A0A096MUF8_PAPAN Loading...

Signal transducer and activator of transcription

Carries out a dual function: signal transduction and activation of transcription. Involved in IL4/interleukin-4- and IL3/interleukin-3-mediated signaling.

AlphaFold DB , UniProt , Accession A0A096MUF8, Species PAPAN (Papio anubis, Olive baboon), Gene STAT6, Length 847 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M60.6Low83.2Confident122 Ų12239.9 Ų39.960%0.60122%0.223SC*.  0154.70-68.8-175.5-83.200109.1L6 K9 P118M1-L6 HydrophobicContact CE-CD2 3.68Å; M1-L6 HydrophobicContact SD-CD2 4.04Å; M1-K9 PolarHBondContact SD-NZ 3.17Å; M1-K9 VanDerWaalsContact SD-NZ 3.36Å; M1-P118 VanDerWaalsContact O-CB 3.29Å; M1-P118 WeakPolarHBondContact O-CB 3.38Å
2S82.9Confident82.7Confident18 Ų1843.1 Ų43.113%0.12625%0.246CC..  trans-79.1177.6166.851.90000111.7G5 D32 E35S2-G5 PolarHBondContact O-N 3.21Å; S2-G5 PolarHBondContact OG-N 3.02Å; S2-D32 WeakPolarHBondContact CB-OD1 3.49Å; S2-D32 VanDerWaalsContact CB-OD2 3.23Å; S2-D32 WeakPolarHBondContact CB-OD2 3.49Å; S2-D32 VanDerWaalsContact OG-CG 3.3Å; S2-D32 PolarHBondContact OG-OD1 3.37Å; S2-D32 PolarHBondContact OG-OD2 3.15Å; S2-E35 WeakPolarHBondContact CB-OE2 3.41Å
3L85.3Confident82.5Confident0 Ų051.7 Ų51.70%028%0.283CS..SBendtrans-64.7-45.4170.9-177.366.4000109.9G5 L6 V7 E35 L103 E106 K107 V110 L117 F121L3-G5 VanDerWaalsContact C-N 3.27Å; L3-G5 PolarHBondContact O-N 3.46Å; L3-L6 PolarHBondContact O-N 2.78Å; L3-V7 HydrophobicContact CG-CG2 4.23Å; L3-V7 WeakPolarHBondContact O-CG2 3.28Å; L3-V7 PolarHBondContact O-N 3.39Å; L3-E35 HydrophobicContact CB-CG 4.31Å; L3-E35 WeakPolarHBondContact CB-OE1 3.42Å; L3-E35 PolarHBondContact N-OE1 3.43Å; L3-E35 PolarHBondContact N-OE2 3.07Å; L3-L103 HydrophobicContact CD2-CD2 4.11Å; L3-E106 HydrophobicContact CD2-CB 3.79Å; L3-E106 HydrophobicContact CG-CB 4.2Å; L3-K107 HydrophobicContact CD1-CG 4.46Å; L3-K107 HydrophobicContact CD2-CG 3.98Å; L3-V110 HydrophobicContact CD1-CB 4.17Å; L3-V110 HydrophobicContact CD1-CG1 4.37Å; L3-V110 HydrophobicContact CD1-CG2 3.91Å; L3-L117 HydrophobicContact CD1-CD2 3.79Å; L3-F121 HydrophobicContact CB-CD2 3.86Å; L3-F121 HydrophobicContact CB-CE2 4.03Å; L3-F121 HydrophobicContact CB-CG 4.41Å; L3-F121 HydrophobicContact CD2-CE2 4.05Å; L3-F121 HydrophobicContact CD2-CZ 4.06Å
4W88.9Confident82.2Confident18 Ų1856.1 Ų56.17%0.06830%0.298CS..Hα-helixtrans-59-36.3175.7-167-120.8000112.8L6 V7 S8 Q24 R27 H28 E35W4-L6 PolarHBondContact O-N 3.14Å; W4-V7 HydrophobicContact CE3-CB 4Å; W4-V7 HydrophobicContact CE3-CG1 3.8Å; W4-V7 HydrophobicContact CZ3-CB 4.31Å; W4-V7 HydrophobicContact CZ3-CG1 3.59Å; W4-V7 PolarHBondContact O-N 3.1Å; W4-S8 VanDerWaalsContact O-CB 3.27Å; W4-S8 WeakPolarHBondContact O-CB 3.41Å; W4-S8 PolarHBondContact O-N 3.42Å; W4-S8 PolarHBondContact O-OG 3.47Å; W4-Q24 HydrophobicContact CH2-CG 4.27Å; W4-R27 HydrophobicContact CE3-CG 4.08Å; W4-R27 VanDerWaalsContact CE3-CZ 3.46Å; W4-R27 HydrophobicContact CH2-CB 4.45Å; W4-R27 HydrophobicContact CH2-CG 3.62Å; W4-R27 HydrophobicContact CZ2-CG 4.32Å; W4-R27 HydrophobicContact CZ3-CG 3.48Å; W4-R27 VanDerWaalsContact CZ3-CG 3.48Å; W4-H28 AromaticContact CE2-ND1 3.77Å; W4-H28 HydrophobicContact CZ2-CB 3.7Å; W4-H28 AromaticContact CZ2-CG 3.96Å; W4-H28 AromaticContact CZ2-ND1 3.53Å; W4-H28 AromaticContact NE1-CG 3.94Å; W4-H28 AromaticContact NE1-ND1 3.42Å; W4-H28 PolarHBondContact NE1-ND1 3.07Å; W4-E35 WeakPolarHBondContact CB-OE1 3.33Å; W4-E35 PolarHBondContact N-OE1 3.23Å
5G85.9Confident82.3Confident18 Ų1852.5 Ų52.519%0.18628%0.279CS..Hα-helixtrans-65.2-14.8174.200000115.5S2 L3S2-G5 PolarHBondContact O-N 3.21Å; S2-G5 PolarHBondContact OG-N 3.02Å; L3-G5 VanDerWaalsContact C-N 3.27Å; L3-G5 PolarHBondContact O-N 3.46Å
6L85.5Confident82.3Confident7 Ų757.3 Ų57.34%0.03730%0.299CS..Hα-helixtrans-97.4-45.6167-69.1-179.3000111.7M1 L3 W4 S8 K9 M10 V110 F114 P118M1-L6 HydrophobicContact CE-CD2 3.68Å; M1-L6 HydrophobicContact SD-CD2 4.04Å; L3-L6 PolarHBondContact O-N 2.78Å; W4-L6 PolarHBondContact O-N 3.14Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.42Å; L6-K9 WeakPolarHBondContact O-CA 3.15Å; L6-K9 WeakPolarHBondContact O-CB 3.48Å; L6-K9 PolarHBondContact O-N 3.03Å; L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 2.88Å; L6-V110 HydrophobicContact CB-CG1 4.38Å; L6-V110 HydrophobicContact CB-CG2 4.02Å; L6-V110 HydrophobicContact CD1-CG1 3.66Å; L6-F114 HydrophobicContact CB-CE2 4.19Å; L6-F114 HydrophobicContact CD2-CE1 4.46Å; L6-F114 HydrophobicContact CD2-CZ 4.32Å; L6-P118 HydrophobicContact CD1-CG 3.73Å; L6-P118 HydrophobicContact CG-CG 4.43Å
7V87.4Confident82.5Confident3 Ų366.8 Ų66.82%0.01833%0.33CS..Hα-helixtrans-57.1-42.2179.9172.40000111.8L3 W4 K9 M10 V15 E106 V110L3-V7 HydrophobicContact CG-CG2 4.23Å; L3-V7 WeakPolarHBondContact O-CG2 3.28Å; L3-V7 PolarHBondContact O-N 3.39Å; W4-V7 HydrophobicContact CE3-CB 4Å; W4-V7 HydrophobicContact CE3-CG1 3.8Å; W4-V7 HydrophobicContact CZ3-CB 4.31Å; W4-V7 HydrophobicContact CZ3-CG1 3.59Å; W4-V7 PolarHBondContact O-N 3.1Å; V7-K9 PolarHBondContact O-N 3.19Å; V7-M10 VanDerWaalsContact O-CB 3.32Å; V7-M10 WeakPolarHBondContact O-CB 3.26Å; V7-M10 PolarHBondContact O-N 3.46Å; V7-V15 HydrophobicContact CG1-CG1 4.34Å; V7-E106 HydrophobicContact CG1-CG 4.13Å; V7-E106 HydrophobicContact CG2-CB 3.79Å; V7-E106 HydrophobicContact CG2-CG 3.8Å; V7-V110 HydrophobicContact CG2-CG2 3.76Å
8S85.1Confident82.7Confident70 Ų7065.8 Ų65.849%0.4933%0.326SS..THydrogen-bonded Turntrans-67.1-15.9176.356.50000114.4W4 L6W4-S8 VanDerWaalsContact O-CB 3.27Å; W4-S8 WeakPolarHBondContact O-CB 3.41Å; W4-S8 PolarHBondContact O-N 3.42Å; W4-S8 PolarHBondContact O-OG 3.47Å; L6-S8 VanDerWaalsContact C-N 3.31Å; L6-S8 PolarHBondContact O-N 3.42Å
9K84.5Confident82.9Confident112 Ų11263.4 Ų63.449%0.48731%0.313SS..THydrogen-bonded Turntrans-91.71.7171.7-61.6-179.3177.4-176.50112.6M1 L6 V7 E812M1-K9 PolarHBondContact SD-NZ 3.17Å; M1-K9 VanDerWaalsContact SD-NZ 3.36Å; L6-K9 WeakPolarHBondContact O-CA 3.15Å; L6-K9 WeakPolarHBondContact O-CB 3.48Å; L6-K9 PolarHBondContact O-N 3.03Å; V7-K9 PolarHBondContact O-N 3.19Å; K9-E812 IonicContact NZ-OE2 3.49Å; K9-E812 PolarHBondContact NZ-OE2 2.8Å
10M85.6Confident82.8Confident15 Ų1566 Ų667%0.07433%0.332CS..SBendtrans-91.9151.6-179.4-59.5-17461.800112.5L6 V7 K14 V15 A109 V110 Q113 F114L6-M10 WeakPolarHBondContact O-CG 3.37Å; L6-M10 PolarHBondContact O-N 2.88Å; V7-M10 VanDerWaalsContact O-CB 3.32Å; V7-M10 WeakPolarHBondContact O-CB 3.26Å; V7-M10 PolarHBondContact O-N 3.46Å; M10-K14 HydrophobicContact CE-CB 4.28Å; M10-K14 HydrophobicContact CE-CD 3.83Å; M10-V15 HydrophobicContact CE-CG1 4.49Å; M10-V15 HydrophobicContact SD-CG1 4.36Å; M10-A109 HydrophobicContact CE-CB 3.8Å; M10-A109 WeakPolarHBondContact CE-O 3.42Å; M10-A109 HydrophobicContact SD-CB 4.22Å; M10-V110 HydrophobicContact SD-CG2 3.93Å; M10-Q113 HydrophobicContact CE-CB 3.94Å; M10-F114 HydrophobicContact CG-CE2 4.03Å; M10-F114 HydrophobicContact SD-CE2 4.22Å
11P83.1Confident82.7Confident56 Ų5667.4 Ų67.436%0.36434%0.341SS..  trans-57.9132.8170.1-23.433.8000111.2E13 K14P11-E13 PolarHBondContact O-N 2.88Å; P11-K14 PolarHBondContact O-N 2.9Å; P11-K14 VanDerWaalsContact O-N 3.08Å
12P77.8Confident83.8Confident78 Ų7861.6 Ų61.651%0.50631%0.312SS..G310 helixtrans-60.4-34.2-172.223-33.5000112.5K14 V15 Q16P12-K14 PolarHBondContact O-N 3.18Å; P12-V15 PolarHBondContact O-N 3.2Å; P12-Q16 WeakPolarHBondContact O-CB 3.03Å; P12-Q16 PolarHBondContact O-N 3.16Å
13E80.1Confident83.9Confident155 Ų15562.7 Ų62.772%0.72432%0.319SS*.G310 helixtrans-48.8-33.3175.3-64.4159-157.400114P11P11-E13 PolarHBondContact O-N 2.88Å
14K78.5Confident84Confident113 Ų11366 Ų6649%0.49133%0.334SS..G310 helixtrans-76.5-26.1-179.7-65.6-169.1177.6-1740113.6M10 P11 P12M10-K14 HydrophobicContact CE-CB 4.28Å; M10-K14 HydrophobicContact CE-CD 3.83Å; P11-K14 PolarHBondContact O-N 2.9Å; P11-K14 VanDerWaalsContact O-N 3.08Å; P12-K14 PolarHBondContact O-N 3.18Å
15V83.6Confident83.7Confident2 Ų269.3 Ų69.31%0.01235%0.35CS..THydrogen-bonded Turntrans-120.3-17.4-168.6-62.50000113.6V7 M10 P12 R17 L18 Y19 A109V7-V15 HydrophobicContact CG1-CG1 4.34Å; M10-V15 HydrophobicContact CE-CG1 4.49Å; M10-V15 HydrophobicContact SD-CG1 4.36Å; P12-V15 PolarHBondContact O-N 3.2Å; V15-R17 PolarHBondContact O-N 3.08Å; V15-R17 VanDerWaalsContact O-N 3.1Å; V15-L18 HydrophobicContact CB-CD1 4.34Å; V15-L18 VanDerWaalsContact O-CB 3.27Å; V15-L18 WeakPolarHBondContact O-CB 3.29Å; V15-L18 WeakPolarHBondContact O-CG 3.47Å; V15-L18 PolarHBondContact O-N 2.91Å; V15-Y19 HydrophobicContact CB-CE2 4.05Å; V15-Y19 HydrophobicContact CG2-CE2 4.19Å; V15-Y19 VanDerWaalsContact O-CD2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.48Å; V15-Y19 VanDerWaalsContact O-CE2 3.25Å; V15-Y19 WeakPolarHBondContact O-CE2 3.45Å; V15-A109 HydrophobicContact CG1-CB 4.2Å
16Q82.6Confident83.7Confident130 Ų13068.4 Ų68.461%0.60734%0.342SS*.G310 helixtrans-55.5-32.1179.8-170.8176.623.700113P12 L18 Y19P12-Q16 WeakPolarHBondContact O-CB 3.03Å; P12-Q16 PolarHBondContact O-N 3.16Å; Q16-L18 PolarHBondContact O-N 3.23Å; Q16-Y19 PolarHBondContact O-N 3.07Å
17R85.3Confident83.8Confident219 Ų21968.1 Ų68.183%0.82634%0.34SS*.G310 helixtrans-68-10.2176.7-61.9-176.5-175.9177.21.9114.4V15V15-R17 PolarHBondContact O-N 3.08Å; V15-R17 VanDerWaalsContact O-N 3.1Å
18L85.6Confident83.9Confident49 Ų4973.6 Ų73.626%0.25737%0.365SS..G310 helixtrans-86.6-22.9177.4-54.1179.7000112.4V15 Q16 V20 I102 G105 E106V15-L18 HydrophobicContact CB-CD1 4.34Å; V15-L18 VanDerWaalsContact O-CB 3.27Å; V15-L18 WeakPolarHBondContact O-CB 3.29Å; V15-L18 WeakPolarHBondContact O-CG 3.47Å; V15-L18 PolarHBondContact O-N 2.91Å; Q16-L18 PolarHBondContact O-N 3.23Å; L18-V20 PolarHBondContact O-N 3.21Å; L18-I102 WeakPolarHBondContact O-CG1 3.47Å; L18-G105 VanDerWaalsContact CD1-C 3.46Å; L18-E106 HydrophobicContact CD1-CG 4.22Å
19Y87.4Confident83.9Confident20 Ų2072.4 Ų72.48%0.07835%0.353CS..  trans-101.742.2-169.3-54.4-62000112.6V15 Q16 F22 Q24 R27 I102 E106V15-Y19 HydrophobicContact CB-CE2 4.05Å; V15-Y19 HydrophobicContact CG2-CE2 4.19Å; V15-Y19 VanDerWaalsContact O-CD2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.48Å; V15-Y19 VanDerWaalsContact O-CE2 3.25Å; V15-Y19 WeakPolarHBondContact O-CE2 3.45Å; Q16-Y19 PolarHBondContact O-N 3.07Å; Y19-F22 CarbonylContact C-O 3.52Å; Y19-F22 WeakPolarHBondContact CA-O 3.43Å; Y19-F22 WeakPolarHBondContact CB-O 3.37Å; Y19-Q24 HydrophobicContact CD1-CB 4.24Å; Y19-Q24 HydrophobicContact CD1-CG 4.41Å; Y19-Q24 HydrophobicContact CD2-CB 3.66Å; Y19-Q24 HydrophobicContact CD2-CG 3.55Å; Y19-Q24 HydrophobicContact CE2-CB 4.28Å; Y19-Q24 HydrophobicContact CE2-CG 3.66Å; Y19-Q24 HydrophobicContact CG-CB 3.66Å; Y19-Q24 HydrophobicContact CG-CG 3.97Å; Y19-R27 HydrophobicContact CD1-CB 4.41Å; Y19-R27 HydrophobicContact CE1-CB 4.14Å; Y19-R27 HydrophobicContact CE1-CG 3.77Å; Y19-I102 HydrophobicContact CD1-CD1 4.46Å; Y19-I102 HydrophobicContact CD1-CG2 4.4Å; Y19-I102 HydrophobicContact CE1-CG2 3.72Å; Y19-E106 PolarHBondContact OH-OE1 3.4Å
20V81.4Confident84Confident114 Ų11467.3 Ų67.369%0.69133%0.331SS*.SBendtrans-79.2-57.2-178.9-1800000110.8L18L18-V20 PolarHBondContact O-N 3.21Å
21D79.1Confident84Confident97 Ų9767.1 Ų67.152%0.51933%0.333SS..SBendtrans-83.7-11.6-179.4-63-86.9000113.8T98D21-T98 HydrophobicContact CB-CG2 3.92Å
