A0A077Z8Y9_TRITR Loading...

Phosphatidylinositol transfer protein alpha

AlphaFold DB , UniProt , Accession A0A077Z8Y9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	80.7	Confident	94.8	Very high	105 Å²	105	15.8 Å²	15.8	52%	0.517	8%	0.078	S	C	.	.				0	107.6	0	-174.6	175.7	64.1	0	0	107.6	I3 L138 L141 T197 V198 E210	M1-I3 HydrophobicContact CE-CD1 3.74Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-I3 HydrophobicContact CG-CG1 4.3Å; M1-I3 HydrophobicContact SD-CD1 4.41Å; M1-L138 HydrophobicContact CE-CD2 3.71Å; M1-L141 HydrophobicContact CE-CD1 4.43Å; M1-T197 HydrophobicContact CG-CG2 3.94Å; M1-T197 HydrophobicContact SD-CG2 3.86Å; M1-V198 VanDerWaalsContact CA-O 3.26Å; M1-V198 WeakPolarHBondContact CA-O 3.46Å; M1-E210 PolarHBondContact N-OE1 3.36Å
2	L	85.9	Confident	95.1	Very high	38 Å²	38	14.5 Å²	14.5	20%	0.199	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	136.4	174.9	-176.3	67.3	0	0	0	108.7	I4 T197 V198 E210	L2-I4 HydrophobicContact CD1-CD1 3.92Å; L2-I4 HydrophobicContact CD1-CG1 3.98Å; L2-I4 HydrophobicContact CD2-CD1 3.77Å; L2-I4 HydrophobicContact CD2-CG1 4.35Å; L2-I4 HydrophobicContact CG-CD1 3.9Å; L2-I4 HydrophobicContact CG-CG1 3.95Å; L2-T197 WeakPolarHBondContact O-CA 3Å; L2-V198 HydrophobicContact CB-CB 4.19Å; L2-V198 HydrophobicContact CB-CG2 4.46Å; L2-V198 HydrophobicContact CD2-CG2 4.31Å; L2-V198 PolarHBondContact N-O 3.2Å; L2-V198 PolarHBondContact O-N 2.68Å; L2-E210 HydrophobicContact CD2-CB 4.49Å
3	I	93.3	Very high	95.4	Very high	7 Å²	7	16.5 Å²	16.5	4%	0.036	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	108.2	173.1	-58.9	-179.6	0	0	0	108.1	M1 L138 L141 R142 E143 L195 V196 T197	M1-I3 HydrophobicContact CE-CD1 3.74Å; M1-I3 HydrophobicContact CE-CG1 4.33Å; M1-I3 HydrophobicContact CG-CG1 4.3Å; M1-I3 HydrophobicContact SD-CD1 4.41Å; I3-L138 HydrophobicContact CD1-CB 4.24Å; I3-L138 HydrophobicContact CD1-CD2 3.82Å; I3-L141 HydrophobicContact CD1-CB 4.31Å; I3-R142 HydrophobicContact CG2-CB 3.98Å; I3-R142 HydrophobicContact CG2-CG 4.18Å; I3-R142 WeakPolarHBondContact O-CA 3.19Å; I3-E143 PolarHBondContact O-N 3.29Å; I3-L195 HydrophobicContact CG2-CD1 3.59Å; I3-L195 HydrophobicContact CG2-CG 4.41Å; I3-V196 WeakPolarHBondContact CA-O 3.49Å; I3-T197 HydrophobicContact CG1-CG2 4.38Å
4	I	95.7	Very high	95.6	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.4	177.7	-57.4	172.1	0	0	0	108.9	L2 Y6 E143 V145 L195 V196	L2-I4 HydrophobicContact CD1-CD1 3.92Å; L2-I4 HydrophobicContact CD1-CG1 3.98Å; L2-I4 HydrophobicContact CD2-CD1 3.77Å; L2-I4 HydrophobicContact CD2-CG1 4.35Å; L2-I4 HydrophobicContact CG-CD1 3.9Å; L2-I4 HydrophobicContact CG-CG1 3.95Å; I4-Y6 HydrophobicContact CB-CE2 4.07Å; I4-Y6 HydrophobicContact CG2-CD1 4.32Å; I4-Y6 HydrophobicContact CG2-CD2 4Å; I4-Y6 HydrophobicContact CG2-CE1 3.93Å; I4-Y6 HydrophobicContact CG2-CE2 3.61Å; I4-Y6 HydrophobicContact CG2-CG 4.37Å; I4-E143 CarbonylContact C-O 3.59Å; I4-E143 WeakPolarHBondContact CA-O 3.47Å; I4-E143 HydrophobicContact CG1-CB 4.32Å; I4-V145 HydrophobicContact CG2-CB 4.35Å; I4-V145 HydrophobicContact CG2-CG2 3.76Å; I4-L195 CarbonylContact O-C 3.54Å; I4-L195 WeakPolarHBondContact O-CA 3.39Å; I4-V196 PolarHBondContact N-O 2.99Å; I4-V196 PolarHBondContact O-N 3.45Å
5	E	97.7	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.4	169.3	-177.1	-179.8	98.9	0	0	109.6	R7 H132 R142 E143 V144 V145 K194 L195	E5-R7 HydrophobicContact CG-CG 4.44Å; E5-R7 IonicContact OE1-CZ 2.8Å; E5-R7 VanDerWaalsContact OE1-CZ 3.27Å; E5-R7 IonicContact OE1-NE 3.14Å; E5-R7 PolarHBondContact OE1-NE 3.34Å; E5-R7 IonicContact OE1-NH2 3.59Å; E5-R7 PolarHBondContact OE1-NH2 3.24Å; E5-H132 IonicContact OE2-CE1 3.14Å; E5-H132 IonicContact OE2-ND1 2.61Å; E5-H132 PolarHBondContact OE2-ND1 2.89Å; E5-R142 HydrophobicContact CB-CG 3.93Å; E5-R142 VanDerWaalsContact CD-NH1 3.33Å; E5-R142 IonicContact OE1-CZ 3.28Å; E5-R142 IonicContact OE1-NH1 3.34Å; E5-R142 PolarHBondContact OE1-NH1 2.54Å; E5-R142 IonicContact OE2-CZ 2.68Å; E5-R142 IonicContact OE2-NH1 3.98Å; E5-R142 PolarHBondContact OE2-NH1 3.04Å; E5-E143 PolarHBondContact N-O 3.23Å; E5-V144 HydrophobicContact CB-CG2 4.49Å; E5-V144 WeakPolarHBondContact O-CA 3.4Å; E5-V145 PolarHBondContact O-N 2.79Å; E5-K194 CarbonylContact C-O 3.59Å; E5-K194 WeakPolarHBondContact CA-O 3.4Å; E5-L195 HydrophobicContact CB-CD1 3.94Å
6	Y	97.7	Very high	96	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	126.8	170.9	-60.8	-84.3	0	0	0	109.7	I4 V145 L147 K194 V196 M215 K216 F219	I4-Y6 HydrophobicContact CB-CE2 4.07Å; I4-Y6 HydrophobicContact CG2-CD1 4.32Å; I4-Y6 HydrophobicContact CG2-CD2 4Å; I4-Y6 HydrophobicContact CG2-CE1 3.93Å; I4-Y6 HydrophobicContact CG2-CE2 3.61Å; I4-Y6 HydrophobicContact CG2-CG 4.37Å; Y6-V145 CarbonylContact C-O 3.17Å; Y6-V145 VanDerWaalsContact CA-O 3.26Å; Y6-V145 WeakPolarHBondContact CA-O 3.41Å; Y6-V145 HydrophobicContact CD1-CB 3.78Å; Y6-V145 HydrophobicContact CD1-CG1 3.87Å; Y6-V145 HydrophobicContact CE1-CB 4.01Å; Y6-V145 HydrophobicContact CE1-CG1 3.99Å; Y6-V145 HydrophobicContact CE1-CG2 4.37Å; Y6-L147 HydrophobicContact CD1-CD1 3.79Å; Y6-L147 HydrophobicContact CD1-CD2 4.07Å; Y6-L147 HydrophobicContact CD1-CG 3.98Å; Y6-L147 HydrophobicContact CG-CD1 4.27Å; Y6-K194 PolarHBondContact N-O 3Å; Y6-K194 PolarHBondContact O-N 3.32Å; Y6-V196 HydrophobicContact CD2-CG2 4.11Å; Y6-V196 HydrophobicContact CE2-CG2 3.99Å; Y6-M215 HydrophobicContact CE2-CB 4.18Å; Y6-M215 PolarHBondContact OH-N 2.83Å; Y6-K216 HydrophobicContact CE1-CB 3.77Å; Y6-K216 HydrophobicContact CE1-CG 4.41Å; Y6-K216 PolarHBondContact OH-N 3.09Å; Y6-F219 AromaticContact CD2-CD2 3.63Å; Y6-F219 HydrophobicContact CD2-CD2 3.63Å; Y6-F219 AromaticContact CD2-CE2 3.54Å; Y6-F219 HydrophobicContact CD2-CE2 3.54Å; Y6-F219 HydrophobicContact CE2-CD2 4.11Å; Y6-F219 AromaticContact CE2-CE2 3.94Å; Y6-F219 HydrophobicContact CE2-CE2 3.94Å; Y6-F219 AromaticContact CG-CD2 3.89Å; Y6-F219 HydrophobicContact CG-CD2 3.89Å; Y6-F219 HydrophobicContact CG-CE2 4.25Å
7	R	98.3	Very high	96.2	Very high	10 Å²	10	23.2 Å²	23.2	4%	0.038	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.5	174	-62.4	-172.9	-176.9	-162.8	-8.6	109.1	E5 G126 S128 V144 V145 Y146 L147 Y193	E5-R7 HydrophobicContact CG-CG 4.44Å; E5-R7 IonicContact OE1-CZ 2.8Å; E5-R7 VanDerWaalsContact OE1-CZ 3.27Å; E5-R7 IonicContact OE1-NE 3.14Å; E5-R7 PolarHBondContact OE1-NE 3.34Å; E5-R7 IonicContact OE1-NH2 3.59Å; E5-R7 PolarHBondContact OE1-NH2 3.24Å; R7-G126 WeakPolarHBondContact CD-O 3.1Å; R7-G126 PolarHBondContact NH1-O 3.42Å; R7-S128 PolarHBondContact NH1-O 2.88Å; R7-S128 PolarHBondContact NH2-O 3.29Å; R7-S128 VanDerWaalsContact NH2-O 3.07Å; R7-V144 HydrophobicContact CG-CG1 4.12Å; R7-V145 PolarHBondContact N-O 3.4Å; R7-Y146 HydrophobicContact CB-CD1 3.83Å; R7-Y146 HydrophobicContact CB-CE1 3.98Å; R7-Y146 HydrophobicContact CB-CG 4.43Å; R7-Y146 HydrophobicContact CG-CE1 4.4Å; R7-Y146 PolarHBondContact NH1-OH 3.49Å; R7-Y146 WeakPolarHBondContact O-CA 3.17Å; R7-L147 PolarHBondContact O-N 2.85Å; R7-Y193 HydrophobicContact CG-CD1 3.89Å; R7-Y193 HydrophobicContact CG-CE1 4.04Å
8	I	98.4	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	97.2	-169.2	-44.7	172.2	0	0	0	107.6	L147 I149 C191 C192 K194 F219 H223	I8-L147 HydrophobicContact CD1-CD1 4.09Å; I8-L147 HydrophobicContact CG1-CB 4.18Å; I8-L147 HydrophobicContact CG1-CD1 4.06Å; I8-L147 HydrophobicContact CG1-CG 4.35Å; I8-I149 HydrophobicContact CG2-CG2 3.89Å; I8-C191 WeakPolarHBondContact O-CA 3.28Å; I8-C192 HydrophobicContact CB-CB 4.19Å; I8-C192 PolarHBondContact N-O 2.9Å; I8-C192 PolarHBondContact O-N 3.23Å; I8-K194 HydrophobicContact CD1-CD 3.92Å; I8-K194 HydrophobicContact CD1-CG 4.4Å; I8-F219 HydrophobicContact CD1-CB 3.89Å; I8-F219 HydrophobicContact CD1-CG 4.39Å; I8-H223 WeakPolarHBondContact CD1-CE1 3.36Å; I8-H223 HydrophobicContact CG2-CB 3.98Å
9	V	98.4	Very high	96.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	138.9	177.7	179.3	0	0	0	0	109	R125 W182 M183 V189 M190	V9-R125 VanDerWaalsContact CG2-O 3.31Å; V9-R125 WeakPolarHBondContact CG2-O 3.46Å; V9-W182 HydrophobicContact CG1-CZ3 4.33Å; V9-W182 WeakPolarHBondContact O-CH2 3.39Å; V9-M183 HydrophobicContact CB-CE 3.75Å; V9-M183 HydrophobicContact CB-CG 4.36Å; V9-M183 HydrophobicContact CG2-CE 3.57Å; V9-V189 HydrophobicContact CG1-CG2 3.58Å; V9-M190 CarbonylContact C-O 3.49Å; V9-M190 WeakPolarHBondContact CA-O 3.11Å
10	L	98.6	Very high	96.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.4	178.6	-65.4	172.3	0	0	0	110.8	L12 Y17 I149 V189 M190 H223	L10-L12 HydrophobicContact CB-CB 4.32Å; L10-L12 HydrophobicContact CB-CD1 4.13Å; L10-L12 HydrophobicContact CB-CG 4.14Å; L10-L12 HydrophobicContact CD1-CD1 4.14Å; L10-L12 PolarHBondContact O-N 3.42Å; L10-Y17 HydrophobicContact CD1-CD2 3.46Å; L10-Y17 VanDerWaalsContact CD1-CD2 3.46Å; L10-Y17 HydrophobicContact CD1-CE2 3.33Å; L10-I149 HydrophobicContact CD2-CD1 3.71Å; L10-I149 HydrophobicContact CD2-CG2 4.47Å; L10-V189 WeakPolarHBondContact O-CA 3.49Å; L10-M190 HydrophobicContact CB-CG 4.13Å; L10-M190 PolarHBondContact N-O 3.22Å; L10-M190 PolarHBondContact O-N 3.07Å; L10-H223 HydrophobicContact CD2-CB 4.23Å
11	P	98.2	Very high	96.6	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.026	12%	0.118	C	C	.	.	S	Bend	trans	-79.8	56.3	175.5	36.7	-38.6	0	0	0	111.2	R175 L178 C186 P188 F227	P11-R175 VanDerWaalsContact O-CD 3.24Å; P11-R175 WeakPolarHBondContact O-CD 3.33Å; P11-R175 PolarHBondContact O-NH1 2.71Å; P11-R175 VanDerWaalsContact O-NH1 3.11Å; P11-L178 HydrophobicContact CG-CD1 4.44Å; P11-L178 HydrophobicContact CG-CD2 4.11Å; P11-C186 HydrophobicContact CB-CB 3.86Å; P11-P188 CarbonylContact C-O 3.6Å; P11-P188 VanDerWaalsContact C-O 3.24Å; P11-P188 WeakPolarHBondContact CA-O 3.39Å; P11-F227 HydrophobicContact CB-CE2 4.42Å; P11-F227 HydrophobicContact CG-CD2 3.44Å; P11-F227 VanDerWaalsContact CG-CD2 3.44Å; P11-F227 HydrophobicContact CG-CE2 3.24Å; P11-F227 HydrophobicContact CG-CZ 4.22Å
12	L	98.6	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-136.7	158.7	-173.1	-61.3	178.5	0	0	0	109.5	L10 E16 Y17 P188 V189 M190 V226 M230 W233	L10-L12 HydrophobicContact CB-CB 4.32Å; L10-L12 HydrophobicContact CB-CD1 4.13Å; L10-L12 HydrophobicContact CB-CG 4.14Å; L10-L12 HydrophobicContact CD1-CD1 4.14Å; L10-L12 PolarHBondContact O-N 3.42Å; L12-E16 WeakPolarHBondContact CA-OE2 3.03Å; L12-Y17 HydrophobicContact CD1-CD2 3.85Å; L12-P188 PolarHBondContact N-O 2.81Å; L12-V189 CarbonylContact O-C 3.24Å; L12-M190 HydrophobicContact CB-CG 4.1Å; L12-M190 HydrophobicContact CB-SD 4.47Å; L12-M190 WeakPolarHBondContact O-CG 3.49Å; L12-M190 PolarHBondContact O-N 3.2Å; L12-V226 HydrophobicContact CD1-CG1 4.15Å; L12-M230 HydrophobicContact CD2-CE 3.55Å; L12-W233 HydrophobicContact CD1-CH2 4.42Å; L12-W233 HydrophobicContact CD1-CZ2 4.4Å; L12-W233 HydrophobicContact CD2-CH2 3.54Å; L12-W233 HydrophobicContact CD2-CZ2 3.96Å
13	T	98.7	Very high	98.1	Very high	40 Å²	40	19 Å²	19	25%	0.245	9%	0.093	C	C	.	.			trans	-81.2	162.9	159.5	83.2	0	0	0	0	110.4	E15 E16 Y17 P188	T13-E15 VanDerWaalsContact C-N 3.29Å; T13-E15 VanDerWaalsContact CB-OE2 3.26Å; T13-E15 WeakPolarHBondContact CB-OE2 3.34Å; T13-E15 PolarHBondContact O-N 3.22Å; T13-E15 PolarHBondContact OG1-N 2.98Å; T13-E15 PolarHBondContact OG1-OE2 2.98Å; T13-E16 HydrophobicContact CG2-CG 4.48Å; T13-E16 PolarHBondContact N-OE2 2.86Å; T13-E16 PolarHBondContact O-N 3.05Å; T13-E16 WeakPolarHBondContact OG1-CG 3.5Å; T13-E16 PolarHBondContact OG1-N 3.48Å; T13-E16 VanDerWaalsContact OG1-N 3.1Å; T13-Y17 PolarHBondContact O-N 3.3Å; T13-Y17 VanDerWaalsContact O-N 3.08Å; T13-P188 HydrophobicContact CG2-CB 3.7Å; T13-P188 HydrophobicContact CG2-CG 3.81Å
14	V	98.7	Very high	98.3	Very high	19 Å²	19	18.7 Å²	18.7	12%	0.115	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-43.4	173.6	173.1	0	0	0	0	109.8	E16 Y17 Q18 Y96 P97 H121 A123 M190	V14-E16 PolarHBondContact O-N 2.89Å; V14-Y17 PolarHBondContact O-N 2.79Å; V14-Q18 PolarHBondContact O-N 3.02Å; V14-Q18 VanDerWaalsContact O-N 3.16Å; V14-Y96 HydrophobicContact CG1-CE1 3.69Å; V14-Y96 VanDerWaalsContact CG1-OH 3.26Å; V14-Y96 WeakPolarHBondContact CG1-OH 3.38Å; V14-Y96 PolarHBondContact O-OH 3.41Å; V14-P97 HydrophobicContact CG1-CB 4.35Å; V14-H121 HydrophobicContact CG1-CB 4.36Å; V14-A123 HydrophobicContact CG2-CB 3.95Å; V14-M190 HydrophobicContact CG2-CB 3.95Å
15	E	98.5	Very high	98.4	Very high	128 Å²	128	20.7 Å²	20.7	60%	0.598	10%	0.104	S	C	*	.	H	α-helix	trans	-63.4	-42.2	178.9	-57	71.5	-155.1	0	0	112.3	T13 Y17 Q18	T13-E15 VanDerWaalsContact C-N 3.29Å; T13-E15 VanDerWaalsContact CB-OE2 3.26Å; T13-E15 WeakPolarHBondContact CB-OE2 3.34Å; T13-E15 PolarHBondContact O-N 3.22Å; T13-E15 PolarHBondContact OG1-N 2.98Å; T13-E15 PolarHBondContact OG1-OE2 2.98Å; E15-Y17 VanDerWaalsContact C-N 3.31Å; E15-Y17 PolarHBondContact O-N 2.86Å; E15-Q18 WeakPolarHBondContact O-CB 3.06Å; E15-Q18 PolarHBondContact O-N 3.13Å
16	E	98.7	Very high	98.4	Very high	32 Å²	32	21 Å²	21	15%	0.15	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-40.4	176	-71.6	170.1	162	0	0	111.4	L12 T13 V14 Q18 V19 A20 R175 W233 Y234	L12-E16 WeakPolarHBondContact CA-OE2 3.03Å; T13-E16 HydrophobicContact CG2-CG 4.48Å; T13-E16 PolarHBondContact N-OE2 2.86Å; T13-E16 PolarHBondContact O-N 3.05Å; T13-E16 WeakPolarHBondContact OG1-CG 3.5Å; T13-E16 PolarHBondContact OG1-N 3.48Å; T13-E16 VanDerWaalsContact OG1-N 3.1Å; V14-E16 PolarHBondContact O-N 2.89Å; E16-Q18 VanDerWaalsContact C-N 3.29Å; E16-Q18 PolarHBondContact O-N 2.93Å; E16-V19 PolarHBondContact O-N 3.04Å; E16-A20 WeakPolarHBondContact O-CB 3.4Å; E16-A20 PolarHBondContact O-N 3.34Å; E16-R175 IonicContact OE1-CZ 2.87Å; E16-R175 IonicContact OE1-NH1 3.97Å; E16-R175 IonicContact OE1-NH2 3.53Å; E16-R175 PolarHBondContact OE1-NH2 3.08Å; E16-R175 IonicContact OE2-CZ 3.57Å; E16-R175 IonicContact OE2-NH1 3.52Å; E16-R175 PolarHBondContact OE2-NH1 2.72Å; E16-R175 IonicContact OE2-NH2 2.73Å; E16-R175 PolarHBondContact OE2-NH2 2.89Å; E16-W233 HydrophobicContact CB-CZ3 4.27Å; E16-Y234 HydrophobicContact CG-CE2 4.45Å; E16-Y234 WeakPolarHBondContact OE1-CE2 3.32Å
17	Y	98.8	Very high	98.3	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-68.6	-26.8	-179.4	-173.5	-93.4	0	0	0	113.4	L10 L12 T13 V14 E15 V19 A20 Q21 Y96 H121 M190 H223 V226	L10-Y17 HydrophobicContact CD1-CD2 3.46Å; L10-Y17 VanDerWaalsContact CD1-CD2 3.46Å; L10-Y17 HydrophobicContact CD1-CE2 3.33Å; L12-Y17 HydrophobicContact CD1-CD2 3.85Å; T13-Y17 PolarHBondContact O-N 3.3Å; T13-Y17 VanDerWaalsContact O-N 3.08Å; V14-Y17 PolarHBondContact O-N 2.79Å; E15-Y17 VanDerWaalsContact C-N 3.31Å; E15-Y17 PolarHBondContact O-N 2.86Å; Y17-V19 VanDerWaalsContact C-N 3.29Å; Y17-V19 PolarHBondContact O-N 3.23Å; Y17-A20 PolarHBondContact O-N 3.18Å; Y17-Q21 HydrophobicContact CD1-CB 4.24Å; Y17-Q21 HydrophobicContact CE1-CB 3.68Å; Y17-Q21 HydrophobicContact CE1-CG 4.22Å; Y17-Q21 HydrophobicContact CE2-CB 4.29Å; Y17-Q21 WeakPolarHBondContact O-CB 3.5Å; Y17-Q21 WeakPolarHBondContact O-CG 3.19Å; Y17-Q21 PolarHBondContact O-N 3.33Å; Y17-Q21 PolarHBondContact O-NE2 3.35Å; Y17-Y96 HydrophobicContact CD1-CE2 4.25Å; Y17-H121 AromaticContact CD1-CD2 3.42Å; Y17-H121 VanDerWaalsContact CD1-CD2 3.42Å; Y17-H121 WeakPolarHBondContact CD1-CD2 3.44Å; Y17-H121 AromaticContact CD1-NE2 3.78Å; Y17-H121 AromaticContact CE1-CD2 3.25Å; Y17-H121 WeakPolarHBondContact CE1-CD2 3.36Å; Y17-H121 AromaticContact CE1-NE2 3.19Å; Y17-H121 WeakPolarHBondContact CE1-NE2 3.1Å; Y17-M190 WeakPolarHBondContact CB-SD 3.14Å; Y17-M190 HydrophobicContact CD1-CE 4.24Å; Y17-M190 HydrophobicContact CD1-SD 4.18Å; Y17-M190 HydrophobicContact CD2-SD 4.08Å; Y17-M190 HydrophobicContact CG-CE 4.11Å; Y17-M190 HydrophobicContact CG-SD 3.56Å; Y17-M190 VanDerWaalsContact CG-SD 3.56Å; Y17-H223 PolarHBondContact OH-CD2 3.34Å; Y17-H223 PolarHBondContact OH-NE2 2.8Å; Y17-H223 VanDerWaalsContact OH-NE2 3.07Å; Y17-V226 HydrophobicContact CD2-CG1 4.25Å; Y17-V226 HydrophobicContact CE2-CG1 4.07Å
18	Q	98.5	Very high	98.1	Very high	65 Å²	65	23.7 Å²	23.7	30%	0.304	12%	0.121	S	C	.	.	H	α-helix	trans	-54.8	-47.3	171.9	-169.7	176.6	10.5	0	0	111.3	V14 E15 E16 L22 Y96 M238	V14-Q18 PolarHBondContact O-N 3.02Å; V14-Q18 VanDerWaalsContact O-N 3.16Å; E15-Q18 WeakPolarHBondContact O-CB 3.06Å; E15-Q18 PolarHBondContact O-N 3.13Å; E16-Q18 VanDerWaalsContact C-N 3.29Å; E16-Q18 PolarHBondContact O-N 2.93Å; Q18-L22 VanDerWaalsContact O-CD1 3.29Å; Q18-L22 WeakPolarHBondContact O-CD1 3.22Å; Q18-L22 WeakPolarHBondContact O-CG 3.36Å; Q18-Y96 HydrophobicContact CB-CD1 3.76Å; Q18-Y96 HydrophobicContact CB-CD2 4.38Å; Q18-Y96 HydrophobicContact CB-CE1 3.62Å; Q18-Y96 HydrophobicContact CB-CE2 4.27Å; Q18-Y96 HydrophobicContact CB-CG 4.15Å; Q18-Y96 HydrophobicContact CG-CD1 3.62Å; Q18-Y96 HydrophobicContact CG-CD2 4.16Å; Q18-Y96 HydrophobicContact CG-CE1 4.04Å; Q18-Y96 HydrophobicContact CG-CG 3.69Å; Q18-M238 HydrophobicContact CG-SD 4.06Å
19	V	98.7	Very high	97.9	Very high	18 Å²	18	24.1 Å²	24.1	11%	0.109	12%	0.123	C	C	.	.	H	α-helix	trans	-73.5	-48.5	178	176.4	0	0	0	0	110.5	E16 Y17 Q21 L22 W23 L236 M238 I241	E16-V19 PolarHBondContact O-N 3.04Å; Y17-V19 VanDerWaalsContact C-N 3.29Å; Y17-V19 PolarHBondContact O-N 3.23Å; V19-Q21 VanDerWaalsContact C-N 3.34Å; V19-Q21 PolarHBondContact O-N 2.79Å; V19-L22 PolarHBondContact O-N 3.24Å; V19-W23 PolarHBondContact O-N 3.13Å; V19-W23 VanDerWaalsContact O-N 3.1Å; V19-L236 HydrophobicContact CG1-CB 3.87Å; V19-M238 HydrophobicContact CG2-SD 4.15Å; V19-I241 HydrophobicContact CG1-CD1 3.88Å; V19-I241 HydrophobicContact CG1-CG1 3.91Å
20	A	98.7	Very high	97.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-43.7	-173.5	0	0	0	0	0	112.9	E16 Y17 L22 S24 V226 W233	E16-A20 WeakPolarHBondContact O-CB 3.4Å; E16-A20 PolarHBondContact O-N 3.34Å; Y17-A20 PolarHBondContact O-N 3.18Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 2.71Å; A20-S24 VanDerWaalsContact O-CB 3.25Å; A20-S24 WeakPolarHBondContact O-CB 3.45Å; A20-S24 PolarHBondContact O-N 3.1Å; A20-S24 PolarHBondContact O-OG 3.35Å; A20-V226 HydrophobicContact CB-CG1 3.87Å; A20-W233 HydrophobicContact CB-CD2 3.47Å; A20-W233 VanDerWaalsContact CB-CD2 3.47Å; A20-W233 HydrophobicContact CB-CE3 3.68Å; A20-W233 HydrophobicContact CB-CG 4.15Å; A20-W233 HydrophobicContact CB-CH2 3.8Å; A20-W233 HydrophobicContact CB-CZ2 3.53Å; A20-W233 HydrophobicContact CB-CZ3 3.85Å
21	Q	98.5	Very high	97.4	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-178.2	79.1	-177.9	-85.1	0	0	111.5	Y17 V19 S24 V25 F222	Y17-Q21 HydrophobicContact CD1-CB 4.24Å; Y17-Q21 HydrophobicContact CE1-CB 3.68Å; Y17-Q21 HydrophobicContact CE1-CG 4.22Å; Y17-Q21 HydrophobicContact CE2-CB 4.29Å; Y17-Q21 WeakPolarHBondContact O-CB 3.5Å; Y17-Q21 WeakPolarHBondContact O-CG 3.19Å; Y17-Q21 PolarHBondContact O-N 3.33Å; Y17-Q21 PolarHBondContact O-NE2 3.35Å; V19-Q21 VanDerWaalsContact C-N 3.34Å; V19-Q21 PolarHBondContact O-N 2.79Å; Q21-S24 PolarHBondContact O-N 3.19Å; Q21-V25 WeakPolarHBondContact O-CB 3.21Å; Q21-V25 VanDerWaalsContact O-CG2 3.24Å; Q21-V25 WeakPolarHBondContact O-CG2 3.2Å; Q21-V25 PolarHBondContact O-N 2.86Å; Q21-F222 HydrophobicContact CB-CZ 4.3Å
22	L	98.5	Very high	97	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-73.8	-44.4	-174	-66.5	170.6	0	0	0	110.6	Q18 V19 A20 S24 V25 A26 M238 I241	Q18-L22 VanDerWaalsContact O-CD1 3.29Å; Q18-L22 WeakPolarHBondContact O-CD1 3.22Å; Q18-L22 WeakPolarHBondContact O-CG 3.36Å; V19-L22 PolarHBondContact O-N 3.24Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 2.71Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 3Å; L22-V25 PolarHBondContact O-N 3.25Å; L22-A26 PolarHBondContact O-N 2.73Å; L22-M238 HydrophobicContact CD1-CE 3.58Å; L22-M238 HydrophobicContact CD1-SD 4.11Å; L22-I241 HydrophobicContact CB-CG2 3.51Å; L22-I241 HydrophobicContact CD1-CG2 3.82Å; L22-I241 HydrophobicContact CG-CG2 4.29Å
23	W	98.6	Very high	96.8	Very high	29 Å²	29	32.9 Å²	32.9	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-57.6	-46.7	172.4	-170.2	92	0	0	0	111.5	V19 V25 A26 E27 W229 N232 W233 L236 I241	V19-W23 PolarHBondContact O-N 3.13Å; V19-W23 VanDerWaalsContact O-N 3.1Å; W23-V25 PolarHBondContact O-N 2.84Å; W23-A26 WeakPolarHBondContact O-CB 2.73Å; W23-A26 PolarHBondContact O-N 3.15Å; W23-A26 VanDerWaalsContact O-N 3.15Å; W23-E27 HydrophobicContact CD2-CG 4.1Å; W23-E27 HydrophobicContact CE3-CG 3.95Å; W23-E27 HydrophobicContact CH2-CB 4.37Å; W23-E27 HydrophobicContact CH2-CG 3.46Å; W23-E27 VanDerWaalsContact CH2-CG 3.46Å; W23-E27 HydrophobicContact CZ2-CG 3.59Å; W23-E27 HydrophobicContact CZ3-CB 4.17Å; W23-E27 HydrophobicContact CZ3-CG 3.64Å; W23-E27 PolarHBondContact O-N 2.83Å; W23-W229 HydrophobicContact CE3-CB 4.33Å; W23-W229 HydrophobicContact CE3-CE3 4.04Å; W23-W229 HydrophobicContact CH2-CB 4.25Å; W23-W229 HydrophobicContact CH2-CD2 4.46Å; W23-W229 HydrophobicContact CH2-CE3 4.49Å; W23-W229 HydrophobicContact CH2-CG 4.4Å; W23-W229 HydrophobicContact CZ3-CB 3.55Å; W23-W229 AromaticContact CZ3-CD2 3.7Å; W23-W229 HydrophobicContact CZ3-CD2 3.7Å; W23-W229 AromaticContact CZ3-CE3 3.44Å; W23-W229 HydrophobicContact CZ3-CE3 3.44Å; W23-W229 VanDerWaalsContact CZ3-CE3 3.44Å; W23-W229 AromaticContact CZ3-CG 3.8Å; W23-W229 HydrophobicContact CZ3-CG 3.8Å; W23-W229 HydrophobicContact CZ3-CZ3 4.3Å; W23-N232 HydrophobicContact CH2-CB 3.26Å; W23-N232 HydrophobicContact CZ2-CB 3.35Å; W23-N232 HydrophobicContact CZ3-CB 3.95Å; W23-W233 HydrophobicContact CB-CB 3.74Å; W23-W233 HydrophobicContact CD2-CB 3.8Å; W23-W233 HydrophobicContact CE3-CB 4.14Å; W23-W233 AromaticContact CE3-CD1 3.85Å; W23-W233 HydrophobicContact CE3-CG 4.41Å; W23-W233 HydrophobicContact CG-CB 3.6Å; W23-L236 VanDerWaalsContact CD1-CD1 3.41Å; W23-L236 HydrophobicContact CG-CD1 4.3Å; W23-I241 HydrophobicContact CB-CD1 3.72Å; W23-I241 HydrophobicContact CG-CD1 4.37Å
24	S	98.1	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.9	-34.3	-177.8	-55.1	0	0	0	0	112.4	A20 Q21 L22 A26 L28 V226	A20-S24 VanDerWaalsContact O-CB 3.25Å; A20-S24 WeakPolarHBondContact O-CB 3.45Å; A20-S24 PolarHBondContact O-N 3.1Å; A20-S24 PolarHBondContact O-OG 3.35Å; Q21-S24 PolarHBondContact O-N 3.19Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 3Å; S24-A26 VanDerWaalsContact C-N 3.34Å; S24-L28 WeakPolarHBondContact O-CB 3.29Å; S24-L28 WeakPolarHBondContact O-CG 3.36Å; S24-L28 PolarHBondContact O-N 3.17Å; S24-V226 WeakPolarHBondContact OG-CG2 3.29Å
