-Y18 HydrophobicContact CG1-CD1 4.13Å; V10-Y18 HydrophobicContact CG2-CD1 3.66Å; V10-Y18 HydrophobicContact CG2-CE1 3.83Å; V10-Y18 PolarHBondContact N-O 3.19Å; V10-V20 HydrophobicContact CG2-CG2 3.67Å; V10-A215 HydrophobicContact CG1-CB 4.42Å; V10-A215 HydrophobicContact CG2-CB 3.9Å
11	F	85.1	Confident	75.8	Confident	14 Å²	14	65.1 Å²	65.1	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.9	168.3	60.7	-104.2	0	0	0	111.7	L9 H16 Y18 I226 F229	L9-F11 WeakPolarHBondContact CD1-O 3.5Å; F11-H16 AromaticContact CE2-CD2 3.66Å; F11-Y18 HydrophobicContact CE1-CD1 4.2Å; F11-Y18 HydrophobicContact CE1-CG 4.23Å; F11-Y18 HydrophobicContact CZ-CG 4.29Å; F11-Y18 PolarHBondContact N-O 2.88Å; F11-Y18 PolarHBondContact O-N 2.89Å; F11-I226 HydrophobicContact CZ-CG2 4.48Å; F11-F229 HydrophobicContact CE1-CB 4.4Å; F11-F229 AromaticContact CE1-CD2 3.7Å; F11-F229 HydrophobicContact CE1-CD2 3.7Å; F11-F229 HydrophobicContact CE1-CE2 4.32Å; F11-F229 HydrophobicContact CE1-CG 4.39Å; F11-F229 HydrophobicContact CZ-CD2 4.25Å
12	E	88.4	Confident	77.1	Confident	82 Å²	82	62 Å²	62	38%	0.383	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.5	168.2	-178.8	170.3	145	0	0	109.1	L9 K174 W175	L9-E12 HydrophobicContact CD1-CB 4.44Å; L9-E12 HydrophobicContact CD2-CB 4.26Å; E12-K174 IonicContact OE1-NZ 3.44Å; E12-K174 PolarHBondContact OE1-NZ 2.88Å; E12-K174 IonicContact OE2-NZ 3.76Å; E12-K174 PolarHBondContact OE2-NZ 3.41Å; E12-W175 HydrophobicContact CG-CH2 4.48Å; E12-W175 HydrophobicContact CG-CZ2 4.01Å
13	R	88.3	Confident	78.6	Confident	102 Å²	102	59.4 Å²	59.4	39%	0.385	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	166.6	175.8	-66.1	-60.3	-156.6	-147	5.5	108.9	S15 H16 W175 D228 N232	R13-S15 PolarHBondContact O-N 2.82Å; R13-H16 PolarHBondContact N-O 3.44Å; R13-H16 PolarHBondContact O-N 3.1Å; R13-W175 WeakPolarHBondContact O-CH2 3.3Å; R13-D228 IonicContact CZ-OD1 3.4Å; R13-D228 IonicContact CZ-OD2 2.93Å; R13-D228 IonicContact NE-OD1 3.91Å; R13-D228 IonicContact NE-OD2 2.76Å; R13-D228 PolarHBondContact NE-OD2 3.42Å; R13-D228 VanDerWaalsContact NH2-CG 3.29Å; R13-D228 IonicContact NH2-OD1 3.69Å; R13-D228 PolarHBondContact NH2-OD1 3.4Å; R13-D228 IonicContact NH2-OD2 3.69Å; R13-D228 PolarHBondContact NH2-OD2 2.66Å; R13-N232 PolarHBondContact NH2-ND2 3.3Å; R13-N232 VanDerWaalsContact NH2-ND2 3.14Å
14	E	89.1	Confident	80.6	Confident	190 Å²	190	53.1 Å²	53.1	89%	0.888	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.6	178.2	-59.5	-179.4	168.2	0	0	114.2	L30	E14-L30 WeakPolarHBondContact O-CD1 3.23Å
15	S	90.8	Very high	82.7	Confident	55 Å²	55	46.2 Å²	46.2	39%	0.385	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-9.4	-172.8	60.2	0	0	0	0	115.1	R13 L30	R13-S15 PolarHBondContact O-N 2.82Å; S15-L30 PolarHBondContact O-N 3.17Å
16	H	91	Very high	84.4	Confident	32 Å²	32	41.4 Å²	41.4	15%	0.148	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	154.4	-175.2	57.8	-66.9	0	0	0	113.9	F11 R13 M27 I28 R29 D228	F11-H16 AromaticContact CE2-CD2 3.66Å; R13-H16 PolarHBondContact N-O 3.44Å; R13-H16 PolarHBondContact O-N 3.1Å; H16-M27 HydrophobicContact CB-CE 3.87Å; H16-I28 CarbonylContact C-O 3.58Å; H16-I28 WeakPolarHBondContact CA-O 3.33Å; H16-I28 WeakPolarHBondContact CB-O 3.41Å; H16-R29 HydrophobicContact CB-CG 4.43Å; H16-D228 IonicContact CE1-OD2 3.91Å; H16-D228 IonicContact NE2-OD2 3.8Å
17	E	91.7	Very high	85.6	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.6	178.4	-160.9	-158.9	95.5	0	0	109.5	L9 S19 R26 I28 W175	L9-E17 HydrophobicContact CD1-CG 3.51Å; E17-S19 WeakPolarHBondContact OE1-CB 3.33Å; E17-S19 PolarHBondContact OE1-OG 2.81Å; E17-R26 IonicContact OE1-CZ 2.65Å; E17-R26 IonicContact OE1-NE 2.86Å; E17-R26 PolarHBondContact OE1-NE 3.37Å; E17-R26 IonicContact OE1-NH2 3.26Å; E17-R26 PolarHBondContact OE1-NH2 3.29Å; E17-R26 IonicContact OE2-NH2 3.75Å; E17-R26 PolarHBondContact OE2-NH2 3.21Å; E17-I28 HydrophobicContact CB-CB 3.91Å; E17-I28 HydrophobicContact CB-CD1 3.83Å; E17-I28 HydrophobicContact CB-CG1 3.93Å; E17-I28 HydrophobicContact CG-CD1 4.38Å; E17-I28 PolarHBondContact N-O 3.28Å; E17-I28 PolarHBondContact O-N 2.96Å; E17-W175 HydrophobicContact CB-CH2 4.17Å; E17-W175 HydrophobicContact CB-CZ2 3.59Å; E17-W175 HydrophobicContact CG-CZ2 4.13Å; E17-W175 PolarHBondContact OE2-NE1 3.45Å
18	Y	89.1	Confident	86.3	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.9	161.4	-177.2	-119.4	0	0	0	111.4	V10 F11 V20 S25 R26 M27 I219 I223 F229	V10-Y18 HydrophobicContact CB-CD1 3.69Å; V10-Y18 HydrophobicContact CB-CE1 4.31Å; V10-Y18 WeakPolarHBondContact CB-O 3.25Å; V10-Y18 HydrophobicContact CG1-CD1 4.13Å; V10-Y18 HydrophobicContact CG2-CD1 3.66Å; V10-Y18 HydrophobicContact CG2-CE1 3.83Å; V10-Y18 PolarHBondContact N-O 3.19Å; F11-Y18 HydrophobicContact CE1-CD1 4.2Å; F11-Y18 HydrophobicContact CE1-CG 4.23Å; F11-Y18 HydrophobicContact CZ-CG 4.29Å; F11-Y18 PolarHBondContact N-O 2.88Å; F11-Y18 PolarHBondContact O-N 2.89Å; Y18-V20 HydrophobicContact CD1-CG2 4.48Å; Y18-V20 HydrophobicContact CE1-CG2 3.61Å; Y18-V20 HydrophobicContact CE2-CG2 4.48Å; Y18-S25 VanDerWaalsContact OH-CB 3.32Å; Y18-S25 WeakPolarHBondContact OH-CB 3.45Å; Y18-R26 WeakPolarHBondContact CA-O 3.39Å; Y18-R26 WeakPolarHBondContact CD2-O 3.36Å; Y18-M27 HydrophobicContact CD2-SD 4.16Å; Y18-I219 HydrophobicContact CE1-CD1 4.13Å; Y18-I223 HydrophobicContact CD2-CD1 3.79Å; Y18-I223 HydrophobicContact CE1-CD1 4.41Å; Y18-I223 HydrophobicContact CE2-CD1 3.09Å; Y18-I223 VanDerWaalsContact CZ-CD1 3.46Å; Y18-F229 HydrophobicContact CD1-CD2 4.36Å; Y18-F229 AromaticContact CD1-CE2 3.61Å; Y18-F229 HydrophobicContact CD1-CE2 3.61Å; Y18-F229 HydrophobicContact CD1-CZ 4.49Å; Y18-F229 AromaticContact CE1-CE2 3.59Å; Y18-F229 HydrophobicContact CE1-CE2 3.59Å; Y18-F229 HydrophobicContact CE1-CZ 4.15Å; Y18-F229 HydrophobicContact CG-CE2 4.33Å
19	S	87.7	Confident	86.8	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.4	178.5	43.8	0	0	0	0	111.2	K8 E17 Y21 R26	K8-S19 CarbonylContact O-C 3.58Å; K8-S19 WeakPolarHBondContact O-CA 3.19Å; E17-S19 WeakPolarHBondContact OE1-CB 3.33Å; E17-S19 PolarHBondContact OE1-OG 2.81Å; S19-Y21 WeakPolarHBondContact OG-CE2 3.42Å; S19-Y21 PolarHBondContact OG-OH 2.73Å; S19-R26 PolarHBondContact N-O 2.92Å; S19-R26 PolarHBondContact O-N 2.83Å; S19-R26 PolarHBondContact OG-NE 3.49Å; S19-R26 PolarHBondContact OG-NH2 2.86Å
20	V	83.9	Confident	87.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.1	-176.5	-164.8	0	0	0	0	109.3	S7 K8 V10 Y18 R217 I219	S7-V20 CarbonylContact C-O 3.6Å; S7-V20 WeakPolarHBondContact CA-O 3.45Å; K8-V20 PolarHBondContact N-O 2.86Å; K8-V20 PolarHBondContact O-N 3.05Å; V10-V20 HydrophobicContact CG2-CG2 3.67Å; Y18-V20 HydrophobicContact CD1-CG2 4.48Å; Y18-V20 HydrophobicContact CE1-CG2 3.61Å; Y18-V20 HydrophobicContact CE2-CG2 4.48Å; V20-R217 PolarHBondContact O-NH1 2.92Å; V20-I219 HydrophobicContact CG1-CG2 3.9Å; V20-I219 HydrophobicContact CG2-CG2 4.07Å
21	Y	80.8	Confident	87.7	Confident	29 Å²	29	40.5 Å²	40.5	11%	0.114	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-171.1	-176.4	-67.3	-89.3	0	0	0	110.9	A6 S7 S19 H24 R26 I169 R217	A6-Y21 CarbonylContact O-C 3.58Å; A6-Y21 VanDerWaalsContact O-CA 3.31Å; A6-Y21 WeakPolarHBondContact O-CA 3.32Å; S7-Y21 VanDerWaalsContact CB-CD1 3.46Å; S7-Y21 VanDerWaalsContact CB-CE1 3.5Å; S19-Y21 WeakPolarHBondContact OG-CE2 3.42Å; S19-Y21 PolarHBondContact OG-OH 2.73Å; Y21-H24 CarbonylContact C-O 3.55Å; Y21-H24 WeakPolarHBondContact CA-O 3.4Å; Y21-H24 WeakPolarHBondContact CB-O 3.5Å; Y21-H24 PolarHBondContact N-O 3.14Å; Y21-R26 HydrophobicContact CD2-CB 4.15Å; Y21-R26 HydrophobicContact CE2-CB 3.83Å; Y21-R26 VanDerWaalsContact OH-CZ 3.25Å; Y21-R26 PolarHBondContact OH-NH2 3.01Å; Y21-R26 VanDerWaalsContact OH-NH2 3.16Å; Y21-I169 HydrophobicContact CD1-CB 4.39Å; Y21-I169 HydrophobicContact CD1-CD1 4.2Å; Y21-I169 HydrophobicContact CD1-CG1 3.78Å; Y21-I169 HydrophobicContact CD1-CG2 3.96Å; Y21-I169 HydrophobicContact CD2-CD1 4.05Å; Y21-I169 HydrophobicContact CD2-CG1 4.41Å; Y21-I169 HydrophobicContact CD2-CG2 3.99Å; Y21-I169 HydrophobicContact CE1-CB 4.39Å; Y21-I169 HydrophobicContact CE1-CG1 4.28Å; Y21-I169 HydrophobicContact CE1-CG2 3.62Å; Y21-I169 HydrophobicContact CE2-CG2 3.66Å; Y21-I169 HydrophobicContact CG-CD1 3.74Å; Y21-I169 HydrophobicContact CG-CG1 3.87Å; Y21-I169 HydrophobicContact CG-CG2 4.15Å; Y21-I169 VanDerWaalsContact CZ-CG2 3.48Å; Y21-R217 PolarHBondContact O-NH1 3.26Å; Y21-R217 PolarHBondContact O-NH2 2.9Å
22	Y	72.6	Confident	88.2	Confident	25 Å²	25	42.3 Å²	42.3	10%	0.098	20%	0.199	C	C	.	.	S	Bend	trans	-71.5	136.9	159	-170.1	-99.3	0	0	0	110.2	M1 A6 H24 F157 V167 S739 L742	M1-Y22 HydrophobicContact CE-CD1 3.88Å; M1-Y22 HydrophobicContact CE-CD2 4.04Å; M1-Y22 HydrophobicContact CE-CG 3.57Å; A6-Y22 PolarHBondContact O-N 3.44Å; Y22-H24 PolarHBondContact O-N 2.85Å; Y22-F157 AromaticContact CD1-CE1 3.74Å; Y22-F157 HydrophobicContact CD1-CE1 3.74Å; Y22-F157 HydrophobicContact CD1-CE2 4.43Å; Y22-F157 AromaticContact CD1-CZ 3.53Å; Y22-F157 HydrophobicContact CD1-CZ 3.53Å; Y22-F157 AromaticContact CE1-CE1 3.8Å; Y22-F157 HydrophobicContact CE1-CE1 3.8Å; Y22-F157 AromaticContact CE1-CE2 3.84Å; Y22-F157 HydrophobicContact CE1-CE2 3.84Å; Y22-F157 AromaticContact CE1-CZ 3.37Å; Y22-F157 HydrophobicContact CE1-CZ 3.37Å; Y22-V167 HydrophobicContact CD1-CG2 4.08Å; Y22-V167 HydrophobicContact CG-CG2 4.35Å; Y22-S739 WeakPolarHBondContact OH-CA 3.26Å; Y22-S739 WeakPolarHBondContact OH-CB 3.38Å; Y22-S739 PolarHBondContact OH-O 2.98Å; Y22-S739 PolarHBondContact OH-OG 3.32Å; Y22-L742 HydrophobicContact CE2-CB 4.21Å; Y22-L742 HydrophobicContact CE2-CD1 3.81Å
23	H	75.8	Confident	88.5	Confident	45 Å²	45	43.3 Å²	43.3	21%	0.208	21%	0.213	C	C	.	.	S	Bend	trans	59.5	-25.6	-176.5	-161	-77.1	0	0	0	117.3	Y61 G62 S187	H23-Y61 HydrophobicContact CB-CD1 3.89Å; H23-Y61 HydrophobicContact CB-CE1 4.05Å; H23-G62 PolarHBondContact NE2-N 2.97Å; H23-S187 PolarHBondContact O-N 2.65Å
24	H	84.6	Confident	88.7	Confident	7 Å²	7	40.8 Å²	40.8	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.2	-173.6	-60.2	104	0	0	0	113.8	Y21 Y22 Y61 I169 E185	Y21-H24 CarbonylContact C-O 3.55Å; Y21-H24 WeakPolarHBondContact CA-O 3.4Å; Y21-H24 WeakPolarHBondContact CB-O 3.5Å; Y21-H24 PolarHBondContact N-O 3.14Å; Y22-H24 PolarHBondContact O-N 2.85Å; H24-Y61 AromaticContact CE1-CD1 3.69Å; H24-Y61 AromaticContact CE1-CD2 3.93Å; H24-Y61 AromaticContact CE1-CE1 3.37Å; H24-Y61 WeakPolarHBondContact CE1-CE1 3.4Å; H24-Y61 AromaticContact CE1-CE2 3.62Å; H24-Y61 AromaticContact CE1-CG 3.97Å; H24-Y61 AromaticContact CE1-CZ 3.34Å; H24-Y61 AromaticContact ND1-CE1 3.35Å; H24-Y61 VanDerWaalsContact ND1-CE1 3.35Å; H24-Y61 WeakPolarHBondContact ND1-CE1 3.29Å; H24-Y61 AromaticContact ND1-CZ 3.35Å; H24-Y61 PolarHBondContact ND1-OH 2.73Å; H24-I169 HydrophobicContact CB-CD1 4.39Å; H24-E185 CarbonylContact C-O 3.58Å; H24-E185 VanDerWaalsContact CA-O 3.28Å; H24-E185 WeakPolarHBondContact CA-O 3.15Å
25	S	87	Confident	89	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147	163.5	53.8	0	0	0	0	110	Y18 Y184 E185 S187	Y18-S25 VanDerWaalsContact OH-CB 3.32Å; Y18-S25 WeakPolarHBondContact OH-CB 3.45Å; S25-Y184 CarbonylContact O-C 3.58Å; S25-Y184 VanDerWaalsContact O-CA 3.32Å; S25-Y184 WeakPolarHBondContact O-CA 3.12Å; S25-E185 PolarHBondContact N-O 2.55Å; S25-E185 PolarHBondContact O-N 2.91Å; S25-E185 PolarHBondContact OG-O 2.88Å; S25-S187 PolarHBondContact N-OG 3.45Å
26	R	90.1	Very high	88.9	Confident	9 Å²	9	33.1 Å²	33.1	3%	0.034	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124	-178.3	-175	178.8	74.6	-179.8	5.1	111.3	E17 Y18 S19 Y21 I28 H170 M182 E183 Y184	E17-R26 IonicContact OE1-CZ 2.65Å; E17-R26 IonicContact OE1-NE 2.86Å; E17-R26 PolarHBondContact OE1-NE 3.37Å; E17-R26 IonicContact OE1-NH2 3.26Å; E17-R26 PolarHBondContact OE1-NH2 3.29Å; E17-R26 IonicContact OE2-NH2 3.75Å; E17-R26 PolarHBondContact OE2-NH2 3.21Å; Y18-R26 WeakPolarHBondContact CA-O 3.39Å; Y18-R26 WeakPolarHBondContact CD2-O 3.36Å; S19-R26 PolarHBondContact N-O 2.92Å; S19-R26 PolarHBondContact O-N 2.83Å; S19-R26 PolarHBondContact OG-NE 3.49Å; S19-R26 PolarHBondContact OG-NH2 2.86Å; Y21-R26 HydrophobicContact CD2-CB 4.15Å; Y21-R26 HydrophobicContact CE2-CB 3.83Å; Y21-R26 VanDerWaalsContact OH-CZ 3.25Å; Y21-R26 PolarHBondContact OH-NH2 3.01Å; Y21-R26 VanDerWaalsContact OH-NH2 3.16Å; R26-I28 HydrophobicContact CG-CG1 4.23Å; R26-H170 PolarHBondContact NH1-O 2.83Å; R26-M182 HydrophobicContact CG-CG 4.18Å; R26-E183 CarbonylContact C-O 3.39Å; R26-E183 VanDerWaalsContact CA-O 3.28Å; R26-E183 WeakPolarHBondContact CA-O 3.43Å; R26-Y184 HydrophobicContact CB-CD1 4.12Å; R26-Y184 HydrophobicContact CB-CE1 4.11Å; R26-Y184 VanDerWaalsContact CD-CE1 3.47Å; R26-Y184 WeakPolarHBondContact CD-OH 3.41Å; R26-Y184 HydrophobicContact CG-CD1 4.07Å; R26-Y184 HydrophobicContact CG-CE1 3.76Å
27	M	91	Very high	88.4	Confident	8 Å²	8	37.5 Å²	37.5	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130	171.6	-173.4	68.2	-146.8	0	0	109.5	H16 Y18 R29 M182 E183 I223 I226	H16-M27 HydrophobicContact CB-CE 3.87Å; Y18-M27 HydrophobicContact CD2-SD 4.16Å; M27-R29 HydrophobicContact CE-CG 3.74Å; M27-R29 HydrophobicContact CG-CG 4.27Å; M27-M182 CarbonylContact O-C 3.59Å; M27-M182 WeakPolarHBondContact O-CA 3.48Å; M27-E183 PolarHBondContact N-O 2.95Å; M27-E183 PolarHBondContact O-N 3.1Å; M27-I223 HydrophobicContact SD-CG2 4.3Å; M27-I226 HydrophobicContact CE-CD1 3.45Å; M27-I226 VanDerWaalsContact CE-CD1 3.45Å; M27-I226 HydrophobicContact CG-CD1 4.45Å; M27-I226 HydrophobicContact SD-CD1 3.57Å; M27-I226 VanDerWaalsContact SD-CD1 3.57Å
28	I	93	Very high	87.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.1	175.4	-46.5	-179.4	0	0	0	109	H16 E17 R26 W175 T180 M182	H16-I28 CarbonylContact C-O 3.58Å; H16-I28 WeakPolarHBondContact CA-O 3.33Å; H16-I28 WeakPolarHBondContact CB-O 3.41Å; E17-I28 HydrophobicContact CB-CB 3.91Å; E17-I28 HydrophobicContact CB-CD1 3.83Å; E17-I28 HydrophobicContact CB-CG1 3.93Å; E17-I28 HydrophobicContact CG-CD1 4.38Å; E17-I28 PolarHBondContact N-O 3.28Å; E17-I28 PolarHBondContact O-N 2.96Å; R26-I28 HydrophobicContact CG-CG1 4.23Å; I28-W175 HydrophobicContact CB-CD2 4.46Å; I28-W175 HydrophobicContact CD1-CB 4.47Å; I28-W175 VanDerWaalsContact CD1-CD1 3.41Å; I28-W175 HydrophobicContact CD1-CD2 4.05Å; I28-W175 HydrophobicContact CD1-CG 3.77Å; I28-W175 HydrophobicContact CG2-CB 4.15Å; I28-W175 HydrophobicContact CG2-CD2 3.79Å; I28-W175 HydrophobicContact CG2-CE3 3.75Å; I28-W175 HydrophobicContact CG2-CG 3.97Å; I28-W175 HydrophobicContact CG2-CZ3 4.44Å; I28-T180 HydrophobicContact CG2-CG2 3.89Å; I28-M182 HydrophobicContact CD1-CE 3.59Å; I28-M182 HydrophobicContact CG1-CE 3.8Å; I28-M182 HydrophobicContact CG1-CG 4.15Å; I28-M182 HydrophobicContact CG2-CE 4.02Å
29	R	93.9	Very high	87.5	Confident	79 Å²	79	46.4 Å²	46.4	30%	0.298	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	122.1	178.9	-64.5	-172.3	-85.8	162.5	-23.8	111.1	H16 M27 Q32 T180 L181 E183	H16-R29 HydrophobicContact CB-CG 4.43Å; M27-R29 HydrophobicContact CE-CG 3.74Å; M27-R29 HydrophobicContact CG-CG 4.27Å; R29-Q32 HydrophobicContact CB-CG 3.54Å; R29-Q32 WeakPolarHBondContact O-CG 3.19Å; R29-T180 WeakPolarHBondContact O-CA 3.32Å; R29-L181 PolarHBondContact N-O 3.42Å; R29-L181 PolarHBondContact O-N 2.95Å; R29-E183 IonicContact CZ-OE2 3.59Å; R29-E183 IonicContact NE-OE2 2.72Å; R29-E183 PolarHBondContact NE-OE2 3.13Å; R29-E183 IonicContact NH2-OE1 3.46Å; R29-E183 IonicContact NH2-OE2 3.49Å; R29-E183 PolarHBondContact NH2-OE2 3.07Å
30	L	93.8	Very high	87.6	Confident	25 Å²	25	52.1 Å²	52.1	13%	0.131	30%	0.295	C	S	.	.	S	Bend	trans	-76.7	164.8	170.7	-60.7	-171.8	0	0	0	111.7	E14 S15 Q32 W175 K177 T180	E14-L30 WeakPolarHBondContact O-CD1 3.23Å; S15-L30 PolarHBondContact O-N 3.17Å; L30-Q32 PolarHBondContact O-N 3.24Å; L30-Q32 VanDerWaalsContact O-N 3.12Å; L30-Q32 PolarHBondContact O-NE2 2.89Å; L30-W175 HydrophobicContact CD1-CZ3 4.29Å; L30-W175 HydrophobicContact CD2-CE3 3.91Å; L30-W175 HydrophobicContact CD2-CZ3 4.31Å; L30-W175 HydrophobicContact CG-CE3 4.17Å; L30-W175 HydrophobicContact CG-CZ3 4.05Å; L30-K177 HydrophobicContact CD1-CD 4.32Å; L30-K177 HydrophobicContact CD2-CB 4.24Å; L30-K177 HydrophobicContact CD2-CD 4.27Å; L30-T180 HydrophobicContact CD2-CG2 3.94Å; L30-T180 WeakPolarHBondContact CD2-OG1 3.31Å
31	N	94	Very high	88.2	Confident	137 Å²	137	53.6 Å²	53.6	73%	0.733	30%	0.302	S	S	*	.	S	Bend	trans	55.3	28.4	171.4	-54.2	-41.2	0	0	0	115.2	G179	N31-G179 CarbonylContact C-O 3.57Å; N31-G179 PolarHBondContact N-O 2.91Å; N31-G179 VanDerWaalsContact N-O 3.08Å
32	Q	95.3	Very high	88.9	Confident	51 Å²	51	59 Å²	59	24%	0.238	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-84.2	148.7	175.6	-54.5	-57.7	-86.2	0	0	111	R29 L30 Y136 G179 L181	R29-Q32 HydrophobicContact CB-CG 3.54Å; R29-Q32 WeakPolarHBondContact O-CG 3.19Å; L30-Q32 PolarHBondContact O-N 3.24Å; L30-Q32 VanDerWaalsContact O-N 3.12Å; L30-Q32 PolarHBondContact O-NE2 2.89Å; Q32-Y136 WeakPolarHBondContact O-CE2 3.45Å; Q32-Y136 PolarHBondContact O-OH 2.86Å; Q32-G179 PolarHBondContact N-O 2.66Å; Q32-L181 HydrophobicContact CB-CB 3.89Å; Q32-L181 HydrophobicContact CG-CB 3.82Å
33	P	94.5	Very high	90.1	Very high	103 Å²	103	62.1 Å²	62.1	67%	0.669	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-67.7	163.3	167.2	31.9	-36	0	0	0	111	Y136	P33-Y136 WeakPolarHBondContact O-CE2 3.49Å
34	S	94	Very high	91	Very high	50 Å²	50	60.6 Å²	60.6	35%	0.35	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-53.7	129.1	169.8	172.3	0	0	0	0	110.5	I36 Y136	S34-I36 PolarHBondContact O-N 2.98Å; S34-I36 PolarHBondContact OG-N 3.08Å; S34-I36 PolarHBondContact OG-O 3.14Å; S34-Y136 PolarHBondContact N-OH 2.01Å
35	P	93.4	Very high	91.4	Very high	58 Å²	58	66.4 Å²	66.4	38%	0.377	36%	0.358	S	S	.	.	S	Bend	trans	-66.2	-19.5	175.5	28.1	-35.3	0	0	0	112.4	L126 Y136 L181	P35-L126 HydrophobicContact CB-CD2 4.03Å; P35-L126 HydrophobicContact CG-CD1 3.78Å; P35-L126 HydrophobicContact CG-CD2 3.83Å; P35-Y136 VanDerWaalsContact CD-CG 3.49Å; P35-Y136 HydrophobicContact CG-CG 4.32Å; P35-L181 HydrophobicContact CB-CD1 4.38Å; P35-L181 HydrophobicContact CG-CD1 4.03Å
36	I	90.4	Very high	91.6	Very high	25 Å²	25	70.6 Å²	70.6	13%	0.128	38%	0.383	C	S	.	.			trans	-104.4	107.5	173.8	-59.7	169	0	0	0	108.4	S34 F41 L107 A109 T124 L126	S34-I36 PolarHBondContact O-N 2.98Å; S34-I36 PolarHBondContact OG-N 3.08Å; S34-I36 PolarHBondContact OG-O 3.14Å; I36-F41 HydrophobicContact CD1-CE2 4.09Å; I36-F41 HydrophobicContact CD1-CZ 3.7Å; I36-F41 HydrophobicContact CG2-CE2 4.19Å; I36-L107 HydrophobicContact CD1-CD2 4.31Å; I36-L107 HydrophobicContact CG1-CD2 4.42Å; I36-A109 HydrophobicContact CD1-CB 3.6Å; I36-T124 HydrophobicContact CD1-CG2 4.28Å; I36-L126 HydrophobicContact CD1-CD2 4.01Å; I36-L126 HydrophobicContact CD1-CG 4.24Å; I36-L126 HydrophobicContact CG1-CD2 3.94Å
37	V	80.1	Confident	91.6	Very high	125 Å²	125	76 Å²	76	76%	0.758	41%	0.413	S	S	*	.	S	Bend	trans	-92.3	-41.9	174.4	-179.5	0	0	0	0	111
38	N	77.4	Confident	91.6	Very high	157 Å²	157	79.6 Å²	79.6	84%	0.84	43%	0.43	S	S	*	.	S	Bend	trans	-125.1	109.7	177.3	-67.8	-44.2	0	0	0	108.6
39	G	83.1	Confident	91.7	Very high	38 Å²	38	80.6 Å²	80.6	39%	0.392	43%	0.434	S	S	.	.			trans	-163.9	129.2	176.3	0	0	0	0	0	111	L102	G39-L102 VanDerWaalsContact CA-CD1 3.47Å
40	T	91.7	Very high	91.6	Very high	121 Å²	121	82.3 Å²	82.3	74%	0.742	45%	0.445	S	S	*	.			trans	-87.1	113.9	173.6	-55.4	0	0	0	0	108.1
41	F	95.9	Very high	91.4	Very high	32 Å²	32	83.3 Å²	83.3	14%	0.14	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-91.3	136	173.3	-81.1	-95.8	0	0	0	110.2	I36 E100 I101 L102 A109 R111 T124	I36-F41 HydrophobicContact CD1-CE2 4.09Å; I36-F41 HydrophobicContact CD1-CZ 3.7Å; I36-F41 HydrophobicContact CG2-CE2 4.19Å; F41-E100 HydrophobicContact CB-CB 4.1Å; F41-E100 HydrophobicContact CD1-CB 3.94Å; F41-E100 HydrophobicContact CG-CB 4.43Å; F41-I101 CarbonylContact C-O 3.53Å; F41-I101 WeakPolarHBondContact CA-O 3.33Å; F41-L102 HydrophobicContact CD1-CB 4.21Å; F41-L102 HydrophobicContact CE1-CB 4.14Å; F41-L102 HydrophobicContact CG-CB 4.46Å; F41-L102 HydrophobicContact CZ-CB 4.33Å; F41-A109 HydrophobicContact CE1-CB 4.24Å; F41-A109 HydrophobicContact CZ-CB 4.14Å; F41-R111 HydrophobicContact CD1-CB 4.07Å; F41-R111 VanDerWaalsContact CD2-NH1 3.28Å; F41-R111 HydrophobicContact CE1-CB 3.63Å; F41-R111 VanDerWaalsContact CE2-NH1 3.35Å; F41-R111 HydrophobicContact CZ-CB 4.27Å; F41-T124 HydrophobicContact CZ-CG2 4.24Å
42	E	96	Very high	91.5	Very high	141 Å²	141	77.4 Å²	77.4	66%	0.659	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.4	171.4	-63.1	-173	176.2	0	0	109.3	L44 E100 I101	E42-L44 PolarHBondContact O-N 2.62Å; E42-E100 CarbonylContact O-C 3.54Å; E42-E100 VanDerWaalsContact O-CA 3.26Å; E42-E100 WeakPolarHBondContact O-CA 3.46Å; E42-I101 HydrophobicContact CB-CG2 4.23Å; E42-I101 PolarHBondContact N-O 3.04Å; E42-I101 PolarHBondContact O-N 2.83Å
43	K	96.3	Very high	91.5	Very high	91 Å²	91	79 Å²	79	40%	0.396	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.6	176.7	172.9	170.8	177.7	164.7	0	110.5	Y45 E98	K43-Y45 HydrophobicContact CD-CE1 4.47Å; K43-Y45 HydrophobicContact CG-CE2 4.42Å; K43-E98 HydrophobicContact CD-CG 4.11Å; K43-E98 WeakPolarHBondContact CD-OE2 3.19Å; K43-E98 VanDerWaalsContact CE-OE2 3.31Å; K43-E98 WeakPolarHBondContact CE-OE2 3.3Å; K43-E98 HydrophobicContact CG-CG 4.38Å; K43-E98 IonicContact NZ-OE2 3.39Å; K43-E98 PolarHBondContact NZ-OE2 2.99Å
44	L	96.2	Very high	91.5	Very high	14 Å²	14	74.6 Å²	74.6	7%	0.073	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-83.1	151	171	-69.3	178.1	0	0	0	111.7	E42 Q48 F49 I52 I70 W99 I101 L110	E42-L44 PolarHBondContact O-N 2.62Å; L44-Q48 HydrophobicContact CD2-CB 3.96Å; L44-F49 HydrophobicContact CB-CD1 4.22Å; L44-F49 HydrophobicContact CB-CE1 3.94Å; L44-I52 HydrophobicContact CD1-CD1 3.88Å; L44-I70 HydrophobicContact CD1-CD1 3.47Å; L44-I70 VanDerWaalsContact CD1-CD1 3.47Å; L44-W99 HydrophobicContact CB-CB 4.19Å; L44-W99 HydrophobicContact CD1-CB 4.35Å; L44-W99 PolarHBondContact N-O 3.14Å; L44-I101 HydrophobicContact CD1-CB 4.03Å; L44-I101 HydrophobicContact CD1-CG2 4.32Å; L44-I101 HydrophobicContact CD2-CB 4.3Å; L44-I101 HydrophobicContact CD2-CG2 3.69Å; L44-I101 HydrophobicContact CG-CB 4.05Å; L44-I101 HydrophobicContact CG-CG2 3.84Å; L44-L110 HydrophobicContact CD1-CD2 4.34Å
45	Y	93.4	Very high	91.6	Very high	129 Å²	129	78.3 Å²	78.3	51%	0.506	43%	0.425	S	S	.	.			trans	-118.3	160.9	171.5	-61.5	-89.7	0	0	0	110	K43 D47 Q48 F49	K43-Y45 HydrophobicContact CD-CE1 4.47Å; K43-Y45 HydrophobicContact CG-CE2 4.42Å; Y45-D47 VanDerWaalsContact CB-OD1 3.23Å; Y45-D47 WeakPolarHBondContact CB-OD1 3.42Å; Y45-D47 PolarHBondContact O-N 3.44Å; Y45-D47 VanDerWaalsContact O-N 3.1Å; Y45-Q48 WeakPolarHBondContact O-CA 3.3Å; Y45-Q48 WeakPolarHBondContact O-CB 3.31Å; Y45-Q48 PolarHBondContact O-N 3.13Å; Y45-F49 WeakPolarHBondContact O-CD1 3.05Å; Y45-F49 WeakPolarHBondContact O-CE1 3.47Å; Y45-F49 PolarHBondContact O-N 3.23Å
46	T	90.7	Very high	91.6	Very high	89 Å²	89	76.8 Å²	76.8	55%	0.546	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-60.2	-25.7	-169.3	53.9	0	0	0	0	114.4	Q48 F49 E72	T46-Q48 VanDerWaalsContact C-N 3.3Å; T46-F49 HydrophobicContact CG2-CE2 4.32Å; T46-F49 HydrophobicContact CG2-CZ 4.36Å; T46-E72 VanDerWaalsContact CG2-OE1 3.3Å; T46-E72 WeakPolarHBondContact CG2-OE1 3.36Å
47	D	89.9	Confident	91.7	Very high	123 Å²	123	80.9 Å²	80.9	66%	0.658	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-72.8	-21.5	173	60.9	-49	0	0	0	113.4	Y45	Y45-D47 VanDerWaalsContact CB-OD1 3.23Å; Y45-D47 WeakPolarHBondContact CB-OD1 3.42Å; Y45-D47 PolarHBondContact O-N 3.44Å; Y45-D47 VanDerWaalsContact O-N 3.1Å
48	Q	91.3	Very high	92.2	Very high	84 Å²	84	75.2 Å²	75.2	39%	0.393	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-96.2	-2.8	179.8	-54.2	174	-18.7	0	0	112.9	L44 Y45 T46 Q50	L44-Q48 HydrophobicContact CD2-CB 3.96Å; Y45-Q48 WeakPolarHBondContact O-CA 3.3Å; Y45-Q48 WeakPolarHBondContact O-CB 3.31Å; Y45-Q48 PolarHBondContact O-N 3.13Å; T46-Q48 VanDerWaalsContact C-N 3.3Å; Q48-Q50 PolarHBondContact O-N 3.21Å
49	F	94.1	Very high	92.6	Very high	20 Å²	20	72.7 Å²	72.7	9%	0.088	39%	0.39	C	S	.	.	S	Bend	trans	-70.2	-8.9	178.5	-75.4	17.3	0	0	0	112.8	L44 Y45 T46 K69 I70 E72 W99	L44-F49 HydrophobicContact CB-CD1 4.22Å; L44-F49 HydrophobicContact CB-CE1 3.94Å; Y45-F49 WeakPolarHBondContact O-CD1 3.05Å; Y45-F49 WeakPolarHBondContact O-CE1 3.47Å; Y45-F49 PolarHBondContact O-N 3.23Å; T46-F49 HydrophobicContact CG2-CE2 4.32Å; T46-F49 HydrophobicContact CG2-CZ 4.36Å; F49-K69 CarbonylContact O-C 3.57Å; F49-K69 VanDerWaalsContact O-CA 3.31Å; F49-K69 WeakPolarHBondContact O-CA 3.15Å; F49-I70 HydrophobicContact CB-CD1 4.47Å; F49-I70 HydrophobicContact CB-CG1 3.68Å; F49-I70 HydrophobicContact CD1-CD1 3.74Å; F49-I70 HydrophobicContact CD1-CG1 3.88Å; F49-I70 HydrophobicContact CD2-CG1 4.05Å; F49-I70 HydrophobicContact CE1-CD1 4.11Å; F49-I70 HydrophobicContact CG-CD1 4.01Å; F49-I70 HydrophobicContact CG-CG1 3.6Å; F49-I70 PolarHBondContact O-N 2.86Å; F49-E72 HydrophobicContact CE2-CG 3.81Å; F49-W99 HydrophobicContact CE1-CB 4.24Å; F49-W99 AromaticContact CE2-CD1 3.95Å; F49-W99 HydrophobicContact CZ-CB 4.39Å; F49-W99 AromaticContact CZ-CD1 3.63Å; F49-W99 HydrophobicContact CZ-CG 4.37Å
50	Q	91.6	Very high	92.6	Very high	115 Å²	115	71.2 Å²	71.2	54%	0.537	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.8	-177.4	-62	-65.8	-53.9	0	0	110.4	Q48	Q48-Q50 PolarHBondContact O-N 3.21Å
51	G	90.1	Very high	91.9	Very high	47 Å²	47	65.9 Å²	65.9	49%	0.485	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.4	37.6	171.7	0	0	0	0	0	115	T53 L68	G51-T53 PolarHBondContact O-N 3.36Å; G51-L68 PolarHBondContact N-O 2.88Å
52	I	95.4	Very high	91.1	Very high	13 Å²	13	66.2 Å²	66.2	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	97.1	174.7	-58.9	173.9	0	0	0	108.8	L44 L68 I70 I101 L108 L110	L44-I52 HydrophobicContact CD1-CD1 3.88Å; I52-L68 HydrophobicContact CB-CB 4.36Å; I52-L68 PolarHBondContact N-O 2.93Å; I52-L68 WeakPolarHBondContact O-CD1 3.34Å; I52-L68 PolarHBondContact O-N 3.35Å; I52-I70 HydrophobicContact CD1-CD1 3.96Å; I52-I70 HydrophobicContact CD1-CG1 4.07Å; I52-I70 HydrophobicContact CD1-CG2 4.2Å; I52-I101 HydrophobicContact CG2-CD1 3.58Å; I52-L108 HydrophobicContact CG2-CD1 4.29Å; I52-L110 HydrophobicContact CD1-CD2 4.21Å
53	T	95.3	Very high	90.5	Very high	85 Å²	85	62 Å²	62	52%	0.521	34%	0.336	S	S	.	.			trans	-84.4	126.4	176	-66.6	0	0	0	0	111.3	G51 T66 N103	G51-T53 PolarHBondContact O-N 3.36Å; T53-T66 WeakPolarHBondContact CG2-O 3.3Å; T53-T66 PolarHBondContact OG1-O 3Å; T53-N103 PolarHBondContact O-ND2 3.46Å
54	P	95.2	Very high	90.3	Very high	10 Å²	10	61.8 Å²	61.8	7%	0.065	34%	0.34	C	S	.	.			trans	-61.1	144.8	171.1	-20.7	32.3	0	0	0	112	F56 L58 V65 L68 L108	P54-F56 HydrophobicContact CB-CD1 4.42Å; P54-F56 HydrophobicContact CB-CE1 4.21Å; P54-F56 HydrophobicContact CB-CE2 4.34Å; P54-F56 HydrophobicContact CB-CZ 4.17Å; P54-F56 PolarHBondContact O-N 2.96Å; P54-F56 VanDerWaalsContact O-N 3.14Å; P54-L58 HydrophobicContact CG-CD2 4.3Å; P54-V65 HydrophobicContact CG-CG1 4.4Å; P54-L68 HydrophobicContact CG-CD1 3.64Å; P54-L108 HydrophobicContact CG-CD2 4.13Å
55	K	95.3	Very high	90.1	Very high	128 Å²	128	61.9 Å²	61.9	56%	0.557	34%	0.341	S	S	*	.	S	Bend	trans	-74.2	7.8	175.2	-72.8	-176.5	-170.4	162	0	114.6	N103 D104	K55-N103 WeakPolarHBondContact CD-O 3.4Å; K55-N103 WeakPolarHBondContact CE-O 3.48Å; K55-N103 PolarHBondContact N-OD1 2.76Å; K55-N103 PolarHBondContact NZ-O 2.81Å; K55-D104 IonicContact NZ-OD1 3.23Å; K55-D104 PolarHBondContact NZ-OD1 3.11Å
56	F	94.2	Very high	90.2	Very high	25 Å²	25	59.1 Å²	59.1	11%	0.11	34%	0.337	C	S	.	.	S	Bend	trans	-144.8	154.5	-175.6	51.9	-89.4	0	0	0	110.7	P54 L58 D104 L108 I127	P54-F56 HydrophobicContact CB-CD1 4.42Å; P54-F56 HydrophobicContact CB-CE1 4.21Å; P54-F56 HydrophobicContact CB-CE2 4.34Å; P54-F56 HydrophobicContact CB-CZ 4.17Å; P54-F56 PolarHBondContact O-N 2.96Å; P54-F56 VanDerWaalsContact O-N 3.14Å; F56-L58 HydrophobicContact CD2-CB 4.11Å; F56-L58 HydrophobicContact CE2-CB 3.94Å; F56-L58 HydrophobicContact CE2-CD1 4.35Å; F56-L58 HydrophobicContact CE2-CG 4.48Å; F56-L58 PolarHBondContact O-N 3.46Å; F56-D104 VanDerWaalsContact CD1-O 3.32Å; F56-D104 WeakPolarHBondContact CD1-O 3.25Å; F56-D104 WeakPolarHBondContact CE1-O 3.17Å; F56-L108 HydrophobicContact CE1-CB 4.2Å; F56-L108 HydrophobicContact CZ-CB 4.07Å; F56-I127 WeakPolarHBondContact CZ-O 3.38Å
57	S	92.2	Very high	90.4	Very high	112 Å²	112	56.1 Å²	56.1	78%	0.783	32%	0.32	S	S	*	.			trans	-65.4	124.5	170.5	-57.4	0	0	0	0	109.9