22F85.1Confident84.2Confident0 Ų068.5 Ų68.50%034%0.337CS..SBendtrans-143.1123.1177.8-168.3-91.9000111.8Y19 L26 R27 L30 L84 T98 F99 I102Y19-F22 CarbonylContact C-O 3.52Å; Y19-F22 WeakPolarHBondContact CA-O 3.43Å; Y19-F22 WeakPolarHBondContact CB-O 3.37Å; F22-L26 HydrophobicContact CD1-CB 4.38Å; F22-L26 HydrophobicContact CE1-CB 3.47Å; F22-L26 VanDerWaalsContact CE1-CB 3.47Å; F22-L26 HydrophobicContact CE2-CD1 4.39Å; F22-L26 HydrophobicContact CZ-CB 3.57Å; F22-L26 HydrophobicContact CZ-CD1 4.15Å; F22-R27 HydrophobicContact CD1-CB 4.47Å; F22-R27 HydrophobicContact CE1-CB 4.38Å; F22-L30 HydrophobicContact CE1-CD1 4.17Å; F22-L30 HydrophobicContact CZ-CD1 3.82Å; F22-L84 HydrophobicContact CD2-CD2 3.74Å; F22-L84 HydrophobicContact CE2-CD1 3.75Å; F22-L84 HydrophobicContact CE2-CD2 3.63Å; F22-L84 HydrophobicContact CE2-CG 4.36Å; F22-L84 HydrophobicContact CZ-CD1 4.38Å; F22-T98 HydrophobicContact CB-CG2 3.88Å; F22-F99 AromaticContact CD1-CE1 3.76Å; F22-F99 HydrophobicContact CD1-CE1 3.76Å; F22-F99 AromaticContact CD2-CE1 3.79Å; F22-F99 HydrophobicContact CD2-CE1 3.79Å; F22-F99 HydrophobicContact CD2-CZ 4.07Å; F22-F99 AromaticContact CE1-CE1 3.64Å; F22-F99 HydrophobicContact CE1-CE1 3.64Å; F22-F99 HydrophobicContact CE1-CZ 4.14Å; F22-F99 AromaticContact CE2-CE1 3.69Å; F22-F99 HydrophobicContact CE2-CE1 3.69Å; F22-F99 AromaticContact CE2-CZ 3.6Å; F22-F99 HydrophobicContact CE2-CZ 3.6Å; F22-F99 AromaticContact CG-CE1 3.83Å; F22-F99 HydrophobicContact CG-CE1 3.83Å; F22-F99 AromaticContact CZ-CE1 3.62Å; F22-F99 HydrophobicContact CZ-CE1 3.62Å; F22-F99 AromaticContact CZ-CZ 3.64Å; F22-F99 HydrophobicContact CZ-CZ 3.64Å; F22-I102 HydrophobicContact CB-CD1 3.74Å; F22-I102 HydrophobicContact CG-CD1 4.45Å
23P85.2Confident84.8Confident41 Ų4166.3 Ų66.327%0.26632%0.319SS..  trans-62.2136.6-174.5-25.133000115.3H25 L26 R27P23-H25 VanDerWaalsContact CB-CE1 3.49Å; P23-H25 WeakPolarHBondContact CB-CE1 3.44Å; P23-H25 WeakPolarHBondContact CB-ND1 3.33Å; P23-H25 PolarHBondContact O-N 3.34Å; P23-L26 HydrophobicContact CB-CD1 4.33Å; P23-L26 HydrophobicContact CB-CG 4.23Å; P23-L26 HydrophobicContact CG-CD1 4.07Å; P23-L26 HydrophobicContact CG-CG 4.5Å; P23-L26 PolarHBondContact O-N 3.27Å; P23-L26 VanDerWaalsContact O-N 3.12Å; P23-R27 PolarHBondContact O-N 3.01Å; P23-R27 VanDerWaalsContact O-N 3.11Å
24Q85.4Confident85.2Confident69 Ų6959 Ų5932%0.32228%0.284SS..Hα-helixtrans-59.7-30.3179.4-167.3176.23.200113.6W4 Y19 R27 H28W4-Q24 HydrophobicContact CH2-CG 4.27Å; Y19-Q24 HydrophobicContact CD1-CB 4.24Å; Y19-Q24 HydrophobicContact CD1-CG 4.41Å; Y19-Q24 HydrophobicContact CD2-CB 3.66Å; Y19-Q24 HydrophobicContact CD2-CG 3.55Å; Y19-Q24 HydrophobicContact CE2-CB 4.28Å; Y19-Q24 HydrophobicContact CE2-CG 3.66Å; Y19-Q24 HydrophobicContact CG-CB 3.66Å; Y19-Q24 HydrophobicContact CG-CG 3.97Å; Q24-R27 WeakPolarHBondContact O-CB 3.46Å; Q24-R27 PolarHBondContact O-N 3.23Å; Q24-H28 PolarHBondContact O-N 3.3Å
25H84.2Confident85.7Confident87 Ų8753.6 Ų53.640%0.40326%0.261SS..Hα-helixtrans-68.2-39.8177.471.3-95000111.7P23 R27 H28 L29 H80P23-H25 VanDerWaalsContact CB-CE1 3.49Å; P23-H25 WeakPolarHBondContact CB-CE1 3.44Å; P23-H25 WeakPolarHBondContact CB-ND1 3.33Å; P23-H25 PolarHBondContact O-N 3.34Å; H25-R27 VanDerWaalsContact C-N 3.35Å; H25-H28 WeakPolarHBondContact O-CB 3.3Å; H25-H28 PolarHBondContact O-N 2.9Å; H25-L29 PolarHBondContact O-N 2.91Å; H25-L29 VanDerWaalsContact O-N 3.08Å; H25-H80 AromaticContact CE1-CD2 3.98Å; H25-H80 AromaticContact CE1-CE1 3.79Å; H25-H80 AromaticContact CE1-NE2 3.54Å; H25-H80 AromaticContact NE2-CE1 3.82Å; H25-H80 AromaticContact NE2-ND1 3.97Å; H25-H80 AromaticContact NE2-NE2 3.89Å
26L85.6Confident86Confident0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-67.4-36.8172.9-56.1179.6000111F22 P23 H28 L29 L30 L64 H80 L84F22-L26 HydrophobicContact CD1-CB 4.38Å; F22-L26 HydrophobicContact CE1-CB 3.47Å; F22-L26 VanDerWaalsContact CE1-CB 3.47Å; F22-L26 HydrophobicContact CE2-CD1 4.39Å; F22-L26 HydrophobicContact CZ-CB 3.57Å; F22-L26 HydrophobicContact CZ-CD1 4.15Å; P23-L26 HydrophobicContact CB-CD1 4.33Å; P23-L26 HydrophobicContact CB-CG 4.23Å; P23-L26 HydrophobicContact CG-CD1 4.07Å; P23-L26 HydrophobicContact CG-CG 4.5Å; P23-L26 PolarHBondContact O-N 3.27Å; P23-L26 VanDerWaalsContact O-N 3.12Å; L26-H28 PolarHBondContact O-N 2.91Å; L26-L29 HydrophobicContact CD2-CD1 4.29Å; L26-L29 PolarHBondContact O-N 3.06Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 3.27Å; L26-L64 HydrophobicContact CB-CD2 4.32Å; L26-L64 HydrophobicContact CD2-CD2 4.15Å; L26-H80 HydrophobicContact CD1-CB 3.97Å; L26-H80 HydrophobicContact CD2-CB 4.35Å; L26-L84 HydrophobicContact CD1-CD1 3.98Å
27R88.3Confident86.5Confident0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-59.7-36.5172.616965.9-173.4106.1-10111.8W4 Y19 F22 P23 Q24 H25 G31 L34 E35 E106W4-R27 HydrophobicContact CE3-CG 4.08Å; W4-R27 VanDerWaalsContact CE3-CZ 3.46Å; W4-R27 HydrophobicContact CH2-CB 4.45Å; W4-R27 HydrophobicContact CH2-CG 3.62Å; W4-R27 HydrophobicContact CZ2-CG 4.32Å; W4-R27 HydrophobicContact CZ3-CG 3.48Å; W4-R27 VanDerWaalsContact CZ3-CG 3.48Å; Y19-R27 HydrophobicContact CD1-CB 4.41Å; Y19-R27 HydrophobicContact CE1-CB 4.14Å; Y19-R27 HydrophobicContact CE1-CG 3.77Å; F22-R27 HydrophobicContact CD1-CB 4.47Å; F22-R27 HydrophobicContact CE1-CB 4.38Å; P23-R27 PolarHBondContact O-N 3.01Å; P23-R27 VanDerWaalsContact O-N 3.11Å; Q24-R27 WeakPolarHBondContact O-CB 3.46Å; Q24-R27 PolarHBondContact O-N 3.23Å; H25-R27 VanDerWaalsContact C-N 3.35Å; R27-G31 PolarHBondContact NH1-O 2.92Å; R27-G31 PolarHBondContact O-N 2.98Å; R27-L34 VanDerWaalsContact CD-CD2 3.5Å; R27-E35 IonicContact NH2-OE1 2.6Å; R27-E106 IonicContact CZ-OE1 2.73Å; R27-E106 IonicContact CZ-OE2 2.79Å; R27-E106 IonicContact NE-OE1 3.61Å; R27-E106 PolarHBondContact NE-OE1 3.08Å; R27-E106 IonicContact NE-OE2 3.93Å; R27-E106 PolarHBondContact NE-OE2 3.49Å; R27-E106 IonicContact NH2-OE1 3.26Å; R27-E106 IonicContact NH2-OE2 2.75Å; R27-E106 PolarHBondContact NH2-OE2 3.16Å
28H87.6Confident86.8Confident118 Ų11840.7 Ų40.755%0.54622%0.215SC..Hα-helixtrans-67.2-46.1175.3-168.795.1000111.9W4 Q24 H25 L26 L30 G31W4-H28 AromaticContact CE2-ND1 3.77Å; W4-H28 HydrophobicContact CZ2-CB 3.7Å; W4-H28 AromaticContact CZ2-CG 3.96Å; W4-H28 AromaticContact CZ2-ND1 3.53Å; W4-H28 AromaticContact NE1-CG 3.94Å; W4-H28 AromaticContact NE1-ND1 3.42Å; W4-H28 PolarHBondContact NE1-ND1 3.07Å; Q24-H28 PolarHBondContact O-N 3.3Å; H25-H28 WeakPolarHBondContact O-CB 3.3Å; H25-H28 PolarHBondContact O-N 2.9Å; L26-H28 PolarHBondContact O-N 2.91Å; H28-L30 VanDerWaalsContact C-N 3.3Å; H28-L30 PolarHBondContact O-N 2.8Å; H28-G31 WeakPolarHBondContact O-CA 3.46Å; H28-G31 PolarHBondContact O-N 3.18Å; H28-G31 VanDerWaalsContact O-N 3.08Å
29L86.1Confident87Confident46 Ų4638.4 Ų38.424%0.24120%0.203CC..Hα-helixtrans-60.7-37.2175.6-65176.5000112.5H25 L26 G31 L64 I77H25-L29 PolarHBondContact O-N 2.91Å; H25-L29 VanDerWaalsContact O-N 3.08Å; L26-L29 HydrophobicContact CD2-CD1 4.29Å; L26-L29 PolarHBondContact O-N 3.06Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-L64 HydrophobicContact CB-CD2 4.11Å; L29-L64 HydrophobicContact CD1-CD2 4.34Å; L29-I77 HydrophobicContact CD1-CD1 3.96Å; L29-I77 HydrophobicContact CD1-CG1 4.36Å
30L87.4Confident87Confident5 Ų538.7 Ų38.73%0.02621%0.205CC..Hα-helixtrans-75.6-19.3175.1-64.2177000113.7F22 L26 H28 D32 W33 L34 T60 R63 L64 F99F22-L30 HydrophobicContact CE1-CD1 4.17Å; F22-L30 HydrophobicContact CZ-CD1 3.82Å; L26-L30 WeakPolarHBondContact O-CG 3.5Å; L26-L30 PolarHBondContact O-N 3.27Å; H28-L30 VanDerWaalsContact C-N 3.3Å; H28-L30 PolarHBondContact O-N 2.8Å; L30-D32 PolarHBondContact O-N 3.11Å; L30-W33 HydrophobicContact CB-CE3 4.36Å; L30-W33 HydrophobicContact CD2-CE3 3.84Å; L30-W33 HydrophobicContact CD2-CZ3 3.89Å; L30-W33 WeakPolarHBondContact O-CA 3.4Å; L30-W33 WeakPolarHBondContact O-CB 3.39Å; L30-W33 PolarHBondContact O-N 3.06Å; L30-L34 HydrophobicContact CB-CB 4.26Å; L30-L34 HydrophobicContact CD1-CD1 3.99Å; L30-L34 PolarHBondContact O-N 3.38Å; L30-L34 VanDerWaalsContact O-N 3.16Å; L30-T60 HydrophobicContact CD1-CG2 3.92Å; L30-T60 HydrophobicContact CD2-CG2 4.39Å; L30-R63 HydrophobicContact CD2-CB 3.74Å; L30-L64 HydrophobicContact CD2-CD2 3.87Å; L30-L64 HydrophobicContact CD2-CG 4.02Å; L30-L64 HydrophobicContact CG-CD2 3.97Å; L30-L64 HydrophobicContact CG-CG 4.48Å; L30-F99 HydrophobicContact CD1-CE1 4.33Å; L30-F99 HydrophobicContact CD1-CZ 3.88Å
31G85.6Confident87.3Confident11 Ų1135 Ų3511%0.11318%0.18CC..Hα-helixtrans39.5-129.8168.200000115.9R27 H28 L29 W33 L34R27-G31 PolarHBondContact NH1-O 2.92Å; R27-G31 PolarHBondContact O-N 2.98Å; H28-G31 WeakPolarHBondContact O-CA 3.46Å; H28-G31 PolarHBondContact O-N 3.18Å; H28-G31 VanDerWaalsContact O-N 3.08Å; L29-G31 VanDerWaalsContact C-N 3.34Å; G31-W33 PolarHBondContact O-N 3.28Å; G31-L34 PolarHBondContact O-N 3.05Å
32D85.6Confident87.7Confident84 Ų8430.5 Ų30.545%0.44916%0.156SC..Hα-helixtrans-70.9-11.5179.4-7623.3000113.8S2 L30 K124S2-D32 WeakPolarHBondContact CB-OD1 3.49Å; S2-D32 VanDerWaalsContact CB-OD2 3.23Å; S2-D32 WeakPolarHBondContact CB-OD2 3.49Å; S2-D32 VanDerWaalsContact OG-CG 3.3Å; S2-D32 PolarHBondContact OG-OD1 3.37Å; S2-D32 PolarHBondContact OG-OD2 3.15Å; L30-D32 PolarHBondContact O-N 3.11Å; D32-K124 PolarHBondContact O-NZ 3.29Å
33W90.6Very high87.3Confident33 Ų3334.3 Ų34.313%0.12518%0.179CC..Hα-helixtrans-76.9-33.4176.817486.4000112.2L30 G31 E35 S36 Q37 W39 D59 T60 R63L30-W33 HydrophobicContact CB-CE3 4.36Å; L30-W33 HydrophobicContact CD2-CE3 3.84Å; L30-W33 HydrophobicContact CD2-CZ3 3.89Å; L30-W33 WeakPolarHBondContact O-CA 3.4Å; L30-W33 WeakPolarHBondContact O-CB 3.39Å; L30-W33 PolarHBondContact O-N 3.06Å; G31-W33 PolarHBondContact O-N 3.28Å; W33-E35 PolarHBondContact O-N 3.11Å; W33-S36 PolarHBondContact O-N 3.43Å; W33-S36 PolarHBondContact O-OG 3.05Å; W33-Q37 HydrophobicContact CD2-CG 4.3Å; W33-Q37 HydrophobicContact CH2-CG 3.81Å; W33-Q37 HydrophobicContact CZ2-CG 3.51Å; W33-Q37 HydrophobicContact CZ3-CG 4.31Å; W33-W39 HydrophobicContact CH2-CZ2 4.29Å; W33-W39 HydrophobicContact CZ3-CZ2 4.37Å; W33-D59 HydrophobicContact CH2-CB 4.19Å; W33-D59 HydrophobicContact CZ2-CB 3.8Å; W33-T60 WeakPolarHBondContact CH2-OG1 3.18Å; W33-R63 VanDerWaalsContact CD1-NE 3.3Å; W33-R63 HydrophobicContact CD2-CG 3.92Å; W33-R63 HydrophobicContact CE3-CG 4.1Å; W33-R63 HydrophobicContact CH2-CG 4.3Å; W33-R63 HydrophobicContact CZ2-CG 4.14Å; W33-R63 HydrophobicContact CZ3-CG 4.28Å
34L89.9Confident86.9Confident0 Ų033.8 Ų33.80%018%0.181CC..Hα-helixtrans-58.2-38174.3-16579000111R27 L30 G31 S36 Q37 W39 F99 L103R27-L34 VanDerWaalsContact CD-CD2 3.5Å; L30-L34 HydrophobicContact CB-CB 4.26Å; L30-L34 HydrophobicContact CD1-CD1 3.99Å; L30-L34 PolarHBondContact O-N 3.38Å; L30-L34 VanDerWaalsContact O-N 3.16Å; G31-L34 PolarHBondContact O-N 3.05Å; L34-S36 PolarHBondContact O-N 3.32Å; L34-Q37 PolarHBondContact O-N 2.95Å; L34-W39 HydrophobicContact CD1-CZ2 3.9Å; L34-W39 PolarHBondContact O-NE1 2.88Å; L34-F99 HydrophobicContact CD1-CB 4.46Å; L34-F99 HydrophobicContact CD1-CD1 3.7Å; L34-F99 HydrophobicContact CD1-CD2 3.84Å; L34-F99 HydrophobicContact CD1-CE1 3.71Å; L34-F99 HydrophobicContact CD1-CE2 3.82Å; L34-F99 HydrophobicContact CD1-CG 3.77Å; L34-F99 HydrophobicContact CD1-CZ 3.76Å; L34-F99 HydrophobicContact CD2-CD1 4.02Å; L34-F99 HydrophobicContact CD2-CE1 4.43Å; L34-F99 HydrophobicContact CD2-CG 4.5Å; L34-F99 HydrophobicContact CG-CD1 4.46Å; L34-L103 HydrophobicContact CD2-CD1 4.44Å; L34-L103 HydrophobicContact CD2-CD2 4.24Å; L34-L103 HydrophobicContact CD2-CG 4.24Å