25	V	97.2	Very high	96.2	Very high	47 Å²	47	31.5 Å²	31.5	29%	0.285	16%	0.156	S	C	.	.	H	α-helix	trans	-61.4	-43.8	170.9	165.1	0	0	0	0	110.6	Q21 L22 W23 S29 F222	Q21-V25 WeakPolarHBondContact O-CB 3.21Å; Q21-V25 VanDerWaalsContact O-CG2 3.24Å; Q21-V25 WeakPolarHBondContact O-CG2 3.2Å; Q21-V25 PolarHBondContact O-N 2.86Å; L22-V25 PolarHBondContact O-N 3.25Å; W23-V25 PolarHBondContact O-N 2.84Å; V25-S29 WeakPolarHBondContact O-CB 3.06Å; V25-S29 PolarHBondContact O-N 2.68Å; V25-S29 PolarHBondContact O-OG 3.38Å; V25-F222 HydrophobicContact CB-CE2 4.49Å; V25-F222 HydrophobicContact CG2-CE2 3.56Å; V25-F222 HydrophobicContact CG2-CZ 3.81Å
26	A	97.5	Very high	95.8	Very high	6 Å²	6	27.2 Å²	27.2	5%	0.05	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-48.4	178.6	0	0	0	0	0	111.6	L22 W23 S24 S29 K30 I244 T248	L22-A26 PolarHBondContact O-N 2.73Å; W23-A26 WeakPolarHBondContact O-CB 2.73Å; W23-A26 PolarHBondContact O-N 3.15Å; W23-A26 VanDerWaalsContact O-N 3.15Å; S24-A26 VanDerWaalsContact C-N 3.34Å; A26-S29 WeakPolarHBondContact O-CB 3.47Å; A26-S29 PolarHBondContact O-N 3.42Å; A26-K30 PolarHBondContact O-N 3.28Å; A26-I244 HydrophobicContact CB-CG2 3.97Å; A26-T248 HydrophobicContact CB-CG2 4.11Å
27	E	96.6	Very high	95.5	Very high	47 Å²	47	26.7 Å²	26.7	22%	0.22	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-42	-179.7	-72.2	-57.8	122.4	0	0	113.6	W23 S29 K30 R31 W229	W23-E27 HydrophobicContact CD2-CG 4.1Å; W23-E27 HydrophobicContact CE3-CG 3.95Å; W23-E27 HydrophobicContact CH2-CB 4.37Å; W23-E27 HydrophobicContact CH2-CG 3.46Å; W23-E27 VanDerWaalsContact CH2-CG 3.46Å; W23-E27 HydrophobicContact CZ2-CG 3.59Å; W23-E27 HydrophobicContact CZ3-CB 4.17Å; W23-E27 HydrophobicContact CZ3-CG 3.64Å; W23-E27 PolarHBondContact O-N 2.83Å; E27-S29 PolarHBondContact O-N 3.11Å; E27-K30 PolarHBondContact O-N 3.31Å; E27-K30 IonicContact OE1-NZ 3.78Å; E27-K30 PolarHBondContact OE1-NZ 3.39Å; E27-R31 PolarHBondContact O-N 3.11Å; E27-R31 VanDerWaalsContact O-N 3.15Å; E27-W229 HydrophobicContact CB-CE3 4.4Å; E27-W229 HydrophobicContact CB-CH2 4.13Å; E27-W229 HydrophobicContact CB-CZ3 3.8Å
28	L	92.9	Very high	95.3	Very high	25 Å²	25	26.9 Å²	26.9	13%	0.131	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-34.7	173	-78.7	169.1	0	0	0	111.4	S24 K30 R31 E32 F222 E225 W229	S24-L28 WeakPolarHBondContact O-CB 3.29Å; S24-L28 WeakPolarHBondContact O-CG 3.36Å; S24-L28 PolarHBondContact O-N 3.17Å; L28-K30 VanDerWaalsContact C-N 3.27Å; L28-K30 PolarHBondContact O-N 2.86Å; L28-R31 PolarHBondContact O-N 3.26Å; L28-E32 WeakPolarHBondContact O-CB 3.08Å; L28-E32 VanDerWaalsContact O-CG 3.3Å; L28-E32 WeakPolarHBondContact O-CG 3.32Å; L28-E32 PolarHBondContact O-N 3.44Å; L28-F222 HydrophobicContact CD1-CB 4.42Å; L28-F222 HydrophobicContact CD1-CD2 3.32Å; L28-F222 HydrophobicContact CD1-CE2 3.9Å; L28-F222 HydrophobicContact CD1-CG 4.27Å; L28-E225 HydrophobicContact CD2-CG 4.44Å; L28-W229 HydrophobicContact CD1-CH2 4.43Å; L28-W229 HydrophobicContact CD1-CZ3 4.39Å; L28-W229 HydrophobicContact CD2-CH2 3.68Å; L28-W229 HydrophobicContact CD2-CZ3 4.4Å; L28-W229 HydrophobicContact CG-CH2 3.58Å; L28-W229 HydrophobicContact CG-CZ3 3.82Å
29	S	94.7	Very high	95.1	Very high	8 Å²	8	24.4 Å²	24.4	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-40.7	177.9	-58.3	0	0	0	0	111.7	V25 A26 E27 E32 T33 I39 L252	V25-S29 WeakPolarHBondContact O-CB 3.06Å; V25-S29 PolarHBondContact O-N 2.68Å; V25-S29 PolarHBondContact O-OG 3.38Å; A26-S29 WeakPolarHBondContact O-CB 3.47Å; A26-S29 PolarHBondContact O-N 3.42Å; E27-S29 PolarHBondContact O-N 3.11Å; S29-E32 PolarHBondContact O-N 2.84Å; S29-T33 VanDerWaalsContact O-CB 3.29Å; S29-T33 WeakPolarHBondContact O-CB 3.27Å; S29-T33 PolarHBondContact O-N 3.19Å; S29-T33 PolarHBondContact O-OG1 2.8Å; S29-I39 WeakPolarHBondContact OG-CD1 3.24Å; S29-L252 VanDerWaalsContact C-CD2 3.5Å; S29-L252 VanDerWaalsContact O-CD2 3.29Å; S29-L252 WeakPolarHBondContact O-CD2 3.1Å
30	K	94.7	Very high	95	Very high	36 Å²	36	25.4 Å²	25.4	16%	0.157	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-40.2	176.2	-62	170.8	-171.7	174.2	0	111.9	A26 E27 L28 E32 T248 E251 L252 Q255	A26-K30 PolarHBondContact O-N 3.28Å; E27-K30 PolarHBondContact O-N 3.31Å; E27-K30 IonicContact OE1-NZ 3.78Å; E27-K30 PolarHBondContact OE1-NZ 3.39Å; L28-K30 VanDerWaalsContact C-N 3.27Å; L28-K30 PolarHBondContact O-N 2.86Å; K30-E32 VanDerWaalsContact C-N 3.31Å; K30-E32 PolarHBondContact O-N 3.28Å; K30-T248 WeakPolarHBondContact CE-OG1 3.35Å; K30-T248 HydrophobicContact CG-CG2 4.14Å; K30-E251 WeakPolarHBondContact CD-OE2 3.38Å; K30-E251 WeakPolarHBondContact CE-OE2 3.39Å; K30-E251 IonicContact NZ-OE2 3Å; K30-L252 HydrophobicContact CG-CD2 4.33Å; K30-Q255 PolarHBondContact O-OE1 2.86Å
31	R	91.8	Very high	95	Very high	112 Å²	112	26.2 Å²	26.2	42%	0.423	14%	0.143	S	C	.	.	H	α-helix	trans	-67.6	-31.2	177.8	-68.3	-174.7	-175.8	-171.3	7.9	113.1	E27 L28 E225 W229 R262 G263	E27-R31 PolarHBondContact O-N 3.11Å; E27-R31 VanDerWaalsContact O-N 3.15Å; L28-R31 PolarHBondContact O-N 3.26Å; R31-E225 IonicContact NH1-OE1 3.64Å; R31-E225 PolarHBondContact NH1-OE1 3.32Å; R31-E225 VanDerWaalsContact NH1-OE1 3.14Å; R31-W229 VanDerWaalsContact NH1-CZ2 3.31Å; R31-R262 VanDerWaalsContact O-CB 3.25Å; R31-R262 WeakPolarHBondContact O-CB 3.25Å; R31-G263 PolarHBondContact O-N 2.73Å
32	E	90.3	Very high	94.9	Very high	41 Å²	41	28.7 Å²	28.7	19%	0.192	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-2	-176.8	-68.3	-61.3	138	0	0	114.3	L28 S29 K30 G38 K72 G263 M264	L28-E32 WeakPolarHBondContact O-CB 3.08Å; L28-E32 VanDerWaalsContact O-CG 3.3Å; L28-E32 WeakPolarHBondContact O-CG 3.32Å; L28-E32 PolarHBondContact O-N 3.44Å; S29-E32 PolarHBondContact O-N 2.84Å; K30-E32 VanDerWaalsContact C-N 3.31Å; K30-E32 PolarHBondContact O-N 3.28Å; E32-G38 WeakPolarHBondContact O-CA 3.32Å; E32-K72 IonicContact OE2-NZ 2.8Å; E32-K72 PolarHBondContact OE2-NZ 2.82Å; E32-G263 VanDerWaalsContact CD-CA 3.47Å; E32-G263 WeakPolarHBondContact OE1-CA 3.11Å; E32-G263 WeakPolarHBondContact OE2-CA 3.44Å; E32-M264 VanDerWaalsContact CD-N 3.31Å; E32-M264 PolarHBondContact OE1-N 2.87Å; E32-M264 PolarHBondContact OE2-N 3.19Å
33	T	93.7	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.			trans	-115	130.4	-172.9	-56.9	0	0	0	0	112.6	S29 E37 I39 L252 Q255 R256 R262	S29-T33 VanDerWaalsContact O-CB 3.29Å; S29-T33 WeakPolarHBondContact O-CB 3.27Å; S29-T33 PolarHBondContact O-N 3.19Å; S29-T33 PolarHBondContact O-OG1 2.8Å; T33-E37 WeakPolarHBondContact CA-O 3.18Å; T33-I39 PolarHBondContact OG1-N 2.74Å; T33-L252 HydrophobicContact CG2-CD2 4.02Å; T33-L252 WeakPolarHBondContact OG1-CD2 3.2Å; T33-Q255 HydrophobicContact CG2-CB 4.32Å; T33-R256 HydrophobicContact CG2-CB 3.76Å; T33-R256 HydrophobicContact CG2-CG 4.39Å; T33-R262 WeakPolarHBondContact O-CD 3.33Å
34	G	94.1	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	167.6	154.9	179.7	0	0	0	0	0	112.8	G36 E37 Q255 E260 V261	G34-G36 VanDerWaalsContact C-N 3.31Å; G34-G36 PolarHBondContact O-N 2.73Å; G34-E37 PolarHBondContact N-O 3.25Å; G34-E37 PolarHBondContact O-N 3.16Å; G34-Q255 WeakPolarHBondContact CA-O 3.37Å; G34-E260 CarbonylContact C-O 3.16Å; G34-E260 VanDerWaalsContact C-O 3.23Å; G34-E260 WeakPolarHBondContact CA-O 3.21Å; G34-V261 WeakPolarHBondContact O-CA 3.24Å
35	G	91.3	Very high	94.8	Very high	30 Å²	30	36.2 Å²	36.2	31%	0.309	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	32.7	168.1	0	0	0	0	0	115.7	E258 G259 E260	G35-E258 PolarHBondContact N-O 3.22Å; G35-G259 VanDerWaalsContact CA-O 3.32Å; G35-G259 WeakPolarHBondContact CA-O 3.26Å; G35-E260 PolarHBondContact N-O 3.34Å
36	G	90.7	Very high	94.8	Very high	39 Å²	39	38.7 Å²	38.7	40%	0.402	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-7.9	-178.2	0	0	0	0	0	114.8	G34 R256	G34-G36 VanDerWaalsContact C-N 3.31Å; G34-G36 PolarHBondContact O-N 2.73Å; G36-R256 WeakPolarHBondContact CA-O 3.48Å; G36-R256 PolarHBondContact N-O 3.43Å
37	E	92.6	Very high	94.8	Very high	21 Å²	21	39.6 Å²	39.6	10%	0.098	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-118.6	165.4	-177.1	-68.5	-168.9	-157.1	0	0	112.2	T33 G34 H68 S70 S71 V261	T33-E37 WeakPolarHBondContact CA-O 3.18Å; G34-E37 PolarHBondContact N-O 3.25Å; G34-E37 PolarHBondContact O-N 3.16Å; E37-H68 WeakPolarHBondContact CB-O 3.38Å; E37-S70 WeakPolarHBondContact OE1-CB 3.5Å; E37-S70 PolarHBondContact OE2-N 3.21Å; E37-S71 VanDerWaalsContact CD-N 3.27Å; E37-S71 WeakPolarHBondContact OE1-CB 3.13Å; E37-S71 PolarHBondContact OE1-N 2.84Å; E37-S71 PolarHBondContact OE1-OG 2.99Å; E37-S71 WeakPolarHBondContact OE2-CB 3.39Å; E37-S71 PolarHBondContact OE2-N 3.03Å; E37-S71 PolarHBondContact OE2-OG 3.15Å; E37-V261 HydrophobicContact CB-CG1 4.36Å; E37-V261 HydrophobicContact CB-CG2 4.42Å; E37-V261 HydrophobicContact CG-CG2 4.36Å
38	G	93	Very high	94.8	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.1	-146.1	-179.1	0	0	0	0	0	113.6	E32 H68	E32-G38 WeakPolarHBondContact O-CA 3.32Å; G38-H68 PolarHBondContact N-O 3.42Å; G38-H68 PolarHBondContact O-N 2.93Å
39	I	95.5	Very high	94.8	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.1	-165.2	-67.9	153.6	0	0	0	110.9	S29 T33 V41 K65 Y67 L252	S29-I39 WeakPolarHBondContact OG-CD1 3.24Å; T33-I39 PolarHBondContact OG1-N 2.74Å; I39-V41 HydrophobicContact CG2-CG2 4.07Å; I39-K65 HydrophobicContact CG2-CD 4.2Å; I39-Y67 HydrophobicContact CD1-CD1 4.18Å; I39-Y67 HydrophobicContact CD1-CE1 3.8Å; I39-Y67 HydrophobicContact CG1-CD1 3.44Å; I39-Y67 VanDerWaalsContact CG1-CD1 3.44Å; I39-Y67 HydrophobicContact CG1-CE1 3.47Å; I39-Y67 VanDerWaalsContact CG1-CE1 3.47Å; I39-L252 HydrophobicContact CB-CD1 4.4Å; I39-L252 HydrophobicContact CG2-CD1 4.14Å
40	E	96.5	Very high	94.7	Very high	39 Å²	39	53 Å²	53	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.1	169.9	174.8	170.6	-157.7	0	0	109.3	L42 K65 I66 H68 R256	E40-L42 HydrophobicContact CG-CD2 3.93Å; E40-K65 CarbonylContact O-C 2.96Å; E40-K65 WeakPolarHBondContact O-CA 3.32Å; E40-I66 HydrophobicContact CB-CB 4.35Å; E40-I66 PolarHBondContact N-O 3.23Å; E40-I66 PolarHBondContact O-N 3.16Å; E40-H68 IonicContact OE2-CD2 3.85Å; E40-H68 IonicContact OE2-CE1 3.76Å; E40-H68 IonicContact OE2-NE2 2.75Å; E40-H68 PolarHBondContact OE2-NE2 2.92Å; E40-R256 IonicContact OE1-NH2 2.97Å; E40-R256 PolarHBondContact OE1-NH2 3.3Å; E40-R256 IonicContact OE2-CZ 3.94Å; E40-R256 IonicContact OE2-NE 2.77Å; E40-R256 IonicContact OE2-NH2 3.53Å; E40-R256 PolarHBondContact OE2-NH2 3.18Å
41	V	97.6	Very high	94.7	Very high	17 Å²	17	54.5 Å²	54.5	10%	0.103	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	100.1	-177.5	-175.5	0	0	0	0	109.7	I39 N44 K65 K249 L252	I39-V41 HydrophobicContact CG2-CG2 4.07Å; V41-N44 HydrophobicContact CG1-CB 4.19Å; V41-K65 HydrophobicContact CG2-CD 4.49Å; V41-K65 HydrophobicContact CG2-CG 4.29Å; V41-K249 HydrophobicContact CB-CB 4.37Å; V41-K249 HydrophobicContact CB-CD 4.21Å; V41-K249 HydrophobicContact CB-CG 4.09Å; V41-K249 HydrophobicContact CG1-CD 4.15Å; V41-K249 HydrophobicContact CG1-CG 4.5Å; V41-K249 WeakPolarHBondContact O-CE 3.37Å; V41-K249 PolarHBondContact O-NZ 3.16Å; V41-L252 HydrophobicContact CG2-CD1 4Å
42	L	97.4	Very high	94.9	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.356	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-50.9	179.6	-59.3	-175.7	0	0	0	111.5	E40 H64 I66 K249	E40-L42 HydrophobicContact CG-CD2 3.93Å; L42-H64 WeakPolarHBondContact CA-O 3.22Å; L42-H64 HydrophobicContact CB-CB 4.47Å; L42-H64 WeakPolarHBondContact CB-O 3.27Å; L42-H64 PolarHBondContact N-O 2.89Å; L42-I66 HydrophobicContact CD1-CD1 3.63Å; L42-I66 HydrophobicContact CD1-CG1 3.86Å; L42-I66 HydrophobicContact CD2-CD1 4.45Å; L42-I66 HydrophobicContact CG-CD1 4.24Å; L42-I66 HydrophobicContact CG-CG1 4.26Å; L42-K249 PolarHBondContact O-NZ 2.85Å; L42-K249 VanDerWaalsContact O-NZ 3.11Å
43	K	97.6	Very high	95.1	Very high	93 Å²	93	48.2 Å²	48.2	40%	0.404	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.9	179.6	-67.4	179.8	156.5	-131.8	0	111	E45 Y62 T63 H64	K43-E45 WeakPolarHBondContact CD-OE1 3.4Å; K43-E45 IonicContact NZ-OE1 3.97Å; K43-E45 PolarHBondContact NZ-OE1 3.12Å; K43-Y62 HydrophobicContact CB-CD1 4.3Å; K43-Y62 HydrophobicContact CB-CE1 4.09Å; K43-Y62 HydrophobicContact CD-CD1 4.36Å; K43-Y62 HydrophobicContact CD-CE1 3.75Å; K43-T63 VanDerWaalsContact O-CA 3.23Å; K43-T63 WeakPolarHBondContact O-CA 3.36Å; K43-T63 WeakPolarHBondContact O-CB 3.22Å; K43-H64 HydrophobicContact CB-CB 3.97Å; K43-H64 HydrophobicContact CD-CB 4.44Å; K43-H64 HydrophobicContact CG-CB 4.39Å; K43-H64 PolarHBondContact N-O 3.27Å; K43-H64 VanDerWaalsContact N-O 3.1Å; K43-H64 PolarHBondContact O-N 3.05Å
44	N	97.3	Very high	95.1	Very high	33 Å²	33	53.4 Å²	53.4	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	95	168	-175.1	10.8	0	0	0	106.8	V41 Q61 Y62 T63 E245	V41-N44 HydrophobicContact CG1-CB 4.19Å; N44-Q61 WeakPolarHBondContact OD1-CG 3.4Å; N44-Q61 PolarHBondContact OD1-NE2 2.88Å; N44-Y62 WeakPolarHBondContact CA-O 3.47Å; N44-T63 HydrophobicContact CB-CG2 4.22Å; N44-T63 WeakPolarHBondContact OD1-CG2 3.36Å; N44-E245 WeakPolarHBondContact ND2-CB 3.47Å; N44-E245 PolarHBondContact ND2-OE2 3.46Å
45	E	97.2	Very high	95	Very high	80 Å²	80	59.5 Å²	59.5	37%	0.374	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.7	-170.3	61.4	-166.4	173.2	0	0	110.5	K43 Q61 Y62	K43-E45 WeakPolarHBondContact CD-OE1 3.4Å; K43-E45 IonicContact NZ-OE1 3.97Å; K43-E45 PolarHBondContact NZ-OE1 3.12Å; E45-Q61 VanDerWaalsContact C-NE2 3.33Å; E45-Y62 HydrophobicContact CG-CD1 4.44Å; E45-Y62 PolarHBondContact N-O 2.68Å; E45-Y62 PolarHBondContact O-N 2.79Å
46	P	97.6	Very high	95.2	Very high	99 Å²	99	62.9 Å²	62.9	64%	0.643	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	152.3	171.4	28.3	-34.8	0	0	0	110.7	G60	P46-G60 CarbonylContact C-O 3.59Å; P46-G60 WeakPolarHBondContact CA-O 3.34Å
47	Y	97.5	Very high	95.5	Very high	25 Å²	25	63.2 Å²	63.2	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.4	170.4	77.9	-88.1	0	0	0	110.9	D50 L52 S59 G60 W93 A95	Y47-D50 HydrophobicContact CD2-CB 3.74Å; Y47-D50 HydrophobicContact CE2-CB 3.89Å; Y47-L52 WeakPolarHBondContact OH-CD1 3.43Å; Y47-S59 VanDerWaalsContact O-CA 3.24Å; Y47-S59 WeakPolarHBondContact O-CA 3.37Å; Y47-S59 VanDerWaalsContact O-CB 3.32Å; Y47-S59 WeakPolarHBondContact O-CB 3.46Å; Y47-G60 VanDerWaalsContact CD1-C 3.41Å; Y47-G60 VanDerWaalsContact CD1-O 3.3Å; Y47-G60 WeakPolarHBondContact CD1-O 3.35Å; Y47-G60 PolarHBondContact N-O 3.08Å; Y47-G60 PolarHBondContact O-N 3.44Å; Y47-G60 VanDerWaalsContact O-N 3.07Å; Y47-W93 HydrophobicContact CE1-CB 4.12Å; Y47-W93 HydrophobicContact CE1-CG 4.47Å; Y47-W93 AromaticContact CZ-CD1 3.89Å; Y47-A95 WeakPolarHBondContact OH-CB 3.12Å
48	E	96.9	Very high	95.6	Very high	153 Å²	153	64.6 Å²	64.6	72%	0.715	34%	0.342	S	S	*	.			trans	-138	163.2	177.9	-63.4	-179.5	176.5	0	0	109	D50 S58	E48-D50 PolarHBondContact O-N 2.95Å; E48-D50 VanDerWaalsContact O-N 3.16Å; E48-S58 CarbonylContact C-O 3.58Å
49	D	93.4	Very high	95.8	Very high	144 Å²	144	67.5 Å²	67.5	77%	0.77	36%	0.362	S	S	*	.	S	Bend	trans	52.8	33	175.6	-58.7	-38.4	0	0	0	115.7	P51 S58	D49-P51 WeakPolarHBondContact O-CD 3.24Å; D49-S58 PolarHBondContact N-O 3.26Å
50	D	92.4	Very high	95.9	Very high	66 Å²	66	68.1 Å²	68.1	35%	0.353	37%	0.371	S	S	.	.			trans	-119	88.3	172.7	-170.6	9.4	0	0	0	109.3	Y47 E48 L52 S58 W93	Y47-D50 HydrophobicContact CD2-CB 3.74Å; Y47-D50 HydrophobicContact CE2-CB 3.89Å; E48-D50 PolarHBondContact O-N 2.95Å; E48-D50 VanDerWaalsContact O-N 3.16Å; D50-L52 PolarHBondContact O-N 3.39Å; D50-S58 PolarHBondContact N-O 2.9Å; D50-W93 PolarHBondContact OD2-NE1 3.43Å
51	P	94.4	Very high	96	Very high	67 Å²	67	67.8 Å²	67.8	44%	0.435	37%	0.369	S	S	.	.			trans	-63.9	131.4	-174.4	-22.5	33.9	0	0	0	113.5	D49 D55 F57	D49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-D55 HydrophobicContact CB-CB 4.2Å; P51-D55 WeakPolarHBondContact CB-OD1 3.48Å; P51-F57 CarbonylContact C-O 3.52Å
52	L	95.2	Very high	96	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.026	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-128	157.4	178.5	-59.1	175.3	0	0	0	109.6	Y47 D50 D55 D56 F57 W93 Y98	Y47-L52 WeakPolarHBondContact OH-CD1 3.43Å; D50-L52 PolarHBondContact O-N 3.39Å; L52-D55 PolarHBondContact O-N 3.37Å; L52-D56 PolarHBondContact O-N 3.14Å; L52-F57 PolarHBondContact N-O 2.7Å; L52-F57 PolarHBondContact O-N 3.29Å; L52-W93 HydrophobicContact CD1-CB 3.5Å; L52-W93 HydrophobicContact CD1-CG 4.05Å; L52-Y98 HydrophobicContact CB-CD1 4.21Å; L52-Y98 HydrophobicContact CB-CE1 3.78Å; L52-Y98 HydrophobicContact CD1-CD1 4.42Å; L52-Y98 HydrophobicContact CD1-CE1 4.12Å; L52-Y98 HydrophobicContact CG-CE1 4.5Å
53	F	95.7	Very high	96.1	Very high	16 Å²	16	65.9 Å²	65.9	7%	0.07	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	66.5	175.7	-166.3	-107.6	0	0	0	112.8	D55 D56 F57 Y98 M120 V131 Q133	F53-D55 VanDerWaalsContact C-N 3.26Å; F53-D55 PolarHBondContact O-N 3.1Å; F53-D56 HydrophobicContact CD1-CB 4.17Å; F53-D56 WeakPolarHBondContact O-CB 3.26Å; F53-D56 PolarHBondContact O-N 2.86Å; F53-F57 HydrophobicContact CB-CD2 3.86Å; F53-F57 HydrophobicContact CB-CE2 4.25Å; F53-F57 HydrophobicContact CD1-CD2 4.08Å; F53-F57 AromaticContact CD1-CE2 3.65Å; F53-F57 HydrophobicContact CD1-CE2 3.65Å; F53-F57 HydrophobicContact CE1-CE2 4.39Å; F53-F57 HydrophobicContact CG-CD2 4.35Å; F53-F57 HydrophobicContact CG-CE2 4.24Å; F53-Y98 HydrophobicContact CB-CD1 4.23Å; F53-Y98 HydrophobicContact CB-CD2 4.14Å; F53-Y98 HydrophobicContact CB-CE1 4.14Å; F53-Y98 HydrophobicContact CB-CE2 4.01Å; F53-Y98 HydrophobicContact CB-CG 4.22Å; F53-Y98 AromaticContact CD2-CD2 4Å; F53-Y98 HydrophobicContact CD2-CD2 4Å; F53-Y98 AromaticContact CD2-CE2 3.68Å; F53-Y98 HydrophobicContact CD2-CE2 3.68Å; F53-Y98 HydrophobicContact CE2-CE2 4.49Å; F53-Y98 HydrophobicContact CG-CD2 4.09Å; F53-Y98 HydrophobicContact CG-CE2 4.07Å; F53-M120 HydrophobicContact CD1-CE 3.97Å; F53-M120 HydrophobicContact CD2-CE 4.43Å; F53-M120 HydrophobicContact CE1-CE 3.58Å; F53-M120 HydrophobicContact CE2-CE 4.1Å; F53-M120 HydrophobicContact CG-CE 4.37Å; F53-M120 HydrophobicContact CZ-CE 3.65Å; F53-V131 VanDerWaalsContact CZ-O 3.25Å; F53-V131 WeakPolarHBondContact CZ-O 3.44Å; F53-Q133 HydrophobicContact CE1-CG 4.49Å; F53-Q133 VanDerWaalsContact CE1-NE2 3.3Å; F53-Q133 HydrophobicContact CE2-CG 4.44Å; F53-Q133 HydrophobicContact CZ-CB 4.42Å; F53-Q133 HydrophobicContact CZ-CG 3.81Å
54	N	92.4	Very high	96.1	Very high	108 Å²	108	62.8 Å²	62.8	58%	0.578	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	35.6	-179.7	-55.3	-34.3	0	0	0	114.3	D56 Q133	N54-D56 PolarHBondContact O-N 2.84Å; N54-Q133 PolarHBondContact ND2-OE1 2.66Å
55	D	93.6	Very high	96.2	Very high	128 Å²	128	62.4 Å²	62.4	68%	0.684	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	7.7	-179.5	-48.7	-34.5	0	0	0	115.4	P51 L52 F53 F57	P51-D55 HydrophobicContact CB-CB 4.2Å; P51-D55 WeakPolarHBondContact CB-OD1 3.48Å; L52-D55 PolarHBondContact O-N 3.37Å; F53-D55 VanDerWaalsContact C-N 3.26Å; F53-D55 PolarHBondContact O-N 3.1Å; D55-F57 VanDerWaalsContact C-N 3.28Å; D55-F57 PolarHBondContact O-N 3.28Å
56	D	95.2	Very high	96.1	Very high	101 Å²	101	59.3 Å²	59.3	54%	0.54	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.7	178.4	-70	-24.7	0	0	0	112.7	L52 F53 N54	L52-D56 PolarHBondContact O-N 3.14Å; F53-D56 HydrophobicContact CD1-CB 4.17Å; F53-D56 WeakPolarHBondContact O-CB 3.26Å; F53-D56 PolarHBondContact O-N 2.86Å; N54-D56 PolarHBondContact O-N 2.84Å
57	F	96.2	Very high	96	Very high	47 Å²	47	57.3 Å²	57.3	21%	0.206	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-133.4	125.7	179.2	-54.4	-80.3	0	0	0	111.6	P51 L52 F53 D55 A95 P97 Y98 M120	P51-F57 CarbonylContact C-O 3.52Å; L52-F57 PolarHBondContact N-O 2.7Å; L52-F57 PolarHBondContact O-N 3.29Å; F53-F57 HydrophobicContact CB-CD2 3.86Å; F53-F57 HydrophobicContact CB-CE2 4.25Å; F53-F57 HydrophobicContact CD1-CD2 4.08Å; F53-F57 AromaticContact CD1-CE2 3.65Å; F53-F57 HydrophobicContact CD1-CE2 3.65Å; F53-F57 HydrophobicContact CE1-CE2 4.39Å; F53-F57 HydrophobicContact CG-CD2 4.35Å; F53-F57 HydrophobicContact CG-CE2 4.24Å; D55-F57 VanDerWaalsContact C-N 3.28Å; D55-F57 PolarHBondContact O-N 3.28Å; F57-A95 HydrophobicContact CB-CB 3.67Å; F57-A95 HydrophobicContact CD1-CB 4.46Å; F57-A95 HydrophobicContact CG-CB 4.23Å; F57-P97 HydrophobicContact CE1-CG 4.45Å; F57-P97 HydrophobicContact CZ-CG 4.43Å; F57-Y98 HydrophobicContact CD2-CD1 4.23Å; F57-Y98 HydrophobicContact CD2-CG 4.03Å; F57-Y98 VanDerWaalsContact CE2-CB 3.49Å; F57-Y98 HydrophobicContact CE2-CG 4.18Å; F57-M120 HydrophobicContact CE2-CE 4.1Å; F57-M120 HydrophobicContact CZ-CE 4.47Å
58	S	95.6	Very high	95.8	Very high	50 Å²	50	57.5 Å²	57.5	35%	0.35	31%	0.309	S	S	.	.			trans	-125.1	-5	-174.7	59.5	0	0	0	0	115.3	E48 D49 D50	E48-S58 CarbonylContact C-O 3.58Å; D49-S58 PolarHBondContact N-O 3.26Å; D50-S58 PolarHBondContact N-O 2.9Å
59	S	97.7	Very high	95.5	Very high	66 Å²	66	51.7 Å²	51.7	46%	0.462	28%	0.283	S	S	.	.			trans	-143.1	159.6	-177.5	57.4	0	0	0	0	111.2	Y47 A95	Y47-S59 VanDerWaalsContact O-CA 3.24Å; Y47-S59 WeakPolarHBondContact O-CA 3.37Å; Y47-S59 VanDerWaalsContact O-CB 3.32Å; Y47-S59 WeakPolarHBondContact O-CB 3.46Å; S59-A95 WeakPolarHBondContact O-CB 3.42Å
60	G	97.2	Very high	95.1	Very high	25 Å²	25	47 Å²	47	26%	0.258	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-151.9	-178.9	0	0	0	0	0	112.1	P46 Y47 N94	P46-G60 CarbonylContact C-O 3.59Å; P46-G60 WeakPolarHBondContact CA-O 3.34Å; Y47-G60 VanDerWaalsContact CD1-C 3.41Å; Y47-G60 VanDerWaalsContact CD1-O 3.3Å; Y47-G60 WeakPolarHBondContact CD1-O 3.35Å; Y47-G60 PolarHBondContact N-O 3.08Å; Y47-G60 PolarHBondContact O-N 3.44Å; Y47-G60 VanDerWaalsContact O-N 3.07Å; G60-N94 CarbonylContact C-O 3.57Å; G60-N94 VanDerWaalsContact CA-O 3.28Å; G60-N94 WeakPolarHBondContact CA-O 3.39Å
61	Q	98.1	Very high	94.8	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.9	174.4	-166.1	77.4	5.4	0	0	110.9	N44 E45 N94 R242	N44-Q61 WeakPolarHBondContact OD1-CG 3.4Å; N44-Q61 PolarHBondContact OD1-NE2 2.88Å; E45-Q61 VanDerWaalsContact C-NE2 3.33Å; Q61-N94 HydrophobicContact CB-CB 4.48Å; Q61-N94 PolarHBondContact N-O 3.43Å; Q61-N94 PolarHBondContact O-N 3.47Å; Q61-R242 VanDerWaalsContact NE2-NH1 3.14Å
62	Y	98.3	Very high	94.2	Very high	27 Å²	27	43.4 Å²	43.4	11%	0.106	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.3	173	175.2	-98.8	0	0	0	110.2	K43 N44 E45 H64 K91 A92 W93	K43-Y62 HydrophobicContact CB-CD1 4.3Å; K43-Y62 HydrophobicContact CB-CE1 4.09Å; K43-Y62 HydrophobicContact CD-CD1 4.36Å; K43-Y62 HydrophobicContact CD-CE1 3.75Å; N44-Y62 WeakPolarHBondContact CA-O 3.47Å; E45-Y62 HydrophobicContact CG-CD1 4.44Å; E45-Y62 PolarHBondContact N-O 2.68Å; E45-Y62 PolarHBondContact O-N 2.79Å; Y62-H64 HydrophobicContact CE1-CB 3.96Å; Y62-K91 HydrophobicContact CE2-CB 4.11Å; Y62-K91 WeakPolarHBondContact OH-CD 3.49Å; Y62-K91 WeakPolarHBondContact OH-CG 3.44Å; Y62-A92 CarbonylContact C-O 3.55Å; Y62-A92 WeakPolarHBondContact CA-O 3.24Å; Y62-W93 HydrophobicContact CD2-CD2 4.1Å; Y62-W93 AromaticContact CD2-CE2 3.85Å; Y62-W93 HydrophobicContact CD2-CG 4.22Å; Y62-W93 HydrophobicContact CD2-CZ2 4.35Å; Y62-W93 AromaticContact CD2-NE1 3.86Å; Y62-W93 HydrophobicContact CE2-CD2 4.27Å; Y62-W93 AromaticContact CE2-CE2 3.83Å; Y62-W93 HydrophobicContact CE2-CH2 4.29Å; Y62-W93 AromaticContact CE2-CZ2 3.85Å; Y62-W93 HydrophobicContact CE2-CZ2 3.85Å