58	L	90.2	Very high	90.7	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	29%	0.288	C	S	.	.			trans	-128.1	136.5	-178	168.9	65.7	0	0	0	108.8	P54 F56 V60 D64 V65 I127	P54-L58 HydrophobicContact CG-CD2 4.3Å; F56-L58 HydrophobicContact CD2-CB 4.11Å; F56-L58 HydrophobicContact CE2-CB 3.94Å; F56-L58 HydrophobicContact CE2-CD1 4.35Å; F56-L58 HydrophobicContact CE2-CG 4.48Å; F56-L58 PolarHBondContact O-N 3.46Å; L58-V60 HydrophobicContact CD1-CG2 4.29Å; L58-V60 HydrophobicContact CD2-CG2 4.19Å; L58-V60 HydrophobicContact CG-CG2 4.12Å; L58-D64 CarbonylContact O-C 3.58Å; L58-D64 WeakPolarHBondContact O-CA 3.38Å; L58-V65 HydrophobicContact CB-CB 4.27Å; L58-V65 HydrophobicContact CB-CG2 4.48Å; L58-V65 HydrophobicContact CD2-CB 4.03Å; L58-V65 HydrophobicContact CD2-CG1 4.28Å; L58-V65 HydrophobicContact CD2-CG2 3.89Å; L58-V65 HydrophobicContact CG-CB 4.18Å; L58-V65 HydrophobicContact CG-CG2 3.92Å; L58-V65 PolarHBondContact O-N 2.88Å; L58-I127 HydrophobicContact CD1-CG2 3.77Å; L58-I127 HydrophobicContact CD2-CG2 3.56Å; L58-I127 HydrophobicContact CG-CG2 4.33Å
59	K	87.2	Confident	90.9	Very high	105 Å²	105	48.8 Å²	48.8	46%	0.457	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.2	167.3	-77	177.7	172.4	-71.7	0	110.7	G62 T63 D64	K59-G62 WeakPolarHBondContact CD-O 3.22Å; K59-G62 PolarHBondContact NZ-O 3.44Å; K59-T63 CarbonylContact C-O 3.58Å; K59-T63 VanDerWaalsContact CA-O 3.27Å; K59-T63 WeakPolarHBondContact CA-O 3.38Å; K59-D64 WeakPolarHBondContact CE-OD1 3.4Å; K59-D64 VanDerWaalsContact CG-OD1 3.25Å; K59-D64 WeakPolarHBondContact CG-OD1 3.18Å; K59-D64 IonicContact NZ-OD1 2.97Å; K59-D64 PolarHBondContact NZ-OD1 2.8Å; K59-D64 IonicContact NZ-OD2 2.73Å; K59-D64 PolarHBondContact NZ-OD2 2.8Å
60	V	82	Confident	91	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.2	175.5	167.9	0	0	0	0	107.1	L58 G62 T63 V65 I78	L58-V60 HydrophobicContact CD1-CG2 4.29Å; L58-V60 HydrophobicContact CD2-CG2 4.19Å; L58-V60 HydrophobicContact CG-CG2 4.12Å; V60-G62 VanDerWaalsContact C-N 3.26Å; V60-G62 PolarHBondContact O-N 3.46Å; V60-T63 PolarHBondContact N-O 2.87Å; V60-T63 PolarHBondContact O-N 2.88Å; V60-T63 VanDerWaalsContact O-N 3.1Å; V60-V65 HydrophobicContact CB-CG2 3.86Å; V60-V65 HydrophobicContact CG2-CG2 3.71Å; V60-I78 HydrophobicContact CB-CG2 4.37Å; V60-I78 HydrophobicContact CG1-CD1 4.2Å; V60-I78 HydrophobicContact CG1-CG2 4.37Å; V60-I78 HydrophobicContact CG2-CG2 4.4Å
61	Y	77.3	Confident	91.1	Very high	9 Å²	9	44 Å²	44	4%	0.035	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	48	-170.2	-65.2	-87.9	0	0	0	112.9	H23 H24 T63 I153 G155 F157 V167	H23-Y61 HydrophobicContact CB-CD1 3.89Å; H23-Y61 HydrophobicContact CB-CE1 4.05Å; H24-Y61 AromaticContact CE1-CD1 3.69Å; H24-Y61 AromaticContact CE1-CD2 3.93Å; H24-Y61 AromaticContact CE1-CE1 3.37Å; H24-Y61 WeakPolarHBondContact CE1-CE1 3.4Å; H24-Y61 AromaticContact CE1-CE2 3.62Å; H24-Y61 AromaticContact CE1-CG 3.97Å; H24-Y61 AromaticContact CE1-CZ 3.34Å; H24-Y61 AromaticContact ND1-CE1 3.35Å; H24-Y61 VanDerWaalsContact ND1-CE1 3.35Å; H24-Y61 WeakPolarHBondContact ND1-CE1 3.29Å; H24-Y61 AromaticContact ND1-CZ 3.35Å; H24-Y61 PolarHBondContact ND1-OH 2.73Å; Y61-T63 PolarHBondContact O-N 2.84Å; Y61-T63 VanDerWaalsContact O-N 3.09Å; Y61-I153 HydrophobicContact CE2-CG2 4.21Å; Y61-G155 VanDerWaalsContact CD2-CA 3.48Å; Y61-F157 HydrophobicContact CD1-CD1 4.42Å; Y61-V167 HydrophobicContact CE1-CB 4.43Å
62	G	79.5	Confident	91.2	Very high	39 Å²	39	47.5 Å²	47.5	40%	0.402	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-29.7	-178.1	0	0	0	0	0	115.7	H23 K59 V60	H23-G62 PolarHBondContact NE2-N 2.97Å; K59-G62 WeakPolarHBondContact CD-O 3.22Å; K59-G62 PolarHBondContact NZ-O 3.44Å; V60-G62 VanDerWaalsContact C-N 3.26Å; V60-G62 PolarHBondContact O-N 3.46Å
63	T	83.5	Confident	90.8	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.319	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.1	-177.4	-50.7	0	0	0	0	112.4	K59 V60 Y61 S84	K59-T63 CarbonylContact C-O 3.58Å; K59-T63 VanDerWaalsContact CA-O 3.27Å; K59-T63 WeakPolarHBondContact CA-O 3.38Å; V60-T63 PolarHBondContact N-O 2.87Å; V60-T63 PolarHBondContact O-N 2.88Å; V60-T63 VanDerWaalsContact O-N 3.1Å; Y61-T63 PolarHBondContact O-N 2.84Å; Y61-T63 VanDerWaalsContact O-N 3.09Å; T63-S84 WeakPolarHBondContact CG2-OG 3.26Å
64	D	91.2	Very high	90.6	Very high	88 Å²	88	47.7 Å²	47.7	47%	0.471	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.7	173.6	-61.8	-79.2	0	0	0	111.1	L58 K59 G80	L58-D64 CarbonylContact O-C 3.58Å; L58-D64 WeakPolarHBondContact O-CA 3.38Å; K59-D64 WeakPolarHBondContact CE-OD1 3.4Å; K59-D64 VanDerWaalsContact CG-OD1 3.25Å; K59-D64 WeakPolarHBondContact CG-OD1 3.18Å; K59-D64 IonicContact NZ-OD1 2.97Å; K59-D64 PolarHBondContact NZ-OD1 2.8Å; K59-D64 IonicContact NZ-OD2 2.73Å; K59-D64 PolarHBondContact NZ-OD2 2.8Å; D64-G80 WeakPolarHBondContact O-CA 3.34Å
65	V	93.1	Very high	90.5	Very high	16 Å²	16	48.8 Å²	48.8	10%	0.097	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-87	122.8	-176.7	-179.5	0	0	0	0	110.5	P54 L58 V60 L68 I78 Y79	P54-V65 HydrophobicContact CG-CG1 4.4Å; L58-V65 HydrophobicContact CB-CB 4.27Å; L58-V65 HydrophobicContact CB-CG2 4.48Å; L58-V65 HydrophobicContact CD2-CB 4.03Å; L58-V65 HydrophobicContact CD2-CG1 4.28Å; L58-V65 HydrophobicContact CD2-CG2 3.89Å; L58-V65 HydrophobicContact CG-CB 4.18Å; L58-V65 HydrophobicContact CG-CG2 3.92Å; L58-V65 PolarHBondContact O-N 2.88Å; V60-V65 HydrophobicContact CB-CG2 3.86Å; V60-V65 HydrophobicContact CG2-CG2 3.71Å; V65-L68 HydrophobicContact CG1-CD1 3.85Å; V65-L68 HydrophobicContact CG1-CG 4.49Å; V65-I78 HydrophobicContact CB-CG2 4.38Å; V65-I78 HydrophobicContact CG1-CG2 3.82Å; V65-I78 HydrophobicContact CG2-CG2 3.61Å; V65-Y79 CarbonylContact C-O 3.48Å; V65-Y79 WeakPolarHBondContact CA-O 3.31Å
66	T	94.5	Very high	90.5	Very high	71 Å²	71	42.7 Å²	42.7	44%	0.436	24%	0.242	S	C	.	.			trans	-92.2	-36.3	175.6	64.9	0	0	0	0	111.9	T53 Y79 G80	T53-T66 WeakPolarHBondContact CG2-O 3.3Å; T53-T66 PolarHBondContact OG1-O 3Å; T66-Y79 PolarHBondContact N-O 2.93Å; T66-Y79 PolarHBondContact OG1-O 2.93Å; T66-G80 VanDerWaalsContact CG2-O 3.31Å; T66-G80 WeakPolarHBondContact CG2-O 3.22Å; T66-G80 PolarHBondContact OG1-O 3.32Å
67	S	95.2	Very high	90.6	Very high	25 Å²	25	43.7 Å²	43.7	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	156.4	-173.7	54.7	0	0	0	0	111.9	Y79	S67-Y79 PolarHBondContact N-O 2.94Å; S67-Y79 PolarHBondContact O-N 3.37Å
68	L	95.8	Very high	90.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	156.4	167.2	-62	82.5	0	0	0	109.1	G51 I52 P54 V65 I76 E77 I78 L108 L110 I127	G51-L68 PolarHBondContact N-O 2.88Å; I52-L68 HydrophobicContact CB-CB 4.36Å; I52-L68 PolarHBondContact N-O 2.93Å; I52-L68 WeakPolarHBondContact O-CD1 3.34Å; I52-L68 PolarHBondContact O-N 3.35Å; P54-L68 HydrophobicContact CG-CD1 3.64Å; V65-L68 HydrophobicContact CG1-CD1 3.85Å; V65-L68 HydrophobicContact CG1-CG 4.49Å; L68-I76 HydrophobicContact CB-CG2 4.44Å; L68-I76 HydrophobicContact CD2-CG2 3.79Å; L68-E77 CarbonylContact C-O 3.54Å; L68-E77 VanDerWaalsContact CA-O 3.22Å; L68-E77 WeakPolarHBondContact CA-O 3.42Å; L68-I78 HydrophobicContact CD2-CG1 4.22Å; L68-I78 HydrophobicContact CG-CG1 4.39Å; L68-L108 HydrophobicContact CD1-CD2 3.77Å; L68-L108 HydrophobicContact CD2-CD2 4.01Å; L68-L110 HydrophobicContact CD2-CD1 4.45Å; L68-I127 HydrophobicContact CD2-CD1 3.83Å
69	K	96	Very high	90.8	Very high	53 Å²	53	40.5 Å²	40.5	23%	0.23	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.2	165.6	-59.2	169.8	-177.5	168.3	0	108.7	F49 I76 E77 Y79	F49-K69 CarbonylContact O-C 3.57Å; F49-K69 VanDerWaalsContact O-CA 3.31Å; F49-K69 WeakPolarHBondContact O-CA 3.15Å; K69-I76 CarbonylContact O-C 3.58Å; K69-I76 VanDerWaalsContact O-CA 3.31Å; K69-I76 WeakPolarHBondContact O-CA 3.38Å; K69-E77 HydrophobicContact CB-CB 4.32Å; K69-E77 VanDerWaalsContact CD-OE2 3.3Å; K69-E77 WeakPolarHBondContact CD-OE2 3.48Å; K69-E77 PolarHBondContact N-O 2.94Å; K69-E77 IonicContact NZ-OE2 3.48Å; K69-E77 PolarHBondContact O-N 2.84Å; K69-Y79 HydrophobicContact CD-CD2 4.4Å; K69-Y79 HydrophobicContact CD-CE2 3.59Å; K69-Y79 HydrophobicContact CG-CD2 4.47Å; K69-Y79 HydrophobicContact CG-CE2 4.05Å; K69-Y79 VanDerWaalsContact NZ-CZ 3.32Å; K69-Y79 PolarHBondContact NZ-OH 3.11Å
70	I	96.4	Very high	90.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	165.3	174.6	61.8	176.9	0	0	0	110.8	L44 F49 I52 L75 I76 W99 L110	L44-I70 HydrophobicContact CD1-CD1 3.47Å; L44-I70 VanDerWaalsContact CD1-CD1 3.47Å; F49-I70 HydrophobicContact CB-CD1 4.47Å; F49-I70 HydrophobicContact CB-CG1 3.68Å; F49-I70 HydrophobicContact CD1-CD1 3.74Å; F49-I70 HydrophobicContact CD1-CG1 3.88Å; F49-I70 HydrophobicContact CD2-CG1 4.05Å; F49-I70 HydrophobicContact CE1-CD1 4.11Å; F49-I70 HydrophobicContact CG-CD1 4.01Å; F49-I70 HydrophobicContact CG-CG1 3.6Å; F49-I70 PolarHBondContact O-N 2.86Å; I52-I70 HydrophobicContact CD1-CD1 3.96Å; I52-I70 HydrophobicContact CD1-CG1 4.07Å; I52-I70 HydrophobicContact CD1-CG2 4.2Å; I70-L75 WeakPolarHBondContact CA-O 3.43Å; I70-I76 HydrophobicContact CG2-CB 4.31Å; I70-I76 HydrophobicContact CG2-CG1 4.04Å; I70-I76 HydrophobicContact CG2-CG2 4.02Å; I70-W99 HydrophobicContact CB-CZ2 4.34Å; I70-W99 HydrophobicContact CD1-CB 3.92Å; I70-W99 HydrophobicContact CD1-CD2 3.8Å; I70-W99 HydrophobicContact CD1-CE3 4.3Å; I70-W99 HydrophobicContact CD1-CG 3.65Å; I70-L110 HydrophobicContact CG2-CD1 4.08Å
71	T	93.5	Very high	91.1	Very high	33 Å²	33	44.6 Å²	44.6	20%	0.202	24%	0.24	C	C	.	.			trans	-130.4	165.6	-174	58.5	0	0	0	0	110.6	D73 G74 L75 W99	T71-D73 VanDerWaalsContact C-N 3.27Å; T71-D73 WeakPolarHBondContact CB-OD1 3.4Å; T71-D73 PolarHBondContact O-N 3.4Å; T71-D73 PolarHBondContact OG1-OD1 2.89Å; T71-G74 PolarHBondContact OG1-N 2.79Å; T71-L75 HydrophobicContact CG2-CB 4.01Å; T71-L75 PolarHBondContact N-O 2.84Å; T71-L75 VanDerWaalsContact N-O 3.14Å; T71-L75 WeakPolarHBondContact OG1-CA 3.42Å; T71-L75 WeakPolarHBondContact OG1-CB 3.27Å; T71-L75 PolarHBondContact OG1-N 2.85Å; T71-L75 PolarHBondContact OG1-O 3.37Å; T71-W99 PolarHBondContact O-NE1 2.79Å
72	E	91.2	Very high	91.6	Very high	121 Å²	121	49.3 Å²	49.3	57%	0.565	26%	0.26	S	S	*	.	S	Bend	trans	-73.2	-20.7	178.7	-71.7	-174.9	175	0	0	113.4	T46 F49 S97 W112	T46-E72 VanDerWaalsContact CG2-OE1 3.3Å; T46-E72 WeakPolarHBondContact CG2-OE1 3.36Å; F49-E72 HydrophobicContact CE2-CG 3.81Å; E72-S97 PolarHBondContact O-OG 2.7Å; E72-W112 WeakPolarHBondContact O-CZ2 3.19Å
73	D	88.5	Confident	92	Very high	102 Å²	102	50.4 Å²	50.4	55%	0.545	25%	0.254	S	S	.	.	S	Bend	trans	-105.2	-1.8	-170.1	58.6	-39.1	0	0	0	115.7	T71 W112	T71-D73 VanDerWaalsContact C-N 3.27Å; T71-D73 WeakPolarHBondContact CB-OD1 3.4Å; T71-D73 PolarHBondContact O-N 3.4Å; T71-D73 PolarHBondContact OG1-OD1 2.89Å; D73-W112 VanDerWaalsContact C-CH2 3.43Å; D73-W112 WeakPolarHBondContact O-CH2 3.37Å
74	G	91.2	Very high	92.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	127.9	-15.7	161.2	0	0	0	0	0	116.2	T71 W112	T71-G74 PolarHBondContact OG1-N 2.79Å; G74-W112 VanDerWaalsContact CA-CZ2 3.48Å
75	L	93.3	Very high	92.1	Very high	33 Å²	33	44 Å²	44	17%	0.173	22%	0.218	C	C	.	.			trans	-70.6	133.5	-178.9	-169.9	69.6	0	0	0	112.3	I70 T71 E77 E86 D88	I70-L75 WeakPolarHBondContact CA-O 3.43Å; T71-L75 HydrophobicContact CG2-CB 4.01Å; T71-L75 PolarHBondContact N-O 2.84Å; T71-L75 VanDerWaalsContact N-O 3.14Å; T71-L75 WeakPolarHBondContact OG1-CA 3.42Å; T71-L75 WeakPolarHBondContact OG1-CB 3.27Å; T71-L75 PolarHBondContact OG1-N 2.85Å; T71-L75 PolarHBondContact OG1-O 3.37Å; L75-E77 HydrophobicContact CD2-CG 3.93Å; L75-E77 HydrophobicContact CG-CG 4.26Å; L75-E86 HydrophobicContact CD1-CB 3.86Å; L75-E86 HydrophobicContact CD1-CG 4.13Å; L75-D88 HydrophobicContact CD1-CB 3.88Å
76	I	95.4	Very high	92.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	99.7	170.3	-49	171.7	0	0	0	108	L68 K69 I70 E86 I87 W99 L110 T125	L68-I76 HydrophobicContact CB-CG2 4.44Å; L68-I76 HydrophobicContact CD2-CG2 3.79Å; K69-I76 CarbonylContact O-C 3.58Å; K69-I76 VanDerWaalsContact O-CA 3.31Å; K69-I76 WeakPolarHBondContact O-CA 3.38Å; I70-I76 HydrophobicContact CG2-CB 4.31Å; I70-I76 HydrophobicContact CG2-CG1 4.04Å; I70-I76 HydrophobicContact CG2-CG2 4.02Å; I76-E86 CarbonylContact O-C 3.57Å; I76-E86 VanDerWaalsContact O-CA 3.27Å; I76-E86 WeakPolarHBondContact O-CA 3.23Å; I76-I87 HydrophobicContact CB-CB 4.2Å; I76-I87 HydrophobicContact CD1-CB 4.4Å; I76-I87 HydrophobicContact CD1-CG2 4.38Å; I76-I87 PolarHBondContact N-O 2.91Å; I76-I87 PolarHBondContact O-N 3.06Å; I76-W99 HydrophobicContact CD1-CH2 3.85Å; I76-W99 HydrophobicContact CD1-CZ3 4.22Å; I76-W99 HydrophobicContact CG1-CH2 3.7Å; I76-W99 HydrophobicContact CG1-CZ2 4.39Å; I76-W99 HydrophobicContact CG1-CZ3 4.41Å; I76-L110 HydrophobicContact CD1-CD1 4.07Å; I76-L110 HydrophobicContact CG2-CD1 3.95Å; I76-T125 HydrophobicContact CD1-CG2 3.97Å
77	E	94.4	Very high	92	Very high	45 Å²	45	42.4 Å²	42.4	21%	0.21	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.7	175.6	-57.5	-178.5	159.2	0	0	110.9	L68 K69 L75 Y79 F83	L68-E77 CarbonylContact C-O 3.54Å; L68-E77 VanDerWaalsContact CA-O 3.22Å; L68-E77 WeakPolarHBondContact CA-O 3.42Å; K69-E77 HydrophobicContact CB-CB 4.32Å; K69-E77 VanDerWaalsContact CD-OE2 3.3Å; K69-E77 WeakPolarHBondContact CD-OE2 3.48Å; K69-E77 PolarHBondContact N-O 2.94Å; K69-E77 IonicContact NZ-OE2 3.48Å; K69-E77 PolarHBondContact O-N 2.84Å; L75-E77 HydrophobicContact CD2-CG 3.93Å; L75-E77 HydrophobicContact CG-CG 4.26Å; E77-Y79 HydrophobicContact CB-CD2 4.29Å; E77-Y79 HydrophobicContact CB-CE2 3.53Å; E77-Y79 HydrophobicContact CG-CE2 4.46Å; E77-Y79 WeakPolarHBondContact OE2-CE2 3.45Å; E77-Y79 VanDerWaalsContact OE2-CZ 3.27Å; E77-Y79 PolarHBondContact OE2-OH 3.03Å; E77-F83 HydrophobicContact CB-CD2 4.46Å; E77-F83 HydrophobicContact CB-CE2 4.16Å; E77-F83 HydrophobicContact CG-CE2 4.26Å
78	I	93.9	Very high	91.8	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.4	-177.4	-54.5	177	0	0	0	109.9	V60 V65 L68 S84 G85 I87	V60-I78 HydrophobicContact CB-CG2 4.37Å; V60-I78 HydrophobicContact CG1-CD1 4.2Å; V60-I78 HydrophobicContact CG1-CG2 4.37Å; V60-I78 HydrophobicContact CG2-CG2 4.4Å; V65-I78 HydrophobicContact CB-CG2 4.38Å; V65-I78 HydrophobicContact CG1-CG2 3.82Å; V65-I78 HydrophobicContact CG2-CG2 3.61Å; L68-I78 HydrophobicContact CD2-CG1 4.22Å; L68-I78 HydrophobicContact CG-CG1 4.39Å; I78-S84 PolarHBondContact O-N 2.95Å; I78-G85 WeakPolarHBondContact CA-O 3.36Å; I78-G85 WeakPolarHBondContact CB-O 3.31Å; I78-G85 PolarHBondContact N-O 3.4Å; I78-G85 PolarHBondContact O-N 3.07Å; I78-I87 HydrophobicContact CD1-CD1 4.24Å; I78-I87 HydrophobicContact CD1-CG1 4.31Å
79	Y	92.8	Very high	91.6	Very high	47 Å²	47	43 Å²	43	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.4	-176	-68.8	-101.5	0	0	0	112.9	V65 T66 S67 K69 E77 K82 F83	V65-Y79 CarbonylContact C-O 3.48Å; V65-Y79 WeakPolarHBondContact CA-O 3.31Å; T66-Y79 PolarHBondContact N-O 2.93Å; T66-Y79 PolarHBondContact OG1-O 2.93Å; S67-Y79 PolarHBondContact N-O 2.94Å; S67-Y79 PolarHBondContact O-N 3.37Å; K69-Y79 HydrophobicContact CD-CD2 4.4Å; K69-Y79 HydrophobicContact CD-CE2 3.59Å; K69-Y79 HydrophobicContact CG-CD2 4.47Å; K69-Y79 HydrophobicContact CG-CE2 4.05Å; K69-Y79 VanDerWaalsContact NZ-CZ 3.32Å; K69-Y79 PolarHBondContact NZ-OH 3.11Å; E77-Y79 HydrophobicContact CB-CD2 4.29Å; E77-Y79 HydrophobicContact CB-CE2 3.53Å; E77-Y79 HydrophobicContact CG-CE2 4.46Å; E77-Y79 WeakPolarHBondContact OE2-CE2 3.45Å; E77-Y79 VanDerWaalsContact OE2-CZ 3.27Å; E77-Y79 PolarHBondContact OE2-OH 3.03Å; Y79-K82 CarbonylContact C-O 3.55Å; Y79-K82 WeakPolarHBondContact CA-O 3.49Å; Y79-F83 HydrophobicContact CD1-CB 4.27Å; Y79-F83 HydrophobicContact CE1-CB 3.97Å; Y79-F83 HydrophobicContact CE1-CD2 4.43Å; Y79-F83 HydrophobicContact CE2-CD2 4.42Å
80	G	89.7	Confident	91.1	Very high	6 Å²	6	44.5 Å²	44.5	6%	0.062	21%	0.213	C	C	.	.	S	Bend	trans	-94.3	-118.8	157.1	0	0	0	0	0	110.2	D64 T66 K82 S84	D64-G80 WeakPolarHBondContact O-CA 3.34Å; T66-G80 VanDerWaalsContact CG2-O 3.31Å; T66-G80 WeakPolarHBondContact CG2-O 3.22Å; T66-G80 PolarHBondContact OG1-O 3.32Å; G80-K82 VanDerWaalsContact C-N 3.32Å; G80-K82 PolarHBondContact N-O 3.06Å; G80-S84 PolarHBondContact N-OG 3.05Å; G80-S84 VanDerWaalsContact N-OG 3.1Å
81	E	86.5	Confident	90.5	Very high	191 Å²	191	44.9 Å²	44.9	89%	0.893	22%	0.216	S	C	*	.	S	Bend	trans	-74.1	-26.3	163.8	-60.9	-170.7	156	0	0	112.6
82	K	87.7	Confident	90	Very high	108 Å²	108	45.1 Å²	45.1	47%	0.47	22%	0.219	S	C	.	.	S	Bend	trans	-128.5	176.3	177.7	-52.1	173.3	-156	161.7	0	107.8	Y79 G80 S84 E158	Y79-K82 CarbonylContact C-O 3.55Å; Y79-K82 WeakPolarHBondContact CA-O 3.49Å; G80-K82 VanDerWaalsContact C-N 3.32Å; G80-K82 PolarHBondContact N-O 3.06Å; K82-S84 PolarHBondContact O-N 2.78Å; K82-S84 PolarHBondContact O-OG 2.87Å; K82-E158 IonicContact NZ-OE1 3.92Å; K82-E158 PolarHBondContact NZ-OE1 2.59Å; K82-E158 IonicContact NZ-OE2 3.68Å; K82-E158 PolarHBondContact NZ-OE2 2.86Å
83	F	88.5	Confident	89.7	Confident	62 Å²	62	43.1 Å²	43.1	27%	0.272	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	132.7	163	178.1	-88.1	0	0	0	109.9	E77 Y79 G85 E86 F154	E77-F83 HydrophobicContact CB-CD2 4.46Å; E77-F83 HydrophobicContact CB-CE2 4.16Å; E77-F83 HydrophobicContact CG-CE2 4.26Å; Y79-F83 HydrophobicContact CD1-CB 4.27Å; Y79-F83 HydrophobicContact CE1-CB 3.97Å; Y79-F83 HydrophobicContact CE1-CD2 4.43Å; Y79-F83 HydrophobicContact CE2-CD2 4.42Å; F83-G85 WeakPolarHBondContact CE2-O 3.46Å; F83-G85 WeakPolarHBondContact CZ-O 3.37Å; F83-E86 HydrophobicContact CE2-CB 4.18Å; F83-E86 HydrophobicContact CZ-CB 3.91Å; F83-E86 HydrophobicContact CZ-CG 3.94Å; F83-E86 WeakPolarHBondContact CZ-OE2 3.09Å; F83-F154 HydrophobicContact CE1-CD1 4.27Å; F83-F154 HydrophobicContact CE1-CE1 4.01Å
84	S	87.2	Confident	89.7	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-26.4	-175	-54	0	0	0	0	112.9	T63 I78 G80 K82 S156	T63-S84 WeakPolarHBondContact CG2-OG 3.26Å; I78-S84 PolarHBondContact O-N 2.95Å; G80-S84 PolarHBondContact N-OG 3.05Å; G80-S84 VanDerWaalsContact N-OG 3.1Å; K82-S84 PolarHBondContact O-N 2.78Å; K82-S84 PolarHBondContact O-OG 2.87Å; S84-S156 PolarHBondContact O-N 2.8Å; S84-S156 PolarHBondContact O-OG 3.44Å; S84-S156 VanDerWaalsContact O-OG 3.14Å
85	G	89.2	Confident	89.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-178.7	179.7	0	0	0	0	0	111.6	I78 F83 F154	I78-G85 WeakPolarHBondContact CA-O 3.36Å; I78-G85 WeakPolarHBondContact CB-O 3.31Å; I78-G85 PolarHBondContact N-O 3.4Å; I78-G85 PolarHBondContact O-N 3.07Å; F83-G85 WeakPolarHBondContact CE2-O 3.46Å; F83-G85 WeakPolarHBondContact CZ-O 3.37Å; G85-F154 CarbonylContact C-O 3.47Å; G85-F154 WeakPolarHBondContact CA-O 3.35Å
86	E	92.3	Very high	89.8	Confident	52 Å²	52	48.2 Å²	48.2	24%	0.243	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.2	179.2	57	-172.1	-161.3	0	0	111.1	L75 I76 F83 F154	L75-E86 HydrophobicContact CD1-CB 3.86Å; L75-E86 HydrophobicContact CD1-CG 4.13Å; I76-E86 CarbonylContact O-C 3.57Å; I76-E86 VanDerWaalsContact O-CA 3.27Å; I76-E86 WeakPolarHBondContact O-CA 3.23Å; F83-E86 HydrophobicContact CE2-CB 4.18Å; F83-E86 HydrophobicContact CZ-CB 3.91Å; F83-E86 HydrophobicContact CZ-CG 3.94Å; F83-E86 WeakPolarHBondContact CZ-OE2 3.09Å; E86-F154 HydrophobicContact CG-CB 3.68Å; E86-F154 HydrophobicContact CG-CD1 4.1Å; E86-F154 HydrophobicContact CG-CG 4.16Å; E86-F154 PolarHBondContact N-O 3.16Å; E86-F154 PolarHBondContact O-N 3.47Å
87	I	93.2	Very high	89.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.7	167.9	-61.8	167.9	0	0	0	106.4	I76 I78 T125 I127 I133 F135 E152 I153	I76-I87 HydrophobicContact CB-CB 4.2Å; I76-I87 HydrophobicContact CD1-CB 4.4Å; I76-I87 HydrophobicContact CD1-CG2 4.38Å; I76-I87 PolarHBondContact N-O 2.91Å; I76-I87 PolarHBondContact O-N 3.06Å; I78-I87 HydrophobicContact CD1-CD1 4.24Å; I78-I87 HydrophobicContact CD1-CG1 4.31Å; I87-T125 HydrophobicContact CD1-CG2 3.86Å; I87-I127 HydrophobicContact CD1-CD1 4.46Å; I87-I133 HydrophobicContact CD1-CD1 4.44Å; I87-I133 HydrophobicContact CD1-CG2 4.01Å; I87-F135 HydrophobicContact CD1-CE1 4.28Å; I87-F135 HydrophobicContact CG2-CE1 3.64Å; I87-F135 HydrophobicContact CG2-CZ 3.46Å; I87-F135 VanDerWaalsContact CG2-CZ 3.46Å; I87-E152 CarbonylContact C-O 3.6Å; I87-E152 WeakPolarHBondContact CA-O 3.5Å; I87-I153 HydrophobicContact CG1-CG1 4.32Å
88	D	91.8	Very high	89.8	Confident	36 Å²	36	51.4 Å²	51.4	19%	0.193	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	145.5	171.8	-172.6	22.6	0	0	0	110.3	L75 H90 S151 E152	L75-D88 HydrophobicContact CD1-CB 3.88Å; D88-H90 PolarHBondContact OD1-N 2.89Å; D88-S151 CarbonylContact O-C 3.48Å; D88-S151 VanDerWaalsContact O-CA 3.24Å; D88-S151 WeakPolarHBondContact O-CA 2.94Å; D88-E152 HydrophobicContact CB-CB 4.32Å; D88-E152 PolarHBondContact N-O 2.9Å; D88-E152 PolarHBondContact O-N 3.2Å
89	H	91.2	Very high	90	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	73.8	169.1	-65.2	-49.6	0	0	0	107.4	V91 W112 V123 T125 F135 S151	H89-V91 WeakPolarHBondContact O-CG2 3.42Å; H89-V91 PolarHBondContact O-N 2.78Å; H89-W112 HydrophobicContact CB-CE3 4.04Å; H89-W112 HydrophobicContact CB-CZ3 3.72Å; H89-W112 WeakPolarHBondContact O-CZ3 3.33Å; H89-V123 HydrophobicContact CB-CG1 4.31Å; H89-T125 PolarHBondContact CE1-OG1 2.92Å; H89-T125 PolarHBondContact NE2-OG1 2.93Å; H89-F135 AromaticContact CE1-CD1 3.89Å; H89-F135 AromaticContact CE1-CE1 3.81Å; H89-F135 AromaticContact CE1-CZ 3.87Å; H89-S151 PolarHBondContact ND1-OG 2.7Å
90	H	84.6	Confident	90.2	Very high	84 Å²	84	50.5 Å²	50.5	39%	0.389	26%	0.261	S	S	.	.			trans	-64.9	127.7	-176.8	-168.1	70.3	0	0	0	111.4	D88 S149 R150	D88-H90 PolarHBondContact OD1-N 2.89Å; H90-S149 WeakPolarHBondContact O-CA 3.45Å; H90-S149 WeakPolarHBondContact O-CB 3.15Å; H90-R150 HydrophobicContact CB-CB 4.44Å; H90-R150 WeakPolarHBondContact CB-O 3.44Å; H90-R150 PolarHBondContact N-O 3.34Å
91	V	85.1	Confident	90.5	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	26%	0.263	C	S	.	.			trans	-136.3	128	178	-170	0	0	0	0	111.1	H89 I94 W112 L114 L116 Y144	H89-V91 WeakPolarHBondContact O-CG2 3.42Å; H89-V91 PolarHBondContact O-N 2.78Å; V91-I94 HydrophobicContact CB-CD1 4.16Å; V91-I94 HydrophobicContact CB-CG1 4.2Å; V91-I94 HydrophobicContact CG1-CG1 4.17Å; V91-I94 WeakPolarHBondContact O-CD1 2.89Å; V91-W112 HydrophobicContact CB-CH2 4.2Å; V91-W112 HydrophobicContact CB-CZ3 4.46Å; V91-W112 HydrophobicContact CG2-CH2 3.7Å; V91-W112 HydrophobicContact CG2-CZ3 3.48Å; V91-W112 VanDerWaalsContact CG2-CZ3 3.48Å; V91-L114 HydrophobicContact CB-CD2 4.08Å; V91-L114 HydrophobicContact CG1-CD2 4.04Å; V91-L114 HydrophobicContact CG2-CD2 4.21Å; V91-L116 HydrophobicContact CG1-CD1 4.25Å; V91-L116 HydrophobicContact CG1-CD2 3.7Å; V91-Y144 HydrophobicContact CG1-CE2 3.98Å; V91-Y144 VanDerWaalsContact CG1-OH 3.32Å; V91-Y144 WeakPolarHBondContact CG1-OH 3.43Å; V91-Y144 WeakPolarHBondContact CG2-OH 3.45Å
92	S	83	Confident	91	Very high	38 Å²	38	42.7 Å²	42.7	27%	0.266	22%	0.224	S	C	.	.	S	Bend	trans	-89.9	168.1	171.5	-44.6	0	0	0	0	112.3	I94	S92-I94 VanDerWaalsContact C-N 3.31Å; S92-I94 PolarHBondContact O-N 3.4Å
93	D	84.6	Confident	91.4	Very high	80 Å²	80	39 Å²	39	43%	0.428	21%	0.209	S	C	.	.	S	Bend	trans	58.3	31.4	175.2	-62.6	-6.4	0	0	0	115.7	N95 L116 S117 Y147	D93-N95 PolarHBondContact O-N 2.87Å; D93-L116 WeakPolarHBondContact O-CA 3.42Å; D93-S117 PolarHBondContact O-N 2.63Å; D93-S117 PolarHBondContact OD2-OG 3.46Å; D93-Y147 WeakPolarHBondContact OD2-CE1 3.25Å; D93-Y147 PolarHBondContact OD2-OH 2.74Å
94	I	88.5	Confident	91.6	Very high	59 Å²	59	40 Å²	40	30%	0.303	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	121.4	176.2	-50.1	176.8	0	0	0	110.6	V91 S92 W112 L114 L116	V91-I94 HydrophobicContact CB-CD1 4.16Å; V91-I94 HydrophobicContact CB-CG1 4.2Å; V91-I94 HydrophobicContact CG1-CG1 4.17Å; V91-I94 WeakPolarHBondContact O-CD1 2.89Å; S92-I94 VanDerWaalsContact C-N 3.31Å; S92-I94 PolarHBondContact O-N 3.4Å; I94-W112 HydrophobicContact CD1-CH2 4.25Å; I94-W112 HydrophobicContact CD1-CZ2 4.19Å; I94-L114 HydrophobicContact CB-CD2 4.35Å; I94-L114 HydrophobicContact CD1-CD2 3.6Å; I94-L114 HydrophobicContact CG1-CD2 3.6Å; I94-L114 HydrophobicContact CG2-CD2 3.93Å; I94-L116 HydrophobicContact CG1-CD2 4.3Å
95	N	92.4	Very high	91.9	Very high	118 Å²	118	47 Å²	47	63%	0.631	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	-36.7	169.2	-68.3	-54	0	0	0	112.3	D93 Q115 L116 S117	D93-N95 PolarHBondContact O-N 2.87Å; N95-Q115 HydrophobicContact CB-CB 4.46Å; N95-Q115 WeakPolarHBondContact CB-O 3.5Å; N95-Q115 PolarHBondContact N-O 2.64Å; N95-L116 PolarHBondContact ND2-O 2.76Å; N95-S117 PolarHBondContact ND2-N 3.48Å
96	S	93.9	Very high	92.1	Very high	64 Å²	64	51.9 Å²	51.9	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	144.1	172.9	66.1	0	0	0	0	110.6	Q115	S96-Q115 PolarHBondContact N-O 2.84Å; S96-Q115 PolarHBondContact O-N 2.7Å; S96-Q115 WeakPolarHBondContact OG-CG 3.46Å
97	S	94.3	Very high	92.2	Very high	42 Å²	42	50.8 Å²	50.8	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	159.5	173.7	55.7	0	0	0	0	112.3	E72 S113	E72-S97 PolarHBondContact O-OG 2.7Å; S97-S113 CarbonylContact C-O 3.54Å; S97-S113 WeakPolarHBondContact CA-O 3.43Å
98	E	95.6	Very high	92.4	Very high	71 Å²	71	50.8 Å²	50.8	33%	0.332	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.6	174.6	180	167.5	99.3	0	0	109.3	K43 E100 W112 S113	K43-E98 HydrophobicContact CD-CG 4.11Å; K43-E98 WeakPolarHBondContact CD-OE2 3.19Å; K43-E98 VanDerWaalsContact CE-OE2 3.31Å; K43-E98 WeakPolarHBondContact CE-OE2 3.3Å; K43-E98 HydrophobicContact CG-CG 4.38Å; K43-E98 IonicContact NZ-OE2 3.39Å; K43-E98 PolarHBondContact NZ-OE2 2.99Å; E98-E100 HydrophobicContact CG-CG 4.4Å; E98-W112 WeakPolarHBondContact O-CA 3.24Å; E98-S113 PolarHBondContact N-O 2.65Å; E98-S113 PolarHBondContact O-N 3.01Å
99	W	97.5	Very high	92.6	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140	172.4	-77.9	103.4	0	0	0	111.3	L44 F49 I70 T71 I76 L110 R111 W112	L44-W99 HydrophobicContact CB-CB 4.19Å; L44-W99 HydrophobicContact CD1-CB 4.35Å; L44-W99 PolarHBondContact N-O 3.14Å; F49-W99 HydrophobicContact CE1-CB 4.24Å; F49-W99 AromaticContact CE2-CD1 3.95Å; F49-W99 HydrophobicContact CZ-CB 4.39Å; F49-W99 AromaticContact CZ-CD1 3.63Å; F49-W99 HydrophobicContact CZ-CG 4.37Å; I70-W99 HydrophobicContact CB-CZ2 4.34Å; I70-W99 HydrophobicContact CD1-CB 3.92Å; I70-W99 HydrophobicContact CD1-CD2 3.8Å; I70-W99 HydrophobicContact CD1-CE3 4.3Å; I70-W99 HydrophobicContact CD1-CG 3.65Å; T71-W99 PolarHBondContact O-NE1 2.79Å; I76-W99 HydrophobicContact CD1-CH2 3.85Å; I76-W99 HydrophobicContact CD1-CZ3 4.22Å; I76-W99 HydrophobicContact CG1-CH2 3.7Å; I76-W99 HydrophobicContact CG1-CZ2 4.39Å; I76-W99 HydrophobicContact CG1-CZ3 4.41Å; W99-L110 HydrophobicContact CE3-CB 4.16Å; W99-L110 HydrophobicContact CZ3-CB 3.78Å; W99-R111 CarbonylContact C-O 3.59Å; W99-R111 WeakPolarHBondContact CA-O 3.32Å; W99-W112 AromaticContact CD1-CD1 3.64Å; W99-W112 AromaticContact CD1-NE1 3.93Å; W99-W112 HydrophobicContact CD2-CB 3.97Å; W99-W112 AromaticContact CD2-CD1 3.5Å; W99-W112 VanDerWaalsContact CD2-CD1 3.5Å; W99-W112 AromaticContact CD2-CG 3.91Å; W99-W112 HydrophobicContact CD2-CG 3.91Å; W99-W112 AromaticContact CE2-CD1 3.27Å; W99-W112 AromaticContact CE2-CG 3.67Å; W99-W112 AromaticContact CE2-NE1 3.68Å; W99-W112 HydrophobicContact CE3-CB 3.72Å; W99-W112 HydrophobicContact CE3-CG 4.16Å; W99-W112 AromaticContact CG-CD1 3.76Å; W99-W112 HydrophobicContact CH2-CB 3.82Å; W99-W112 HydrophobicContact CH2-CD2 4.43Å; W99-W112 HydrophobicContact CH2-CG 4Å; W99-W112 HydrophobicContact CZ2-CB 4.07Å; W99-W112 AromaticContact CZ2-CD1 3.79Å; W99-W112 HydrophobicContact CZ2-CD2 4.03Å; W99-W112 AromaticContact CZ2-CG 3.75Å; W99-W112 HydrophobicContact CZ2-CG 3.75Å; W99-W112 HydrophobicContact CZ3-CB 3.63Å; W99-W112 HydrophobicContact CZ3-CG 4.2Å; W99-W112 AromaticContact NE1-CD1 3.34Å; W99-W112 VanDerWaalsContact NE1-CD1 3.34Å; W99-W112 AromaticContact NE1-NE1 3.39Å
100	E	97	Very high	92.9	Very high	28 Å²	28	49 Å²	49	13%	0.131	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.3	176.6	-52.4	171.5	80.5	0	0	109.3	F41 E42 E98 R111	F41-E100 HydrophobicContact CB-CB 4.1Å; F41-E100 HydrophobicContact CD1-CB 3.94Å; F41-E100 HydrophobicContact CG-CB 4.43Å; E42-E100 CarbonylContact O-C 3.54Å; E42-E100 VanDerWaalsContact O-CA 3.26Å; E42-E100 WeakPolarHBondContact O-CA 3.46Å; E98-E100 HydrophobicContact CG-CG 4.4Å; E100-R111 HydrophobicContact CB-CB 4.41Å; E100-R111 PolarHBondContact N-O 3.05Å; E100-R111 PolarHBondContact O-N 3.18Å; E100-R111 IonicContact OE1-CZ 2.62Å; E100-R111 IonicContact OE1-NE 3.59Å; E100-R111 IonicContact OE1-NH2 2.66Å; E100-R111 PolarHBondContact OE1-NH2 2.92Å; E100-R111 IonicContact OE2-CZ 2.7Å; E100-R111 VanDerWaalsContact OE2-CZ 3.26Å; E100-R111 IonicContact OE2-NE 3.2Å; E100-R111 PolarHBondContact OE2-NE 2.93Å; E100-R111 IonicContact OE2-NH2 3.44Å; E100-R111 PolarHBondContact OE2-NH2 2.86Å