35E89.3Confident86.7Confident1 Ų135.4 Ų35.41%0.00520%0.2CC..THydrogen-bonded Turntrans-72.8-10.5176.6-62.6171.5-145.700114.1S2 L3 W4 R27 W33 L103 F121 K124S2-E35 WeakPolarHBondContact CB-OE2 3.41Å; L3-E35 HydrophobicContact CB-CG 4.31Å; L3-E35 WeakPolarHBondContact CB-OE1 3.42Å; L3-E35 PolarHBondContact N-OE1 3.43Å; L3-E35 PolarHBondContact N-OE2 3.07Å; W4-E35 WeakPolarHBondContact CB-OE1 3.33Å; W4-E35 PolarHBondContact N-OE1 3.23Å; R27-E35 IonicContact NH2-OE1 2.6Å; W33-E35 PolarHBondContact O-N 3.11Å; E35-L103 HydrophobicContact CG-CD2 4.18Å; E35-F121 HydrophobicContact CB-CD2 4.4Å; E35-F121 HydrophobicContact CB-CE2 4.02Å; E35-F121 HydrophobicContact CG-CD2 4.36Å; E35-F121 HydrophobicContact CG-CE2 3.93Å; E35-F121 WeakPolarHBondContact OE2-CD2 3.41Å; E35-K124 VanDerWaalsContact C-CE 3.45Å; E35-K124 WeakPolarHBondContact O-CE 3.46Å; E35-K124 IonicContact OE2-NZ 3.47Å
36S89.3Confident86.7Confident40 Ų4033.8 Ų33.828%0.2819%0.194SC..THydrogen-bonded Turntrans-97.68.417770.10000114W33 L34 K124 L128W33-S36 PolarHBondContact O-N 3.43Å; W33-S36 PolarHBondContact O-OG 3.05Å; L34-S36 PolarHBondContact O-N 3.32Å; S36-K124 VanDerWaalsContact CB-CE 3.5Å; S36-L128 VanDerWaalsContact O-CD2 3.29Å; S36-L128 WeakPolarHBondContact O-CD2 3.48Å
37Q92.6Very high86.7Confident30 Ų3036.2 Ų36.214%0.1422%0.215CC..SBendtrans-111.8151.2177.3-55.8-41.2-51.200112.3W33 L34 W39 L56W33-Q37 HydrophobicContact CD2-CG 4.3Å; W33-Q37 HydrophobicContact CH2-CG 3.81Å; W33-Q37 HydrophobicContact CZ2-CG 3.51Å; W33-Q37 HydrophobicContact CZ3-CG 4.31Å; L34-Q37 PolarHBondContact O-N 2.95Å; Q37-W39 VanDerWaalsContact C-N 3.26Å; Q37-W39 HydrophobicContact CB-CD2 4.24Å; Q37-W39 HydrophobicContact CB-CZ2 3.86Å; Q37-W39 HydrophobicContact CG-CZ2 4.06Å; Q37-W39 PolarHBondContact O-N 3.26Å; Q37-L56 HydrophobicContact CB-CD2 3.92Å; Q37-L56 HydrophobicContact CG-CD2 3.91Å
38P90.6Very high86.8Confident9 Ų936.8 Ų36.86%0.05822%0.217CC..  trans-84.635.7-167.735.9-38.7000114.8E40 F41 L42 L56 T132P38-E40 PolarHBondContact O-N 3.5Å; P38-F41 HydrophobicContact CB-CB 4.49Å; P38-F41 HydrophobicContact CB-CD2 4.02Å; P38-F41 PolarHBondContact O-N 3.2Å; P38-L42 HydrophobicContact CG-CD1 4.38Å; P38-L56 HydrophobicContact CG-CD1 4.18Å; P38-T132 HydrophobicContact CB-CG2 4.38Å; P38-T132 WeakPolarHBondContact CB-OG1 3.45Å
39W91.1Very high86.9Confident1 Ų131.1 Ų31.10%0.00419%0.191CC..G310 helixtrans-53-34.1-171.7-49.4110.8000114.6W33 L34 Q37 F41 L56 L95 V96 F99 R100 L103W33-W39 HydrophobicContact CH2-CZ2 4.29Å; W33-W39 HydrophobicContact CZ3-CZ2 4.37Å; L34-W39 HydrophobicContact CD1-CZ2 3.9Å; L34-W39 PolarHBondContact O-NE1 2.88Å; Q37-W39 VanDerWaalsContact C-N 3.26Å; Q37-W39 HydrophobicContact CB-CD2 4.24Å; Q37-W39 HydrophobicContact CB-CZ2 3.86Å; Q37-W39 HydrophobicContact CG-CZ2 4.06Å; Q37-W39 PolarHBondContact O-N 3.26Å; W39-F41 VanDerWaalsContact C-N 3.34Å; W39-L56 HydrophobicContact CE3-CD1 4.05Å; W39-L56 HydrophobicContact CH2-CB 3.73Å; W39-L56 HydrophobicContact CH2-CD1 4.42Å; W39-L56 HydrophobicContact CH2-CD2 4.38Å; W39-L56 HydrophobicContact CH2-CG 4.41Å; W39-L56 HydrophobicContact CZ3-CB 3.62Å; W39-L56 HydrophobicContact CZ3-CD1 3.86Å; W39-L56 HydrophobicContact CZ3-CG 4.25Å; W39-L95 HydrophobicContact CH2-CD2 4.5Å; W39-V96 HydrophobicContact CE3-CB 4.29Å; W39-V96 HydrophobicContact CE3-CG1 4.39Å; W39-V96 HydrophobicContact CE3-CG2 3.98Å; W39-V96 HydrophobicContact CZ3-CG2 4.12Å; W39-V96 WeakPolarHBondContact O-CG1 3.36Å; W39-F99 HydrophobicContact CB-CB 4.42Å; W39-F99 HydrophobicContact CD2-CB 3.82Å; W39-F99 AromaticContact CD2-CD2 3.89Å; W39-F99 HydrophobicContact CD2-CD2 3.89Å; W39-F99 HydrophobicContact CD2-CG 4.32Å; W39-F99 AromaticContact CE2-CD2 3.62Å; W39-F99 HydrophobicContact CE3-CB 4.27Å; W39-F99 AromaticContact CE3-CD2 3.92Å; W39-F99 HydrophobicContact CE3-CD2 3.92Å; W39-F99 HydrophobicContact CG-CB 3.91Å; W39-F99 AromaticContact CH2-CD2 3.45Å; W39-F99 HydrophobicContact CH2-CD2 3.45Å; W39-F99 VanDerWaalsContact CH2-CD2 3.45Å; W39-F99 AromaticContact CH2-CE2 3.68Å; W39-F99 HydrophobicContact CH2-CE2 3.68Å; W39-F99 AromaticContact CZ2-CD2 3.42Å; W39-F99 HydrophobicContact CZ2-CD2 3.42Å; W39-F99 VanDerWaalsContact CZ2-CD2 3.42Å; W39-F99 AromaticContact CZ2-CE2 3.73Å; W39-F99 HydrophobicContact CZ2-CE2 3.73Å; W39-F99 HydrophobicContact CZ2-CG 4.35Å; W39-F99 AromaticContact CZ3-CD2 3.7Å; W39-F99 HydrophobicContact CZ3-CD2 3.7Å; W39-F99 HydrophobicContact CZ3-CE2 4.29Å; W39-R100 PolarHBondContact O-NE 3.19Å; W39-R100 PolarHBondContact O-NH2 2.74Å; W39-L103 HydrophobicContact CG-CD1 4.36Å
40E87.3Confident87Confident27 Ų2731.2 Ų31.213%0.12620%0.195CC..G310 helixtrans-79.7-13-179.8-56.3-164.4163.600114P38 R100 K107 Q125P38-E40 PolarHBondContact O-N 3.5Å; E40-R100 HydrophobicContact CG-CG 4.32Å; E40-K107 WeakPolarHBondContact OE1-CE 3.44Å; E40-K107 IonicContact OE1-NZ 3.33Å; E40-K107 PolarHBondContact OE1-NZ 3.32Å; E40-K107 IonicContact OE2-NZ 2.99Å; E40-K107 PolarHBondContact OE2-NZ 3.05Å; E40-Q125 PolarHBondContact OE2-OE1 3.29Å
41F87.3Confident87.1Confident35 Ų3535.6 Ų35.615%0.15422%0.218CC..G310 helixtrans-106.51.2-173.1-50.1-55000113.6P38 W39 Q125 L128 K129 T132 L794P38-F41 HydrophobicContact CB-CB 4.49Å; P38-F41 HydrophobicContact CB-CD2 4.02Å; P38-F41 PolarHBondContact O-N 3.2Å; W39-F41 VanDerWaalsContact C-N 3.34Å; F41-Q125 HydrophobicContact CZ-CB 4.47Å; F41-Q125 WeakPolarHBondContact CZ-O 3.48Å; F41-L128 HydrophobicContact CD2-CB 4.08Å; F41-L128 HydrophobicContact CE2-CB 3.69Å; F41-K129 HydrophobicContact CD1-CB 3.99Å; F41-K129 HydrophobicContact CD1-CD 4.29Å; F41-K129 HydrophobicContact CD1-CG 3.88Å; F41-K129 HydrophobicContact CD2-CB 4.32Å; F41-K129 HydrophobicContact CE1-CB 3.71Å; F41-K129 HydrophobicContact CE1-CD 3.97Å; F41-K129 HydrophobicContact CE1-CG 3.87Å; F41-K129 HydrophobicContact CE2-CB 4.07Å; F41-K129 HydrophobicContact CG-CB 4.3Å; F41-K129 HydrophobicContact CG-CG 4.46Å; F41-K129 HydrophobicContact CZ-CB 3.76Å; F41-K129 HydrophobicContact CZ-CG 4.44Å; F41-T132 HydrophobicContact CB-CG2 3.94Å; F41-L794 HydrophobicContact CE1-CD1 3.91Å; F41-L794 HydrophobicContact CZ-CD1 3.8Å
42L86.9Confident87.4Confident3 Ų336.5 Ų36.52%0.01622%0.22CC..  trans-103.462.1178.7-62.6177.9000110.6P38 F48 M52 L56 V96 R100 T132P38-L42 HydrophobicContact CG-CD1 4.38Å; L42-F48 HydrophobicContact CD2-CE1 3.94Å; L42-M52 HydrophobicContact CD1-CB 4.07Å; L42-M52 HydrophobicContact CD1-CG 3.75Å; L42-M52 HydrophobicContact CD2-CB 4.07Å; L42-M52 HydrophobicContact CD2-CG 3.93Å; L42-M52 HydrophobicContact CG-CG 4.49Å; L42-L56 HydrophobicContact CD1-CD1 3.62Å; L42-V96 HydrophobicContact CB-CG1 3.94Å; L42-V96 HydrophobicContact CD1-CG1 4.37Å; L42-V96 HydrophobicContact CD1-CG2 4.39Å; L42-R100 VanDerWaalsContact C-NH2 3.28Å; L42-R100 PolarHBondContact O-NH2 3.45Å; L42-T132 HydrophobicContact CD2-CG2 3.89Å
43V76.6Confident87.7Confident81 Ų8132.5 Ų32.549%0.49120%0.198SC..  trans-82.3-31.8-169.3-172.70000112.9E788V43-E788 WeakPolarHBondContact CG1-OE1 3.37Å
44G78.5Confident87.7Confident30 Ų3033.3 Ų33.331%0.30921%0.209SC..SBendtrans-80.9165.7-179.200000115C49G44-C49 WeakPolarHBondContact O-CB 3.43Å; G44-C49 PolarHBondContact O-SG 3.45Å
45S80.4Confident87.8Confident102 Ų10235.5 Ų35.571%0.71323%0.227SC*.  trans-101.226.5170.566.30000112.7
46D84.2Confident88Confident53 Ų5335.6 Ų35.628%0.28323%0.228SC..SBendtrans-73.3164177.554.857.2000112.2F48 C49 C50 R136D46-F48 PolarHBondContact O-N 2.98Å; D46-F48 WeakPolarHBondContact OD1-CB 3.49Å; D46-F48 PolarHBondContact OD1-N 3.09Å; D46-C49 PolarHBondContact O-N 3.29Å; D46-C49 VanDerWaalsContact O-N 3.08Å; D46-C49 WeakPolarHBondContact OD1-CB 3.33Å; D46-C49 PolarHBondContact OD1-N 3.32Å; D46-C49 PolarHBondContact OD1-SG 3.24Å; D46-C50 PolarHBondContact O-N 3.24Å; D46-C50 PolarHBondContact O-SG 2.91Å; D46-R136 IonicContact OD1-NH2 3.62Å; D46-R136 PolarHBondContact OD1-NH2 3.06Å; D46-R136 IonicContact OD2-CZ 3.43Å; D46-R136 VanDerWaalsContact OD2-CZ 3.23Å; D46-R136 IonicContact OD2-NH1 3.67Å; D46-R136 PolarHBondContact OD2-NH1 3.38Å; D46-R136 IonicContact OD2-NH2 3.65Å; D46-R136 PolarHBondContact OD2-NH2 2.78Å
47A86.3Confident88.1Confident52 Ų5234.5 Ų34.543%0.4322%0.219SC..Hα-helixtrans-57-36.5-178.900000112.3C50 N51A47-C50 PolarHBondContact O-N 3.37Å; A47-N51 VanDerWaalsContact O-CB 3.31Å; A47-N51 WeakPolarHBondContact O-CB 3.26Å; A47-N51 PolarHBondContact O-N 2.92Å; A47-N51 PolarHBondContact O-ND2 2.95Å; A47-N51 VanDerWaalsContact O-ND2 3.14Å
48F90.1Very high88.1Confident11 Ų1136.5 Ų36.55%0.04824%0.236CC..Hα-helixtrans-60.2-48.2174.6167.6-94.4000112.2L42 D46 N51 M52 T132 R135 R136 H139L42-F48 HydrophobicContact CD2-CE1 3.94Å; D46-F48 PolarHBondContact O-N 2.98Å; D46-F48 WeakPolarHBondContact OD1-CB 3.49Å; D46-F48 PolarHBondContact OD1-N 3.09Å; F48-N51 PolarHBondContact O-N 3.38Å; F48-M52 HydrophobicContact CD2-CE 4.44Å; F48-M52 HydrophobicContact CE2-CE 3.61Å; F48-M52 HydrophobicContact CZ-CE 3.76Å; F48-M52 WeakPolarHBondContact O-CB 3.26Å; F48-M52 PolarHBondContact O-N 3.42Å; F48-T132 HydrophobicContact CE1-CG2 4.29Å; F48-T132 HydrophobicContact CZ-CG2 4.32Å; F48-R135 HydrophobicContact CE2-CB 3.82Å; F48-R135 HydrophobicContact CZ-CB 4.02Å; F48-R136 HydrophobicContact CD1-CB 4.17Å; F48-R136 HydrophobicContact CD1-CG 4.28Å; F48-R136 HydrophobicContact CE1-CB 3.83Å; F48-R136 HydrophobicContact CE1-CG 4.38Å; F48-R136 HydrophobicContact CE2-CB 4.24Å; F48-R136 HydrophobicContact CZ-CB 3.86Å; F48-H139 HydrophobicContact CB-CB 4.39Å; F48-H139 HydrophobicContact CD2-CB 3.76Å; F48-H139 AromaticContact CD2-CD2 3.96Å; F48-H139 AromaticContact CD2-CG 3.96Å; F48-H139 HydrophobicContact CG-CB 4.43Å
49C88.8Confident88.2Confident0 Ų039.2 Ų39.20%025%0.25CS..Hα-helixtrans-63.7-44176.4-80.60000112.2G44 D46 N51 M52 A53 L93 R136G44-C49 WeakPolarHBondContact O-CB 3.43Å; G44-C49 PolarHBondContact O-SG 3.45Å; D46-C49 PolarHBondContact O-N 3.29Å; D46-C49 VanDerWaalsContact O-N 3.08Å; D46-C49 WeakPolarHBondContact OD1-CB 3.33Å; D46-C49 PolarHBondContact OD1-N 3.32Å; D46-C49 PolarHBondContact OD1-SG 3.24Å; C49-N51 PolarHBondContact O-N 3.01Å; C49-M52 PolarHBondContact O-N 3.48Å; C49-A53 WeakPolarHBondContact O-CB 3.38Å; C49-A53 PolarHBondContact O-N 2.9Å; C49-L93 HydrophobicContact CB-CD2 4.02Å; C49-R136 PolarHBondContact SG-NH2 2.99Å
50C88.3Confident88.1Confident47 Ų4739.3 Ų39.332%0.31825%0.251SS..Hα-helixtrans-60.2-44.9176.4-68.20000112D46 A47 S54D46-C50 PolarHBondContact O-N 3.24Å; D46-C50 PolarHBondContact O-SG 2.91Å; A47-C50 PolarHBondContact O-N 3.37Å; C50-S54 WeakPolarHBondContact O-CB 3.35Å; C50-S54 PolarHBondContact O-N 3.48Å; C50-S54 PolarHBondContact O-OG 2.92Å
51N90Very high88.3Confident98 Ų9838.6 Ų38.652%0.52425%0.248SC..Hα-helixtrans-64.3-46176.7-71.7-25.6000111.7A47 F48 C49 S54 A55A47-N51 VanDerWaalsContact O-CB 3.31Å; A47-N51 WeakPolarHBondContact O-CB 3.26Å; A47-N51 PolarHBondContact O-N 2.92Å; A47-N51 PolarHBondContact O-ND2 2.95Å; A47-N51 VanDerWaalsContact O-ND2 3.14Å; F48-N51 PolarHBondContact O-N 3.38Å; C49-N51 PolarHBondContact O-N 3.01Å; N51-S54 PolarHBondContact O-N 3.1Å; N51-A55 PolarHBondContact O-N 3.31Å; N51-A55 VanDerWaalsContact O-N 3.09Å