63	T	98.4	Very high	93.6	Very high	18 Å²	18	43.7 Å²	43.7	11%	0.11	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.8	168.6	66.7	0	0	0	0	111.4	K43 N44 K91 A92	K43-T63 VanDerWaalsContact O-CA 3.23Å; K43-T63 WeakPolarHBondContact O-CA 3.36Å; K43-T63 WeakPolarHBondContact O-CB 3.22Å; N44-T63 HydrophobicContact CB-CG2 4.22Å; N44-T63 WeakPolarHBondContact OD1-CG2 3.36Å; T63-K91 WeakPolarHBondContact O-CA 3.41Å; T63-A92 PolarHBondContact N-O 3.35Å; T63-A92 PolarHBondContact O-N 3.45Å
64	H	98.4	Very high	92.8	Very high	28 Å²	28	43.4 Å²	43.4	13%	0.13	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.5	167.2	-176	-173	0	0	0	108	L42 K43 Y62 H89 E90	L42-H64 WeakPolarHBondContact CA-O 3.22Å; L42-H64 HydrophobicContact CB-CB 4.47Å; L42-H64 WeakPolarHBondContact CB-O 3.27Å; L42-H64 PolarHBondContact N-O 2.89Å; K43-H64 HydrophobicContact CB-CB 3.97Å; K43-H64 HydrophobicContact CD-CB 4.44Å; K43-H64 HydrophobicContact CG-CB 4.39Å; K43-H64 PolarHBondContact N-O 3.27Å; K43-H64 VanDerWaalsContact N-O 3.1Å; K43-H64 PolarHBondContact O-N 3.05Å; Y62-H64 HydrophobicContact CE1-CB 3.96Å; H64-H89 AromaticContact CE1-ND1 3.74Å; H64-H89 AromaticContact NE2-CG 3.87Å; H64-H89 AromaticContact NE2-ND1 3.18Å; H64-H89 PolarHBondContact NE2-ND1 3.06Å; H64-H89 VanDerWaalsContact NE2-ND1 3.18Å; H64-E90 CarbonylContact C-O 3.54Å; H64-E90 VanDerWaalsContact CA-O 3.29Å; H64-E90 WeakPolarHBondContact CA-O 3.26Å; H64-E90 PolarHBondContact CD2-O 3.15Å
65	K	98.2	Very high	92.2	Very high	25 Å²	25	45 Å²	45	11%	0.109	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.9	179.3	-55.8	177.6	-168	164.5	0	111	I39 E40 V41 E90	I39-K65 HydrophobicContact CG2-CD 4.2Å; E40-K65 CarbonylContact O-C 2.96Å; E40-K65 WeakPolarHBondContact O-CA 3.32Å; V41-K65 HydrophobicContact CG2-CD 4.49Å; V41-K65 HydrophobicContact CG2-CG 4.29Å; K65-E90 HydrophobicContact CB-CB 4.45Å; K65-E90 PolarHBondContact N-O 3.07Å; K65-E90 IonicContact NZ-OE2 3.55Å; K65-E90 PolarHBondContact O-N 3.33Å
66	I	96.8	Very high	91.5	Very high	15 Å²	15	40.4 Å²	40.4	8%	0.077	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.8	167.7	-60.7	-179.8	0	0	0	108.1	E40 L42 E87 L88	E40-I66 HydrophobicContact CB-CB 4.35Å; E40-I66 PolarHBondContact N-O 3.23Å; E40-I66 PolarHBondContact O-N 3.16Å; L42-I66 HydrophobicContact CD1-CD1 3.63Å; L42-I66 HydrophobicContact CD1-CG1 3.86Å; L42-I66 HydrophobicContact CD2-CD1 4.45Å; L42-I66 HydrophobicContact CG-CD1 4.24Å; L42-I66 HydrophobicContact CG-CG1 4.26Å; I66-E87 HydrophobicContact CG2-CB 3.9Å; I66-E87 HydrophobicContact CG2-CG 4.46Å; I66-L88 CarbonylContact C-O 3.49Å; I66-L88 WeakPolarHBondContact CA-O 3.4Å
67	Y	94.6	Very high	90.7	Very high	56 Å²	56	36.9 Å²	36.9	22%	0.22	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.9	170.6	-62.1	-73.4	0	0	0	109.6	I39 E87 L88 E90 L103	I39-Y67 HydrophobicContact CD1-CD1 4.18Å; I39-Y67 HydrophobicContact CD1-CE1 3.8Å; I39-Y67 HydrophobicContact CG1-CD1 3.44Å; I39-Y67 VanDerWaalsContact CG1-CD1 3.44Å; I39-Y67 HydrophobicContact CG1-CE1 3.47Å; I39-Y67 VanDerWaalsContact CG1-CE1 3.47Å; Y67-E87 CarbonylContact O-C 3.56Å; Y67-E87 WeakPolarHBondContact O-CA 3.4Å; Y67-L88 HydrophobicContact CD2-CB 4.3Å; Y67-L88 PolarHBondContact N-O 3.21Å; Y67-L88 PolarHBondContact O-N 3.14Å; Y67-E90 HydrophobicContact CD2-CB 4.21Å; Y67-E90 HydrophobicContact CE2-CB 3.57Å; Y67-E90 HydrophobicContact CE2-CG 4.22Å; Y67-E90 WeakPolarHBondContact CE2-OE1 3.4Å; Y67-E90 PolarHBondContact OH-OE1 3.46Å; Y67-E90 PolarHBondContact OH-OE2 3.1Å; Y67-L103 HydrophobicContact CD2-CD1 3.81Å; Y67-L103 HydrophobicContact CE2-CD1 3.9Å
68	H	93.8	Very high	89.8	Confident	30 Å²	30	40.4 Å²	40.4	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.7	173.9	-62.6	-79.3	0	0	0	109.2	E37 G38 E40 E87	E37-H68 WeakPolarHBondContact CB-O 3.38Å; G38-H68 PolarHBondContact N-O 3.42Å; G38-H68 PolarHBondContact O-N 2.93Å; E40-H68 IonicContact OE2-CD2 3.85Å; E40-H68 IonicContact OE2-CE1 3.76Å; E40-H68 IonicContact OE2-NE2 2.75Å; E40-H68 PolarHBondContact OE2-NE2 2.92Å; H68-E87 IonicContact CE1-OE2 2.72Å
69	I	89.3	Confident	89	Confident	31 Å²	31	45.9 Å²	45.9	16%	0.159	22%	0.224	C	C	.	.			trans	-127.2	26.7	-163.3	60.2	173	0	0	0	114.2	S71 K72 V73 L86 L88	I69-S71 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.04Å; I69-K72 HydrophobicContact CB-CB 4.13Å; I69-K72 HydrophobicContact CG2-CD 4.38Å; I69-K72 PolarHBondContact O-N 2.91Å; I69-K72 VanDerWaalsContact O-N 3.12Å; I69-V73 HydrophobicContact CB-CG1 4.27Å; I69-V73 HydrophobicContact CD1-CG1 3.5Å; I69-V73 VanDerWaalsContact CD1-CG1 3.5Å; I69-V73 HydrophobicContact CG1-CG1 3.86Å; I69-V73 PolarHBondContact O-N 3.35Å; I69-L86 HydrophobicContact CG1-CB 4.47Å; I69-L86 WeakPolarHBondContact CG1-O 3.25Å; I69-L86 PolarHBondContact N-O 2.92Å; I69-L88 HydrophobicContact CD1-CD1 3.56Å; I69-L88 HydrophobicContact CD1-CG 3.71Å
70	S	86.1	Confident	88	Confident	45 Å²	45	46 Å²	46	32%	0.315	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-43.4	-170.8	-72.4	0	0	0	0	113.9	E37 R78	E37-S70 WeakPolarHBondContact OE1-CB 3.5Å; E37-S70 PolarHBondContact OE2-N 3.21Å; S70-R78 WeakPolarHBondContact O-CD 3.31Å
71	S	84.8	Confident	87	Confident	37 Å²	37	45.4 Å²	45.4	26%	0.259	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.4	177.7	74.5	0	0	0	0	113.5	E37 I69	E37-S71 VanDerWaalsContact CD-N 3.27Å; E37-S71 WeakPolarHBondContact OE1-CB 3.13Å; E37-S71 PolarHBondContact OE1-N 2.84Å; E37-S71 PolarHBondContact OE1-OG 2.99Å; E37-S71 WeakPolarHBondContact OE2-CB 3.39Å; E37-S71 PolarHBondContact OE2-N 3.03Å; E37-S71 PolarHBondContact OE2-OG 3.15Å; I69-S71 VanDerWaalsContact C-N 3.34Å; I69-S71 PolarHBondContact O-N 3.04Å
72	K	83.5	Confident	86	Confident	20 Å²	20	47 Å²	47	9%	0.087	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.8	-175.7	-67.5	175.4	170	-78.5	0	114.3	E32 I69 R262 M264 A266	E32-K72 IonicContact OE2-NZ 2.8Å; E32-K72 PolarHBondContact OE2-NZ 2.82Å; I69-K72 HydrophobicContact CB-CB 4.13Å; I69-K72 HydrophobicContact CG2-CD 4.38Å; I69-K72 PolarHBondContact O-N 2.91Å; I69-K72 VanDerWaalsContact O-N 3.12Å; K72-R262 VanDerWaalsContact CE-O 3.3Å; K72-R262 WeakPolarHBondContact CE-O 3.48Å; K72-R262 PolarHBondContact NZ-O 2.9Å; K72-M264 PolarHBondContact NZ-O 3.06Å; K72-A266 VanDerWaalsContact O-CB 3.27Å; K72-A266 WeakPolarHBondContact O-CB 3.41Å; K72-A266 PolarHBondContact O-N 3.07Å
73	V	81.3	Confident	84.8	Confident	12 Å²	12	51.1 Å²	51.1	7%	0.073	27%	0.265	C	S	.	.	S	Bend	trans	-88.6	155.1	177	-63.2	0	0	0	0	112.9	I69 V77 R78 L86	I69-V73 HydrophobicContact CB-CG1 4.27Å; I69-V73 HydrophobicContact CD1-CG1 3.5Å; I69-V73 VanDerWaalsContact CD1-CG1 3.5Å; I69-V73 HydrophobicContact CG1-CG1 3.86Å; I69-V73 PolarHBondContact O-N 3.35Å; V73-V77 HydrophobicContact CB-CB 4.13Å; V73-V77 HydrophobicContact CB-CG1 4.12Å; V73-V77 HydrophobicContact CG2-CB 4.1Å; V73-V77 HydrophobicContact CG2-CG1 4.02Å; V73-R78 HydrophobicContact CG2-CG 3.55Å; V73-L86 HydrophobicContact CG2-CD1 3.76Å; V73-L86 HydrophobicContact CG2-CD2 4.05Å; V73-L86 HydrophobicContact CG2-CG 4.47Å
74	P	79.3	Confident	83.7	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.058	29%	0.291	C	S	.	.			trans	-56.5	148.7	177	-25.4	34.8	0	0	0	112.7	W76 V77 R78 F212 A266	P74-W76 HydrophobicContact CB-CG 4.34Å; P74-W76 VanDerWaalsContact CB-NE1 3.27Å; P74-W76 PolarHBondContact O-N 3.34Å; P74-V77 HydrophobicContact CB-CG2 4.33Å; P74-V77 HydrophobicContact CG-CG2 4.36Å; P74-V77 WeakPolarHBondContact O-CB 3.45Å; P74-V77 PolarHBondContact O-N 2.88Å; P74-R78 PolarHBondContact O-N 3.26Å; P74-F212 HydrophobicContact CG-CD2 3.8Å; P74-F212 HydrophobicContact CG-CE1 4.17Å; P74-F212 HydrophobicContact CG-CE2 3.16Å; P74-F212 HydrophobicContact CG-CZ 3.39Å; P74-A266 HydrophobicContact CG-CB 4.4Å
75	W	81	Confident	82.8	Confident	143 Å²	143	52.5 Å²	52.5	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-55.3	-31.9	-176.8	75.6	-94.9	0	0	0	114	R78 K79	W75-R78 PolarHBondContact O-N 3.16Å; W75-K79 HydrophobicContact CE3-CD 4.06Å; W75-K79 HydrophobicContact CE3-CG 4.17Å; W75-K79 HydrophobicContact CZ3-CD 3.75Å; W75-K79 HydrophobicContact CZ3-CG 4.31Å; W75-K79 PolarHBondContact O-N 3.34Å
76	W	77.3	Confident	82.3	Confident	30 Å²	30	52.2 Å²	52.2	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-72.3	-31.4	179.3	63.1	-93.3	0	0	0	112.1	P74 K79 L80 R208 V209 F212	P74-W76 HydrophobicContact CB-CG 4.34Å; P74-W76 VanDerWaalsContact CB-NE1 3.27Å; P74-W76 PolarHBondContact O-N 3.34Å; W76-K79 PolarHBondContact O-N 3.45Å; W76-L80 HydrophobicContact CE3-CD1 3.96Å; W76-L80 HydrophobicContact CZ3-CD1 4.26Å; W76-L80 WeakPolarHBondContact O-CG 3.48Å; W76-L80 PolarHBondContact O-N 2.75Å; W76-R208 VanDerWaalsContact CD1-NH2 3.29Å; W76-R208 HydrophobicContact CH2-CG 4.31Å; W76-R208 HydrophobicContact CZ2-CG 4.24Å; W76-V209 HydrophobicContact CH2-CG2 3.59Å; W76-V209 HydrophobicContact CZ3-CG2 3.88Å; W76-F212 HydrophobicContact CZ2-CB 4.23Å; W76-F212 HydrophobicContact CZ2-CD1 4.46Å; W76-F212 HydrophobicContact CZ2-CG 4.18Å
77	V	78.5	Confident	82	Confident	28 Å²	28	53 Å²	53	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-43.7	171.2	-179.6	0	0	0	0	109.6	V73 P74 K79 L80 A81 L86	V73-V77 HydrophobicContact CB-CB 4.13Å; V73-V77 HydrophobicContact CB-CG1 4.12Å; V73-V77 HydrophobicContact CG2-CB 4.1Å; V73-V77 HydrophobicContact CG2-CG1 4.02Å; P74-V77 HydrophobicContact CB-CG2 4.33Å; P74-V77 HydrophobicContact CG-CG2 4.36Å; P74-V77 WeakPolarHBondContact O-CB 3.45Å; P74-V77 PolarHBondContact O-N 2.88Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.34Å; V77-L80 PolarHBondContact O-N 3.19Å; V77-A81 WeakPolarHBondContact O-CB 3.14Å; V77-A81 PolarHBondContact O-N 3.04Å; V77-L86 HydrophobicContact CG1-CD2 3.97Å
78	R	78.8	Confident	82	Confident	120 Å²	120	51.7 Å²	51.7	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-31.6	178.2	-58.3	-167.9	-65.7	-169.9	-11.6	114	S70 V73 P74 W75 L80 L86	S70-R78 WeakPolarHBondContact O-CD 3.31Å; V73-R78 HydrophobicContact CG2-CG 3.55Å; P74-R78 PolarHBondContact O-N 3.26Å; W75-R78 PolarHBondContact O-N 3.16Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L86 HydrophobicContact CB-CD1 4.46Å; R78-L86 HydrophobicContact CG-CD1 3.96Å
79	K	78.2	Confident	82.1	Confident	166 Å²	166	51.7 Å²	51.7	72%	0.722	29%	0.288	S	S	*	.	H	α-helix	trans	-75.7	-23.4	176.2	-74.7	-155.2	-173.4	178.9	0	113.5	W75 W76 V77	W75-K79 HydrophobicContact CE3-CD 4.06Å; W75-K79 HydrophobicContact CE3-CG 4.17Å; W75-K79 HydrophobicContact CZ3-CD 3.75Å; W75-K79 HydrophobicContact CZ3-CG 4.31Å; W75-K79 PolarHBondContact O-N 3.34Å; W76-K79 PolarHBondContact O-N 3.45Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.34Å
80	L	75.7	Confident	82.5	Confident	68 Å²	68	51.4 Å²	51.4	36%	0.356	29%	0.286	S	S	.	.	H	α-helix	trans	-86.5	-40.2	-179.8	-73.7	174.7	0	0	0	111.1	W76 V77 R78 Y108 W202 L205	W76-L80 HydrophobicContact CE3-CD1 3.96Å; W76-L80 HydrophobicContact CZ3-CD1 4.26Å; W76-L80 WeakPolarHBondContact O-CG 3.48Å; W76-L80 PolarHBondContact O-N 2.75Å; V77-L80 PolarHBondContact O-N 3.19Å; R78-L80 VanDerWaalsContact C-N 3.33Å; L80-Y108 PolarHBondContact O-OH 2.77Å; L80-W202 HydrophobicContact CB-CH2 3.74Å; L80-W202 HydrophobicContact CB-CZ3 4.09Å; L80-W202 HydrophobicContact CD1-CH2 4.23Å; L80-W202 HydrophobicContact CD1-CZ3 4.07Å; L80-W202 HydrophobicContact CD2-CH2 4.18Å; L80-W202 HydrophobicContact CG-CH2 4.27Å; L80-L205 HydrophobicContact CD1-CD1 3.41Å; L80-L205 VanDerWaalsContact CD1-CD1 3.41Å; L80-L205 HydrophobicContact CD1-CD2 4.46Å; L80-L205 HydrophobicContact CD2-CD1 4.41Å
81	A	76.4	Confident	83.1	Confident	12 Å²	12	53.6 Å²	53.6	10%	0.099	29%	0.29	C	S	.	.	S	Bend	trans	-81.1	132.9	-178.5	0	0	0	0	0	112.5	V77 L86 Y108	V77-A81 WeakPolarHBondContact O-CB 3.14Å; V77-A81 PolarHBondContact O-N 3.04Å; A81-L86 HydrophobicContact CB-CD1 4.4Å; A81-L86 HydrophobicContact CB-CD2 3.42Å; A81-L86 VanDerWaalsContact CB-CD2 3.42Å; A81-L86 HydrophobicContact CB-CG 3.82Å; A81-Y108 HydrophobicContact CB-CD1 4.41Å; A81-Y108 HydrophobicContact CB-CE1 4.05Å
82	P	77.7	Confident	83.7	Confident	68 Å²	68	52.2 Å²	52.2	44%	0.442	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-52.6	149.6	167.2	-25.9	33.2	0	0	0	112.6	G84 S85 Y108	P82-G84 PolarHBondContact O-N 2.67Å; P82-S85 WeakPolarHBondContact CD-OG 3.15Å; P82-S85 WeakPolarHBondContact O-CB 3.45Å; P82-S85 PolarHBondContact O-N 3.27Å; P82-S85 PolarHBondContact O-OG 2.92Å; P82-Y108 VanDerWaalsContact CD-CD2 3.5Å; P82-Y108 VanDerWaalsContact CD-CZ 3.48Å; P82-Y108 HydrophobicContact CG-CD2 3.87Å; P82-Y108 HydrophobicContact CG-CE2 3.75Å
83	A	73.7	Confident	84.5	Confident	113 Å²	113	53.4 Å²	53.4	93%	0.934	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	130.8	173.8	0	0	0	0	0	110.3	S85	A83-S85 VanDerWaalsContact C-N 3.33Å
84	G	73.7	Confident	85.3	Confident	63 Å²	63	53.9 Å²	53.9	65%	0.649	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-1.4	-178.4	0	0	0	0	0	115.4	P82	P82-G84 PolarHBondContact O-N 2.67Å
85	S	81.2	Confident	86.1	Confident	12 Å²	12	53.7 Å²	53.7	8%	0.084	29%	0.286	C	S	.	.			trans	-92.2	1.1	178.9	81	0	0	0	0	114.7	P82 A83 E87 N105	P82-S85 WeakPolarHBondContact CD-OG 3.15Å; P82-S85 WeakPolarHBondContact O-CB 3.45Å; P82-S85 PolarHBondContact O-N 3.27Å; P82-S85 PolarHBondContact O-OG 2.92Å; A83-S85 VanDerWaalsContact C-N 3.33Å; S85-E87 PolarHBondContact O-N 3.31Å; S85-E87 VanDerWaalsContact O-N 3.12Å; S85-N105 PolarHBondContact O-ND2 2.9Å
86	L	86.1	Confident	87	Confident	19 Å²	19	48.6 Å²	48.6	10%	0.099	27%	0.267	C	S	.	.			trans	-88.3	60.8	-176.9	-68.2	173.3	0	0	0	111.2	I69 V73 V77 R78 A81	I69-L86 HydrophobicContact CG1-CB 4.47Å; I69-L86 WeakPolarHBondContact CG1-O 3.25Å; I69-L86 PolarHBondContact N-O 2.92Å; V73-L86 HydrophobicContact CG2-CD1 3.76Å; V73-L86 HydrophobicContact CG2-CD2 4.05Å; V73-L86 HydrophobicContact CG2-CG 4.47Å; V77-L86 HydrophobicContact CG1-CD2 3.97Å; R78-L86 HydrophobicContact CB-CD1 4.46Å; R78-L86 HydrophobicContact CG-CD1 3.96Å; A81-L86 HydrophobicContact CB-CD1 4.4Å; A81-L86 HydrophobicContact CB-CD2 3.42Å; A81-L86 VanDerWaalsContact CB-CD2 3.42Å; A81-L86 HydrophobicContact CB-CG 3.82Å
87	E	92.2	Very high	88	Confident	32 Å²	32	49.1 Å²	49.1	15%	0.15	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.5	171.6	70.1	-175.4	-177.6	0	0	110.6	I66 Y67 H68 S85 H89 N105 N107	I66-E87 HydrophobicContact CG2-CB 3.9Å; I66-E87 HydrophobicContact CG2-CG 4.46Å; Y67-E87 CarbonylContact O-C 3.56Å; Y67-E87 WeakPolarHBondContact O-CA 3.4Å; H68-E87 IonicContact CE1-OE2 2.72Å; S85-E87 PolarHBondContact O-N 3.31Å; S85-E87 VanDerWaalsContact O-N 3.12Å; E87-H89 IonicContact OE1-NE2 3.19Å; E87-N105 PolarHBondContact O-ND2 3.12Å; E87-N107 PolarHBondContact OE1-ND2 3.19Å
88	L	92.9	Very high	88.9	Confident	28 Å²	28	47.8 Å²	47.8	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.6	176	-57.9	177.4	0	0	0	109.9	I66 Y67 I69 L103 T104 N105 F113	I66-L88 CarbonylContact C-O 3.49Å; I66-L88 WeakPolarHBondContact CA-O 3.4Å; Y67-L88 HydrophobicContact CD2-CB 4.3Å; Y67-L88 PolarHBondContact N-O 3.21Å; Y67-L88 PolarHBondContact O-N 3.14Å; I69-L88 HydrophobicContact CD1-CD1 3.56Å; I69-L88 HydrophobicContact CD1-CG 3.71Å; L88-L103 HydrophobicContact CB-CD1 3.61Å; L88-L103 HydrophobicContact CB-CG 4.02Å; L88-L103 HydrophobicContact CD1-CD1 4.33Å; L88-L103 HydrophobicContact CD1-CD2 3.75Å; L88-L103 HydrophobicContact CD1-CG 4.13Å; L88-T104 CarbonylContact C-O 3.41Å; L88-T104 WeakPolarHBondContact CA-O 3.45Å; L88-N105 HydrophobicContact CD2-CB 3.86Å; L88-F113 HydrophobicContact CD2-CD1 4.46Å; L88-F113 HydrophobicContact CD2-CE1 3.87Å
89	H	96.7	Very high	89.9	Confident	29 Å²	29	42.7 Å²	42.7	13%	0.134	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.4	174.4	-76	-128.6	0	0	0	108.8	H64 E87 L103 T104 P106	H64-H89 AromaticContact CE1-ND1 3.74Å; H64-H89 AromaticContact NE2-CG 3.87Å; H64-H89 AromaticContact NE2-ND1 3.18Å; H64-H89 PolarHBondContact NE2-ND1 3.06Å; H64-H89 VanDerWaalsContact NE2-ND1 3.18Å; E87-H89 IonicContact OE1-NE2 3.19Å; H89-L103 WeakPolarHBondContact O-CA 3.25Å; H89-T104 PolarHBondContact N-O 3.27Å; H89-T104 PolarHBondContact O-N 3.23Å; H89-P106 HydrophobicContact CB-CG 4.35Å
90	E	97.7	Very high	90.8	Very high	26 Å²	26	37.6 Å²	37.6	12%	0.121	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.3	170.3	-179.8	-175.2	-91	0	0	109.7	H64 K65 Y67 I102 L103	H64-E90 CarbonylContact C-O 3.54Å; H64-E90 VanDerWaalsContact CA-O 3.29Å; H64-E90 WeakPolarHBondContact CA-O 3.26Å; H64-E90 PolarHBondContact CD2-O 3.15Å; K65-E90 HydrophobicContact CB-CB 4.45Å; K65-E90 PolarHBondContact N-O 3.07Å; K65-E90 IonicContact NZ-OE2 3.55Å; K65-E90 PolarHBondContact O-N 3.33Å; Y67-E90 HydrophobicContact CD2-CB 4.21Å; Y67-E90 HydrophobicContact CE2-CB 3.57Å; Y67-E90 HydrophobicContact CE2-CG 4.22Å; Y67-E90 WeakPolarHBondContact CE2-OE1 3.4Å; Y67-E90 PolarHBondContact OH-OE1 3.46Å; Y67-E90 PolarHBondContact OH-OE2 3.1Å; E90-I102 CarbonylContact C-O 3.56Å; E90-I102 WeakPolarHBondContact CA-O 3.36Å; E90-L103 HydrophobicContact CB-CD1 3.91Å
91	K	98.4	Very high	91.9	Very high	90 Å²	90	35.7 Å²	35.7	39%	0.391	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	163	-63.5	-176.1	177.1	-177.6	0	108	Y62 T63 W93 T101 I102	Y62-K91 HydrophobicContact CE2-CB 4.11Å; Y62-K91 WeakPolarHBondContact OH-CD 3.49Å; Y62-K91 WeakPolarHBondContact OH-CG 3.44Å; T63-K91 WeakPolarHBondContact O-CA 3.41Å; K91-W93 HydrophobicContact CB-CE3 4.48Å; K91-W93 HydrophobicContact CB-CH2 3.63Å; K91-W93 HydrophobicContact CB-CZ3 3.58Å; K91-W93 HydrophobicContact CD-CH2 4.17Å; K91-W93 WeakPolarHBondContact O-CZ3 3.29Å; K91-T101 CarbonylContact O-C 3.57Å; K91-T101 WeakPolarHBondContact O-CA 3.37Å; K91-I102 PolarHBondContact N-O 3.44Å; K91-I102 PolarHBondContact O-N 3.35Å
92	A	98.4	Very high	92.9	Very high	9 Å²	9	36.1 Å²	36.1	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.8	-179.2	0	0	0	0	0	111	Y62 T63 R100 T101	Y62-A92 CarbonylContact C-O 3.55Å; Y62-A92 WeakPolarHBondContact CA-O 3.24Å; T63-A92 PolarHBondContact N-O 3.35Å; T63-A92 PolarHBondContact O-N 3.45Å; A92-R100 CarbonylContact C-O 3.58Å; A92-R100 VanDerWaalsContact CA-O 3.29Å; A92-R100 WeakPolarHBondContact CA-O 3.36Å; A92-T101 HydrophobicContact CB-CG2 3.64Å
93	W	98.5	Very high	93.7	Very high	44 Å²	44	34 Å²	34	17%	0.167	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	107.9	173	-63.7	-107.7	0	0	0	107.8	Y47 D50 L52 Y62 K91 C99 R100 I102	Y47-W93 HydrophobicContact CE1-CB 4.12Å; Y47-W93 HydrophobicContact CE1-CG 4.47Å; Y47-W93 AromaticContact CZ-CD1 3.89Å; D50-W93 PolarHBondContact OD2-NE1 3.43Å; L52-W93 HydrophobicContact CD1-CB 3.5Å; L52-W93 HydrophobicContact CD1-CG 4.05Å; Y62-W93 HydrophobicContact CD2-CD2 4.1Å; Y62-W93 AromaticContact CD2-CE2 3.85Å; Y62-W93 HydrophobicContact CD2-CG 4.22Å; Y62-W93 HydrophobicContact CD2-CZ2 4.35Å; Y62-W93 AromaticContact CD2-NE1 3.86Å; Y62-W93 HydrophobicContact CE2-CD2 4.27Å; Y62-W93 AromaticContact CE2-CE2 3.83Å; Y62-W93 HydrophobicContact CE2-CH2 4.29Å; Y62-W93 AromaticContact CE2-CZ2 3.85Å; Y62-W93 HydrophobicContact CE2-CZ2 3.85Å; K91-W93 HydrophobicContact CB-CE3 4.48Å; K91-W93 HydrophobicContact CB-CH2 3.63Å; K91-W93 HydrophobicContact CB-CZ3 3.58Å; K91-W93 HydrophobicContact CD-CH2 4.17Å; K91-W93 WeakPolarHBondContact O-CZ3 3.29Å; W93-C99 WeakPolarHBondContact O-CA 3.24Å; W93-R100 PolarHBondContact N-O 3.15Å; W93-R100 PolarHBondContact O-N 3.21Å; W93-I102 HydrophobicContact CH2-CG1 4.45Å; W93-I102 HydrophobicContact CZ3-CB 4.29Å; W93-I102 HydrophobicContact CZ3-CG1 3.78Å
94	N	98.2	Very high	94.7	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.123	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	92	177.7	-172.2	-5.6	0	0	0	109.4	G60 Q61 Y96	G60-N94 CarbonylContact C-O 3.57Å; G60-N94 VanDerWaalsContact CA-O 3.28Å; G60-N94 WeakPolarHBondContact CA-O 3.39Å; Q61-N94 HydrophobicContact CB-CB 4.48Å; Q61-N94 PolarHBondContact N-O 3.43Å; Q61-N94 PolarHBondContact O-N 3.47Å; N94-Y96 WeakPolarHBondContact OD1-CB 3.25Å; N94-Y96 PolarHBondContact OD1-N 3.32Å
95	A	97.9	Very high	95.6	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.041	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	57.5	171.2	0	0	0	0	0	110.1	Y47 F57 S59 Y98	Y47-A95 WeakPolarHBondContact OH-CB 3.12Å; F57-A95 HydrophobicContact CB-CB 3.67Å; F57-A95 HydrophobicContact CD1-CB 4.46Å; F57-A95 HydrophobicContact CG-CB 4.23Å; S59-A95 WeakPolarHBondContact O-CB 3.42Å; A95-Y98 CarbonylContact C-O 3.52Å; A95-Y98 WeakPolarHBondContact CA-O 3.39Å; A95-Y98 PolarHBondContact N-O 3.42Å; A95-Y98 PolarHBondContact O-N 3.46Å; A95-Y98 VanDerWaalsContact O-O 3.05Å
96	Y	98.4	Very high	96	Very high	36 Å²	36	29.3 Å²	29.3	14%	0.141	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	132.2	-170.8	-163.5	-95.8	0	0	0	112.6	V14 Y17 Q18 N94 Y98 H121	V14-Y96 HydrophobicContact CG1-CE1 3.69Å; V14-Y96 VanDerWaalsContact CG1-OH 3.26Å; V14-Y96 WeakPolarHBondContact CG1-OH 3.38Å; V14-Y96 PolarHBondContact O-OH 3.41Å; Y17-Y96 HydrophobicContact CD1-CE2 4.25Å; Q18-Y96 HydrophobicContact CB-CD1 3.76Å; Q18-Y96 HydrophobicContact CB-CD2 4.38Å; Q18-Y96 HydrophobicContact CB-CE1 3.62Å; Q18-Y96 HydrophobicContact CB-CE2 4.27Å; Q18-Y96 HydrophobicContact CB-CG 4.15Å; Q18-Y96 HydrophobicContact CG-CD1 3.62Å; Q18-Y96 HydrophobicContact CG-CD2 4.16Å; Q18-Y96 HydrophobicContact CG-CE1 4.04Å; Q18-Y96 HydrophobicContact CG-CG 3.69Å; N94-Y96 WeakPolarHBondContact OD1-CB 3.25Å; N94-Y96 PolarHBondContact OD1-N 3.32Å; Y96-Y98 PolarHBondContact N-O 2.95Å; Y96-H121 AromaticContact CD2-ND1 3.84Å; Y96-H121 HydrophobicContact CE2-CB 4.07Å; Y96-H121 AromaticContact CE2-CE1 3.69Å; Y96-H121 AromaticContact CE2-CG 3.57Å; Y96-H121 AromaticContact CE2-ND1 3.26Å; Y96-H121 VanDerWaalsContact CE2-ND1 3.26Å; Y96-H121 WeakPolarHBondContact CE2-ND1 3.3Å; Y96-H121 AromaticContact CZ-CG 3.95Å; Y96-H121 WeakPolarHBondContact OH-CB 3.46Å
97	P	98.2	Very high	96.1	Very high	41 Å²	41	33.7 Å²	33.7	27%	0.266	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	cis	-83.8	3.5	14.2	34.8	-38.1	0	0	0	115.5	V14 F57 M120 H121	V14-P97 HydrophobicContact CG1-CB 4.35Å; F57-P97 HydrophobicContact CE1-CG 4.45Å; F57-P97 HydrophobicContact CZ-CG 4.43Å; P97-M120 HydrophobicContact CG-SD 4.37Å; P97-H121 HydrophobicContact CB-CB 4.17Å; P97-H121 PolarHBondContact O-N 3.33Å; P97-H121 VanDerWaalsContact O-N 3.15Å; P97-H121 PolarHBondContact O-ND1 3.45Å