101	I	97.5	Very high	93.5	Very high	20 Å²	20	47.8 Å²	47.8	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.9	-176.1	-169.8	167.4	0	0	0	111.9	F41 E42 L44 I52 N103 L108 A109 L110	F41-I101 CarbonylContact C-O 3.53Å; F41-I101 WeakPolarHBondContact CA-O 3.33Å; E42-I101 HydrophobicContact CB-CG2 4.23Å; E42-I101 PolarHBondContact N-O 3.04Å; E42-I101 PolarHBondContact O-N 2.83Å; L44-I101 HydrophobicContact CD1-CB 4.03Å; L44-I101 HydrophobicContact CD1-CG2 4.32Å; L44-I101 HydrophobicContact CD2-CB 4.3Å; L44-I101 HydrophobicContact CD2-CG2 3.69Å; L44-I101 HydrophobicContact CG-CB 4.05Å; L44-I101 HydrophobicContact CG-CG2 3.84Å; I52-I101 HydrophobicContact CG2-CD1 3.58Å; I101-N103 HydrophobicContact CD1-CB 4.06Å; I101-N103 HydrophobicContact CG1-CB 4.09Å; I101-L108 HydrophobicContact CD1-CD1 3.77Å; I101-L108 HydrophobicContact CG1-CD1 3.91Å; I101-A109 WeakPolarHBondContact CA-O 3.31Å; I101-L110 HydrophobicContact CB-CD2 4.15Å; I101-L110 HydrophobicContact CD1-CD2 3.9Å; I101-L110 HydrophobicContact CG1-CD2 3.85Å
102	L	96.7	Very high	94	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.4	155.5	178.3	158.6	0	0	0	106.2	G39 F41 D104 L107 L108 A109	G39-L102 VanDerWaalsContact CA-CD1 3.47Å; F41-L102 HydrophobicContact CD1-CB 4.21Å; F41-L102 HydrophobicContact CE1-CB 4.14Å; F41-L102 HydrophobicContact CG-CB 4.46Å; F41-L102 HydrophobicContact CZ-CB 4.33Å; L102-D104 HydrophobicContact CD2-CB 4.34Å; L102-L107 HydrophobicContact CD2-CD2 4.13Å; L102-L107 HydrophobicContact CD2-CG 4.19Å; L102-L108 CarbonylContact O-C 3.56Å; L102-L108 WeakPolarHBondContact O-CA 3.46Å; L102-A109 HydrophobicContact CB-CB 4.37Å; L102-A109 PolarHBondContact N-O 2.81Å; L102-A109 PolarHBondContact O-N 2.75Å
103	N	95.8	Very high	94.6	Very high	29 Å²	29	46.3 Å²	46.3	16%	0.155	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	102.5	-178.2	-179.9	3.8	0	0	0	107.3	T53 K55 I101 L108	T53-N103 PolarHBondContact O-ND2 3.46Å; K55-N103 WeakPolarHBondContact CD-O 3.4Å; K55-N103 WeakPolarHBondContact CE-O 3.48Å; K55-N103 PolarHBondContact N-OD1 2.76Å; K55-N103 PolarHBondContact NZ-O 2.81Å; I101-N103 HydrophobicContact CD1-CB 4.06Å; I101-N103 HydrophobicContact CG1-CB 4.09Å; N103-L108 HydrophobicContact CB-CD1 3.82Å
104	D	93.1	Very high	95	Very high	84 Å²	84	42.6 Å²	42.6	45%	0.449	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	171.5	-177.1	-77.3	-31.5	0	0	0	110.7	K55 F56 L102 N106 L107	K55-D104 IonicContact NZ-OD1 3.23Å; K55-D104 PolarHBondContact NZ-OD1 3.11Å; F56-D104 VanDerWaalsContact CD1-O 3.32Å; F56-D104 WeakPolarHBondContact CD1-O 3.25Å; F56-D104 WeakPolarHBondContact CE1-O 3.17Å; L102-D104 HydrophobicContact CD2-CB 4.34Å; D104-N106 PolarHBondContact O-N 3.39Å; D104-L107 PolarHBondContact N-O 2.87Å; D104-L107 PolarHBondContact O-N 3.1Å; D104-L107 VanDerWaalsContact O-N 3.14Å
105	E	93.5	Very high	95.3	Very high	152 Å²	152	44.5 Å²	44.5	71%	0.71	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-11.7	-170.2	-59.7	179.9	168.3	0	0	115.7
106	N	92.5	Very high	95.2	Very high	103 Å²	103	39.4 Å²	39.4	55%	0.551	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.2	-1	-180	-70	-79.6	0	0	0	114.9	D104 S129	D104-N106 PolarHBondContact O-N 3.39Å; N106-S129 WeakPolarHBondContact CA-OG 3.36Å; N106-S129 PolarHBondContact O-N 2.77Å; N106-S129 VanDerWaalsContact O-N 3.08Å; N106-S129 PolarHBondContact OD1-OG 3.17Å
107	L	94.9	Very high	94.9	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	123.3	-172.8	175.3	60.9	0	0	0	111.3	I36 L102 D104 A109 L126	I36-L107 HydrophobicContact CD1-CD2 4.31Å; I36-L107 HydrophobicContact CG1-CD2 4.42Å; L102-L107 HydrophobicContact CD2-CD2 4.13Å; L102-L107 HydrophobicContact CD2-CG 4.19Å; D104-L107 PolarHBondContact N-O 2.87Å; D104-L107 PolarHBondContact O-N 3.1Å; D104-L107 VanDerWaalsContact O-N 3.14Å; L107-A109 HydrophobicContact CD1-CB 4.32Å; L107-A109 HydrophobicContact CD2-CB 4.45Å; L107-A109 HydrophobicContact CG-CB 4.27Å; L107-L126 HydrophobicContact CD1-CB 3.85Å; L107-L126 HydrophobicContact CD1-CD2 4.1Å; L107-L126 HydrophobicContact CD1-CG 4.23Å; L107-L126 HydrophobicContact CD2-CD2 4.46Å
108	L	96.1	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.2	159.7	171	60.5	0	0	0	107.6	I52 P54 F56 L68 I101 L102 N103 L110 L126 I127	I52-L108 HydrophobicContact CG2-CD1 4.29Å; P54-L108 HydrophobicContact CG-CD2 4.13Å; F56-L108 HydrophobicContact CE1-CB 4.2Å; F56-L108 HydrophobicContact CZ-CB 4.07Å; L68-L108 HydrophobicContact CD1-CD2 3.77Å; L68-L108 HydrophobicContact CD2-CD2 4.01Å; I101-L108 HydrophobicContact CD1-CD1 3.77Å; I101-L108 HydrophobicContact CG1-CD1 3.91Å; L102-L108 CarbonylContact O-C 3.56Å; L102-L108 WeakPolarHBondContact O-CA 3.46Å; N103-L108 HydrophobicContact CB-CD1 3.82Å; L108-L110 HydrophobicContact CD1-CD2 4.35Å; L108-L110 HydrophobicContact CD1-CG 4.28Å; L108-L110 HydrophobicContact CG-CG 4.49Å; L108-L126 CarbonylContact O-C 3.58Å; L108-I127 HydrophobicContact CB-CB 4.45Å; L108-I127 PolarHBondContact N-O 3.09Å; L108-I127 PolarHBondContact O-N 3.47Å
109	A	97	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.3	173.3	0	0	0	0	0	110.2	I36 F41 I101 L102 L107 T124 T125 L126	I36-A109 HydrophobicContact CD1-CB 3.6Å; F41-A109 HydrophobicContact CE1-CB 4.24Å; F41-A109 HydrophobicContact CZ-CB 4.14Å; I101-A109 WeakPolarHBondContact CA-O 3.31Å; L102-A109 HydrophobicContact CB-CB 4.37Å; L102-A109 PolarHBondContact N-O 2.81Å; L102-A109 PolarHBondContact O-N 2.75Å; L107-A109 HydrophobicContact CD1-CB 4.32Å; L107-A109 HydrophobicContact CD2-CB 4.45Å; L107-A109 HydrophobicContact CG-CB 4.27Å; A109-T124 HydrophobicContact CB-CG2 4.42Å; A109-T125 CarbonylContact C-O 3.55Å; A109-T125 WeakPolarHBondContact CA-O 3.48Å; A109-L126 HydrophobicContact CB-CG 4.31Å
110	L	97.1	Very high	94	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115	174.3	-65.8	167.3	0	0	0	107.9	L44 I52 L68 I70 I76 W99 I101 L108 T124 T125	L44-L110 HydrophobicContact CD1-CD2 4.34Å; I52-L110 HydrophobicContact CD1-CD2 4.21Å; L68-L110 HydrophobicContact CD2-CD1 4.45Å; I70-L110 HydrophobicContact CG2-CD1 4.08Å; I76-L110 HydrophobicContact CD1-CD1 4.07Å; I76-L110 HydrophobicContact CG2-CD1 3.95Å; W99-L110 HydrophobicContact CE3-CB 4.16Å; W99-L110 HydrophobicContact CZ3-CB 3.78Å; I101-L110 HydrophobicContact CB-CD2 4.15Å; I101-L110 HydrophobicContact CD1-CD2 3.9Å; I101-L110 HydrophobicContact CG1-CD2 3.85Å; L108-L110 HydrophobicContact CD1-CD2 4.35Å; L108-L110 HydrophobicContact CD1-CG 4.28Å; L108-L110 HydrophobicContact CG-CG 4.49Å; L110-T124 WeakPolarHBondContact O-CA 3.49Å; L110-T125 PolarHBondContact N-O 2.9Å; L110-T125 PolarHBondContact O-N 2.96Å
111	R	96.7	Very high	93.7	Very high	57 Å²	57	39.7 Å²	39.7	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.7	176	-179.9	167.6	72.7	-145.2	2.3	109.6	F41 W99 E100 T124	F41-R111 HydrophobicContact CD1-CB 4.07Å; F41-R111 VanDerWaalsContact CD2-NH1 3.28Å; F41-R111 HydrophobicContact CE1-CB 3.63Å; F41-R111 VanDerWaalsContact CE2-NH1 3.35Å; F41-R111 HydrophobicContact CZ-CB 4.27Å; W99-R111 CarbonylContact C-O 3.59Å; W99-R111 WeakPolarHBondContact CA-O 3.32Å; E100-R111 HydrophobicContact CB-CB 4.41Å; E100-R111 PolarHBondContact N-O 3.05Å; E100-R111 PolarHBondContact O-N 3.18Å; E100-R111 IonicContact OE1-CZ 2.62Å; E100-R111 IonicContact OE1-NE 3.59Å; E100-R111 IonicContact OE1-NH2 2.66Å; E100-R111 PolarHBondContact OE1-NH2 2.92Å; E100-R111 IonicContact OE2-CZ 2.7Å; E100-R111 VanDerWaalsContact OE2-CZ 3.26Å; E100-R111 IonicContact OE2-NE 3.2Å; E100-R111 PolarHBondContact OE2-NE 2.93Å; E100-R111 IonicContact OE2-NH2 3.44Å; E100-R111 PolarHBondContact OE2-NH2 2.86Å; R111-T124 HydrophobicContact CB-CG2 4.17Å; R111-T124 WeakPolarHBondContact CG-OG1 2.96Å
112	W	96.2	Very high	93.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.5	175.8	-166.9	43.3	0	0	0	108.9	E72 D73 G74 H89 V91 I94 E98 W99 L114 K122 V123	E72-W112 WeakPolarHBondContact O-CZ2 3.19Å; D73-W112 VanDerWaalsContact C-CH2 3.43Å; D73-W112 WeakPolarHBondContact O-CH2 3.37Å; G74-W112 VanDerWaalsContact CA-CZ2 3.48Å; H89-W112 HydrophobicContact CB-CE3 4.04Å; H89-W112 HydrophobicContact CB-CZ3 3.72Å; H89-W112 WeakPolarHBondContact O-CZ3 3.33Å; V91-W112 HydrophobicContact CB-CH2 4.2Å; V91-W112 HydrophobicContact CB-CZ3 4.46Å; V91-W112 HydrophobicContact CG2-CH2 3.7Å; V91-W112 HydrophobicContact CG2-CZ3 3.48Å; V91-W112 VanDerWaalsContact CG2-CZ3 3.48Å; I94-W112 HydrophobicContact CD1-CH2 4.25Å; I94-W112 HydrophobicContact CD1-CZ2 4.19Å; E98-W112 WeakPolarHBondContact O-CA 3.24Å; W99-W112 AromaticContact CD1-CD1 3.64Å; W99-W112 AromaticContact CD1-NE1 3.93Å; W99-W112 HydrophobicContact CD2-CB 3.97Å; W99-W112 AromaticContact CD2-CD1 3.5Å; W99-W112 VanDerWaalsContact CD2-CD1 3.5Å; W99-W112 AromaticContact CD2-CG 3.91Å; W99-W112 HydrophobicContact CD2-CG 3.91Å; W99-W112 AromaticContact CE2-CD1 3.27Å; W99-W112 AromaticContact CE2-CG 3.67Å; W99-W112 AromaticContact CE2-NE1 3.68Å; W99-W112 HydrophobicContact CE3-CB 3.72Å; W99-W112 HydrophobicContact CE3-CG 4.16Å; W99-W112 AromaticContact CG-CD1 3.76Å; W99-W112 HydrophobicContact CH2-CB 3.82Å; W99-W112 HydrophobicContact CH2-CD2 4.43Å; W99-W112 HydrophobicContact CH2-CG 4Å; W99-W112 HydrophobicContact CZ2-CB 4.07Å; W99-W112 AromaticContact CZ2-CD1 3.79Å; W99-W112 HydrophobicContact CZ2-CD2 4.03Å; W99-W112 AromaticContact CZ2-CG 3.75Å; W99-W112 HydrophobicContact CZ2-CG 3.75Å; W99-W112 HydrophobicContact CZ3-CB 3.63Å; W99-W112 HydrophobicContact CZ3-CG 4.2Å; W99-W112 AromaticContact NE1-CD1 3.34Å; W99-W112 VanDerWaalsContact NE1-CD1 3.34Å; W99-W112 AromaticContact NE1-NE1 3.39Å; W112-L114 HydrophobicContact CD2-CD1 3.78Å; W112-L114 HydrophobicContact CD2-CD2 4.46Å; W112-L114 HydrophobicContact CD2-CG 4.22Å; W112-L114 HydrophobicContact CE3-CD1 3.71Å; W112-L114 HydrophobicContact CE3-CG 4.49Å; W112-L114 HydrophobicContact CG-CD1 4.32Å; W112-L114 HydrophobicContact CH2-CD1 4.29Å; W112-L114 HydrophobicContact CH2-CD2 3.68Å; W112-L114 HydrophobicContact CH2-CG 4.42Å; W112-L114 HydrophobicContact CZ2-CD1 4.4Å; W112-L114 HydrophobicContact CZ2-CD2 3.61Å; W112-L114 HydrophobicContact CZ2-CG 4.19Å; W112-L114 HydrophobicContact CZ3-CD1 3.96Å; W112-L114 HydrophobicContact CZ3-CD2 4.17Å; W112-K122 WeakPolarHBondContact O-CA 3.48Å; W112-V123 HydrophobicContact CB-CG1 4.09Å; W112-V123 HydrophobicContact CE3-CG1 3.83Å; W112-V123 PolarHBondContact N-O 2.89Å; W112-V123 PolarHBondContact O-N 3.14Å; W112-V123 VanDerWaalsContact O-N 3.11Å
113	S	95.5	Very high	93.5	Very high	18 Å²	18	41.1 Å²	41.1	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.2	180	-67.7	0	0	0	0	109.6	S97 E98 K122	S97-S113 CarbonylContact C-O 3.54Å; S97-S113 WeakPolarHBondContact CA-O 3.43Å; E98-S113 PolarHBondContact N-O 2.65Å; E98-S113 PolarHBondContact O-N 3.01Å; S113-K122 WeakPolarHBondContact OG-CE 3.37Å
114	L	94.1	Very high	93.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146	179.1	-55	98.2	0	0	0	112.2	V91 I94 W112 L116 T120 F121	V91-L114 HydrophobicContact CB-CD2 4.08Å; V91-L114 HydrophobicContact CG1-CD2 4.04Å; V91-L114 HydrophobicContact CG2-CD2 4.21Å; I94-L114 HydrophobicContact CB-CD2 4.35Å; I94-L114 HydrophobicContact CD1-CD2 3.6Å; I94-L114 HydrophobicContact CG1-CD2 3.6Å; I94-L114 HydrophobicContact CG2-CD2 3.93Å; W112-L114 HydrophobicContact CD2-CD1 3.78Å; W112-L114 HydrophobicContact CD2-CD2 4.46Å; W112-L114 HydrophobicContact CD2-CG 4.22Å; W112-L114 HydrophobicContact CE3-CD1 3.71Å; W112-L114 HydrophobicContact CE3-CG 4.49Å; W112-L114 HydrophobicContact CG-CD1 4.32Å; W112-L114 HydrophobicContact CH2-CD1 4.29Å; W112-L114 HydrophobicContact CH2-CD2 3.68Å; W112-L114 HydrophobicContact CH2-CG 4.42Å; W112-L114 HydrophobicContact CZ2-CD1 4.4Å; W112-L114 HydrophobicContact CZ2-CD2 3.61Å; W112-L114 HydrophobicContact CZ2-CG 4.19Å; W112-L114 HydrophobicContact CZ3-CD1 3.96Å; W112-L114 HydrophobicContact CZ3-CD2 4.17Å; L114-L116 HydrophobicContact CB-CD2 3.88Å; L114-L116 HydrophobicContact CB-CG 4.44Å; L114-L116 HydrophobicContact CD2-CD2 4.15Å; L114-T120 VanDerWaalsContact O-CA 3.3Å; L114-T120 WeakPolarHBondContact O-CA 3.43Å; L114-F121 HydrophobicContact CB-CB 4.48Å; L114-F121 HydrophobicContact CD1-CB 4.32Å; L114-F121 HydrophobicContact CD1-CD1 3.59Å; L114-F121 HydrophobicContact CD1-CE1 4.39Å; L114-F121 HydrophobicContact CD1-CG 4.4Å; L114-F121 PolarHBondContact N-O 3.39Å; L114-F121 PolarHBondContact O-N 2.78Å
115	Q	93.7	Very high	93.7	Very high	99 Å²	99	36.4 Å²	36.4	46%	0.463	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.8	158.4	-59.4	-64.5	-23.5	0	0	107.8	N95 S96	N95-Q115 HydrophobicContact CB-CB 4.46Å; N95-Q115 WeakPolarHBondContact CB-O 3.5Å; N95-Q115 PolarHBondContact N-O 2.64Å; S96-Q115 PolarHBondContact N-O 2.84Å; S96-Q115 PolarHBondContact O-N 2.7Å; S96-Q115 WeakPolarHBondContact OG-CG 3.46Å
116	L	89.9	Confident	93.8	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.058	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	171.9	177.4	-53.4	-175.5	0	0	0	110.7	V91 D93 I94 N95 L114 N118 G119 F121 P141 Y144	V91-L116 HydrophobicContact CG1-CD1 4.25Å; V91-L116 HydrophobicContact CG1-CD2 3.7Å; D93-L116 WeakPolarHBondContact O-CA 3.42Å; I94-L116 HydrophobicContact CG1-CD2 4.3Å; N95-L116 PolarHBondContact ND2-O 2.76Å; L114-L116 HydrophobicContact CB-CD2 3.88Å; L114-L116 HydrophobicContact CB-CG 4.44Å; L114-L116 HydrophobicContact CD2-CD2 4.15Å; L116-N118 PolarHBondContact O-N 2.95Å; L116-N118 VanDerWaalsContact O-N 3.17Å; L116-G119 WeakPolarHBondContact CA-O 3.42Å; L116-G119 WeakPolarHBondContact CB-O 3.16Å; L116-G119 PolarHBondContact N-O 3.09Å; L116-F121 HydrophobicContact CD1-CB 3.75Å; L116-F121 HydrophobicContact CG-CB 4.21Å; L116-P141 HydrophobicContact CD1-CG 4.36Å; L116-Y144 HydrophobicContact CD1-CD2 4.05Å; L116-Y144 HydrophobicContact CD1-CE2 3.76Å
117	S	87.3	Confident	93.9	Very high	74 Å²	74	24.5 Å²	24.5	52%	0.517	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.8	173.6	66.7	0	0	0	0	114.1	D93 N95	D93-S117 PolarHBondContact O-N 2.63Å; D93-S117 PolarHBondContact OD2-OG 3.46Å; N95-S117 PolarHBondContact ND2-N 3.48Å
118	N	85.9	Confident	93.9	Very high	59 Å²	59	25.4 Å²	25.4	32%	0.316	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	2.4	-166.8	61.5	22.7	0	0	0	114.8	L116 P141	L116-N118 PolarHBondContact O-N 2.95Å; L116-N118 VanDerWaalsContact O-N 3.17Å; N118-P141 VanDerWaalsContact OD1-CG 3.25Å; N118-P141 WeakPolarHBondContact OD1-CG 3.48Å
119	G	90.4	Very high	93.7	Very high	32 Å²	32	27.6 Å²	27.6	33%	0.33	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	159.1	-170.3	-177.7	0	0	0	0	0	112.1	L116	L116-G119 WeakPolarHBondContact CA-O 3.42Å; L116-G119 WeakPolarHBondContact CB-O 3.16Å; L116-G119 PolarHBondContact N-O 3.09Å
120	T	92.6	Very high	93.2	Very high	47 Å²	47	33 Å²	33	29%	0.288	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	154.9	163.8	46.7	0	0	0	0	110.7	L114 N139	L114-T120 VanDerWaalsContact O-CA 3.3Å; L114-T120 WeakPolarHBondContact O-CA 3.43Å; T120-N139 WeakPolarHBondContact OG1-CB 3.43Å
121	F	92.1	Very high	92.7	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.9	163	178.9	-81.9	0	0	0	108.9	L114 L116 V123 Y137 V140 Y144 V176	L114-F121 HydrophobicContact CB-CB 4.48Å; L114-F121 HydrophobicContact CD1-CB 4.32Å; L114-F121 HydrophobicContact CD1-CD1 3.59Å; L114-F121 HydrophobicContact CD1-CE1 4.39Å; L114-F121 HydrophobicContact CD1-CG 4.4Å; L114-F121 PolarHBondContact N-O 3.39Å; L114-F121 PolarHBondContact O-N 2.78Å; L116-F121 HydrophobicContact CD1-CB 3.75Å; L116-F121 HydrophobicContact CG-CB 4.21Å; F121-V123 HydrophobicContact CE1-CB 3.91Å; F121-V123 HydrophobicContact CE1-CG1 4.11Å; F121-Y137 HydrophobicContact CE1-CD1 4.38Å; F121-Y137 HydrophobicContact CE2-CD1 4.41Å; F121-Y137 AromaticContact CZ-CD1 3.68Å; F121-Y137 HydrophobicContact CZ-CD1 3.68Å; F121-Y137 HydrophobicContact CZ-CE1 4.06Å; F121-V140 HydrophobicContact CD2-CB 4.2Å; F121-V140 HydrophobicContact CD2-CG1 3.95Å; F121-V140 HydrophobicContact CD2-CG2 3.9Å; F121-V140 HydrophobicContact CE2-CB 4.28Å; F121-V140 HydrophobicContact CE2-CG1 3.88Å; F121-V140 HydrophobicContact CE2-CG2 3.68Å; F121-Y144 HydrophobicContact CD2-CD1 4.28Å; F121-Y144 AromaticContact CD2-CD2 3.95Å; F121-Y144 HydrophobicContact CD2-CD2 3.95Å; F121-Y144 AromaticContact CD2-CE1 3.95Å; F121-Y144 HydrophobicContact CD2-CE1 3.95Å; F121-Y144 AromaticContact CD2-CE2 3.59Å; F121-Y144 HydrophobicContact CD2-CE2 3.59Å; F121-Y144 HydrophobicContact CD2-CG 4.27Å; F121-Y144 AromaticContact CD2-CZ 3.58Å; F121-Y144 AromaticContact CE2-CD1 3.8Å; F121-Y144 HydrophobicContact CE2-CD1 3.8Å; F121-Y144 HydrophobicContact CE2-CD2 4.27Å; F121-Y144 AromaticContact CE2-CE1 3.29Å; F121-Y144 HydrophobicContact CE2-CE1 3.29Å; F121-Y144 AromaticContact CE2-CE2 3.83Å; F121-Y144 HydrophobicContact CE2-CE2 3.83Å; F121-Y144 HydrophobicContact CE2-CG 4.25Å; F121-Y144 AromaticContact CE2-CZ 3.3Å; F121-Y144 HydrophobicContact CG-CE2 4.28Å; F121-Y144 AromaticContact CZ-CE1 3.91Å; F121-Y144 HydrophobicContact CZ-CE1 3.91Å; F121-Y144 AromaticContact CZ-CZ 3.84Å; F121-V176 HydrophobicContact CE2-CG1 3.85Å; F121-V176 HydrophobicContact CZ-CG1 4.07Å
122	K	94.3	Very high	92.4	Very high	62 Å²	62	32.4 Å²	32.4	27%	0.27	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.3	170.3	-59.5	-168.5	177.9	-167.8	0	110.8	W112 S113 D138	W112-K122 WeakPolarHBondContact O-CA 3.48Å; S113-K122 WeakPolarHBondContact OG-CE 3.37Å; K122-D138 HydrophobicContact CB-CB 4.22Å; K122-D138 PolarHBondContact N-O 2.8Å; K122-D138 PolarHBondContact O-N 3.1Å
123	V	94.6	Very high	92.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.9	162.6	60.3	0	0	0	0	108.6	H89 W112 F121 F135 Y136 Y137	H89-V123 HydrophobicContact CB-CG1 4.31Å; W112-V123 HydrophobicContact CB-CG1 4.09Å; W112-V123 HydrophobicContact CE3-CG1 3.83Å; W112-V123 PolarHBondContact N-O 2.89Å; W112-V123 PolarHBondContact O-N 3.14Å; W112-V123 VanDerWaalsContact O-N 3.11Å; F121-V123 HydrophobicContact CE1-CB 3.91Å; F121-V123 HydrophobicContact CE1-CG1 4.11Å; V123-F135 HydrophobicContact CG2-CB 4.47Å; V123-Y136 CarbonylContact C-O 3.6Å; V123-Y136 WeakPolarHBondContact CA-O 3.34Å; V123-Y137 HydrophobicContact CB-CD1 4.07Å; V123-Y137 HydrophobicContact CB-CE1 4.15Å; V123-Y137 HydrophobicContact CG2-CD1 3.93Å; V123-Y137 HydrophobicContact CG2-CE1 3.71Å
124	T	96.4	Very high	92.3	Very high	13 Å²	13	32 Å²	32	8%	0.08	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.6	170.7	-53.2	0	0	0	0	108.3	I36 F41 A109 L110 R111 L126 F135 Y136	I36-T124 HydrophobicContact CD1-CG2 4.28Å; F41-T124 HydrophobicContact CZ-CG2 4.24Å; A109-T124 HydrophobicContact CB-CG2 4.42Å; L110-T124 WeakPolarHBondContact O-CA 3.49Å; R111-T124 HydrophobicContact CB-CG2 4.17Å; R111-T124 WeakPolarHBondContact CG-OG1 2.96Å; T124-L126 HydrophobicContact CG2-CD1 3.98Å; T124-F135 CarbonylContact O-C 3.56Å; T124-F135 WeakPolarHBondContact O-CA 3.4Å; T124-Y136 PolarHBondContact N-O 3.28Å; T124-Y136 PolarHBondContact O-N 2.84Å
125	T	96.7	Very high	92.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.5	178.2	-74.7	0	0	0	0	109	I76 I87 H89 A109 L110 I127 S134 F135	I76-T125 HydrophobicContact CD1-CG2 3.97Å; I87-T125 HydrophobicContact CD1-CG2 3.86Å; H89-T125 PolarHBondContact CE1-OG1 2.92Å; H89-T125 PolarHBondContact NE2-OG1 2.93Å; A109-T125 CarbonylContact C-O 3.55Å; A109-T125 WeakPolarHBondContact CA-O 3.48Å; L110-T125 PolarHBondContact N-O 2.9Å; L110-T125 PolarHBondContact O-N 2.96Å; T125-I127 HydrophobicContact CG2-CG1 4.39Å; T125-S134 WeakPolarHBondContact CA-O 3.21Å; T125-F135 HydrophobicContact CG2-CD1 4.04Å; T125-F135 HydrophobicContact CG2-CE1 3.81Å; T125-F135 WeakPolarHBondContact OG1-CD1 3.46Å; T125-F135 WeakPolarHBondContact OG1-CE1 3.49Å
126	L	96	Very high	92.5	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.5	178.2	-63.2	86.3	0	0	0	108.9	P35 I36 L107 L108 A109 T124 I133 S134	P35-L126 HydrophobicContact CB-CD2 4.03Å; P35-L126 HydrophobicContact CG-CD1 3.78Å; P35-L126 HydrophobicContact CG-CD2 3.83Å; I36-L126 HydrophobicContact CD1-CD2 4.01Å; I36-L126 HydrophobicContact CD1-CG 4.24Å; I36-L126 HydrophobicContact CG1-CD2 3.94Å; L107-L126 HydrophobicContact CD1-CB 3.85Å; L107-L126 HydrophobicContact CD1-CD2 4.1Å; L107-L126 HydrophobicContact CD1-CG 4.23Å; L107-L126 HydrophobicContact CD2-CD2 4.46Å; L108-L126 CarbonylContact O-C 3.58Å; A109-L126 HydrophobicContact CB-CG 4.31Å; T124-L126 HydrophobicContact CG2-CD1 3.98Å; L126-I133 CarbonylContact O-C 3.57Å; L126-I133 VanDerWaalsContact O-CA 3.28Å; L126-I133 WeakPolarHBondContact O-CA 3.39Å; L126-S134 WeakPolarHBondContact CD1-O 3.49Å; L126-S134 PolarHBondContact N-O 3.4Å; L126-S134 PolarHBondContact O-N 3.48Å
127	I	95.1	Very high	92.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	113.2	173.8	-52.2	178.9	0	0	0	106.8	F56 L58 L68 I87 L108 T125 I133	F56-I127 WeakPolarHBondContact CZ-O 3.38Å; L58-I127 HydrophobicContact CD1-CG2 3.77Å; L58-I127 HydrophobicContact CD2-CG2 3.56Å; L58-I127 HydrophobicContact CG-CG2 4.33Å; L68-I127 HydrophobicContact CD2-CD1 3.83Å; I87-I127 HydrophobicContact CD1-CD1 4.46Å; L108-I127 HydrophobicContact CB-CB 4.45Å; L108-I127 PolarHBondContact N-O 3.09Å; L108-I127 PolarHBondContact O-N 3.47Å; T125-I127 HydrophobicContact CG2-CG1 4.39Å; I127-I133 HydrophobicContact CG1-CG1 4.38Å; I127-I133 HydrophobicContact CG2-CG1 4.35Å
128	H	93.5	Very high	93	Very high	49 Å²	49	26.8 Å²	26.8	23%	0.227	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	156.5	-175.6	-67.5	-87.2	0	0	0	111.9	N130 G131 K132	H128-N130 WeakPolarHBondContact CB-OD1 3.37Å; H128-N130 PolarHBondContact O-N 2.82Å; H128-N130 VanDerWaalsContact O-N 3.1Å; H128-G131 PolarHBondContact O-N 2.72Å; H128-K132 HydrophobicContact CB-CB 4.24Å; H128-K132 PolarHBondContact CD2-O 2.83Å; H128-K132 PolarHBondContact N-O 3.38Å
129	S	91.8	Very high	93.3	Very high	46 Å²	46	27.4 Å²	27.4	32%	0.322	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.6	177	51.4	0	0	0	0	115.1	N106	N106-S129 WeakPolarHBondContact CA-OG 3.36Å; N106-S129 PolarHBondContact O-N 2.77Å; N106-S129 VanDerWaalsContact O-N 3.08Å; N106-S129 PolarHBondContact OD1-OG 3.17Å
130	N	87	Confident	93.2	Very high	114 Å²	114	26.7 Å²	26.7	61%	0.61	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	6.7	171.4	72.9	-18	0	0	0	113.9	H128 K132	H128-N130 WeakPolarHBondContact CB-OD1 3.37Å; H128-N130 PolarHBondContact O-N 2.82Å; H128-N130 VanDerWaalsContact O-N 3.1Å; N130-K132 VanDerWaalsContact C-N 3.33Å; N130-K132 PolarHBondContact O-N 2.98Å; N130-K132 WeakPolarHBondContact OD1-CB 3.14Å; N130-K132 PolarHBondContact OD1-N 3.02Å; N130-K132 VanDerWaalsContact OD1-N 3.07Å
131	G	88	Confident	92.9	Very high	8 Å²	8	25.3 Å²	25.3	8%	0.082	14%	0.135	C	C	.	.	S	Bend	trans	81.5	1.7	-177.4	0	0	0	0	0	115.1	H128 I133	H128-G131 PolarHBondContact O-N 2.72Å; G131-I133 PolarHBondContact O-N 2.63Å
132	K	90.4	Very high	91.8	Very high	38 Å²	38	36.3 Å²	36.3	17%	0.165	18%	0.177	C	C	.	.			trans	-67.5	128.5	170.8	-178.9	166.1	85	170.9	0	110.3	H128 N130 E183 Y184 E185	H128-K132 HydrophobicContact CB-CB 4.24Å; H128-K132 PolarHBondContact CD2-O 2.83Å; H128-K132 PolarHBondContact N-O 3.38Å; N130-K132 VanDerWaalsContact C-N 3.33Å; N130-K132 PolarHBondContact O-N 2.98Å; N130-K132 WeakPolarHBondContact OD1-CB 3.14Å; N130-K132 PolarHBondContact OD1-N 3.02Å; N130-K132 VanDerWaalsContact OD1-N 3.07Å; K132-E183 HydrophobicContact CD-CB 4.43Å; K132-E183 IonicContact NZ-OE1 3.65Å; K132-E183 PolarHBondContact NZ-OE1 2.57Å; K132-Y184 WeakPolarHBondContact CA-O 3.39Å; K132-Y184 WeakPolarHBondContact CG-O 3.49Å; K132-E185 HydrophobicContact CB-CG 4.24Å; K132-E185 HydrophobicContact CD-CG 3.44Å; K132-E185 VanDerWaalsContact CD-CG 3.44Å; K132-E185 VanDerWaalsContact CD-OE1 3.3Å; K132-E185 WeakPolarHBondContact CD-OE1 3.2Å; K132-E185 HydrophobicContact CG-CG 3.71Å; K132-E185 IonicContact NZ-OE1 3.37Å
133	I	93	Very high	90.5	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.3	169.6	-59.3	169.6	0	0	0	107.8	I87 L126 I127 G131 F135 I153 Y184	I87-I133 HydrophobicContact CD1-CD1 4.44Å; I87-I133 HydrophobicContact CD1-CG2 4.01Å; L126-I133 CarbonylContact O-C 3.57Å; L126-I133 VanDerWaalsContact O-CA 3.28Å; L126-I133 WeakPolarHBondContact O-CA 3.39Å; I127-I133 HydrophobicContact CG1-CG1 4.38Å; I127-I133 HydrophobicContact CG2-CG1 4.35Å; G131-I133 PolarHBondContact O-N 2.63Å; I133-F135 HydrophobicContact CG2-CD1 4.46Å; I133-F135 HydrophobicContact CG2-CE1 3.84Å; I133-I153 HydrophobicContact CB-CD1 4.48Å; I133-I153 HydrophobicContact CD1-CD1 4.5Å; I133-I153 HydrophobicContact CG2-CD1 4.01Å; I133-Y184 PolarHBondContact N-O 3.29Å; I133-Y184 PolarHBondContact O-N 3.15Å
134	S	94.6	Very high	89	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.4	176.8	-54	0	0	0	0	112.4	T125 L126 M182	T125-S134 WeakPolarHBondContact CA-O 3.21Å; L126-S134 WeakPolarHBondContact CD1-O 3.49Å; L126-S134 PolarHBondContact N-O 3.4Å; L126-S134 PolarHBondContact O-N 3.48Å; S134-M182 CarbonylContact C-O 3.56Å; S134-M182 WeakPolarHBondContact CA-O 3.15Å; S134-M182 WeakPolarHBondContact CB-O 3.04Å
135	F	95.7	Very high	87.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.1	173.2	-51.7	-28.5	0	0	0	110.1	I87 H89 V123 T124 T125 I133 Y137 I153 L181 M182 Y184	I87-F135 HydrophobicContact CD1-CE1 4.28Å; I87-F135 HydrophobicContact CG2-CE1 3.64Å; I87-F135 HydrophobicContact CG2-CZ 3.46Å; I87-F135 VanDerWaalsContact CG2-CZ 3.46Å; H89-F135 AromaticContact CE1-CD1 3.89Å; H89-F135 AromaticContact CE1-CE1 3.81Å; H89-F135 AromaticContact CE1-CZ 3.87Å; V123-F135 HydrophobicContact CG2-CB 4.47Å; T124-F135 CarbonylContact O-C 3.56Å; T124-F135 WeakPolarHBondContact O-CA 3.4Å; T125-F135 HydrophobicContact CG2-CD1 4.04Å; T125-F135 HydrophobicContact CG2-CE1 3.81Å; T125-F135 WeakPolarHBondContact OG1-CD1 3.46Å; T125-F135 WeakPolarHBondContact OG1-CE1 3.49Å; I133-F135 HydrophobicContact CG2-CD1 4.46Å; I133-F135 HydrophobicContact CG2-CE1 3.84Å; F135-Y137 HydrophobicContact CB-CE2 4.01Å; F135-I153 HydrophobicContact CE1-CD1 4.31Å; F135-I153 HydrophobicContact CE2-CD1 4.16Å; F135-I153 HydrophobicContact CE2-CG1 3.97Å; F135-I153 HydrophobicContact CZ-CD1 3.6Å; F135-I153 HydrophobicContact CZ-CG1 3.5Å; F135-I153 VanDerWaalsContact CZ-CG1 3.5Å; F135-L181 WeakPolarHBondContact O-CA 3.49Å; F135-M182 HydrophobicContact CB-CB 4.34Å; F135-M182 HydrophobicContact CD2-SD 4.17Å; F135-M182 PolarHBondContact N-O 2.79Å; F135-M182 PolarHBondContact O-N 2.87Å; F135-Y184 AromaticContact CD2-CE2 3.88Å; F135-Y184 HydrophobicContact CD2-CE2 3.88Å; F135-Y184 AromaticContact CE2-CE2 3.66Å; F135-Y184 HydrophobicContact CE2-CE2 3.66Å; F135-Y184 HydrophobicContact CZ-CE2 4.17Å
136	Y	96.3	Very high	85	Confident	22 Å²	22	50.3 Å²	50.3	9%	0.086	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123	169.9	-177.2	-106.2	0	0	0	110.6	Q32 P33 S34 P35 V123 T124 D138 T180 L181	Q32-Y136 WeakPolarHBondContact O-CE2 3.45Å; Q32-Y136 PolarHBondContact O-OH 2.86Å; P33-Y136 WeakPolarHBondContact O-CE2 3.49Å; S34-Y136 PolarHBondContact N-OH 2.01Å; P35-Y136 VanDerWaalsContact CD-CG 3.49Å; P35-Y136 HydrophobicContact CG-CG 4.32Å; V123-Y136 CarbonylContact C-O 3.6Å; V123-Y136 WeakPolarHBondContact CA-O 3.34Å; T124-Y136 PolarHBondContact N-O 3.28Å; T124-Y136 PolarHBondContact O-N 2.84Å; Y136-D138 HydrophobicContact CD1-CB 4.36Å; Y136-D138 HydrophobicContact CE1-CB 3.89Å; Y136-T180 WeakPolarHBondContact CA-O 3.39Å; Y136-T180 WeakPolarHBondContact CD2-O 3.11Å; Y136-L181 HydrophobicContact CD2-CB 4.35Å; Y136-L181 HydrophobicContact CD2-CD1 4.38Å
137	Y	94.5	Very high	82.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.2	-178.2	-61.9	-79	0	0	0	111.4	F121 V123 F135 S151 V176 G179 T180	F121-Y137 HydrophobicContact CE1-CD1 4.38Å; F121-Y137 HydrophobicContact CE2-CD1 4.41Å; F121-Y137 AromaticContact CZ-CD1 3.68Å; F121-Y137 HydrophobicContact CZ-CD1 3.68Å; F121-Y137 HydrophobicContact CZ-CE1 4.06Å; V123-Y137 HydrophobicContact CB-CD1 4.07Å; V123-Y137 HydrophobicContact CB-CE1 4.15Å; V123-Y137 HydrophobicContact CG2-CD1 3.93Å; V123-Y137 HydrophobicContact CG2-CE1 3.71Å; F135-Y137 HydrophobicContact CB-CE2 4.01Å; Y137-S151 WeakPolarHBondContact OH-CB 3.38Å; Y137-S151 PolarHBondContact OH-OG 3.34Å; Y137-V176 HydrophobicContact CD1-CG1 3.84Å; Y137-V176 HydrophobicContact CE1-CG1 3.95Å; Y137-V176 HydrophobicContact CG-CG1 4.23Å; Y137-G179 PolarHBondContact O-N 3.46Å; Y137-T180 HydrophobicContact CD2-CG2 4.41Å; Y137-T180 PolarHBondContact N-O 3.28Å