52M90.9Very high88.4Confident29 Ų2943.2 Ų43.214%0.14327%0.27CS..Hα-helixtrans-65.4-40.3178.7-162.967.45600112.1L42 F48 C49 A55 L56L42-M52 HydrophobicContact CD1-CB 4.07Å; L42-M52 HydrophobicContact CD1-CG 3.75Å; L42-M52 HydrophobicContact CD2-CB 4.07Å; L42-M52 HydrophobicContact CD2-CG 3.93Å; L42-M52 HydrophobicContact CG-CG 4.49Å; F48-M52 HydrophobicContact CD2-CE 4.44Å; F48-M52 HydrophobicContact CE2-CE 3.61Å; F48-M52 HydrophobicContact CZ-CE 3.76Å; F48-M52 WeakPolarHBondContact O-CB 3.26Å; F48-M52 PolarHBondContact O-N 3.42Å; C49-M52 PolarHBondContact O-N 3.48Å; M52-A55 PolarHBondContact O-N 3.4Å; M52-L56 HydrophobicContact CG-CD1 4.21Å; M52-L56 WeakPolarHBondContact O-CB 3.4Å; M52-L56 VanDerWaalsContact O-CG 3.28Å; M52-L56 WeakPolarHBondContact O-CG 3.42Å; M52-L56 PolarHBondContact O-N 3.33Å
53A92.1Very high88.5Confident0 Ų049.2 Ų49.20%029%0.293CS..Hα-helixtrans-66-38.1177.200000112.2C49 L56 L57 P92 L93 V96C49-A53 WeakPolarHBondContact O-CB 3.38Å; C49-A53 PolarHBondContact O-N 2.9Å; A53-L56 PolarHBondContact O-N 3.5Å; A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 PolarHBondContact O-N 3.11Å; A53-P92 HydrophobicContact CB-CB 3.75Å; A53-L93 HydrophobicContact CB-CD2 3.86Å; A53-L93 HydrophobicContact CB-CG 4.46Å; A53-V96 HydrophobicContact CB-CG2 3.6Å
54S91.1Very high89Confident51 Ų5145.4 Ų45.436%0.35727%0.269SS..Hα-helixtrans-64.3-40.8174.8-56.40000112.2C50 N51 S58C50-S54 WeakPolarHBondContact O-CB 3.35Å; C50-S54 PolarHBondContact O-N 3.48Å; C50-S54 PolarHBondContact O-OG 2.92Å; N51-S54 PolarHBondContact O-N 3.1Å; S54-S58 PolarHBondContact O-N 2.95Å; S54-S58 PolarHBondContact O-OG 3.22Å
55A92.4Very high89.3Confident45 Ų4548.3 Ų48.337%0.37228%0.275SS..Hα-helixtrans-65-46.217300000111.7N51 M52 L57 S58 D59N51-A55 PolarHBondContact O-N 3.31Å; N51-A55 VanDerWaalsContact O-N 3.09Å; M52-A55 PolarHBondContact O-N 3.4Å; A55-L57 PolarHBondContact O-N 3.19Å; A55-S58 WeakPolarHBondContact O-CA 3.42Å; A55-S58 WeakPolarHBondContact O-CB 3.38Å; A55-S58 PolarHBondContact O-N 3.5Å; A55-D59 PolarHBondContact O-N 2.97Å
56L92.9Very high89.5Confident4 Ų446.5 Ų46.52%0.02127%0.266CS..Hα-helixtrans-65.7-32.9179.4-74172.1000113.7Q37 P38 W39 L42 M52 A53 T60Q37-L56 HydrophobicContact CB-CD2 3.92Å; Q37-L56 HydrophobicContact CG-CD2 3.91Å; P38-L56 HydrophobicContact CG-CD1 4.18Å; W39-L56 HydrophobicContact CE3-CD1 4.05Å; W39-L56 HydrophobicContact CH2-CB 3.73Å; W39-L56 HydrophobicContact CH2-CD1 4.42Å; W39-L56 HydrophobicContact CH2-CD2 4.38Å; W39-L56 HydrophobicContact CH2-CG 4.41Å; W39-L56 HydrophobicContact CZ3-CB 3.62Å; W39-L56 HydrophobicContact CZ3-CD1 3.86Å; W39-L56 HydrophobicContact CZ3-CG 4.25Å; L42-L56 HydrophobicContact CD1-CD1 3.62Å; M52-L56 HydrophobicContact CG-CD1 4.21Å; M52-L56 WeakPolarHBondContact O-CB 3.4Å; M52-L56 VanDerWaalsContact O-CG 3.28Å; M52-L56 WeakPolarHBondContact O-CG 3.42Å; M52-L56 PolarHBondContact O-N 3.33Å; A53-L56 PolarHBondContact O-N 3.5Å; L56-T60 WeakPolarHBondContact O-CB 3.37Å; L56-T60 PolarHBondContact O-N 3.22Å; L56-T60 PolarHBondContact O-OG1 2.9Å
57L92.2Very high89.2Confident16 Ų1645.1 Ų45.18%0.08426%0.261CS..Hα-helixtrans-61.1-46.7168.5169.162.4000110.6A53 A55 T60 V61 P92 L95A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 PolarHBondContact O-N 3.11Å; A55-L57 PolarHBondContact O-N 3.19Å; L57-T60 WeakPolarHBondContact O-CB 3.44Å; L57-T60 PolarHBondContact O-N 3.12Å; L57-V61 HydrophobicContact CD1-CG2 4.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.48Å; L57-V61 PolarHBondContact O-N 3.19Å; L57-P92 HydrophobicContact CD2-CB 4.42Å; L57-P92 HydrophobicContact CD2-CG 4.29Å; L57-L95 HydrophobicContact CB-CD2 3.99Å; L57-L95 HydrophobicContact CD1-CD2 3.84Å
58S91.6Very high88.6Confident72 Ų7243.1 Ų43.150%0.50324%0.244SC..Hα-helixtrans-62.6-45.3178.8-53.30000112S54 A55 T60 V61 Q62S54-S58 PolarHBondContact O-N 2.95Å; S54-S58 PolarHBondContact O-OG 3.22Å; A55-S58 WeakPolarHBondContact O-CA 3.42Å; A55-S58 WeakPolarHBondContact O-CB 3.38Å; A55-S58 PolarHBondContact O-N 3.5Å; S58-T60 VanDerWaalsContact C-N 3.33Å; S58-T60 PolarHBondContact O-N 2.97Å; S58-V61 PolarHBondContact O-N 3.35Å; S58-Q62 WeakPolarHBondContact O-CB 3.34Å; S58-Q62 PolarHBondContact O-N 3.35Å
59D92.4Very high87.3Confident67 Ų6746 Ų4636%0.35828%0.276SS..Hα-helixtrans-61.4-40.7174.9-72.2-10.2000111.5W33 A55 Q62 R63W33-D59 HydrophobicContact CH2-CB 4.19Å; W33-D59 HydrophobicContact CZ2-CB 3.8Å; A55-D59 PolarHBondContact O-N 2.97Å; D59-Q62 PolarHBondContact O-N 3.21Å; D59-R63 WeakPolarHBondContact O-CB 3.28Å; D59-R63 WeakPolarHBondContact O-CG 3.42Å; D59-R63 PolarHBondContact O-N 2.98Å
60T91Very high86.1Confident2 Ų254.1 Ų54.11%0.01231%0.314CS..Hα-helixtrans-63.4-44.4177.6-58.30000111.2L30 W33 L56 L57 S58 R63 L64 F99L30-T60 HydrophobicContact CD1-CG2 3.92Å; L30-T60 HydrophobicContact CD2-CG2 4.39Å; W33-T60 WeakPolarHBondContact CH2-OG1 3.18Å; L56-T60 WeakPolarHBondContact O-CB 3.37Å; L56-T60 PolarHBondContact O-N 3.22Å; L56-T60 PolarHBondContact O-OG1 2.9Å; L57-T60 WeakPolarHBondContact O-CB 3.44Å; L57-T60 PolarHBondContact O-N 3.12Å; S58-T60 VanDerWaalsContact C-N 3.33Å; S58-T60 PolarHBondContact O-N 2.97Å; T60-R63 PolarHBondContact O-N 3.4Å; T60-L64 HydrophobicContact CG2-CD1 4.36Å; T60-L64 WeakPolarHBondContact O-CG 3.34Å; T60-L64 PolarHBondContact O-N 3.38Å; T60-L64 VanDerWaalsContact O-N 3.11Å; T60-F99 HydrophobicContact CG2-CE2 4.07Å; T60-F99 HydrophobicContact CG2-CZ 4.03Å
61V89.6Confident84.6Confident13 Ų1358.3 Ų58.38%0.07933%0.33CS..Hα-helixtrans-61.1-48.9175.1165.40000110.4L57 S58 R63 L64 Q65 I81 E85L57-V61 HydrophobicContact CD1-CG2 4.28Å; L57-V61 WeakPolarHBondContact O-CG2 3.48Å; L57-V61 PolarHBondContact O-N 3.19Å; S58-V61 PolarHBondContact O-N 3.35Å; V61-R63 VanDerWaalsContact C-N 3.33Å; V61-R63 PolarHBondContact O-N 3.32Å; V61-L64 PolarHBondContact O-N 3.25Å; V61-Q65 HydrophobicContact CG1-CG 4.3Å; V61-Q65 VanDerWaalsContact CG1-NE2 3.31Å; V61-Q65 WeakPolarHBondContact O-CB 3.47Å; V61-Q65 VanDerWaalsContact O-CG 3.3Å; V61-Q65 WeakPolarHBondContact O-CG 3.31Å; V61-Q65 PolarHBondContact O-N 3.08Å; V61-I81 HydrophobicContact CG1-CG2 3.91Å; V61-I81 HydrophobicContact CG2-CG2 4.46Å; V61-E85 HydrophobicContact CG2-CG 3.74Å
62Q90.1Very high83.1Confident131 Ų13157.3 Ų57.361%0.61234%0.342SS*.Hα-helixtrans-61.2-39.3179.4-167.1-175.73500112.4S58 D59 Q65 A66S58-Q62 WeakPolarHBondContact O-CB 3.34Å; S58-Q62 PolarHBondContact O-N 3.35Å; D59-Q62 PolarHBondContact O-N 3.21Å; Q62-Q65 PolarHBondContact O-N 2.83Å; Q62-A66 PolarHBondContact O-N 3.37Å
63R88.3Confident81.6Confident130 Ų13061.9 Ų61.949%0.49136%0.363SS..Hα-helixtrans-59.4-50.7174.5-73.6-81.3172.5-157.1-8.6111.7L30 W33 D59 T60 V61 A66 S67L30-R63 HydrophobicContact CD2-CB 3.74Å; W33-R63 VanDerWaalsContact CD1-NE 3.3Å; W33-R63 HydrophobicContact CD2-CG 3.92Å; W33-R63 HydrophobicContact CE3-CG 4.1Å; W33-R63 HydrophobicContact CH2-CG 4.3Å; W33-R63 HydrophobicContact CZ2-CG 4.14Å; W33-R63 HydrophobicContact CZ3-CG 4.28Å; D59-R63 WeakPolarHBondContact O-CB 3.28Å; D59-R63 WeakPolarHBondContact O-CG 3.42Å; D59-R63 PolarHBondContact O-N 2.98Å; T60-R63 PolarHBondContact O-N 3.4Å; V61-R63 VanDerWaalsContact C-N 3.33Å; V61-R63 PolarHBondContact O-N 3.32Å; R63-A66 PolarHBondContact O-N 3.49Å; R63-S67 PolarHBondContact O-N 3.47Å; R63-S67 VanDerWaalsContact O-N 3.09Å; R63-S67 PolarHBondContact O-OG 2.97Å
64L87.1Confident80.2Confident0 Ų062.7 Ų62.70%037%0.371CS..Hα-helixtrans-66.9-37.5-179.6-66.6174.6000112L26 L29 L30 T60 V61 S67 A68 I81 L84L26-L64 HydrophobicContact CB-CD2 4.32Å; L26-L64 HydrophobicContact CD2-CD2 4.15Å; L29-L64 HydrophobicContact CB-CD2 4.11Å; L29-L64 HydrophobicContact CD1-CD2 4.34Å; L30-L64 HydrophobicContact CD2-CD2 3.87Å; L30-L64 HydrophobicContact CD2-CG 4.02Å; L30-L64 HydrophobicContact CG-CD2 3.97Å; L30-L64 HydrophobicContact CG-CG 4.48Å; T60-L64 HydrophobicContact CG2-CD1 4.36Å; T60-L64 WeakPolarHBondContact O-CG 3.34Å; T60-L64 PolarHBondContact O-N 3.38Å; T60-L64 VanDerWaalsContact O-N 3.11Å; V61-L64 PolarHBondContact O-N 3.25Å; L64-S67 PolarHBondContact O-N 2.99Å; L64-A68 WeakPolarHBondContact O-CB 3.34Å; L64-A68 PolarHBondContact O-N 3.08Å; L64-I81 HydrophobicContact CB-CD1 3.75Å; L64-I81 HydrophobicContact CB-CG1 3.73Å; L64-I81 HydrophobicContact CD1-CG1 4.28Å; L64-L84 HydrophobicContact CD1-CD1 3.66Å
65Q85.9Confident79Confident92 Ų9264.9 Ų64.943%0.4339%0.387SS..Hα-helixtrans-61.7-41174.1-73.9175.6-400112.1V61 Q62 A68 I81V61-Q65 HydrophobicContact CG1-CG 4.3Å; V61-Q65 VanDerWaalsContact CG1-NE2 3.31Å; V61-Q65 WeakPolarHBondContact O-CB 3.47Å; V61-Q65 VanDerWaalsContact O-CG 3.3Å; V61-Q65 WeakPolarHBondContact O-CG 3.31Å; V61-Q65 PolarHBondContact O-N 3.08Å; Q62-Q65 PolarHBondContact O-N 2.83Å; Q65-A68 WeakPolarHBondContact O-CB 3.14Å; Q65-A68 PolarHBondContact O-N 3.23Å; Q65-I81 HydrophobicContact CG-CD1 3.84Å; Q65-I81 HydrophobicContact CG-CG2 4.41Å
66A84.4Confident78.2Confident63 Ų6365.8 Ų65.852%0.52139%0.388SS..Hα-helixtrans-64-48.117500000111.6Q62 R63 A68 G69Q62-A66 PolarHBondContact O-N 3.37Å; R63-A66 PolarHBondContact O-N 3.49Å; A66-A68 VanDerWaalsContact C-N 3.26Å; A66-A68 PolarHBondContact O-N 3.39Å; A66-G69 PolarHBondContact O-N 3.4Å
67S78Confident77.3Confident25 Ų2565.8 Ų65.818%0.17539%0.388CS..Hα-helixtrans-61-32.4177.5-58.80000113.5R63 L64 G69 E70 Q71R63-S67 PolarHBondContact O-N 3.47Å; R63-S67 VanDerWaalsContact O-N 3.09Å; R63-S67 PolarHBondContact O-OG 2.97Å; L64-S67 PolarHBondContact O-N 2.99Å; S67-G69 PolarHBondContact O-N 2.67Å; S67-E70 PolarHBondContact O-N 3.43Å; S67-Q71 PolarHBondContact O-N 3.45Å
68A72.9Confident76.8Confident10 Ų1069.2 Ų69.28%0.08341%0.405CS..Hα-helixtrans-63-26.3175.400000113.3L64 Q65 A66 I77L64-A68 WeakPolarHBondContact O-CB 3.34Å; L64-A68 PolarHBondContact O-N 3.08Å; Q65-A68 WeakPolarHBondContact O-CB 3.14Å; Q65-A68 PolarHBondContact O-N 3.23Å; A66-A68 VanDerWaalsContact C-N 3.26Å; A66-A68 PolarHBondContact O-N 3.39Å; A68-I77 HydrophobicContact CB-CB 3.96Å; A68-I77 HydrophobicContact CB-CD1 4.37Å; A68-I77 HydrophobicContact CB-CG2 3.78Å
69G63.4Low76.2Confident70 Ų7072.4 Ų72.472%0.72241%0.413SS*.Hα-helixtrans-78.7-22.9177.800000114.6A66 S67A66-G69 PolarHBondContact O-N 3.4Å; S67-G69 PolarHBondContact O-N 2.67Å
70E63.7Low75.6Confident171 Ų17172.4 Ų72.480%0.79941%0.41SS*.Hα-helixtrans-96-27.6-172.9-63.8-176.4157.100113.8S67S67-E70 PolarHBondContact O-N 3.43Å
71Q57.5Low75.2Confident136 Ų13672.4 Ų72.464%0.63641%0.41SS*.SBendtrans-102.6-4.4-167.6-67.1-98.1-15.300114.8S67 E73S67-Q71 PolarHBondContact O-N 3.45Å; Q71-E73 PolarHBondContact O-N 2.97Å
72G58Low74.8Confident76 Ų7675.2 Ų75.278%0.78443%0.43SS*.SBendtrans76.9-22.1-179.800000115.8G74G72-G74 PolarHBondContact O-N 3.37Å
73E58.3Low74.5Confident125 Ų12572.4 Ų72.458%0.58442%0.422SS*.  trans-74.135.9172.3-61.9-161.1160.700113.7Q71 S75 T76 I77Q71-E73 PolarHBondContact O-N 2.97Å; E73-S75 PolarHBondContact O-N 3.42Å; E73-T76 PolarHBondContact O-OG1 2.92Å; E73-T76 VanDerWaalsContact O-OG1 3.06Å; E73-I77 HydrophobicContact CB-CD1 4.05Å; E73-I77 HydrophobicContact CB-CG1 4.43Å; E73-I77 WeakPolarHBondContact O-CG1 3.43Å; E73-I77 PolarHBondContact O-N 2.9Å
74G63.1Low74.3Confident17 Ų1766.9 Ų66.918%0.17540%0.403CS..Hα-helixtrans-60.5-39-168.900000114.3G72 L78G72-G74 PolarHBondContact O-N 3.37Å; G74-L78 VanDerWaalsContact O-CB 3.28Å; G74-L78 WeakPolarHBondContact O-CB 3.31Å; G74-L78 WeakPolarHBondContact O-CD1 3.37Å; G74-L78 WeakPolarHBondContact O-CG 3.18Å; G74-L78 PolarHBondContact O-N 3.37Å