98	Y	98.6	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.4	173.3	176.2	-98.6	0	0	0	111.6	L52 F53 F57 A95 Y96 R100 E118 T119 M120	L52-Y98 HydrophobicContact CB-CD1 4.21Å; L52-Y98 HydrophobicContact CB-CE1 3.78Å; L52-Y98 HydrophobicContact CD1-CD1 4.42Å; L52-Y98 HydrophobicContact CD1-CE1 4.12Å; L52-Y98 HydrophobicContact CG-CE1 4.5Å; F53-Y98 HydrophobicContact CB-CD1 4.23Å; F53-Y98 HydrophobicContact CB-CD2 4.14Å; F53-Y98 HydrophobicContact CB-CE1 4.14Å; F53-Y98 HydrophobicContact CB-CE2 4.01Å; F53-Y98 HydrophobicContact CB-CG 4.22Å; F53-Y98 AromaticContact CD2-CD2 4Å; F53-Y98 HydrophobicContact CD2-CD2 4Å; F53-Y98 AromaticContact CD2-CE2 3.68Å; F53-Y98 HydrophobicContact CD2-CE2 3.68Å; F53-Y98 HydrophobicContact CE2-CE2 4.49Å; F53-Y98 HydrophobicContact CG-CD2 4.09Å; F53-Y98 HydrophobicContact CG-CE2 4.07Å; F57-Y98 HydrophobicContact CD2-CD1 4.23Å; F57-Y98 HydrophobicContact CD2-CG 4.03Å; F57-Y98 VanDerWaalsContact CE2-CB 3.49Å; F57-Y98 HydrophobicContact CE2-CG 4.18Å; A95-Y98 CarbonylContact C-O 3.52Å; A95-Y98 WeakPolarHBondContact CA-O 3.39Å; A95-Y98 PolarHBondContact N-O 3.42Å; A95-Y98 PolarHBondContact O-N 3.46Å; A95-Y98 VanDerWaalsContact O-O 3.05Å; Y96-Y98 PolarHBondContact N-O 2.95Å; Y98-R100 HydrophobicContact CE1-CB 3.88Å; Y98-R100 PolarHBondContact OH-NE 3.35Å; Y98-R100 PolarHBondContact OH-NH2 3.43Å; Y98-R100 VanDerWaalsContact OH-NH2 3.1Å; Y98-E118 HydrophobicContact CE2-CB 4.14Å; Y98-E118 HydrophobicContact CE2-CG 4.44Å; Y98-E118 WeakPolarHBondContact OH-CG 3.25Å; Y98-E118 PolarHBondContact OH-OE1 3.17Å; Y98-T119 CarbonylContact C-O 3.59Å; Y98-T119 WeakPolarHBondContact CA-O 3.35Å; Y98-T119 WeakPolarHBondContact CD2-O 3.39Å; Y98-M120 HydrophobicContact CD2-CE 3.82Å; Y98-M120 HydrophobicContact CG-CE 4.37Å
99	C	98.4	Very high	95.6	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.088	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.8	171.7	-179.2	0	0	0	0	110.3	W93 E118 T119	W93-C99 WeakPolarHBondContact O-CA 3.24Å; C99-E118 CarbonylContact O-C 3.23Å; C99-E118 WeakPolarHBondContact O-CA 3.45Å; C99-T119 PolarHBondContact N-O 3.38Å; C99-T119 PolarHBondContact O-N 2.94Å
100	R	98.4	Very high	95.2	Very high	59 Å²	59	40.6 Å²	40.6	22%	0.223	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128	172.5	179.9	-178.3	-68.6	172.5	-3.4	109.1	A92 W93 Y98 I102 T117 E118	A92-R100 CarbonylContact C-O 3.58Å; A92-R100 VanDerWaalsContact CA-O 3.29Å; A92-R100 WeakPolarHBondContact CA-O 3.36Å; W93-R100 PolarHBondContact N-O 3.15Å; W93-R100 PolarHBondContact O-N 3.21Å; Y98-R100 HydrophobicContact CE1-CB 3.88Å; Y98-R100 PolarHBondContact OH-NE 3.35Å; Y98-R100 PolarHBondContact OH-NH2 3.43Å; Y98-R100 VanDerWaalsContact OH-NH2 3.1Å; R100-I102 HydrophobicContact CG-CD1 4.3Å; R100-I102 HydrophobicContact CG-CG1 4.49Å; R100-T117 CarbonylContact C-O 3.55Å; R100-T117 WeakPolarHBondContact CA-O 3.49Å; R100-E118 HydrophobicContact CG-CG 4.3Å; R100-E118 IonicContact CZ-OE1 3.8Å; R100-E118 IonicContact NE-OE1 2.84Å; R100-E118 IonicContact NH2-OE1 3.27Å; R100-E118 PolarHBondContact NH2-OE1 3.23Å
101	T	97.9	Very high	94.8	Very high	27 Å²	27	46.1 Å²	46.1	17%	0.166	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.1	169.8	74.1	0	0	0	0	110.5	K91 A92 K116 T117	K91-T101 CarbonylContact O-C 3.57Å; K91-T101 WeakPolarHBondContact O-CA 3.37Å; A92-T101 HydrophobicContact CB-CG2 3.64Å; T101-K116 CarbonylContact O-C 3.58Å; T101-K116 WeakPolarHBondContact O-CA 3.38Å; T101-T117 PolarHBondContact N-O 3.07Å; T101-T117 PolarHBondContact O-N 3.36Å; T101-T117 WeakPolarHBondContact OG1-CB 3.42Å
102	I	97.6	Very high	94.3	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.113	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.1	178	-58	-58.9	0	0	0	107.6	E90 K91 W93 R100 T104 Y114 L115 K116	E90-I102 CarbonylContact C-O 3.56Å; E90-I102 WeakPolarHBondContact CA-O 3.36Å; K91-I102 PolarHBondContact N-O 3.44Å; K91-I102 PolarHBondContact O-N 3.35Å; W93-I102 HydrophobicContact CH2-CG1 4.45Å; W93-I102 HydrophobicContact CZ3-CB 4.29Å; W93-I102 HydrophobicContact CZ3-CG1 3.78Å; R100-I102 HydrophobicContact CG-CD1 4.3Å; R100-I102 HydrophobicContact CG-CG1 4.49Å; I102-T104 HydrophobicContact CG2-CG2 3.97Å; I102-Y114 HydrophobicContact CD1-CE2 4.08Å; I102-Y114 WeakPolarHBondContact CD1-OH 3.26Å; I102-Y114 HydrophobicContact CG2-CD2 4.12Å; I102-Y114 HydrophobicContact CG2-CE2 3.62Å; I102-L115 WeakPolarHBondContact CA-O 3.39Å; I102-K116 HydrophobicContact CD1-CB 3.65Å; I102-K116 HydrophobicContact CD1-CD 3.87Å; I102-K116 HydrophobicContact CD1-CG 3.58Å
103	L	94.9	Very high	93.8	Very high	24 Å²	24	46.1 Å²	46.1	13%	0.126	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.2	178	-166.2	70.1	0	0	0	109.4	Y67 L88 H89 E90 F113 L115	Y67-L103 HydrophobicContact CD2-CD1 3.81Å; Y67-L103 HydrophobicContact CE2-CD1 3.9Å; L88-L103 HydrophobicContact CB-CD1 3.61Å; L88-L103 HydrophobicContact CB-CG 4.02Å; L88-L103 HydrophobicContact CD1-CD1 4.33Å; L88-L103 HydrophobicContact CD1-CD2 3.75Å; L88-L103 HydrophobicContact CD1-CG 4.13Å; H89-L103 WeakPolarHBondContact O-CA 3.25Å; E90-L103 HydrophobicContact CB-CD1 3.91Å; L103-F113 HydrophobicContact CD2-CZ 4.39Å; L103-F113 HydrophobicContact CG-CE1 4.35Å; L103-L115 HydrophobicContact CB-CB 4.17Å; L103-L115 HydrophobicContact CB-CD2 4.39Å; L103-L115 HydrophobicContact CD2-CD1 4.28Å; L103-L115 PolarHBondContact N-O 2.94Å; L103-L115 PolarHBondContact O-N 2.92Å
104	T	94.7	Very high	93.4	Very high	38 Å²	38	48.1 Å²	48.1	23%	0.233	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.8	-179.5	60.7	0	0	0	0	111.4	L88 H89 I102 Y114	L88-T104 CarbonylContact C-O 3.41Å; L88-T104 WeakPolarHBondContact CA-O 3.45Å; H89-T104 PolarHBondContact N-O 3.27Å; H89-T104 PolarHBondContact O-N 3.23Å; I102-T104 HydrophobicContact CG2-CG2 3.97Å; T104-Y114 HydrophobicContact CG2-CD2 4.29Å
105	N	91.7	Very high	93.2	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	73.7	174.3	176.1	-112.1	0	0	0	108.8	S85 E87 L88 N107 Y108 M109 K110 F113	S85-N105 PolarHBondContact O-ND2 2.9Å; E87-N105 PolarHBondContact O-ND2 3.12Å; L88-N105 HydrophobicContact CD2-CB 3.86Å; N105-N107 VanDerWaalsContact C-N 3.27Å; N105-N107 PolarHBondContact O-N 3Å; N105-Y108 PolarHBondContact O-N 2.98Å; N105-Y108 VanDerWaalsContact OD1-CB 3.26Å; N105-Y108 WeakPolarHBondContact OD1-CB 3.33Å; N105-M109 HydrophobicContact CB-CB 4.14Å; N105-M109 HydrophobicContact CB-CE 3.78Å; N105-M109 HydrophobicContact CB-CG 4.48Å; N105-M109 PolarHBondContact O-N 3.37Å; N105-M109 VanDerWaalsContact O-N 3.12Å; N105-M109 WeakPolarHBondContact OD1-CG 3.18Å; N105-M109 PolarHBondContact OD1-N 3.46Å; N105-K110 PolarHBondContact O-N 3.2Å; N105-F113 HydrophobicContact CB-CD1 3.98Å
106	P	90.8	Very high	93.1	Very high	48 Å²	48	49.2 Å²	49.2	31%	0.312	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.6	-164.4	25.2	-34.8	0	0	0	113.6	H89 K110	H89-P106 HydrophobicContact CB-CG 4.35Å; P106-K110 WeakPolarHBondContact O-CG 3.25Å
107	N	88.4	Confident	93.1	Very high	112 Å²	112	48 Å²	48	60%	0.599	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-15.9	-174.5	-71	-30.9	0	0	0	113.9	E87 N105	E87-N107 PolarHBondContact OE1-ND2 3.19Å; N105-N107 VanDerWaalsContact C-N 3.27Å; N105-N107 PolarHBondContact O-N 3Å
108	Y	87.2	Confident	93.1	Very high	64 Å²	64	47 Å²	47	25%	0.251	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-66	-178.8	171.6	-116.9	0	0	0	113.4	L80 A81 P82 N105 W202	L80-Y108 PolarHBondContact O-OH 2.77Å; A81-Y108 HydrophobicContact CB-CD1 4.41Å; A81-Y108 HydrophobicContact CB-CE1 4.05Å; P82-Y108 VanDerWaalsContact CD-CD2 3.5Å; P82-Y108 VanDerWaalsContact CD-CZ 3.48Å; P82-Y108 HydrophobicContact CG-CD2 3.87Å; P82-Y108 HydrophobicContact CG-CE2 3.75Å; N105-Y108 PolarHBondContact O-N 2.98Å; N105-Y108 VanDerWaalsContact OD1-CB 3.26Å; N105-Y108 WeakPolarHBondContact OD1-CB 3.33Å; Y108-W202 HydrophobicContact CE1-CH2 4.39Å; Y108-W202 WeakPolarHBondContact OH-CH2 3.34Å
109	M	87.1	Confident	93.1	Very high	35 Å²	35	47.1 Å²	47.1	17%	0.172	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-22	-179.1	-64	-177.8	-100.7	0	0	113.3	N105 D111 D112 F113 F200	N105-M109 HydrophobicContact CB-CB 4.14Å; N105-M109 HydrophobicContact CB-CE 3.78Å; N105-M109 HydrophobicContact CB-CG 4.48Å; N105-M109 PolarHBondContact O-N 3.37Å; N105-M109 VanDerWaalsContact O-N 3.12Å; N105-M109 WeakPolarHBondContact OD1-CG 3.18Å; N105-M109 PolarHBondContact OD1-N 3.46Å; M109-D111 PolarHBondContact O-N 2.7Å; M109-D112 WeakPolarHBondContact O-CA 3.35Å; M109-D112 VanDerWaalsContact O-CB 3.25Å; M109-D112 WeakPolarHBondContact O-CB 3.41Å; M109-D112 PolarHBondContact O-N 3.16Å; M109-F113 HydrophobicContact CB-CB 3.61Å; M109-F113 HydrophobicContact CE-CB 4.46Å; M109-F113 HydrophobicContact CE-CG 4.36Å; M109-F113 HydrophobicContact CG-CB 4.25Å; M109-F113 HydrophobicContact SD-CB 3.69Å; M109-F113 HydrophobicContact SD-CG 4.1Å; M109-F200 HydrophobicContact SD-CE2 3.83Å
110	K	88.9	Confident	93.1	Very high	135 Å²	135	47.4 Å²	47.4	59%	0.587	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	50.5	-122.6	178.3	-62	174.1	-179.2	-178.1	0	111.1	N105 P106 D112	N105-K110 PolarHBondContact O-N 3.2Å; P106-K110 WeakPolarHBondContact O-CG 3.25Å; K110-D112 PolarHBondContact O-N 2.9Å
111	D	88.4	Confident	93.1	Very high	142 Å²	142	44.9 Å²	44.9	76%	0.759	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	-6.2	-179.1	-56.5	-41.8	0	0	0	113.4	M109 F113	M109-D111 PolarHBondContact O-N 2.7Å; D111-F113 VanDerWaalsContact C-N 3.3Å
112	D	87.2	Confident	93.2	Very high	84 Å²	84	45.3 Å²	45.3	45%	0.449	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-5.2	178.6	-60.2	-38.1	0	0	0	112.9	M109 K110 F200 K201	M109-D112 WeakPolarHBondContact O-CA 3.35Å; M109-D112 VanDerWaalsContact O-CB 3.25Å; M109-D112 WeakPolarHBondContact O-CB 3.41Å; M109-D112 PolarHBondContact O-N 3.16Å; K110-D112 PolarHBondContact O-N 2.9Å; D112-F200 CarbonylContact O-C 3.59Å; D112-F200 WeakPolarHBondContact O-CA 3.19Å; D112-K201 HydrophobicContact CB-CB 4.19Å; D112-K201 PolarHBondContact O-N 2.92Å
113	F	88.5	Confident	93.2	Very high	14 Å²	14	48.1 Å²	48.1	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	120.4	173.5	173.8	-105.6	0	0	0	112.2	L88 L103 N105 M109 D111 L115 F200 I213	L88-F113 HydrophobicContact CD2-CD1 4.46Å; L88-F113 HydrophobicContact CD2-CE1 3.87Å; L103-F113 HydrophobicContact CD2-CZ 4.39Å; L103-F113 HydrophobicContact CG-CE1 4.35Å; N105-F113 HydrophobicContact CB-CD1 3.98Å; M109-F113 HydrophobicContact CB-CB 3.61Å; M109-F113 HydrophobicContact CE-CB 4.46Å; M109-F113 HydrophobicContact CE-CG 4.36Å; M109-F113 HydrophobicContact CG-CB 4.25Å; M109-F113 HydrophobicContact SD-CB 3.69Å; M109-F113 HydrophobicContact SD-CG 4.1Å; D111-F113 VanDerWaalsContact C-N 3.3Å; F113-L115 HydrophobicContact CE2-CB 4.4Å; F113-L115 HydrophobicContact CZ-CB 4.11Å; F113-F200 HydrophobicContact CB-CD2 4.29Å; F113-F200 AromaticContact CD2-CD2 3.96Å; F113-F200 HydrophobicContact CD2-CD2 3.96Å; F113-I213 HydrophobicContact CE2-CD1 3.81Å
114	Y	91.1	Very high	93.4	Very high	86 Å²	86	47.8 Å²	47.8	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	122.9	176	177.4	-89.9	0	0	0	110	I102 T104 K116 D199	I102-Y114 HydrophobicContact CD1-CE2 4.08Å; I102-Y114 WeakPolarHBondContact CD1-OH 3.26Å; I102-Y114 HydrophobicContact CG2-CD2 4.12Å; I102-Y114 HydrophobicContact CG2-CE2 3.62Å; T104-Y114 HydrophobicContact CG2-CD2 4.29Å; Y114-K116 HydrophobicContact CD1-CB 4.5Å; Y114-K116 HydrophobicContact CE1-CB 3.61Å; Y114-D199 PolarHBondContact N-O 3.03Å; Y114-D199 PolarHBondContact O-N 2.78Å; Y114-D199 VanDerWaalsContact O-O 3.11Å
115	L	93.4	Very high	93.5	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.7	172.3	-179.5	171	0	0	0	108.5	I102 L103 F113 T117 V196 T197 V198 I213 M215	I102-L115 WeakPolarHBondContact CA-O 3.39Å; L103-L115 HydrophobicContact CB-CB 4.17Å; L103-L115 HydrophobicContact CB-CD2 4.39Å; L103-L115 HydrophobicContact CD2-CD1 4.28Å; L103-L115 PolarHBondContact N-O 2.94Å; L103-L115 PolarHBondContact O-N 2.92Å; F113-L115 HydrophobicContact CE2-CB 4.4Å; F113-L115 HydrophobicContact CZ-CB 4.11Å; L115-T117 WeakPolarHBondContact CD2-OG1 3.21Å; L115-V196 HydrophobicContact CD2-CG1 4.25Å; L115-V196 HydrophobicContact CG-CG1 4.26Å; L115-T197 WeakPolarHBondContact CA-O 3.25Å; L115-V198 HydrophobicContact CD1-CG2 4.48Å; L115-V198 HydrophobicContact CG-CG2 4.26Å; L115-I213 HydrophobicContact CD1-CG2 3.41Å; L115-I213 VanDerWaalsContact CD1-CG2 3.41Å; L115-M215 HydrophobicContact CD1-CE 4.49Å; L115-M215 HydrophobicContact CD1-SD 4.48Å
116	K	96	Very high	93.8	Very high	47 Å²	47	49.1 Å²	49.1	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	173.7	173.3	172.1	66	151	0	109.3	T101 I102 Y114 E118 V196 T197	T101-K116 CarbonylContact O-C 3.58Å; T101-K116 WeakPolarHBondContact O-CA 3.38Å; I102-K116 HydrophobicContact CD1-CB 3.65Å; I102-K116 HydrophobicContact CD1-CD 3.87Å; I102-K116 HydrophobicContact CD1-CG 3.58Å; Y114-K116 HydrophobicContact CD1-CB 4.5Å; Y114-K116 HydrophobicContact CE1-CB 3.61Å; K116-E118 HydrophobicContact CD-CG 3.97Å; K116-E118 WeakPolarHBondContact CE-OE2 3.47Å; K116-E118 HydrophobicContact CG-CG 3.97Å; K116-E118 IonicContact NZ-OE1 2.74Å; K116-E118 IonicContact NZ-OE2 3.28Å; K116-E118 PolarHBondContact NZ-OE2 2.82Å; K116-V196 WeakPolarHBondContact O-CA 3.36Å; K116-T197 PolarHBondContact N-O 3.07Å; K116-T197 PolarHBondContact O-N 3.38Å
117	T	97.6	Very high	94.1	Very high	10 Å²	10	52.2 Å²	52.2	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.4	165.7	-52.4	0	0	0	0	108.9	R100 T101 L115 K194 L195 V196 F219	R100-T117 CarbonylContact C-O 3.55Å; R100-T117 WeakPolarHBondContact CA-O 3.49Å; T101-T117 PolarHBondContact N-O 3.07Å; T101-T117 PolarHBondContact O-N 3.36Å; T101-T117 WeakPolarHBondContact OG1-CB 3.42Å; L115-T117 WeakPolarHBondContact CD2-OG1 3.21Å; T117-K194 HydrophobicContact CG2-CB 4.48Å; T117-L195 CarbonylContact C-O 3.57Å; T117-L195 VanDerWaalsContact CA-O 3.3Å; T117-L195 WeakPolarHBondContact CA-O 3.41Å; T117-V196 HydrophobicContact CG2-CG2 4.16Å; T117-F219 HydrophobicContact CG2-CZ 4.11Å
118	E	98.2	Very high	94.5	Very high	20 Å²	20	49 Å²	49	9%	0.093	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.8	168.8	-66.8	177.8	103.6	0	0	107.5	Y98 C99 R100 K116 H132 K194 L195	Y98-E118 HydrophobicContact CE2-CB 4.14Å; Y98-E118 HydrophobicContact CE2-CG 4.44Å; Y98-E118 WeakPolarHBondContact OH-CG 3.25Å; Y98-E118 PolarHBondContact OH-OE1 3.17Å; C99-E118 CarbonylContact O-C 3.23Å; C99-E118 WeakPolarHBondContact O-CA 3.45Å; R100-E118 HydrophobicContact CG-CG 4.3Å; R100-E118 IonicContact CZ-OE1 3.8Å; R100-E118 IonicContact NE-OE1 2.84Å; R100-E118 IonicContact NH2-OE1 3.27Å; R100-E118 PolarHBondContact NH2-OE1 3.23Å; K116-E118 HydrophobicContact CD-CG 3.97Å; K116-E118 WeakPolarHBondContact CE-OE2 3.47Å; K116-E118 HydrophobicContact CG-CG 3.97Å; K116-E118 IonicContact NZ-OE1 2.74Å; K116-E118 IonicContact NZ-OE2 3.28Å; K116-E118 PolarHBondContact NZ-OE2 2.82Å; E118-H132 PolarHBondContact O-NE2 2.97Å; E118-K194 CarbonylContact O-C 3.58Å; E118-L195 PolarHBondContact N-O 3.02Å; E118-L195 PolarHBondContact O-N 2.93Å
119	T	98.6	Very high	95	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.9	179.7	-52.4	0	0	0	0	110.4	Y98 C99 H121 Y193 K194	Y98-T119 CarbonylContact C-O 3.59Å; Y98-T119 WeakPolarHBondContact CA-O 3.35Å; Y98-T119 WeakPolarHBondContact CD2-O 3.39Å; C99-T119 PolarHBondContact N-O 3.38Å; C99-T119 PolarHBondContact O-N 2.94Å; T119-H121 VanDerWaalsContact CG2-CE1 3.42Å; T119-H121 WeakPolarHBondContact CG2-CE1 3.34Å; T119-H121 VanDerWaalsContact CG2-NE2 3.32Å; T119-H121 WeakPolarHBondContact CG2-NE2 3.18Å; T119-Y193 CarbonylContact C-O 3.5Å; T119-Y193 WeakPolarHBondContact CA-O 3.31Å; T119-Y193 WeakPolarHBondContact CG2-O 3.09Å; T119-K194 HydrophobicContact CG2-CG 3.73Å; T119-K194 PolarHBondContact OG1-NZ 3.26Å
120	M	98.7	Very high	95.5	Very high	19 Å²	19	51.4 Å²	51.4	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.1	165.1	-167.2	61.6	73.6	0	0	109.6	F53 F57 P97 Y98 V122 V131 Y193	F53-M120 HydrophobicContact CD1-CE 3.97Å; F53-M120 HydrophobicContact CD2-CE 4.43Å; F53-M120 HydrophobicContact CE1-CE 3.58Å; F53-M120 HydrophobicContact CE2-CE 4.1Å; F53-M120 HydrophobicContact CG-CE 4.37Å; F53-M120 HydrophobicContact CZ-CE 3.65Å; F57-M120 HydrophobicContact CE2-CE 4.1Å; F57-M120 HydrophobicContact CZ-CE 4.47Å; P97-M120 HydrophobicContact CG-SD 4.37Å; Y98-M120 HydrophobicContact CD2-CE 3.82Å; Y98-M120 HydrophobicContact CG-CE 4.37Å; M120-V122 HydrophobicContact CG-CG2 3.84Å; M120-V131 HydrophobicContact CB-CG2 4.12Å; M120-Y193 PolarHBondContact N-O 2.93Å; M120-Y193 PolarHBondContact O-N 3.46Å
121	H	98.8	Very high	95.9	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.028	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.7	176.4	-51	87.1	0	0	0	109	V14 Y17 Y96 P97 T119 M190	V14-H121 HydrophobicContact CG1-CB 4.36Å; Y17-H121 AromaticContact CD1-CD2 3.42Å; Y17-H121 VanDerWaalsContact CD1-CD2 3.42Å; Y17-H121 WeakPolarHBondContact CD1-CD2 3.44Å; Y17-H121 AromaticContact CD1-NE2 3.78Å; Y17-H121 AromaticContact CE1-CD2 3.25Å; Y17-H121 WeakPolarHBondContact CE1-CD2 3.36Å; Y17-H121 AromaticContact CE1-NE2 3.19Å; Y17-H121 WeakPolarHBondContact CE1-NE2 3.1Å; Y96-H121 AromaticContact CD2-ND1 3.84Å; Y96-H121 HydrophobicContact CE2-CB 4.07Å; Y96-H121 AromaticContact CE2-CE1 3.69Å; Y96-H121 AromaticContact CE2-CG 3.57Å; Y96-H121 AromaticContact CE2-ND1 3.26Å; Y96-H121 VanDerWaalsContact CE2-ND1 3.26Å; Y96-H121 WeakPolarHBondContact CE2-ND1 3.3Å; Y96-H121 AromaticContact CZ-CG 3.95Å; Y96-H121 WeakPolarHBondContact OH-CB 3.46Å; P97-H121 HydrophobicContact CB-CB 4.17Å; P97-H121 PolarHBondContact O-N 3.33Å; P97-H121 VanDerWaalsContact O-N 3.15Å; P97-H121 PolarHBondContact O-ND1 3.45Å; T119-H121 VanDerWaalsContact CG2-CE1 3.42Å; T119-H121 WeakPolarHBondContact CG2-CE1 3.34Å; T119-H121 VanDerWaalsContact CG2-NE2 3.32Å; T119-H121 WeakPolarHBondContact CG2-NE2 3.18Å; H121-M190 HydrophobicContact CB-CE 4.04Å
122	V	98.7	Very high	96.4	Very high	37 Å²	37	40 Å²	40	22%	0.224	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.8	-171.3	-174	0	0	0	0	109.6	M120 D124 V131 M190 C191 Y193	M120-V122 HydrophobicContact CG-CG2 3.84Å; V122-D124 HydrophobicContact CG1-CB 4.17Å; V122-D124 PolarHBondContact O-N 2.87Å; V122-V131 HydrophobicContact CG2-CG1 4.4Å; V122-M190 CarbonylContact O-C 3.58Å; V122-M190 VanDerWaalsContact O-CA 3.24Å; V122-M190 WeakPolarHBondContact O-CA 3.06Å; V122-M190 WeakPolarHBondContact O-CB 3.44Å; V122-C191 PolarHBondContact N-O 2.87Å; V122-C191 VanDerWaalsContact N-O 3.07Å; V122-C191 PolarHBondContact O-N 3.29Å; V122-Y193 HydrophobicContact CB-CD2 4.35Å; V122-Y193 HydrophobicContact CB-CE2 3.95Å; V122-Y193 HydrophobicContact CG2-CD2 4.04Å; V122-Y193 HydrophobicContact CG2-CE2 4Å
123	A	98.5	Very high	96.9	Very high	80 Å²	80	40.8 Å²	40.8	66%	0.661	22%	0.217	S	C	*	.	S	Bend	trans	-80	63.2	177.4	0	0	0	0	0	111.4	V14	V14-A123 HydrophobicContact CG2-CB 3.95Å
124	D	98.2	Very high	97.3	Very high	18 Å²	18	41.2 Å²	41.2	10%	0.096	22%	0.22	C	C	.	.	S	Bend	trans	-146.6	-172.2	-179.1	78.3	6.3	0	0	0	112.1	V122 G126 D127 S128 M190 C191 Y193	V122-D124 HydrophobicContact CG1-CB 4.17Å; V122-D124 PolarHBondContact O-N 2.87Å; D124-G126 PolarHBondContact OD1-N 3.17Å; D124-D127 WeakPolarHBondContact CB-OD1 3.41Å; D124-S128 WeakPolarHBondContact OD2-CB 3.16Å; D124-S128 PolarHBondContact OD2-N 2.86Å; D124-S128 PolarHBondContact OD2-OG 2.99Å; D124-M190 CarbonylContact O-C 3.55Å; D124-M190 WeakPolarHBondContact O-CA 3.45Å; D124-C191 PolarHBondContact O-N 2.67Å; D124-C191 VanDerWaalsContact OD1-CB 3.31Å; D124-C191 WeakPolarHBondContact OD1-CB 3.39Å; D124-Y193 WeakPolarHBondContact OD1-CE2 3.32Å; D124-Y193 PolarHBondContact OD1-OH 2.94Å; D124-Y193 PolarHBondContact OD2-OH 2.8Å
125	R	97.9	Very high	97.6	Very high	66 Å²	66	39.7 Å²	39.7	25%	0.249	22%	0.222	C	C	.	.	S	Bend	trans	-103.1	23.7	-178.4	-62.6	-168.9	-178.9	-79.5	-7.3	112.9	V9 D127 M183 C186 E187 V189	V9-R125 VanDerWaalsContact CG2-O 3.31Å; V9-R125 WeakPolarHBondContact CG2-O 3.46Å; R125-D127 PolarHBondContact N-OD1 2.93Å; R125-M183 PolarHBondContact NH1-O 2.86Å; R125-C186 PolarHBondContact NH1-O 3.48Å; R125-C186 PolarHBondContact NH1-SG 2.85Å; R125-C186 VanDerWaalsContact NH1-SG 3.44Å; R125-C186 PolarHBondContact NH2-O 2.82Å; R125-E187 IonicContact NH2-OE1 3.69Å; R125-E187 PolarHBondContact NH2-OE1 3.19Å; R125-V189 HydrophobicContact CG-CG1 4.12Å; R125-V189 HydrophobicContact CG-CG2 3.94Å
126	G	97.7	Very high	97.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	25%	0.25	C	S	.	.	S	Bend	trans	79	24.5	-174.9	0	0	0	0	0	112.5	R7 D124 Y146 C191 Y193	R7-G126 WeakPolarHBondContact CD-O 3.1Å; R7-G126 PolarHBondContact NH1-O 3.42Å; D124-G126 PolarHBondContact OD1-N 3.17Å; G126-Y146 WeakPolarHBondContact O-CE1 3.37Å; G126-Y146 PolarHBondContact O-OH 2.92Å; G126-C191 WeakPolarHBondContact CA-SG 3.34Å; G126-Y193 WeakPolarHBondContact CA-OH 3.44Å
127	D	96.4	Very high	97.8	Very high	114 Å²	114	46.7 Å²	46.7	61%	0.61	27%	0.27	S	S	*	.			trans	-98.6	-21.9	-176.7	53.5	-43.8	0	0	0	113.5	D124 R125 D129 Y193	D124-D127 WeakPolarHBondContact CB-OD1 3.41Å; R125-D127 PolarHBondContact N-OD1 2.93Å; D127-D129 PolarHBondContact O-N 3.11Å; D127-Y193 PolarHBondContact N-OH 2.94Å; D127-Y193 VanDerWaalsContact N-OH 3.11Å
128	S	97.9	Very high	97.7	Very high	44 Å²	44	49 Å²	49	31%	0.308	28%	0.282	S	S	.	.			trans	-57	130.3	172.8	-63.5	0	0	0	0	111.9	R7 D124 V131 Y193	R7-S128 PolarHBondContact NH1-O 2.88Å; R7-S128 PolarHBondContact NH2-O 3.29Å; R7-S128 VanDerWaalsContact NH2-O 3.07Å; D124-S128 WeakPolarHBondContact OD2-CB 3.16Å; D124-S128 PolarHBondContact OD2-N 2.86Å; D124-S128 PolarHBondContact OD2-OG 2.99Å; S128-V131 VanDerWaalsContact CB-CG1 3.4Å; S128-Y193 WeakPolarHBondContact CB-OH 3.13Å; S128-Y193 PolarHBondContact N-OH 2.88Å; S128-Y193 WeakPolarHBondContact O-CE1 3.5Å; S128-Y193 PolarHBondContact O-OH 3.15Å
129	D	96.8	Very high	97.7	Very high	111 Å²	111	50.3 Å²	50.3	59%	0.594	29%	0.289	S	S	*	.	S	Bend	trans	-90.2	146.6	175.2	-168.5	27	0	0	0	111.5	D127 V131 R142	D127-D129 PolarHBondContact O-N 3.11Å; D129-V131 VanDerWaalsContact C-N 3.27Å; D129-V131 PolarHBondContact O-N 2.63Å; D129-V131 VanDerWaalsContact O-N 3.11Å; D129-R142 IonicContact OD1-CZ 3.9Å; D129-R142 IonicContact OD1-NH1 3.44Å; D129-R142 IonicContact OD1-NH2 3.92Å; D129-R142 PolarHBondContact OD1-NH2 2.55Å
130	N	97.7	Very high	97.6	Very high	39 Å²	39	59 Å²	59	21%	0.209	33%	0.327	C	S	.	.			trans	45.3	41.7	175	-160.4	26.6	0	0	0	115.8	H132 Q133 L134 L139	N130-H132 PolarHBondContact O-N 3.11Å; N130-Q133 PolarHBondContact O-N 2.85Å; N130-L134 PolarHBondContact ND2-N 3.16Å; N130-L134 PolarHBondContact ND2-O 3.33Å; N130-L134 VanDerWaalsContact ND2-O 3.12Å; N130-L134 WeakPolarHBondContact OD1-CB 3.26Å; N130-L134 PolarHBondContact OD1-N 2.77Å; N130-L139 HydrophobicContact CB-CD1 4.13Å; N130-L139 HydrophobicContact CB-CD2 4.3Å