138	D	93.6	Very high	80.8	Confident	56 Å²	56	62.1 Å²	62.1	30%	0.299	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.6	-174.6	-177.5	34	0	0	0	112.4	K122 Y136 V140	K122-D138 HydrophobicContact CB-CB 4.22Å; K122-D138 PolarHBondContact N-O 2.8Å; K122-D138 PolarHBondContact O-N 3.1Å; Y136-D138 HydrophobicContact CD1-CB 4.36Å; Y136-D138 HydrophobicContact CE1-CB 3.89Å; D138-V140 PolarHBondContact O-N 2.82Å
139	N	92.6	Very high	78.9	Confident	71 Å²	71	60.1 Å²	60.1	38%	0.38	29%	0.287	S	S	.	.	S	Bend	trans	56.1	9.3	-174.5	-46.6	-87.4	0	0	0	116.6	T120 S178	T120-N139 WeakPolarHBondContact OG1-CB 3.43Å; N139-S178 VanDerWaalsContact C-OG 3.31Å; N139-S178 PolarHBondContact N-OG 3.46Å
140	V	89.5	Confident	77.6	Confident	17 Å²	17	63.3 Å²	63.3	10%	0.103	29%	0.293	C	S	.	.			trans	-46.7	121.2	-178.7	-171.1	0	0	0	0	111.7	F121 D138 Y144 V176 S178	F121-V140 HydrophobicContact CD2-CB 4.2Å; F121-V140 HydrophobicContact CD2-CG1 3.95Å; F121-V140 HydrophobicContact CD2-CG2 3.9Å; F121-V140 HydrophobicContact CE2-CB 4.28Å; F121-V140 HydrophobicContact CE2-CG1 3.88Å; F121-V140 HydrophobicContact CE2-CG2 3.68Å; D138-V140 PolarHBondContact O-N 2.82Å; V140-Y144 HydrophobicContact CG1-CD1 3.76Å; V140-Y144 HydrophobicContact CG1-CD2 4.45Å; V140-Y144 HydrophobicContact CG1-CG 3.65Å; V140-V176 HydrophobicContact CG1-CG1 4.42Å; V140-V176 WeakPolarHBondContact CG1-O 3.48Å; V140-S178 PolarHBondContact N-OG 3.16Å; V140-S178 PolarHBondContact O-OG 3.23Å
141	P	85.2	Confident	77	Confident	19 Å²	19	58.2 Å²	58.2	12%	0.123	27%	0.266	C	S	.	.			trans	-76.9	148.9	-174.1	28.7	-32.6	0	0	0	112.1	L116 N118 K143 Y144	L116-P141 HydrophobicContact CD1-CG 4.36Å; N118-P141 VanDerWaalsContact OD1-CG 3.25Å; N118-P141 WeakPolarHBondContact OD1-CG 3.48Å; P141-K143 PolarHBondContact O-N 2.79Å; P141-Y144 HydrophobicContact CG-CD2 4.16Å; P141-Y144 WeakPolarHBondContact O-CB 2.81Å; P141-Y144 PolarHBondContact O-N 3.29Å
142	W	68.7	Low	76.8	Confident	233 Å²	233	59.1 Å²	59.1	88%	0.883	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16	-171.7	-170.6	-88.5	0	0	0	116.5
143	K	66.6	Low	76.4	Confident	146 Å²	146	57.6 Å²	57.6	64%	0.635	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.2	176.9	-68.9	-170.1	174.9	-173.2	0	114.3	P141 E145 N146	P141-K143 PolarHBondContact O-N 2.79Å; K143-E145 VanDerWaalsContact C-N 3.26Å; K143-E145 PolarHBondContact O-N 2.75Å; K143-N146 PolarHBondContact O-N 3.09Å; K143-N146 VanDerWaalsContact O-N 3.1Å
144	Y	63.7	Low	75.9	Confident	9 Å²	9	59.7 Å²	59.7	4%	0.035	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33	-170.4	-156.2	-95.4	0	0	0	113.3	V91 L116 F121 V140 P141 N146 Y147 S149 V176	V91-Y144 HydrophobicContact CG1-CE2 3.98Å; V91-Y144 VanDerWaalsContact CG1-OH 3.32Å; V91-Y144 WeakPolarHBondContact CG1-OH 3.43Å; V91-Y144 WeakPolarHBondContact CG2-OH 3.45Å; L116-Y144 HydrophobicContact CD1-CD2 4.05Å; L116-Y144 HydrophobicContact CD1-CE2 3.76Å; F121-Y144 HydrophobicContact CD2-CD1 4.28Å; F121-Y144 AromaticContact CD2-CD2 3.95Å; F121-Y144 HydrophobicContact CD2-CD2 3.95Å; F121-Y144 AromaticContact CD2-CE1 3.95Å; F121-Y144 HydrophobicContact CD2-CE1 3.95Å; F121-Y144 AromaticContact CD2-CE2 3.59Å; F121-Y144 HydrophobicContact CD2-CE2 3.59Å; F121-Y144 HydrophobicContact CD2-CG 4.27Å; F121-Y144 AromaticContact CD2-CZ 3.58Å; F121-Y144 AromaticContact CE2-CD1 3.8Å; F121-Y144 HydrophobicContact CE2-CD1 3.8Å; F121-Y144 HydrophobicContact CE2-CD2 4.27Å; F121-Y144 AromaticContact CE2-CE1 3.29Å; F121-Y144 HydrophobicContact CE2-CE1 3.29Å; F121-Y144 AromaticContact CE2-CE2 3.83Å; F121-Y144 HydrophobicContact CE2-CE2 3.83Å; F121-Y144 HydrophobicContact CE2-CG 4.25Å; F121-Y144 AromaticContact CE2-CZ 3.3Å; F121-Y144 HydrophobicContact CG-CE2 4.28Å; F121-Y144 AromaticContact CZ-CE1 3.91Å; F121-Y144 HydrophobicContact CZ-CE1 3.91Å; F121-Y144 AromaticContact CZ-CZ 3.84Å; V140-Y144 HydrophobicContact CG1-CD1 3.76Å; V140-Y144 HydrophobicContact CG1-CD2 4.45Å; V140-Y144 HydrophobicContact CG1-CG 3.65Å; P141-Y144 HydrophobicContact CG-CD2 4.16Å; P141-Y144 WeakPolarHBondContact O-CB 2.81Å; P141-Y144 PolarHBondContact O-N 3.29Å; Y144-N146 PolarHBondContact O-N 3.1Å; Y144-Y147 PolarHBondContact O-N 2.92Å; Y144-S149 WeakPolarHBondContact CE1-OG 3.48Å; Y144-S149 VanDerWaalsContact OH-CB 3.25Å; Y144-S149 WeakPolarHBondContact OH-CB 3.43Å; Y144-S149 PolarHBondContact OH-OG 2.85Å; Y144-S149 VanDerWaalsContact OH-OG 3.04Å; Y144-V176 HydrophobicContact CD1-CB 4.34Å; Y144-V176 HydrophobicContact CD1-CG1 3.77Å; Y144-V176 HydrophobicContact CE1-CB 4.49Å; Y144-V176 HydrophobicContact CE1-CG1 3.67Å
145	E	57.7	Low	74.9	Confident	76 Å²	76	59.6 Å²	59.6	36%	0.355	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-57	-14.1	175.7	-60.3	-178.7	-135.7	0	0	114.4	K143 K177	K143-E145 VanDerWaalsContact C-N 3.26Å; K143-E145 PolarHBondContact O-N 2.75Å; E145-K177 WeakPolarHBondContact OE1-CE 3.42Å; E145-K177 IonicContact OE1-NZ 3.95Å; E145-K177 WeakPolarHBondContact OE2-CE 3.49Å; E145-K177 IonicContact OE2-NZ 3.46Å; E145-K177 PolarHBondContact OE2-NZ 3.48Å
146	N	50.9	Low	73.6	Confident	140 Å²	140	60.3 Å²	60.3	75%	0.749	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-105.9	-0.6	-180	-62.2	-99.5	0	0	0	113.6	K143 Y144	K143-N146 PolarHBondContact O-N 3.09Å; K143-N146 VanDerWaalsContact O-N 3.1Å; Y144-N146 PolarHBondContact O-N 3.1Å
147	Y	52.9	Low	72.3	Confident	76 Å²	76	60 Å²	60	30%	0.298	27%	0.274	S	S	.	.	S	Bend	trans	-90.3	155.9	174.4	-79.2	-101.1	0	0	0	110.4	D93 Y144 S149	D93-Y147 WeakPolarHBondContact OD2-CE1 3.25Å; D93-Y147 PolarHBondContact OD2-OH 2.74Å; Y144-Y147 PolarHBondContact O-N 2.92Å; Y147-S149 PolarHBondContact O-N 2.88Å
148	H	50.9	Low	71.1	Confident	176 Å²	176	64.3 Å²	64.3	82%	0.815	29%	0.294	S	S	*	.			trans	-73.9	33.9	172.1	-66.3	-67.5	0	0	0	112.7	R150	H148-R150 PolarHBondContact O-N 2.84Å
149	S	53.7	Low	69.7	Low	7 Å²	7	62.5 Å²	62.5	5%	0.049	29%	0.285	C	S	.	.			trans	-74.7	92.3	-178.9	-65.5	0	0	0	0	110.3	H90 Y144 Y147	H90-S149 WeakPolarHBondContact O-CA 3.45Å; H90-S149 WeakPolarHBondContact O-CB 3.15Å; Y144-S149 WeakPolarHBondContact CE1-OG 3.48Å; Y144-S149 VanDerWaalsContact OH-CB 3.25Å; Y144-S149 WeakPolarHBondContact OH-CB 3.43Å; Y144-S149 PolarHBondContact OH-OG 2.85Å; Y144-S149 VanDerWaalsContact OH-OG 3.04Å; Y147-S149 PolarHBondContact O-N 2.88Å
150	R	63.7	Low	68.4	Low	114 Å²	114	60.9 Å²	60.9	43%	0.43	29%	0.285	S	S	.	.			trans	-98	116.5	-175.4	-166.4	-172.8	-139.5	-143.4	3.9	108.4	H90 H148 E152 H170	H90-R150 HydrophobicContact CB-CB 4.44Å; H90-R150 WeakPolarHBondContact CB-O 3.44Å; H90-R150 PolarHBondContact N-O 3.34Å; H148-R150 PolarHBondContact O-N 2.84Å; R150-E152 WeakPolarHBondContact CD-OE2 3.32Å; R150-E152 IonicContact CZ-OE2 2.65Å; R150-E152 IonicContact NE-OE2 3.78Å; R150-E152 IonicContact NH1-OE1 2.75Å; R150-E152 IonicContact NH1-OE2 2.75Å; R150-E152 PolarHBondContact NH1-OE2 3.34Å; R150-H170 VanDerWaalsContact CZ-NE2 3.27Å; R150-H170 PolarHBondContact NH1-CD2 2.85Å; R150-H170 PolarHBondContact NH1-NE2 3.14Å; R150-H170 VanDerWaalsContact NH1-NE2 3.13Å; R150-H170 PolarHBondContact NH2-CD2 2.82Å; R150-H170 PolarHBondContact NH2-NE2 2.75Å
151	S	75.6	Confident	66.9	Low	6 Å²	6	69.7 Å²	69.7	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.8	158.7	-66.8	0	0	0	0	108.9	D88 H89 Y137 V171	D88-S151 CarbonylContact O-C 3.48Å; D88-S151 VanDerWaalsContact O-CA 3.24Å; D88-S151 WeakPolarHBondContact O-CA 2.94Å; H89-S151 PolarHBondContact ND1-OG 2.7Å; Y137-S151 WeakPolarHBondContact OH-CB 3.38Å; Y137-S151 PolarHBondContact OH-OG 3.34Å; S151-V171 WeakPolarHBondContact O-CB 3.41Å; S151-V171 WeakPolarHBondContact O-CG2 3.04Å; S151-V171 PolarHBondContact O-N 2.83Å
152	E	82.6	Confident	65.5	Low	27 Å²	27	77.3 Å²	77.3	13%	0.126	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.5	-174.7	-167.2	163.7	155	0	0	110	I87 D88 R150 A168 I169 H170	I87-E152 CarbonylContact C-O 3.6Å; I87-E152 WeakPolarHBondContact CA-O 3.5Å; D88-E152 HydrophobicContact CB-CB 4.32Å; D88-E152 PolarHBondContact N-O 2.9Å; D88-E152 PolarHBondContact O-N 3.2Å; R150-E152 WeakPolarHBondContact CD-OE2 3.32Å; R150-E152 IonicContact CZ-OE2 2.65Å; R150-E152 IonicContact NE-OE2 3.78Å; R150-E152 IonicContact NH1-OE1 2.75Å; R150-E152 IonicContact NH1-OE2 2.75Å; R150-E152 PolarHBondContact NH1-OE2 3.34Å; E152-A168 HydrophobicContact CG-CB 4.35Å; E152-A168 VanDerWaalsContact OE1-CB 3.29Å; E152-A168 WeakPolarHBondContact OE1-CB 3.17Å; E152-I169 WeakPolarHBondContact CA-O 3.47Å; E152-H170 IonicContact OE1-CD2 3.51Å; E152-H170 IonicContact OE1-NE2 3.44Å; E152-H170 PolarHBondContact OE1-NE2 3.18Å; E152-H170 IonicContact OE2-CD2 3.34Å; E152-H170 PolarHBondContact OE2-CD2 2.75Å; E152-H170 VanDerWaalsContact OE2-CD2 3.23Å; E152-H170 IonicContact OE2-NE2 2.7Å
153	I	81.6	Confident	65.1	Low	6 Å²	6	70.6 Å²	70.6	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.2	162	-59.6	-169.5	0	0	0	107.7	Y61 I87 I133 F135 A168 I169 Y184	Y61-I153 HydrophobicContact CE2-CG2 4.21Å; I87-I153 HydrophobicContact CG1-CG1 4.32Å; I133-I153 HydrophobicContact CB-CD1 4.48Å; I133-I153 HydrophobicContact CD1-CD1 4.5Å; I133-I153 HydrophobicContact CG2-CD1 4.01Å; F135-I153 HydrophobicContact CE1-CD1 4.31Å; F135-I153 HydrophobicContact CE2-CD1 4.16Å; F135-I153 HydrophobicContact CE2-CG1 3.97Å; F135-I153 HydrophobicContact CZ-CD1 3.6Å; F135-I153 HydrophobicContact CZ-CG1 3.5Å; F135-I153 VanDerWaalsContact CZ-CG1 3.5Å; I153-A168 CarbonylContact O-C 3.6Å; I153-A168 WeakPolarHBondContact O-CA 3.32Å; I153-I169 HydrophobicContact CB-CB 4.49Å; I153-I169 PolarHBondContact N-O 2.92Å; I153-I169 PolarHBondContact O-N 3.18Å; I153-Y184 HydrophobicContact CD1-CD1 3.78Å; I153-Y184 HydrophobicContact CD1-CD2 3.45Å; I153-Y184 VanDerWaalsContact CD1-CD2 3.45Å; I153-Y184 HydrophobicContact CD1-CE1 3.84Å; I153-Y184 HydrophobicContact CD1-CE2 3.53Å; I153-Y184 HydrophobicContact CD1-CG 3.57Å; I153-Y184 HydrophobicContact CG1-CE1 4.36Å; I153-Y184 HydrophobicContact CG1-CE2 4.25Å
154	F	83	Confident	64.9	Low	50 Å²	50	69.2 Å²	69.2	22%	0.219	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.1	173	176.2	-80	0	0	0	110.1	F83 G85 E86 A166 V167 A168	F83-F154 HydrophobicContact CE1-CD1 4.27Å; F83-F154 HydrophobicContact CE1-CE1 4.01Å; G85-F154 CarbonylContact C-O 3.47Å; G85-F154 WeakPolarHBondContact CA-O 3.35Å; E86-F154 HydrophobicContact CG-CB 3.68Å; E86-F154 HydrophobicContact CG-CD1 4.1Å; E86-F154 HydrophobicContact CG-CG 4.16Å; E86-F154 PolarHBondContact N-O 3.16Å; E86-F154 PolarHBondContact O-N 3.47Å; F154-A166 HydrophobicContact CE2-CB 3.69Å; F154-A166 HydrophobicContact CZ-CB 3.62Å; F154-V167 CarbonylContact C-O 3.46Å; F154-V167 VanDerWaalsContact CA-O 3.31Å; F154-V167 WeakPolarHBondContact CA-O 3.47Å; F154-A168 HydrophobicContact CD2-CB 4.41Å
155	G	74.3	Confident	65	Low	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.3	171.5	0	0	0	0	0	111.7	Y61 A166 V167	Y61-G155 VanDerWaalsContact CD2-CA 3.48Å; G155-A166 CarbonylContact O-C 3.33Å; G155-A166 VanDerWaalsContact O-CA 3.3Å; G155-A166 WeakPolarHBondContact O-CA 3.27Å; G155-V167 PolarHBondContact N-O 2.79Å; G155-V167 PolarHBondContact O-N 3.43Å
156	S	67.8	Low	65.6	Low	16 Å²	16	68.6 Å²	68.6	11%	0.112	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	171.2	63.9	0	0	0	0	110.9	S84 A165	S84-S156 PolarHBondContact O-N 2.8Å; S84-S156 PolarHBondContact O-OG 3.44Å; S84-S156 VanDerWaalsContact O-OG 3.14Å; S156-A165 WeakPolarHBondContact CA-O 3.41Å
157	F	69.7	Low	66.7	Low	16 Å²	16	62.5 Å²	62.5	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.6	177.1	52.8	-84.5	0	0	0	111.2	M1 Y22 Y61 K164 A165 V167 S739	M1-F157 HydrophobicContact CE-CZ 3.86Å; Y22-F157 AromaticContact CD1-CE1 3.74Å; Y22-F157 HydrophobicContact CD1-CE1 3.74Å; Y22-F157 HydrophobicContact CD1-CE2 4.43Å; Y22-F157 AromaticContact CD1-CZ 3.53Å; Y22-F157 HydrophobicContact CD1-CZ 3.53Å; Y22-F157 AromaticContact CE1-CE1 3.8Å; Y22-F157 HydrophobicContact CE1-CE1 3.8Å; Y22-F157 AromaticContact CE1-CE2 3.84Å; Y22-F157 HydrophobicContact CE1-CE2 3.84Å; Y22-F157 AromaticContact CE1-CZ 3.37Å; Y22-F157 HydrophobicContact CE1-CZ 3.37Å; Y61-F157 HydrophobicContact CD1-CD1 4.42Å; F157-K164 WeakPolarHBondContact O-CA 3.45Å; F157-A165 HydrophobicContact CD2-CB 3.95Å; F157-A165 HydrophobicContact CE1-CB 4.09Å; F157-A165 HydrophobicContact CE2-CB 3.43Å; F157-A165 VanDerWaalsContact CE2-CB 3.43Å; F157-A165 HydrophobicContact CG-CB 4.49Å; F157-A165 HydrophobicContact CZ-CB 3.5Å; F157-A165 PolarHBondContact N-O 2.9Å; F157-A165 PolarHBondContact O-N 3.31Å; F157-V167 HydrophobicContact CE1-CG2 3.85Å; F157-V167 HydrophobicContact CZ-CG2 4.32Å; F157-S739 VanDerWaalsContact CD2-OG 3.32Å; F157-S739 WeakPolarHBondContact CD2-OG 3.37Å; F157-S739 WeakPolarHBondContact CE2-OG 3.28Å
158	E	68.1	Low	68	Low	90 Å²	90	60.6 Å²	60.6	42%	0.421	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.5	-176.8	-65	-179.5	169.1	0	0	109.8	K82 K164 S736	K82-E158 IonicContact NZ-OE1 3.92Å; K82-E158 PolarHBondContact NZ-OE1 2.59Å; K82-E158 IonicContact NZ-OE2 3.68Å; K82-E158 PolarHBondContact NZ-OE2 2.86Å; E158-K164 HydrophobicContact CG-CG 4.36Å; E158-K164 WeakPolarHBondContact OE1-CE 3.5Å; E158-K164 IonicContact OE1-NZ 3.4Å; E158-K164 PolarHBondContact OE1-NZ 2.79Å; E158-S736 WeakPolarHBondContact O-CB 3.25Å
159	C	64.9	Low	69.6	Low	17 Å²	17	52.2 Å²	52.2	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	93.7	-173.6	-72.1	0	0	0	0	109	V163 A165 C740	C159-V163 WeakPolarHBondContact CA-O 3.48Å; C159-V163 HydrophobicContact CB-CB 3.83Å; C159-V163 HydrophobicContact CB-CG1 3.97Å; C159-V163 VanDerWaalsContact CB-O 3.32Å; C159-V163 WeakPolarHBondContact CB-O 3.33Å; C159-V163 PolarHBondContact N-O 3.02Å; C159-V163 PolarHBondContact O-N 3.36Å; C159-A165 WeakPolarHBondContact SG-CB 3.5Å; C159-C740 WeakPolarHBondContact CA-SG 3.33Å; C159-C740 HydrophobicContact CB-CB 3.52Å; C159-C740 WeakPolarHBondContact CB-SG 3.27Å; C159-C740 WeakPolarHBondContact SG-CB 3.42Å; C159-C740 CovalentContact SG-SG 2.01Å; C159-C740 PolarHBondContact SG-SG 2.87Å
160	G	64.6	Low	71.1	Confident	37 Å²	37	55.5 Å²	55.5	38%	0.381	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-155.9	-162.6	0	0	0	0	0	111.6	E162	G160-E162 PolarHBondContact O-N 3.5Å
161	E	58.3	Low	72.2	Confident	202 Å²	202	50.4 Å²	50.4	94%	0.944	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-17	-167.8	-60.2	-175.7	139.3	0	0	115.1
162	E	57.3	Low	72.6	Confident	179 Å²	179	53.8 Å²	53.8	84%	0.836	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.1	-28.1	-172.4	-66	-166.4	149.8	0	0	116.4	G160 K164	G160-E162 PolarHBondContact O-N 3.5Å; E162-K164 PolarHBondContact O-N 3.23Å
163	V	58.8	Low	72.7	Confident	92 Å²	92	53.5 Å²	53.5	56%	0.558	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	126.1	-174.4	176.6	0	0	0	0	109.5	C159	C159-V163 WeakPolarHBondContact CA-O 3.48Å; C159-V163 HydrophobicContact CB-CB 3.83Å; C159-V163 HydrophobicContact CB-CG1 3.97Å; C159-V163 VanDerWaalsContact CB-O 3.32Å; C159-V163 WeakPolarHBondContact CB-O 3.33Å; C159-V163 PolarHBondContact N-O 3.02Å; C159-V163 PolarHBondContact O-N 3.36Å
164	K	62.6	Low	72.9	Confident	118 Å²	118	56.3 Å²	56.3	51%	0.513	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.6	165.3	-70.1	-163	171.4	-155.6	0	109.7	F157 E158 E162	F157-K164 WeakPolarHBondContact O-CA 3.45Å; E158-K164 HydrophobicContact CG-CG 4.36Å; E158-K164 WeakPolarHBondContact OE1-CE 3.5Å; E158-K164 IonicContact OE1-NZ 3.4Å; E158-K164 PolarHBondContact OE1-NZ 2.79Å; E162-K164 PolarHBondContact O-N 3.23Å
165	A	66	Low	73.3	Confident	17 Å²	17	54.3 Å²	54.3	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	151	166.4	0	0	0	0	0	109.8	S156 F157 C159	S156-A165 WeakPolarHBondContact CA-O 3.41Å; F157-A165 HydrophobicContact CD2-CB 3.95Å; F157-A165 HydrophobicContact CE1-CB 4.09Å; F157-A165 HydrophobicContact CE2-CB 3.43Å; F157-A165 VanDerWaalsContact CE2-CB 3.43Å; F157-A165 HydrophobicContact CG-CB 4.49Å; F157-A165 HydrophobicContact CZ-CB 3.5Å; F157-A165 PolarHBondContact N-O 2.9Å; F157-A165 PolarHBondContact O-N 3.31Å; C159-A165 WeakPolarHBondContact SG-CB 3.5Å
166	A	70.1	Confident	74	Confident	55 Å²	55	54.4 Å²	54.4	46%	0.455	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.8	-177.4	0	0	0	0	0	110.2	F154 G155	F154-A166 HydrophobicContact CE2-CB 3.69Å; F154-A166 HydrophobicContact CZ-CB 3.62Å; G155-A166 CarbonylContact O-C 3.33Å; G155-A166 VanDerWaalsContact O-CA 3.3Å; G155-A166 WeakPolarHBondContact O-CA 3.27Å
167	V	74.8	Confident	75.1	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.5	179.7	172.1	0	0	0	0	109.1	M1 Y22 Y61 F154 G155 F157 I169	M1-V167 HydrophobicContact CE-CG2 3.52Å; M1-V167 HydrophobicContact SD-CG2 4.42Å; Y22-V167 HydrophobicContact CD1-CG2 4.08Å; Y22-V167 HydrophobicContact CG-CG2 4.35Å; Y61-V167 HydrophobicContact CE1-CB 4.43Å; F154-V167 CarbonylContact C-O 3.46Å; F154-V167 VanDerWaalsContact CA-O 3.31Å; F154-V167 WeakPolarHBondContact CA-O 3.47Å; G155-V167 PolarHBondContact N-O 2.79Å; G155-V167 PolarHBondContact O-N 3.43Å; F157-V167 HydrophobicContact CE1-CG2 3.85Å; F157-V167 HydrophobicContact CZ-CG2 4.32Å; V167-I169 HydrophobicContact CG1-CG1 4.15Å
168	A	80.4	Confident	76.2	Confident	36 Å²	36	58.4 Å²	58.4	30%	0.298	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.7	177.6	0	0	0	0	0	110.2	E152 I153 F154	E152-A168 HydrophobicContact CG-CB 4.35Å; E152-A168 VanDerWaalsContact OE1-CB 3.29Å; E152-A168 WeakPolarHBondContact OE1-CB 3.17Å; I153-A168 CarbonylContact O-C 3.6Å; I153-A168 WeakPolarHBondContact O-CA 3.32Å; F154-A168 HydrophobicContact CD2-CB 4.41Å
169	I	84.3	Confident	77.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	103.2	178	-48.6	173.8	0	0	0	109.6	Y21 H24 E152 I153 V167 Y184	Y21-I169 HydrophobicContact CD1-CB 4.39Å; Y21-I169 HydrophobicContact CD1-CD1 4.2Å; Y21-I169 HydrophobicContact CD1-CG1 3.78Å; Y21-I169 HydrophobicContact CD1-CG2 3.96Å; Y21-I169 HydrophobicContact CD2-CD1 4.05Å; Y21-I169 HydrophobicContact CD2-CG1 4.41Å; Y21-I169 HydrophobicContact CD2-CG2 3.99Å; Y21-I169 HydrophobicContact CE1-CB 4.39Å; Y21-I169 HydrophobicContact CE1-CG1 4.28Å; Y21-I169 HydrophobicContact CE1-CG2 3.62Å; Y21-I169 HydrophobicContact CE2-CG2 3.66Å; Y21-I169 HydrophobicContact CG-CD1 3.74Å; Y21-I169 HydrophobicContact CG-CG1 3.87Å; Y21-I169 HydrophobicContact CG-CG2 4.15Å; Y21-I169 VanDerWaalsContact CZ-CG2 3.48Å; H24-I169 HydrophobicContact CB-CD1 4.39Å; E152-I169 WeakPolarHBondContact CA-O 3.47Å; I153-I169 HydrophobicContact CB-CB 4.49Å; I153-I169 PolarHBondContact N-O 2.92Å; I153-I169 PolarHBondContact O-N 3.18Å; V167-I169 HydrophobicContact CG1-CG1 4.15Å; I169-Y184 HydrophobicContact CB-CE1 4.13Å; I169-Y184 HydrophobicContact CD1-CD1 4.17Å; I169-Y184 HydrophobicContact CD1-CE1 4.08Å; I169-Y184 HydrophobicContact CG2-CE1 3.67Å
170	H	85.5	Confident	78.9	Confident	76 Å²	76	53.8 Å²	53.8	35%	0.352	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.2	-175.4	-48.5	106.8	0	0	0	112.6	R26 R150 E152	R26-H170 PolarHBondContact NH1-O 2.83Å; R150-H170 VanDerWaalsContact CZ-NE2 3.27Å; R150-H170 PolarHBondContact NH1-CD2 2.85Å; R150-H170 PolarHBondContact NH1-NE2 3.14Å; R150-H170 VanDerWaalsContact NH1-NE2 3.13Å; R150-H170 PolarHBondContact NH2-CD2 2.82Å; R150-H170 PolarHBondContact NH2-NE2 2.75Å; E152-H170 IonicContact OE1-CD2 3.51Å; E152-H170 IonicContact OE1-NE2 3.44Å; E152-H170 PolarHBondContact OE1-NE2 3.18Å; E152-H170 IonicContact OE2-CD2 3.34Å; E152-H170 PolarHBondContact OE2-CD2 2.75Å; E152-H170 VanDerWaalsContact OE2-CD2 3.23Å; E152-H170 IonicContact OE2-NE2 2.7Å
171	V	85.3	Confident	80.3	Confident	8 Å²	8	52.6 Å²	52.6	5%	0.048	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-88.9	124.1	169.2	177.9	0	0	0	0	110.1	S151 V176 M182	S151-V171 WeakPolarHBondContact O-CB 3.41Å; S151-V171 WeakPolarHBondContact O-CG2 3.04Å; S151-V171 PolarHBondContact O-N 2.83Å; V171-V176 HydrophobicContact CG1-CG2 3.69Å; V171-M182 HydrophobicContact CB-CE 4.3Å; V171-M182 HydrophobicContact CG1-CE 3.65Å; V171-M182 HydrophobicContact CG1-SD 4.49Å; V171-M182 HydrophobicContact CG2-CE 3.74Å; V171-M182 HydrophobicContact CG2-SD 3.45Å; V171-M182 WeakPolarHBondContact CG2-SD 3.15Å
172	D	85.2	Confident	82	Confident	77 Å²	77	43 Å²	43	41%	0.412	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-71.3	131.5	169.7	-176.4	-25.9	0	0	0	109.6	K174 W175	D172-K174 HydrophobicContact CB-CD 4.43Å; D172-K174 HydrophobicContact CB-CG 4.14Å; D172-K174 VanDerWaalsContact CG-CG 3.49Å; D172-K174 PolarHBondContact O-N 3.12Å; D172-K174 VanDerWaalsContact O-N 3.09Å; D172-K174 WeakPolarHBondContact OD1-CB 3.4Å; D172-K174 WeakPolarHBondContact OD1-CG 3.31Å; D172-K174 PolarHBondContact OD1-N 2.9Å; D172-K174 WeakPolarHBondContact OD2-CD 3.38Å; D172-K174 WeakPolarHBondContact OD2-CE 3.34Å; D172-K174 IonicContact OD2-NZ 2.69Å; D172-K174 PolarHBondContact OD2-NZ 2.78Å; D172-W175 WeakPolarHBondContact O-CB 3.48Å; D172-W175 PolarHBondContact O-N 2.79Å
173	G	83.6	Confident	83.8	Confident	21 Å²	21	35.3 Å²	35.3	22%	0.216	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-55.4	-25.8	179.8	0	0	0	0	0	113.8	W175 V176	G173-W175 PolarHBondContact O-N 3.08Å; G173-W175 VanDerWaalsContact O-N 3.11Å; G173-V176 PolarHBondContact O-N 3.26Å
174	K	86.9	Confident	85.3	Confident	65 Å²	65	31 Å²	31	28%	0.283	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-58.1	-24.3	174.1	80.1	-170.9	173.5	-176.1	0	113.3	E12 D172 K177	E12-K174 IonicContact OE1-NZ 3.44Å; E12-K174 PolarHBondContact OE1-NZ 2.88Å; E12-K174 IonicContact OE2-NZ 3.76Å; E12-K174 PolarHBondContact OE2-NZ 3.41Å; D172-K174 HydrophobicContact CB-CD 4.43Å; D172-K174 HydrophobicContact CB-CG 4.14Å; D172-K174 VanDerWaalsContact CG-CG 3.49Å; D172-K174 PolarHBondContact O-N 3.12Å; D172-K174 VanDerWaalsContact O-N 3.09Å; D172-K174 WeakPolarHBondContact OD1-CB 3.4Å; D172-K174 WeakPolarHBondContact OD1-CG 3.31Å; D172-K174 PolarHBondContact OD1-N 2.9Å; D172-K174 WeakPolarHBondContact OD2-CD 3.38Å; D172-K174 WeakPolarHBondContact OD2-CE 3.34Å; D172-K174 IonicContact OD2-NZ 2.69Å; D172-K174 PolarHBondContact OD2-NZ 2.78Å; K174-K177 WeakPolarHBondContact O-CD 3.39Å; K174-K177 WeakPolarHBondContact O-CE 3.28Å; K174-K177 PolarHBondContact O-NZ 3.05Å
175	W	90.1	Very high	86.6	Confident	7 Å²	7	27 Å²	27	3%	0.027	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-92.8	-13.7	178.4	-64.7	124.7	0	0	0	113.7	E12 R13 E17 I28 L30 D172 G173 K177 T180 M182	E12-W175 HydrophobicContact CG-CH2 4.48Å; E12-W175 HydrophobicContact CG-CZ2 4.01Å; R13-W175 WeakPolarHBondContact O-CH2 3.3Å; E17-W175 HydrophobicContact CB-CH2 4.17Å; E17-W175 HydrophobicContact CB-CZ2 3.59Å; E17-W175 HydrophobicContact CG-CZ2 4.13Å; E17-W175 PolarHBondContact OE2-NE1 3.45Å; I28-W175 HydrophobicContact CB-CD2 4.46Å; I28-W175 HydrophobicContact CD1-CB 4.47Å; I28-W175 VanDerWaalsContact CD1-CD1 3.41Å; I28-W175 HydrophobicContact CD1-CD2 4.05Å; I28-W175 HydrophobicContact CD1-CG 3.77Å; I28-W175 HydrophobicContact CG2-CB 4.15Å; I28-W175 HydrophobicContact CG2-CD2 3.79Å; I28-W175 HydrophobicContact CG2-CE3 3.75Å; I28-W175 HydrophobicContact CG2-CG 3.97Å; I28-W175 HydrophobicContact CG2-CZ3 4.44Å; L30-W175 HydrophobicContact CD1-CZ3 4.29Å; L30-W175 HydrophobicContact CD2-CE3 3.91Å; L30-W175 HydrophobicContact CD2-CZ3 4.31Å; L30-W175 HydrophobicContact CG-CE3 4.17Å; L30-W175 HydrophobicContact CG-CZ3 4.05Å; D172-W175 WeakPolarHBondContact O-CB 3.48Å; D172-W175 PolarHBondContact O-N 2.79Å; G173-W175 PolarHBondContact O-N 3.08Å; G173-W175 VanDerWaalsContact O-N 3.11Å; W175-K177 VanDerWaalsContact C-N 3.29Å; W175-K177 PolarHBondContact O-N 2.75Å; W175-T180 WeakPolarHBondContact O-CB 3.4Å; W175-T180 WeakPolarHBondContact O-CG2 3.47Å; W175-T180 PolarHBondContact O-OG1 2.83Å; W175-T180 VanDerWaalsContact O-OG1 3.09Å; W175-M182 HydrophobicContact CB-CE 4.38Å
176	V	89.2	Confident	87.5	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.168	C	C	.	.			trans	-82.4	80.3	-176.9	-170.4	0	0	0	0	109.4	F121 Y137 V140 Y144 V171 G173	F121-V176 HydrophobicContact CE2-CG1 3.85Å; F121-V176 HydrophobicContact CZ-CG1 4.07Å; Y137-V176 HydrophobicContact CD1-CG1 3.84Å; Y137-V176 HydrophobicContact CE1-CG1 3.95Å; Y137-V176 HydrophobicContact CG-CG1 4.23Å; V140-V176 HydrophobicContact CG1-CG1 4.42Å; V140-V176 WeakPolarHBondContact CG1-O 3.48Å; Y144-V176 HydrophobicContact CD1-CB 4.34Å; Y144-V176 HydrophobicContact CD1-CG1 3.77Å; Y144-V176 HydrophobicContact CE1-CB 4.49Å; Y144-V176 HydrophobicContact CE1-CG1 3.67Å; V171-V176 HydrophobicContact CG1-CG2 3.69Å; G173-V176 PolarHBondContact O-N 3.26Å
177	K	90.8	Very high	88.1	Confident	64 Å²	64	26 Å²	26	28%	0.278	15%	0.147	S	C	.	.			trans	-127.7	150.6	-176.7	-77.2	164.7	172.9	142.7	0	111.3	L30 E145 K174 W175 G179 T180	L30-K177 HydrophobicContact CD1-CD 4.32Å; L30-K177 HydrophobicContact CD2-CB 4.24Å; L30-K177 HydrophobicContact CD2-CD 4.27Å; E145-K177 WeakPolarHBondContact OE1-CE 3.42Å; E145-K177 IonicContact OE1-NZ 3.95Å; E145-K177 WeakPolarHBondContact OE2-CE 3.49Å; E145-K177 IonicContact OE2-NZ 3.46Å; E145-K177 PolarHBondContact OE2-NZ 3.48Å; K174-K177 WeakPolarHBondContact O-CD 3.39Å; K174-K177 WeakPolarHBondContact O-CE 3.28Å; K174-K177 PolarHBondContact O-NZ 3.05Å; W175-K177 VanDerWaalsContact C-N 3.29Å; W175-K177 PolarHBondContact O-N 2.75Å; K177-G179 PolarHBondContact O-N 2.89Å; K177-T180 WeakPolarHBondContact CB-OG1 3.42Å; K177-T180 PolarHBondContact N-OG1 2.87Å; K177-T180 VanDerWaalsContact O-CB 3.25Å; K177-T180 WeakPolarHBondContact O-CB 3.28Å; K177-T180 PolarHBondContact O-N 3.44Å; K177-T180 PolarHBondContact O-OG1 2.86Å
178	S	93.2	Very high	88.3	Confident	52 Å²	52	27.3 Å²	27.3	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	131.1	173.5	-68.8	0	0	0	0	111.2	N139 V140 T180	N139-S178 VanDerWaalsContact C-OG 3.31Å; N139-S178 PolarHBondContact N-OG 3.46Å; V140-S178 PolarHBondContact N-OG 3.16Å; V140-S178 PolarHBondContact O-OG 3.23Å; S178-T180 VanDerWaalsContact C-N 3.34Å
179	G	94.4	Very high	88.2	Confident	9 Å²	9	28.4 Å²	28.4	9%	0.093	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	15.2	-175.5	0	0	0	0	0	114.2	N31 Q32 Y137 K177	N31-G179 CarbonylContact C-O 3.57Å; N31-G179 PolarHBondContact N-O 2.91Å; N31-G179 VanDerWaalsContact N-O 3.08Å; Q32-G179 PolarHBondContact N-O 2.66Å; Y137-G179 PolarHBondContact O-N 3.46Å; K177-G179 PolarHBondContact O-N 2.89Å
180	T	94.8	Very high	88.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.5	172.4	-52.4	0	0	0	0	110.3	I28 R29 L30 Y136 Y137 W175 K177 S178	I28-T180 HydrophobicContact CG2-CG2 3.89Å; R29-T180 WeakPolarHBondContact O-CA 3.32Å; L30-T180 HydrophobicContact CD2-CG2 3.94Å; L30-T180 WeakPolarHBondContact CD2-OG1 3.31Å; Y136-T180 WeakPolarHBondContact CA-O 3.39Å; Y136-T180 WeakPolarHBondContact CD2-O 3.11Å; Y137-T180 HydrophobicContact CD2-CG2 4.41Å; Y137-T180 PolarHBondContact N-O 3.28Å; W175-T180 WeakPolarHBondContact O-CB 3.4Å; W175-T180 WeakPolarHBondContact O-CG2 3.47Å; W175-T180 PolarHBondContact O-OG1 2.83Å; W175-T180 VanDerWaalsContact O-OG1 3.09Å; K177-T180 WeakPolarHBondContact CB-OG1 3.42Å; K177-T180 PolarHBondContact N-OG1 2.87Å; K177-T180 VanDerWaalsContact O-CB 3.25Å; K177-T180 WeakPolarHBondContact O-CB 3.28Å; K177-T180 PolarHBondContact O-N 3.44Å; K177-T180 PolarHBondContact O-OG1 2.86Å; S178-T180 VanDerWaalsContact C-N 3.34Å
181	L	95.8	Very high	87.9	Confident	12 Å²	12	25.7 Å²	25.7	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.3	164.9	-177	65.4	0	0	0	108.8	R29 Q32 P35 F135 Y136 E183	R29-L181 PolarHBondContact N-O 3.42Å; R29-L181 PolarHBondContact O-N 2.95Å; Q32-L181 HydrophobicContact CB-CB 3.89Å; Q32-L181 HydrophobicContact CG-CB 3.82Å; P35-L181 HydrophobicContact CB-CD1 4.38Å; P35-L181 HydrophobicContact CG-CD1 4.03Å; F135-L181 WeakPolarHBondContact O-CA 3.49Å; Y136-L181 HydrophobicContact CD2-CB 4.35Å; Y136-L181 HydrophobicContact CD2-CD1 4.38Å; L181-E183 HydrophobicContact CD1-CG 4.39Å; L181-E183 HydrophobicContact CD2-CG 4.15Å; L181-E183 HydrophobicContact CG-CG 3.94Å
182	M	94.3	Very high	87.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.8	173.5	-178.7	174.2	-60	0	0	108.4	R26 M27 I28 S134 F135 V171 W175 Y184	R26-M182 HydrophobicContact CG-CG 4.18Å; M27-M182 CarbonylContact O-C 3.59Å; M27-M182 WeakPolarHBondContact O-CA 3.48Å; I28-M182 HydrophobicContact CD1-CE 3.59Å; I28-M182 HydrophobicContact CG1-CE 3.8Å; I28-M182 HydrophobicContact CG1-CG 4.15Å; I28-M182 HydrophobicContact CG2-CE 4.02Å; S134-M182 CarbonylContact C-O 3.56Å; S134-M182 WeakPolarHBondContact CA-O 3.15Å; S134-M182 WeakPolarHBondContact CB-O 3.04Å; F135-M182 HydrophobicContact CB-CB 4.34Å; F135-M182 HydrophobicContact CD2-SD 4.17Å; F135-M182 PolarHBondContact N-O 2.79Å; F135-M182 PolarHBondContact O-N 2.87Å; V171-M182 HydrophobicContact CB-CE 4.3Å; V171-M182 HydrophobicContact CG1-CE 3.65Å; V171-M182 HydrophobicContact CG1-SD 4.49Å; V171-M182 HydrophobicContact CG2-CE 3.74Å; V171-M182 HydrophobicContact CG2-SD 3.45Å; V171-M182 WeakPolarHBondContact CG2-SD 3.15Å; W175-M182 HydrophobicContact CB-CE 4.38Å; M182-Y184 HydrophobicContact CG-CD2 4.28Å; M182-Y184 HydrophobicContact CG-CE2 3.6Å; M182-Y184 HydrophobicContact SD-CE2 3.62Å; M182-Y184 PolarHBondContact SD-OH 3.25Å