75S66.6Low74.2Confident97 Ų9770 Ų7068%0.67842%0.417SS*.Hα-helixtrans-70-42.3-175.852.90000113.6E73 Q79E73-S75 PolarHBondContact O-N 3.42Å; S75-Q79 PolarHBondContact O-N 3.37Å; S75-Q79 VanDerWaalsContact O-N 3.1Å
76T74.1Confident74.1Confident64 Ų6470 Ų7039%0.39343%0.428SS..Hα-helixtrans-69.7-40.6177.742.20000111.3E73 Q79 H80E73-T76 PolarHBondContact O-OG1 2.92Å; E73-T76 VanDerWaalsContact O-OG1 3.06Å; T76-Q79 PolarHBondContact O-N 3.02Å; T76-H80 PolarHBondContact O-N 3.14Å; T76-H80 VanDerWaalsContact O-N 3.16Å; T76-H80 PolarHBondContact O-ND1 2.98Å
77I76.1Confident74.1Confident4 Ų470.9 Ų70.92%0.02142%0.422CS..Hα-helixtrans-67.4-42.7177.7-61.2167.2000110.5L29 A68 E73 Q79 H80 I81L29-I77 HydrophobicContact CD1-CD1 3.96Å; L29-I77 HydrophobicContact CD1-CG1 4.36Å; A68-I77 HydrophobicContact CB-CB 3.96Å; A68-I77 HydrophobicContact CB-CD1 4.37Å; A68-I77 HydrophobicContact CB-CG2 3.78Å; E73-I77 HydrophobicContact CB-CD1 4.05Å; E73-I77 HydrophobicContact CB-CG1 4.43Å; E73-I77 WeakPolarHBondContact O-CG1 3.43Å; E73-I77 PolarHBondContact O-N 2.9Å; I77-Q79 VanDerWaalsContact C-N 3.35Å; I77-Q79 PolarHBondContact O-N 2.9Å; I77-H80 PolarHBondContact O-N 3.45Å; I77-I81 HydrophobicContact CG2-CD1 3.85Å; I77-I81 HydrophobicContact CG2-CG1 4.46Å; I77-I81 WeakPolarHBondContact O-CD1 3.38Å; I77-I81 WeakPolarHBondContact O-CG1 3.26Å; I77-I81 PolarHBondContact O-N 2.87Å
78L79.6Confident74.5Confident88 Ų8869.8 Ų69.846%0.46142%0.415SS..Hα-helixtrans-60.4-40.2174.8-75169.1000112.8G74 H80 I81 S82G74-L78 VanDerWaalsContact O-CB 3.28Å; G74-L78 WeakPolarHBondContact O-CB 3.31Å; G74-L78 WeakPolarHBondContact O-CD1 3.37Å; G74-L78 WeakPolarHBondContact O-CG 3.18Å; G74-L78 PolarHBondContact O-N 3.37Å; L78-H80 VanDerWaalsContact C-N 3.34Å; L78-H80 PolarHBondContact O-N 2.93Å; L78-I81 HydrophobicContact CD2-CD1 4.29Å; L78-I81 PolarHBondContact O-N 3.09Å; L78-S82 PolarHBondContact O-N 3.27Å; L78-S82 PolarHBondContact O-OG 3.37Å
79Q79.6Confident75.2Confident140 Ų14076.2 Ų76.265%0.65444%0.443SS*.Hα-helixtrans-64.6-37.1176.2-170.9173.85.400112.5S75 T76 I77 T83S75-Q79 PolarHBondContact O-N 3.37Å; S75-Q79 VanDerWaalsContact O-N 3.1Å; T76-Q79 PolarHBondContact O-N 3.02Å; I77-Q79 VanDerWaalsContact C-N 3.35Å; I77-Q79 PolarHBondContact O-N 2.9Å; Q79-T83 PolarHBondContact O-N 3.08Å; Q79-T83 PolarHBondContact O-OG1 3.21Å
80H80.1Confident76.1Confident66 Ų6684.1 Ų84.131%0.30645%0.451SS..Hα-helixtrans-67.1-40.6171.7-74.888.9000111.8H25 L26 T76 I77 L78 T83 L84H25-H80 AromaticContact CE1-CD2 3.98Å; H25-H80 AromaticContact CE1-CE1 3.79Å; H25-H80 AromaticContact CE1-NE2 3.54Å; H25-H80 AromaticContact NE2-CE1 3.82Å; H25-H80 AromaticContact NE2-ND1 3.97Å; H25-H80 AromaticContact NE2-NE2 3.89Å; L26-H80 HydrophobicContact CD1-CB 3.97Å; L26-H80 HydrophobicContact CD2-CB 4.35Å; T76-H80 PolarHBondContact O-N 3.14Å; T76-H80 VanDerWaalsContact O-N 3.16Å; T76-H80 PolarHBondContact O-ND1 2.98Å; I77-H80 PolarHBondContact O-N 3.45Å; L78-H80 VanDerWaalsContact C-N 3.34Å; L78-H80 PolarHBondContact O-N 2.93Å; H80-T83 WeakPolarHBondContact O-CB 3.25Å; H80-T83 PolarHBondContact O-N 3.37Å; H80-T83 VanDerWaalsContact O-N 3.14Å; H80-L84 WeakPolarHBondContact O-CG 3.44Å; H80-L84 PolarHBondContact O-N 3.35Å
81I82.2Confident77.2Confident2 Ų279.5 Ų79.51%0.0143%0.432CS..Hα-helixtrans-58.6-51.4177.4-71.1156.9000111.1V61 L64 Q65 I77 L78 T83 L84 E85V61-I81 HydrophobicContact CG1-CG2 3.91Å; V61-I81 HydrophobicContact CG2-CG2 4.46Å; L64-I81 HydrophobicContact CB-CD1 3.75Å; L64-I81 HydrophobicContact CB-CG1 3.73Å; L64-I81 HydrophobicContact CD1-CG1 4.28Å; Q65-I81 HydrophobicContact CG-CD1 3.84Å; Q65-I81 HydrophobicContact CG-CG2 4.41Å; I77-I81 HydrophobicContact CG2-CD1 3.85Å; I77-I81 HydrophobicContact CG2-CG1 4.46Å; I77-I81 WeakPolarHBondContact O-CD1 3.38Å; I77-I81 WeakPolarHBondContact O-CG1 3.26Å; I77-I81 PolarHBondContact O-N 2.87Å; L78-I81 HydrophobicContact CD2-CD1 4.29Å; L78-I81 PolarHBondContact O-N 3.09Å; I81-T83 PolarHBondContact O-N 3.17Å; I81-L84 WeakPolarHBondContact O-CB 3.37Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-E85 HydrophobicContact CG2-CG 4.41Å; I81-E85 WeakPolarHBondContact O-CG 3.38Å; I81-E85 PolarHBondContact O-N 3.01Å
82S82.6Confident78.6Confident72 Ų7274 Ų7450%0.50341%0.408SS..Hα-helixtrans-63.5-26.6177.6-58.70000113.2L78 S86L78-S82 PolarHBondContact O-N 3.27Å; L78-S82 PolarHBondContact O-OG 3.37Å; S82-S86 WeakPolarHBondContact O-CB 3.48Å; S82-S86 PolarHBondContact O-N 3.39Å
83T83.5Confident80.1Confident73 Ų7372.3 Ų72.345%0.44838%0.38SS..Hα-helixtrans-71.7-43.5172.8-55.90000111.2Q79 H80 I81 S86 I87Q79-T83 PolarHBondContact O-N 3.08Å; Q79-T83 PolarHBondContact O-OG1 3.21Å; H80-T83 WeakPolarHBondContact O-CB 3.25Å; H80-T83 PolarHBondContact O-N 3.37Å; H80-T83 VanDerWaalsContact O-N 3.14Å; I81-T83 PolarHBondContact O-N 3.17Å; T83-S86 PolarHBondContact O-N 2.6Å; T83-I87 HydrophobicContact CG2-CD1 3.91Å; T83-I87 WeakPolarHBondContact O-CD1 3.45Å; T83-I87 VanDerWaalsContact O-CG1 3.26Å; T83-I87 WeakPolarHBondContact O-CG1 3.42Å; T83-I87 PolarHBondContact O-N 2.98Å; T83-I87 VanDerWaalsContact O-N 3.08Å
84L83.2Confident81.6Confident14 Ų1470.9 Ų70.97%0.07337%0.372CS..Hα-helixtrans-61.7-47.1174-68.5173.2000111.3F22 L26 L64 H80 I81 S86 I87 Y88F22-L84 HydrophobicContact CD2-CD2 3.74Å; F22-L84 HydrophobicContact CE2-CD1 3.75Å; F22-L84 HydrophobicContact CE2-CD2 3.63Å; F22-L84 HydrophobicContact CE2-CG 4.36Å; F22-L84 HydrophobicContact CZ-CD1 4.38Å; L26-L84 HydrophobicContact CD1-CD1 3.98Å; L64-L84 HydrophobicContact CD1-CD1 3.66Å; H80-L84 WeakPolarHBondContact O-CG 3.44Å; H80-L84 PolarHBondContact O-N 3.35Å; I81-L84 WeakPolarHBondContact O-CB 3.37Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-S86 PolarHBondContact O-N 3.06Å; L84-I87 PolarHBondContact O-N 2.99Å; L84-Y88 HydrophobicContact CB-CD2 4.41Å; L84-Y88 HydrophobicContact CD2-CD2 4.12Å; L84-Y88 HydrophobicContact CD2-CE2 3.76Å; L84-Y88 WeakPolarHBondContact O-CB 3.27Å; L84-Y88 VanDerWaalsContact O-CD2 3.29Å; L84-Y88 WeakPolarHBondContact O-CD2 3.42Å; L84-Y88 PolarHBondContact O-N 3.15Å
85E84.4Confident82.9Confident64 Ų6470.1 Ų70.130%0.29936%0.364SS..Hα-helixtrans-56.4-49.9175.4-69.8175.4122.500110.7V61 I81 I87 Y88 Q89V61-E85 HydrophobicContact CG2-CG 3.74Å; I81-E85 HydrophobicContact CG2-CG 4.41Å; I81-E85 WeakPolarHBondContact O-CG 3.38Å; I81-E85 PolarHBondContact O-N 3.01Å; E85-I87 PolarHBondContact O-N 3.08Å; E85-Y88 PolarHBondContact O-N 3.18Å; E85-Q89 WeakPolarHBondContact O-CB 3.05Å; E85-Q89 PolarHBondContact O-N 2.96Å
86S85.5Confident84.1Confident94 Ų9465.6 Ų65.666%0.65733%0.333SS*.Hα-helixtrans-63.6-24.5179.3-174.30000114.5S82 T83 L84S82-S86 WeakPolarHBondContact O-CB 3.48Å; S82-S86 PolarHBondContact O-N 3.39Å; T83-S86 PolarHBondContact O-N 2.6Å; L84-S86 PolarHBondContact O-N 3.06Å
87I84.4Confident84.9Confident80 Ų8064.4 Ų64.441%0.4133%0.329SS..Hα-helixtrans-86.4-44.7178.4-69.4167.1000111T83 L84 E85T83-I87 HydrophobicContact CG2-CD1 3.91Å; T83-I87 WeakPolarHBondContact O-CD1 3.45Å; T83-I87 VanDerWaalsContact O-CG1 3.26Å; T83-I87 WeakPolarHBondContact O-CG1 3.42Å; T83-I87 PolarHBondContact O-N 2.98Å; T83-I87 VanDerWaalsContact O-N 3.08Å; L84-I87 PolarHBondContact O-N 2.99Å; E85-I87 PolarHBondContact O-N 3.08Å
88Y86Confident85.6Confident3 Ų364.6 Ų64.61%0.01233%0.331CS..Hα-helixtrans-104.6-14.5-165.5-64.3-70000114.6L84 E85 R90 D91 P92 K94 L95 T98L84-Y88 HydrophobicContact CB-CD2 4.41Å; L84-Y88 HydrophobicContact CD2-CD2 4.12Å; L84-Y88 HydrophobicContact CD2-CE2 3.76Å; L84-Y88 WeakPolarHBondContact O-CB 3.27Å; L84-Y88 VanDerWaalsContact O-CD2 3.29Å; L84-Y88 WeakPolarHBondContact O-CD2 3.42Å; L84-Y88 PolarHBondContact O-N 3.15Å; E85-Y88 PolarHBondContact O-N 3.18Å; Y88-R90 PolarHBondContact O-N 2.81Å; Y88-D91 CarbonylContact O-C 3.56Å; Y88-D91 PolarHBondContact O-N 3.45Å; Y88-P92 WeakPolarHBondContact O-CA 3.22Å; Y88-P92 WeakPolarHBondContact O-CD 3.39Å; Y88-P92 VanDerWaalsContact O-N 3.08Å; Y88-K94 HydrophobicContact CD1-CB 4Å; Y88-K94 HydrophobicContact CD1-CD 4.41Å; Y88-K94 HydrophobicContact CD1-CG 4.36Å; Y88-K94 HydrophobicContact CE1-CB 4.02Å; Y88-K94 HydrophobicContact CE1-CD 4.04Å; Y88-K94 HydrophobicContact CE1-CG 3.92Å; Y88-L95 HydrophobicContact CD1-CB 3.58Å; Y88-L95 HydrophobicContact CD1-CD1 4.3Å; Y88-L95 VanDerWaalsContact CD1-N 3.3Å; Y88-L95 HydrophobicContact CD2-CB 4.47Å; Y88-L95 HydrophobicContact CD2-CD1 3.86Å; Y88-L95 VanDerWaalsContact CE1-CA 3.48Å; Y88-L95 HydrophobicContact CE1-CB 3.96Å; Y88-L95 HydrophobicContact CE1-CD1 4.21Å; Y88-L95 HydrophobicContact CE2-CD1 3.8Å; Y88-L95 HydrophobicContact CG-CB 3.85Å; Y88-L95 HydrophobicContact CG-CD1 4.1Å; Y88-T98 PolarHBondContact OH-OG1 2.95Å
89Q86.8Confident86.2Confident145 Ų14560.4 Ų60.468%0.67831%0.309SS*.THydrogen-bonded Turntrans-63.5-24.7176.9-177179.668.600113.3E85E85-Q89 WeakPolarHBondContact O-CB 3.05Å; E85-Q89 PolarHBondContact O-N 2.96Å
90R83.8Confident86.7Confident235 Ų23555.8 Ų55.889%0.88729%0.285SS*.THydrogen-bonded Turntrans-84.8-24.7175.6-67.2-175.3179.1-177.50.8114Y88Y88-R90 PolarHBondContact O-N 2.81Å
91D85.9Confident87.2Confident75 Ų7558.4 Ų58.440%0.40130%0.298SS..  trans-149.487.7178.1177.70.7000109.2Y88 L93 K94Y88-D91 CarbonylContact O-C 3.56Å; Y88-D91 PolarHBondContact O-N 3.45Å; D91-L93 PolarHBondContact O-N 3.48Å; D91-L93 WeakPolarHBondContact OD1-CB 3.32Å; D91-L93 PolarHBondContact OD1-N 3.05Å; D91-K94 HydrophobicContact CB-CB 4.32Å; D91-K94 WeakPolarHBondContact O-CB 3.38Å; D91-K94 PolarHBondContact O-N 2.91Å; D91-K94 PolarHBondContact OD1-N 3.35Å
92P87.8Confident87.6Confident20 Ų2058.5 Ų58.513%0.1330%0.298CS..Hα-helixtrans-68.3-21.6177.9-23.836.5000113.2A53 L57 Y88 K94 L95 V96A53-P92 HydrophobicContact CB-CB 3.75Å; L57-P92 HydrophobicContact CD2-CB 4.42Å; L57-P92 HydrophobicContact CD2-CG 4.29Å; Y88-P92 WeakPolarHBondContact O-CA 3.22Å; Y88-P92 WeakPolarHBondContact O-CD 3.39Å; Y88-P92 VanDerWaalsContact O-N 3.08Å; P92-K94 VanDerWaalsContact C-N 3.26Å; P92-K94 PolarHBondContact O-N 2.74Å; P92-L95 WeakPolarHBondContact O-CB 3.45Å; P92-L95 PolarHBondContact O-N 2.77Å; P92-L95 VanDerWaalsContact O-N 3.15Å; P92-V96 PolarHBondContact O-N 2.97Å
93L89.1Confident88Confident40 Ų4055.1 Ų55.121%0.20927%0.274CS..Hα-helixtrans-67.3-30.5176-64.7173.6000111C49 A53 D91 L95 V96 A97C49-L93 HydrophobicContact CB-CD2 4.02Å; A53-L93 HydrophobicContact CB-CD2 3.86Å; A53-L93 HydrophobicContact CB-CG 4.46Å; D91-L93 PolarHBondContact O-N 3.48Å; D91-L93 WeakPolarHBondContact OD1-CB 3.32Å; D91-L93 PolarHBondContact OD1-N 3.05Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 3.36Å; L93-V96 WeakPolarHBondContact O-CB 3.39Å; L93-V96 PolarHBondContact O-N 2.95Å; L93-A97 PolarHBondContact O-N 3Å
94K89.5Confident88.2Confident95 Ų9555.8 Ų55.841%0.41327%0.272SS..Hα-helixtrans-59.1-37171-164-169.9176.6-168.30112.6Y88 D91 P92 A97 T98Y88-K94 HydrophobicContact CD1-CB 4Å; Y88-K94 HydrophobicContact CD1-CD 4.41Å; Y88-K94 HydrophobicContact CD1-CG 4.36Å; Y88-K94 HydrophobicContact CE1-CB 4.02Å; Y88-K94 HydrophobicContact CE1-CD 4.04Å; Y88-K94 HydrophobicContact CE1-CG 3.92Å; D91-K94 HydrophobicContact CB-CB 4.32Å; D91-K94 WeakPolarHBondContact O-CB 3.38Å; D91-K94 PolarHBondContact O-N 2.91Å; D91-K94 PolarHBondContact OD1-N 3.35Å; P92-K94 VanDerWaalsContact C-N 3.26Å; P92-K94 PolarHBondContact O-N 2.74Å; K94-A97 PolarHBondContact O-N 2.83Å; K94-T98 PolarHBondContact O-N 3.42Å; K94-T98 PolarHBondContact O-OG1 3.47Å; K94-T98 VanDerWaalsContact O-OG1 3.11Å