131	V	98.2	Very high	97.4	Very high	24 Å²	24	63 Å²	63	15%	0.145	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.3	177.9	-58	0	0	0	0	113.4	F53 M120 V122 S128 D129 Q133 Y193	F53-V131 VanDerWaalsContact CZ-O 3.25Å; F53-V131 WeakPolarHBondContact CZ-O 3.44Å; M120-V131 HydrophobicContact CB-CG2 4.12Å; V122-V131 HydrophobicContact CG2-CG1 4.4Å; S128-V131 VanDerWaalsContact CB-CG1 3.4Å; D129-V131 VanDerWaalsContact C-N 3.27Å; D129-V131 PolarHBondContact O-N 2.63Å; D129-V131 VanDerWaalsContact O-N 3.11Å; V131-Q133 VanDerWaalsContact C-N 3.32Å; V131-Y193 HydrophobicContact CG1-CD1 4.26Å; V131-Y193 HydrophobicContact CG1-CE1 4.03Å; V131-Y193 HydrophobicContact CG1-CE2 4.39Å; V131-Y193 HydrophobicContact CG1-CG 4.5Å; V131-Y193 HydrophobicContact CG2-CD1 3.48Å; V131-Y193 VanDerWaalsContact CG2-CD1 3.48Å; V131-Y193 HydrophobicContact CG2-CD2 4.15Å; V131-Y193 HydrophobicContact CG2-CE1 4.1Å; V131-Y193 HydrophobicContact CG2-CG 3.49Å; V131-Y193 VanDerWaalsContact CG2-CG 3.49Å
132	H	98.1	Very high	97.2	Very high	14 Å²	14	64.4 Å²	64.4	7%	0.065	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2.2	176.1	-63.9	108.8	0	0	0	114	E5 E118 N130 L134 Y193 L195	E5-H132 IonicContact OE2-CE1 3.14Å; E5-H132 IonicContact OE2-ND1 2.61Å; E5-H132 PolarHBondContact OE2-ND1 2.89Å; E118-H132 PolarHBondContact O-NE2 2.97Å; N130-H132 PolarHBondContact O-N 3.11Å; H132-L134 HydrophobicContact CB-CD2 4.45Å; H132-L134 HydrophobicContact CB-CG 4.18Å; H132-L134 PolarHBondContact O-N 3.31Å; H132-Y193 PolarHBondContact CE1-O 2.77Å; H132-Y193 VanDerWaalsContact CE1-O 3.29Å; H132-Y193 PolarHBondContact NE2-O 2.75Å; H132-L195 HydrophobicContact CB-CD2 4.06Å; H132-L195 VanDerWaalsContact CE1-CB 3.5Å; H132-L195 WeakPolarHBondContact CE1-CB 3.2Å
133	Q	97.3	Very high	97.1	Very high	99 Å²	99	67.8 Å²	67.8	46%	0.463	37%	0.367	S	S	.	.			trans	51.1	41	180	-57.4	-179.7	26	0	0	113.3	F53 N54 N130 V131	F53-Q133 HydrophobicContact CE1-CG 4.49Å; F53-Q133 VanDerWaalsContact CE1-NE2 3.3Å; F53-Q133 HydrophobicContact CE2-CG 4.44Å; F53-Q133 HydrophobicContact CZ-CB 4.42Å; F53-Q133 HydrophobicContact CZ-CG 3.81Å; N54-Q133 PolarHBondContact ND2-OE1 2.66Å; N130-Q133 PolarHBondContact O-N 2.85Å; V131-Q133 VanDerWaalsContact C-N 3.32Å
134	L	97.4	Very high	97	Very high	24 Å²	24	66.3 Å²	66.3	13%	0.126	35%	0.349	C	S	.	.			trans	-63.8	144.4	178.2	-64.3	178.7	0	0	0	111.1	N130 H132 L138 L139 R142 L195	N130-L134 PolarHBondContact ND2-N 3.16Å; N130-L134 PolarHBondContact ND2-O 3.33Å; N130-L134 VanDerWaalsContact ND2-O 3.12Å; N130-L134 WeakPolarHBondContact OD1-CB 3.26Å; N130-L134 PolarHBondContact OD1-N 2.77Å; H132-L134 HydrophobicContact CB-CD2 4.45Å; H132-L134 HydrophobicContact CB-CG 4.18Å; H132-L134 PolarHBondContact O-N 3.31Å; L134-L138 HydrophobicContact CB-CB 4.25Å; L134-L138 HydrophobicContact CD2-CB 4.36Å; L134-L138 HydrophobicContact CD2-CD1 4.41Å; L134-L139 HydrophobicContact CB-CB 4.14Å; L134-L139 HydrophobicContact CB-CD1 4.45Å; L134-L139 HydrophobicContact CD1-CD1 4.44Å; L134-R142 HydrophobicContact CD1-CB 4.28Å; L134-R142 HydrophobicContact CD1-CG 4.44Å; L134-L195 HydrophobicContact CD1-CD1 4.11Å; L134-L195 HydrophobicContact CD1-CD2 4.14Å; L134-L195 HydrophobicContact CD2-CD2 3.72Å; L134-L195 HydrophobicContact CG-CD2 4.29Å
135	S	97	Very high	96.9	Very high	54 Å²	54	66.6 Å²	66.6	38%	0.378	35%	0.352	S	S	.	.			trans	-61.4	154.3	170.1	74.6	0	0	0	0	110.7	T137 L138 L139	S135-T137 PolarHBondContact O-N 3.49Å; S135-L138 PolarHBondContact O-N 2.96Å; S135-L138 PolarHBondContact OG-N 3.46Å; S135-L139 VanDerWaalsContact O-CB 3.32Å; S135-L139 WeakPolarHBondContact O-CB 3.44Å; S135-L139 PolarHBondContact O-N 3.43Å
136	P	97.9	Very high	96.8	Very high	96 Å²	96	69.2 Å²	69.2	62%	0.623	36%	0.362	S	S	*	.	H	α-helix	trans	-54.4	-29.1	180	-28.6	35.7	0	0	0	114.2	K140	P136-K140 VanDerWaalsContact O-CG 3.25Å; P136-K140 WeakPolarHBondContact O-CG 3.5Å; P136-K140 PolarHBondContact O-N 3.04Å
137	T	96.8	Very high	96.7	Very high	102 Å²	102	69.2 Å²	69.2	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-72.9	-47.5	177.8	-54.3	0	0	0	0	111.7	S135 K140	S135-T137 PolarHBondContact O-N 3.49Å; T137-K140 PolarHBondContact O-N 3.38Å
138	L	95.9	Very high	96.6	Very high	58 Å²	58	66 Å²	66	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-70.4	-37.4	178.4	-63.3	179.3	0	0	0	111.2	M1 I3 L134 S135 K140 L141 R142	M1-L138 HydrophobicContact CE-CD2 3.71Å; I3-L138 HydrophobicContact CD1-CB 4.24Å; I3-L138 HydrophobicContact CD1-CD2 3.82Å; L134-L138 HydrophobicContact CB-CB 4.25Å; L134-L138 HydrophobicContact CD2-CB 4.36Å; L134-L138 HydrophobicContact CD2-CD1 4.41Å; S135-L138 PolarHBondContact O-N 2.96Å; S135-L138 PolarHBondContact OG-N 3.46Å; L138-K140 VanDerWaalsContact C-N 3.27Å; L138-K140 PolarHBondContact O-N 3.26Å; L138-L141 PolarHBondContact O-N 3.43Å; L138-R142 PolarHBondContact O-N 3.16Å
139	L	97.3	Very high	96.5	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-36.8	177.6	-172.5	61.4	0	0	0	112.2	N130 L134 S135 L141 R142	N130-L139 HydrophobicContact CB-CD1 4.13Å; N130-L139 HydrophobicContact CB-CD2 4.3Å; L134-L139 HydrophobicContact CB-CB 4.14Å; L134-L139 HydrophobicContact CB-CD1 4.45Å; L134-L139 HydrophobicContact CD1-CD1 4.44Å; S135-L139 VanDerWaalsContact O-CB 3.32Å; S135-L139 WeakPolarHBondContact O-CB 3.44Å; S135-L139 PolarHBondContact O-N 3.43Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 PolarHBondContact O-N 3.33Å; L139-R142 WeakPolarHBondContact O-CB 3.21Å; L139-R142 PolarHBondContact O-N 3.47Å
140	K	96.5	Very high	96.3	Very high	185 Å²	185	58.9 Å²	58.9	80%	0.804	30%	0.304	S	S	*	.	H	α-helix	trans	-68.7	-25.1	174.2	-76.3	173.2	-176	-179	0	113.9	P136 T137 L138	P136-K140 VanDerWaalsContact O-CG 3.25Å; P136-K140 WeakPolarHBondContact O-CG 3.5Å; P136-K140 PolarHBondContact O-N 3.04Å; T137-K140 PolarHBondContact O-N 3.38Å; L138-K140 VanDerWaalsContact C-N 3.27Å; L138-K140 PolarHBondContact O-N 3.26Å
141	L	94.3	Very high	96	Very high	104 Å²	104	61.6 Å²	61.6	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-88.4	-16	177.7	-65.4	174.9	0	0	0	112.5	M1 I3 L138 L139 E143	M1-L141 HydrophobicContact CE-CD1 4.43Å; I3-L141 HydrophobicContact CD1-CB 4.31Å; L138-L141 PolarHBondContact O-N 3.43Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 PolarHBondContact O-N 3.33Å; L141-E143 PolarHBondContact O-N 2.87Å
142	R	95.6	Very high	95	Very high	35 Å²	35	64.3 Å²	64.3	13%	0.132	33%	0.329	C	S	.	.			trans	-68.6	120.9	-178.6	-179.2	-171.6	69.9	174	-3.1	110.6	I3 E5 D129 L134 L138 L139 V144 L195	I3-R142 HydrophobicContact CG2-CB 3.98Å; I3-R142 HydrophobicContact CG2-CG 4.18Å; I3-R142 WeakPolarHBondContact O-CA 3.19Å; E5-R142 HydrophobicContact CB-CG 3.93Å; E5-R142 VanDerWaalsContact CD-NH1 3.33Å; E5-R142 IonicContact OE1-CZ 3.28Å; E5-R142 IonicContact OE1-NH1 3.34Å; E5-R142 PolarHBondContact OE1-NH1 2.54Å; E5-R142 IonicContact OE2-CZ 2.68Å; E5-R142 IonicContact OE2-NH1 3.98Å; E5-R142 PolarHBondContact OE2-NH1 3.04Å; D129-R142 IonicContact OD1-CZ 3.9Å; D129-R142 IonicContact OD1-NH1 3.44Å; D129-R142 IonicContact OD1-NH2 3.92Å; D129-R142 PolarHBondContact OD1-NH2 2.55Å; L134-R142 HydrophobicContact CD1-CB 4.28Å; L134-R142 HydrophobicContact CD1-CG 4.44Å; L138-R142 PolarHBondContact O-N 3.16Å; L139-R142 WeakPolarHBondContact O-CB 3.21Å; L139-R142 PolarHBondContact O-N 3.47Å; R142-V144 HydrophobicContact CG-CG2 4.34Å; R142-L195 HydrophobicContact CG-CD1 4.2Å
143	E	95.3	Very high	93.8	Very high	108 Å²	108	66.9 Å²	66.9	51%	0.505	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.2	161.7	-175	-175.5	163	0	0	109.5	I3 I4 E5 L141 V145	I3-E143 PolarHBondContact O-N 3.29Å; I4-E143 CarbonylContact C-O 3.59Å; I4-E143 WeakPolarHBondContact CA-O 3.47Å; I4-E143 HydrophobicContact CG1-CB 4.32Å; E5-E143 PolarHBondContact N-O 3.23Å; L141-E143 PolarHBondContact O-N 2.87Å; E143-V145 HydrophobicContact CG-CG2 4.14Å
144	V	96.9	Very high	92.2	Very high	49 Å²	49	64 Å²	64	30%	0.297	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.5	174.9	178.7	0	0	0	0	109.1	E5 R7 R142 Y146	E5-V144 HydrophobicContact CB-CG2 4.49Å; E5-V144 WeakPolarHBondContact O-CA 3.4Å; R7-V144 HydrophobicContact CG-CG1 4.12Å; R142-V144 HydrophobicContact CG-CG2 4.34Å; V144-Y146 HydrophobicContact CG1-CD2 4.28Å; V144-Y146 HydrophobicContact CG1-CE2 3.77Å
145	V	95.8	Very high	90	Very high	24 Å²	24	68.8 Å²	68.8	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.1	-179.5	179.7	0	0	0	0	109.3	I4 E5 Y6 R7 E143 L147	I4-V145 HydrophobicContact CG2-CB 4.35Å; I4-V145 HydrophobicContact CG2-CG2 3.76Å; E5-V145 PolarHBondContact O-N 2.79Å; Y6-V145 CarbonylContact C-O 3.17Å; Y6-V145 VanDerWaalsContact CA-O 3.26Å; Y6-V145 WeakPolarHBondContact CA-O 3.41Å; Y6-V145 HydrophobicContact CD1-CB 3.78Å; Y6-V145 HydrophobicContact CD1-CG1 3.87Å; Y6-V145 HydrophobicContact CE1-CB 4.01Å; Y6-V145 HydrophobicContact CE1-CG1 3.99Å; Y6-V145 HydrophobicContact CE1-CG2 4.37Å; R7-V145 PolarHBondContact N-O 3.4Å; E143-V145 HydrophobicContact CG-CG2 4.14Å; V145-L147 HydrophobicContact CG1-CD2 3.82Å
146	Y	96	Very high	87.8	Confident	121 Å²	121	68.6 Å²	68.6	48%	0.475	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.5	172.2	-67.9	-96.1	0	0	0	109.7	R7 G126 V144	R7-Y146 HydrophobicContact CB-CD1 3.83Å; R7-Y146 HydrophobicContact CB-CE1 3.98Å; R7-Y146 HydrophobicContact CB-CG 4.43Å; R7-Y146 HydrophobicContact CG-CE1 4.4Å; R7-Y146 PolarHBondContact NH1-OH 3.49Å; R7-Y146 WeakPolarHBondContact O-CA 3.17Å; G126-Y146 WeakPolarHBondContact O-CE1 3.37Å; G126-Y146 PolarHBondContact O-OH 2.92Å; V144-Y146 HydrophobicContact CG1-CD2 4.28Å; V144-Y146 HydrophobicContact CG1-CE2 3.77Å
147	L	95	Very high	85.5	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.5	175.4	-57.9	-174.5	0	0	0	110	Y6 R7 I8 V145 K216 F219	Y6-L147 HydrophobicContact CD1-CD1 3.79Å; Y6-L147 HydrophobicContact CD1-CD2 4.07Å; Y6-L147 HydrophobicContact CD1-CG 3.98Å; Y6-L147 HydrophobicContact CG-CD1 4.27Å; R7-L147 PolarHBondContact O-N 2.85Å; I8-L147 HydrophobicContact CD1-CD1 4.09Å; I8-L147 HydrophobicContact CG1-CB 4.18Å; I8-L147 HydrophobicContact CG1-CD1 4.06Å; I8-L147 HydrophobicContact CG1-CG 4.35Å; V145-L147 HydrophobicContact CG1-CD2 3.82Å; L147-K216 HydrophobicContact CD2-CD 3.98Å; L147-K216 HydrophobicContact CD2-CG 3.69Å; L147-F219 HydrophobicContact CD1-CB 3.99Å
148	N	95.3	Very high	83.5	Confident	46 Å²	46	69.2 Å²	69.2	25%	0.246	39%	0.386	C	S	.	.			trans	-90.8	107.6	169.6	-179.6	-11.2	0	0	0	108.6	A150 E151 W182 M183 H220	N148-A150 PolarHBondContact O-N 3.16Å; N148-A150 VanDerWaalsContact O-N 3.16Å; N148-A150 WeakPolarHBondContact OD1-CA 3.49Å; N148-A150 WeakPolarHBondContact OD1-CB 3.17Å; N148-A150 PolarHBondContact OD1-N 2.98Å; N148-E151 HydrophobicContact CB-CB 4.12Å; N148-E151 VanDerWaalsContact O-CB 3.27Å; N148-E151 WeakPolarHBondContact O-CB 3.49Å; N148-E151 PolarHBondContact O-N 3.49Å; N148-W182 VanDerWaalsContact OD1-CZ2 3.24Å; N148-W182 WeakPolarHBondContact OD1-CZ2 3.5Å; N148-W182 PolarHBondContact OD1-NE1 3.25Å; N148-M183 HydrophobicContact CB-SD 3.7Å; N148-H220 PolarHBondContact O-NE2 3.38Å
149	I	95.2	Very high	81.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.1	-179.6	60.7	159.2	0	0	0	113.2	I8 L10 E151 P165 L178 W182 H223 R224 F227	I8-I149 HydrophobicContact CG2-CG2 3.89Å; L10-I149 HydrophobicContact CD2-CD1 3.71Å; L10-I149 HydrophobicContact CD2-CG2 4.47Å; I149-E151 VanDerWaalsContact C-N 3.35Å; I149-P165 HydrophobicContact CD1-CG 4.44Å; I149-L178 HydrophobicContact CD1-CD1 3.79Å; I149-L178 HydrophobicContact CG1-CD1 4.05Å; I149-W182 HydrophobicContact CD1-CH2 4.29Å; I149-W182 HydrophobicContact CG1-CH2 3.66Å; I149-W182 HydrophobicContact CG1-CZ2 3.67Å; I149-H223 HydrophobicContact CG2-CB 3.71Å; I149-R224 HydrophobicContact CB-CG 3.95Å; I149-R224 WeakPolarHBondContact O-CD 3.21Å; I149-R224 WeakPolarHBondContact O-CG 3.48Å; I149-R224 PolarHBondContact O-NH1 2.83Å; I149-F227 HydrophobicContact CD1-CB 3.81Å; I149-F227 HydrophobicContact CD1-CG 4.14Å
150	A	93.8	Very high	80.1	Confident	5 Å²	5	71.6 Å²	71.6	4%	0.041	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.3	173	0	0	0	0	0	112.3	N148 P165 K166 L178 W182	N148-A150 PolarHBondContact O-N 3.16Å; N148-A150 VanDerWaalsContact O-N 3.16Å; N148-A150 WeakPolarHBondContact OD1-CA 3.49Å; N148-A150 WeakPolarHBondContact OD1-CB 3.17Å; N148-A150 PolarHBondContact OD1-N 2.98Å; A150-P165 HydrophobicContact CB-CB 4.41Å; A150-K166 HydrophobicContact CB-CG 4.27Å; A150-K166 WeakPolarHBondContact O-CE 3.21Å; A150-L178 HydrophobicContact CB-CB 3.9Å; A150-W182 HydrophobicContact CB-CZ2 4.45Å
151	E	89.7	Confident	78.4	Confident	96 Å²	96	72.4 Å²	72.4	45%	0.449	40%	0.398	S	S	.	.	S	Bend	trans	-69.7	143.1	173.1	-168.4	174	-171.3	0	0	110	N148 I149 L153 H220 R224	N148-E151 HydrophobicContact CB-CB 4.12Å; N148-E151 VanDerWaalsContact O-CB 3.27Å; N148-E151 WeakPolarHBondContact O-CB 3.49Å; N148-E151 PolarHBondContact O-N 3.49Å; I149-E151 VanDerWaalsContact C-N 3.35Å; E151-L153 HydrophobicContact CG-CD2 4.19Å; E151-L153 PolarHBondContact O-N 3.33Å; E151-H220 PolarHBondContact O-CE1 3.18Å; E151-H220 PolarHBondContact O-NE2 3.42Å; E151-R224 PolarHBondContact O-NH1 3.1Å
152	D	79	Confident	77.2	Confident	82 Å²	82	72.4 Å²	72.4	44%	0.439	40%	0.399	S	S	.	.			trans	-88.8	105.1	172.7	-165.3	0.3	0	0	0	108.3	S154	D152-S154 VanDerWaalsContact CG-O 3.23Å; D152-S154 PolarHBondContact OD1-N 2.89Å; D152-S154 PolarHBondContact OD1-OG 3.4Å
153	L	72	Confident	76.3	Confident	68 Å²	68	71.7 Å²	71.7	36%	0.356	40%	0.398	S	S	.	.			trans	-90.8	-7.8	172.1	-61.8	-172.1	0	0	0	112.1	E151 K216 H220	E151-L153 HydrophobicContact CG-CD2 4.19Å; E151-L153 PolarHBondContact O-N 3.33Å; L153-K216 HydrophobicContact CD1-CG 4.28Å; L153-H220 HydrophobicContact CD1-CB 3.73Å
154	S	63.1	Low	76	Confident	38 Å²	38	67.7 Å²	67.7	27%	0.266	38%	0.38	S	S	.	.			trans	-97	143.9	178.5	80.5	0	0	0	0	109.8	D152 S156	D152-S154 VanDerWaalsContact CG-O 3.23Å; D152-S154 PolarHBondContact OD1-N 2.89Å; D152-S154 PolarHBondContact OD1-OG 3.4Å; S154-S156 VanDerWaalsContact C-N 3.27Å
155	S	51.6	Low	75.9	Confident	125 Å²	125	65.3 Å²	65.3	87%	0.874	37%	0.366	S	S	*	.			trans	-85.8	-3.5	169.3	55.9	0	0	0	0	112.2	A157	S155-A157 PolarHBondContact O-N 2.82Å; S155-A157 VanDerWaalsContact O-N 3.16Å
156	S	50.6	Low	75.7	Confident	50 Å²	50	68.1 Å²	68.1	35%	0.35	38%	0.376	S	S	.	.			trans	-83.7	96.3	-175.5	61.5	0	0	0	0	111	S154 S158	S154-S156 VanDerWaalsContact C-N 3.27Å; S156-S158 PolarHBondContact O-N 2.9Å
157	A	50.7	Low	75.5	Confident	109 Å²	109	68 Å²	68	90%	0.901	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	8.6	172	0	0	0	0	0	115.4	S155	S155-A157 PolarHBondContact O-N 2.82Å; S155-A157 VanDerWaalsContact O-N 3.16Å
158	S	53.1	Low	75.5	Confident	102 Å²	102	69 Å²	69	71%	0.713	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	7.2	-173.1	62.7	0	0	0	0	114.8	S156	S156-S158 PolarHBondContact O-N 2.9Å
159	E	58.3	Low	75.5	Confident	78 Å²	78	73.7 Å²	73.7	36%	0.364	40%	0.396	S	S	.	.	S	Bend	trans	-62.9	136.2	173.3	-73.6	-162.6	165.2	0	0	111.1	V163 R224	E159-V163 HydrophobicContact CB-CG2 4.06Å; E159-R224 IonicContact OE2-NH2 3.87Å
160	P	63.9	Low	75.6	Confident	76 Å²	76	73.7 Å²	73.7	49%	0.494	40%	0.396	S	S	.	.			trans	-55.7	140	174.6	-26.3	34.3	0	0	0	112.7	N162 V163	P160-N162 WeakPolarHBondContact CB-OD1 3.49Å; P160-N162 PolarHBondContact O-N 2.61Å; P160-V163 HydrophobicContact CB-CG2 4.2Å; P160-V163 HydrophobicContact CG-CG2 4.43Å; P160-V163 WeakPolarHBondContact O-CG2 3.47Å; P160-V163 PolarHBondContact O-N 2.76Å
161	R	62	Low	75.7	Confident	202 Å²	202	81.9 Å²	81.9	76%	0.762	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-58.2	-25.9	-179	-79.9	-172.5	-92.7	-172.8	-7	114.2	V163 F167	R161-V163 VanDerWaalsContact C-N 3.28Å; R161-V163 PolarHBondContact O-N 3.44Å; R161-F167 HydrophobicContact CB-CB 4.49Å
162	N	68.1	Low	76.1	Confident	105 Å²	105	82.9 Å²	82.9	56%	0.561	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-79.2	-5.7	178.9	66.1	-57	0	0	0	113.9	P160	P160-N162 WeakPolarHBondContact CB-OD1 3.49Å; P160-N162 PolarHBondContact O-N 2.61Å
163	V	76.2	Confident	77	Confident	19 Å²	19	80.8 Å²	80.8	12%	0.115	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-106.8	-1.2	173.1	-59.1	0	0	0	0	112.9	E159 P160 R161 P165 C228	E159-V163 HydrophobicContact CB-CG2 4.06Å; P160-V163 HydrophobicContact CB-CG2 4.2Å; P160-V163 HydrophobicContact CG-CG2 4.43Å; P160-V163 WeakPolarHBondContact O-CG2 3.47Å; P160-V163 PolarHBondContact O-N 2.76Å; R161-V163 VanDerWaalsContact C-N 3.28Å; R161-V163 PolarHBondContact O-N 3.44Å; V163-P165 WeakPolarHBondContact O-CD 3.33Å; V163-C228 PolarHBondContact O-SG 2.79Å
164	D	89	Confident	78.2	Confident	24 Å²	24	78.7 Å²	78.7	13%	0.128	42%	0.422	C	S	.	.			trans	-99.3	115.8	176.8	-175.2	2.7	0	0	0	111.6	K166 F167 Y168 R224	D164-K166 PolarHBondContact O-N 2.98Å; D164-K166 PolarHBondContact OD1-N 3.15Å; D164-K166 VanDerWaalsContact OD1-N 3.08Å; D164-F167 HydrophobicContact CB-CD2 3.94Å; D164-F167 PolarHBondContact O-N 2.97Å; D164-F167 WeakPolarHBondContact OD2-CD2 3.29Å; D164-F167 WeakPolarHBondContact OD2-CE2 3.48Å; D164-Y168 WeakPolarHBondContact O-CB 3.49Å; D164-Y168 PolarHBondContact O-N 3.21Å; D164-R224 IonicContact OD1-CZ 3.37Å; D164-R224 IonicContact OD1-NH1 2.68Å; D164-R224 IonicContact OD1-NH2 3.17Å; D164-R224 PolarHBondContact OD1-NH2 2.97Å; D164-R224 VanDerWaalsContact OD1-NH2 3.11Å
165	P	94.6	Very high	79.8	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.8	177	-26.8	36.2	0	0	0	114.9	I149 A150 V163 F167 L178 R224 F227	I149-P165 HydrophobicContact CD1-CG 4.44Å; A150-P165 HydrophobicContact CB-CB 4.41Å; V163-P165 WeakPolarHBondContact O-CD 3.33Å; P165-F167 PolarHBondContact O-N 3.45Å; P165-L178 HydrophobicContact CB-CB 4.26Å; P165-L178 HydrophobicContact CB-CD1 3.82Å; P165-L178 HydrophobicContact CB-CG 4.13Å; P165-L178 PolarHBondContact O-N 2.94Å; P165-R224 HydrophobicContact CG-CB 4.21Å; P165-R224 HydrophobicContact CG-CG 3.92Å; P165-F227 HydrophobicContact CB-CD1 3.67Å; P165-F227 HydrophobicContact CB-CE1 3.88Å; P165-F227 HydrophobicContact CG-CD1 4.02Å
166	K	92.5	Very high	82	Confident	82 Å²	82	73.8 Å²	73.8	36%	0.357	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.7	174.7	-66.6	-172.5	-170.6	178.3	0	113.9	A150 D164 P177 L178	A150-K166 HydrophobicContact CB-CG 4.27Å; A150-K166 WeakPolarHBondContact O-CE 3.21Å; D164-K166 PolarHBondContact O-N 2.98Å; D164-K166 PolarHBondContact OD1-N 3.15Å; D164-K166 VanDerWaalsContact OD1-N 3.08Å; K166-P177 WeakPolarHBondContact O-CB 3.5Å; K166-L178 WeakPolarHBondContact CA-O 3.47Å
167	F	92	Very high	84.1	Confident	118 Å²	118	73.6 Å²	73.6	52%	0.518	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-26.9	-176.1	-59.7	-69.5	0	0	0	113	R161 D164 P165	R161-F167 HydrophobicContact CB-CB 4.49Å; D164-F167 HydrophobicContact CB-CD2 3.94Å; D164-F167 PolarHBondContact O-N 2.97Å; D164-F167 WeakPolarHBondContact OD2-CD2 3.29Å; D164-F167 WeakPolarHBondContact OD2-CE2 3.48Å; P165-F167 PolarHBondContact O-N 3.45Å
168	Y	94.6	Very high	86.3	Confident	23 Å²	23	68.8 Å²	68.8	9%	0.09	34%	0.342	C	S	.	.			trans	-65.9	136.1	178.6	176.4	-98.2	0	0	0	112.3	D164 P177 F227 C228 M230 D231	D164-Y168 WeakPolarHBondContact O-CB 3.49Å; D164-Y168 PolarHBondContact O-N 3.21Å; Y168-P177 VanDerWaalsContact O-CA 3.22Å; Y168-P177 WeakPolarHBondContact O-CA 3.32Å; Y168-F227 AromaticContact CD1-CD1 3.96Å; Y168-F227 HydrophobicContact CD1-CD1 3.96Å; Y168-F227 AromaticContact CD1-CE1 3.61Å; Y168-F227 HydrophobicContact CD1-CE1 3.61Å; Y168-F227 HydrophobicContact CD1-CZ 4.08Å; Y168-F227 HydrophobicContact CE1-CE1 4.36Å; Y168-F227 WeakPolarHBondContact CE1-O 3.43Å; Y168-C228 HydrophobicContact CD2-CB 4.38Å; Y168-C228 WeakPolarHBondContact CE2-O 3.48Å; Y168-C228 HydrophobicContact CG-CB 4.22Å; Y168-C228 VanDerWaalsContact CZ-O 3.27Å; Y168-M230 HydrophobicContact CE1-CB 4.28Å; Y168-M230 WeakPolarHBondContact OH-CB 3.5Å; Y168-M230 PolarHBondContact OH-N 2.88Å; Y168-D231 PolarHBondContact OH-N 3.27Å
169	R	95.8	Very high	88.2	Confident	145 Å²	145	70.8 Å²	70.8	55%	0.547	33%	0.334	S	S	.	.			trans	-137.2	125.2	169.7	179.1	172.6	-169.2	-85.7	-0.8	108.6	E171 G174 R175 G176	R169-E171 PolarHBondContact O-N 3.39Å; R169-G174 PolarHBondContact NE-O 3.28Å; R169-G174 VanDerWaalsContact NH2-CA 3.35Å; R169-G174 PolarHBondContact NH2-O 2.62Å; R169-R175 CarbonylContact C-O 3.57Å; R169-R175 WeakPolarHBondContact CA-O 3.29Å; R169-G176 WeakPolarHBondContact CG-O 3.32Å
170	S	96.9	Very high	89.7	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.355	C	S	.	.			trans	-66.7	130	176.4	164.5	0	0	0	0	110.5	K172 T173 G174 R175 D231	S170-K172 PolarHBondContact OG-N 2.94Å; S170-T173 WeakPolarHBondContact CB-OG1 3.46Å; S170-T173 PolarHBondContact OG-N 3.21Å; S170-T173 PolarHBondContact OG-OG1 2.94Å; S170-G174 WeakPolarHBondContact O-CA 3.3Å; S170-G174 PolarHBondContact O-N 2.69Å; S170-R175 PolarHBondContact N-O 3.19Å; S170-D231 WeakPolarHBondContact CA-OD1 3.43Å; S170-D231 WeakPolarHBondContact CA-OD2 3.39Å; S170-D231 WeakPolarHBondContact CB-OD1 3.34Å; S170-D231 PolarHBondContact OG-OD1 2.9Å
171	E	97.1	Very high	91.2	Very high	177 Å²	177	74.8 Å²	74.8	83%	0.827	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-35.5	171.9	-64.4	-174.3	176.8	0	0	111.3	R169 D231	R169-E171 PolarHBondContact O-N 3.39Å; E171-D231 PolarHBondContact N-OD1 2.83Å; E171-D231 PolarHBondContact N-OD2 2.94Å
172	K	98	Very high	92.9	Very high	117 Å²	117	65.6 Å²	65.6	51%	0.509	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-36.9	-178.5	-70.2	-175.3	173.9	173.4	0	113.6	S170 D231 Y234	S170-K172 PolarHBondContact OG-N 2.94Å; K172-D231 WeakPolarHBondContact CB-OD1 3.42Å; K172-D231 HydrophobicContact CD-CB 4.47Å; K172-D231 WeakPolarHBondContact CE-O 3.35Å; K172-D231 HydrophobicContact CG-CB 4.46Å; K172-D231 PolarHBondContact N-OD1 2.81Å; K172-D231 PolarHBondContact NZ-O 3.28Å; K172-Y234 HydrophobicContact CB-CD1 4.11Å; K172-Y234 HydrophobicContact CD-CD1 4.2Å; K172-Y234 PolarHBondContact NZ-O 3.04Å
173	T	97.5	Very high	94.3	Very high	38 Å²	38	62 Å²	62	23%	0.233	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-17.3	-172.5	69.7	0	0	0	0	113.7	S170 R175 M230 Y234	S170-T173 WeakPolarHBondContact CB-OG1 3.46Å; S170-T173 PolarHBondContact OG-N 3.21Å; S170-T173 PolarHBondContact OG-OG1 2.94Å; T173-R175 PolarHBondContact O-N 2.73Å; T173-R175 WeakPolarHBondContact OG1-CB 3.33Å; T173-R175 WeakPolarHBondContact OG1-CG 3.26Å; T173-R175 PolarHBondContact OG1-N 3.15Å; T173-M230 HydrophobicContact CG2-CG 4.27Å; T173-M230 HydrophobicContact CG2-SD 3.67Å; T173-M230 PolarHBondContact OG1-SD 2.96Å; T173-Y234 HydrophobicContact CG2-CD1 3.96Å; T173-Y234 HydrophobicContact CG2-CD2 3.45Å; T173-Y234 VanDerWaalsContact CG2-CD2 3.45Å; T173-Y234 HydrophobicContact CG2-CE1 3.85Å; T173-Y234 HydrophobicContact CG2-CE2 3.33Å; T173-Y234 HydrophobicContact CG2-CG 3.77Å