183	E	93.5	Very high	87.4	Confident	18 Å²	18	27 Å²	27	8%	0.084	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135	-173.5	-58.6	178	97.8	0	0	109.8	R26 M27 R29 K132 L181	R26-E183 CarbonylContact C-O 3.39Å; R26-E183 VanDerWaalsContact CA-O 3.28Å; R26-E183 WeakPolarHBondContact CA-O 3.43Å; M27-E183 PolarHBondContact N-O 2.95Å; M27-E183 PolarHBondContact O-N 3.1Å; R29-E183 IonicContact CZ-OE2 3.59Å; R29-E183 IonicContact NE-OE2 2.72Å; R29-E183 PolarHBondContact NE-OE2 3.13Å; R29-E183 IonicContact NH2-OE1 3.46Å; R29-E183 IonicContact NH2-OE2 3.49Å; R29-E183 PolarHBondContact NH2-OE2 3.07Å; K132-E183 HydrophobicContact CD-CB 4.43Å; K132-E183 IonicContact NZ-OE1 3.65Å; K132-E183 PolarHBondContact NZ-OE1 2.57Å; L181-E183 HydrophobicContact CD1-CG 4.39Å; L181-E183 HydrophobicContact CD2-CG 4.15Å; L181-E183 HydrophobicContact CG-CG 3.94Å
184	Y	91.5	Very high	87.3	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	114.4	-178.7	-67.5	-93.3	0	0	0	108.8	S25 R26 K132 I133 F135 I153 I169 M182	S25-Y184 CarbonylContact O-C 3.58Å; S25-Y184 VanDerWaalsContact O-CA 3.32Å; S25-Y184 WeakPolarHBondContact O-CA 3.12Å; R26-Y184 HydrophobicContact CB-CD1 4.12Å; R26-Y184 HydrophobicContact CB-CE1 4.11Å; R26-Y184 VanDerWaalsContact CD-CE1 3.47Å; R26-Y184 WeakPolarHBondContact CD-OH 3.41Å; R26-Y184 HydrophobicContact CG-CD1 4.07Å; R26-Y184 HydrophobicContact CG-CE1 3.76Å; K132-Y184 WeakPolarHBondContact CA-O 3.39Å; K132-Y184 WeakPolarHBondContact CG-O 3.49Å; I133-Y184 PolarHBondContact N-O 3.29Å; I133-Y184 PolarHBondContact O-N 3.15Å; F135-Y184 AromaticContact CD2-CE2 3.88Å; F135-Y184 HydrophobicContact CD2-CE2 3.88Å; F135-Y184 AromaticContact CE2-CE2 3.66Å; F135-Y184 HydrophobicContact CE2-CE2 3.66Å; F135-Y184 HydrophobicContact CZ-CE2 4.17Å; I153-Y184 HydrophobicContact CD1-CD1 3.78Å; I153-Y184 HydrophobicContact CD1-CD2 3.45Å; I153-Y184 VanDerWaalsContact CD1-CD2 3.45Å; I153-Y184 HydrophobicContact CD1-CE1 3.84Å; I153-Y184 HydrophobicContact CD1-CE2 3.53Å; I153-Y184 HydrophobicContact CD1-CG 3.57Å; I153-Y184 HydrophobicContact CG1-CE1 4.36Å; I153-Y184 HydrophobicContact CG1-CE2 4.25Å; I169-Y184 HydrophobicContact CB-CE1 4.13Å; I169-Y184 HydrophobicContact CD1-CD1 4.17Å; I169-Y184 HydrophobicContact CD1-CE1 4.08Å; I169-Y184 HydrophobicContact CG2-CE1 3.67Å; M182-Y184 HydrophobicContact CG-CD2 4.28Å; M182-Y184 HydrophobicContact CG-CE2 3.6Å; M182-Y184 HydrophobicContact SD-CE2 3.62Å; M182-Y184 PolarHBondContact SD-OH 3.25Å
185	E	89	Confident	87.2	Confident	35 Å²	35	29.7 Å²	29.7	16%	0.164	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.8	-172.4	-70.2	177.3	131.7	0	0	110.7	H24 S25 K132 S187 N222	H24-E185 CarbonylContact C-O 3.58Å; H24-E185 VanDerWaalsContact CA-O 3.28Å; H24-E185 WeakPolarHBondContact CA-O 3.15Å; S25-E185 PolarHBondContact N-O 2.55Å; S25-E185 PolarHBondContact O-N 2.91Å; S25-E185 PolarHBondContact OG-O 2.88Å; K132-E185 HydrophobicContact CB-CG 4.24Å; K132-E185 HydrophobicContact CD-CG 3.44Å; K132-E185 VanDerWaalsContact CD-CG 3.44Å; K132-E185 VanDerWaalsContact CD-OE1 3.3Å; K132-E185 WeakPolarHBondContact CD-OE1 3.2Å; K132-E185 HydrophobicContact CG-CG 3.71Å; K132-E185 IonicContact NZ-OE1 3.37Å; E185-S187 PolarHBondContact O-N 2.93Å; E185-N222 PolarHBondContact OE1-ND2 3.5Å; E185-N222 VanDerWaalsContact OE1-ND2 3.1Å; E185-N222 PolarHBondContact OE2-ND2 3.07Å
186	V	86.2	Confident	87	Confident	51 Å²	51	32.6 Å²	32.6	31%	0.309	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	118	179.6	175.8	0	0	0	0	108.7	G188	V186-G188 PolarHBondContact O-N 2.85Å
187	S	81.8	Confident	86.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.			trans	-75.7	-8.7	-177.7	-60.9	0	0	0	0	113.7	H23 S25 E185 C190 P191 V220	H23-S187 PolarHBondContact O-N 2.65Å; S25-S187 PolarHBondContact N-OG 3.45Å; E185-S187 PolarHBondContact O-N 2.93Å; S187-C190 PolarHBondContact O-N 3.1Å; S187-P191 WeakPolarHBondContact O-CD 3.13Å; S187-V220 VanDerWaalsContact O-CG2 3.24Å; S187-V220 WeakPolarHBondContact O-CG2 3.3Å
188	G	79.2	Confident	86.6	Confident	37 Å²	37	38.3 Å²	38.3	38%	0.381	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-139.2	177.7	0	0	0	0	0	112.5	V186 C190 P191	V186-G188 PolarHBondContact O-N 2.85Å; G188-C190 VanDerWaalsContact C-N 3.33Å; G188-C190 PolarHBondContact O-N 3.33Å; G188-P191 WeakPolarHBondContact O-CD 3.25Å
189	D	78.9	Confident	86.3	Confident	59 Å²	59	35.8 Å²	35.8	32%	0.316	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19	178.6	-71	-33.1	0	0	0	114	K192 H193	D189-K192 HydrophobicContact CB-CD 4.24Å; D189-K192 WeakPolarHBondContact O-CB 3.49Å; D189-K192 WeakPolarHBondContact O-CG 3.36Å; D189-K192 PolarHBondContact O-N 2.97Å; D189-K192 WeakPolarHBondContact OD1-CD 3.36Å; D189-K192 VanDerWaalsContact OD1-CE 3.3Å; D189-K192 WeakPolarHBondContact OD1-CE 3.47Å; D189-K192 IonicContact OD1-NZ 2.7Å; D189-K192 PolarHBondContact OD1-NZ 3.45Å; D189-H193 PolarHBondContact O-CD2 2.86Å; D189-H193 VanDerWaalsContact O-CD2 3.3Å
190	C	82.8	Confident	85.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-52.1	-47.8	-169.7	-55.5	0	0	0	0	112.9	S187 G188 K192 H193 C209 C218 V220	S187-C190 PolarHBondContact O-N 3.1Å; G188-C190 VanDerWaalsContact C-N 3.33Å; G188-C190 PolarHBondContact O-N 3.33Å; C190-K192 PolarHBondContact O-N 3.08Å; C190-H193 PolarHBondContact O-N 3.06Å; C190-C209 WeakPolarHBondContact CA-SG 3.34Å; C190-C209 HydrophobicContact CB-CB 3.8Å; C190-C209 WeakPolarHBondContact CB-SG 3.28Å; C190-C209 VanDerWaalsContact SG-CA 3.56Å; C190-C209 WeakPolarHBondContact SG-CB 3.19Å; C190-C209 CovalentContact SG-SG 2.04Å; C190-C209 PolarHBondContact SG-SG 2.7Å; C190-C218 WeakPolarHBondContact O-CB 3.39Å; C190-C218 PolarHBondContact O-SG 2.03Å; C190-V220 HydrophobicContact CB-CG2 4.37Å
191	P	80.4	Confident	85.1	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.123	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.1	-19.1	177.4	-25.1	36.3	0	0	0	116.1	S187 G188 H193	S187-P191 WeakPolarHBondContact O-CD 3.13Å; G188-P191 WeakPolarHBondContact O-CD 3.25Å; P191-H193 PolarHBondContact O-N 3.2Å
192	K	77.4	Confident	83.9	Confident	61 Å²	61	43.6 Å²	43.6	27%	0.265	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-68	-22.7	175.3	-56.7	172.6	178.9	172.5	0	111.1	D189 C190 E735 L738	D189-K192 HydrophobicContact CB-CD 4.24Å; D189-K192 WeakPolarHBondContact O-CB 3.49Å; D189-K192 WeakPolarHBondContact O-CG 3.36Å; D189-K192 PolarHBondContact O-N 2.97Å; D189-K192 WeakPolarHBondContact OD1-CD 3.36Å; D189-K192 VanDerWaalsContact OD1-CE 3.3Å; D189-K192 WeakPolarHBondContact OD1-CE 3.47Å; D189-K192 IonicContact OD1-NZ 2.7Å; D189-K192 PolarHBondContact OD1-NZ 3.45Å; C190-K192 PolarHBondContact O-N 3.08Å; K192-E735 IonicContact NZ-OE1 2.75Å; K192-E735 PolarHBondContact NZ-OE1 2.8Å; K192-L738 HydrophobicContact CB-CD2 4.36Å; K192-L738 HydrophobicContact CD-CD2 3.82Å; K192-L738 HydrophobicContact CG-CD2 4.1Å
193	H	82.2	Confident	82.4	Confident	51 Å²	51	46.4 Å²	46.4	24%	0.236	27%	0.267	C	S	.	.			trans	-89	110.4	-179.5	-58.8	-74.7	0	0	0	111.6	D189 C190 P191 C199 S202 C218	D189-H193 PolarHBondContact O-CD2 2.86Å; D189-H193 VanDerWaalsContact O-CD2 3.3Å; C190-H193 PolarHBondContact O-N 3.06Å; P191-H193 PolarHBondContact O-N 3.2Å; H193-C199 HydrophobicContact CB-CB 4.11Å; H193-S202 WeakPolarHBondContact CD2-CB 3.1Å; H193-S202 PolarHBondContact CD2-OG 2.9Å; H193-S202 WeakPolarHBondContact CE1-CB 3.1Å; H193-S202 WeakPolarHBondContact NE2-CB 3.43Å; H193-C218 HydrophobicContact CB-CB 3.99Å; H193-C218 WeakPolarHBondContact O-CB 3.48Å
194	N	81.6	Confident	80.9	Confident	113 Å²	113	48.7 Å²	48.7	60%	0.604	28%	0.282	S	S	*	.			trans	-98.6	6.3	-172.1	67.4	-11.2	0	0	0	114.5
195	S	83.6	Confident	79.2	Confident	30 Å²	30	54.4 Å²	54.4	21%	0.21	32%	0.322	C	S	.	.	S	Bend	trans	-133.5	162.8	175.6	92.4	0	0	0	0	112.1	E197 T198 C199	S195-E197 WeakPolarHBondContact CB-OE2 3.18Å; S195-E197 PolarHBondContact O-N 2.82Å; S195-E197 PolarHBondContact OG-N 2.98Å; S195-E197 PolarHBondContact OG-OE2 3.06Å; S195-T198 PolarHBondContact N-OG1 3.49Å; S195-T198 VanDerWaalsContact N-OG1 3.11Å; S195-T198 PolarHBondContact O-OG1 3.31Å; S195-T198 VanDerWaalsContact O-OG1 3.06Å; S195-T198 PolarHBondContact OG-N 2.88Å; S195-T198 VanDerWaalsContact OG-N 3.12Å; S195-T198 PolarHBondContact OG-OG1 3.43Å; S195-C199 WeakPolarHBondContact O-CB 3.48Å; S195-C199 PolarHBondContact O-N 3.31Å
196	I	86.4	Confident	77.8	Confident	69 Å²	69	59.5 Å²	59.5	35%	0.354	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-47.1	177.9	-54.6	179.3	0	0	0	110.3	C199 Q200 W211	I196-C199 PolarHBondContact O-N 2.77Å; I196-Q200 HydrophobicContact CG2-CG 4.42Å; I196-Q200 WeakPolarHBondContact O-CB 3.32Å; I196-Q200 VanDerWaalsContact O-CG 3.26Å; I196-Q200 WeakPolarHBondContact O-CG 3.38Å; I196-Q200 PolarHBondContact O-N 3.01Å; I196-W211 HydrophobicContact CB-CG 4.32Å; I196-W211 HydrophobicContact CG1-CD2 3.93Å; I196-W211 HydrophobicContact CG1-CG 3.83Å; I196-W211 HydrophobicContact CG2-CB 4.31Å; I196-W211 HydrophobicContact CG2-CG 4.42Å
197	E	85.2	Confident	77	Confident	136 Å²	136	58.9 Å²	58.9	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-69	-42.7	-175.7	-44	85	166.2	0	0	111.8	S195 S201	S195-E197 WeakPolarHBondContact CB-OE2 3.18Å; S195-E197 PolarHBondContact O-N 2.82Å; S195-E197 PolarHBondContact OG-N 2.98Å; S195-E197 PolarHBondContact OG-OE2 3.06Å; E197-S201 WeakPolarHBondContact O-CB 3.5Å; E197-S201 PolarHBondContact O-N 3.19Å; E197-S201 VanDerWaalsContact O-N 3.13Å; E197-S201 PolarHBondContact O-OG 3.2Å
198	T	87.5	Confident	76.8	Confident	50 Å²	50	64 Å²	64	31%	0.307	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-42.6	176.8	51.6	0	0	0	0	110.8	S195 S201 S202	S195-T198 PolarHBondContact N-OG1 3.49Å; S195-T198 VanDerWaalsContact N-OG1 3.11Å; S195-T198 PolarHBondContact O-OG1 3.31Å; S195-T198 VanDerWaalsContact O-OG1 3.06Å; S195-T198 PolarHBondContact OG-N 2.88Å; S195-T198 VanDerWaalsContact OG-N 3.12Å; S195-T198 PolarHBondContact OG-OG1 3.43Å; T198-S201 PolarHBondContact O-N 3.36Å; T198-S201 PolarHBondContact O-OG 2.88Å; T198-S202 VanDerWaalsContact O-CB 3.25Å; T198-S202 WeakPolarHBondContact O-CB 3.45Å; T198-S202 PolarHBondContact O-N 2.66Å; T198-S202 PolarHBondContact O-OG 3.46Å
199	C	86.8	Confident	77	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-38.6	178.5	-175.7	0	0	0	0	114.2	H193 S195 I196 S201 S202 F210 W211 C218	H193-C199 HydrophobicContact CB-CB 4.11Å; S195-C199 WeakPolarHBondContact O-CB 3.48Å; S195-C199 PolarHBondContact O-N 3.31Å; I196-C199 PolarHBondContact O-N 2.77Å; C199-S201 VanDerWaalsContact C-N 3.29Å; C199-S201 PolarHBondContact O-N 3.28Å; C199-S202 PolarHBondContact O-OG 2.72Å; C199-F210 VanDerWaalsContact SG-CA 3.6Å; C199-F210 PolarHBondContact SG-O 2.72Å; C199-W211 HydrophobicContact CB-CB 4.41Å; C199-W211 HydrophobicContact CB-CE3 4.01Å; C199-W211 PolarHBondContact SG-N 3.37Å; C199-C218 WeakPolarHBondContact CA-SG 3.12Å; C199-C218 HydrophobicContact CB-CB 3.5Å; C199-C218 VanDerWaalsContact CB-CB 3.5Å; C199-C218 WeakPolarHBondContact CB-SG 2.91Å; C199-C218 WeakPolarHBondContact SG-CA 2.99Å; C199-C218 WeakPolarHBondContact SG-CB 3.08Å; C199-C218 CovalentContact SG-SG 2.01Å; C199-C218 PolarHBondContact SG-SG 3.41Å
200	Q	82.2	Confident	77.3	Confident	73 Å²	73	60.6 Å²	60.6	34%	0.341	34%	0.344	S	S	.	.	H	α-helix	trans	-75.1	-20.8	178.8	-71.9	178.5	-0.7	0	0	112.7	I196 G237	I196-Q200 HydrophobicContact CG2-CG 4.42Å; I196-Q200 WeakPolarHBondContact O-CB 3.32Å; I196-Q200 VanDerWaalsContact O-CG 3.26Å; I196-Q200 WeakPolarHBondContact O-CG 3.38Å; I196-Q200 PolarHBondContact O-N 3.01Å; Q200-G237 PolarHBondContact NE2-O 3.15Å
201	S	80.4	Confident	77.4	Confident	96 Å²	96	61.3 Å²	61.3	67%	0.671	35%	0.347	S	S	*	.	H	α-helix	trans	-97.2	-10.4	175.9	56.1	0	0	0	0	114.3	E197 T198 C199 A203	E197-S201 WeakPolarHBondContact O-CB 3.5Å; E197-S201 PolarHBondContact O-N 3.19Å; E197-S201 VanDerWaalsContact O-N 3.13Å; E197-S201 PolarHBondContact O-OG 3.2Å; T198-S201 PolarHBondContact O-N 3.36Å; T198-S201 PolarHBondContact O-OG 2.88Å; C199-S201 VanDerWaalsContact C-N 3.29Å; C199-S201 PolarHBondContact O-N 3.28Å; S201-A203 VanDerWaalsContact C-N 3.26Å; S201-A203 PolarHBondContact O-N 3.1Å
202	S	70.8	Confident	77.5	Confident	15 Å²	15	60.4 Å²	60.4	11%	0.105	34%	0.341	C	S	.	.			trans	-83.6	16.8	-177.6	68.5	0	0	0	0	115.3	H193 T198 C199 T204	H193-S202 WeakPolarHBondContact CD2-CB 3.1Å; H193-S202 PolarHBondContact CD2-OG 2.9Å; H193-S202 WeakPolarHBondContact CE1-CB 3.1Å; H193-S202 WeakPolarHBondContact NE2-CB 3.43Å; T198-S202 VanDerWaalsContact O-CB 3.25Å; T198-S202 WeakPolarHBondContact O-CB 3.45Å; T198-S202 PolarHBondContact O-N 2.66Å; T198-S202 PolarHBondContact O-OG 3.46Å; C199-S202 PolarHBondContact O-OG 2.72Å; S202-T204 PolarHBondContact O-N 2.69Å
203	A	63.4	Low	77.6	Confident	59 Å²	59	62.2 Å²	62.2	49%	0.488	35%	0.35	S	S	.	.			trans	-66.1	101.9	176.8	0	0	0	0	0	110.3	S201	S201-A203 VanDerWaalsContact C-N 3.26Å; S201-A203 PolarHBondContact O-N 3.1Å
204	T	61.6	Low	77.3	Confident	67 Å²	67	64.8 Å²	64.8	41%	0.411	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-79.7	167.7	171.8	69.3	0	0	0	0	109.7	S202 N206 T207	S202-T204 PolarHBondContact O-N 2.69Å; T204-N206 PolarHBondContact O-N 2.65Å; T204-T207 PolarHBondContact N-O 2.86Å; T204-T207 VanDerWaalsContact N-O 3.15Å; T204-T207 PolarHBondContact O-N 3.14Å; T204-T207 PolarHBondContact OG1-N 2.95Å; T204-T207 PolarHBondContact OG1-O 3.05Å
205	S	55.1	Low	77.1	Confident	121 Å²	121	59.8 Å²	59.8	85%	0.846	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18	-179.6	58.5	0	0	0	0	114.5
206	N	59.6	Low	76.9	Confident	142 Å²	142	67.1 Å²	67.1	76%	0.759	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-9.2	-171.4	-58.3	9.2	0	0	0	112.6	T204	T204-N206 PolarHBondContact O-N 2.65Å
207	T	69.3	Low	76.7	Confident	38 Å²	38	65.4 Å²	65.4	23%	0.233	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-149.7	106.2	-176.7	-49.9	0	0	0	0	109.5	T204 V220	T204-T207 PolarHBondContact N-O 2.86Å; T204-T207 VanDerWaalsContact N-O 3.15Å; T204-T207 PolarHBondContact O-N 3.14Å; T204-T207 PolarHBondContact OG1-N 2.95Å; T204-T207 PolarHBondContact OG1-O 3.05Å; T207-V220 HydrophobicContact CG2-CB 4.45Å; T207-V220 HydrophobicContact CG2-CG1 3.91Å; T207-V220 HydrophobicContact CG2-CG2 3.86Å
208	Q	79.1	Confident	76.7	Confident	108 Å²	108	58.9 Å²	58.9	51%	0.505	32%	0.321	S	S	.	.			trans	-76.6	135.1	166	-176.2	164.9	-7.2	0	0	108.7	D221	Q208-D221 HydrophobicContact CB-CB 3.67Å; Q208-D221 VanDerWaalsContact CD-OD2 3.22Å; Q208-D221 HydrophobicContact CG-CB 3.76Å; Q208-D221 WeakPolarHBondContact O-CB 3.34Å; Q208-D221 PolarHBondContact O-N 3.11Å; Q208-D221 PolarHBondContact OE1-OD2 3.3Å
209	C	83.4	Confident	76.5	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	154.1	176	-56.7	0	0	0	0	110.2	C190 I219	C190-C209 WeakPolarHBondContact CA-SG 3.34Å; C190-C209 HydrophobicContact CB-CB 3.8Å; C190-C209 WeakPolarHBondContact CB-SG 3.28Å; C190-C209 VanDerWaalsContact SG-CA 3.56Å; C190-C209 WeakPolarHBondContact SG-CB 3.19Å; C190-C209 CovalentContact SG-SG 2.04Å; C190-C209 PolarHBondContact SG-SG 2.7Å; C209-I219 CarbonylContact C-O 3.57Å; C209-I219 VanDerWaalsContact CA-O 3.29Å; C209-I219 WeakPolarHBondContact CA-O 3.12Å
210	F	84.6	Confident	76.2	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.066	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.9	167	71.3	-83.7	0	0	0	111.5	C199 I219 V220 D221 F229 C234	C199-F210 VanDerWaalsContact SG-CA 3.6Å; C199-F210 PolarHBondContact SG-O 2.72Å; F210-I219 HydrophobicContact CD2-CG1 4.49Å; F210-I219 HydrophobicContact CE1-CD1 4.33Å; F210-I219 HydrophobicContact CE1-CG1 3.99Å; F210-I219 HydrophobicContact CE2-CD1 3.81Å; F210-I219 HydrophobicContact CE2-CG1 3.81Å; F210-I219 HydrophobicContact CZ-CD1 3.48Å; F210-I219 VanDerWaalsContact CZ-CD1 3.48Å; F210-I219 HydrophobicContact CZ-CG1 3.52Å; F210-I219 PolarHBondContact N-O 3.28Å; F210-I219 PolarHBondContact O-N 3.04Å; F210-V220 VanDerWaalsContact CE1-O 3.28Å; F210-V220 WeakPolarHBondContact CE1-O 3.49Å; F210-D221 HydrophobicContact CD1-CB 4.17Å; F210-D221 WeakPolarHBondContact CD1-OD1 3.24Å; F210-F229 HydrophobicContact CE1-CE1 4.41Å; F210-F229 AromaticContact CE2-CE1 3.61Å; F210-F229 HydrophobicContact CE2-CE1 3.61Å; F210-F229 HydrophobicContact CE2-CZ 4.04Å; F210-F229 AromaticContact CZ-CE1 3.3Å; F210-F229 HydrophobicContact CZ-CE1 3.3Å; F210-F229 AromaticContact CZ-CZ 3.49Å; F210-F229 HydrophobicContact CZ-CZ 3.49Å; F210-F229 VanDerWaalsContact CZ-CZ 3.49Å; F210-C234 HydrophobicContact CE2-CB 3.75Å
211	W	85	Confident	75.8	Confident	16 Å²	16	55 Å²	55	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.4	-176.7	-176.4	-98.2	0	0	0	111.4	I196 C199 Y216 C218	I196-W211 HydrophobicContact CB-CG 4.32Å; I196-W211 HydrophobicContact CG1-CD2 3.93Å; I196-W211 HydrophobicContact CG1-CG 3.83Å; I196-W211 HydrophobicContact CG2-CB 4.31Å; I196-W211 HydrophobicContact CG2-CG 4.42Å; C199-W211 HydrophobicContact CB-CB 4.41Å; C199-W211 HydrophobicContact CB-CE3 4.01Å; C199-W211 PolarHBondContact SG-N 3.37Å; W211-Y216 HydrophobicContact CZ2-CD2 4.11Å; W211-Y216 HydrophobicContact CZ2-CE2 4.29Å; W211-Y216 HydrophobicContact CZ2-CG 4.25Å; W211-C218 HydrophobicContact CE3-CB 4.16Å; W211-C218 HydrophobicContact CZ3-CB 4.42Å
212	C	81.8	Confident	75.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.4	171.8	-173.8	0	0	0	0	111.2	A215 Y216 R217 I219 G233 C234	C212-A215 HydrophobicContact CB-CB 3.91Å; C212-A215 VanDerWaalsContact SG-CB 3.54Å; C212-Y216 WeakPolarHBondContact O-CA 3.41Å; C212-Y216 PolarHBondContact O-N 2.75Å; C212-R217 WeakPolarHBondContact CB-O 3.48Å; C212-R217 PolarHBondContact N-O 3.25Å; C212-R217 PolarHBondContact O-N 2.94Å; C212-I219 HydrophobicContact CB-CD1 3.67Å; C212-I219 HydrophobicContact CB-CG1 4.07Å; C212-G233 PolarHBondContact SG-O 3.4Å; C212-G233 VanDerWaalsContact SG-O 3.37Å; C212-C234 HydrophobicContact CB-CB 3.64Å; C212-C234 WeakPolarHBondContact CB-SG 3.39Å; C212-C234 WeakPolarHBondContact SG-CB 3.3Å; C212-C234 CovalentContact SG-SG 2.03Å; C212-C234 PolarHBondContact SG-SG 2.95Å
213	E	80.4	Confident	75	Confident	98 Å²	98	54.2 Å²	54.2	46%	0.458	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-44.4	-178.3	-62	-172.6	158	0	0	112.8	Y216	E213-Y216 PolarHBondContact O-N 3.15Å; E213-Y216 VanDerWaalsContact O-N 3.15Å
214	M	75	Confident	74.8	Confident	106 Å²	106	54.2 Å²	54.2	52%	0.522	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-30.7	-178.2	-66.8	174.4	47.7	0	0	113.6	Y216 N232 G233	M214-Y216 VanDerWaalsContact C-N 3.29Å; M214-N232 VanDerWaalsContact CE-O 3.24Å; M214-N232 WeakPolarHBondContact CE-O 3.38Å; M214-G233 WeakPolarHBondContact CB-O 3.24Å
215	A	77.6	Confident	74.7	Confident	8 Å²	8	57.5 Å²	57.5	7%	0.066	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.6	171.4	0	0	0	0	0	112.7	K8 V10 C212 R217	K8-A215 HydrophobicContact CG-CB 4.27Å; V10-A215 HydrophobicContact CG1-CB 4.42Å; V10-A215 HydrophobicContact CG2-CB 3.9Å; C212-A215 HydrophobicContact CB-CB 3.91Å; C212-A215 VanDerWaalsContact SG-CB 3.54Å; A215-R217 HydrophobicContact CB-CG 3.8Å; A215-R217 WeakPolarHBondContact O-CG 3.44Å; A215-R217 PolarHBondContact O-N 2.92Å
216	Y	80.4	Confident	75.2	Confident	183 Å²	183	53.8 Å²	53.8	72%	0.718	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	40.3	-173.1	-157.7	-102.9	0	0	0	113.7	W211 C212 E213 M214	W211-Y216 HydrophobicContact CZ2-CD2 4.11Å; W211-Y216 HydrophobicContact CZ2-CE2 4.29Å; W211-Y216 HydrophobicContact CZ2-CG 4.25Å; C212-Y216 WeakPolarHBondContact O-CA 3.41Å; C212-Y216 PolarHBondContact O-N 2.75Å; E213-Y216 PolarHBondContact O-N 3.15Å; E213-Y216 VanDerWaalsContact O-N 3.15Å; M214-Y216 VanDerWaalsContact C-N 3.29Å
217	R	82.4	Confident	75.4	Confident	33 Å²	33	53.5 Å²	53.5	13%	0.125	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.3	-177	66.3	-169.6	-74.7	-175.1	-6.9	112.1	V20 Y21 C212 A215 I219	V20-R217 PolarHBondContact O-NH1 2.92Å; Y21-R217 PolarHBondContact O-NH1 3.26Å; Y21-R217 PolarHBondContact O-NH2 2.9Å; C212-R217 WeakPolarHBondContact CB-O 3.48Å; C212-R217 PolarHBondContact N-O 3.25Å; C212-R217 PolarHBondContact O-N 2.94Å; A215-R217 HydrophobicContact CB-CG 3.8Å; A215-R217 WeakPolarHBondContact O-CG 3.44Å; A215-R217 PolarHBondContact O-N 2.92Å; R217-I219 HydrophobicContact CG-CG2 4.21Å
218	C	84.5	Confident	75.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.8	172.9	-172.7	0	0	0	0	112	C190 H193 C199 W211	C190-C218 WeakPolarHBondContact O-CB 3.39Å; C190-C218 PolarHBondContact O-SG 2.03Å; H193-C218 HydrophobicContact CB-CB 3.99Å; H193-C218 WeakPolarHBondContact O-CB 3.48Å; C199-C218 WeakPolarHBondContact CA-SG 3.12Å; C199-C218 HydrophobicContact CB-CB 3.5Å; C199-C218 VanDerWaalsContact CB-CB 3.5Å; C199-C218 WeakPolarHBondContact CB-SG 2.91Å; C199-C218 WeakPolarHBondContact SG-CA 2.99Å; C199-C218 WeakPolarHBondContact SG-CB 3.08Å; C199-C218 CovalentContact SG-SG 2.01Å; C199-C218 PolarHBondContact SG-SG 3.41Å; W211-C218 HydrophobicContact CE3-CB 4.16Å; W211-C218 HydrophobicContact CZ3-CB 4.42Å
219	I	83.3	Confident	74.6	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	169.6	-174.3	53.5	174.2	0	0	0	112.3	Y18 V20 C209 F210 C212 R217 F229	Y18-I219 HydrophobicContact CE1-CD1 4.13Å; V20-I219 HydrophobicContact CG1-CG2 3.9Å; V20-I219 HydrophobicContact CG2-CG2 4.07Å; C209-I219 CarbonylContact C-O 3.57Å; C209-I219 VanDerWaalsContact CA-O 3.29Å; C209-I219 WeakPolarHBondContact CA-O 3.12Å; F210-I219 HydrophobicContact CD2-CG1 4.49Å; F210-I219 HydrophobicContact CE1-CD1 4.33Å; F210-I219 HydrophobicContact CE1-CG1 3.99Å; F210-I219 HydrophobicContact CE2-CD1 3.81Å; F210-I219 HydrophobicContact CE2-CG1 3.81Å; F210-I219 HydrophobicContact CZ-CD1 3.48Å; F210-I219 VanDerWaalsContact CZ-CD1 3.48Å; F210-I219 HydrophobicContact CZ-CG1 3.52Å; F210-I219 PolarHBondContact N-O 3.28Å; F210-I219 PolarHBondContact O-N 3.04Å; C212-I219 HydrophobicContact CB-CD1 3.67Å; C212-I219 HydrophobicContact CB-CG1 4.07Å; R217-I219 HydrophobicContact CG-CG2 4.21Å; I219-F229 HydrophobicContact CD1-CZ 3.76Å
220	V	80.1	Confident	73.7	Confident	17 Å²	17	52.6 Å²	52.6	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.2	-175.4	-176.3	0	0	0	0	112.4	S187 C190 T207 F210 N222	S187-V220 VanDerWaalsContact O-CG2 3.24Å; S187-V220 WeakPolarHBondContact O-CG2 3.3Å; C190-V220 HydrophobicContact CB-CG2 4.37Å; T207-V220 HydrophobicContact CG2-CB 4.45Å; T207-V220 HydrophobicContact CG2-CG1 3.91Å; T207-V220 HydrophobicContact CG2-CG2 3.86Å; F210-V220 VanDerWaalsContact CE1-O 3.28Å; F210-V220 WeakPolarHBondContact CE1-O 3.49Å; V220-N222 VanDerWaalsContact C-N 3.28Å; V220-N222 HydrophobicContact CG1-CB 4.36Å; V220-N222 WeakPolarHBondContact CG1-OD1 3.28Å; V220-N222 PolarHBondContact O-N 3.21Å; V220-N222 PolarHBondContact O-OD1 2.94Å
221	D	75.1	Confident	72.4	Confident	25 Å²	25	55 Å²	55	13%	0.134	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-68.6	-10.4	-170.2	-150.8	54	0	0	0	117.2	Q208 F210 I223 K224	Q208-D221 HydrophobicContact CB-CB 3.67Å; Q208-D221 VanDerWaalsContact CD-OD2 3.22Å; Q208-D221 HydrophobicContact CG-CB 3.76Å; Q208-D221 WeakPolarHBondContact O-CB 3.34Å; Q208-D221 PolarHBondContact O-N 3.11Å; Q208-D221 PolarHBondContact OE1-OD2 3.3Å; F210-D221 HydrophobicContact CD1-CB 4.17Å; F210-D221 WeakPolarHBondContact CD1-OD1 3.24Å; D221-I223 PolarHBondContact O-N 2.99Å; D221-I223 VanDerWaalsContact O-N 3.11Å; D221-K224 WeakPolarHBondContact O-CB 3.29Å; D221-K224 PolarHBondContact O-N 3.07Å; D221-K224 WeakPolarHBondContact OD1-CD 3.19Å; D221-K224 WeakPolarHBondContact OD1-CE 3.09Å; D221-K224 IonicContact OD1-NZ 2.74Å; D221-K224 PolarHBondContact OD1-NZ 2.99Å; D221-K224 WeakPolarHBondContact OD2-CD 3.06Å; D221-K224 WeakPolarHBondContact OD2-CE 3.46Å; D221-K224 IonicContact OD2-NZ 2.69Å; D221-K224 PolarHBondContact OD2-NZ 3.33Å
222	N	67.4	Low	71.2	Confident	82 Å²	82	57.5 Å²	57.5	44%	0.439	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-70.7	-7.4	-167.5	61.1	-27.3	0	0	0	115.6	E185 V220	E185-N222 PolarHBondContact OE1-ND2 3.5Å; E185-N222 VanDerWaalsContact OE1-ND2 3.1Å; E185-N222 PolarHBondContact OE2-ND2 3.07Å; V220-N222 VanDerWaalsContact C-N 3.28Å; V220-N222 HydrophobicContact CG1-CB 4.36Å; V220-N222 WeakPolarHBondContact CG1-OD1 3.28Å; V220-N222 PolarHBondContact O-N 3.21Å; V220-N222 PolarHBondContact O-OD1 2.94Å
223	I	65.1	Low	70.2	Confident	11 Å²	11	57.6 Å²	57.6	6%	0.056	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-103.9	2.5	-177.2	-41.9	-175.8	0	0	0	111.6	Y18 M27 D221 D225 I226 F229	Y18-I223 HydrophobicContact CD2-CD1 3.79Å; Y18-I223 HydrophobicContact CE1-CD1 4.41Å; Y18-I223 HydrophobicContact CE2-CD1 3.09Å; Y18-I223 VanDerWaalsContact CZ-CD1 3.46Å; M27-I223 HydrophobicContact SD-CG2 4.3Å; D221-I223 PolarHBondContact O-N 2.99Å; D221-I223 VanDerWaalsContact O-N 3.11Å; I223-D225 PolarHBondContact O-N 2.87Å; I223-I226 HydrophobicContact CG2-CD1 3.73Å; I223-I226 HydrophobicContact CG2-CG1 4.3Å; I223-I226 PolarHBondContact O-N 2.99Å; I223-F229 HydrophobicContact CB-CD2 4.07Å; I223-F229 HydrophobicContact CB-CE2 3.93Å; I223-F229 HydrophobicContact CG2-CD2 3.56Å; I223-F229 HydrophobicContact CG2-CE2 3.79Å; I223-F229 HydrophobicContact CG2-CG 4.42Å
224	K	59.4	Low	69.5	Low	59 Å²	59	53 Å²	53	26%	0.257	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-39.7	-176.4	-105.3	177.1	175.4	155.3	0	114.5	D221 I226 K230	D221-K224 WeakPolarHBondContact O-CB 3.29Å; D221-K224 PolarHBondContact O-N 3.07Å; D221-K224 WeakPolarHBondContact OD1-CD 3.19Å; D221-K224 WeakPolarHBondContact OD1-CE 3.09Å; D221-K224 IonicContact OD1-NZ 2.74Å; D221-K224 PolarHBondContact OD1-NZ 2.99Å; D221-K224 WeakPolarHBondContact OD2-CD 3.06Å; D221-K224 WeakPolarHBondContact OD2-CE 3.46Å; D221-K224 IonicContact OD2-NZ 2.69Å; D221-K224 PolarHBondContact OD2-NZ 3.33Å; K224-I226 VanDerWaalsContact C-N 3.33Å; K224-I226 PolarHBondContact O-N 3.47Å; K224-K230 WeakPolarHBondContact O-CE 3.37Å; K224-K230 VanDerWaalsContact O-CG 3.24Å; K224-K230 WeakPolarHBondContact O-CG 3.2Å
225	D	60.6	Low	68.8	Low	136 Å²	136	53.6 Å²	53.6	73%	0.727	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.9	-168.1	-72.8	-42.7	0	0	0	117	I223 H227 K230	I223-D225 PolarHBondContact O-N 2.87Å; D225-H227 PolarHBondContact O-N 3.26Å; D225-K230 IonicContact OD1-NZ 2.92Å; D225-K230 PolarHBondContact OD1-NZ 2.04Å
226	I	64.8	Low	67.6	Low	44 Å²	44	57.4 Å²	57.4	23%	0.226	28%	0.277	C	S	.	.			trans	-71.8	125	173.3	-62	-176.6	0	0	0	109.4	F11 M27 I223 K224 D228 F229 K230	F11-I226 HydrophobicContact CZ-CG2 4.48Å; M27-I226 HydrophobicContact CE-CD1 3.45Å; M27-I226 VanDerWaalsContact CE-CD1 3.45Å; M27-I226 HydrophobicContact CG-CD1 4.45Å; M27-I226 HydrophobicContact SD-CD1 3.57Å; M27-I226 VanDerWaalsContact SD-CD1 3.57Å; I223-I226 HydrophobicContact CG2-CD1 3.73Å; I223-I226 HydrophobicContact CG2-CG1 4.3Å; I223-I226 PolarHBondContact O-N 2.99Å; K224-I226 VanDerWaalsContact C-N 3.33Å; K224-I226 PolarHBondContact O-N 3.47Å; I226-D228 HydrophobicContact CG2-CB 4.49Å; I226-D228 PolarHBondContact O-N 2.86Å; I226-F229 HydrophobicContact CB-CB 3.83Å; I226-F229 HydrophobicContact CG2-CB 4.19Å; I226-F229 WeakPolarHBondContact O-CA 3.43Å; I226-F229 WeakPolarHBondContact O-CB 3.25Å; I226-F229 PolarHBondContact O-N 3.1Å; I226-K230 PolarHBondContact O-N 2.82Å; I226-K230 VanDerWaalsContact O-N 3.17Å
227	H	64.3	Low	65.7	Low	135 Å²	135	50.2 Å²	50.2	63%	0.625	26%	0.258	S	S	*	.	H	α-helix	trans	-57.3	-47.1	-177.2	176.6	-83.8	0	0	0	112.6	D225 F229 K230 V231	D225-H227 PolarHBondContact O-N 3.26Å; H227-F229 PolarHBondContact O-N 3.49Å; H227-K230 PolarHBondContact O-N 3.4Å; H227-K230 VanDerWaalsContact O-N 3.15Å; H227-V231 WeakPolarHBondContact O-CG2 3.41Å; H227-V231 PolarHBondContact O-N 2.8Å
228	D	64	Low	63.6	Low	26 Å²	26	54.6 Å²	54.6	14%	0.139	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-22.5	176.2	-92.5	-32.6	0	0	0	113.1	R13 H16 I226 N232 G233	R13-D228 IonicContact CZ-OD1 3.4Å; R13-D228 IonicContact CZ-OD2 2.93Å; R13-D228 IonicContact NE-OD1 3.91Å; R13-D228 IonicContact NE-OD2 2.76Å; R13-D228 PolarHBondContact NE-OD2 3.42Å; R13-D228 VanDerWaalsContact NH2-CG 3.29Å; R13-D228 IonicContact NH2-OD1 3.69Å; R13-D228 PolarHBondContact NH2-OD1 3.4Å; R13-D228 IonicContact NH2-OD2 3.69Å; R13-D228 PolarHBondContact NH2-OD2 2.66Å; H16-D228 IonicContact CE1-OD2 3.91Å; H16-D228 IonicContact NE2-OD2 3.8Å; I226-D228 HydrophobicContact CG2-CB 4.49Å; I226-D228 PolarHBondContact O-N 2.86Å; D228-N232 CarbonylContact O-C 3.22Å; D228-N232 VanDerWaalsContact O-C 3.22Å; D228-N232 VanDerWaalsContact O-CA 3.25Å; D228-N232 WeakPolarHBondContact O-CA 3.49Å; D228-N232 WeakPolarHBondContact O-CB 3.07Å; D228-N232 PolarHBondContact O-N 3.37Å; D228-N232 PolarHBondContact OD1-ND2 3.36Å; D228-G233 PolarHBondContact O-N 2.9Å