95L90.6Very high88.5Confident2 Ų255.8 Ų55.81%0.0128%0.275CS..Hα-helixtrans-65.6-44.6175.6-177.469.4000110.7W39 L57 Y88 P92 L93 A97 T98 F99W39-L95 HydrophobicContact CH2-CD2 4.5Å; L57-L95 HydrophobicContact CB-CD2 3.99Å; L57-L95 HydrophobicContact CD1-CD2 3.84Å; Y88-L95 HydrophobicContact CD1-CB 3.58Å; Y88-L95 HydrophobicContact CD1-CD1 4.3Å; Y88-L95 VanDerWaalsContact CD1-N 3.3Å; Y88-L95 HydrophobicContact CD2-CB 4.47Å; Y88-L95 HydrophobicContact CD2-CD1 3.86Å; Y88-L95 VanDerWaalsContact CE1-CA 3.48Å; Y88-L95 HydrophobicContact CE1-CB 3.96Å; Y88-L95 HydrophobicContact CE1-CD1 4.21Å; Y88-L95 HydrophobicContact CE2-CD1 3.8Å; Y88-L95 HydrophobicContact CG-CB 3.85Å; Y88-L95 HydrophobicContact CG-CD1 4.1Å; P92-L95 WeakPolarHBondContact O-CB 3.45Å; P92-L95 PolarHBondContact O-N 2.77Å; P92-L95 VanDerWaalsContact O-N 3.15Å; L93-L95 VanDerWaalsContact C-N 3.28Å; L93-L95 PolarHBondContact O-N 3.36Å; L95-A97 VanDerWaalsContact C-N 3.28Å; L95-A97 PolarHBondContact O-N 2.73Å; L95-T98 PolarHBondContact O-N 3.07Å; L95-F99 HydrophobicContact CD1-CD2 3.98Å; L95-F99 HydrophobicContact CD1-CE2 3.55Å; L95-F99 HydrophobicContact CD1-CZ 3.9Å; L95-F99 HydrophobicContact CD2-CD2 4.4Å; L95-F99 HydrophobicContact CD2-CE2 3.93Å; L95-F99 HydrophobicContact CG-CD2 3.82Å; L95-F99 HydrophobicContact CG-CE2 3.67Å; L95-F99 PolarHBondContact O-N 3.36Å
96V91Very high88.8Confident2 Ų252.7 Ų52.71%0.01226%0.261CS..Hα-helixtrans-58.5-42176.5177.70000110.8W39 L42 A53 P92 L93 R100W39-V96 HydrophobicContact CE3-CB 4.29Å; W39-V96 HydrophobicContact CE3-CG1 4.39Å; W39-V96 HydrophobicContact CE3-CG2 3.98Å; W39-V96 HydrophobicContact CZ3-CG2 4.12Å; W39-V96 WeakPolarHBondContact O-CG1 3.36Å; L42-V96 HydrophobicContact CB-CG1 3.94Å; L42-V96 HydrophobicContact CD1-CG1 4.37Å; L42-V96 HydrophobicContact CD1-CG2 4.39Å; A53-V96 HydrophobicContact CB-CG2 3.6Å; P92-V96 PolarHBondContact O-N 2.97Å; L93-V96 WeakPolarHBondContact O-CB 3.39Å; L93-V96 PolarHBondContact O-N 2.95Å; V96-R100 WeakPolarHBondContact O-CB 3.35Å; V96-R100 PolarHBondContact O-N 3.04Å
97A90.7Very high88.9Confident38 Ų3849.1 Ų49.131%0.31423%0.234SC..Hα-helixtrans-64.4-46.1175.100000112.4L93 K94 L95 R100 Q101L93-A97 PolarHBondContact O-N 3Å; K94-A97 PolarHBondContact O-N 2.83Å; L95-A97 VanDerWaalsContact C-N 3.28Å; L95-A97 PolarHBondContact O-N 2.73Å; A97-R100 PolarHBondContact O-N 3.2Å; A97-Q101 WeakPolarHBondContact O-CG 3.38Å; A97-Q101 PolarHBondContact O-N 2.92Å
98T90.8Very high89.1Confident9 Ų950.3 Ų50.36%0.05524%0.236CC..Hα-helixtrans-58.9-48.6176.6-60.80000111.7D21 F22 Y88 K94 L95 R100 Q101 I102D21-T98 HydrophobicContact CB-CG2 3.92Å; F22-T98 HydrophobicContact CB-CG2 3.88Å; Y88-T98 PolarHBondContact OH-OG1 2.95Å; K94-T98 PolarHBondContact O-N 3.42Å; K94-T98 PolarHBondContact O-OG1 3.47Å; K94-T98 VanDerWaalsContact O-OG1 3.11Å; L95-T98 PolarHBondContact O-N 3.07Å; T98-R100 PolarHBondContact O-N 2.78Å; T98-Q101 PolarHBondContact O-N 2.79Å; T98-I102 HydrophobicContact CG2-CD1 3.96Å; T98-I102 WeakPolarHBondContact O-CG1 3.37Å; T98-I102 PolarHBondContact O-N 2.78Å
99F92.1Very high89.1Confident0 Ų050.6 Ų50.60%024%0.239CC..Hα-helixtrans-69.7-32.1178.7-71.6-38.7000113.7F22 L30 L34 W39 T60 L95 I102 L103F22-F99 AromaticContact CD1-CE1 3.76Å; F22-F99 HydrophobicContact CD1-CE1 3.76Å; F22-F99 AromaticContact CD2-CE1 3.79Å; F22-F99 HydrophobicContact CD2-CE1 3.79Å; F22-F99 HydrophobicContact CD2-CZ 4.07Å; F22-F99 AromaticContact CE1-CE1 3.64Å; F22-F99 HydrophobicContact CE1-CE1 3.64Å; F22-F99 HydrophobicContact CE1-CZ 4.14Å; F22-F99 AromaticContact CE2-CE1 3.69Å; F22-F99 HydrophobicContact CE2-CE1 3.69Å; F22-F99 AromaticContact CE2-CZ 3.6Å; F22-F99 HydrophobicContact CE2-CZ 3.6Å; F22-F99 AromaticContact CG-CE1 3.83Å; F22-F99 HydrophobicContact CG-CE1 3.83Å; F22-F99 AromaticContact CZ-CE1 3.62Å; F22-F99 HydrophobicContact CZ-CE1 3.62Å; F22-F99 AromaticContact CZ-CZ 3.64Å; F22-F99 HydrophobicContact CZ-CZ 3.64Å; L30-F99 HydrophobicContact CD1-CE1 4.33Å; L30-F99 HydrophobicContact CD1-CZ 3.88Å; L34-F99 HydrophobicContact CD1-CB 4.46Å; L34-F99 HydrophobicContact CD1-CD1 3.7Å; L34-F99 HydrophobicContact CD1-CD2 3.84Å; L34-F99 HydrophobicContact CD1-CE1 3.71Å; L34-F99 HydrophobicContact CD1-CE2 3.82Å; L34-F99 HydrophobicContact CD1-CG 3.77Å; L34-F99 HydrophobicContact CD1-CZ 3.76Å; L34-F99 HydrophobicContact CD2-CD1 4.02Å; L34-F99 HydrophobicContact CD2-CE1 4.43Å; L34-F99 HydrophobicContact CD2-CG 4.5Å; L34-F99 HydrophobicContact CG-CD1 4.46Å; W39-F99 HydrophobicContact CB-CB 4.42Å; W39-F99 HydrophobicContact CD2-CB 3.82Å; W39-F99 AromaticContact CD2-CD2 3.89Å; W39-F99 HydrophobicContact CD2-CD2 3.89Å; W39-F99 HydrophobicContact CD2-CG 4.32Å; W39-F99 AromaticContact CE2-CD2 3.62Å; W39-F99 HydrophobicContact CE3-CB 4.27Å; W39-F99 AromaticContact CE3-CD2 3.92Å; W39-F99 HydrophobicContact CE3-CD2 3.92Å; W39-F99 HydrophobicContact CG-CB 3.91Å; W39-F99 AromaticContact CH2-CD2 3.45Å; W39-F99 HydrophobicContact CH2-CD2 3.45Å; W39-F99 VanDerWaalsContact CH2-CD2 3.45Å; W39-F99 AromaticContact CH2-CE2 3.68Å; W39-F99 HydrophobicContact CH2-CE2 3.68Å; W39-F99 AromaticContact CZ2-CD2 3.42Å; W39-F99 HydrophobicContact CZ2-CD2 3.42Å; W39-F99 VanDerWaalsContact CZ2-CD2 3.42Å; W39-F99 AromaticContact CZ2-CE2 3.73Å; W39-F99 HydrophobicContact CZ2-CE2 3.73Å; W39-F99 HydrophobicContact CZ2-CG 4.35Å; W39-F99 AromaticContact CZ3-CD2 3.7Å; W39-F99 HydrophobicContact CZ3-CD2 3.7Å; W39-F99 HydrophobicContact CZ3-CE2 4.29Å; T60-F99 HydrophobicContact CG2-CE2 4.07Å; T60-F99 HydrophobicContact CG2-CZ 4.03Å; L95-F99 HydrophobicContact CD1-CD2 3.98Å; L95-F99 HydrophobicContact CD1-CE2 3.55Å; L95-F99 HydrophobicContact CD1-CZ 3.9Å; L95-F99 HydrophobicContact CD2-CD2 4.4Å; L95-F99 HydrophobicContact CD2-CE2 3.93Å; L95-F99 HydrophobicContact CG-CD2 3.82Å; L95-F99 HydrophobicContact CG-CE2 3.67Å; L95-F99 PolarHBondContact O-N 3.36Å; F99-I102 HydrophobicContact CD1-CD1 4.31Å; F99-I102 PolarHBondContact O-N 2.75Å; F99-L103 WeakPolarHBondContact O-CB 3.43Å; F99-L103 WeakPolarHBondContact O-CG 3.4Å; F99-L103 PolarHBondContact O-N 3.4Å
100R90.6Very high89.1Confident43 Ų4343.7 Ų43.716%0.16221%0.207CC..Hα-helixtrans-60.4-49.1170.7-179.9-178.1-53.716010.5111.2W39 E40 L42 V96 A97 T98 I102 L103 Q104W39-R100 PolarHBondContact O-NE 3.19Å; W39-R100 PolarHBondContact O-NH2 2.74Å; E40-R100 HydrophobicContact CG-CG 4.32Å; L42-R100 VanDerWaalsContact C-NH2 3.28Å; L42-R100 PolarHBondContact O-NH2 3.45Å; V96-R100 WeakPolarHBondContact O-CB 3.35Å; V96-R100 PolarHBondContact O-N 3.04Å; A97-R100 PolarHBondContact O-N 3.2Å; T98-R100 PolarHBondContact O-N 2.78Å; R100-I102 VanDerWaalsContact C-N 3.35Å; R100-I102 PolarHBondContact O-N 2.93Å; R100-L103 PolarHBondContact O-N 3.13Å; R100-Q104 HydrophobicContact CG-CG 4.42Å; R100-Q104 WeakPolarHBondContact O-CB 3.34Å; R100-Q104 VanDerWaalsContact O-CG 3.23Å; R100-Q104 WeakPolarHBondContact O-CG 3.28Å; R100-Q104 PolarHBondContact O-N 3.46Å
101Q90.7Very high89Confident121 Ų12136.7 Ų36.757%0.56519%0.185SC*.Hα-helixtrans-61.4-42.2178.5-73.1173.5-13.100112.1A97 T98 G105A97-Q101 WeakPolarHBondContact O-CG 3.38Å; A97-Q101 PolarHBondContact O-N 2.92Å; T98-Q101 PolarHBondContact O-N 2.79Å; Q101-G105 PolarHBondContact O-N 3.43Å
102I91.3Very high89Confident4 Ų439.6 Ų39.62%0.02120%0.196CC..Hα-helixtrans-61.3-51.2175.9-72.6164.7000111.1L18 Y19 F22 T98 F99 R100 Q104 G105 E106L18-I102 WeakPolarHBondContact O-CG1 3.47Å; Y19-I102 HydrophobicContact CD1-CD1 4.46Å; Y19-I102 HydrophobicContact CD1-CG2 4.4Å; Y19-I102 HydrophobicContact CE1-CG2 3.72Å; F22-I102 HydrophobicContact CB-CD1 3.74Å; F22-I102 HydrophobicContact CG-CD1 4.45Å; T98-I102 HydrophobicContact CG2-CD1 3.96Å; T98-I102 WeakPolarHBondContact O-CG1 3.37Å; T98-I102 PolarHBondContact O-N 2.78Å; F99-I102 HydrophobicContact CD1-CD1 4.31Å; F99-I102 PolarHBondContact O-N 2.75Å; R100-I102 VanDerWaalsContact C-N 3.35Å; R100-I102 PolarHBondContact O-N 2.93Å; I102-Q104 PolarHBondContact O-N 2.81Å; I102-G105 PolarHBondContact O-N 2.99Å; I102-E106 HydrophobicContact CG2-CG 4.46Å; I102-E106 WeakPolarHBondContact CG2-OE1 2.81Å; I102-E106 WeakPolarHBondContact O-CB 3.45Å; I102-E106 WeakPolarHBondContact O-CG 3.4Å; I102-E106 PolarHBondContact O-N 3.26Å
103L89.7Confident88.8Confident1 Ų141.6 Ų41.61%0.00520%0.204CC..Hα-helixtrans-65.9-36.9-179.4-73.3169.4000112.5L3 L34 E35 W39 F99 R100 E106 K107L3-L103 HydrophobicContact CD2-CD2 4.11Å; L34-L103 HydrophobicContact CD2-CD1 4.44Å; L34-L103 HydrophobicContact CD2-CD2 4.24Å; L34-L103 HydrophobicContact CD2-CG 4.24Å; E35-L103 HydrophobicContact CG-CD2 4.18Å; W39-L103 HydrophobicContact CG-CD1 4.36Å; F99-L103 WeakPolarHBondContact O-CB 3.43Å; F99-L103 WeakPolarHBondContact O-CG 3.4Å; F99-L103 PolarHBondContact O-N 3.4Å; R100-L103 PolarHBondContact O-N 3.13Å; L103-E106 PolarHBondContact O-N 2.87Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 WeakPolarHBondContact O-CG 3.48Å; L103-K107 PolarHBondContact O-N 3.31Å
104Q89Confident88.3Confident87 Ų8742.5 Ų42.541%0.40721%0.206SC..Hα-helixtrans-64.8-41.1173.1-73.5173.4-20.900111.8R100 I102 K107 K108R100-Q104 HydrophobicContact CG-CG 4.42Å; R100-Q104 WeakPolarHBondContact O-CB 3.34Å; R100-Q104 VanDerWaalsContact O-CG 3.23Å; R100-Q104 WeakPolarHBondContact O-CG 3.28Å; R100-Q104 PolarHBondContact O-N 3.46Å; I102-Q104 PolarHBondContact O-N 2.81Å; Q104-K107 PolarHBondContact O-N 3Å; Q104-K108 WeakPolarHBondContact O-CB 3.32Å; Q104-K108 PolarHBondContact O-N 2.91Å
105G89.2Confident87.7Confident13 Ų1348.4 Ų48.413%0.13423%0.226CC..Hα-helixtrans-63.9-44.6173.700000113.1L18 Q101 I102 K108 A109L18-G105 VanDerWaalsContact CD1-C 3.46Å; Q101-G105 PolarHBondContact O-N 3.43Å; I102-G105 PolarHBondContact O-N 2.99Å; G105-K108 PolarHBondContact O-N 2.93Å; G105-A109 WeakPolarHBondContact O-CB 3.34Å; G105-A109 PolarHBondContact O-N 3.26Å
106E89.9Confident87Confident0 Ų049.5 Ų49.50%023%0.231CC..Hα-helixtrans-59.3-47.1174.8-77.3179.3-168.400111.3L3 V7 L18 Y19 R27 I102 L103 K108 A109 V110L3-E106 HydrophobicContact CD2-CB 3.79Å; L3-E106 HydrophobicContact CG-CB 4.2Å; V7-E106 HydrophobicContact CG1-CG 4.13Å; V7-E106 HydrophobicContact CG2-CB 3.79Å; V7-E106 HydrophobicContact CG2-CG 3.8Å; L18-E106 HydrophobicContact CD1-CG 4.22Å; Y19-E106 PolarHBondContact OH-OE1 3.4Å; R27-E106 IonicContact CZ-OE1 2.73Å; R27-E106 IonicContact CZ-OE2 2.79Å; R27-E106 IonicContact NE-OE1 3.61Å; R27-E106 PolarHBondContact NE-OE1 3.08Å; R27-E106 IonicContact NE-OE2 3.93Å; R27-E106 PolarHBondContact NE-OE2 3.49Å; R27-E106 IonicContact NH2-OE1 3.26Å; R27-E106 IonicContact NH2-OE2 2.75Å; R27-E106 PolarHBondContact NH2-OE2 3.16Å; I102-E106 HydrophobicContact CG2-CG 4.46Å; I102-E106 WeakPolarHBondContact CG2-OE1 2.81Å; I102-E106 WeakPolarHBondContact O-CB 3.45Å; I102-E106 WeakPolarHBondContact O-CG 3.4Å; I102-E106 PolarHBondContact O-N 3.26Å; L103-E106 PolarHBondContact O-N 2.87Å; E106-K108 PolarHBondContact O-N 3.49Å; E106-A109 PolarHBondContact O-N 2.77Å; E106-V110 WeakPolarHBondContact O-CB 3.37Å; E106-V110 WeakPolarHBondContact O-CG2 3.11Å; E106-V110 PolarHBondContact O-N 3.48Å