174	G	97.1	Very high	95.2	Very high	25 Å²	25	67 Å²	67	26%	0.258	32%	0.321	S	S	.	.			trans	73	2.3	-173.4	0	0	0	0	0	115.2	R169 S170	R169-G174 PolarHBondContact NE-O 3.28Å; R169-G174 VanDerWaalsContact NH2-CA 3.35Å; R169-G174 PolarHBondContact NH2-O 2.62Å; S170-G174 WeakPolarHBondContact O-CA 3.3Å; S170-G174 PolarHBondContact O-N 2.69Å
175	R	97.2	Very high	95.6	Very high	38 Å²	38	69.7 Å²	69.7	14%	0.143	34%	0.339	C	S	.	.			trans	-72.3	147	179.7	-62.7	177.6	-164	160.7	7.1	111.6	P11 E16 R169 S170 T173 M230	P11-R175 VanDerWaalsContact O-CD 3.24Å; P11-R175 WeakPolarHBondContact O-CD 3.33Å; P11-R175 PolarHBondContact O-NH1 2.71Å; P11-R175 VanDerWaalsContact O-NH1 3.11Å; E16-R175 IonicContact OE1-CZ 2.87Å; E16-R175 IonicContact OE1-NH1 3.97Å; E16-R175 IonicContact OE1-NH2 3.53Å; E16-R175 PolarHBondContact OE1-NH2 3.08Å; E16-R175 IonicContact OE2-CZ 3.57Å; E16-R175 IonicContact OE2-NH1 3.52Å; E16-R175 PolarHBondContact OE2-NH1 2.72Å; E16-R175 IonicContact OE2-NH2 2.73Å; E16-R175 PolarHBondContact OE2-NH2 2.89Å; R169-R175 CarbonylContact C-O 3.57Å; R169-R175 WeakPolarHBondContact CA-O 3.29Å; S170-R175 PolarHBondContact N-O 3.19Å; T173-R175 PolarHBondContact O-N 2.73Å; T173-R175 WeakPolarHBondContact OG1-CB 3.33Å; T173-R175 WeakPolarHBondContact OG1-CG 3.26Å; T173-R175 PolarHBondContact OG1-N 3.15Å; R175-M230 HydrophobicContact CB-CE 4.34Å; R175-M230 HydrophobicContact CB-SD 4.27Å
176	G	96.1	Very high	95.7	Very high	22 Å²	22	70.4 Å²	70.4	23%	0.227	34%	0.344	C	S	.	.			trans	82.7	171.6	-171.9	0	0	0	0	0	113.2	R169	R169-G176 WeakPolarHBondContact CG-O 3.32Å
177	P	96	Very high	95.9	Very high	46 Å²	46	72.9 Å²	72.9	30%	0.299	36%	0.357	S	S	.	.			cis	-68	152.6	-4.1	28.2	-34.5	0	0	0	113.8	K166 Y168 R179	K166-P177 WeakPolarHBondContact O-CB 3.5Å; Y168-P177 VanDerWaalsContact O-CA 3.22Å; Y168-P177 WeakPolarHBondContact O-CA 3.32Å; P177-R179 HydrophobicContact CB-CG 4.4Å
178	L	96.6	Very high	96.2	Very high	7 Å²	7	68.9 Å²	68.9	4%	0.037	34%	0.342	C	S	.	.			trans	-86.5	109.9	177.3	-55	-171.2	0	0	0	110	P11 I149 A150 P165 K166 W182 F227	P11-L178 HydrophobicContact CG-CD1 4.44Å; P11-L178 HydrophobicContact CG-CD2 4.11Å; I149-L178 HydrophobicContact CD1-CD1 3.79Å; I149-L178 HydrophobicContact CG1-CD1 4.05Å; A150-L178 HydrophobicContact CB-CB 3.9Å; P165-L178 HydrophobicContact CB-CB 4.26Å; P165-L178 HydrophobicContact CB-CD1 3.82Å; P165-L178 HydrophobicContact CB-CG 4.13Å; P165-L178 PolarHBondContact O-N 2.94Å; K166-L178 WeakPolarHBondContact CA-O 3.47Å; L178-W182 HydrophobicContact CB-CB 4.3Å; L178-W182 HydrophobicContact CB-CD2 3.91Å; L178-W182 HydrophobicContact CB-CG 3.77Å; L178-W182 HydrophobicContact CD1-CD2 3.96Å; L178-W182 HydrophobicContact CD1-CE3 3.95Å; L178-W182 HydrophobicContact CD1-CH2 4.04Å; L178-W182 HydrophobicContact CD1-CZ2 4.05Å; L178-W182 HydrophobicContact CD1-CZ3 4Å; L178-W182 HydrophobicContact CD2-CB 4.44Å; L178-W182 HydrophobicContact CD2-CD2 4.15Å; L178-W182 HydrophobicContact CD2-CE3 3.98Å; L178-W182 HydrophobicContact CD2-CG 4.38Å; L178-W182 HydrophobicContact CG-CD2 4.21Å; L178-W182 HydrophobicContact CG-CE3 4.38Å; L178-W182 HydrophobicContact CG-CG 4.48Å; L178-F227 HydrophobicContact CD1-CD1 3.93Å; L178-F227 HydrophobicContact CD1-CD2 4.43Å; L178-F227 HydrophobicContact CD1-CE1 3.7Å; L178-F227 HydrophobicContact CD1-CE2 4.27Å; L178-F227 HydrophobicContact CD1-CG 4.28Å; L178-F227 HydrophobicContact CD1-CZ 3.9Å; L178-F227 HydrophobicContact CD2-CE1 4.17Å; L178-F227 HydrophobicContact CD2-CE2 4.15Å; L178-F227 HydrophobicContact CD2-CZ 3.65Å; L178-F227 HydrophobicContact CG-CD1 4.31Å; L178-F227 HydrophobicContact CG-CE1 3.58Å; L178-F227 HydrophobicContact CG-CE2 4.35Å; L178-F227 HydrophobicContact CG-CZ 3.61Å
179	R	93.4	Very high	96.4	Very high	144 Å²	144	68.8 Å²	68.8	54%	0.543	34%	0.344	S	S	.	.			trans	-134.5	161.1	-176.1	-62.4	-176.3	-179.9	168.9	1.3	110.9	P177 N181 W182	P177-R179 HydrophobicContact CB-CG 4.4Å; R179-N181 PolarHBondContact O-N 3.17Å; R179-W182 VanDerWaalsContact O-CB 3.29Å; R179-W182 WeakPolarHBondContact O-CB 3.49Å; R179-W182 PolarHBondContact O-N 2.85Å
180	D	90.1	Very high	96.5	Very high	151 Å²	151	61.9 Å²	61.9	81%	0.807	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-123.7	169.2	-49.7	-48.7	0	0	0	112.2	W182	D180-W182 VanDerWaalsContact C-N 3.31Å; D180-W182 PolarHBondContact O-N 2.89Å
181	N	94.8	Very high	96.6	Very high	88 Å²	88	61.9 Å²	61.9	47%	0.471	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	43	177.9	67.6	-34.5	0	0	0	112.7	R179 M183 E184 T185	R179-N181 PolarHBondContact O-N 3.17Å; N181-M183 PolarHBondContact O-N 3.2Å; N181-E184 WeakPolarHBondContact CA-OE2 3.42Å; N181-E184 HydrophobicContact CB-CB 4.44Å; N181-E184 VanDerWaalsContact CB-OE2 3.29Å; N181-E184 WeakPolarHBondContact CB-OE2 3.27Å; N181-E184 PolarHBondContact O-N 2.81Å; N181-T185 VanDerWaalsContact ND2-CG2 3.32Å; N181-T185 WeakPolarHBondContact ND2-CG2 3.42Å; N181-T185 PolarHBondContact O-N 3.18Å; N181-T185 PolarHBondContact O-OG1 3.5Å
182	W	97.2	Very high	96.7	Very high	9 Å²	9	53.4 Å²	53.4	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-33.3	-178.1	71.3	-88	0	0	0	112.4	V9 N148 I149 A150 L178 R179 D180 E184 T185 C186	V9-W182 HydrophobicContact CG1-CZ3 4.33Å; V9-W182 WeakPolarHBondContact O-CH2 3.39Å; N148-W182 VanDerWaalsContact OD1-CZ2 3.24Å; N148-W182 WeakPolarHBondContact OD1-CZ2 3.5Å; N148-W182 PolarHBondContact OD1-NE1 3.25Å; I149-W182 HydrophobicContact CD1-CH2 4.29Å; I149-W182 HydrophobicContact CG1-CH2 3.66Å; I149-W182 HydrophobicContact CG1-CZ2 3.67Å; A150-W182 HydrophobicContact CB-CZ2 4.45Å; L178-W182 HydrophobicContact CB-CB 4.3Å; L178-W182 HydrophobicContact CB-CD2 3.91Å; L178-W182 HydrophobicContact CB-CG 3.77Å; L178-W182 HydrophobicContact CD1-CD2 3.96Å; L178-W182 HydrophobicContact CD1-CE3 3.95Å; L178-W182 HydrophobicContact CD1-CH2 4.04Å; L178-W182 HydrophobicContact CD1-CZ2 4.05Å; L178-W182 HydrophobicContact CD1-CZ3 4Å; L178-W182 HydrophobicContact CD2-CB 4.44Å; L178-W182 HydrophobicContact CD2-CD2 4.15Å; L178-W182 HydrophobicContact CD2-CE3 3.98Å; L178-W182 HydrophobicContact CD2-CG 4.38Å; L178-W182 HydrophobicContact CG-CD2 4.21Å; L178-W182 HydrophobicContact CG-CE3 4.38Å; L178-W182 HydrophobicContact CG-CG 4.48Å; R179-W182 VanDerWaalsContact O-CB 3.29Å; R179-W182 WeakPolarHBondContact O-CB 3.49Å; R179-W182 PolarHBondContact O-N 2.85Å; D180-W182 VanDerWaalsContact C-N 3.31Å; D180-W182 PolarHBondContact O-N 2.89Å; W182-E184 PolarHBondContact O-N 3.29Å; W182-T185 WeakPolarHBondContact CA-OG1 3.38Å; W182-T185 PolarHBondContact O-N 3.3Å; W182-C186 HydrophobicContact CE3-CB 4.33Å; W182-C186 WeakPolarHBondContact O-CB 3.38Å; W182-C186 PolarHBondContact O-N 3.08Å; W182-C186 PolarHBondContact O-SG 2.84Å
183	M	96.7	Very high	96.7	Very high	29 Å²	29	47.9 Å²	47.9	14%	0.143	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-26.1	179.6	-71.3	178.6	69.5	0	0	112	V9 R125 N148 N181	V9-M183 HydrophobicContact CB-CE 3.75Å; V9-M183 HydrophobicContact CB-CG 4.36Å; V9-M183 HydrophobicContact CG2-CE 3.57Å; R125-M183 PolarHBondContact NH1-O 2.86Å; N148-M183 HydrophobicContact CB-SD 3.7Å; N181-M183 PolarHBondContact O-N 3.2Å
184	E	96.4	Very high	96.8	Very high	123 Å²	123	47.1 Å²	47.1	58%	0.575	25%	0.248	S	C	*	.	H	α-helix	trans	-90.6	-18.3	178.4	-61.3	83.2	172.4	0	0	113	N181 W182	N181-E184 WeakPolarHBondContact CA-OE2 3.42Å; N181-E184 HydrophobicContact CB-CB 4.44Å; N181-E184 VanDerWaalsContact CB-OE2 3.29Å; N181-E184 WeakPolarHBondContact CB-OE2 3.27Å; N181-E184 PolarHBondContact O-N 2.81Å; W182-E184 PolarHBondContact O-N 3.29Å
185	T	96.3	Very high	96.8	Very high	82 Å²	82	46 Å²	46	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-122.5	-15.3	-168.1	55.3	0	0	0	0	115	N181 W182	N181-T185 VanDerWaalsContact ND2-CG2 3.32Å; N181-T185 WeakPolarHBondContact ND2-CG2 3.42Å; N181-T185 PolarHBondContact O-N 3.18Å; N181-T185 PolarHBondContact O-OG1 3.5Å; W182-T185 WeakPolarHBondContact CA-OG1 3.38Å; W182-T185 PolarHBondContact O-N 3.3Å
186	C	97.1	Very high	96.8	Very high	15 Å²	15	44.3 Å²	44.3	10%	0.101	23%	0.23	C	C	.	.			trans	-65.4	142.6	-178	65.2	0	0	0	0	112.1	P11 R125 W182	P11-C186 HydrophobicContact CB-CB 3.86Å; R125-C186 PolarHBondContact NH1-O 3.48Å; R125-C186 PolarHBondContact NH1-SG 2.85Å; R125-C186 VanDerWaalsContact NH1-SG 3.44Å; R125-C186 PolarHBondContact NH2-O 2.82Å; W182-C186 HydrophobicContact CE3-CB 4.33Å; W182-C186 WeakPolarHBondContact O-CB 3.38Å; W182-C186 PolarHBondContact O-N 3.08Å; W182-C186 PolarHBondContact O-SG 2.84Å
187	E	97	Very high	96.7	Very high	134 Å²	134	44.2 Å²	44.2	63%	0.626	23%	0.225	S	C	*	.	S	Bend	trans	-139.3	138.3	170.6	-70.1	-61.1	161	0	0	109.3	R125	R125-E187 IonicContact NH2-OE1 3.69Å; R125-E187 PolarHBondContact NH2-OE1 3.19Å
188	P	98.1	Very high	96.4	Very high	33 Å²	33	42 Å²	42	21%	0.214	21%	0.211	C	C	.	.	S	Bend	cis	-64.9	168.6	-8.3	32.6	-36.6	0	0	0	111.6	P11 L12 T13	P11-P188 CarbonylContact C-O 3.6Å; P11-P188 VanDerWaalsContact C-O 3.24Å; P11-P188 WeakPolarHBondContact CA-O 3.39Å; L12-P188 PolarHBondContact N-O 2.81Å; T13-P188 HydrophobicContact CG2-CB 3.7Å; T13-P188 HydrophobicContact CG2-CG 3.81Å
189	V	98.4	Very high	95.8	Very high	21 Å²	21	44 Å²	44	13%	0.127	22%	0.222	C	C	.	.			trans	-134.7	142.9	177.6	69.3	0	0	0	0	112.6	V9 L10 L12 R125	V9-V189 HydrophobicContact CG1-CG2 3.58Å; L10-V189 WeakPolarHBondContact O-CA 3.49Å; L12-V189 CarbonylContact O-C 3.24Å; R125-V189 HydrophobicContact CG-CG1 4.12Å; R125-V189 HydrophobicContact CG-CG2 3.94Å
190	M	98.7	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	167.3	166.4	66.7	146.6	-73.5	0	0	110.4	V9 L10 L12 V14 Y17 H121 V122 D124 C192	V9-M190 CarbonylContact C-O 3.49Å; V9-M190 WeakPolarHBondContact CA-O 3.11Å; L10-M190 HydrophobicContact CB-CG 4.13Å; L10-M190 PolarHBondContact N-O 3.22Å; L10-M190 PolarHBondContact O-N 3.07Å; L12-M190 HydrophobicContact CB-CG 4.1Å; L12-M190 HydrophobicContact CB-SD 4.47Å; L12-M190 WeakPolarHBondContact O-CG 3.49Å; L12-M190 PolarHBondContact O-N 3.2Å; V14-M190 HydrophobicContact CG2-CB 3.95Å; Y17-M190 WeakPolarHBondContact CB-SD 3.14Å; Y17-M190 HydrophobicContact CD1-CE 4.24Å; Y17-M190 HydrophobicContact CD1-SD 4.18Å; Y17-M190 HydrophobicContact CD2-SD 4.08Å; Y17-M190 HydrophobicContact CG-CE 4.11Å; Y17-M190 HydrophobicContact CG-SD 3.56Å; Y17-M190 VanDerWaalsContact CG-SD 3.56Å; H121-M190 HydrophobicContact CB-CE 4.04Å; V122-M190 CarbonylContact O-C 3.58Å; V122-M190 VanDerWaalsContact O-CA 3.24Å; V122-M190 WeakPolarHBondContact O-CA 3.06Å; V122-M190 WeakPolarHBondContact O-CB 3.44Å; D124-M190 CarbonylContact O-C 3.55Å; D124-M190 WeakPolarHBondContact O-CA 3.45Å; M190-C192 HydrophobicContact CE-CB 4.45Å; M190-C192 WeakPolarHBondContact CE-SG 3.36Å
191	C	98.9	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.4	172.5	179.1	0	0	0	0	111.1	I8 V122 D124 G126 Y193	I8-C191 WeakPolarHBondContact O-CA 3.28Å; V122-C191 PolarHBondContact N-O 2.87Å; V122-C191 VanDerWaalsContact N-O 3.07Å; V122-C191 PolarHBondContact O-N 3.29Å; D124-C191 PolarHBondContact O-N 2.67Å; D124-C191 VanDerWaalsContact OD1-CB 3.31Å; D124-C191 WeakPolarHBondContact OD1-CB 3.39Å; G126-C191 WeakPolarHBondContact CA-SG 3.34Å; C191-Y193 HydrophobicContact CB-CD2 4.13Å; C191-Y193 HydrophobicContact CB-CE2 3.67Å; C191-Y193 VanDerWaalsContact SG-CE2 3.58Å
192	C	98.8	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.8	163.4	-53.5	0	0	0	0	108.4	I8 M190 K194	I8-C192 HydrophobicContact CB-CB 4.19Å; I8-C192 PolarHBondContact N-O 2.9Å; I8-C192 PolarHBondContact O-N 3.23Å; M190-C192 HydrophobicContact CE-CB 4.45Å; M190-C192 WeakPolarHBondContact CE-SG 3.36Å; C192-K194 HydrophobicContact CB-CG 4.39Å
193	Y	98.8	Very high	92.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.3	169.8	-69.7	-104.6	0	0	0	108.2	R7 T119 M120 V122 D124 G126 D127 S128 V131 H132 C191	R7-Y193 HydrophobicContact CG-CD1 3.89Å; R7-Y193 HydrophobicContact CG-CE1 4.04Å; T119-Y193 CarbonylContact C-O 3.5Å; T119-Y193 WeakPolarHBondContact CA-O 3.31Å; T119-Y193 WeakPolarHBondContact CG2-O 3.09Å; M120-Y193 PolarHBondContact N-O 2.93Å; M120-Y193 PolarHBondContact O-N 3.46Å; V122-Y193 HydrophobicContact CB-CD2 4.35Å; V122-Y193 HydrophobicContact CB-CE2 3.95Å; V122-Y193 HydrophobicContact CG2-CD2 4.04Å; V122-Y193 HydrophobicContact CG2-CE2 4Å; D124-Y193 WeakPolarHBondContact OD1-CE2 3.32Å; D124-Y193 PolarHBondContact OD1-OH 2.94Å; D124-Y193 PolarHBondContact OD2-OH 2.8Å; G126-Y193 WeakPolarHBondContact CA-OH 3.44Å; D127-Y193 PolarHBondContact N-OH 2.94Å; D127-Y193 VanDerWaalsContact N-OH 3.11Å; S128-Y193 WeakPolarHBondContact CB-OH 3.13Å; S128-Y193 PolarHBondContact N-OH 2.88Å; S128-Y193 WeakPolarHBondContact O-CE1 3.5Å; S128-Y193 PolarHBondContact O-OH 3.15Å; V131-Y193 HydrophobicContact CG1-CD1 4.26Å; V131-Y193 HydrophobicContact CG1-CE1 4.03Å; V131-Y193 HydrophobicContact CG1-CE2 4.39Å; V131-Y193 HydrophobicContact CG1-CG 4.5Å; V131-Y193 HydrophobicContact CG2-CD1 3.48Å; V131-Y193 VanDerWaalsContact CG2-CD1 3.48Å; V131-Y193 HydrophobicContact CG2-CD2 4.15Å; V131-Y193 HydrophobicContact CG2-CE1 4.1Å; V131-Y193 HydrophobicContact CG2-CG 3.49Å; V131-Y193 VanDerWaalsContact CG2-CG 3.49Å; H132-Y193 PolarHBondContact CE1-O 2.77Å; H132-Y193 VanDerWaalsContact CE1-O 3.29Å; H132-Y193 PolarHBondContact NE2-O 2.75Å; C191-Y193 HydrophobicContact CB-CD2 4.13Å; C191-Y193 HydrophobicContact CB-CE2 3.67Å; C191-Y193 VanDerWaalsContact SG-CE2 3.58Å
194	K	98.5	Very high	91.4	Very high	22 Å²	22	49 Å²	49	10%	0.096	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	101.5	-178.2	-65.6	-169.7	169.4	-70.1	0	110.9	E5 Y6 I8 T117 E118 T119 C192 F219 H223	E5-K194 CarbonylContact C-O 3.59Å; E5-K194 WeakPolarHBondContact CA-O 3.4Å; Y6-K194 PolarHBondContact N-O 3Å; Y6-K194 PolarHBondContact O-N 3.32Å; I8-K194 HydrophobicContact CD1-CD 3.92Å; I8-K194 HydrophobicContact CD1-CG 4.4Å; T117-K194 HydrophobicContact CG2-CB 4.48Å; E118-K194 CarbonylContact O-C 3.58Å; T119-K194 HydrophobicContact CG2-CG 3.73Å; T119-K194 PolarHBondContact OG1-NZ 3.26Å; C192-K194 HydrophobicContact CB-CG 4.39Å; K194-F219 HydrophobicContact CB-CD2 4.46Å; K194-F219 HydrophobicContact CB-CE2 3.99Å; K194-F219 HydrophobicContact CB-CZ 4.32Å; K194-F219 HydrophobicContact CD-CD1 3.82Å; K194-F219 HydrophobicContact CD-CD2 4.03Å; K194-F219 HydrophobicContact CD-CE1 3.78Å; K194-F219 HydrophobicContact CD-CE2 3.97Å; K194-F219 HydrophobicContact CD-CG 3.96Å; K194-F219 HydrophobicContact CD-CZ 3.86Å; K194-H223 WeakPolarHBondContact CE-CE1 3.4Å; K194-H223 WeakPolarHBondContact CE-NE2 3.45Å
195	L	97.9	Very high	90.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.6	174.9	-174.6	76.5	0	0	0	110.9	I3 I4 E5 T117 E118 H132 L134 R142	I3-L195 HydrophobicContact CG2-CD1 3.59Å; I3-L195 HydrophobicContact CG2-CG 4.41Å; I4-L195 CarbonylContact O-C 3.54Å; I4-L195 WeakPolarHBondContact O-CA 3.39Å; E5-L195 HydrophobicContact CB-CD1 3.94Å; T117-L195 CarbonylContact C-O 3.57Å; T117-L195 VanDerWaalsContact CA-O 3.3Å; T117-L195 WeakPolarHBondContact CA-O 3.41Å; E118-L195 PolarHBondContact N-O 3.02Å; E118-L195 PolarHBondContact O-N 2.93Å; H132-L195 HydrophobicContact CB-CD2 4.06Å; H132-L195 VanDerWaalsContact CE1-CB 3.5Å; H132-L195 WeakPolarHBondContact CE1-CB 3.2Å; L134-L195 HydrophobicContact CD1-CD1 4.11Å; L134-L195 HydrophobicContact CD1-CD2 4.14Å; L134-L195 HydrophobicContact CD2-CD2 3.72Å; L134-L195 HydrophobicContact CG-CD2 4.29Å; R142-L195 HydrophobicContact CG-CD1 4.2Å
196	V	96.2	Very high	89	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.9	175.8	-176.1	0	0	0	0	109.4	I3 I4 Y6 L115 K116 T117 V198 M215 F219	I3-V196 WeakPolarHBondContact CA-O 3.49Å; I4-V196 PolarHBondContact N-O 2.99Å; I4-V196 PolarHBondContact O-N 3.45Å; Y6-V196 HydrophobicContact CD2-CG2 4.11Å; Y6-V196 HydrophobicContact CE2-CG2 3.99Å; L115-V196 HydrophobicContact CD2-CG1 4.25Å; L115-V196 HydrophobicContact CG-CG1 4.26Å; K116-V196 WeakPolarHBondContact O-CA 3.36Å; T117-V196 HydrophobicContact CG2-CG2 4.16Å; V196-V198 HydrophobicContact CG1-CG2 3.94Å; V196-M215 HydrophobicContact CG1-CG 4.19Å; V196-M215 HydrophobicContact CG2-CB 4.3Å; V196-M215 HydrophobicContact CG2-CG 4.09Å; V196-F219 HydrophobicContact CG2-CE2 3.66Å; V196-F219 HydrophobicContact CG2-CZ 3.88Å
197	T	94.2	Very high	87.7	Confident	19 Å²	19	47.6 Å²	47.6	12%	0.117	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.2	172.6	-60	0	0	0	0	109.3	M1 L2 I3 L115 K116	M1-T197 HydrophobicContact CG-CG2 3.94Å; M1-T197 HydrophobicContact SD-CG2 3.86Å; L2-T197 WeakPolarHBondContact O-CA 3Å; I3-T197 HydrophobicContact CG1-CG2 4.38Å; L115-T197 WeakPolarHBondContact CA-O 3.25Å; K116-T197 PolarHBondContact N-O 3.07Å; K116-T197 PolarHBondContact O-N 3.38Å
198	V	89.5	Confident	86.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.2	179.5	-170.4	0	0	0	0	109.8	M1 L2 L115 V196 F200 I213	M1-V198 VanDerWaalsContact CA-O 3.26Å; M1-V198 WeakPolarHBondContact CA-O 3.46Å; L2-V198 HydrophobicContact CB-CB 4.19Å; L2-V198 HydrophobicContact CB-CG2 4.46Å; L2-V198 HydrophobicContact CD2-CG2 4.31Å; L2-V198 PolarHBondContact N-O 3.2Å; L2-V198 PolarHBondContact O-N 2.68Å; L115-V198 HydrophobicContact CD1-CG2 4.48Å; L115-V198 HydrophobicContact CG-CG2 4.26Å; V196-V198 HydrophobicContact CG1-CG2 3.94Å; V198-F200 HydrophobicContact CG1-CB 4.48Å; V198-I213 HydrophobicContact CG1-CD1 3.88Å; V198-I213 HydrophobicContact CG1-CG2 4.42Å; V198-I213 HydrophobicContact CG2-CG2 3.84Å
199	D	85	Confident	85.3	Confident	50 Å²	50	46 Å²	46	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.1	165.2	-170.4	17.4	0	0	0	108.7	Y114 K201	Y114-D199 PolarHBondContact N-O 3.03Å; Y114-D199 PolarHBondContact O-N 2.78Å; Y114-D199 VanDerWaalsContact O-O 3.11Å; D199-K201 WeakPolarHBondContact OD1-CE 3.3Å; D199-K201 IonicContact OD1-NZ 3.86Å; D199-K201 WeakPolarHBondContact OD2-CE 3.5Å; D199-K201 IonicContact OD2-NZ 2.81Å; D199-K201 PolarHBondContact OD2-NZ 3.01Å
200	F	81.9	Confident	84.1	Confident	6 Å²	6	46.6 Å²	46.6	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	120.1	-178.4	178.3	-96.7	0	0	0	110.1	M109 D112 F113 V198 W202 L205 Q206 V209	M109-F200 HydrophobicContact SD-CE2 3.83Å; D112-F200 CarbonylContact O-C 3.59Å; D112-F200 WeakPolarHBondContact O-CA 3.19Å; F113-F200 HydrophobicContact CB-CD2 4.29Å; F113-F200 AromaticContact CD2-CD2 3.96Å; F113-F200 HydrophobicContact CD2-CD2 3.96Å; V198-F200 HydrophobicContact CG1-CB 4.48Å; F200-W202 HydrophobicContact CD1-CB 4.26Å; F200-W202 HydrophobicContact CE1-CB 3.43Å; F200-W202 VanDerWaalsContact CE1-CB 3.43Å; F200-W202 HydrophobicContact CE2-CB 4.37Å; F200-W202 HydrophobicContact CE2-CE3 4.41Å; F200-W202 HydrophobicContact CZ-CB 3.54Å; F200-W202 HydrophobicContact CZ-CD2 4.41Å; F200-W202 AromaticContact CZ-CE3 3.78Å; F200-W202 HydrophobicContact CZ-CE3 3.78Å; F200-W202 HydrophobicContact CZ-CG 4.4Å; F200-L205 HydrophobicContact CE1-CB 4.2Å; F200-Q206 HydrophobicContact CD1-CB 4.43Å; F200-V209 HydrophobicContact CB-CG1 4.45Å; F200-V209 HydrophobicContact CD1-CB 3.81Å; F200-V209 HydrophobicContact CD1-CG1 3.8Å; F200-V209 HydrophobicContact CD1-CG2 4.29Å; F200-V209 HydrophobicContact CD2-CG1 3.79Å; F200-V209 HydrophobicContact CE1-CB 3.57Å; F200-V209 HydrophobicContact CE1-CG1 3.8Å; F200-V209 HydrophobicContact CE1-CG2 3.53Å; F200-V209 HydrophobicContact CE2-CB 4.41Å; F200-V209 HydrophobicContact CE2-CG1 3.78Å; F200-V209 HydrophobicContact CE2-CG2 4.29Å; F200-V209 HydrophobicContact CG-CB 4.28Å; F200-V209 HydrophobicContact CG-CG1 3.74Å; F200-V209 HydrophobicContact CZ-CB 3.85Å; F200-V209 HydrophobicContact CZ-CG1 3.74Å; F200-V209 HydrophobicContact CZ-CG2 3.48Å; F200-V209 VanDerWaalsContact CZ-CG2 3.48Å
201	K	78.1	Confident	82.8	Confident	114 Å²	114	51.8 Å²	51.8	50%	0.496	26%	0.255	S	S	.	.			trans	-116.3	62.5	-167.4	-63.9	177.2	-177.5	133.1	0	111.6	D112 D199	D112-K201 HydrophobicContact CB-CB 4.19Å; D112-K201 PolarHBondContact O-N 2.92Å; D199-K201 WeakPolarHBondContact OD1-CE 3.3Å; D199-K201 IonicContact OD1-NZ 3.86Å; D199-K201 WeakPolarHBondContact OD2-CE 3.5Å; D199-K201 IonicContact OD2-NZ 2.81Å; D199-K201 PolarHBondContact OD2-NZ 3.01Å
202	W	73.8	Confident	81.4	Confident	92 Å²	92	55.4 Å²	55.4	35%	0.348	27%	0.271	S	S	.	.			trans	-122.4	118.6	173.1	-147.6	0.6	0	0	0	112.7	L80 Y108 F200 G204 L205 Q206	L80-W202 HydrophobicContact CB-CH2 3.74Å; L80-W202 HydrophobicContact CB-CZ3 4.09Å; L80-W202 HydrophobicContact CD1-CH2 4.23Å; L80-W202 HydrophobicContact CD1-CZ3 4.07Å; L80-W202 HydrophobicContact CD2-CH2 4.18Å; L80-W202 HydrophobicContact CG-CH2 4.27Å; Y108-W202 HydrophobicContact CE1-CH2 4.39Å; Y108-W202 WeakPolarHBondContact OH-CH2 3.34Å; F200-W202 HydrophobicContact CD1-CB 4.26Å; F200-W202 HydrophobicContact CE1-CB 3.43Å; F200-W202 VanDerWaalsContact CE1-CB 3.43Å; F200-W202 HydrophobicContact CE2-CB 4.37Å; F200-W202 HydrophobicContact CE2-CE3 4.41Å; F200-W202 HydrophobicContact CZ-CB 3.54Å; F200-W202 HydrophobicContact CZ-CD2 4.41Å; F200-W202 AromaticContact CZ-CE3 3.78Å; F200-W202 HydrophobicContact CZ-CE3 3.78Å; F200-W202 HydrophobicContact CZ-CG 4.4Å; W202-G204 PolarHBondContact O-N 3.03Å; W202-L205 HydrophobicContact CB-CB 4.45Å; W202-L205 HydrophobicContact CD2-CD1 3.86Å; W202-L205 HydrophobicContact CE3-CD1 3.74Å; W202-L205 HydrophobicContact CG-CD1 4.36Å; W202-L205 HydrophobicContact CZ3-CD1 4.1Å; W202-L205 PolarHBondContact O-N 2.68Å; W202-Q206 PolarHBondContact O-N 2.89Å
203	W	69.8	Low	80	Confident	248 Å²	248	56.1 Å²	56.1	94%	0.939	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	126.4	-176.9	-171.4	81.1	0	0	0	111.6	L205	W203-L205 VanDerWaalsContact C-N 3.28Å; W203-L205 PolarHBondContact O-N 2.76Å
204	G	75.1	Confident	78.8	Confident	65 Å²	65	60.7 Å²	60.7	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-7.6	178.7	0	0	0	0	0	116.1	W202	W202-G204 PolarHBondContact O-N 3.03Å
205	L	73.3	Confident	78.1	Confident	30 Å²	30	61.4 Å²	61.4	16%	0.157	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-10.3	-179.7	-68.6	173.2	0	0	0	114.1	L80 F200 W202 W203 S207 R208 V209	L80-L205 HydrophobicContact CD1-CD1 3.41Å; L80-L205 VanDerWaalsContact CD1-CD1 3.41Å; L80-L205 HydrophobicContact CD1-CD2 4.46Å; L80-L205 HydrophobicContact CD2-CD1 4.41Å; F200-L205 HydrophobicContact CE1-CB 4.2Å; W202-L205 HydrophobicContact CB-CB 4.45Å; W202-L205 HydrophobicContact CD2-CD1 3.86Å; W202-L205 HydrophobicContact CE3-CD1 3.74Å; W202-L205 HydrophobicContact CG-CD1 4.36Å; W202-L205 HydrophobicContact CZ3-CD1 4.1Å; W202-L205 PolarHBondContact O-N 2.68Å; W203-L205 VanDerWaalsContact C-N 3.28Å; W203-L205 PolarHBondContact O-N 2.76Å; L205-S207 PolarHBondContact O-N 2.98Å; L205-R208 PolarHBondContact O-N 3.26Å; L205-R208 VanDerWaalsContact O-N 3.08Å; L205-V209 HydrophobicContact CB-CG2 4.3Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 3.28Å