229	F	67.8	Low	61.1	Low	4 Å²	4	58.5 Å²	58.5	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-50.1	171.7	-155.8	-73.2	0	0	0	111.2	F11 Y18 F210 I219 I223 I226 H227 V231 G233 C234	F11-F229 HydrophobicContact CE1-CB 4.4Å; F11-F229 AromaticContact CE1-CD2 3.7Å; F11-F229 HydrophobicContact CE1-CD2 3.7Å; F11-F229 HydrophobicContact CE1-CE2 4.32Å; F11-F229 HydrophobicContact CE1-CG 4.39Å; F11-F229 HydrophobicContact CZ-CD2 4.25Å; Y18-F229 HydrophobicContact CD1-CD2 4.36Å; Y18-F229 AromaticContact CD1-CE2 3.61Å; Y18-F229 HydrophobicContact CD1-CE2 3.61Å; Y18-F229 HydrophobicContact CD1-CZ 4.49Å; Y18-F229 AromaticContact CE1-CE2 3.59Å; Y18-F229 HydrophobicContact CE1-CE2 3.59Å; Y18-F229 HydrophobicContact CE1-CZ 4.15Å; Y18-F229 HydrophobicContact CG-CE2 4.33Å; F210-F229 HydrophobicContact CE1-CE1 4.41Å; F210-F229 AromaticContact CE2-CE1 3.61Å; F210-F229 HydrophobicContact CE2-CE1 3.61Å; F210-F229 HydrophobicContact CE2-CZ 4.04Å; F210-F229 AromaticContact CZ-CE1 3.3Å; F210-F229 HydrophobicContact CZ-CE1 3.3Å; F210-F229 AromaticContact CZ-CZ 3.49Å; F210-F229 HydrophobicContact CZ-CZ 3.49Å; F210-F229 VanDerWaalsContact CZ-CZ 3.49Å; I219-F229 HydrophobicContact CD1-CZ 3.76Å; I223-F229 HydrophobicContact CB-CD2 4.07Å; I223-F229 HydrophobicContact CB-CE2 3.93Å; I223-F229 HydrophobicContact CG2-CD2 3.56Å; I223-F229 HydrophobicContact CG2-CE2 3.79Å; I223-F229 HydrophobicContact CG2-CG 4.42Å; I226-F229 HydrophobicContact CB-CB 3.83Å; I226-F229 HydrophobicContact CG2-CB 4.19Å; I226-F229 WeakPolarHBondContact O-CA 3.43Å; I226-F229 WeakPolarHBondContact O-CB 3.25Å; I226-F229 PolarHBondContact O-N 3.1Å; H227-F229 PolarHBondContact O-N 3.49Å; F229-V231 VanDerWaalsContact C-N 3.31Å; F229-V231 PolarHBondContact O-N 2.98Å; F229-G233 PolarHBondContact O-N 2.8Å; F229-C234 HydrophobicContact CD1-CB 4.21Å; F229-C234 HydrophobicContact CE1-CB 3.5Å; F229-C234 HydrophobicContact CZ-CB 3.97Å; F229-C234 WeakPolarHBondContact CZ-SG 2.73Å; F229-C234 PolarHBondContact O-N 3.06Å
230	K	63.1	Low	58.6	Low	106 Å²	106	63 Å²	63	46%	0.461	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-33.8	178.7	-60.5	-175.3	-173.2	178.8	0	112.8	K224 D225 I226 H227	K224-K230 WeakPolarHBondContact O-CE 3.37Å; K224-K230 VanDerWaalsContact O-CG 3.24Å; K224-K230 WeakPolarHBondContact O-CG 3.2Å; D225-K230 IonicContact OD1-NZ 2.92Å; D225-K230 PolarHBondContact OD1-NZ 2.04Å; I226-K230 PolarHBondContact O-N 2.82Å; I226-K230 VanDerWaalsContact O-N 3.17Å; H227-K230 PolarHBondContact O-N 3.4Å; H227-K230 VanDerWaalsContact O-N 3.15Å
231	V	58.9	Low	56.2	Low	66 Å²	66	67.5 Å²	67.5	40%	0.4	37%	0.374	S	S	.	.	H	α-helix	trans	-101.6	-42.3	-172.9	-177.1	0	0	0	0	113.5	H227 F229	H227-V231 WeakPolarHBondContact O-CG2 3.41Å; H227-V231 PolarHBondContact O-N 2.8Å; F229-V231 VanDerWaalsContact C-N 3.31Å; F229-V231 PolarHBondContact O-N 2.98Å
232	N	59.2	Low	54	Low	69 Å²	69	72.7 Å²	72.7	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-130.2	5	-163.4	-63.2	-57.7	0	0	0	114.5	R13 M214 D228	R13-N232 PolarHBondContact NH2-ND2 3.3Å; R13-N232 VanDerWaalsContact NH2-ND2 3.14Å; M214-N232 VanDerWaalsContact CE-O 3.24Å; M214-N232 WeakPolarHBondContact CE-O 3.38Å; D228-N232 CarbonylContact O-C 3.22Å; D228-N232 VanDerWaalsContact O-C 3.22Å; D228-N232 VanDerWaalsContact O-CA 3.25Å; D228-N232 WeakPolarHBondContact O-CA 3.49Å; D228-N232 WeakPolarHBondContact O-CB 3.07Å; D228-N232 PolarHBondContact O-N 3.37Å; D228-N232 PolarHBondContact OD1-ND2 3.36Å
233	G	60.2	Low	52.2	Low	1 Å²	1	77.7 Å²	77.7	1%	0.01	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-60.6	-177.5	0	0	0	0	0	112.3	C212 M214 D228 F229	C212-G233 PolarHBondContact SG-O 3.4Å; C212-G233 VanDerWaalsContact SG-O 3.37Å; M214-G233 WeakPolarHBondContact CB-O 3.24Å; D228-G233 PolarHBondContact O-N 2.9Å; F229-G233 PolarHBondContact O-N 2.8Å
234	C	66.9	Low	50.6	Low	2 Å²	2	83.7 Å²	83.7	1%	0.014	45%	0.451	C	S	.	.			trans	-148.9	101.6	-179.2	-50.8	0	0	0	0	109.1	F210 C212 F229 I236	F210-C234 HydrophobicContact CE2-CB 3.75Å; C212-C234 HydrophobicContact CB-CB 3.64Å; C212-C234 WeakPolarHBondContact CB-SG 3.39Å; C212-C234 WeakPolarHBondContact SG-CB 3.3Å; C212-C234 CovalentContact SG-SG 2.03Å; C212-C234 PolarHBondContact SG-SG 2.95Å; F229-C234 HydrophobicContact CD1-CB 4.21Å; F229-C234 HydrophobicContact CE1-CB 3.5Å; F229-C234 HydrophobicContact CZ-CB 3.97Å; F229-C234 WeakPolarHBondContact CZ-SG 2.73Å; F229-C234 PolarHBondContact O-N 3.06Å; C234-I236 PolarHBondContact O-N 3.23Å
235	Q	59.3	Low	49.1	Very low	118 Å²	118	87 Å²	87	55%	0.551	47%	0.47	S	S	*	.			trans	-66.3	135.3	174.7	-64.4	-169.6	10.7	0	0	109.6	G237	Q235-G237 VanDerWaalsContact C-N 3.29Å; Q235-G237 PolarHBondContact O-N 3.37Å
236	I	52.5	Low	47.7	Very low	89 Å²	89	87.3 Å²	87.3	46%	0.456	47%	0.472	S	S	.	.			trans	-72.5	92.1	173.4	-53.4	177	0	0	0	107	C234 I238	C234-I236 PolarHBondContact O-N 3.23Å; I236-I238 HydrophobicContact CG2-CG1 3.73Å; I236-I238 PolarHBondContact O-N 3.17Å
237	G	40.5	Very low	45.9	Very low	31 Å²	31	89.2 Å²	89.2	32%	0.32	49%	0.486	S	S	.	.			trans	-67.8	64.8	171.3	0	0	0	0	0	111.5	Q200 Q235 S239	Q200-G237 PolarHBondContact NE2-O 3.15Å; Q235-G237 VanDerWaalsContact C-N 3.29Å; Q235-G237 PolarHBondContact O-N 3.37Å; G237-S239 PolarHBondContact O-N 3.45Å
238	I	39.6	Very low	44.2	Very low	126 Å²	126	88 Å²	88	65%	0.646	49%	0.49	S	S	*	.			trans	-51.3	126.4	170.7	-56	177.1	0	0	0	106.6	I236 S240	I236-I238 HydrophobicContact CG2-CG1 3.73Å; I236-I238 PolarHBondContact O-N 3.17Å; I238-S240 PolarHBondContact O-N 3.38Å
239	S	32.1	Very low	42.6	Very low	81 Å²	81	92.8 Å²	92.8	57%	0.566	52%	0.52	S	S	*	.			trans	-69.1	79.4	175.9	64.1	0	0	0	0	109.9	G237 S241	G237-S239 PolarHBondContact O-N 3.45Å; S239-S241 PolarHBondContact O-N 3.31Å; S239-S241 PolarHBondContact O-OG 2.59Å
240	S	29.4	Very low	40.7	Very low	94 Å²	94	99.1 Å²	99.1	66%	0.657	55%	0.553	S	S	*	*			trans	-62.6	83.7	174.5	-75.2	0	0	0	0	109.5	I238 D242	I238-S240 PolarHBondContact O-N 3.38Å; S240-D242 PolarHBondContact O-N 3.35Å
241	S	29.9	Very low	39.3	Very low	112 Å²	112	99.4 Å²	99.4	78%	0.783	56%	0.564	S	S	*	*			trans	-68.8	-1.3	168.4	-62.3	0	0	0	0	111.6	S239 K243	S239-S241 PolarHBondContact O-N 3.31Å; S239-S241 PolarHBondContact O-OG 2.59Å; S241-K243 VanDerWaalsContact C-N 3.3Å; S241-K243 PolarHBondContact O-N 3.12Å
242	D	29.1	Very low	38	Very low	134 Å²	134	104.5 Å²	104.5	72%	0.717	58%	0.583	S	S	*	*			trans	-64	94.2	156.5	-84.1	-45.4	0	0	0	110.3	S240 I244	S240-D242 PolarHBondContact O-N 3.35Å; D242-I244 PolarHBondContact O-N 3.45Å
243	K	28.7	Very low	36.8	Very low	187 Å²	187	108.6 Å²	108.6	81%	0.813	60%	0.6	S	S	*	*			trans	-65	64.9	176	-168.8	178.7	-174.9	172.2	0	111.4	S241 L245	S241-K243 VanDerWaalsContact C-N 3.3Å; S241-K243 PolarHBondContact O-N 3.12Å; K243-L245 PolarHBondContact O-N 2.87Å
244	I	31.4	Very low	35.4	Very low	138 Å²	138	113 Å²	113	71%	0.708	64%	0.637	S	S	*	*			trans	-65.6	93.3	166.5	-61.6	-175.3	0	0	0	106.9	D242 N246	D242-I244 PolarHBondContact O-N 3.45Å; I244-N246 PolarHBondContact O-N 3.06Å
245	L	29.1	Very low	33.6	Very low	128 Å²	128	118.8 Å²	118.8	67%	0.67	67%	0.672	S	S	*	*			trans	-71.5	72.4	-179.2	179.4	58.3	0	0	0	109.4	K243 T247	K243-L245 PolarHBondContact O-N 2.87Å; L245-T247 WeakPolarHBondContact CD1-OG1 3.19Å; L245-T247 VanDerWaalsContact CG-OG1 3.27Å; L245-T247 WeakPolarHBondContact CG-OG1 3.24Å; L245-T247 PolarHBondContact O-N 3.11Å
246	N	30.4	Very low	32.4	Very low	143 Å²	143	119.8 Å²	119.8	77%	0.765	69%	0.686	S	S	*	*			trans	-69.3	64.5	160.7	-76.2	-9	0	0	0	108.8	I244	I244-N246 PolarHBondContact O-N 3.06Å
247	T	26.8	Very low	31.4	Very low	83 Å²	83	122 Å²	122	51%	0.509	70%	0.704	S	S	.	*			trans	-55.3	131.5	159.4	-44.6	0	0	0	0	105.8	L245 T249	L245-T247 WeakPolarHBondContact CD1-OG1 3.19Å; L245-T247 VanDerWaalsContact CG-OG1 3.27Å; L245-T247 WeakPolarHBondContact CG-OG1 3.24Å; L245-T247 PolarHBondContact O-N 3.11Å; T247-T249 PolarHBondContact O-N 3.5Å
248	P	30.1	Very low	31.1	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	73%	0.728	S	S	*	*			trans	-57.8	116.6	163.9	25.4	-32.1	0	0	0	106.7	L250	P248-L250 PolarHBondContact O-N 3.02Å
249	T	29.2	Very low	30.8	Very low	127 Å²	127	125.1 Å²	125.1	78%	0.779	73%	0.732	S	S	*	*			trans	-67.8	82.1	174.8	-59.2	0	0	0	0	107.8	T247 V251	T247-T249 PolarHBondContact O-N 3.5Å; T249-V251 VanDerWaalsContact C-N 3.31Å; T249-V251 HydrophobicContact CG2-CG2 4.26Å; T249-V251 PolarHBondContact O-N 2.01Å
250	L	29.2	Very low	30.9	Very low	137 Å²	137	129.3 Å²	129.3	72%	0.717	75%	0.747	S	S	*	*			trans	-69.4	94.4	175.6	-160.8	171.7	0	0	0	105.9	P248 E252	P248-L250 PolarHBondContact O-N 3.02Å; L250-E252 VanDerWaalsContact C-N 3.28Å; L250-E252 HydrophobicContact CD2-CG 3.86Å; L250-E252 PolarHBondContact O-N 3.3Å
251	V	32.4	Very low	31.1	Very low	112 Å²	112	129.4 Å²	129.4	68%	0.679	75%	0.748	S	S	*	*			trans	-67.8	91.6	175.1	-178.8	0	0	0	0	107.4	T249 E253	T249-V251 VanDerWaalsContact C-N 3.31Å; T249-V251 HydrophobicContact CG2-CG2 4.26Å; T249-V251 PolarHBondContact O-N 2.01Å; V251-E253 HydrophobicContact CG1-CG 4.09Å; V251-E253 PolarHBondContact O-N 3.32Å
252	E	33.4	Very low	31.1	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.813	75%	0.751	S	S	*	*			trans	-66.4	79.9	165.7	-74	-161.1	117.6	0	0	109.3	L250 A254	L250-E252 VanDerWaalsContact C-N 3.28Å; L250-E252 HydrophobicContact CD2-CG 3.86Å; L250-E252 PolarHBondContact O-N 3.3Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 3.3Å
253	E	32	Very low	31.6	Very low	155 Å²	155	131.6 Å²	131.6	72%	0.724	75%	0.753	S	S	*	*			trans	-63.6	96.7	158	-80.6	-130.1	125.5	0	0	108.3	V251 T255	V251-E253 HydrophobicContact CG1-CG 4.09Å; V251-E253 PolarHBondContact O-N 3.32Å; E253-T255 PolarHBondContact O-N 3.2Å; E253-T255 PolarHBondContact O-OG1 2.92Å
254	A	31.9	Very low	31.9	Very low	94 Å²	94	128.9 Å²	128.9	78%	0.777	75%	0.747	S	S	*	*			trans	-66.8	69	-177.1	0	0	0	0	0	112.7	E252 T256	E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 3.3Å; A254-T256 PolarHBondContact O-N 3.24Å
255	T	29.8	Very low	32	Very low	122 Å²	122	129 Å²	129	75%	0.748	75%	0.748	S	S	*	*			trans	-77.3	111.6	179	40.6	0	0	0	0	110.4	E253	E253-T255 PolarHBondContact O-N 3.2Å; E253-T255 PolarHBondContact O-OG1 2.92Å
256	T	34.2	Very low	32.4	Very low	139 Å²	139	130.2 Å²	130.2	85%	0.853	75%	0.754	S	S	*	*			trans	-68.9	134.4	-169.3	-52.5	0	0	0	0	112	A254 S258	A254-T256 PolarHBondContact O-N 3.24Å; T256-S258 PolarHBondContact O-N 3.4Å
257	T	30.6	Very low	32.7	Very low	135 Å²	135	130.3 Å²	130.3	83%	0.828	75%	0.754	S	S	*	*			trans	-60.1	115.3	-175.6	-43.6	0	0	0	0	113.6
258	S	34.4	Very low	33.2	Very low	119 Å²	119	133.9 Å²	133.9	83%	0.832	77%	0.765	S	S	*	*			trans	-163.3	127.3	144	-83.5	0	0	0	0	111.6	T256	T256-S258 PolarHBondContact O-N 3.4Å
259	S	32.3	Very low	33.3	Very low	105 Å²	105	133.3 Å²	133.3	73%	0.734	76%	0.764	S	S	*	*			trans	-69.7	141.7	174.4	54.8	0	0	0	0	112.9
260	I	35.7	Very low	33.7	Very low	168 Å²	168	135.2 Å²	135.2	86%	0.862	76%	0.764	S	S	*	*				-179.6	152.5	124.7	-92	153.1	0	0	0	109.5
261	S	33.3	Very low	33.9	Very low	97 Å²	97	139 Å²	139	68%	0.678	77%	0.769	S	S	*	*			trans	-73.6	158.5	-167.3	-44.5	0	0	0	0	116.4
262	E	29.8	Very low	33.8	Very low	185 Å²	185	138 Å²	138	86%	0.864	76%	0.763	S	S	*	*			trans	40	108.3	142.7	-64.7	175.5	138.9	0	0	119.6
263	S	38.7	Very low	33.9	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	76%	0.756	S	S	*	*				-179.4	134.9	126.8	-107.6	0	0	0	0	112
264	D	35.9	Very low	34.1	Very low	130 Å²	130	137.2 Å²	137.2	70%	0.695	76%	0.763	S	S	*	*			trans	47	105.4	143.5	-51.6	-32	0	0	0	119.5
265	L	33.9	Very low	34.2	Very low	141 Å²	141	141.3 Å²	141.3	74%	0.738	77%	0.766	S	S	*	*				91.9	132.5	77.1	-84.2	167.8	0	0	0	114.6
266	I	37	Very low	34.8	Very low	153 Å²	153	140.1 Å²	140.1	79%	0.785	76%	0.761	S	S	*	*			trans	69.9	144.9	149.8	-67.7	165.5	0	0	0	116.2
267	D	36.9	Very low	34.9	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	76%	0.761	S	S	*	*			cis	-173.8	-169.8	-18.5	-173.8	13.1	0	0	0	107.2
268	E	36.1	Very low	35.3	Very low	158 Å²	158	139.6 Å²	139.6	74%	0.738	75%	0.748	S	S	*	*			trans	77.9	97.2	165.2	-66.2	-155.3	107.8	0	0	120.4
269	S	31.6	Very low	35.4	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	74%	0.744	S	S	*	*			trans	-38.7	150.1	149.7	56.9	0	0	0	0	118.9
270	Q	37.7	Very low	35.7	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	75%	0.752	S	S	*	*				-174.6	129.8	129.5	-98.4	153.6	89.9	0	0	109.3
271	R	34.3	Very low	35.7	Very low	217 Å²	217	142.5 Å²	142.5	82%	0.819	75%	0.747	S	S	*	*				61.4	133.3	77.6	-79.3	-157.4	62.6	163.4	-0.2	114.7
272	T	31.3	Very low	35.7	Very low	90 Å²	90	144.4 Å²	144.4	55%	0.552	75%	0.75	S	S	*	*			cis	-161.2	-180	-15	-46.1	0	0	0	0	108
273	D	35.2	Very low	35.9	Very low	124 Å²	124	140.4 Å²	140.4	66%	0.663	74%	0.742	S	S	*	*			trans	101.8	137.2	144.5	-56.4	-37.5	0	0	0	121.9
274	Q	36.4	Very low	35.8	Very low	188 Å²	188	139.5 Å²	139.5	88%	0.879	74%	0.736	S	S	*	*			trans	91.1	94.3	152.2	-75.6	158.3	59.2	0	0	122.8
275	E	32.2	Very low	35.8	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	74%	0.739	S	S	*	*			trans	-61.6	-179	139.9	-101.3	-161.8	111.1	0	0	113.7
276	P	42.7	Very low	35.9	Very low	98 Å²	98	139.3 Å²	139.3	64%	0.636	74%	0.735	S	S	*	*			cis	-134.4	-131.4	-33.9	38	-17.4	0	0	0	111.2
277	E	37	Very low	36	Very low	182 Å²	182	139 Å²	139	85%	0.85	74%	0.735	S	S	*	*			trans	74.7	142.4	174.2	-71.7	-172	-149.9	0	0	118.1
278	S	39.1	Very low	35.7	Very low	81 Å²	81	138.8 Å²	138.8	57%	0.566	73%	0.733	S	S	*	*			cis	-160.9	175.7	-14.6	69.4	0	0	0	0	112.5
279	D	36.3	Very low	35.7	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	74%	0.737	S	S	*	*			trans	52.4	120.4	150.5	-54.1	-47.3	0	0	0	122.3
280	L	39.8	Very low	35.7	Very low	175 Å²	175	139.7 Å²	139.7	92%	0.916	74%	0.74	S	S	*	*				-170.7	156.7	87.5	-94.8	175.6	0	0	0	112.1
281	N	34.2	Very low	35.4	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	74%	0.739	S	S	*	*			trans	-143.5	149.4	-159.6	-170.8	12	0	0	0	114.7
282	N	32.7	Very low	35.2	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	74%	0.737	S	S	*	*			trans	86.5	159.6	141.3	-129.9	-21.7	0	0	0	122.9
283	S	35.2	Very low	35.1	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	75%	0.746	S	S	*	*			trans	87.1	132.4	150.6	-166.6	0	0	0	0	118.8
284	S	35.6	Very low	35	Very low	87 Å²	87	134.5 Å²	134.5	61%	0.608	75%	0.752	S	S	*	*			cis	-165.8	-174	-12.6	-83.6	0	0	0	0	109
285	D	36.8	Very low	34.6	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	75%	0.751	S	S	*	*			trans	80.2	136.8	158.6	-63.5	-7.2	0	0	0	117.8
286	N	36.7	Very low	34.6	Very low	123 Å²	123	134.1 Å²	134.1	66%	0.658	75%	0.75	S	S	*	*			cis	-162	160.5	-6	-125.9	-45.5	0	0	0	114.5
287	L	37.7	Very low	34	Very low	147 Å²	147	134.1 Å²	134.1	77%	0.77	75%	0.753	S	S	*	*			trans	61.9	87.4	154.8	-60.5	176.1	0	0	0	122.3
288	L	30.8	Very low	33.5	Very low	140 Å²	140	131.8 Å²	131.8	73%	0.733	75%	0.751	S	S	*	*				32.1	119.3	110.2	-176.8	67.4	0	0	0	120.3
289	N	36.2	Very low	33	Very low	156 Å²	156	134.1 Å²	134.1	83%	0.834	76%	0.762	S	S	*	*				-158.9	163.5	126.4	-117.2	-3.7	0	0	0	112
290	T	31.4	Very low	32.5	Very low	120 Å²	120	133.2 Å²	133.2	74%	0.736	76%	0.762	S	S	*	*			trans	-105.6	-177.5	-156	7.1	0	0	0	0	114.8
291	P	31.4	Very low	32.1	Very low	117 Å²	117	130.3 Å²	130.3	76%	0.76	76%	0.756	S	S	*	*			trans	-100.8	166.3	-138.2	41.8	-38.8	0	0	0	116
292	T	30.5	Very low	31.8	Very low	128 Å²	128	128 Å²	128	79%	0.785	75%	0.751	S	S	*	*			trans	-147.4	139.7	166.6	-52.2	0	0	0	0	108.3
293	P	28.9	Very low	31.7	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	75%	0.753	S	S	*	*			trans	-72.4	157.3	178.8	30.8	-36.7	0	0	0	112.5
294	V	32.8	Very low	31.6	Very low	129 Å²	129	129.7 Å²	129.7	78%	0.782	76%	0.76	S	S	*	*			trans	-97.2	100.1	164.1	179.4	0	0	0	0	108	E296	V294-E296 HydrophobicContact CG1-CB 4.36Å; V294-E296 HydrophobicContact CG1-CG 4.44Å
295	E	28.6	Very low	31.4	Very low	187 Å²	187	134 Å²	134	87%	0.874	77%	0.77	S	S	*	*			trans	-94.5	109.8	150.6	-77	-167.5	171.4	0	0	107.9
296	E	31.9	Very low	31.1	Very low	173 Å²	173	132.4 Å²	132.4	81%	0.808	77%	0.77	S	S	*	*			trans	-146.3	137.6	162.2	-76.7	-167.7	143.9	0	0	108.9	V294	V294-E296 HydrophobicContact CG1-CB 4.36Å; V294-E296 HydrophobicContact CG1-CG 4.44Å
297	S	31.1	Very low	31	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	78%	0.775	S	S	*	*			cis	-157.5	140.5	-31.9	49	0	0	0	0	108.1	T299	S297-T299 PolarHBondContact O-N 3.44Å
298	T	25.5	Very low	30.6	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	78%	0.776	S	S	*	*			trans	-72.5	119.7	177.8	37.6	0	0	0	0	111	T300	T298-T300 PolarHBondContact O-N 3.01Å
299	T	28.7	Very low	30.6	Very low	129 Å²	129	134 Å²	134	79%	0.791	78%	0.778	S	S	*	*			trans	-84.1	54.4	-179.3	-35.1	0	0	0	0	112.8	S297 S301	S297-T299 PolarHBondContact O-N 3.44Å; T299-S301 PolarHBondContact O-N 3.5Å
300	T	25.7	Very low	30.5	Very low	119 Å²	119	133.2 Å²	133.2	73%	0.73	77%	0.774	S	S	*	*			trans	-82.7	92.1	168.9	-54.7	0	0	0	0	109	T298 S302	T298-T300 PolarHBondContact O-N 3.01Å; T300-S302 VanDerWaalsContact C-N 3.32Å; T300-S302 PolarHBondContact O-N 3.04Å
301	S	31.7	Very low	30.6	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	77%	0.774	S	S	*	*			trans	-71.5	82.6	178.8	-65	0	0	0	0	112.2	T299	T299-S301 PolarHBondContact O-N 3.5Å
302	S	27.1	Very low	30.5	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	77%	0.767	S	S	*	*			trans	-67.6	131.6	172.4	58.7	0	0	0	0	112.4	T300	T300-S302 VanDerWaalsContact C-N 3.32Å; T300-S302 PolarHBondContact O-N 3.04Å
303	I	31.6	Very low	30.7	Very low	150 Å²	150	135.3 Å²	135.3	77%	0.769	77%	0.766	S	S	*	*			trans	22.6	126.7	140.9	-51.9	173.6	0	0	0	117.1
304	S	33.3	Very low	31	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	76%	0.762	S	S	*	*			trans	-141.4	131.3	152.2	-73.5	0	0	0	0	110.5
305	E	30.1	Very low	31	Very low	179 Å²	179	136.8 Å²	136.8	84%	0.836	75%	0.753	S	S	*	*			trans	-79.5	148	-178.6	-52.4	164.1	115.2	0	0	111.5
306	S	30.7	Very low	31.4	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	74%	0.74	S	S	*	*			trans	-176.6	163.9	141.6	-80.5	0	0	0	0	111.2
307	D	36.3	Very low	31.6	Very low	144 Å²	144	132.4 Å²	132.4	77%	0.77	74%	0.736	S	S	*	*			trans	58.4	82.3	167.7	-55.2	-16.3	0	0	0	115.9
308	L	28.2	Very low	31.8	Very low	149 Å²	149	135.7 Å²	135.7	78%	0.78	74%	0.741	S	S	*	*				64.5	129.3	57.2	-59.3	171.9	0	0	0	116
309	I	31.9	Very low	32.9	Very low	151 Å²	151	134 Å²	134	77%	0.774	73%	0.732	S	S	*	*			trans	74.9	134	152.2	-66.6	160.2	0	0	0	114.9
310	D	32.4	Very low	33.3	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	73%	0.734	S	S	*	*			cis	-153.2	-174.4	3.2	-140.5	-32.7	0	0	0	112.7
311	E	34.2	Very low	33.9	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	73%	0.728	S	S	*	*			trans	42.8	108.4	157.2	-63	-167	126.5	0	0	118.5
312	S	29.4	Very low	34.3	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	72%	0.724	S	S	*	*			cis	77.7	136.2	48.5	99.8	0	0	0	0	116.3
313	Q	34.6	Very low	34.8	Very low	162 Å²	162	138.2 Å²	138.2	76%	0.757	73%	0.729	S	S	*	*			trans	74.3	144.1	162.8	-64.6	-174.1	71.7	0	0	116.2
314	R	35.6	Very low	34.9	Very low	179 Å²	179	137.3 Å²	137.3	68%	0.675	73%	0.726	S	S	*	*			cis	-169.5	145.9	5.9	-131.9	-176.4	71.2	173.9	5.5	114.1
315	T	31.8	Very low	34.9	Very low	96 Å²	96	138.2 Å²	138.2	59%	0.589	72%	0.721	S	S	*	*			trans	53.8	162.7	143.8	45.5	0	0	0	0	119.5
316	D	38.3	Very low	34.9	Very low	113 Å²	113	134.1 Å²	134.1	60%	0.604	71%	0.712	S	S	*	*			cis	-142.9	162.8	0.2	-87.6	-50.2	0	0	0	104.3
317	Q	35.7	Very low	35.2	Very low	154 Å²	154	134.5 Å²	134.5	72%	0.72	72%	0.715	S	S	*	*			cis	-174.2	170.2	0.4	-102.3	163.4	31.9	0	0	104.8
318	E	36	Very low	35.1	Very low	168 Å²	168	134.2 Å²	134.2	79%	0.785	71%	0.714	S	S	*	*			cis	176.9	-172.2	-23	-133.4	-159.5	138.4	0	0	106.5
319	P	47.1	Very low	35.1	Very low	98 Å²	98	133.6 Å²	133.6	64%	0.636	71%	0.711	S	S	*	*				-136.3	-134.6	-120.1	47	-26.1	0	0	0	115.7
320	E	38.6	Very low	35.2	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	71%	0.713	S	S	*	*			trans	101.2	135.5	166	-64.3	-164.6	-179.1	0	0	118.3
321	S	37.4	Very low	35	Very low	84 Å²	84	134.5 Å²	134.5	59%	0.587	72%	0.716	S	S	*	*			cis	-160.8	168.2	-12.1	64.2	0	0	0	0	114.9
322	D	39.6	Very low	35	Very low	133 Å²	133	131.3 Å²	131.3	71%	0.711	71%	0.711	S	S	*	*			trans	67.5	155.6	158.5	-59.5	-53.7	0	0	0	118.9
323	L	37.4	Very low	35.2	Very low	147 Å²	147	133.2 Å²	133.2	77%	0.77	72%	0.719	S	S	*	*			cis	-154.6	145.2	-21.3	-104.2	171.7	0	0	0	106
324	N	34.5	Very low	35.5	Very low	130 Å²	130	130.6 Å²	130.6	70%	0.695	72%	0.716	S	S	*	*			cis	77	142.3	24	-112.5	-19.1	0	0	0	115.4
325	N	32.8	Very low	35.4	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	73%	0.725	S	S	*	*			cis	-157.5	175.5	9.2	-159	-7.9	0	0	0	113.5
326	S	31.5	Very low	35.6	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	73%	0.731	S	S	*	*			trans	-78.3	175.8	178.1	-174.5	0	0	0	0	115.9
327	S	35.9	Very low	35.5	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	74%	0.737	S	S	*	*			trans	-158.1	143.7	157.8	-77.5	0	0	0	0	113.8
328	D	33.6	Very low	35.5	Very low	138 Å²	138	130.5 Å²	130.5	74%	0.738	74%	0.741	S	S	*	*			trans	-90.5	161.2	-162.2	-75.5	-82.7	0	0	0	119
329	N	29.4	Very low	35.3	Very low	136 Å²	136	130.6 Å²	130.6	73%	0.727	74%	0.741	S	S	*	*			trans	42.9	126.3	141.1	-76.7	-72.8	0	0	0	122
330	L	33.5	Very low	34.7	Very low	157 Å²	157	131.6 Å²	131.6	82%	0.822	75%	0.75	S	S	*	*				172	130.4	104.7	-91.1	178.5	0	0	0	116
331	L	29.2	Very low	34.1	Very low	151 Å²	151	129.3 Å²	129.3	79%	0.791	75%	0.749	S	S	*	*			trans	79.1	116.8	132.8	-162.3	62.4	0	0	0	123.6
332	S	33	Very low	33.7	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	76%	0.76	S	S	*	*			trans	81.4	90.1	147	-67.6	0	0	0	0	124.2
333	T	32.9	Very low	33	Very low	127 Å²	127	132.1 Å²	132.1	78%	0.779	77%	0.767	S	S	*	*				4.6	165.5	115.4	54.4	0	0	0	0	121.7
334	P	41.7	Very low	32.6	Very low	107 Å²	107	129.1 Å²	129.1	70%	0.695	76%	0.759	S	S	*	*			cis	-142.1	177.9	-23.8	37.1	-18.7	0	0	0	115.6
335	T	34.2	Very low	32.2	Very low	140 Å²	140	128.8 Å²	128.8	86%	0.859	77%	0.767	S	S	*	*			trans	-154.4	134.2	141.1	-57.1	0	0	0	0	109.9
336	P	35.9	Very low	32	Very low	112 Å²	112	129.1 Å²	129.1	73%	0.727	77%	0.767	S	S	*	*			trans	-113.8	-159.3	-173.6	44.2	-36.5	0	0	0	114.8
337	V	36.2	Very low	31.8	Very low	119 Å²	119	129.8 Å²	129.8	72%	0.721	77%	0.771	S	S	*	*			trans	100.8	89.7	-175	179.9	0	0	0	0	110.7
338	E	34.7	Very low	31.5	Very low	170 Å²	170	132.6 Å²	132.6	79%	0.794	77%	0.771	S	S	*	*				80.6	141.4	77.5	-72.6	169.6	179.8	0	0	112.3
339	E	33.1	Very low	31.2	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	77%	0.769	S	S	*	*			cis	-148.8	165.8	18.9	-152.2	175.3	-173.2	0	0	113.8
340	S	33.1	Very low	31.2	Very low	118 Å²	118	130.9 Å²	130.9	83%	0.825	77%	0.77	S	S	*	*			trans	66.3	121.3	166.6	67.5	0	0	0	0	119.2
341	T	26.1	Very low	31.1	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	78%	0.777	S	S	*	*			trans	-118.4	149.9	171.5	48.1	0	0	0	0	109.6
342	T	28.8	Very low	31.3	Very low	134 Å²	134	132.3 Å²	132.3	82%	0.822	78%	0.777	S	S	*	*			trans	-157.5	107.4	144.7	-14.5	0	0	0	0	110.5
343	T	25.5	Very low	31.2	Very low	141 Å²	141	132.8 Å²	132.8	87%	0.865	77%	0.772	S	S	*	*			trans	-93	131.3	162.7	-45.8	0	0	0	0	107.2
344	S	29	Very low	31.1	Very low	85 Å²	85	136 Å²	136	59%	0.594	78%	0.778	S	S	*	*			trans	-147.2	101.8	175.2	-66.7	0	0	0	0	110.4	I346	S344-I346 PolarHBondContact O-N 2.69Å
345	S	26.1	Very low	30.6	Very low	122 Å²	122	136 Å²	136	85%	0.853	78%	0.781	S	S	*	*			trans	-67.1	119.9	159.3	49.6	0	0	0	0	108.5
346	I	28.7	Very low	30.4	Very low	149 Å²	149	137.5 Å²	137.5	76%	0.764	78%	0.778	S	S	*	*			trans	-130	127.8	172.3	-62.4	-179.3	0	0	0	107.4	S344	S344-I346 PolarHBondContact O-N 2.69Å
347	S	26.9	Very low	30.4	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	79%	0.785	S	S	*	*			trans	-102.5	165.7	164.5	-55.5	0	0	0	0	108.5
348	E	29.3	Very low	30.2	Very low	177 Å²	177	143 Å²	143	83%	0.827	78%	0.784	S	S	*	*			trans	72.1	116.3	166.9	-59.3	-178.4	151.9	0	0	117.4
349	S	28.7	Very low	29.8	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	79%	0.788	S	S	*	*				69.1	142.4	124.2	-49.1	0	0	0	0	122.5
350	D	27.7	Very low	29.7	Very low	139 Å²	139	143 Å²	143	74%	0.743	79%	0.79	S	S	*	*			trans	53.5	95.6	150.8	-53.8	-19.6	0	0	0	119.6
351	L	32.3	Very low	29.5	Very low	185 Å²	185	145.8 Å²	145.8	97%	0.969	79%	0.79	S	S	*	*			trans	-136.7	145.1	133.5	-83.9	-172.7	0	0	0	111.6
352	I	32.8	Very low	30.1	Very low	153 Å²	153	145.4 Å²	145.4	79%	0.785	79%	0.789	S	S	*	*			trans	-124.7	149.3	-167.6	-77.6	171.7	0	0	0	109.9
353	D	31.3	Very low	30.2	Very low	103 Å²	103	147.2 Å²	147.2	55%	0.551	79%	0.788	S	S	*	*			trans	58.5	118.6	163.2	-173.1	27.9	0	0	0	118.6	S355	D353-S355 PolarHBondContact OD1-N 3.42Å
354	E	30.8	Very low	30.3	Very low	195 Å²	195	145.9 Å²	145.9	91%	0.911	79%	0.785	S	S	*	*				-146.1	90.2	129.7	-163.1	176.3	-130	0	0	111.6
355	S	32.5	Very low	30.5	Very low	108 Å²	108	149.5 Å²	149.5	76%	0.755	80%	0.798	S	S	*	*			trans	-151.2	41.5	158.4	56.5	0	0	0	0	114.7	D353 R357	D353-S355 PolarHBondContact OD1-N 3.42Å; S355-R357 PolarHBondContact O-N 2.74Å; S355-R357 VanDerWaalsContact O-N 3.1Å
356	Q	29.9	Very low	30.7	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.794	80%	0.796	S	S	*	*			trans	-59.8	112.7	163.3	-67.8	-175.3	18.8	0	0	110.9
357	R	34.3	Very low	30.8	Very low	233 Å²	233	151 Å²	151	88%	0.879	80%	0.797	S	S	*	*			trans	-152.5	74.5	160.5	-147.5	166.9	177.6	164	-1.9	116.2	S355	S355-R357 PolarHBondContact O-N 2.74Å; S355-R357 VanDerWaalsContact O-N 3.1Å
358	T	31.6	Very low	30.7	Very low	113 Å²	113	152.7 Å²	152.7	69%	0.693	80%	0.798	S	S	*	*			trans	31.3	115.9	138.1	-17.7	0	0	0	0	119	Q360	T358-Q360 PolarHBondContact O-N 2.97Å
359	D	27.6	Very low	30.7	Very low	166 Å²	166	149.2 Å²	149.2	89%	0.888	79%	0.793	S	S	*	*			trans	-59.8	119.6	160.4	-42.9	-89.9	0	0	0	110.7
360	Q	30	Very low	30.7	Very low	175 Å²	175	149 Å²	149	82%	0.818	79%	0.791	S	S	*	*			trans	-147.2	101.2	160.7	-74.6	-157.9	-27.6	0	0	110.4	T358	T358-Q360 PolarHBondContact O-N 2.97Å
361	E	29.3	Very low	30.8	Very low	177 Å²	177	149 Å²	149	83%	0.827	79%	0.792	S	S	*	*			trans	-61.8	136.5	152.7	-70.3	-178.1	90.9	0	0	109.9
362	P	38.3	Very low	30.8	Very low	124 Å²	124	147.1 Å²	147.1	81%	0.805	78%	0.782	S	S	*	*			trans	-84.9	110.4	144.8	31.3	-23.6	0	0	0	108.1
363	E	30.7	Very low	30.6	Very low	172 Å²	172	146.8 Å²	146.8	80%	0.804	78%	0.781	S	S	*	*			trans	-53.5	158	178.1	-70.7	-173.1	136.3	0	0	112.9	D365	E363-D365 PolarHBondContact O-N 3.15Å
364	S	29	Very low	30.6	Very low	114 Å²	114	149 Å²	149	80%	0.797	79%	0.792	S	S	*	*			trans	-53.3	134	168	59.3	0	0	0	0	112.2
365	D	33.7	Very low	30.6	Very low	161 Å²	161	143.8 Å²	143.8	86%	0.861	78%	0.778	S	S	*	*			trans	-133.3	141.5	155	-146.6	-12.6	0	0	0	111.9	E363	E363-D365 PolarHBondContact O-N 3.15Å
366	L	29.2	Very low	30.7	Very low	157 Å²	157	144.4 Å²	144.4	82%	0.822	78%	0.777	S	S	*	*			trans	-85.6	152.8	-164.4	-63.8	155.5	0	0	0	111.1
367	N	29.9	Very low	31.1	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	78%	0.777	S	S	*	*				157.1	159.1	110.9	-162.7	8.4	0	0	0	113
368	N	26	Very low	31.2	Very low	141 Å²	141	136.8 Å²	136.8	75%	0.754	77%	0.77	S	S	*	*			trans	-61.6	156.3	178.7	-55.3	-95.8	0	0	0	114
369	S	28.4	Very low	31.6	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	77%	0.772	S	S	*	*				162.9	112.8	106.4	173.3	0	0	0	0	116
370	S	28.8	Very low	31.9	Very low	95 Å²	95	134.6 Å²	134.6	66%	0.664	77%	0.765	S	S	*	*			trans	60.9	125.2	133.9	-35.3	0	0	0	0	122.6
371	D	30.2	Very low	32.2	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	77%	0.766	S	S	*	*			trans	46.8	117	135.6	-50.5	-21.4	0	0	0	121.1
372	N	31.9	Very low	32.5	Very low	145 Å²	145	135.3 Å²	135.3	78%	0.775	77%	0.768	S	S	*	*				-172.4	150.5	92.7	-102.2	-80.8	0	0	0	115.8
373	L	29.8	Very low	32.4	Very low	146 Å²	146	133.2 Å²	133.2	76%	0.764	76%	0.756	S	S	*	*			trans	-25.5	154.7	161.9	-51.9	170.5	0	0	0	116.3
374	L	30.2	Very low	32.6	Very low	148 Å²	148	131.2 Å²	131.2	78%	0.775	76%	0.756	S	S	*	*				-174.5	132.4	59.6	-174.5	62.9	0	0	0	115.6
375	S	32.4	Very low	32.8	Very low	87 Å²	87	131 Å²	131	61%	0.608	75%	0.75	S	S	*	*			trans	63.9	104.7	148.2	-65.1	0	0	0	0	124.9
376	T	33.8	Very low	32.6	Very low	120 Å²	120	129.2 Å²	129.2	74%	0.736	75%	0.745	S	S	*	*				43.6	147.1	104.9	61.4	0	0	0	0	121.5
377	P	38.3	Very low	32.7	Very low	124 Å²	124	127 Å²	127	81%	0.805	74%	0.743	S	S	*	*			cis	-145.5	165.7	41.5	41.2	-21.5	0	0	0	120.6
378	T	36	Very low	32.5	Very low	119 Å²	119	124.9 Å²	124.9	73%	0.73	74%	0.739	S	S	*	*			trans	-110.9	168	174.6	-15.7	0	0	0	0	111.5