107K88.3Confident86.2Confident18 Ų1850.1 Ų50.18%0.07823%0.234CC..Hα-helixtrans-57.9-47174.7-72.1168.2-163.8-157.30111.9L3 E40 L103 Q104 V110 M111 L117 F121L3-K107 HydrophobicContact CD1-CG 4.46Å; L3-K107 HydrophobicContact CD2-CG 3.98Å; E40-K107 WeakPolarHBondContact OE1-CE 3.44Å; E40-K107 IonicContact OE1-NZ 3.33Å; E40-K107 PolarHBondContact OE1-NZ 3.32Å; E40-K107 IonicContact OE2-NZ 2.99Å; E40-K107 PolarHBondContact OE2-NZ 3.05Å; L103-K107 WeakPolarHBondContact O-CB 3.44Å; L103-K107 WeakPolarHBondContact O-CG 3.48Å; L103-K107 PolarHBondContact O-N 3.31Å; Q104-K107 PolarHBondContact O-N 3Å; K107-V110 PolarHBondContact O-N 3.43Å; K107-M111 WeakPolarHBondContact O-CB 3.23Å; K107-M111 WeakPolarHBondContact O-CG 3.42Å; K107-M111 PolarHBondContact O-N 3.07Å; K107-L117 HydrophobicContact CB-CD1 4.47Å; K107-L117 HydrophobicContact CB-CD2 4.28Å; K107-L117 HydrophobicContact CG-CD1 4.35Å; K107-L117 HydrophobicContact CG-CD2 4.27Å; K107-F121 HydrophobicContact CD-CE1 4.19Å; K107-F121 HydrophobicContact CD-CZ 4.48Å; K107-F121 HydrophobicContact CG-CE1 4.25Å
108K87.5Confident85.4Confident105 Ų10548.7 Ų48.746%0.45722%0.222SC..Hα-helixtrans-62.1-48.8179.9179.2174.8171.1177.90111.3Q104 G105 E106 V110 M111 E112 F791Q104-K108 WeakPolarHBondContact O-CB 3.32Å; Q104-K108 PolarHBondContact O-N 2.91Å; G105-K108 PolarHBondContact O-N 2.93Å; E106-K108 PolarHBondContact O-N 3.49Å; K108-V110 VanDerWaalsContact C-N 3.32Å; K108-V110 PolarHBondContact O-N 3.42Å; K108-M111 PolarHBondContact O-N 3.02Å; K108-E112 WeakPolarHBondContact CE-OE1 3.42Å; K108-E112 HydrophobicContact CG-CG 4.48Å; K108-E112 IonicContact NZ-OE1 3.23Å; K108-E112 WeakPolarHBondContact O-CG 3.34Å; K108-E112 PolarHBondContact O-N 2.96Å; K108-F791 HydrophobicContact CD-CZ 4.32Å
109A87.4Confident84.5Confident10 Ų1048.8 Ų48.88%0.08322%0.222CC..Hα-helixtrans-61.1-40.6178.800000112.1M10 V15 G105 E106 E112 Q113M10-A109 HydrophobicContact CE-CB 3.8Å; M10-A109 WeakPolarHBondContact CE-O 3.42Å; M10-A109 HydrophobicContact SD-CB 4.22Å; V15-A109 HydrophobicContact CG1-CB 4.2Å; G105-A109 WeakPolarHBondContact O-CB 3.34Å; G105-A109 PolarHBondContact O-N 3.26Å; E106-A109 PolarHBondContact O-N 2.77Å; A109-E112 PolarHBondContact O-N 2.98Å; A109-Q113 WeakPolarHBondContact O-CB 3.44Å; A109-Q113 PolarHBondContact O-N 3.28Å
110V85.8Confident83.7Confident0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-66.9-42.4175.3168.60000111.6L3 L6 V7 M10 E106 K107 K108 E112 Q113 F114 L117L3-V110 HydrophobicContact CD1-CB 4.17Å; L3-V110 HydrophobicContact CD1-CG1 4.37Å; L3-V110 HydrophobicContact CD1-CG2 3.91Å; L6-V110 HydrophobicContact CB-CG1 4.38Å; L6-V110 HydrophobicContact CB-CG2 4.02Å; L6-V110 HydrophobicContact CD1-CG1 3.66Å; V7-V110 HydrophobicContact CG2-CG2 3.76Å; M10-V110 HydrophobicContact SD-CG2 3.93Å; E106-V110 WeakPolarHBondContact O-CB 3.37Å; E106-V110 WeakPolarHBondContact O-CG2 3.11Å; E106-V110 PolarHBondContact O-N 3.48Å; K107-V110 PolarHBondContact O-N 3.43Å; K108-V110 VanDerWaalsContact C-N 3.32Å; K108-V110 PolarHBondContact O-N 3.42Å; V110-E112 PolarHBondContact O-N 3.06Å; V110-Q113 PolarHBondContact O-N 2.91Å; V110-F114 HydrophobicContact CB-CD2 4.39Å; V110-F114 HydrophobicContact CG1-CD2 3.96Å; V110-F114 WeakPolarHBondContact O-CB 3.42Å; V110-F114 WeakPolarHBondContact O-CD2 3.47Å; V110-F114 PolarHBondContact O-N 3.18Å; V110-L117 HydrophobicContact CB-CD2 4.17Å; V110-L117 HydrophobicContact CG1-CD2 3.8Å
111M82.3Confident83.2Confident87 Ų8750.1 Ų50.143%0.42924%0.236SC..Hα-helixtrans-62.8-40.9174.3-78.2-63.4-67.300112.6K107 K108 R115 H116 L117K107-M111 WeakPolarHBondContact O-CB 3.23Å; K107-M111 WeakPolarHBondContact O-CG 3.42Å; K107-M111 PolarHBondContact O-N 3.07Å; K108-M111 PolarHBondContact O-N 3.02Å; M111-R115 WeakPolarHBondContact O-CA 3.37Å; M111-R115 PolarHBondContact O-N 3.43Å; M111-H116 VanDerWaalsContact SD-C 3.54Å; M111-L117 HydrophobicContact CG-CD1 4.27Å; M111-L117 HydrophobicContact CG-CD2 4.35Å; M111-L117 HydrophobicContact CG-CG 3.97Å; M111-L117 HydrophobicContact SD-CD1 4.39Å; M111-L117 HydrophobicContact SD-CG 3.86Å
112E85.7Confident82.7Confident136 Ų13645.8 Ų45.864%0.63622%0.215SC*.Hα-helixtrans-65.7-37.4177.1-74.3174.5177.100112.6K108 A109 V110K108-E112 WeakPolarHBondContact CE-OE1 3.42Å; K108-E112 HydrophobicContact CG-CG 4.48Å; K108-E112 IonicContact NZ-OE1 3.23Å; K108-E112 WeakPolarHBondContact O-CG 3.34Å; K108-E112 PolarHBondContact O-N 2.96Å; A109-E112 PolarHBondContact O-N 2.98Å; V110-E112 PolarHBondContact O-N 3.06Å
113Q83.2Confident82Confident63 Ų6350.8 Ų50.829%0.29423%0.234SC..Hα-helixtrans-86.6-40.6-178.3-179.5160.8-55.500114.1M10 A109 V110M10-Q113 HydrophobicContact CE-CB 3.94Å; A109-Q113 WeakPolarHBondContact O-CB 3.44Å; A109-Q113 PolarHBondContact O-N 3.28Å; V110-Q113 PolarHBondContact O-N 2.91Å
114F78.7Confident81.7Confident59 Ų5953.2 Ų53.226%0.25925%0.245SC..Hα-helixtrans-111.8-9.7-170.3-58.1-82.5000113.7L6 M10 V110 H116L6-F114 HydrophobicContact CB-CE2 4.19Å; L6-F114 HydrophobicContact CD2-CE1 4.46Å; L6-F114 HydrophobicContact CD2-CZ 4.32Å; M10-F114 HydrophobicContact CG-CE2 4.03Å; M10-F114 HydrophobicContact SD-CE2 4.22Å; V110-F114 HydrophobicContact CB-CD2 4.39Å; V110-F114 HydrophobicContact CG1-CD2 3.96Å; V110-F114 WeakPolarHBondContact O-CB 3.42Å; V110-F114 WeakPolarHBondContact O-CD2 3.47Å; V110-F114 PolarHBondContact O-N 3.18Å; F114-H116 PolarHBondContact O-N 3.34Å; F114-H116 VanDerWaalsContact O-N 3.15Å; F114-H116 PolarHBondContact O-ND1 3.3Å
115R76.8Confident81.5Confident218 Ų21849.4 Ų49.482%0.82323%0.227SC*.SBendtrans58.316.4-178.1-56.1-173.3-179.9-172.10.8115.9M111M111-R115 WeakPolarHBondContact O-CA 3.37Å; M111-R115 PolarHBondContact O-N 3.43Å
116H75.6Confident81.3Confident26 Ų2651 Ų5112%0.1223%0.231CC..SBendtrans-156163.6174.469.2-76000109.8M111 F114 E808M111-H116 VanDerWaalsContact SD-C 3.54Å; F114-H116 PolarHBondContact O-N 3.34Å; F114-H116 VanDerWaalsContact O-N 3.15Å; F114-H116 PolarHBondContact O-ND1 3.3Å; H116-E808 IonicContact NE2-OE2 2.77Å
117L76.1Confident81.1Confident15 Ų1554.7 Ų54.78%0.07925%0.248CC..  trans-111.5156.1168-72.1167.7000109.9L3 K107 V110 M111 M119 H122L3-L117 HydrophobicContact CD1-CD2 3.79Å; K107-L117 HydrophobicContact CB-CD1 4.47Å; K107-L117 HydrophobicContact CB-CD2 4.28Å; K107-L117 HydrophobicContact CG-CD1 4.35Å; K107-L117 HydrophobicContact CG-CD2 4.27Å; V110-L117 HydrophobicContact CB-CD2 4.17Å; V110-L117 HydrophobicContact CG1-CD2 3.8Å; M111-L117 HydrophobicContact CG-CD1 4.27Å; M111-L117 HydrophobicContact CG-CD2 4.35Å; M111-L117 HydrophobicContact CG-CG 3.97Å; M111-L117 HydrophobicContact SD-CD1 4.39Å; M111-L117 HydrophobicContact SD-CG 3.86Å; L117-M119 PolarHBondContact O-N 3.47Å; L117-H122 WeakPolarHBondContact CB-NE2 3.48Å
118P73.1Confident81.2Confident8 Ų855 Ų555%0.05225%0.25CC..  trans-63.1132.8179.2-21.532.7000112.7M1 L6 P120 F121 H122M1-P118 VanDerWaalsContact O-CB 3.29Å; M1-P118 WeakPolarHBondContact O-CB 3.38Å; L6-P118 HydrophobicContact CD1-CG 3.73Å; L6-P118 HydrophobicContact CG-CG 4.43Å; P118-P120 VanDerWaalsContact C-CD 3.45Å; P118-F121 HydrophobicContact CB-CB 4.17Å; P118-F121 WeakPolarHBondContact O-CA 3.18Å; P118-F121 VanDerWaalsContact O-CB 3.26Å; P118-F121 WeakPolarHBondContact O-CB 3.12Å; P118-F121 PolarHBondContact O-N 2.79Å; P118-H122 PolarHBondContact O-N 2.98Å
119M71.1Confident81.3Confident11 Ų1153.6 Ų53.65%0.05424%0.244CC..Hα-helixtrans-52.5-43.4175.5-168.16255.400113.9L117 F121 H122 W123 P797 D801 L802 L805L117-M119 PolarHBondContact O-N 3.47Å; M119-F121 PolarHBondContact O-N 3.2Å; M119-H122 PolarHBondContact O-N 3.36Å; M119-H122 VanDerWaalsContact O-N 3.15Å; M119-W123 HydrophobicContact CG-CD2 4.02Å; M119-W123 VanDerWaalsContact CG-CE2 3.41Å; M119-W123 HydrophobicContact CG-CE3 4.42Å; M119-W123 HydrophobicContact CG-CH2 3.76Å; M119-W123 HydrophobicContact CG-CZ2 3.27Å; M119-W123 HydrophobicContact CG-CZ3 4.3Å; M119-W123 PolarHBondContact O-N 3Å; M119-W123 VanDerWaalsContact O-N 3.12Å; M119-W123 HydrophobicContact SD-CZ2 4.05Å; M119-P797 HydrophobicContact CE-CB 3.54Å; M119-P797 HydrophobicContact CE-CG 4.17Å; M119-P797 HydrophobicContact SD-CB 3.56Å; M119-P797 VanDerWaalsContact SD-CB 3.56Å; M119-P797 HydrophobicContact SD-CG 3.56Å; M119-P797 VanDerWaalsContact SD-CG 3.56Å; M119-D801 VanDerWaalsContact CE-C 3.49Å; M119-D801 HydrophobicContact CE-CB 4.13Å; M119-D801 WeakPolarHBondContact CE-O 3.48Å; M119-L802 HydrophobicContact CE-CD2 3.94Å; M119-L802 HydrophobicContact CE-CG 4.37Å; M119-L802 HydrophobicContact SD-CD2 3.93Å; M119-L805 HydrophobicContact CB-CB 4.23Å; M119-L805 HydrophobicContact CB-CD1 4.02Å; M119-L805 HydrophobicContact CE-CB 4.12Å; M119-L805 HydrophobicContact CE-CD1 3.85Å
120P75.6Confident81.4Confident68 Ų6853.3 Ų53.344%0.44224%0.241SC..Hα-helixtrans-62.4-28.3177-22.535.6000112.8P118 K124P118-P120 VanDerWaalsContact C-CD 3.45Å; P120-K124 WeakPolarHBondContact O-CB 3.27Å; P120-K124 PolarHBondContact O-N 2.97Å
121F80.8Confident81.7Confident3 Ų358 Ų581%0.01326%0.261CS..Hα-helixtrans-70.5-44.5175.3-174.8-93.4000111.1L3 E35 K107 P118 M119 W123 K124 Q125L3-F121 HydrophobicContact CB-CD2 3.86Å; L3-F121 HydrophobicContact CB-CE2 4.03Å; L3-F121 HydrophobicContact CB-CG 4.41Å; L3-F121 HydrophobicContact CD2-CE2 4.05Å; L3-F121 HydrophobicContact CD2-CZ 4.06Å; E35-F121 HydrophobicContact CB-CD2 4.4Å; E35-F121 HydrophobicContact CB-CE2 4.02Å; E35-F121 HydrophobicContact CG-CD2 4.36Å; E35-F121 HydrophobicContact CG-CE2 3.93Å; E35-F121 WeakPolarHBondContact OE2-CD2 3.41Å; K107-F121 HydrophobicContact CD-CE1 4.19Å; K107-F121 HydrophobicContact CD-CZ 4.48Å; K107-F121 HydrophobicContact CG-CE1 4.25Å; P118-F121 HydrophobicContact CB-CB 4.17Å; P118-F121 WeakPolarHBondContact O-CA 3.18Å; P118-F121 VanDerWaalsContact O-CB 3.26Å; P118-F121 WeakPolarHBondContact O-CB 3.12Å; P118-F121 PolarHBondContact O-N 2.79Å; M119-F121 PolarHBondContact O-N 3.2Å; F121-W123 PolarHBondContact O-N 3.02Å; F121-K124 PolarHBondContact O-N 3.41Å; F121-Q125 HydrophobicContact CD1-CG 3.91Å; F121-Q125 HydrophobicContact CE1-CG 3.41Å; F121-Q125 VanDerWaalsContact CE1-CG 3.41Å; F121-Q125 HydrophobicContact CE2-CG 4.09Å; F121-Q125 HydrophobicContact CG-CG 4.41Å; F121-Q125 VanDerWaalsContact CZ-CD 3.43Å; F121-Q125 HydrophobicContact CZ-CG 3.49Å; F121-Q125 VanDerWaalsContact CZ-CG 3.49Å; F121-Q125 WeakPolarHBondContact O-CB 3.44Å; F121-Q125 WeakPolarHBondContact O-CG 3.46Å; F121-Q125 PolarHBondContact O-N 2.98Å
122H79.1Confident82.2Confident29 Ų2954.2 Ų54.213%0.13424%0.243CC..Hα-helixtrans-57.3-46.2173.7-81.2-93.2000112.5L117 P118 M119 Q125 E126L117-H122 WeakPolarHBondContact CB-NE2 3.48Å; P118-H122 PolarHBondContact O-N 2.98Å; M119-H122 PolarHBondContact O-N 3.36Å; M119-H122 VanDerWaalsContact O-N 3.15Å; H122-Q125 PolarHBondContact O-N 3.48Å; H122-E126 WeakPolarHBondContact O-CB 3.43Å; H122-E126 PolarHBondContact O-N 3.43Å
123W77.4Confident82.5Confident110 Ų11049 Ų4942%0.41722%0.224SC..Hα-helixtrans-63.5-44.8178.2-61.7-24000112.3M119 F121 Q125 E126 E127M119-W123 HydrophobicContact CG-CD2 4.02Å; M119-W123 VanDerWaalsContact CG-CE2 3.41Å; M119-W123 HydrophobicContact CG-CE3 4.42Å; M119-W123 HydrophobicContact CG-CH2 3.76Å; M119-W123 HydrophobicContact CG-CZ2 3.27Å; M119-W123 HydrophobicContact CG-CZ3 4.3Å; M119-W123 PolarHBondContact O-N 3Å; M119-W123 VanDerWaalsContact O-N 3.12Å; M119-W123 HydrophobicContact SD-CZ2 4.05Å; F121-W123 PolarHBondContact O-N 3.02Å; W123-Q125 VanDerWaalsContact C-N 3.32Å; W123-Q125 PolarHBondContact O-N 2.94Å; W123-E126 PolarHBondContact O-N 3.46Å; W123-E127 WeakPolarHBondContact O-CB 3.33Å; W123-E127 PolarHBondContact O-N 2.91Å