206	Q	69.7	Low	77.6	Confident	81 Å²	81	64.8 Å²	64.8	38%	0.379	31%	0.314	S	S	.	.	H	α-helix	trans	-51.3	-53.5	-173.6	-173.7	-176.5	-18.3	0	0	113.5	F200 W202 R208 V209 E210	F200-Q206 HydrophobicContact CD1-CB 4.43Å; W202-Q206 PolarHBondContact O-N 2.89Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.12Å; Q206-V209 PolarHBondContact O-N 2.87Å; Q206-E210 HydrophobicContact CG-CG 4.25Å; Q206-E210 PolarHBondContact NE2-OE1 3Å; Q206-E210 WeakPolarHBondContact O-CB 3.49Å; Q206-E210 WeakPolarHBondContact O-CG 3.48Å; Q206-E210 PolarHBondContact O-N 2.77Å
207	S	71.2	Confident	77.1	Confident	79 Å²	79	69.2 Å²	69.2	55%	0.552	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-34.2	-179.5	57.7	0	0	0	0	113.2	L205 N211	L205-S207 PolarHBondContact O-N 2.98Å; S207-N211 VanDerWaalsContact O-CB 3.3Å; S207-N211 WeakPolarHBondContact O-CB 3.39Å; S207-N211 VanDerWaalsContact O-CG 3.25Å; S207-N211 PolarHBondContact O-N 3.03Å; S207-N211 VanDerWaalsContact O-N 3.09Å; S207-N211 PolarHBondContact O-ND2 3.23Å
208	R	73.1	Confident	76.8	Confident	123 Å²	123	73.3 Å²	73.3	46%	0.464	35%	0.351	S	S	.	.	H	α-helix	trans	-70.2	-38.9	178.4	-172.4	177.1	-177.3	167.7	2.7	111.4	W76 L205 Q206 F212	W76-R208 VanDerWaalsContact CD1-NH2 3.29Å; W76-R208 HydrophobicContact CH2-CG 4.31Å; W76-R208 HydrophobicContact CZ2-CG 4.24Å; L205-R208 PolarHBondContact O-N 3.26Å; L205-R208 VanDerWaalsContact O-N 3.08Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.12Å; R208-F212 VanDerWaalsContact O-CB 3.32Å; R208-F212 WeakPolarHBondContact O-CB 3.37Å; R208-F212 PolarHBondContact O-N 2.93Å; R208-F212 VanDerWaalsContact O-N 3.09Å
209	V	71.2	Confident	77	Confident	12 Å²	12	74.1 Å²	74.1	7%	0.073	36%	0.355	C	S	.	.	H	α-helix	trans	-76.2	-44.5	179.9	171.5	0	0	0	0	110.6	W76 F200 L205 Q206 N211 F212 I213	W76-V209 HydrophobicContact CH2-CG2 3.59Å; W76-V209 HydrophobicContact CZ3-CG2 3.88Å; F200-V209 HydrophobicContact CB-CG1 4.45Å; F200-V209 HydrophobicContact CD1-CB 3.81Å; F200-V209 HydrophobicContact CD1-CG1 3.8Å; F200-V209 HydrophobicContact CD1-CG2 4.29Å; F200-V209 HydrophobicContact CD2-CG1 3.79Å; F200-V209 HydrophobicContact CE1-CB 3.57Å; F200-V209 HydrophobicContact CE1-CG1 3.8Å; F200-V209 HydrophobicContact CE1-CG2 3.53Å; F200-V209 HydrophobicContact CE2-CB 4.41Å; F200-V209 HydrophobicContact CE2-CG1 3.78Å; F200-V209 HydrophobicContact CE2-CG2 4.29Å; F200-V209 HydrophobicContact CG-CB 4.28Å; F200-V209 HydrophobicContact CG-CG1 3.74Å; F200-V209 HydrophobicContact CZ-CB 3.85Å; F200-V209 HydrophobicContact CZ-CG1 3.74Å; F200-V209 HydrophobicContact CZ-CG2 3.48Å; F200-V209 VanDerWaalsContact CZ-CG2 3.48Å; L205-V209 HydrophobicContact CB-CG2 4.3Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 3.28Å; Q206-V209 PolarHBondContact O-N 2.87Å; V209-N211 VanDerWaalsContact C-N 3.31Å; V209-N211 PolarHBondContact O-N 3.11Å; V209-F212 CarbonylContact O-C 3.54Å; V209-F212 PolarHBondContact O-N 3.04Å; V209-I213 HydrophobicContact CG1-CD1 3.38Å; V209-I213 HydrophobicContact CG1-CG1 4.08Å; V209-I213 WeakPolarHBondContact O-CB 3.32Å; V209-I213 WeakPolarHBondContact O-CG1 3.45Å; V209-I213 PolarHBondContact O-N 2.78Å
210	E	72.2	Confident	77.3	Confident	33 Å²	33	72.1 Å²	72.1	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-40.9	174.4	-73.4	175.4	162.4	0	0	111.5	M1 L2 Q206 I213	M1-E210 PolarHBondContact N-OE1 3.36Å; L2-E210 HydrophobicContact CD2-CB 4.49Å; Q206-E210 HydrophobicContact CG-CG 4.25Å; Q206-E210 PolarHBondContact NE2-OE1 3Å; Q206-E210 WeakPolarHBondContact O-CB 3.49Å; Q206-E210 WeakPolarHBondContact O-CG 3.48Å; Q206-E210 PolarHBondContact O-N 2.77Å; E210-I213 CarbonylContact O-C 3.56Å; E210-I213 PolarHBondContact O-N 2.78Å
211	N	71.2	Confident	77.7	Confident	109 Å²	109	73 Å²	73	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-68.7	-32	174.1	-77.7	-42.6	0	0	0	113.6	S207 V209 Q214	S207-N211 VanDerWaalsContact O-CB 3.3Å; S207-N211 WeakPolarHBondContact O-CB 3.39Å; S207-N211 VanDerWaalsContact O-CG 3.25Å; S207-N211 PolarHBondContact O-N 3.03Å; S207-N211 VanDerWaalsContact O-N 3.09Å; S207-N211 PolarHBondContact O-ND2 3.23Å; V209-N211 VanDerWaalsContact C-N 3.31Å; V209-N211 PolarHBondContact O-N 3.11Å; N211-Q214 WeakPolarHBondContact O-CG 3.4Å
212	F	69.8	Low	78.4	Confident	76 Å²	76	69 Å²	69	33%	0.333	33%	0.332	S	S	.	.	H	α-helix	trans	-74.3	-36.5	176.4	172.8	-105.5	0	0	0	111.8	P74 W76 R208 V209 Q214 A266	P74-F212 HydrophobicContact CG-CD2 3.8Å; P74-F212 HydrophobicContact CG-CE1 4.17Å; P74-F212 HydrophobicContact CG-CE2 3.16Å; P74-F212 HydrophobicContact CG-CZ 3.39Å; W76-F212 HydrophobicContact CZ2-CB 4.23Å; W76-F212 HydrophobicContact CZ2-CD1 4.46Å; W76-F212 HydrophobicContact CZ2-CG 4.18Å; R208-F212 VanDerWaalsContact O-CB 3.32Å; R208-F212 WeakPolarHBondContact O-CB 3.37Å; R208-F212 PolarHBondContact O-N 2.93Å; R208-F212 VanDerWaalsContact O-N 3.09Å; V209-F212 CarbonylContact O-C 3.54Å; V209-F212 PolarHBondContact O-N 3.04Å; F212-Q214 PolarHBondContact O-N 2.92Å; F212-A266 HydrophobicContact CE2-CB 3.63Å; F212-A266 HydrophobicContact CZ-CB 3.44Å; F212-A266 VanDerWaalsContact CZ-CB 3.44Å
213	I	69.6	Low	79.5	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.077	32%	0.315	C	S	.	.			trans	-80.8	56.2	175.3	-54.8	166.5	0	0	0	109	F113 L115 V198 V209 E210 M215	F113-I213 HydrophobicContact CE2-CD1 3.81Å; L115-I213 HydrophobicContact CD1-CG2 3.41Å; L115-I213 VanDerWaalsContact CD1-CG2 3.41Å; V198-I213 HydrophobicContact CG1-CD1 3.88Å; V198-I213 HydrophobicContact CG1-CG2 4.42Å; V198-I213 HydrophobicContact CG2-CG2 3.84Å; V209-I213 HydrophobicContact CG1-CD1 3.38Å; V209-I213 HydrophobicContact CG1-CG1 4.08Å; V209-I213 WeakPolarHBondContact O-CB 3.32Å; V209-I213 WeakPolarHBondContact O-CG1 3.45Å; V209-I213 PolarHBondContact O-N 2.78Å; E210-I213 CarbonylContact O-C 3.56Å; E210-I213 PolarHBondContact O-N 2.78Å; I213-M215 HydrophobicContact CG2-CE 3.84Å
214	Q	73	Confident	80.7	Confident	95 Å²	95	53.3 Å²	53.3	44%	0.444	27%	0.273	S	S	.	.			trans	-98	109.2	162.9	-72.7	-172.2	7	0	0	108.2	N211 F212 K216	N211-Q214 WeakPolarHBondContact O-CG 3.4Å; F212-Q214 PolarHBondContact O-N 2.92Å; Q214-K216 PolarHBondContact O-N 2.83Å; Q214-K216 VanDerWaalsContact O-N 3.08Å
215	M	83.8	Confident	81.6	Confident	37 Å²	37	51.3 Å²	51.3	18%	0.182	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-0.5	-179.7	-63.6	-66.2	99.5	0	0	113.1	Y6 L115 V196 I213 R217 L218 F219	Y6-M215 HydrophobicContact CE2-CB 4.18Å; Y6-M215 PolarHBondContact OH-N 2.83Å; L115-M215 HydrophobicContact CD1-CE 4.49Å; L115-M215 HydrophobicContact CD1-SD 4.48Å; V196-M215 HydrophobicContact CG1-CG 4.19Å; V196-M215 HydrophobicContact CG2-CB 4.3Å; V196-M215 HydrophobicContact CG2-CG 4.09Å; I213-M215 HydrophobicContact CG2-CE 3.84Å; M215-R217 PolarHBondContact O-N 3.06Å; M215-L218 PolarHBondContact O-N 3.37Å; M215-L218 HydrophobicContact SD-CD2 4.01Å; M215-F219 HydrophobicContact CB-CD2 3.71Å; M215-F219 HydrophobicContact CB-CE1 4.18Å; M215-F219 HydrophobicContact CB-CE2 3.33Å; M215-F219 HydrophobicContact CB-CG 4.3Å; M215-F219 HydrophobicContact CB-CZ 3.58Å; M215-F219 HydrophobicContact CG-CE2 4.18Å; M215-F219 HydrophobicContact CG-CZ 4.05Å; M215-F219 WeakPolarHBondContact O-CB 3.48Å; M215-F219 WeakPolarHBondContact O-CD2 3.3Å; M215-F219 WeakPolarHBondContact O-CG 3.47Å; M215-F219 PolarHBondContact O-N 3.09Å
216	K	88.7	Confident	82.8	Confident	72 Å²	72	49.9 Å²	49.9	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-47.6	-53.8	-179.3	180	166.1	-176.5	-177.4	0	112.5	Y6 L147 L153 Q214 H220	Y6-K216 HydrophobicContact CE1-CB 3.77Å; Y6-K216 HydrophobicContact CE1-CG 4.41Å; Y6-K216 PolarHBondContact OH-N 3.09Å; L147-K216 HydrophobicContact CD2-CD 3.98Å; L147-K216 HydrophobicContact CD2-CG 3.69Å; L153-K216 HydrophobicContact CD1-CG 4.28Å; Q214-K216 PolarHBondContact O-N 2.83Å; Q214-K216 VanDerWaalsContact O-N 3.08Å; K216-H220 WeakPolarHBondContact O-CB 3.37Å; K216-H220 PolarHBondContact O-N 2.96Å
217	R	85.6	Confident	84.1	Confident	98 Å²	98	46 Å²	46	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-63.9	-47.2	-178.1	-177.4	178.3	174.2	-152.7	-4.3	111.4	M215 H220 V221 T265 D268	M215-R217 PolarHBondContact O-N 3.06Å; R217-H220 PolarHBondContact O-N 3.47Å; R217-V221 HydrophobicContact CG-CG2 4.42Å; R217-V221 WeakPolarHBondContact O-CB 3.36Å; R217-V221 WeakPolarHBondContact O-CG2 3.32Å; R217-V221 PolarHBondContact O-N 2.86Å; R217-T265 PolarHBondContact NH1-O 2.81Å; R217-T265 VanDerWaalsContact NH1-O 3.11Å; R217-D268 PolarHBondContact NH1-O 2.87Å
218	L	87.6	Confident	85.3	Confident	104 Å²	104	42.5 Å²	42.5	55%	0.545	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-49.3	-179.9	-179.9	65.5	0	0	0	111.3	M215 F222	M215-L218 PolarHBondContact O-N 3.37Å; M215-L218 HydrophobicContact SD-CD2 4.01Å; L218-F222 VanDerWaalsContact O-CB 3.25Å; L218-F222 WeakPolarHBondContact O-CB 3.24Å; L218-F222 PolarHBondContact O-N 2.96Å
219	F	93.6	Very high	86.4	Confident	18 Å²	18	37.2 Å²	37.2	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-44	177	-64.4	-26.3	0	0	0	111.3	Y6 I8 T117 L147 K194 V196 M215 V221 F222 H223	Y6-F219 AromaticContact CD2-CD2 3.63Å; Y6-F219 HydrophobicContact CD2-CD2 3.63Å; Y6-F219 AromaticContact CD2-CE2 3.54Å; Y6-F219 HydrophobicContact CD2-CE2 3.54Å; Y6-F219 HydrophobicContact CE2-CD2 4.11Å; Y6-F219 AromaticContact CE2-CE2 3.94Å; Y6-F219 HydrophobicContact CE2-CE2 3.94Å; Y6-F219 AromaticContact CG-CD2 3.89Å; Y6-F219 HydrophobicContact CG-CD2 3.89Å; Y6-F219 HydrophobicContact CG-CE2 4.25Å; I8-F219 HydrophobicContact CD1-CB 3.89Å; I8-F219 HydrophobicContact CD1-CG 4.39Å; T117-F219 HydrophobicContact CG2-CZ 4.11Å; L147-F219 HydrophobicContact CD1-CB 3.99Å; K194-F219 HydrophobicContact CB-CD2 4.46Å; K194-F219 HydrophobicContact CB-CE2 3.99Å; K194-F219 HydrophobicContact CB-CZ 4.32Å; K194-F219 HydrophobicContact CD-CD1 3.82Å; K194-F219 HydrophobicContact CD-CD2 4.03Å; K194-F219 HydrophobicContact CD-CE1 3.78Å; K194-F219 HydrophobicContact CD-CE2 3.97Å; K194-F219 HydrophobicContact CD-CG 3.96Å; K194-F219 HydrophobicContact CD-CZ 3.86Å; V196-F219 HydrophobicContact CG2-CE2 3.66Å; V196-F219 HydrophobicContact CG2-CZ 3.88Å; M215-F219 HydrophobicContact CB-CD2 3.71Å; M215-F219 HydrophobicContact CB-CE1 4.18Å; M215-F219 HydrophobicContact CB-CE2 3.33Å; M215-F219 HydrophobicContact CB-CG 4.3Å; M215-F219 HydrophobicContact CB-CZ 3.58Å; M215-F219 HydrophobicContact CG-CE2 4.18Å; M215-F219 HydrophobicContact CG-CZ 4.05Å; M215-F219 WeakPolarHBondContact O-CB 3.48Å; M215-F219 WeakPolarHBondContact O-CD2 3.3Å; M215-F219 WeakPolarHBondContact O-CG 3.47Å; M215-F219 PolarHBondContact O-N 3.09Å; F219-V221 PolarHBondContact O-N 3.25Å; F219-F222 PolarHBondContact O-N 2.89Å; F219-H223 PolarHBondContact O-N 3.07Å; F219-H223 PolarHBondContact O-ND1 3.28Å
220	H	91.8	Very high	87.7	Confident	7 Å²	7	36.6 Å²	36.6	3%	0.032	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-52.1	178.1	-179.2	-102.2	0	0	0	112.2	N148 E151 L153 K216 R217 R224	N148-H220 PolarHBondContact O-NE2 3.38Å; E151-H220 PolarHBondContact O-CE1 3.18Å; E151-H220 PolarHBondContact O-NE2 3.42Å; L153-H220 HydrophobicContact CD1-CB 3.73Å; K216-H220 WeakPolarHBondContact O-CB 3.37Å; K216-H220 PolarHBondContact O-N 2.96Å; R217-H220 PolarHBondContact O-N 3.47Å; H220-R224 WeakPolarHBondContact CE1-CD 3.29Å; H220-R224 VanDerWaalsContact O-CG 3.26Å; H220-R224 WeakPolarHBondContact O-CG 3.21Å; H220-R224 PolarHBondContact O-N 2.84Å
221	V	89.2	Confident	89	Confident	24 Å²	24	36.7 Å²	36.7	15%	0.145	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-51	177.1	167	0	0	0	0	111.2	R217 F219 H223 R224 E225 M264	R217-V221 HydrophobicContact CG-CG2 4.42Å; R217-V221 WeakPolarHBondContact O-CB 3.36Å; R217-V221 WeakPolarHBondContact O-CG2 3.32Å; R217-V221 PolarHBondContact O-N 2.86Å; F219-V221 PolarHBondContact O-N 3.25Å; V221-H223 VanDerWaalsContact C-N 3.33Å; V221-H223 PolarHBondContact O-N 3.11Å; V221-R224 WeakPolarHBondContact O-CB 3.3Å; V221-R224 PolarHBondContact O-N 2.79Å; V221-E225 WeakPolarHBondContact O-CG 3.23Å; V221-E225 PolarHBondContact O-N 2.87Å; V221-M264 HydrophobicContact CB-CE 4.21Å; V221-M264 HydrophobicContact CG1-CE 3.31Å; V221-M264 HydrophobicContact CG1-SD 3.99Å; V221-M264 HydrophobicContact CG2-CE 3.91Å; V221-M264 HydrophobicContact CG2-SD 4.16Å
222	F	94.1	Very high	90.2	Very high	30 Å²	30	35.7 Å²	35.7	13%	0.132	17%	0.168	C	C	.	.	H	α-helix	trans	-55.6	-48.7	-177	175.8	-94.3	0	0	0	111.6	Q21 V25 L28 L218 F219 E225 V226	Q21-F222 HydrophobicContact CB-CZ 4.3Å; V25-F222 HydrophobicContact CB-CE2 4.49Å; V25-F222 HydrophobicContact CG2-CE2 3.56Å; V25-F222 HydrophobicContact CG2-CZ 3.81Å; L28-F222 HydrophobicContact CD1-CB 4.42Å; L28-F222 HydrophobicContact CD1-CD2 3.32Å; L28-F222 HydrophobicContact CD1-CE2 3.9Å; L28-F222 HydrophobicContact CD1-CG 4.27Å; L218-F222 VanDerWaalsContact O-CB 3.25Å; L218-F222 WeakPolarHBondContact O-CB 3.24Å; L218-F222 PolarHBondContact O-N 2.96Å; F219-F222 PolarHBondContact O-N 2.89Å; F222-E225 PolarHBondContact O-N 2.84Å; F222-V226 HydrophobicContact CD1-CG2 3.94Å; F222-V226 HydrophobicContact CE1-CG2 3.47Å; F222-V226 VanDerWaalsContact CE1-CG2 3.47Å; F222-V226 HydrophobicContact CE2-CG2 4.35Å; F222-V226 HydrophobicContact CZ-CG2 3.68Å; F222-V226 WeakPolarHBondContact O-CG2 3.34Å; F222-V226 PolarHBondContact O-N 2.89Å
223	H	96.7	Very high	91.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-76.2	-24.6	-175.7	-62.9	90	0	0	0	113	I8 L10 Y17 I149 K194 F219 V221 F227	I8-H223 WeakPolarHBondContact CD1-CE1 3.36Å; I8-H223 HydrophobicContact CG2-CB 3.98Å; L10-H223 HydrophobicContact CD2-CB 4.23Å; Y17-H223 PolarHBondContact OH-CD2 3.34Å; Y17-H223 PolarHBondContact OH-NE2 2.8Å; Y17-H223 VanDerWaalsContact OH-NE2 3.07Å; I149-H223 HydrophobicContact CG2-CB 3.71Å; K194-H223 WeakPolarHBondContact CE-CE1 3.4Å; K194-H223 WeakPolarHBondContact CE-NE2 3.45Å; F219-H223 PolarHBondContact O-N 3.07Å; F219-H223 PolarHBondContact O-ND1 3.28Å; V221-H223 VanDerWaalsContact C-N 3.33Å; V221-H223 PolarHBondContact O-N 3.11Å; H223-F227 PolarHBondContact O-N 2.85Å; H223-F227 VanDerWaalsContact O-N 3.14Å
224	R	95.1	Very high	93	Very high	12 Å²	12	35.2 Å²	35.2	5%	0.045	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-49.9	166.2	-76.8	174.2	67	93.2	-5.1	110.9	I149 E151 E159 D164 P165 H220 V221 F227 C228	I149-R224 HydrophobicContact CB-CG 3.95Å; I149-R224 WeakPolarHBondContact O-CD 3.21Å; I149-R224 WeakPolarHBondContact O-CG 3.48Å; I149-R224 PolarHBondContact O-NH1 2.83Å; E151-R224 PolarHBondContact O-NH1 3.1Å; E159-R224 IonicContact OE2-NH2 3.87Å; D164-R224 IonicContact OD1-CZ 3.37Å; D164-R224 IonicContact OD1-NH1 2.68Å; D164-R224 IonicContact OD1-NH2 3.17Å; D164-R224 PolarHBondContact OD1-NH2 2.97Å; D164-R224 VanDerWaalsContact OD1-NH2 3.11Å; P165-R224 HydrophobicContact CG-CB 4.21Å; P165-R224 HydrophobicContact CG-CG 3.92Å; H220-R224 WeakPolarHBondContact CE1-CD 3.29Å; H220-R224 VanDerWaalsContact O-CG 3.26Å; H220-R224 WeakPolarHBondContact O-CG 3.21Å; H220-R224 PolarHBondContact O-N 2.84Å; V221-R224 WeakPolarHBondContact O-CB 3.3Å; V221-R224 PolarHBondContact O-N 2.79Å; R224-F227 PolarHBondContact O-N 3.37Å; R224-C228 WeakPolarHBondContact O-CB 3.2Å; R224-C228 PolarHBondContact O-N 2.91Å; R224-C228 PolarHBondContact O-SG 2.81Å; R224-C228 VanDerWaalsContact O-SG 3.38Å
225	E	93.8	Very high	94.1	Very high	22 Å²	22	33.9 Å²	33.9	10%	0.103	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-41.4	179.9	-67	-77.3	-149.4	0	0	111.3	L28 R31 V221 F222 F227 C228 W229	L28-E225 HydrophobicContact CD2-CG 4.44Å; R31-E225 IonicContact NH1-OE1 3.64Å; R31-E225 PolarHBondContact NH1-OE1 3.32Å; R31-E225 VanDerWaalsContact NH1-OE1 3.14Å; V221-E225 WeakPolarHBondContact O-CG 3.23Å; V221-E225 PolarHBondContact O-N 2.87Å; F222-E225 PolarHBondContact O-N 2.84Å; E225-F227 VanDerWaalsContact C-N 3.28Å; E225-F227 PolarHBondContact O-N 2.82Å; E225-C228 PolarHBondContact O-N 2.85Å; E225-W229 HydrophobicContact CB-CD2 4.07Å; E225-W229 HydrophobicContact CB-CE3 3.98Å; E225-W229 HydrophobicContact CB-CH2 3.79Å; E225-W229 HydrophobicContact CB-CZ2 3.7Å; E225-W229 HydrophobicContact CB-CZ3 3.9Å; E225-W229 HydrophobicContact CG-CH2 4.15Å; E225-W229 HydrophobicContact CG-CZ2 3.85Å; E225-W229 VanDerWaalsContact O-CB 3.24Å; E225-W229 WeakPolarHBondContact O-CB 3.39Å; E225-W229 PolarHBondContact O-N 2.91Å; E225-W229 WeakPolarHBondContact OE2-CZ2 3.17Å; E225-W229 PolarHBondContact OE2-NE1 3.4Å
226	V	97.6	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-51.5	-48.5	171.7	168.5	0	0	0	0	111.3	L12 Y17 A20 S24 F222 W233	L12-V226 HydrophobicContact CD1-CG1 4.15Å; Y17-V226 HydrophobicContact CD2-CG1 4.25Å; Y17-V226 HydrophobicContact CE2-CG1 4.07Å; A20-V226 HydrophobicContact CB-CG1 3.87Å; S24-V226 WeakPolarHBondContact OG-CG2 3.29Å; F222-V226 HydrophobicContact CD1-CG2 3.94Å; F222-V226 HydrophobicContact CE1-CG2 3.47Å; F222-V226 VanDerWaalsContact CE1-CG2 3.47Å; F222-V226 HydrophobicContact CE2-CG2 4.35Å; F222-V226 HydrophobicContact CZ-CG2 3.68Å; F222-V226 WeakPolarHBondContact O-CG2 3.34Å; F222-V226 PolarHBondContact O-N 2.89Å; V226-W233 PolarHBondContact O-NE1 3.1Å
227	F	97.8	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-48.1	179.7	177.3	-106	0	0	0	112.3	P11 I149 P165 Y168 L178 H223 R224 E225 W229 M230	P11-F227 HydrophobicContact CB-CE2 4.42Å; P11-F227 HydrophobicContact CG-CD2 3.44Å; P11-F227 VanDerWaalsContact CG-CD2 3.44Å; P11-F227 HydrophobicContact CG-CE2 3.24Å; P11-F227 HydrophobicContact CG-CZ 4.22Å; I149-F227 HydrophobicContact CD1-CB 3.81Å; I149-F227 HydrophobicContact CD1-CG 4.14Å; P165-F227 HydrophobicContact CB-CD1 3.67Å; P165-F227 HydrophobicContact CB-CE1 3.88Å; P165-F227 HydrophobicContact CG-CD1 4.02Å; Y168-F227 AromaticContact CD1-CD1 3.96Å; Y168-F227 HydrophobicContact CD1-CD1 3.96Å; Y168-F227 AromaticContact CD1-CE1 3.61Å; Y168-F227 HydrophobicContact CD1-CE1 3.61Å; Y168-F227 HydrophobicContact CD1-CZ 4.08Å; Y168-F227 HydrophobicContact CE1-CE1 4.36Å; Y168-F227 WeakPolarHBondContact CE1-O 3.43Å; L178-F227 HydrophobicContact CD1-CD1 3.93Å; L178-F227 HydrophobicContact CD1-CD2 4.43Å; L178-F227 HydrophobicContact CD1-CE1 3.7Å; L178-F227 HydrophobicContact CD1-CE2 4.27Å; L178-F227 HydrophobicContact CD1-CG 4.28Å; L178-F227 HydrophobicContact CD1-CZ 3.9Å; L178-F227 HydrophobicContact CD2-CE1 4.17Å; L178-F227 HydrophobicContact CD2-CE2 4.15Å; L178-F227 HydrophobicContact CD2-CZ 3.65Å; L178-F227 HydrophobicContact CG-CD1 4.31Å; L178-F227 HydrophobicContact CG-CE1 3.58Å; L178-F227 HydrophobicContact CG-CE2 4.35Å; L178-F227 HydrophobicContact CG-CZ 3.61Å; H223-F227 PolarHBondContact O-N 2.85Å; H223-F227 VanDerWaalsContact O-N 3.14Å; R224-F227 PolarHBondContact O-N 3.37Å; E225-F227 VanDerWaalsContact C-N 3.28Å; E225-F227 PolarHBondContact O-N 2.82Å; F227-W229 PolarHBondContact O-N 2.71Å; F227-M230 HydrophobicContact CD2-CE 3.61Å; F227-M230 HydrophobicContact CE2-CE 3.63Å; F227-M230 VanDerWaalsContact O-CB 3.27Å; F227-M230 WeakPolarHBondContact O-CB 3.36Å; F227-M230 PolarHBondContact O-N 3.35Å; F227-M230 VanDerWaalsContact O-N 3.15Å
228	C	96.3	Very high	95.9	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-71.1	-13.9	-177.5	-68.2	0	0	0	0	113.7	V163 Y168 R224 E225	V163-C228 PolarHBondContact O-SG 2.79Å; Y168-C228 HydrophobicContact CD2-CB 4.38Å; Y168-C228 WeakPolarHBondContact CE2-O 3.48Å; Y168-C228 HydrophobicContact CG-CB 4.22Å; Y168-C228 VanDerWaalsContact CZ-O 3.27Å; R224-C228 WeakPolarHBondContact O-CB 3.2Å; R224-C228 PolarHBondContact O-N 2.91Å; R224-C228 PolarHBondContact O-SG 2.81Å; R224-C228 VanDerWaalsContact O-SG 3.38Å; E225-C228 PolarHBondContact O-N 2.85Å
229	W	97	Very high	96.4	Very high	11 Å²	11	33.9 Å²	33.9	4%	0.042	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	11.9	173.1	-62.8	-16.5	0	0	0	114	W23 E27 L28 R31 E225 F227 D231 N232 W233	W23-W229 HydrophobicContact CE3-CB 4.33Å; W23-W229 HydrophobicContact CE3-CE3 4.04Å; W23-W229 HydrophobicContact CH2-CB 4.25Å; W23-W229 HydrophobicContact CH2-CD2 4.46Å; W23-W229 HydrophobicContact CH2-CE3 4.49Å; W23-W229 HydrophobicContact CH2-CG 4.4Å; W23-W229 HydrophobicContact CZ3-CB 3.55Å; W23-W229 AromaticContact CZ3-CD2 3.7Å; W23-W229 HydrophobicContact CZ3-CD2 3.7Å; W23-W229 AromaticContact CZ3-CE3 3.44Å; W23-W229 HydrophobicContact CZ3-CE3 3.44Å; W23-W229 VanDerWaalsContact CZ3-CE3 3.44Å; W23-W229 AromaticContact CZ3-CG 3.8Å; W23-W229 HydrophobicContact CZ3-CG 3.8Å; W23-W229 HydrophobicContact CZ3-CZ3 4.3Å; E27-W229 HydrophobicContact CB-CE3 4.4Å; E27-W229 HydrophobicContact CB-CH2 4.13Å; E27-W229 HydrophobicContact CB-CZ3 3.8Å; L28-W229 HydrophobicContact CD1-CH2 4.43Å; L28-W229 HydrophobicContact CD1-CZ3 4.39Å; L28-W229 HydrophobicContact CD2-CH2 3.68Å; L28-W229 HydrophobicContact CD2-CZ3 4.4Å; L28-W229 HydrophobicContact CG-CH2 3.58Å; L28-W229 HydrophobicContact CG-CZ3 3.82Å; R31-W229 VanDerWaalsContact NH1-CZ2 3.31Å; E225-W229 HydrophobicContact CB-CD2 4.07Å; E225-W229 HydrophobicContact CB-CE3 3.98Å; E225-W229 HydrophobicContact CB-CH2 3.79Å; E225-W229 HydrophobicContact CB-CZ2 3.7Å; E225-W229 HydrophobicContact CB-CZ3 3.9Å; E225-W229 HydrophobicContact CG-CH2 4.15Å; E225-W229 HydrophobicContact CG-CZ2 3.85Å; E225-W229 VanDerWaalsContact O-CB 3.24Å; E225-W229 WeakPolarHBondContact O-CB 3.39Å; E225-W229 PolarHBondContact O-N 2.91Å; E225-W229 WeakPolarHBondContact OE2-CZ2 3.17Å; E225-W229 PolarHBondContact OE2-NE1 3.4Å; F227-W229 PolarHBondContact O-N 2.71Å; W229-D231 PolarHBondContact O-N 3.12Å; W229-D231 VanDerWaalsContact O-N 3.1Å; W229-N232 WeakPolarHBondContact O-CB 3.17Å; W229-N232 PolarHBondContact O-N 2.86Å; W229-W233 PolarHBondContact O-N 2.96Å; W229-W233 PolarHBondContact O-NE1 3.27Å
230	M	98.1	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-48.3	-44	-177.2	-176	178.7	-51.6	0	0	113.3	L12 Y168 T173 R175 F227 N232 W233 Y234	L12-M230 HydrophobicContact CD2-CE 3.55Å; Y168-M230 HydrophobicContact CE1-CB 4.28Å; Y168-M230 WeakPolarHBondContact OH-CB 3.5Å; Y168-M230 PolarHBondContact OH-N 2.88Å; T173-M230 HydrophobicContact CG2-CG 4.27Å; T173-M230 HydrophobicContact CG2-SD 3.67Å; T173-M230 PolarHBondContact OG1-SD 2.96Å; R175-M230 HydrophobicContact CB-CE 4.34Å; R175-M230 HydrophobicContact CB-SD 4.27Å; F227-M230 HydrophobicContact CD2-CE 3.61Å; F227-M230 HydrophobicContact CE2-CE 3.63Å; F227-M230 VanDerWaalsContact O-CB 3.27Å; F227-M230 WeakPolarHBondContact O-CB 3.36Å; F227-M230 PolarHBondContact O-N 3.35Å; F227-M230 VanDerWaalsContact O-N 3.15Å; M230-N232 PolarHBondContact O-N 2.8Å; M230-N232 VanDerWaalsContact O-N 3.13Å; M230-W233 VanDerWaalsContact CA-CE2 3.43Å; M230-W233 HydrophobicContact CB-CH2 4.33Å; M230-W233 HydrophobicContact CB-CZ2 3.73Å; M230-W233 HydrophobicContact CE-CZ2 4.43Å; M230-W233 HydrophobicContact CG-CH2 3.72Å; M230-W233 HydrophobicContact CG-CZ2 3.65Å; M230-W233 HydrophobicContact CG-CZ3 4.48Å; M230-W233 PolarHBondContact O-N 3.19Å; M230-Y234 HydrophobicContact CG-CD2 4.34Å; M230-Y234 WeakPolarHBondContact O-CB 3.29Å; M230-Y234 PolarHBondContact O-N 3.31Å