379	P	40	Very low	32.7	Very low	112 Å²	112	125.8 Å²	125.8	73%	0.727	74%	0.742	S	S	*	*				-131.4	137.1	105.7	16.3	3.6	0	0	0	112.2
380	V	34.4	Very low	32.7	Very low	122 Å²	122	125 Å²	125	74%	0.739	74%	0.737	S	S	*	*				64.2	104.4	74.1	176.7	0	0	0	0	111.4
381	E	36	Very low	32.8	Very low	179 Å²	179	126.3 Å²	126.3	84%	0.836	73%	0.733	S	S	*	*				91.6	123.6	51.5	-96.5	-155.5	-124.9	0	0	115.4
382	E	36.6	Very low	32.9	Very low	187 Å²	187	123.5 Å²	123.5	87%	0.874	72%	0.724	S	S	*	*			trans	-170	146.9	137.6	-96	-170	-179.3	0	0	107.2
383	S	36.2	Very low	32.9	Very low	81 Å²	81	120.3 Å²	120.3	57%	0.566	71%	0.707	S	S	*	*			cis	-165.6	148.2	-16	50.6	0	0	0	0	112.2
384	T	33.6	Very low	32.9	Very low	129 Å²	129	117.1 Å²	117.1	79%	0.791	69%	0.69	S	S	*	*			trans	60.6	146	155.6	54	0	0	0	0	120.2
385	T	32.5	Very low	33	Very low	111 Å²	111	115.9 Å²	115.9	68%	0.681	68%	0.683	S	S	*	*			cis	-153.8	135.8	-3	22.1	0	0	0	0	107.8
386	T	29.6	Very low	33.1	Very low	122 Å²	122	118.2 Å²	118.2	75%	0.748	69%	0.689	S	S	*	*				48.6	134	88.9	12.2	0	0	0	0	115.3
387	S	31.3	Very low	33.1	Very low	111 Å²	111	119.9 Å²	119.9	78%	0.776	69%	0.688	S	S	*	*			cis	-148.4	169	14.1	-61.3	0	0	0	0	113.3
388	S	26.8	Very low	32.9	Very low	101 Å²	101	118.1 Å²	118.1	71%	0.706	68%	0.679	S	S	*	*			trans	-91.6	-168.8	165.3	51.1	0	0	0	0	112.4
389	I	29.7	Very low	33	Very low	159 Å²	159	119.9 Å²	119.9	82%	0.815	68%	0.679	S	S	*	*			trans	82.2	140.4	172.4	-52.9	160.8	0	0	0	113.8
390	S	29.3	Very low	32.8	Very low	87 Å²	87	123.8 Å²	123.8	61%	0.608	68%	0.679	S	S	*	*			cis	-169.8	164.7	-27	-89.5	0	0	0	0	108.3
391	E	30.2	Very low	32.8	Very low	123 Å²	123	122.9 Å²	122.9	58%	0.575	67%	0.674	S	S	*	*			trans	46.9	134.7	142.3	-68.4	169.5	141	0	0	123.3	T514 S516	E391-T514 HydrophobicContact CB-CG2 4.32Å; E391-T514 HydrophobicContact CG-CG2 4.22Å; E391-S516 WeakPolarHBondContact OE1-CB 3.16Å; E391-S516 PolarHBondContact OE1-OG 3.26Å
392	S	31.6	Very low	32.9	Very low	81 Å²	81	120.4 Å²	120.4	57%	0.566	67%	0.667	S	S	*	*			trans	94.8	115.7	139.8	-63.6	0	0	0	0	124.7	T514	S392-T514 VanDerWaalsContact CA-OG1 3.23Å; S392-T514 WeakPolarHBondContact CA-OG1 2.98Å; S392-T514 WeakPolarHBondContact CB-OG1 3.49Å; S392-T514 WeakPolarHBondContact OG-CG2 3.48Å; S392-T514 PolarHBondContact OG-OG1 2.68Å
393	D	31.8	Very low	32.7	Very low	77 Å²	77	119.5 Å²	119.5	41%	0.412	66%	0.662	S	S	.	*			trans	62.6	119.1	132	-80.4	116.3	0	0	0	122.9	T513 T514	D393-T513 WeakPolarHBondContact CA-O 3.2Å; D393-T513 PolarHBondContact N-O 3.02Å; D393-T513 WeakPolarHBondContact OD2-CA 3.45Å; D393-T513 PolarHBondContact OD2-N 3.38Å; D393-T514 PolarHBondContact OD1-OG1 2.96Å
394	L	31.5	Very low	32.6	Very low	80 Å²	80	123.2 Å²	123.2	42%	0.419	67%	0.671	S	S	.	*			trans	66.9	125.7	134.4	-71.6	174.6	0	0	0	123.1	T513	L394-T513 PolarHBondContact N-OG1 2.88Å
395	I	32	Very low	32.8	Very low	121 Å²	121	122.1 Å²	122.1	62%	0.621	67%	0.666	S	S	*	*				28.4	118.5	125.6	-53.6	-178.6	0	0	0	116
396	D	33.6	Very low	32.8	Very low	136 Å²	136	124.7 Å²	124.7	73%	0.727	67%	0.67	S	S	*	*				-167.3	168.7	74.3	-156.9	9.2	0	0	0	116.5
397	E	34.9	Very low	33.1	Very low	155 Å²	155	123.9 Å²	123.9	72%	0.724	67%	0.67	S	S	*	*			trans	32.2	109.6	157	-91.3	-156.3	153.7	0	0	123
398	S	34.2	Very low	33	Very low	88 Å²	88	125.3 Å²	125.3	62%	0.615	67%	0.668	S	S	*	*				70.7	131.4	125	82.5	0	0	0	0	120
399	Q	36.7	Very low	33.4	Very low	155 Å²	155	126.9 Å²	126.9	72%	0.724	67%	0.668	S	S	*	*				-175	145.2	67.1	-89.5	-163.8	22.3	0	0	114.6
400	R	37.2	Very low	33.5	Very low	195 Å²	195	123.2 Å²	123.2	74%	0.736	65%	0.65	S	S	*	*			trans	80.3	119.6	139.2	-73.8	172.4	67.5	158.5	7.3	123
401	T	34.1	Very low	33.4	Very low	103 Å²	103	124 Å²	124	63%	0.632	65%	0.648	S	S	*	*			trans	65.7	129.3	135.6	59.4	0	0	0	0	118
402	D	36.9	Very low	33.4	Very low	127 Å²	127	122.9 Å²	122.9	68%	0.679	65%	0.653	S	S	*	*			cis	-162.9	167	11.4	-99.9	-0.2	0	0	0	108.2
403	Q	33.6	Very low	33.4	Very low	167 Å²	167	123.3 Å²	123.3	78%	0.78	66%	0.656	S	S	*	*			cis	-156.2	-175	8.4	-133.3	163.5	70.9	0	0	111.9
404	E	34.5	Very low	33.4	Very low	159 Å²	159	126.2 Å²	126.2	74%	0.743	67%	0.672	S	S	*	*			trans	-77.2	-174.6	177.6	-82.1	175.1	113.9	0	0	116
405	P	37.5	Very low	33.3	Very low	107 Å²	107	128.7 Å²	128.7	70%	0.695	69%	0.685	S	S	*	*			cis	-134.6	154.4	1.8	17.5	8.6	0	0	0	119.5
406	E	31.5	Very low	33.1	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	69%	0.692	S	S	*	*			trans	47.8	158.7	130.8	-56.7	-170.2	136.9	0	0	125.5
407	S	35.6	Very low	32.9	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	69%	0.69	S	S	*	*			trans	77.1	148.2	156.6	77.5	0	0	0	0	118.3
408	D	30.8	Very low	32.7	Very low	140 Å²	140	130.2 Å²	130.2	75%	0.749	70%	0.698	S	S	*	*			cis	-170.9	161.3	-25.4	-110.1	-44.6	0	0	0	109.3
409	L	34	Very low	32.4	Very low	135 Å²	135	130.2 Å²	130.2	71%	0.707	70%	0.695	S	S	*	*			trans	57.1	121.7	154.2	-65.4	166.2	0	0	0	118.6
410	N	32.1	Very low	32.4	Very low	81 Å²	81	128.6 Å²	128.6	43%	0.433	70%	0.698	S	S	.	*				69.2	109	75.9	-175.7	67.9	0	0	0	116.3	T464	N410-T464 WeakPolarHBondContact OD1-CB 3.42Å; N410-T464 PolarHBondContact OD1-OG1 2.81Å
411	N	28	Very low	32.4	Very low	104 Å²	104	124.6 Å²	124.6	56%	0.556	70%	0.695	S	S	*	*			trans	61.6	129.9	147.7	-82.2	-4.5	0	0	0	123.3	T464	N411-T464 PolarHBondContact ND2-OG1 2.94Å
412	S	29.7	Very low	32.5	Very low	100 Å²	100	124.7 Å²	124.7	70%	0.699	70%	0.698	S	S	*	*				88.7	133.9	126.5	-164.4	0	0	0	0	121.5
413	S	30.5	Very low	32.3	Very low	90 Å²	90	124.4 Å²	124.4	63%	0.629	70%	0.7	S	S	*	*			trans	60.3	123.5	139.7	61.7	0	0	0	0	121.5
414	D	32.3	Very low	32.4	Very low	138 Å²	138	123.9 Å²	123.9	74%	0.738	70%	0.698	S	S	*	*				71.2	111.7	126	-67.9	10.9	0	0	0	122
415	N	28.9	Very low	32.4	Very low	131 Å²	131	124.7 Å²	124.7	70%	0.701	70%	0.702	S	S	*	*				85.3	132	122.8	-82.6	-55.1	0	0	0	121.7
416	L	29.3	Very low	32.3	Very low	145 Å²	145	123.7 Å²	123.7	76%	0.759	70%	0.697	S	S	*	*			trans	74	96.6	144.9	-65.5	168.8	0	0	0	119.8
417	L	27.8	Very low	32.3	Very low	132 Å²	132	121.8 Å²	121.8	69%	0.691	70%	0.697	S	S	*	*				69.6	118.9	108.6	-169.8	73.1	0	0	0	118.7	T419	L417-T419 HydrophobicContact CD1-CG2 3.95Å
418	N	31.5	Very low	32.2	Very low	167 Å²	167	122.3 Å²	122.3	89%	0.893	70%	0.696	S	S	*	*			trans	-146.1	144.3	136.7	-111.8	-50.1	0	0	0	111.4
419	T	28.1	Very low	32.1	Very low	89 Å²	89	121.5 Å²	121.5	55%	0.546	70%	0.696	S	S	.	*			trans	-101.3	175.4	-173.2	54.6	0	0	0	0	112.5	L417 T421	L417-T419 HydrophobicContact CD1-CG2 3.95Å; T419-T421 PolarHBondContact OG1-OG1 3.44Å
420	P	37.3	Very low	32.1	Very low	121 Å²	121	120.3 Å²	120.3	79%	0.786	70%	0.699	S	S	*	*				-130.3	135.2	97.3	34.3	-24.4	0	0	0	112.6
421	T	35.8	Very low	32.1	Very low	111 Å²	111	120.8 Å²	120.8	68%	0.681	71%	0.709	S	S	*	*				68.1	125.2	64.6	-46.8	0	0	0	0	110.6	T419	T419-T421 PolarHBondContact OG1-OG1 3.44Å
422	P	36.8	Very low	32.4	Very low	105 Å²	105	123.2 Å²	123.2	68%	0.682	72%	0.72	S	S	*	*			cis	-146.8	165.3	43.4	44.7	-26.7	0	0	0	119.7
423	V	33.6	Very low	32.5	Very low	120 Å²	120	123.1 Å²	123.1	73%	0.727	72%	0.72	S	S	*	*			trans	63	134.3	135.1	162.4	0	0	0	0	119.4
424	E	35.5	Very low	32.6	Very low	156 Å²	156	126.9 Å²	126.9	73%	0.729	73%	0.727	S	S	*	*			cis	-157.4	170.6	1.3	-125.4	158.7	-145.3	0	0	112.2
425	E	34.6	Very low	32.7	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	73%	0.728	S	S	*	*			trans	17.4	150.5	150	-79.9	-177.2	-169.2	0	0	123.4
426	S	35	Very low	32.9	Very low	86 Å²	86	126.5 Å²	126.5	60%	0.601	73%	0.733	S	S	*	*			cis	-171.4	150.7	10.8	48.1	0	0	0	0	114.5
427	T	32.1	Very low	32.9	Very low	125 Å²	125	127.1 Å²	127.1	77%	0.767	74%	0.737	S	S	*	*			trans	60.2	153.9	145.9	56.3	0	0	0	0	120.9
428	T	32.4	Very low	33.2	Very low	116 Å²	116	129.2 Å²	129.2	71%	0.712	75%	0.747	S	S	*	*			cis	-158.9	150.5	6.5	-4.5	0	0	0	0	113.1
429	T	29.6	Very low	33.1	Very low	122 Å²	122	127.9 Å²	127.9	75%	0.748	74%	0.74	S	S	*	*			trans	20.8	133	150.6	51.1	0	0	0	0	121.7
430	S	33.5	Very low	33.4	Very low	110 Å²	110	132.2 Å²	132.2	77%	0.769	75%	0.754	S	S	*	*				175.3	167.6	89	-67.9	0	0	0	0	111.1
431	S	32.9	Very low	33.3	Very low	92 Å²	92	131.4 Å²	131.4	64%	0.643	75%	0.751	S	S	*	*			cis	177.1	163	-26.5	62.8	0	0	0	0	111
432	I	33.4	Very low	33.1	Very low	155 Å²	155	135 Å²	135	80%	0.795	76%	0.76	S	S	*	*			trans	74.4	134.2	157.4	-68.6	166.2	0	0	0	116.7
433	S	32.3	Very low	32.9	Very low	98 Å²	98	141 Å²	141	69%	0.685	77%	0.769	S	S	*	*			cis	-162.7	171.8	-9.5	-104.9	0	0	0	0	113.6
434	E	31.1	Very low	32.6	Very low	169 Å²	169	141.1 Å²	141.1	79%	0.79	77%	0.77	S	S	*	*			trans	-62.8	167.7	171.5	-56.5	121.2	128.2	0	0	113.4
435	S	35	Very low	32.7	Very low	109 Å²	109	139.8 Å²	139.8	76%	0.762	77%	0.768	S	S	*	*				-165.7	-175.9	54.8	-45.7	0	0	0	0	110.1
436	D	34.1	Very low	32.5	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	77%	0.766	S	S	*	*			cis	-156.6	-170.4	10.5	-149.1	-25.5	0	0	0	110.6
437	L	27.7	Very low	32.6	Very low	159 Å²	159	143.6 Å²	143.6	83%	0.832	78%	0.776	S	S	*	*			trans	-134.3	138.9	176.3	-72.7	168.6	0	0	0	113.1
438	I	35.2	Very low	32.9	Very low	175 Å²	175	142.8 Å²	142.8	90%	0.897	77%	0.774	S	S	*	*			trans	-137.3	144.7	161.5	-63.5	-174.1	0	0	0	110.3
439	D	29.8	Very low	33	Very low	139 Å²	139	146 Å²	146	74%	0.743	78%	0.78	S	S	*	*			trans	-116.4	139.1	-177.3	155.4	38.7	0	0	0	109.6
440	E	34.4	Very low	33.2	Very low	180 Å²	180	144.5 Å²	144.5	84%	0.841	78%	0.775	S	S	*	*			trans	-157.7	118.7	143.9	-126.3	-174.1	175.7	0	0	116.4
441	S	34.7	Very low	33.2	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	77%	0.771	S	S	*	*			trans	83.7	165.8	138.4	83.3	0	0	0	0	120.9
442	Q	30.6	Very low	33.2	Very low	186 Å²	186	148.3 Å²	148.3	87%	0.869	78%	0.779	S	S	*	*			trans	-133.1	157.6	-166.2	-58	171.8	-17	0	0	110.6
443	R	34.1	Very low	33.2	Very low	232 Å²	232	146.7 Å²	146.7	88%	0.875	77%	0.772	S	S	*	*				-166	144.9	128.8	-106.7	173.6	82.1	168.1	5.2	113.2
444	T	27.7	Very low	33.2	Very low	121 Å²	121	148.6 Å²	148.6	74%	0.742	77%	0.774	S	S	*	*			trans	-103.4	157.2	175.5	50	0	0	0	0	111.6
445	D	35.9	Very low	33.4	Very low	129 Å²	129	144.4 Å²	144.4	69%	0.69	76%	0.764	S	S	*	*			trans	-174.8	116.7	140.8	-76.3	-36.5	0	0	0	104.7
446	Q	32.1	Very low	33.3	Very low	169 Å²	169	143.5 Å²	143.5	79%	0.79	76%	0.757	S	S	*	*				54.5	132.4	81.6	-69.5	-164.8	-33.2	0	0	114.7
447	E	35.8	Very low	33.3	Very low	173 Å²	173	142.7 Å²	142.7	81%	0.808	75%	0.753	S	S	*	*			cis	-151.9	175	4.7	-115.2	-172.4	127.9	0	0	110.9
448	P	39	Very low	33.3	Very low	109 Å²	109	143 Å²	143	71%	0.708	76%	0.755	S	S	*	*			trans	-113.6	163.4	-169.4	41.7	-34.4	0	0	0	117.2
449	E	34	Very low	33.2	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	75%	0.752	S	S	*	*			trans	-140.4	131.3	149.8	-67.8	-164.6	149.5	0	0	106.8
450	S	33	Very low	33	Very low	92 Å²	92	143 Å²	143	64%	0.643	76%	0.755	S	S	*	*				65.2	141	92.7	107	0	0	0	0	113.8
451	D	33.4	Very low	33	Very low	127 Å²	127	139.3 Å²	139.3	68%	0.679	75%	0.75	S	S	*	*			cis	-157.9	153.9	20.3	-105.4	-52.6	0	0	0	112.8
452	L	34.6	Very low	32.9	Very low	154 Å²	154	140.2 Å²	140.2	81%	0.806	75%	0.751	S	S	*	*			trans	60.3	156.1	152.1	-61.3	167.9	0	0	0	119.1
453	N	33.5	Very low	33.2	Very low	122 Å²	122	135.3 Å²	135.3	65%	0.652	74%	0.735	S	S	*	*			cis	-164.1	120	-23	173.2	86.2	0	0	0	105.8
454	N	31.7	Very low	33.4	Very low	137 Å²	137	128.4 Å²	128.4	73%	0.733	72%	0.719	S	S	*	*				55	137.6	104	-127.5	18.2	0	0	0	114.7
455	S	34.4	Very low	33.9	Very low	82 Å²	82	126.9 Å²	126.9	57%	0.573	71%	0.711	S	S	*	*			cis	-169.7	162.7	30.3	-178.6	0	0	0	0	112.5
456	S	34.7	Very low	33.9	Very low	89 Å²	89	126.3 Å²	126.3	62%	0.622	71%	0.712	S	S	*	*			trans	62	142.5	144.5	48	0	0	0	0	121.1
457	D	33	Very low	34.1	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	71%	0.713	S	S	*	*			cis	-159.7	145.2	-10.8	-103.7	-31	0	0	0	110.7
458	N	27.8	Very low	34.1	Very low	165 Å²	165	126.4 Å²	126.4	88%	0.882	71%	0.712	S	S	*	*			trans	-157.5	89.4	159.7	-140.3	-14.4	0	0	0	110.1
459	L	32.4	Very low	33.9	Very low	158 Å²	158	126 Å²	126	83%	0.827	71%	0.713	S	S	*	*			trans	-99.1	103.7	-173.1	-76.3	178.5	0	0	0	113.2
460	L	27.3	Very low	34	Very low	156 Å²	156	123 Å²	123	82%	0.817	71%	0.707	S	S	*	*			trans	-72.9	132.7	158.6	178	72.4	0	0	0	110.4
461	S	33.9	Very low	34	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	71%	0.712	S	S	*	*			trans	178.9	113.7	138.2	-81.2	0	0	0	0	114.1
462	T	31.2	Very low	33.9	Very low	124 Å²	124	124.4 Å²	124.4	76%	0.761	72%	0.716	S	S	*	*				26	150.7	120.5	36.7	0	0	0	0	122.4
463	P	37.8	Very low	33.8	Very low	84 Å²	84	121.8 Å²	121.8	55%	0.545	71%	0.711	S	S	.	*				-136	-175.5	-122.1	41.8	-24.4	0	0	0	117.3
464	T	38.6	Very low	33.8	Very low	87 Å²	87	120.9 Å²	120.9	53%	0.534	71%	0.714	S	S	.	*			trans	64.8	162.7	158.8	33.7	0	0	0	0	119.1	N410 N411	N410-T464 WeakPolarHBondContact OD1-CB 3.42Å; N410-T464 PolarHBondContact OD1-OG1 2.81Å; N411-T464 PolarHBondContact ND2-OG1 2.94Å
465	P	38.3	Very low	33.8	Very low	88 Å²	88	121.8 Å²	121.8	57%	0.571	72%	0.717	S	S	*	*			cis	-129.8	158.6	-11.1	24.4	-1.8	0	0	0	116.6
466	V	35.2	Very low	33.7	Very low	117 Å²	117	123.8 Å²	123.8	71%	0.709	73%	0.731	S	S	*	*			trans	40.3	122	135.3	-174	0	0	0	0	120.8
467	E	36.8	Very low	33.6	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	74%	0.744	S	S	*	*				-167.7	161.9	118.1	-100.3	-63.9	109.9	0	0	109.6
468	E	35.1	Very low	33.8	Very low	171 Å²	171	127 Å²	127	80%	0.799	74%	0.743	S	S	*	*			trans	-88.6	165.5	-161.6	-63	-164.9	117	0	0	117.3
469	S	35.9	Very low	34.2	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	73%	0.734	S	S	*	*				117	111	129.8	76.2	0	0	0	0	120.3
470	T	34.7	Very low	34.3	Very low	119 Å²	119	125 Å²	125	73%	0.73	73%	0.732	S	S	*	*			trans	66.4	100.2	132.8	53.4	0	0	0	0	123
471	T	33.5	Very low	34.6	Very low	123 Å²	123	123.5 Å²	123.5	76%	0.755	73%	0.73	S	S	*	*				76.1	102.4	125	54.6	0	0	0	0	122.5
472	T	31.5	Very low	34.6	Very low	124 Å²	124	125.5 Å²	125.5	76%	0.761	73%	0.732	S	S	*	*				64.9	115.3	121.7	-19.1	0	0	0	0	121.2
473	S	32.5	Very low	34.8	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	74%	0.736	S	S	*	*				154	146.8	110.9	-66.9	0	0	0	0	116.2
474	S	34.3	Very low	34.8	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	75%	0.748	S	S	*	*			trans	61.8	89.3	149.5	54.3	0	0	0	0	121.4
475	I	31	Very low	34.6	Very low	156 Å²	156	134.6 Å²	134.6	80%	0.8	76%	0.762	S	S	*	*				41.6	124.8	105.6	-55.6	161.2	0	0	0	118.8
476	S	32.9	Very low	34.6	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	78%	0.781	S	S	*	*			trans	-169.3	148.9	130.7	-78	0	0	0	0	111.9
477	E	31.2	Very low	34.4	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	78%	0.777	S	S	*	*			trans	-102.7	161.1	-174.9	-49.7	159.3	123.8	0	0	112.6
478	S	38	Very low	34.6	Very low	98 Å²	98	140.6 Å²	140.6	69%	0.685	78%	0.776	S	S	*	*			trans	-164.8	155.4	141.1	70.8	0	0	0	0	114.2
479	D	36.2	Very low	34.6	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	77%	0.774	S	S	*	*			trans	71	115.3	160.7	-45	-50.8	0	0	0	118
480	L	33.7	Very low	34.4	Very low	150 Å²	150	143.1 Å²	143.1	79%	0.785	78%	0.777	S	S	*	*			cis	71.6	142.8	38	-51.5	177.7	0	0	0	113.3
481	T	35.6	Very low	34.8	Very low	124 Å²	124	142.1 Å²	142.1	76%	0.761	77%	0.772	S	S	*	*			cis	-175.3	162.5	2	21.2	0	0	0	0	107.1
482	D	33.3	Very low	34.9	Very low	146 Å²	146	145 Å²	145	78%	0.781	78%	0.777	S	S	*	*			cis	-170.2	-174.7	-6.9	-175.3	18	0	0	0	108.2
483	E	35.8	Very low	35.2	Very low	178 Å²	178	144 Å²	144	83%	0.832	78%	0.775	S	S	*	*			trans	79	153.3	169.6	-51.5	-161.2	114.4	0	0	117.8
484	S	35.8	Very low	35.4	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	78%	0.776	S	S	*	*			cis	-146.3	164.3	14.2	64.5	0	0	0	0	114.1
485	K	35.7	Very low	35.5	Very low	193 Å²	193	147.4 Å²	147.4	84%	0.839	78%	0.777	S	S	*	*			trans	-94.1	162.1	-173.4	-60	180	178.7	-176.4	0	115
486	R	37.4	Very low	35.7	Very low	253 Å²	253	146.6 Å²	146.6	96%	0.955	77%	0.774	S	S	*	*			trans	-140.9	167.2	139.8	-135	167.9	178.7	156.8	-1.6	111.2
487	T	32.4	Very low	35.6	Very low	105 Å²	105	147 Å²	147	64%	0.644	77%	0.767	S	S	*	*			trans	-150.7	152.6	-157.1	-36.1	0	0	0	0	110.7
488	D	40	Very low	35.8	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	76%	0.757	S	S	*	*			trans	-173.9	103.4	142.9	-82.6	-30.8	0	0	0	107.8
489	Q	34.3	Very low	35.6	Very low	162 Å²	162	142 Å²	142	76%	0.757	75%	0.753	S	S	*	*				65.7	108.8	108	-66.2	-174.8	-9.4	0	0	115.9
490	E	32.8	Very low	35.4	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	76%	0.757	S	S	*	*				80.9	157.2	60.8	-88.7	-163.8	114	0	0	115.8
491	P	42.2	Very low	35.4	Very low	97 Å²	97	143.3 Å²	143.3	63%	0.63	76%	0.761	S	S	*	*			cis	-136.1	164.3	-5.2	31.6	-10.8	0	0	0	117.5
492	E	36.4	Very low	35	Very low	183 Å²	183	145.5 Å²	145.5	86%	0.855	77%	0.767	S	S	*	*			trans	49	152.1	141.6	-63.9	-177.5	161.5	0	0	122.2
493	S	37.2	Very low	34.9	Very low	104 Å²	104	146.9 Å²	146.9	73%	0.727	77%	0.774	S	S	*	*			cis	-135.1	-173.1	17.4	61.6	0	0	0	0	111.3
494	D	37.2	Very low	34.8	Very low	132 Å²	132	143.5 Å²	143.5	71%	0.706	77%	0.769	S	S	*	*			cis	-149.6	-122.4	13.1	-166.1	70.3	0	0	0	112.6
495	L	36.9	Very low	34.5	Very low	141 Å²	141	144.1 Å²	144.1	74%	0.738	77%	0.769	S	S	*	*			trans	-121	166.3	-169	-58.6	164.5	0	0	0	110.8
496	N	33.9	Very low	34.4	Very low	139 Å²	139	140.9 Å²	140.9	74%	0.743	77%	0.767	S	S	*	*			cis	-156	166	24.1	-170	22.6	0	0	0	113.9
497	N	31.7	Very low	34.2	Very low	133 Å²	133	134.5 Å²	134.5	71%	0.711	76%	0.757	S	S	*	*			trans	-60.3	172.3	177.6	-61.1	-70.1	0	0	0	114.9
498	S	35.1	Very low	34.4	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	76%	0.764	S	S	*	*			cis	-166.2	142.3	32.2	-162.8	0	0	0	0	118
499	S	34.6	Very low	33.9	Very low	87 Å²	87	134.2 Å²	134.2	61%	0.608	76%	0.762	S	S	*	*			trans	54.6	104.1	139.1	63.1	0	0	0	0	122.4
500	D	31.7	Very low	33.9	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	77%	0.769	S	S	*	*				35.2	132.6	111.2	-47.1	-40.5	0	0	0	121.3
501	N	32.6	Very low	33.9	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	76%	0.763	S	S	*	*				-163.9	133.1	112.9	-107.7	-78.1	0	0	0	112.1
502	L	28.3	Very low	33.5	Very low	169 Å²	169	134.5 Å²	134.5	89%	0.885	77%	0.766	S	S	*	*			trans	-101.5	139.2	168	-71.5	171.6	0	0	0	109.7
503	L	31.8	Very low	33.2	Very low	176 Å²	176	129.8 Å²	129.8	92%	0.921	75%	0.749	S	S	*	*			trans	-149.9	144.9	155.6	-162.8	60.1	0	0	0	111.6
504	S	33.2	Very low	32.9	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	73%	0.733	S	S	*	*			trans	-87.4	164.1	-167.6	-51.5	0	0	0	0	115.1
505	T	28.8	Very low	32.4	Very low	128 Å²	128	128 Å²	128	79%	0.785	74%	0.74	S	S	*	*			trans	-41	157.8	166.3	53.6	0	0	0	0	115.2
506	P	34.6	Very low	32.1	Very low	124 Å²	124	125.4 Å²	125.4	81%	0.805	73%	0.733	S	S	*	*				-140.2	150.6	86.6	37.9	-24	0	0	0	115.9
507	T	33.1	Very low	31.9	Very low	120 Å²	120	124 Å²	124	74%	0.736	73%	0.734	S	S	*	*			trans	-70.4	163.2	165.6	-18.3	0	0	0	0	111.6
508	P	35.6	Very low	31.8	Very low	123 Å²	123	126 Å²	126	80%	0.799	74%	0.743	S	S	*	*				-135.4	166.4	115.9	38.6	-30.2	0	0	0	114.3
509	V	30.2	Very low	31.5	Very low	122 Å²	122	126.4 Å²	126.4	74%	0.739	75%	0.745	S	S	*	*			trans	-93.5	144.1	180	172.9	0	0	0	0	110.8
510	E	34.6	Very low	31.4	Very low	193 Å²	193	130.7 Å²	130.7	90%	0.902	76%	0.756	S	S	*	*			trans	-144	153.1	136.1	-74.4	-155.1	154.1	0	0	108.9
511	E	32.2	Very low	31.4	Very low	139 Å²	139	128.3 Å²	128.3	65%	0.65	75%	0.751	S	S	*	*			trans	-93.5	158.9	-177.7	-65.7	-177.6	122	0	0	112.4
512	S	33.6	Very low	31.2	Very low	98 Å²	98	127.8 Å²	127.8	69%	0.685	75%	0.748	S	S	*	*			trans	-156.9	151.9	163.4	-63.9	0	0	0	0	108.8
513	T	29.7	Very low	31.4	Very low	83 Å²	83	128.3 Å²	128.3	51%	0.509	75%	0.751	S	S	.	*			trans	-145.8	87.4	-161.1	35.3	0	0	0	0	113.4	D393 L394	D393-T513 WeakPolarHBondContact CA-O 3.2Å; D393-T513 PolarHBondContact N-O 3.02Å; D393-T513 WeakPolarHBondContact OD2-CA 3.45Å; D393-T513 PolarHBondContact OD2-N 3.38Å; L394-T513 PolarHBondContact N-OG1 2.88Å
514	T	31	Very low	31.5	Very low	63 Å²	63	127.6 Å²	127.6	39%	0.387	75%	0.746	S	S	.	*			trans	-141.9	130.9	155.8	-50.6	0	0	0	0	113.8	E391 S392 D393	E391-T514 HydrophobicContact CB-CG2 4.32Å; E391-T514 HydrophobicContact CG-CG2 4.22Å; S392-T514 VanDerWaalsContact CA-OG1 3.23Å; S392-T514 WeakPolarHBondContact CA-OG1 2.98Å; S392-T514 WeakPolarHBondContact CB-OG1 3.49Å; S392-T514 WeakPolarHBondContact OG-CG2 3.48Å; S392-T514 PolarHBondContact OG-OG1 2.68Å; D393-T514 PolarHBondContact OD1-OG1 2.96Å
515	T	27	Very low	31.6	Very low	137 Å²	137	130.3 Å²	130.3	84%	0.84	75%	0.752	S	S	*	*			trans	-82.6	122.9	158.9	-13.9	0	0	0	0	110.2
516	S	31.3	Very low	31.9	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	75%	0.753	S	S	*	*			trans	-154.9	137.6	157.9	-133.4	0	0	0	0	110.8	E391	E391-S516 WeakPolarHBondContact OE1-CB 3.16Å; E391-S516 PolarHBondContact OE1-OG 3.26Å
517	S	28.4	Very low	31.9	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	75%	0.747	S	S	*	*			trans	-97.4	138.1	-171.3	55.1	0	0	0	0	112.6
518	I	31.2	Very low	32	Very low	175 Å²	175	134.2 Å²	134.2	90%	0.897	75%	0.753	S	S	*	*			trans	-152.7	149.4	160.5	-98.7	143.9	0	0	0	108.6
519	S	28.9	Very low	32.1	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	75%	0.753	S	S	*	*			trans	-104.4	-179.2	179.1	-56.5	0	0	0	0	111.9
520	E	31.6	Very low	32.2	Very low	177 Å²	177	137.8 Å²	137.8	83%	0.827	75%	0.75	S	S	*	*			trans	83.7	109.2	159	-67.7	-179.3	179.4	0	0	119.5
521	S	31.1	Very low	32.2	Very low	96 Å²	96	134.4 Å²	134.4	67%	0.671	74%	0.738	S	S	*	*				84	113.7	121.7	-52.5	0	0	0	0	121.3
522	D	30	Very low	32.3	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	75%	0.746	S	S	*	*			trans	50.1	112.8	133.7	-56.2	-13.4	0	0	0	120.6
523	L	31.5	Very low	32.3	Very low	180 Å²	180	139.7 Å²	139.7	94%	0.942	75%	0.752	S	S	*	*			trans	-128.4	104.5	155.2	-71.9	176.8	0	0	0	110.3
524	I	34.7	Very low	32.6	Very low	162 Å²	162	141.1 Å²	141.1	83%	0.831	76%	0.763	S	S	*	*			trans	-81.5	138.5	157.4	-68.1	161.6	0	0	0	107.6
525	D	34.3	Very low	32.8	Very low	162 Å²	162	147.7 Å²	147.7	87%	0.866	79%	0.789	S	S	*	*			trans	-107.9	135.7	164.8	-167.5	11.7	0	0	0	109.6
526	E	34.3	Very low	33.1	Very low	173 Å²	173	145.7 Å²	145.7	81%	0.808	78%	0.781	S	S	*	*			trans	-133.5	127.1	-171.4	-171.5	-150.9	-124.9	0	0	111.2
527	S	35	Very low	33.2	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	78%	0.784	S	S	*	*			trans	-166.6	139.9	148.5	54.1	0	0	0	0	109.8
528	Q	36.2	Very low	33.4	Very low	184 Å²	184	148.9 Å²	148.9	86%	0.86	78%	0.782	S	S	*	*				-152.8	174.5	55.9	-77.7	-178.7	35.3	0	0	114.1
529	R	36.3	Very low	33.3	Very low	212 Å²	212	146.9 Å²	146.9	80%	0.8	77%	0.773	S	S	*	*			trans	-91.9	172.3	-166.3	-63.2	155.8	60	169.3	2.4	111.2
530	T	33.9	Very low	33.3	Very low	108 Å²	108	148 Å²	148	66%	0.663	77%	0.77	S	S	*	*				-174.6	128.6	52.6	-46.4	0	0	0	0	113.6
531	D	34.9	Very low	33.3	Very low	123 Å²	123	144 Å²	144	66%	0.658	76%	0.762	S	S	*	*			trans	46	151.2	145.2	-43.7	-9.8	0	0	0	125.4
532	Q	32.8	Very low	33.4	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.813	76%	0.76	S	S	*	*			trans	80.8	139.2	161	-57.4	-175	3.7	0	0	119.3
533	E	35	Very low	33.7	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.813	75%	0.753	S	S	*	*			cis	-158.3	155.9	-23.2	-125.2	-170.7	135.4	0	0	108.3
534	P	36	Very low	33.8	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	74%	0.744	S	S	*	*			trans	-105.4	144.7	-175.6	37.5	-29.6	0	0	0	114.6
535	E	35.4	Very low	33.6	Very low	200 Å²	200	139.7 Å²	139.7	94%	0.935	74%	0.74	S	S	*	*			trans	-133.7	169.4	160.8	-82.8	-151.1	155	0	0	112.2
536	S	31.5	Very low	33.5	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	74%	0.737	S	S	*	*			trans	-109.6	-176.1	-157.5	46.1	0	0	0	0	115.1
537	D	34.1	Very low	33.4	Very low	124 Å²	124	137.9 Å²	137.9	66%	0.663	74%	0.736	S	S	*	*			trans	108.7	105.1	142.8	-68.7	-59	0	0	0	121.2
538	L	31.8	Very low	33.2	Very low	138 Å²	138	138.8 Å²	138.8	72%	0.723	74%	0.737	S	S	*	*				82.9	135	126	-64.6	169.9	0	0	0	121.7
539	N	29.8	Very low	33.2	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	73%	0.734	S	S	*	*			trans	76.9	143.3	139.4	-86.6	-14.2	0	0	0	119.4
540	N	29.4	Very low	33	Very low	130 Å²	130	131.6 Å²	131.6	70%	0.695	73%	0.732	S	S	*	*			cis	-167.4	163.5	-13.3	-159.2	3.6	0	0	0	111
541	S	32.4	Very low	33.4	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	74%	0.735	S	S	*	*			trans	68.5	157.6	149.4	-124.8	0	0	0	0	116.1
542	S	33.2	Very low	33.2	Very low	92 Å²	92	131 Å²	131	64%	0.643	73%	0.734	S	S	*	*			cis	-175.8	162.2	-7.4	21.7	0	0	0	0	106.4
543	D	35.9	Very low	33.1	Very low	124 Å²	124	130.7 Å²	130.7	66%	0.663	73%	0.733	S	S	*	*			cis	-167.2	175.2	0.3	-112.3	-34.3	0	0	0	110.3
544	N	34	Very low	33	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	73%	0.73	S	S	*	*			trans	82	110	165.2	-50.6	-68.7	0	0	0	116.5
545	L	30.4	Very low	32.6	Very low	143 Å²	143	128.8 Å²	128.8	75%	0.749	72%	0.723	S	S	*	*			cis	95	158.1	24.8	-56.7	169	0	0	0	116.2
546	L	32	Very low	32.4	Very low	151 Å²	151	124.7 Å²	124.7	79%	0.791	71%	0.712	S	S	*	*			trans	77.6	127.1	178.9	-91.4	56.2	0	0	0	117
547	N	32.5	Very low	32.2	Very low	146 Å²	146	125.8 Å²	125.8	78%	0.781	72%	0.715	S	S	*	*			cis	-163.2	145.2	-15.2	-129.4	19	0	0	0	112.8
548	T	30	Very low	31.8	Very low	116 Å²	116	125.2 Å²	125.2	71%	0.712	72%	0.716	S	S	*	*			trans	-80.8	166.3	167	-8.3	0	0	0	0	111.2
549	P	35.2	Very low	31.5	Very low	123 Å²	123	123.6 Å²	123.6	80%	0.799	72%	0.716	S	S	*	*				-154.1	163.4	72.6	42.2	-21.8	0	0	0	119.4
550	T	33.7	Very low	31.4	Very low	122 Å²	122	122 Å²	122	75%	0.748	72%	0.716	S	S	*	*			trans	-75.1	-165.5	158.4	7.3	0	0	0	0	111.7
551	P	40.8	Very low	31.2	Very low	113 Å²	113	123.3 Å²	123.3	73%	0.734	72%	0.721	S	S	*	*			cis	-132.1	-137	-15.3	32.5	-8.1	0	0	0	112.3
552	V	30.6	Very low	30.9	Very low	106 Å²	106	123.4 Å²	123.4	64%	0.642	72%	0.722	S	S	*	*			trans	93.9	89.6	163.3	177.9	0	0	0	0	115.5
553	E	32	Very low	30.7	Very low	166 Å²	166	127.5 Å²	127.5	78%	0.776	73%	0.731	S	S	*	*				96	155.1	99.3	-80.1	167	-161.9	0	0	112
554	E	32.2	Very low	30.7	Very low	164 Å²	164	126.2 Å²	126.2	77%	0.766	73%	0.731	S	S	*	*			cis	-145.3	170.7	13.9	-144.3	179.6	178.1	0	0	111.9
555	S	28.6	Very low	30.7	Very low	83 Å²	83	126.1 Å²	126.1	58%	0.58	73%	0.731	S	S	*	*			trans	-6.6	153.4	156.2	62.1	0	0	0	0	120.9
556	T	31.2	Very low	30.9	Very low	115 Å²	115	126.6 Å²	126.6	71%	0.706	73%	0.733	S	S	*	*			cis	-171.6	157.8	30.4	-9.7	0	0	0	0	112.9
557	T	27.1	Very low	31.1	Very low	118 Å²	118	124.5 Å²	124.5	72%	0.724	73%	0.727	S	S	*	*			trans	11	157.3	141	60.9	0	0	0	0	122.5
558	T	25.8	Very low	31.3	Very low	113 Å²	113	125.4 Å²	125.4	69%	0.693	73%	0.732	S	S	*	*			cis	-179.8	139.2	-11.1	-87.4	0	0	0	0	109.1
559	S	25.6	Very low	31.6	Very low	104 Å²	104	128.1 Å²	128.1	73%	0.727	74%	0.736	S	S	*	*			trans	63.5	154.8	160	-65.7	0	0	0	0	122
560	S	26	Very low	31.7	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	73%	0.728	S	S	*	*			trans	69.1	116.1	144	53.5	0	0	0	0	122
561	I	25.5	Very low	31.9	Very low	156 Å²	156	128.1 Å²	128.1	80%	0.8	73%	0.727	S	S	*	*				77.4	117.7	127	-62.8	171.1	0	0	0	119.1
562	S	26.1	Very low	31.7	Very low	95 Å²	95	132.2 Å²	132.2	66%	0.664	73%	0.728	S	S	*	*			trans	61.7	128	147.6	-63.9	0	0	0	0	123.5
563	E	30.2	Very low	31.9	Very low	177 Å²	177	132.3 Å²	132.3	83%	0.827	73%	0.729	S	S	*	*			trans	75.3	127.9	130.6	-69.7	-178.9	147.2	0	0	122.3
564	S	34.2	Very low	32.2	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	72%	0.723	S	S	*	*			trans	24	137.4	143.1	63.1	0	0	0	0	121
565	D	34.6	Very low	32.3	Very low	141 Å²	141	129.7 Å²	129.7	75%	0.754	72%	0.721	S	S	*	*				-164.3	175.6	97.2	-125.4	-31.8	0	0	0	115.2
566	L	35.5	Very low	32.7	Very low	153 Å²	153	133.4 Å²	133.4	80%	0.801	73%	0.729	S	S	*	*			trans	117.6	112.7	161.7	-62.6	-171.3	0	0	0	115.4
567	T	35.8	Very low	33.2	Very low	107 Å²	107	132.6 Å²	132.6	66%	0.656	73%	0.726	S	S	*	*			cis	-171.4	133.7	-21.1	5.6	0	0	0	0	108
568	D	37.1	Very low	33.5	Very low	164 Å²	164	134.8 Å²	134.8	88%	0.877	73%	0.727	S	S	*	*				-166.3	162	124.5	-125.8	-26.2	0	0	0	113.4
569	E	36	Very low	34	Very low	173 Å²	173	133.2 Å²	133.2	81%	0.808	72%	0.721	S	S	*	*			trans	-75.4	158.4	-170.5	-78.9	-166.4	142.9	0	0	115.7
570	S	36.8	Very low	34.5	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	72%	0.719	S	S	*	*			cis	-168.6	152.1	-4.7	45.5	0	0	0	0	115.2
571	Q	38.2	Very low	34.9	Very low	156 Å²	156	136.9 Å²	136.9	73%	0.729	72%	0.724	S	S	*	*			trans	71.2	125.9	139.4	-80.6	-175.4	45.7	0	0	125
572	R	37.5	Very low	35.2	Very low	200 Å²	200	135.9 Å²	135.9	76%	0.755	72%	0.72	S	S	*	*			trans	92.9	103	135.1	-72.6	177.2	89.8	154.9	9.4	120
573	T	33.6	Very low	35.4	Very low	108 Å²	108	135.6 Å²	135.6	66%	0.663	72%	0.718	S	S	*	*				82.3	135.9	78.4	60.4	0	0	0	0	113.3
574	D	39.1	Very low	35.4	Very low	122 Å²	122	132 Å²	132	65%	0.652	71%	0.713	S	S	*	*			cis	-153.8	156	23.5	-84.7	-52.4	0	0	0	113.8
575	Q	34	Very low	35.3	Very low	153 Å²	153	131.4 Å²	131.4	72%	0.715	71%	0.709	S	S	*	*			trans	48.3	154.1	136.5	-60.5	178.6	-57.5	0	0	123