231	D	98	Very high	96.9	Very high	34 Å²	34	35.5 Å²	35.5	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-17.8	-178.6	-69.9	-22.2	0	0	0	114	Y168 S170 E171 K172 W229	Y168-D231 PolarHBondContact OH-N 3.27Å; S170-D231 WeakPolarHBondContact CA-OD1 3.43Å; S170-D231 WeakPolarHBondContact CA-OD2 3.39Å; S170-D231 WeakPolarHBondContact CB-OD1 3.34Å; S170-D231 PolarHBondContact OG-OD1 2.9Å; E171-D231 PolarHBondContact N-OD1 2.83Å; E171-D231 PolarHBondContact N-OD2 2.94Å; K172-D231 WeakPolarHBondContact CB-OD1 3.42Å; K172-D231 HydrophobicContact CD-CB 4.47Å; K172-D231 WeakPolarHBondContact CE-O 3.35Å; K172-D231 HydrophobicContact CG-CB 4.46Å; K172-D231 PolarHBondContact N-OD1 2.81Å; K172-D231 PolarHBondContact NZ-O 3.28Å; W229-D231 PolarHBondContact O-N 3.12Å; W229-D231 VanDerWaalsContact O-N 3.1Å
232	N	98.1	Very high	97.3	Very high	88 Å²	88	37 Å²	37	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-83.1	-42.5	177.6	-58.1	-50	0	0	0	112.4	W23 W229 M230	W23-N232 HydrophobicContact CH2-CB 3.26Å; W23-N232 HydrophobicContact CZ2-CB 3.35Å; W23-N232 HydrophobicContact CZ3-CB 3.95Å; W229-N232 WeakPolarHBondContact O-CB 3.17Å; W229-N232 PolarHBondContact O-N 2.86Å; M230-N232 PolarHBondContact O-N 2.8Å; M230-N232 VanDerWaalsContact O-N 3.13Å
233	W	98.2	Very high	97.5	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.011	22%	0.221	C	C	.	.	H	α-helix	trans	-97.2	-16.4	-176.2	58.9	-107.4	0	0	0	114	L12 E16 A20 W23 V226 W229 M230 G235 L236	L12-W233 HydrophobicContact CD1-CH2 4.42Å; L12-W233 HydrophobicContact CD1-CZ2 4.4Å; L12-W233 HydrophobicContact CD2-CH2 3.54Å; L12-W233 HydrophobicContact CD2-CZ2 3.96Å; E16-W233 HydrophobicContact CB-CZ3 4.27Å; A20-W233 HydrophobicContact CB-CD2 3.47Å; A20-W233 VanDerWaalsContact CB-CD2 3.47Å; A20-W233 HydrophobicContact CB-CE3 3.68Å; A20-W233 HydrophobicContact CB-CG 4.15Å; A20-W233 HydrophobicContact CB-CH2 3.8Å; A20-W233 HydrophobicContact CB-CZ2 3.53Å; A20-W233 HydrophobicContact CB-CZ3 3.85Å; W23-W233 HydrophobicContact CB-CB 3.74Å; W23-W233 HydrophobicContact CD2-CB 3.8Å; W23-W233 HydrophobicContact CE3-CB 4.14Å; W23-W233 AromaticContact CE3-CD1 3.85Å; W23-W233 HydrophobicContact CE3-CG 4.41Å; W23-W233 HydrophobicContact CG-CB 3.6Å; V226-W233 PolarHBondContact O-NE1 3.1Å; W229-W233 PolarHBondContact O-N 2.96Å; W229-W233 PolarHBondContact O-NE1 3.27Å; M230-W233 VanDerWaalsContact CA-CE2 3.43Å; M230-W233 HydrophobicContact CB-CH2 4.33Å; M230-W233 HydrophobicContact CB-CZ2 3.73Å; M230-W233 HydrophobicContact CE-CZ2 4.43Å; M230-W233 HydrophobicContact CG-CH2 3.72Å; M230-W233 HydrophobicContact CG-CZ2 3.65Å; M230-W233 HydrophobicContact CG-CZ3 4.48Å; M230-W233 PolarHBondContact O-N 3.19Å; W233-G235 PolarHBondContact O-N 2.61Å; W233-L236 HydrophobicContact CB-CD1 4.27Å; W233-L236 WeakPolarHBondContact O-CB 3.37Å; W233-L236 WeakPolarHBondContact O-CG 3.33Å; W233-L236 PolarHBondContact O-N 2.82Å; W233-L236 VanDerWaalsContact O-N 3.12Å
234	Y	98.3	Very high	97.6	Very high	78 Å²	78	42.4 Å²	42.4	31%	0.306	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	123.9	-177.9	-168.1	-90.9	0	0	0	111.5	E16 K172 T173 M230	E16-Y234 HydrophobicContact CG-CE2 4.45Å; E16-Y234 WeakPolarHBondContact OE1-CE2 3.32Å; K172-Y234 HydrophobicContact CB-CD1 4.11Å; K172-Y234 HydrophobicContact CD-CD1 4.2Å; K172-Y234 PolarHBondContact NZ-O 3.04Å; T173-Y234 HydrophobicContact CG2-CD1 3.96Å; T173-Y234 HydrophobicContact CG2-CD2 3.45Å; T173-Y234 VanDerWaalsContact CG2-CD2 3.45Å; T173-Y234 HydrophobicContact CG2-CE1 3.85Å; T173-Y234 HydrophobicContact CG2-CE2 3.33Å; T173-Y234 HydrophobicContact CG2-CG 3.77Å; M230-Y234 HydrophobicContact CG-CD2 4.34Å; M230-Y234 WeakPolarHBondContact O-CB 3.29Å; M230-Y234 PolarHBondContact O-N 3.31Å
235	G	97.7	Very high	97.7	Very high	68 Å²	68	43 Å²	43	70%	0.701	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.3	-2.9	-177.7	0	0	0	0	0	114.9	W233	W233-G235 PolarHBondContact O-N 2.61Å
236	L	98.6	Very high	97.9	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.257	25%	0.249	S	C	.	.			trans	-71	145.7	172.8	-62	-177.9	0	0	0	111.1	V19 W23 W233 D240 I241 I244	V19-L236 HydrophobicContact CG1-CB 3.87Å; W23-L236 VanDerWaalsContact CD1-CD1 3.41Å; W23-L236 HydrophobicContact CG-CD1 4.3Å; W233-L236 HydrophobicContact CB-CD1 4.27Å; W233-L236 WeakPolarHBondContact O-CB 3.37Å; W233-L236 WeakPolarHBondContact O-CG 3.33Å; W233-L236 PolarHBondContact O-N 2.82Å; W233-L236 VanDerWaalsContact O-N 3.12Å; L236-D240 HydrophobicContact CB-CB 4.24Å; L236-D240 HydrophobicContact CD2-CB 4.21Å; L236-I241 HydrophobicContact CD1-CD1 4.22Å; L236-I244 HydrophobicContact CD1-CD1 3.96Å
237	T	98.3	Very high	97.9	Very high	72 Å²	72	50.8 Å²	50.8	44%	0.442	27%	0.271	S	S	.	.			trans	-90.7	166.5	173.6	68	0	0	0	0	111	D239 D240 I241	T237-D239 PolarHBondContact O-N 2.89Å; T237-D239 PolarHBondContact OG1-N 2.68Å; T237-D240 WeakPolarHBondContact CB-OD2 3.48Å; T237-D240 PolarHBondContact N-OD2 3.17Å; T237-D240 WeakPolarHBondContact O-CB 3.33Å; T237-D240 PolarHBondContact O-N 3.29Å; T237-D240 PolarHBondContact OG1-N 3.49Å; T237-D240 PolarHBondContact OG1-OD2 3.36Å; T237-I241 WeakPolarHBondContact O-CG1 3.43Å; T237-I241 PolarHBondContact O-N 2.96Å; T237-I241 VanDerWaalsContact O-N 3.12Å
238	M	97.6	Very high	97.9	Very high	59 Å²	59	51 Å²	51	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-28.7	173	-74.7	-58.2	-55.3	0	0	113	Q18 V19 L22 I241 R242	Q18-M238 HydrophobicContact CG-SD 4.06Å; V19-M238 HydrophobicContact CG2-SD 4.15Å; L22-M238 HydrophobicContact CD1-CE 3.58Å; L22-M238 HydrophobicContact CD1-SD 4.11Å; M238-I241 WeakPolarHBondContact O-CB 3.36Å; M238-I241 PolarHBondContact O-N 3.07Å; M238-R242 WeakPolarHBondContact O-CG 3.47Å; M238-R242 PolarHBondContact O-N 3.04Å
239	D	97.9	Very high	97.9	Very high	130 Å²	130	54 Å²	54	70%	0.695	29%	0.285	S	S	*	.	H	α-helix	trans	-68.1	-42.6	175.1	-69.6	-16	0	0	0	111.1	T237 I241 R242 Q243	T237-D239 PolarHBondContact O-N 2.89Å; T237-D239 PolarHBondContact OG1-N 2.68Å; D239-I241 PolarHBondContact O-N 2.87Å; D239-R242 PolarHBondContact O-N 3.2Å; D239-R242 VanDerWaalsContact O-N 3.16Å; D239-Q243 PolarHBondContact O-N 2.83Å
240	D	98.4	Very high	97.9	Very high	59 Å²	59	60.2 Å²	60.2	32%	0.316	31%	0.312	S	S	.	.	H	α-helix	trans	-58	-41.3	172.7	-59.5	-53.4	0	0	0	110.5	L236 T237 Q243 I244	L236-D240 HydrophobicContact CB-CB 4.24Å; L236-D240 HydrophobicContact CD2-CB 4.21Å; T237-D240 WeakPolarHBondContact CB-OD2 3.48Å; T237-D240 PolarHBondContact N-OD2 3.17Å; T237-D240 WeakPolarHBondContact O-CB 3.33Å; T237-D240 PolarHBondContact O-N 3.29Å; T237-D240 PolarHBondContact OG1-N 3.49Å; T237-D240 PolarHBondContact OG1-OD2 3.36Å; D240-Q243 PolarHBondContact O-N 2.92Å; D240-I244 VanDerWaalsContact O-CG1 3.25Å; D240-I244 WeakPolarHBondContact O-CG1 3.25Å; D240-I244 PolarHBondContact O-N 3.22Å
241	I	98.3	Very high	97.8	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-43.3	176.7	-64.8	-57.8	0	0	0	112	V19 L22 W23 L236 T237 M238 D239 Q243 I244 E245	V19-I241 HydrophobicContact CG1-CD1 3.88Å; V19-I241 HydrophobicContact CG1-CG1 3.91Å; L22-I241 HydrophobicContact CB-CG2 3.51Å; L22-I241 HydrophobicContact CD1-CG2 3.82Å; L22-I241 HydrophobicContact CG-CG2 4.29Å; W23-I241 HydrophobicContact CB-CD1 3.72Å; W23-I241 HydrophobicContact CG-CD1 4.37Å; L236-I241 HydrophobicContact CD1-CD1 4.22Å; T237-I241 WeakPolarHBondContact O-CG1 3.43Å; T237-I241 PolarHBondContact O-N 2.96Å; T237-I241 VanDerWaalsContact O-N 3.12Å; M238-I241 WeakPolarHBondContact O-CB 3.36Å; M238-I241 PolarHBondContact O-N 3.07Å; D239-I241 PolarHBondContact O-N 2.87Å; I241-Q243 VanDerWaalsContact C-N 3.3Å; I241-Q243 PolarHBondContact O-N 3.28Å; I241-I244 PolarHBondContact O-N 3.38Å; I241-E245 HydrophobicContact CG2-CG 4.29Å; I241-E245 WeakPolarHBondContact O-CB 3.49Å; I241-E245 WeakPolarHBondContact O-CG 3.49Å; I241-E245 PolarHBondContact O-N 3.07Å
242	R	97.6	Very high	97.8	Very high	54 Å²	54	62.3 Å²	62.3	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-43.2	176.3	-65	-56.8	113.7	-156.3	-12.7	110.9	Q61 M238 D239 E245 D246	Q61-R242 VanDerWaalsContact NE2-NH1 3.14Å; M238-R242 WeakPolarHBondContact O-CG 3.47Å; M238-R242 PolarHBondContact O-N 3.04Å; D239-R242 PolarHBondContact O-N 3.2Å; D239-R242 VanDerWaalsContact O-N 3.16Å; R242-E245 IonicContact CZ-OE1 3.11Å; R242-E245 IonicContact CZ-OE2 3.76Å; R242-E245 IonicContact NE-OE2 3.58Å; R242-E245 IonicContact NH1-OE1 3.51Å; R242-E245 IonicContact NH1-OE2 2.83Å; R242-E245 PolarHBondContact NH1-OE2 3.02Å; R242-E245 IonicContact NH2-OE1 3.63Å; R242-E245 PolarHBondContact NH2-OE1 3.44Å; R242-E245 IonicContact NH2-OE2 3.94Å; R242-E245 PolarHBondContact NH2-OE2 3.35Å; R242-E245 PolarHBondContact O-N 2.99Å; R242-D246 PolarHBondContact O-N 3.12Å
243	Q	98	Very high	97.6	Very high	112 Å²	112	60.4 Å²	60.4	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-46.5	176	-177.1	179.9	-9.8	0	0	111.8	D239 D240 I241 E245 D246 E247	D239-Q243 PolarHBondContact O-N 2.83Å; D240-Q243 PolarHBondContact O-N 2.92Å; I241-Q243 VanDerWaalsContact C-N 3.3Å; I241-Q243 PolarHBondContact O-N 3.28Å; Q243-E245 VanDerWaalsContact C-N 3.33Å; Q243-E245 PolarHBondContact O-N 2.84Å; Q243-D246 PolarHBondContact O-N 3.36Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.33Å; Q243-E247 PolarHBondContact NE2-OE1 3Å; Q243-E247 WeakPolarHBondContact O-CG 3.21Å; Q243-E247 PolarHBondContact O-N 3.49Å
244	I	98.3	Very high	97.5	Very high	32 Å²	32	63.9 Å²	63.9	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-41.9	178.6	-71.7	166.6	0	0	0	111.2	A26 L236 D240 I241 E247 T248	A26-I244 HydrophobicContact CB-CG2 3.97Å; L236-I244 HydrophobicContact CD1-CD1 3.96Å; D240-I244 VanDerWaalsContact O-CG1 3.25Å; D240-I244 WeakPolarHBondContact O-CG1 3.25Å; D240-I244 PolarHBondContact O-N 3.22Å; I241-I244 PolarHBondContact O-N 3.38Å; I244-E247 PolarHBondContact O-N 2.84Å; I244-T248 WeakPolarHBondContact O-CB 3.4Å; I244-T248 PolarHBondContact O-N 3.06Å; I244-T248 PolarHBondContact O-OG1 3.32Å
245	E	98	Very high	97.3	Very high	24 Å²	24	61.5 Å²	61.5	11%	0.112	32%	0.324	C	S	.	.	H	α-helix	trans	-64.9	-40	177.6	-72.9	176.1	179	0	0	112.1	N44 I241 R242 Q243 T248 K249	N44-E245 WeakPolarHBondContact ND2-CB 3.47Å; N44-E245 PolarHBondContact ND2-OE2 3.46Å; I241-E245 HydrophobicContact CG2-CG 4.29Å; I241-E245 WeakPolarHBondContact O-CB 3.49Å; I241-E245 WeakPolarHBondContact O-CG 3.49Å; I241-E245 PolarHBondContact O-N 3.07Å; R242-E245 IonicContact CZ-OE1 3.11Å; R242-E245 IonicContact CZ-OE2 3.76Å; R242-E245 IonicContact NE-OE2 3.58Å; R242-E245 IonicContact NH1-OE1 3.51Å; R242-E245 IonicContact NH1-OE2 2.83Å; R242-E245 PolarHBondContact NH1-OE2 3.02Å; R242-E245 IonicContact NH2-OE1 3.63Å; R242-E245 PolarHBondContact NH2-OE1 3.44Å; R242-E245 IonicContact NH2-OE2 3.94Å; R242-E245 PolarHBondContact NH2-OE2 3.35Å; R242-E245 PolarHBondContact O-N 2.99Å; Q243-E245 VanDerWaalsContact C-N 3.33Å; Q243-E245 PolarHBondContact O-N 2.84Å; E245-T248 PolarHBondContact O-N 3.08Å; E245-K249 WeakPolarHBondContact O-CB 3.18Å; E245-K249 PolarHBondContact O-N 2.75Å
246	D	97.3	Very high	97.1	Very high	88 Å²	88	60.6 Å²	60.6	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-40.6	176.4	-82.1	-12.7	0	0	0	112.6	R242 Q243 K250	R242-D246 PolarHBondContact O-N 3.12Å; Q243-D246 PolarHBondContact O-N 3.36Å; D246-K250 WeakPolarHBondContact O-CG 3.32Å; D246-K250 PolarHBondContact O-N 3.32Å
247	E	97.8	Very high	96.8	Very high	98 Å²	98	65.6 Å²	65.6	46%	0.458	32%	0.319	S	S	.	.	H	α-helix	trans	-66.5	-45	173.6	-72.2	174.7	-171.4	0	0	110.9	Q243 I244 K249 K250 E251	Q243-E247 WeakPolarHBondContact CG-OE1 3.33Å; Q243-E247 PolarHBondContact NE2-OE1 3Å; Q243-E247 WeakPolarHBondContact O-CG 3.21Å; Q243-E247 PolarHBondContact O-N 3.49Å; I244-E247 PolarHBondContact O-N 2.84Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.05Å; E247-K250 PolarHBondContact O-N 3.07Å; E247-E251 PolarHBondContact O-N 3.28Å
248	T	97.6	Very high	96.5	Very high	6 Å²	6	68 Å²	68	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-43.4	178.8	-62.1	0	0	0	0	111.1	A26 K30 I244 E245 K250 E251 L252	A26-T248 HydrophobicContact CB-CG2 4.11Å; K30-T248 WeakPolarHBondContact CE-OG1 3.35Å; K30-T248 HydrophobicContact CG-CG2 4.14Å; I244-T248 WeakPolarHBondContact O-CB 3.4Å; I244-T248 PolarHBondContact O-N 3.06Å; I244-T248 PolarHBondContact O-OG1 3.32Å; E245-T248 PolarHBondContact O-N 3.08Å; T248-K250 VanDerWaalsContact C-N 3.3Å; T248-K250 PolarHBondContact O-N 3.47Å; T248-E251 PolarHBondContact O-N 3.07Å; T248-E251 VanDerWaalsContact O-N 3.16Å; T248-L252 HydrophobicContact CG2-CD1 3.79Å; T248-L252 HydrophobicContact CG2-CG 3.98Å; T248-L252 WeakPolarHBondContact O-CB 3.34Å; T248-L252 WeakPolarHBondContact O-CG 3.44Å; T248-L252 PolarHBondContact O-N 3.28Å
249	K	97.2	Very high	96	Very high	67 Å²	67	68.3 Å²	68.3	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-54.2	-47.1	175.9	172.5	169.6	174.8	168.4	0	111.9	V41 L42 E245 E247 D253	V41-K249 HydrophobicContact CB-CB 4.37Å; V41-K249 HydrophobicContact CB-CD 4.21Å; V41-K249 HydrophobicContact CB-CG 4.09Å; V41-K249 HydrophobicContact CG1-CD 4.15Å; V41-K249 HydrophobicContact CG1-CG 4.5Å; V41-K249 WeakPolarHBondContact O-CE 3.37Å; V41-K249 PolarHBondContact O-NZ 3.16Å; L42-K249 PolarHBondContact O-NZ 2.85Å; L42-K249 VanDerWaalsContact O-NZ 3.11Å; E245-K249 WeakPolarHBondContact O-CB 3.18Å; E245-K249 PolarHBondContact O-N 2.75Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.05Å; K249-D253 PolarHBondContact O-N 2.97Å
250	K	96.6	Very high	95.7	Very high	143 Å²	143	70 Å²	70	62%	0.622	35%	0.347	S	S	*	.	H	α-helix	trans	-65	-41.4	178.9	-63.9	165.3	-171.9	162.8	0	111.6	D246 E247 T248 D253 V254	D246-K250 WeakPolarHBondContact O-CG 3.32Å; D246-K250 PolarHBondContact O-N 3.32Å; E247-K250 PolarHBondContact O-N 3.07Å; T248-K250 VanDerWaalsContact C-N 3.3Å; T248-K250 PolarHBondContact O-N 3.47Å; K250-D253 PolarHBondContact O-N 3.18Å; K250-V254 PolarHBondContact O-N 2.95Å
251	E	96.9	Very high	95.3	Very high	76 Å²	76	70.3 Å²	70.3	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-44.9	179.2	-173.1	175.9	179.4	0	0	111.7	K30 E247 T248 D253 V254 Q255	K30-E251 WeakPolarHBondContact CD-OE2 3.38Å; K30-E251 WeakPolarHBondContact CE-OE2 3.39Å; K30-E251 IonicContact NZ-OE2 3Å; E247-E251 PolarHBondContact O-N 3.28Å; T248-E251 PolarHBondContact O-N 3.07Å; T248-E251 VanDerWaalsContact O-N 3.16Å; E251-D253 VanDerWaalsContact C-N 3.32Å; E251-D253 PolarHBondContact O-N 3.28Å; E251-V254 PolarHBondContact O-N 2.85Å; E251-V254 VanDerWaalsContact O-N 3.16Å; E251-Q255 HydrophobicContact CG-CG 4.09Å; E251-Q255 WeakPolarHBondContact O-CB 3.25Å; E251-Q255 WeakPolarHBondContact O-CG 3.49Å; E251-Q255 PolarHBondContact O-N 2.66Å; E251-Q255 PolarHBondContact OE1-NE2 2.69Å
252	L	96.7	Very high	94.9	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-61	-39.6	178.1	-67	174.8	0	0	0	112.3	S29 K30 T33 I39 V41 T248 V254 Q255 R256	S29-L252 VanDerWaalsContact C-CD2 3.5Å; S29-L252 VanDerWaalsContact O-CD2 3.29Å; S29-L252 WeakPolarHBondContact O-CD2 3.1Å; K30-L252 HydrophobicContact CG-CD2 4.33Å; T33-L252 HydrophobicContact CG2-CD2 4.02Å; T33-L252 WeakPolarHBondContact OG1-CD2 3.2Å; I39-L252 HydrophobicContact CB-CD1 4.4Å; I39-L252 HydrophobicContact CG2-CD1 4.14Å; V41-L252 HydrophobicContact CG2-CD1 4Å; T248-L252 HydrophobicContact CG2-CD1 3.79Å; T248-L252 HydrophobicContact CG2-CG 3.98Å; T248-L252 WeakPolarHBondContact O-CB 3.34Å; T248-L252 WeakPolarHBondContact O-CG 3.44Å; T248-L252 PolarHBondContact O-N 3.28Å; L252-V254 PolarHBondContact O-N 2.9Å; L252-Q255 PolarHBondContact O-N 2.8Å; L252-R256 WeakPolarHBondContact O-CB 3.48Å; L252-R256 PolarHBondContact O-N 3.21Å
253	D	94.7	Very high	94.2	Very high	49 Å²	49	75 Å²	75	26%	0.262	38%	0.382	S	S	.	.	H	α-helix	trans	-61.9	-30.4	177.7	-77.9	-19.1	0	0	0	113.3	K249 K250 E251 K257	K249-D253 PolarHBondContact O-N 2.97Å; K250-D253 PolarHBondContact O-N 3.18Å; E251-D253 VanDerWaalsContact C-N 3.32Å; E251-D253 PolarHBondContact O-N 3.28Å; D253-K257 WeakPolarHBondContact O-CD 3.43Å; D253-K257 WeakPolarHBondContact O-CE 3.26Å
254	V	95.8	Very high	93.2	Very high	75 Å²	75	73 Å²	73	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-81.3	-54.8	174.2	178	0	0	0	0	109.9	K250 E251 L252 R256 K257 E258	K250-V254 PolarHBondContact O-N 2.95Å; E251-V254 PolarHBondContact O-N 2.85Å; E251-V254 VanDerWaalsContact O-N 3.16Å; L252-V254 PolarHBondContact O-N 2.9Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 2.96Å; V254-K257 PolarHBondContact O-N 3.04Å; V254-E258 PolarHBondContact O-N 3.34Å
255	Q	94.7	Very high	92.2	Very high	29 Å²	29	73.4 Å²	73.4	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-56	-39.7	-177	-73.1	-173.7	1.9	0	0	112.4	K30 T33 G34 E251 L252 K257 E258	K30-Q255 PolarHBondContact O-OE1 2.86Å; T33-Q255 HydrophobicContact CG2-CB 4.32Å; G34-Q255 WeakPolarHBondContact CA-O 3.37Å; E251-Q255 HydrophobicContact CG-CG 4.09Å; E251-Q255 WeakPolarHBondContact O-CB 3.25Å; E251-Q255 WeakPolarHBondContact O-CG 3.49Å; E251-Q255 PolarHBondContact O-N 2.66Å; E251-Q255 PolarHBondContact OE1-NE2 2.69Å; L252-Q255 PolarHBondContact O-N 2.8Å; Q255-K257 PolarHBondContact O-N 3.42Å; Q255-E258 PolarHBondContact O-N 3.31Å; Q255-E258 VanDerWaalsContact O-N 3.15Å
256	R	93.9	Very high	90.8	Very high	48 Å²	48	74.3 Å²	74.3	18%	0.181	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	178.4	-171.2	175.9	67.9	96.5	-13	112.6	T33 G36 E40 L252 V254	T33-R256 HydrophobicContact CG2-CB 3.76Å; T33-R256 HydrophobicContact CG2-CG 4.39Å; G36-R256 WeakPolarHBondContact CA-O 3.48Å; G36-R256 PolarHBondContact N-O 3.43Å; E40-R256 IonicContact OE1-NH2 2.97Å; E40-R256 PolarHBondContact OE1-NH2 3.3Å; E40-R256 IonicContact OE2-CZ 3.94Å; E40-R256 IonicContact OE2-NE 2.77Å; E40-R256 IonicContact OE2-NH2 3.53Å; E40-R256 PolarHBondContact OE2-NH2 3.18Å; L252-R256 WeakPolarHBondContact O-CB 3.48Å; L252-R256 PolarHBondContact O-N 3.21Å; V254-R256 VanDerWaalsContact C-N 3.26Å; V254-R256 PolarHBondContact O-N 2.96Å
257	K	91.5	Very high	88.9	Confident	155 Å²	155	74.4 Å²	74.4	67%	0.674	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.5	-177.8	-63.7	171.5	-171.6	159.4	0	113.1	D253 V254 Q255	D253-K257 WeakPolarHBondContact O-CD 3.43Å; D253-K257 WeakPolarHBondContact O-CE 3.26Å; V254-K257 PolarHBondContact O-N 3.04Å; Q255-K257 PolarHBondContact O-N 3.42Å
258	E	91.3	Very high	86.6	Confident	122 Å²	122	77 Å²	77	57%	0.57	41%	0.41	S	S	*	.	S	Bend	trans	-128.1	159.7	-168.9	-64.2	-176.5	178.2	0	0	112.1	G35 V254 Q255	G35-E258 PolarHBondContact N-O 3.22Å; V254-E258 PolarHBondContact O-N 3.34Å; Q255-E258 PolarHBondContact O-N 3.31Å; Q255-E258 VanDerWaalsContact O-N 3.15Å
259	G	88.4	Confident	86	Confident	66 Å²	66	80.6 Å²	80.6	68%	0.68	43%	0.429	S	S	*	.	S	Bend	trans	67.2	-155.6	172.9	0	0	0	0	0	115.1	G35	G35-G259 VanDerWaalsContact CA-O 3.32Å; G35-G259 WeakPolarHBondContact CA-O 3.26Å
260	E	91.6	Very high	85.4	Confident	164 Å²	164	81.3 Å²	81.3	77%	0.766	44%	0.436	S	S	*	.			trans	-101.6	161.9	-178.8	-60.8	-179.2	158.8	0	0	111.1	G34 G35 R262	G34-E260 CarbonylContact C-O 3.16Å; G34-E260 VanDerWaalsContact C-O 3.23Å; G34-E260 WeakPolarHBondContact CA-O 3.21Å; G35-E260 PolarHBondContact N-O 3.34Å; E260-R262 WeakPolarHBondContact O-CG 3.11Å
261	V	88.6	Confident	84.8	Confident	66 Å²	66	77.8 Å²	77.8	40%	0.4	43%	0.426	S	S	.	.			trans	-61.6	135.9	172.7	176.4	0	0	0	0	110	G34 E37	G34-V261 WeakPolarHBondContact O-CA 3.24Å; E37-V261 HydrophobicContact CB-CG1 4.36Å; E37-V261 HydrophobicContact CB-CG2 4.42Å; E37-V261 HydrophobicContact CG-CG2 4.36Å
262	R	89.8	Confident	84.1	Confident	110 Å²	110	77.9 Å²	77.9	42%	0.415	43%	0.43	S	S	.	.			trans	-122.9	168	-176.3	-54.8	-173.7	-176.2	166	-5.1	112.4	R31 T33 K72 E260	R31-R262 VanDerWaalsContact O-CB 3.25Å; R31-R262 WeakPolarHBondContact O-CB 3.25Å; T33-R262 WeakPolarHBondContact O-CD 3.33Å; K72-R262 VanDerWaalsContact CE-O 3.3Å; K72-R262 WeakPolarHBondContact CE-O 3.48Å; K72-R262 PolarHBondContact NZ-O 2.9Å; E260-R262 WeakPolarHBondContact O-CG 3.11Å
263	G	83.8	Confident	83.3	Confident	44 Å²	44	82.8 Å²	82.8	45%	0.454	46%	0.456	S	S	.	.	S	Bend	trans	79.7	-168.2	168.1	0	0	0	0	0	115.1	R31 E32	R31-G263 PolarHBondContact O-N 2.73Å; E32-G263 VanDerWaalsContact CD-CA 3.47Å; E32-G263 WeakPolarHBondContact OE1-CA 3.11Å; E32-G263 WeakPolarHBondContact OE2-CA 3.44Å
264	M	77.8	Confident	82.5	Confident	70 Å²	70	85 Å²	85	35%	0.345	47%	0.469	S	S	.	.			trans	-70.8	149.9	-171.6	-61.6	-167	175.7	0	0	113.2	E32 K72 V221	E32-M264 VanDerWaalsContact CD-N 3.31Å; E32-M264 PolarHBondContact OE1-N 2.87Å; E32-M264 PolarHBondContact OE2-N 3.19Å; K72-M264 PolarHBondContact NZ-O 3.06Å; V221-M264 HydrophobicContact CB-CE 4.21Å; V221-M264 HydrophobicContact CG1-CE 3.31Å; V221-M264 HydrophobicContact CG1-SD 3.99Å; V221-M264 HydrophobicContact CG2-CE 3.91Å; V221-M264 HydrophobicContact CG2-SD 4.16Å
265	T	75.6	Confident	81.6	Confident	40 Å²	40	85.7 Å²	85.7	25%	0.245	47%	0.47	C	S	.	.			trans	-112.2	153.4	164	82.8	0	0	0	0	110	R217 V267 D268	R217-T265 PolarHBondContact NH1-O 2.81Å; R217-T265 VanDerWaalsContact NH1-O 3.11Å; T265-V267 PolarHBondContact O-N 3.12Å; T265-V267 PolarHBondContact OG1-N 3.4Å; T265-D268 VanDerWaalsContact OG1-CG 3.3Å; T265-D268 PolarHBondContact OG1-OD2 2.74Å
266	A	69.4	Low	80.6	Confident	43 Å²	43	90.1 Å²	90.1	36%	0.355	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.9	174.7	0	0	0	0	0	113.5	K72 P74 F212	K72-A266 VanDerWaalsContact O-CB 3.27Å; K72-A266 WeakPolarHBondContact O-CB 3.41Å; K72-A266 PolarHBondContact O-N 3.07Å; P74-A266 HydrophobicContact CG-CB 4.4Å; F212-A266 HydrophobicContact CE2-CB 3.63Å; F212-A266 HydrophobicContact CZ-CB 3.44Å; F212-A266 VanDerWaalsContact CZ-CB 3.44Å
267	V	56.4	Low	79.5	Confident	91 Å²	91	93.6 Å²	93.6	55%	0.552	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-10	-177.1	-152.3	0	0	0	0	112.4	T265	T265-V267 PolarHBondContact O-N 3.12Å; T265-V267 PolarHBondContact OG1-N 3.4Å
268	D	49.6	Very low	78.4	Confident	152 Å²	152	88 Å²	88	81%	0.813	51%	0.509	S	S	*	.			trans	-86.1	0	178.1	-55	-48.1	0	0	0	113.4	R217 T265	R217-D268 PolarHBondContact NH1-O 2.87Å; T265-D268 VanDerWaalsContact OG1-CG 3.3Å; T265-D268 PolarHBondContact OG1-OD2 2.74Å

Retrieved 268 of 268 residues in 72 ms (Link to these results)

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