576	E	36.2	Very low	35.1	Very low	160 Å²	160	131.8 Å²	131.8	75%	0.748	71%	0.711	S	S	*	*			cis	-161	170.4	-16	-112.7	-179.8	110.7	0	0	110.1
577	P	42.3	Very low	34.9	Very low	99 Å²	99	132.4 Å²	132.4	64%	0.643	72%	0.715	S	S	*	*			trans	-110.4	-134.2	-172	43.1	-33.3	0	0	0	114.8
578	E	34	Very low	34.5	Very low	163 Å²	163	135 Å²	135	76%	0.762	72%	0.724	S	S	*	*			trans	73.1	143.6	178.8	-54.1	-51.6	107.8	0	0	117.3
579	S	34.8	Very low	34	Very low	81 Å²	81	134.3 Å²	134.3	57%	0.566	72%	0.719	S	S	*	*			cis	-167.2	179.2	-11.7	55.3	0	0	0	0	112.2
580	D	36.8	Very low	33.9	Very low	127 Å²	127	133.8 Å²	133.8	68%	0.679	72%	0.722	S	S	*	*			trans	80.9	96.5	145.3	-61.7	-38.6	0	0	0	124.7
581	L	33.8	Very low	33.7	Very low	153 Å²	153	135.5 Å²	135.5	80%	0.801	73%	0.729	S	S	*	*				69.9	109.7	108.1	-72.7	175.8	0	0	0	123.3
582	N	32.2	Very low	33.5	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	73%	0.725	S	S	*	*				112.8	130.7	111.8	-153.4	31	0	0	0	121.2
583	S	31.5	Very low	33.2	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	73%	0.729	S	S	*	*			trans	24.1	140.6	150.6	72.5	0	0	0	0	120.9
584	S	30.3	Very low	33.4	Very low	102 Å²	102	130 Å²	130	71%	0.713	73%	0.732	S	S	*	*			cis	174.8	154.5	49.5	-164.4	0	0	0	0	112.1
585	S	30.9	Very low	32.9	Very low	84 Å²	84	129.4 Å²	129.4	59%	0.587	73%	0.733	S	S	*	*			trans	36.7	121.9	143.4	61.5	0	0	0	0	122.2
586	D	29.9	Very low	32.8	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	74%	0.737	S	S	*	*			trans	58.5	122.7	133.1	-48.5	-33.1	0	0	0	121.9
587	N	32.4	Very low	32.7	Very low	167 Å²	167	130.2 Å²	130.2	89%	0.893	74%	0.737	S	S	*	*				-161.8	156.6	115.3	-113.4	-84.4	0	0	0	113
588	L	28.2	Very low	32.3	Very low	161 Å²	161	130.2 Å²	130.2	84%	0.843	74%	0.739	S	S	*	*			trans	-83.9	155.9	-178.9	-80.4	164.7	0	0	0	113.5
589	L	26.7	Very low	32.4	Very low	149 Å²	149	127.7 Å²	127.7	78%	0.78	74%	0.735	S	S	*	*			trans	55.7	99.8	147.9	-170.1	68.2	0	0	0	118.4
590	N	32.9	Very low	32.4	Very low	162 Å²	162	129.7 Å²	129.7	87%	0.866	74%	0.744	S	S	*	*			trans	-154	98.4	151.2	-110.1	-40.9	0	0	0	112.4
591	T	31.7	Very low	32.4	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	75%	0.746	S	S	*	*			trans	-79.7	135.7	161	46.7	0	0	0	0	110.4
592	P	34.9	Very low	32.5	Very low	101 Å²	101	127.2 Å²	127.2	66%	0.656	74%	0.744	S	S	*	*			trans	-149.1	112.4	140.4	32.7	-12.7	0	0	0	116.2
593	T	31.6	Very low	32.8	Very low	137 Å²	137	125.1 Å²	125.1	84%	0.84	74%	0.74	S	S	*	*			trans	67.6	165.5	139.8	31.8	0	0	0	0	119.6
594	P	36.5	Very low	33.1	Very low	111 Å²	111	128.4 Å²	128.4	72%	0.721	75%	0.749	S	S	*	*			trans	-135.3	-149.7	-140.7	32.8	-6.3	0	0	0	114.4
595	V	29.2	Very low	33.3	Very low	110 Å²	110	127.2 Å²	127.2	67%	0.667	74%	0.741	S	S	*	*			trans	93.2	126.6	151.8	163.3	0	0	0	0	119.3
596	E	32.4	Very low	33.6	Very low	171 Å²	171	131.4 Å²	131.4	80%	0.799	75%	0.751	S	S	*	*			trans	67.5	154.8	155.8	-76	161.6	-153.1	0	0	119.7
597	E	32.7	Very low	33.8	Very low	159 Å²	159	128.5 Å²	128.5	74%	0.743	74%	0.742	S	S	*	*			cis	-155.2	157.3	-3	-143.3	-173.1	178.1	0	0	113.4
598	S	34.6	Very low	33.9	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	73%	0.732	S	S	*	*			trans	70.8	160.9	147.7	82.7	0	0	0	0	119.1
599	T	35.5	Very low	34	Very low	111 Å²	111	125.8 Å²	125.8	68%	0.681	73%	0.728	S	S	*	*			cis	-145.3	148	13.1	32.6	0	0	0	0	114.3
600	T	35.4	Very low	34.3	Very low	122 Å²	122	125 Å²	125	75%	0.748	73%	0.729	S	S	*	*			trans	64.5	143.5	146.7	55.7	0	0	0	0	120.9
601	T	36.3	Very low	34.1	Very low	119 Å²	119	124.1 Å²	124.1	73%	0.73	73%	0.725	S	S	*	*			cis	-156.1	147.4	3.5	-4.5	0	0	0	0	113.1
602	S	36.9	Very low	34.2	Very low	109 Å²	109	125.6 Å²	125.6	76%	0.762	72%	0.723	S	S	*	*			trans	65.2	138.5	148.3	-57.3	0	0	0	0	121.2
603	S	38.1	Very low	33.9	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	72%	0.718	S	S	*	*			cis	-174.2	136.5	-11.8	49.3	0	0	0	0	113
604	I	37.3	Very low	34	Very low	159 Å²	159	124.9 Å²	124.9	82%	0.815	71%	0.71	S	S	*	*			trans	68	131.1	140.5	-66	169.5	0	0	0	117.7
605	S	35.8	Very low	33.8	Very low	76 Å²	76	128.7 Å²	128.7	53%	0.531	71%	0.71	S	S	.	*			cis	-168.4	146.3	-8.5	-101.2	0	0	0	0	111.7
606	E	35.4	Very low	33.9	Very low	172 Å²	172	129 Å²	129	80%	0.804	71%	0.712	S	S	*	*				42.4	147.6	122.8	-57.7	161.4	131.9	0	0	121.3
607	S	34.6	Very low	34.1	Very low	87 Å²	87	126.6 Å²	126.6	61%	0.608	71%	0.705	S	S	*	*			cis	-172	-177.5	-9.4	48.1	0	0	0	0	110.3
608	D	35.8	Very low	34.2	Very low	127 Å²	127	126.7 Å²	126.7	68%	0.679	71%	0.706	S	S	*	*			trans	72.7	113.1	158.5	-50.6	-47.4	0	0	0	117.3
609	L	29.8	Very low	34.3	Very low	145 Å²	145	130.8 Å²	130.8	76%	0.759	71%	0.714	S	S	*	*				86.3	140.2	56.4	-76.4	175.2	0	0	0	113.8
610	T	31.8	Very low	34.5	Very low	132 Å²	132	130.2 Å²	130.2	81%	0.81	71%	0.712	S	S	*	*			trans	62.9	151.3	165.9	49.4	0	0	0	0	117.6
611	D	30.8	Very low	34.4	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	72%	0.718	S	S	*	*			cis	-165.6	179.7	-28.2	-152.9	-25.3	0	0	0	106.7
612	E	32.2	Very low	34.5	Very low	156 Å²	156	132.2 Å²	132.2	73%	0.729	72%	0.716	S	S	*	*			trans	52	111.4	165.6	-64.3	-159.2	114.2	0	0	118.4
613	S	29.8	Very low	34.4	Very low	81 Å²	81	134 Å²	134	57%	0.566	72%	0.717	S	S	*	*				78.1	143.7	70.6	96	0	0	0	0	116.3
614	Q	33	Very low	34.3	Very low	143 Å²	143	137.3 Å²	137.3	67%	0.668	73%	0.726	S	S	*	*			trans	71.2	145.6	166	-60.2	177.2	78.9	0	0	116.1
615	R	32.6	Very low	34.2	Very low	191 Å²	191	136.2 Å²	136.2	72%	0.721	72%	0.722	S	S	*	*			cis	-170.6	164.8	-7.4	-120.3	160.1	123.6	167	-1.1	109.7
616	T	30.6	Very low	34.1	Very low	115 Å²	115	139.8 Å²	139.8	71%	0.706	74%	0.735	S	S	*	*			trans	64.4	146.2	154.1	46.6	0	0	0	0	117
617	D	37.3	Very low	33.9	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	73%	0.732	S	S	*	*			cis	-157.8	160.7	17.7	-125.1	-0.9	0	0	0	113.1
618	Q	35.2	Very low	33.8	Very low	161 Å²	161	137.2 Å²	137.2	75%	0.752	74%	0.736	S	S	*	*			trans	69.2	90.3	151.1	-65.6	161.4	51.2	0	0	121.2
619	E	36.3	Very low	33.7	Very low	183 Å²	183	137 Å²	137	86%	0.855	74%	0.735	S	S	*	*				18	161	107.8	-96	-172	123.1	0	0	122.1
620	P	39.9	Very low	33.9	Very low	100 Å²	100	137.5 Å²	137.5	65%	0.649	74%	0.738	S	S	*	*			cis	-139.8	-179.5	-7.9	44.3	-27.2	0	0	0	116.2
621	E	33.6	Very low	34.1	Very low	185 Å²	185	136.9 Å²	136.9	86%	0.864	73%	0.729	S	S	*	*			trans	34.4	129.8	162.2	-34.6	-157.5	142.7	0	0	119.8
622	S	37.2	Very low	34.3	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	73%	0.733	S	S	*	*				-175.5	148.5	60.4	54.1	0	0	0	0	114.2
623	D	34.7	Very low	34.5	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	73%	0.728	S	S	*	*			trans	64.9	129.2	143.6	-59.1	-12.7	0	0	0	124.7
624	L	37.1	Very low	34.8	Very low	160 Å²	160	137.4 Å²	137.4	84%	0.838	74%	0.735	S	S	*	*			trans	72.5	94.7	146.1	-65	169.7	0	0	0	122.1
625	N	35.4	Very low	35.1	Very low	136 Å²	136	135.9 Å²	135.9	73%	0.727	74%	0.737	S	S	*	*				21.3	117.7	121.1	-174.2	47.4	0	0	0	119.8
626	N	32.4	Very low	35.3	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	74%	0.737	S	S	*	*				-159.8	166.9	110	-138.3	-19.8	0	0	0	113.6
627	S	32.9	Very low	35.7	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	74%	0.739	S	S	*	*			trans	-95.2	130.7	-176.2	157.5	0	0	0	0	114.2
628	S	31.3	Very low	35.6	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	74%	0.743	S	S	*	*			trans	-171.2	135.5	142.6	57.2	0	0	0	0	111.6
629	D	34.1	Very low	35.7	Very low	124 Å²	124	132.8 Å²	132.8	66%	0.663	75%	0.745	S	S	*	*			trans	169.8	166.7	130.1	-94	-4.9	0	0	0	115.2
630	N	34.5	Very low	35.5	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	74%	0.742	S	S	*	*			trans	99.3	82.2	-179.3	-56.4	-56.8	0	0	0	112.6
631	L	35.7	Very low	35.3	Very low	119 Å²	119	132.2 Å²	132.2	62%	0.623	75%	0.745	S	S	*	*			cis	58	114.7	35.5	-69.5	177.2	0	0	0	115.3
632	L	34.4	Very low	35.4	Very low	161 Å²	161	129 Å²	129	84%	0.843	74%	0.738	S	S	*	*			trans	-147.8	95.7	142.8	-152.8	66.7	0	0	0	106.3
633	N	37	Very low	35.2	Very low	115 Å²	115	130.2 Å²	130.2	62%	0.615	74%	0.741	S	S	*	*				66.1	134.8	89.7	-78.4	-11	0	0	0	113.5
634	T	35.9	Very low	35	Very low	116 Å²	116	129.4 Å²	129.4	71%	0.712	74%	0.742	S	S	*	*			cis	178.8	-179.2	-4.9	18.2	0	0	0	0	106.4
635	P	39.1	Very low	34.9	Very low	110 Å²	110	127.5 Å²	127.5	71%	0.714	74%	0.742	S	S	*	*			cis	-131.5	176	-31.2	34.5	-15.6	0	0	0	115
636	T	37	Very low	35	Very low	117 Å²	117	125.4 Å²	125.4	72%	0.718	74%	0.738	S	S	*	*			trans	-46.5	-176.3	154	35.3	0	0	0	0	116.3	V638	T636-V638 HydrophobicContact CG2-CG2 4.42Å
637	P	38.8	Very low	35.2	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	74%	0.738	S	S	*	*			cis	-124.3	161.5	1.3	11.5	16.3	0	0	0	114.6
638	V	34.8	Very low	35.3	Very low	121 Å²	121	124.5 Å²	124.5	73%	0.733	73%	0.73	S	S	*	*			cis	96.3	134.1	48.4	172.3	0	0	0	0	114.7	T636	T636-V638 HydrophobicContact CG2-CG2 4.42Å
639	E	37	Very low	35.5	Very low	168 Å²	168	128 Å²	128	79%	0.785	74%	0.735	S	S	*	*			trans	103.4	115.4	167.4	-57.2	-121.1	124.9	0	0	122.8
640	E	32.9	Very low	35.7	Very low	171 Å²	171	126.8 Å²	126.8	80%	0.799	74%	0.736	S	S	*	*			trans	60.9	139.1	138.2	-61.2	-145.2	131.3	0	0	127
641	S	36.4	Very low	35.8	Very low	101 Å²	101	125.9 Å²	125.9	71%	0.706	73%	0.732	S	S	*	*			trans	118.3	97.1	131.9	73.1	0	0	0	0	121.7
642	T	34.7	Very low	35.8	Very low	116 Å²	116	127.4 Å²	127.4	71%	0.712	74%	0.74	S	S	*	*				67.5	115.6	128.9	57.5	0	0	0	0	124.4
643	T	32.4	Very low	36	Very low	124 Å²	124	125.3 Å²	125.3	76%	0.761	73%	0.734	S	S	*	*			trans	69.3	153.5	131	65.7	0	0	0	0	120.2
644	T	31.5	Very low	36	Very low	130 Å²	130	126.7 Å²	126.7	80%	0.798	74%	0.741	S	S	*	*			cis	-152.5	152.8	1.7	-10.7	0	0	0	0	112
645	S	35.3	Very low	36.1	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	75%	0.745	S	S	*	*			trans	-155.3	166	154.6	-167.8	0	0	0	0	110.2
646	S	36.2	Very low	36	Very low	93 Å²	93	129.1 Å²	129.1	65%	0.65	75%	0.746	S	S	*	*			trans	-173.5	172.9	-169	57	0	0	0	0	114.3
647	I	37.4	Very low	36.1	Very low	155 Å²	155	132.2 Å²	132.2	80%	0.795	75%	0.753	S	S	*	*			trans	83.3	129.5	162.5	-60.3	161.8	0	0	0	115.3
648	S	35.1	Very low	36	Very low	84 Å²	84	137.4 Å²	137.4	59%	0.587	76%	0.757	S	S	*	*			cis	-164.7	164.3	-14.4	-106.3	0	0	0	0	112.5
649	E	35.3	Very low	36	Very low	171 Å²	171	136.7 Å²	136.7	80%	0.799	75%	0.753	S	S	*	*			trans	3.1	155.2	140.4	-62.6	147.2	141.6	0	0	120.3
650	S	38	Very low	36.1	Very low	98 Å²	98	134.9 Å²	134.9	69%	0.685	75%	0.749	S	S	*	*			cis	-161.6	169.6	-3.7	46.4	0	0	0	0	109.3
651	D	37.1	Very low	36.2	Very low	135 Å²	135	134.8 Å²	134.8	72%	0.722	75%	0.748	S	S	*	*				-179.6	144.3	84.7	-84.1	-22.1	0	0	0	112.8
652	L	36.4	Very low	36.2	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	75%	0.754	S	S	*	*			trans	21.4	150.4	135.5	-49.8	174.3	0	0	0	121.2
653	T	37.5	Very low	36.5	Very low	116 Å²	116	138.5 Å²	138.5	71%	0.712	76%	0.757	S	S	*	*			cis	-166.4	162.1	33.4	-23.5	0	0	0	0	113.4
654	D	37.8	Very low	36.4	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	76%	0.761	S	S	*	*			trans	-11.5	164.9	159.3	-51.5	-36.2	0	0	0	121.9
655	E	37.8	Very low	36.6	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	76%	0.762	S	S	*	*			cis	-160.6	157.1	12.3	-146.4	-177.9	172.6	0	0	113.9
656	S	36.9	Very low	36.3	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	76%	0.76	S	S	*	*			trans	66.5	162.1	152.7	77.5	0	0	0	0	121
657	Q	38.4	Very low	36.3	Very low	183 Å²	183	146.1 Å²	146.1	86%	0.855	77%	0.773	S	S	*	*				-172.4	140.7	-55.5	-117.2	-172.8	18.3	0	0	109.5
658	R	37.7	Very low	35.9	Very low	227 Å²	227	146.2 Å²	146.2	86%	0.857	78%	0.775	S	S	*	*			trans	120.8	107.2	166.1	-71.2	-176.3	110.5	165.2	2.1	113.9
659	T	35.1	Very low	35.8	Very low	105 Å²	105	147.4 Å²	147.4	64%	0.644	78%	0.784	S	S	*	*				70.9	119.5	74.5	63.1	0	0	0	0	112.3
660	D	38.7	Very low	35.5	Very low	130 Å²	130	144.1 Å²	144.1	70%	0.695	78%	0.78	S	S	*	*			cis	-147.9	154.2	18.5	-72.4	-60.1	0	0	0	115.1
661	Q	34	Very low	35.1	Very low	169 Å²	169	143.9 Å²	143.9	79%	0.79	78%	0.778	S	S	*	*			trans	37.7	125.4	146.8	-61.7	168.7	-4.5	0	0	120.8
662	E	36.3	Very low	34.8	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	78%	0.78	S	S	*	*				71.1	147.1	53	-81.3	-161.5	118.8	0	0	116.4
663	P	41.3	Very low	34.5	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	78%	0.776	S	S	*	*			cis	-135.6	-173.9	-18.6	38.1	-18.9	0	0	0	114.6
664	E	30.3	Very low	34.3	Very low	184 Å²	184	145.2 Å²	145.2	86%	0.86	78%	0.781	S	S	*	*			trans	-81.3	167.2	176.2	-57.8	171.2	151.4	0	0	113.8
665	S	36	Very low	33.9	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	79%	0.786	S	S	*	*			trans	-156.6	115.8	155.8	64	0	0	0	0	112.5
666	D	29.9	Very low	33.6	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	79%	0.787	S	S	*	*			trans	-67.3	145.8	168	-49	-86.9	0	0	0	111.9
667	L	34.9	Very low	33.4	Very low	177 Å²	177	146.3 Å²	146.3	93%	0.927	79%	0.787	S	S	*	*			trans	-144.8	137.6	146.1	-82.4	-172.8	0	0	0	111
668	N	29.5	Very low	33.4	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	78%	0.784	S	S	*	*			trans	-115.5	122.1	174.9	168.9	7.4	0	0	0	108.4
669	S	33.4	Very low	33	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	78%	0.782	S	S	*	*			trans	-151.9	102.2	168.4	59.8	0	0	0	0	112.7
670	S	28.1	Very low	32.8	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	79%	0.792	S	S	*	*			trans	-1	154.6	140.1	-167.8	0	0	0	0	120.1
671	S	30.1	Very low	32.5	Very low	92 Å²	92	141.6 Å²	141.6	64%	0.643	80%	0.796	S	S	*	*			trans	89.1	116.1	150.8	65.9	0	0	0	0	119.5
672	D	30.7	Very low	32.4	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	80%	0.801	S	S	*	*				82.7	123.6	129.9	-64.2	13.1	0	0	0	122.1
673	N	30.7	Very low	32.3	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	80%	0.801	S	S	*	*			trans	86.9	132.7	136.1	-82.1	-47.4	0	0	0	122.1
674	L	32.2	Very low	31.8	Very low	153 Å²	153	142 Å²	142	80%	0.801	81%	0.805	S	S	*	*			trans	71.6	105.3	147.3	-65.2	166.2	0	0	0	119	N676	L674-N676 PolarHBondContact O-N 3.13Å
675	L	29.1	Very low	32	Very low	169 Å²	169	139.8 Å²	139.8	89%	0.885	81%	0.805	S	S	*	*			trans	-33.6	115.6	149.2	178.8	73.1	0	0	0	112.3
676	N	32.6	Very low	31.8	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	80%	0.802	S	S	*	*			trans	-156	130.9	162.1	-135.9	-7.9	0	0	0	111.1	L674	L674-N676 PolarHBondContact O-N 3.13Å
677	T	32.4	Very low	31.6	Very low	121 Å²	121	139.4 Å²	139.4	74%	0.742	80%	0.804	S	S	*	*			trans	-80.7	124.4	-173.4	-40.9	0	0	0	0	111.3	T679	T677-T679 PolarHBondContact O-N 3.17Å
678	P	37.4	Very low	31.5	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	80%	0.803	S	S	*	*			trans	-80.7	115.9	172.9	30.9	-31.5	0	0	0	110.9
679	T	31.2	Very low	31.7	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	80%	0.797	S	S	*	*			trans	-67.6	148.4	166.8	-49.5	0	0	0	0	110.6	T677	T677-T679 PolarHBondContact O-N 3.17Å
680	L	29.7	Very low	31.5	Very low	165 Å²	165	136.9 Å²	136.9	86%	0.864	80%	0.799	S	S	*	*			trans	-55.3	145	179.6	-72.1	167.2	0	0	0	113.7
681	V	31.8	Very low	31.8	Very low	129 Å²	129	137.9 Å²	137.9	78%	0.782	81%	0.806	S	S	*	*			trans	-128.2	118.7	159	176.8	0	0	0	0	107.5
682	E	33.1	Very low	31.9	Very low	191 Å²	191	142.5 Å²	142.5	89%	0.893	82%	0.817	S	S	*	*			trans	-73.6	130.2	167	-67.6	-173.5	109.8	0	0	110.1
683	E	33.6	Very low	32.3	Very low	179 Å²	179	140.6 Å²	140.6	84%	0.836	82%	0.815	S	S	*	*			trans	-117.2	120.4	151.8	-79.3	-141.8	135.1	0	0	110.1	T685	E683-T685 PolarHBondContact O-N 3.48Å
684	A	31.8	Very low	32.8	Very low	102 Å²	102	141.5 Å²	141.5	84%	0.843	82%	0.82	S	S	*	*			trans	-82.2	110.8	-179	0	0	0	0	0	111.5
685	T	34	Very low	33	Very low	138 Å²	138	140.9 Å²	140.9	85%	0.847	82%	0.817	S	S	*	*			trans	-114.3	139.7	165.1	49.5	0	0	0	0	112.1	E683	E683-T685 PolarHBondContact O-N 3.48Å
686	T	30.8	Very low	33.4	Very low	122 Å²	122	139.6 Å²	139.6	75%	0.748	82%	0.816	S	S	*	*			trans	-100.4	144.5	-159.6	50.5	0	0	0	0	115.4
687	T	27.4	Very low	33.7	Very low	137 Å²	137	139.5 Å²	139.5	84%	0.84	82%	0.815	S	S	*	*			trans	62.9	107.6	149.5	53.4	0	0	0	0	119.7
688	S	32.3	Very low	34.1	Very low	130 Å²	130	143.1 Å²	143.1	91%	0.909	82%	0.824	S	S	*	*			trans	-132.7	161.7	134.4	63	0	0	0	0	108.4
689	S	33.1	Very low	34.1	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	82%	0.815	S	S	*	*			trans	-141.8	133.7	-155.3	61.8	0	0	0	0	116.3
690	I	30.1	Very low	34.5	Very low	156 Å²	156	142 Å²	142	80%	0.8	81%	0.808	S	S	*	*			trans	60.7	126.5	148.2	-56.7	165.8	0	0	0	117.7
691	S	33.4	Very low	35	Very low	124 Å²	124	143.8 Å²	143.8	87%	0.867	80%	0.804	S	S	*	*			trans	-159.1	92.9	147.3	-78.9	0	0	0	0	111.2
692	E	32.7	Very low	35.3	Very low	189 Å²	189	142.4 Å²	142.4	88%	0.883	80%	0.796	S	S	*	*			trans	-115.9	119.2	157.3	-79.9	-169.2	136.5	0	0	108
693	S	38	Very low	35.5	Very low	102 Å²	102	140 Å²	140	71%	0.713	79%	0.789	S	S	*	*			trans	-171	118.1	166.2	58.6	0	0	0	0	114
694	D	41.2	Very low	35.7	Very low	155 Å²	155	140.3 Å²	140.3	83%	0.829	79%	0.79	S	S	*	*			trans	-159.2	89.7	146.8	-97.3	-34.1	0	0	0	106.7
695	L	36.8	Very low	36	Very low	140 Å²	140	143.9 Å²	143.9	73%	0.733	79%	0.79	S	S	*	*				61.2	113.6	89	-61.2	177.2	0	0	0	112.6
696	T	38.2	Very low	36.4	Very low	141 Å²	141	143.3 Å²	143.3	87%	0.865	79%	0.788	S	S	*	*				-165.1	170.1	67	25.2	0	0	0	0	114.4
697	D	38.6	Very low	36.8	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	79%	0.793	S	S	*	*			trans	-64.5	146.7	-176.6	-75.6	-77.5	0	0	0	117.6
698	E	41	Very low	37.4	Very low	197 Å²	197	143.7 Å²	143.7	92%	0.921	78%	0.781	S	S	*	*				-155.1	171.3	103.2	-128.7	-168.3	-179.6	0	0	112.7
699	S	38.2	Very low	37.7	Very low	84 Å²	84	144.5 Å²	144.5	59%	0.587	78%	0.776	S	S	*	*			trans	-141.1	157.4	-153.2	81.6	0	0	0	0	118.7
700	Q	39.7	Very low	37.9	Very low	146 Å²	146	146.6 Å²	146.6	68%	0.682	78%	0.778	S	S	*	*			trans	85	113.9	152.7	-74.4	-178.7	74.7	0	0	122.5
701	R	39.4	Very low	38.2	Very low	203 Å²	203	145.2 Å²	145.2	77%	0.766	77%	0.772	S	S	*	*				79.6	144	128.2	-63.3	167.8	86.7	161.3	8.2	118.1
702	T	37.3	Very low	38.3	Very low	100 Å²	100	146 Å²	146	61%	0.613	77%	0.766	S	S	*	*			cis	-158.9	148.8	2.6	8	0	0	0	0	111.5
703	D	38.5	Very low	38.4	Very low	141 Å²	141	141.6 Å²	141.6	75%	0.754	76%	0.756	S	S	*	*			trans	32.8	125.5	146.1	-37	-24.9	0	0	0	122
704	Q	37.8	Very low	38.2	Very low	185 Å²	185	141.4 Å²	141.4	86%	0.864	76%	0.755	S	S	*	*				-176.9	171	102	-97.4	-177.2	-9.9	0	0	115.1
705	E	37.8	Very low	38	Very low	177 Å²	177	140.8 Å²	140.8	83%	0.827	75%	0.752	S	S	*	*			trans	-77.7	163.4	-154.5	-66.1	159.6	97.9	0	0	118.5
706	P	42.3	Very low	37.8	Very low	125 Å²	125	141 Å²	141	81%	0.812	75%	0.754	S	S	*	*			trans	-105.2	147.7	174.8	38.6	-32.4	0	0	0	116.5
707	E	38.6	Very low	37.7	Very low	183 Å²	183	142.7 Å²	142.7	86%	0.855	76%	0.757	S	S	*	*			trans	-158.6	156.2	167	-95.5	-146.6	-104.8	0	0	109.8
708	S	39.6	Very low	37.3	Very low	85 Å²	85	143 Å²	143	59%	0.594	76%	0.757	S	S	*	*			cis	-168.3	157.5	-21.8	49.5	0	0	0	0	112
709	D	38.8	Very low	37	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	75%	0.753	S	S	*	*			trans	60.3	138.5	146.5	-90.7	17	0	0	0	126
710	L	37.4	Very low	36.8	Very low	146 Å²	146	142.4 Å²	142.4	76%	0.764	76%	0.759	S	S	*	*			trans	88	86.4	145.2	-67.5	163.9	0	0	0	124
711	N	37.3	Very low	36.4	Very low	128 Å²	128	141.6 Å²	141.6	68%	0.684	77%	0.766	S	S	*	*				68.1	121.7	102.9	-160.3	25.8	0	0	0	123.6
712	N	35.5	Very low	36.1	Very low	139 Å²	139	138 Å²	138	74%	0.743	77%	0.767	S	S	*	*			trans	90.9	123.6	138.7	-108.8	-10.2	0	0	0	125.2
713	S	34.6	Very low	35.8	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	78%	0.779	S	S	*	*			trans	77.2	119.7	136.4	-135.9	0	0	0	0	123
714	S	33.6	Very low	35.5	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	78%	0.779	S	S	*	*			trans	51.2	120.7	134.8	-46	0	0	0	0	119.1
715	D	36.7	Very low	35.2	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	78%	0.78	S	S	*	*				-168.6	160.6	54.5	-105	-34.6	0	0	0	113.2
716	N	33.5	Very low	34.9	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	78%	0.778	S	S	*	*			trans	9.3	120.4	160.3	-69.6	-73.5	0	0	0	120.2
717	L	35.1	Very low	34.2	Very low	177 Å²	177	138.6 Å²	138.6	93%	0.927	78%	0.775	S	S	*	*				-158.4	144.2	120.1	-110.9	168.3	0	0	0	113
718	L	30.3	Very low	33.8	Very low	159 Å²	159	137.2 Å²	137.2	83%	0.832	77%	0.772	S	S	*	*			trans	-64.7	130.9	-172.9	-177.4	75	0	0	0	113.5
719	N	35.9	Very low	33.2	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	78%	0.778	S	S	*	*			trans	-157.8	150.9	149.4	-108.8	-19.6	0	0	0	112.7
720	T	32.1	Very low	32.6	Very low	116 Å²	116	137.8 Å²	137.8	71%	0.712	78%	0.777	S	S	*	*			trans	-40.4	140	-175.2	48	0	0	0	0	117.2
721	P	32	Very low	32.2	Very low	129 Å²	129	138.2 Å²	138.2	84%	0.838	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-68.7	141.7	168.3	31.4	-34.3	0	0	0	111
722	T	33.8	Very low	31.8	Very low	128 Å²	128	137.6 Å²	137.6	79%	0.785	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-92.5	136.5	165.3	-53.9	0	0	0	0	108.1	V724	T722-V724 PolarHBondContact O-N 3.46Å
723	L	30.8	Very low	31.8	Very low	167 Å²	167	136.1 Å²	136.1	87%	0.874	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-62.6	128.6	173	-77	164.4	0	0	0	109.6
724	V	31.3	Very low	31.9	Very low	122 Å²	122	133.5 Å²	133.5	74%	0.739	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-98.2	117.7	159.5	176.3	0	0	0	0	105.6	T722 E726	T722-V724 PolarHBondContact O-N 3.46Å; V724-E726 HydrophobicContact CG1-CG 4.43Å; V724-E726 PolarHBondContact O-N 3.3Å; V724-E726 VanDerWaalsContact O-N 3.17Å
725	E	32.3	Very low	32.5	Very low	191 Å²	191	135.3 Å²	135.3	89%	0.893	76%	0.755	S	S	*	*			trans	-73.5	99.3	164.5	-70.9	176.2	116.3	0	0	107.5	A727	E725-A727 PolarHBondContact O-N 2.73Å
726	E	30.4	Very low	32.8	Very low	170 Å²	170	131 Å²	131	79%	0.794	74%	0.737	S	S	*	*			trans	-69	120.6	160.2	-70.5	-168.4	142.5	0	0	107.6	V724 I728	V724-E726 HydrophobicContact CG1-CG 4.43Å; V724-E726 PolarHBondContact O-N 3.3Å; V724-E726 VanDerWaalsContact O-N 3.17Å; E726-I728 PolarHBondContact O-N 3.1Å
727	A	28.8	Very low	33	Very low	89 Å²	89	127.3 Å²	127.3	74%	0.736	72%	0.717	S	S	*	*			trans	-67.6	101.1	177.6	0	0	0	0	0	109.1	E725 T729	E725-A727 PolarHBondContact O-N 2.73Å; A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 3.21Å; A727-T729 PolarHBondContact O-OG1 2.8Å
728	I	29.5	Very low	33.5	Very low	154 Å²	154	122 Å²	122	79%	0.79	69%	0.689	S	S	*	*			trans	-60.7	98	172.2	-59.4	177.5	0	0	0	107.2	E726 T730	E726-I728 PolarHBondContact O-N 3.1Å; I728-T730 PolarHBondContact O-N 2.76Å; I728-T730 VanDerWaalsContact O-N 3.1Å
729	T	26.6	Very low	34.5	Very low	120 Å²	120	115.1 Å²	115.1	74%	0.736	65%	0.654	S	S	*	*			trans	-72.6	103.6	171.9	-60.6	0	0	0	0	106.1	A727 L731	A727-T729 VanDerWaalsContact C-N 3.31Å; A727-T729 PolarHBondContact O-N 3.21Å; A727-T729 PolarHBondContact O-OG1 2.8Å; T729-L731 VanDerWaalsContact C-N 3.31Å; T729-L731 PolarHBondContact O-N 3.38Å
730	T	28.1	Very low	35.4	Very low	124 Å²	124	109.2 Å²	109.2	76%	0.761	63%	0.625	S	S	*	*			trans	-65.3	93.4	175.7	47.7	0	0	0	0	109	I728 S732	I728-T730 PolarHBondContact O-N 2.76Å; I728-T730 VanDerWaalsContact O-N 3.1Å; T730-S732 PolarHBondContact O-N 3.18Å
731	L	28.2	Very low	36.1	Very low	156 Å²	156	110.4 Å²	110.4	82%	0.817	63%	0.627	S	S	*	*			trans	-57.8	108.1	164.1	-84.4	157.8	0	0	0	107.7	T729 I733	T729-L731 VanDerWaalsContact C-N 3.31Å; T729-L731 PolarHBondContact O-N 3.38Å; L731-I733 PolarHBondContact O-N 3.4Å
732	S	29.2	Very low	36.7	Very low	115 Å²	115	105.8 Å²	105.8	80%	0.804	60%	0.595	S	S	*	*			trans	-72.4	84.6	169.5	53.4	0	0	0	0	108.3	T730 S734	T730-S732 PolarHBondContact O-N 3.18Å; S732-S734 PolarHBondContact O-N 2.72Å
733	I	34.8	Very low	36.9	Very low	107 Å²	107	104.7 Å²	104.7	55%	0.549	59%	0.585	S	S	.	*			trans	-55.7	127	169.2	-55.9	175	0	0	0	107	L731 D737 L738	L731-I733 PolarHBondContact O-N 3.4Å; I733-D737 HydrophobicContact CG2-CB 3.63Å; I733-L738 HydrophobicContact CB-CD1 4.45Å; I733-L738 HydrophobicContact CD1-CD1 4.33Å; I733-L738 HydrophobicContact CG2-CB 4.31Å; I733-L738 HydrophobicContact CG2-CD1 3.77Å
734	S	37.3	Very low	37.2	Very low	42 Å²	42	101.4 Å²	101.4	29%	0.294	57%	0.57	S	S	.	*			trans	-71.9	159	-178.5	72.7	0	0	0	0	110.6	S732 S736 D737 L738	S732-S734 PolarHBondContact O-N 2.72Å; S734-S736 WeakPolarHBondContact CB-OG 3.39Å; S734-S736 PolarHBondContact O-N 2.83Å; S734-S736 PolarHBondContact OG-OG 2.76Å; S734-D737 VanDerWaalsContact CB-OD2 3.28Å; S734-D737 WeakPolarHBondContact CB-OD2 3.35Å; S734-D737 PolarHBondContact N-OD2 2.71Å; S734-D737 PolarHBondContact O-N 2.96Å; S734-D737 VanDerWaalsContact O-N 3.15Å; S734-D737 PolarHBondContact OG-N 2.93Å; S734-D737 VanDerWaalsContact OG-N 3.07Å; S734-D737 PolarHBondContact OG-OD2 2.99Å; S734-L738 PolarHBondContact O-N 2.78Å; S734-L738 VanDerWaalsContact O-N 3.13Å
735	E	44.8	Very low	37.5	Very low	136 Å²	136	100.3 Å²	100.3	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-60.3	-33.8	174.2	-59.6	-157.1	91	0	0	111.6	K192 S739	K192-E735 IonicContact NZ-OE1 2.75Å; K192-E735 PolarHBondContact NZ-OE1 2.8Å; E735-S739 WeakPolarHBondContact O-CB 3.45Å; E735-S739 PolarHBondContact O-N 3.38Å
736	S	44.3	Very low	37.8	Very low	53 Å²	53	94.9 Å²	94.9	37%	0.371	54%	0.541	S	S	.	.	H	α-helix	trans	-63.2	-39.9	172.6	25.4	0	0	0	0	113.7	E158 S734 S739 C740	E158-S736 WeakPolarHBondContact O-CB 3.25Å; S734-S736 WeakPolarHBondContact CB-OG 3.39Å; S734-S736 PolarHBondContact O-N 2.83Å; S734-S736 PolarHBondContact OG-OG 2.76Å; S736-S739 WeakPolarHBondContact O-CB 2.92Å; S736-S739 PolarHBondContact O-N 3.23Å; S736-C740 PolarHBondContact O-SG 3.19Å
737	D	37.1	Very low	38.3	Very low	66 Å²	66	90.3 Å²	90.3	35%	0.353	53%	0.525	S	S	.	.	H	α-helix	trans	-68.6	-50	177.1	-55.2	-50	0	0	0	110.1	I733 S734 S739 C740 D741	I733-D737 HydrophobicContact CG2-CB 3.63Å; S734-D737 VanDerWaalsContact CB-OD2 3.28Å; S734-D737 WeakPolarHBondContact CB-OD2 3.35Å; S734-D737 PolarHBondContact N-OD2 2.71Å; S734-D737 PolarHBondContact O-N 2.96Å; S734-D737 VanDerWaalsContact O-N 3.15Å; S734-D737 PolarHBondContact OG-N 2.93Å; S734-D737 VanDerWaalsContact OG-N 3.07Å; S734-D737 PolarHBondContact OG-OD2 2.99Å; D737-S739 PolarHBondContact O-N 2.87Å; D737-S739 VanDerWaalsContact O-N 3.16Å; D737-C740 PolarHBondContact O-N 2.72Å; D737-D741 PolarHBondContact O-N 3.33Å
738	L	46.1	Very low	38.9	Very low	65 Å²	65	90.3 Å²	90.3	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-20.7	179.4	-141.9	84.5	0	0	0	112.7	K192 I733 S734 C740	K192-L738 HydrophobicContact CB-CD2 4.36Å; K192-L738 HydrophobicContact CD-CD2 3.82Å; K192-L738 HydrophobicContact CG-CD2 4.1Å; I733-L738 HydrophobicContact CB-CD1 4.45Å; I733-L738 HydrophobicContact CD1-CD1 4.33Å; I733-L738 HydrophobicContact CG2-CB 4.31Å; I733-L738 HydrophobicContact CG2-CD1 3.77Å; S734-L738 PolarHBondContact O-N 2.78Å; S734-L738 VanDerWaalsContact O-N 3.13Å; L738-C740 PolarHBondContact O-N 2.84Å
739	S	51.3	Low	39.6	Very low	14 Å²	14	85.8 Å²	85.8	10%	0.098	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.3	176	176.6	0	0	0	0	113.5	Y22 F157 E735 S736 D737	Y22-S739 WeakPolarHBondContact OH-CA 3.26Å; Y22-S739 WeakPolarHBondContact OH-CB 3.38Å; Y22-S739 PolarHBondContact OH-O 2.98Å; Y22-S739 PolarHBondContact OH-OG 3.32Å; F157-S739 VanDerWaalsContact CD2-OG 3.32Å; F157-S739 WeakPolarHBondContact CD2-OG 3.37Å; F157-S739 WeakPolarHBondContact CE2-OG 3.28Å; E735-S739 WeakPolarHBondContact O-CB 3.45Å; E735-S739 PolarHBondContact O-N 3.38Å; S736-S739 WeakPolarHBondContact O-CB 2.92Å; S736-S739 PolarHBondContact O-N 3.23Å; D737-S739 PolarHBondContact O-N 2.87Å; D737-S739 VanDerWaalsContact O-N 3.16Å
740	C	54.7	Low	40.6	Very low	30 Å²	30	83.2 Å²	83.2	20%	0.203	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-17.2	-166	-57.1	0	0	0	0	114	M1 C159 S736 D737 L738 L742	M1-C740 PolarHBondContact N-O 3.35Å; C159-C740 WeakPolarHBondContact CA-SG 3.33Å; C159-C740 HydrophobicContact CB-CB 3.52Å; C159-C740 WeakPolarHBondContact CB-SG 3.27Å; C159-C740 WeakPolarHBondContact SG-CB 3.42Å; C159-C740 CovalentContact SG-SG 2.01Å; C159-C740 PolarHBondContact SG-SG 2.87Å; S736-C740 PolarHBondContact O-SG 3.19Å; D737-C740 PolarHBondContact O-N 2.72Å; L738-C740 PolarHBondContact O-N 2.84Å; C740-L742 PolarHBondContact O-N 2.92Å
741	D	47.5	Very low	41.6	Very low	140 Å²	140	79.8 Å²	79.8	75%	0.749	45%	0.449	S	S	*	.			trans	-71.6	-5.2	163.1	-79.3	-24.7	0	0	0	113.8	D737	D737-D741 PolarHBondContact O-N 3.33Å
742	L	44.1	Very low	42.8	Very low	33 Å²	33	72.8 Å²	72.8	17%	0.173	42%	0.415	C	S	.	.			trans	-87.7	0	177.6	-71.7	173.2	0	0	0	112.9	M1 D2 R5 Y22 C740	M1-L742 WeakPolarHBondContact CA-O 3.44Å; M1-L742 PolarHBondContact N-O 2.8Å; D2-L742 PolarHBondContact N-OXT 3.43Å; R5-L742 WeakPolarHBondContact CD-OXT 3.42Å; R5-L742 VanDerWaalsContact CZ-CD2 3.46Å; Y22-L742 HydrophobicContact CE2-CB 4.21Å; Y22-L742 HydrophobicContact CE2-CD1 3.81Å; C740-L742 PolarHBondContact O-N 2.92Å

Retrieved 742 of 742 residues in 233.4 ms (Link to these results)

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