124K83.3Confident83Confident52 Ų5247 Ų4723%0.22622%0.215CC..Hα-helixtrans-59.8-40176.9-172.2178.2-175.6-1730111.9D32 E35 S36 P120 F121 L128D32-K124 PolarHBondContact O-NZ 3.29Å; E35-K124 VanDerWaalsContact C-CE 3.45Å; E35-K124 WeakPolarHBondContact O-CE 3.46Å; E35-K124 IonicContact OE2-NZ 3.47Å; S36-K124 VanDerWaalsContact CB-CE 3.5Å; P120-K124 WeakPolarHBondContact O-CB 3.27Å; P120-K124 PolarHBondContact O-N 2.97Å; F121-K124 PolarHBondContact O-N 3.41Å; K124-L128 HydrophobicContact CG-CD1 4.41Å; K124-L128 WeakPolarHBondContact O-CB 3.34Å; K124-L128 WeakPolarHBondContact O-CD1 3.3Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 3.47Å
125Q84.3Confident83.7Confident7 Ų750.9 Ų50.93%0.03323%0.228CC..Hα-helixtrans-72.8-37.1176.6-64-74.6-83.500113E40 F41 F121 H122 W123 L128 K129 L794E40-Q125 PolarHBondContact OE2-OE1 3.29Å; F41-Q125 HydrophobicContact CZ-CB 4.47Å; F41-Q125 WeakPolarHBondContact CZ-O 3.48Å; F121-Q125 HydrophobicContact CD1-CG 3.91Å; F121-Q125 HydrophobicContact CE1-CG 3.41Å; F121-Q125 VanDerWaalsContact CE1-CG 3.41Å; F121-Q125 HydrophobicContact CE2-CG 4.09Å; F121-Q125 HydrophobicContact CG-CG 4.41Å; F121-Q125 VanDerWaalsContact CZ-CD 3.43Å; F121-Q125 HydrophobicContact CZ-CG 3.49Å; F121-Q125 VanDerWaalsContact CZ-CG 3.49Å; F121-Q125 WeakPolarHBondContact O-CB 3.44Å; F121-Q125 WeakPolarHBondContact O-CG 3.46Å; F121-Q125 PolarHBondContact O-N 2.98Å; H122-Q125 PolarHBondContact O-N 3.48Å; W123-Q125 VanDerWaalsContact C-N 3.32Å; W123-Q125 PolarHBondContact O-N 2.94Å; Q125-L128 PolarHBondContact O-N 2.96Å; Q125-K129 WeakPolarHBondContact O-CB 3.28Å; Q125-K129 PolarHBondContact O-N 3.02Å; Q125-L794 HydrophobicContact CB-CD1 4.11Å
126E86Confident84.5Confident47 Ų4742.5 Ų42.522%0.2220%0.196CC..Hα-helixtrans-60.7-46.1172.7-173.8-77.9153.100111.3H122 W123 K129 F130 R227H122-E126 WeakPolarHBondContact O-CB 3.43Å; H122-E126 PolarHBondContact O-N 3.43Å; W123-E126 PolarHBondContact O-N 3.46Å; E126-K129 PolarHBondContact O-N 3.5Å; E126-F130 PolarHBondContact O-N 2.96Å; E126-R227 IonicContact OE1-CZ 2.72Å; E126-R227 IonicContact OE1-NH1 3.25Å; E126-R227 PolarHBondContact OE1-NH1 2.84Å; E126-R227 IonicContact OE1-NH2 3.5Å; E126-R227 IonicContact OE2-CZ 2.69Å; E126-R227 IonicContact OE2-NH1 2.83Å; E126-R227 PolarHBondContact OE2-NH1 3.23Å; E126-R227 IonicContact OE2-NH2 3.81Å; E126-R227 PolarHBondContact OE2-NH2 2.88Å
127E86.4Confident85.4Confident77 Ų7741.3 Ų41.336%0.3619%0.19SC..Hα-helixtrans-64.7-43.7178.5-174.5-177.8-17000112W123 F130 K131W123-E127 WeakPolarHBondContact O-CB 3.33Å; W123-E127 PolarHBondContact O-N 2.91Å; E127-F130 PolarHBondContact O-N 2.9Å; E127-K131 HydrophobicContact CG-CD 4Å; E127-K131 HydrophobicContact CG-CG 4.46Å; E127-K131 WeakPolarHBondContact O-CB 3.36Å; E127-K131 WeakPolarHBondContact O-CG 3.36Å; E127-K131 PolarHBondContact O-N 3.46Å; E127-K131 VanDerWaalsContact OE1-CE 3.23Å; E127-K131 WeakPolarHBondContact OE1-CE 3.44Å; E127-K131 IonicContact OE1-NZ 3.26Å; E127-K131 PolarHBondContact OE1-NZ 2.76Å
128L89.3Confident86.3Confident23 Ų2345.3 Ų45.312%0.1221%0.209CC..Hα-helixtrans-63.1-40.3175.2-75.2167.5000112.2S36 F41 K124 Q125 K131 T132S36-L128 VanDerWaalsContact O-CD2 3.29Å; S36-L128 WeakPolarHBondContact O-CD2 3.48Å; F41-L128 HydrophobicContact CD2-CB 4.08Å; F41-L128 HydrophobicContact CE2-CB 3.69Å; K124-L128 HydrophobicContact CG-CD1 4.41Å; K124-L128 WeakPolarHBondContact O-CB 3.34Å; K124-L128 WeakPolarHBondContact O-CD1 3.3Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 3.47Å; Q125-L128 PolarHBondContact O-N 2.96Å; L128-K131 PolarHBondContact O-N 2.95Å; L128-T132 WeakPolarHBondContact O-CB 3.23Å; L128-T132 PolarHBondContact O-N 3.39Å; L128-T132 PolarHBondContact O-OG1 3.38Å
129K89.8Confident87.2Confident77 Ų7747.5 Ų47.534%0.33522%0.218SC..Hα-helixtrans-60-47.4175.3-172.3171.2-178.3169.90110.9F41 Q125 E126 A133 L196F41-K129 HydrophobicContact CD1-CB 3.99Å; F41-K129 HydrophobicContact CD1-CD 4.29Å; F41-K129 HydrophobicContact CD1-CG 3.88Å; F41-K129 HydrophobicContact CD2-CB 4.32Å; F41-K129 HydrophobicContact CE1-CB 3.71Å; F41-K129 HydrophobicContact CE1-CD 3.97Å; F41-K129 HydrophobicContact CE1-CG 3.87Å; F41-K129 HydrophobicContact CE2-CB 4.07Å; F41-K129 HydrophobicContact CG-CB 4.3Å; F41-K129 HydrophobicContact CG-CG 4.46Å; F41-K129 HydrophobicContact CZ-CB 3.76Å; F41-K129 HydrophobicContact CZ-CG 4.44Å; Q125-K129 WeakPolarHBondContact O-CB 3.28Å; Q125-K129 PolarHBondContact O-N 3.02Å; E126-K129 PolarHBondContact O-N 3.5Å; K129-A133 PolarHBondContact O-N 3.25Å; K129-A133 VanDerWaalsContact O-N 3.1Å; K129-L196 HydrophobicContact CD-CD2 4.34Å; K129-L196 HydrophobicContact CG-CD1 4.19Å
130F90.4Very high88.2Confident4 Ų448.7 Ų48.72%0.01822%0.222CC..Hα-helixtrans-64.1-49.5177.2179.8-97.7000112.4E126 E127 T132 A133 L134 L196 V197 R227 L231E126-F130 PolarHBondContact O-N 2.96Å; E127-F130 PolarHBondContact O-N 2.9Å; F130-T132 VanDerWaalsContact C-N 3.26Å; F130-T132 PolarHBondContact O-N 2.7Å; F130-A133 PolarHBondContact O-N 3.35Å; F130-L134 HydrophobicContact CE1-CB 4.36Å; F130-L134 HydrophobicContact CE1-CD1 4.34Å; F130-L134 HydrophobicContact CE1-CD2 4.18Å; F130-L134 HydrophobicContact CZ-CD1 3.97Å; F130-L134 WeakPolarHBondContact O-CB 3.42Å; F130-L134 PolarHBondContact O-N 2.87Å; F130-L196 HydrophobicContact CD2-CB 4.48Å; F130-V197 HydrophobicContact CD2-CG2 3.79Å; F130-V197 HydrophobicContact CE2-CG2 3.27Å; F130-V197 HydrophobicContact CZ-CG2 3.85Å; F130-R227 HydrophobicContact CD1-CB 4.41Å; F130-R227 HydrophobicContact CD1-CG 3.74Å; F130-R227 HydrophobicContact CE1-CB 3.72Å; F130-R227 HydrophobicContact CE1-CG 3.43Å; F130-R227 VanDerWaalsContact CE1-CG 3.43Å; F130-R227 HydrophobicContact CZ-CB 3.83Å; F130-R227 HydrophobicContact CZ-CG 4.07Å; F130-L231 HydrophobicContact CE2-CD1 4.19Å; F130-L231 HydrophobicContact CE2-CD2 4.11Å; F130-L231 HydrophobicContact CE2-CG 4.22Å; F130-L231 HydrophobicContact CZ-CD2 4.17Å; F130-L231 HydrophobicContact CZ-CG 4.13Å
131K91.6Very high89.1Confident97 Ų9746 Ų4642%0.42220%0.204SC..Hα-helixtrans-61.4-33.7-179.9-74.7179.2172.9174.90112.5E127 L128 R135E127-K131 HydrophobicContact CG-CD 4Å; E127-K131 HydrophobicContact CG-CG 4.46Å; E127-K131 WeakPolarHBondContact O-CB 3.36Å; E127-K131 WeakPolarHBondContact O-CG 3.36Å; E127-K131 PolarHBondContact O-N 3.46Å; E127-K131 VanDerWaalsContact OE1-CE 3.23Å; E127-K131 WeakPolarHBondContact OE1-CE 3.44Å; E127-K131 IonicContact OE1-NZ 3.26Å; E127-K131 PolarHBondContact OE1-NZ 2.76Å; L128-K131 PolarHBondContact O-N 2.95Å; K131-R135 WeakPolarHBondContact O-CG 3.36Å; K131-R135 PolarHBondContact O-N 3.32Å; K131-R135 VanDerWaalsContact O-N 3.07Å
132T91.6Very high89.6Confident9 Ų947.4 Ų47.46%0.05522%0.22CC..Hα-helixtrans-71.2-44.3176.3-50.80000111.6P38 F41 L42 F48 L128 F130 L134 R135 R136P38-T132 HydrophobicContact CB-CG2 4.38Å; P38-T132 WeakPolarHBondContact CB-OG1 3.45Å; F41-T132 HydrophobicContact CB-CG2 3.94Å; L42-T132 HydrophobicContact CD2-CG2 3.89Å; F48-T132 HydrophobicContact CE1-CG2 4.29Å; F48-T132 HydrophobicContact CZ-CG2 4.32Å; L128-T132 WeakPolarHBondContact O-CB 3.23Å; L128-T132 PolarHBondContact O-N 3.39Å; L128-T132 PolarHBondContact O-OG1 3.38Å; F130-T132 VanDerWaalsContact C-N 3.26Å; F130-T132 PolarHBondContact O-N 2.7Å; T132-L134 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 2.68Å; T132-R135 PolarHBondContact O-N 2.72Å; T132-R136 WeakPolarHBondContact O-CB 3.29Å; T132-R136 PolarHBondContact O-N 2.87Å
133A91.6Very high90.2Very high27 Ų2749.4 Ų49.422%0.22323%0.23CC..Hα-helixtrans-61.6-40.4174.100000112.1K129 F130 R136 L137K129-A133 PolarHBondContact O-N 3.25Å; K129-A133 VanDerWaalsContact O-N 3.1Å; F130-A133 PolarHBondContact O-N 3.35Å; A133-R136 PolarHBondContact O-N 2.66Å; A133-L137 WeakPolarHBondContact O-CG 3.12Å; A133-L137 PolarHBondContact O-N 3.05Å
134L94.1Very high90.9Very high20 Ų2044.2 Ų44.211%0.10521%0.21CC..Hα-helixtrans-62.5-45.9176.6-166.877.2000112F130 T132 R136 L137 Q138 L231 I234F130-L134 HydrophobicContact CE1-CB 4.36Å; F130-L134 HydrophobicContact CE1-CD1 4.34Å; F130-L134 HydrophobicContact CE1-CD2 4.18Å; F130-L134 HydrophobicContact CZ-CD1 3.97Å; F130-L134 WeakPolarHBondContact O-CB 3.42Å; F130-L134 PolarHBondContact O-N 2.87Å; T132-L134 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 2.68Å; L134-R136 PolarHBondContact O-N 3.23Å; L134-L137 PolarHBondContact O-N 3.3Å; L134-Q138 VanDerWaalsContact O-CG 3.31Å; L134-Q138 WeakPolarHBondContact O-CG 3.2Å; L134-Q138 PolarHBondContact O-N 3.04Å; L134-L231 HydrophobicContact CD1-CD2 3.91Å; L134-I234 HydrophobicContact CD1-CD1 3.45Å; L134-I234 VanDerWaalsContact CD1-CD1 3.45Å; L134-I234 HydrophobicContact CG-CD1 4.08Å
135R93.4Very high91.3Very high141 Ų14145.4 Ų45.453%0.53222%0.216SC..Hα-helixtrans-64.9-36.6176.1-72.9179.4176.5-171-1.1112.6F48 K131 T132 Q138 H139F48-R135 HydrophobicContact CE2-CB 3.82Å; F48-R135 HydrophobicContact CZ-CB 4.02Å; K131-R135 WeakPolarHBondContact O-CG 3.36Å; K131-R135 PolarHBondContact O-N 3.32Å; K131-R135 VanDerWaalsContact O-N 3.07Å; T132-R135 PolarHBondContact O-N 2.72Å; R135-Q138 PolarHBondContact O-N 2.84Å; R135-H139 PolarHBondContact O-N 3.26Å
136R93.5Very high91.5Very high41 Ų4150.4 Ų50.416%0.15524%0.243CC..Hα-helixtrans-63.6-46175178.9-178.3-81.8-90-12.5111.3D46 F48 C49 T132 A133 L134 Q138 H139 R140 E189D46-R136 IonicContact OD1-NH2 3.62Å; D46-R136 PolarHBondContact OD1-NH2 3.06Å; D46-R136 IonicContact OD2-CZ 3.43Å; D46-R136 VanDerWaalsContact OD2-CZ 3.23Å; D46-R136 IonicContact OD2-NH1 3.67Å; D46-R136 PolarHBondContact OD2-NH1 3.38Å; D46-R136 IonicContact OD2-NH2 3.65Å; D46-R136 PolarHBondContact OD2-NH2 2.78Å; F48-R136 HydrophobicContact CD1-CB 4.17Å; F48-R136 HydrophobicContact CD1-CG 4.28Å; F48-R136 HydrophobicContact CE1-CB 3.83Å; F48-R136 HydrophobicContact CE1-CG 4.38Å; F48-R136 HydrophobicContact CE2-CB 4.24Å; F48-R136 HydrophobicContact CZ-CB 3.86Å; C49-R136 PolarHBondContact SG-NH2 2.99Å; T132-R136 WeakPolarHBondContact O-CB 3.29Å; T132-R136 PolarHBondContact O-N 2.87Å; A133-R136 PolarHBondContact O-N 2.66Å; L134-R136 PolarHBondContact O-N 3.23Å; R136-Q138 VanDerWaalsContact C-N 3.32Å; R136-Q138 PolarHBondContact O-N 3.31Å; R136-H139 WeakPolarHBondContact O-CB 3.34Å; R136-H139 PolarHBondContact O-N 3.45Å; R136-H139 VanDerWaalsContact O-N 3.13Å; R136-R140 PolarHBondContact O-N 3.42Å; R136-E189 WeakPolarHBondContact CD-OE1 3.44Å; R136-E189 VanDerWaalsContact CD-OE2 3.28Å; R136-E189 WeakPolarHBondContact CD-OE2 3.21Å; R136-E189 WeakPolarHBondContact CG-OE2 3.33Å; R136-E189 IonicContact NH1-OE1 3.17Å
137L94.9Very high91.6Very high1 Ų150.7 Ų50.71%0.00525%0.245CC..Hα-helixtrans-60.4-39.4173.7-76.7170.4000112.6A133 L134 H139 V141 T186 E189 L190 A193 I234A133-L137 WeakPolarHBondContact O-CG 3.12Å; A133-L137 PolarHBondContact O-N 3.05Å; L134-L137 PolarHBondContact O-N 3.3Å; L137-H139 VanDerWaalsContact C-N 3.32Å; L137-H139 PolarHBondContact O-N 3.24Å; L137-V141 PolarHBondContact O-N 2.9Å; L137-T186 HydrophobicContact CD2-CG2 3.74Å; L137-T186 WeakPolarHBondContact CD2-O 3.4Å; L137-E189 HydrophobicContact CD2-CB 3.6Å; L137-E189 HydrophobicContact CG-CB 4.29Å; L137-L190 HydrophobicContact CD1-CD1 4.14Å; L137-L190 HydrophobicContact CD2-CB 4.25Å; L137-A193 HydrophobicContact CD1-CB 3.78Å; L137-I234 HydrophobicContact CB-CD1 3.98Å; L137-I234 HydrophobicContact CB-CG2 4.19Å
138Q94.6Very high91.6Very high99 Ų9948.6 Ų48.646%0.46323%0.234SC..Hα-helixtrans-66.6-31.1174.6-71.6167.7-22.900113L134 R135 R136 V141 G142 I234L134-Q138 VanDerWaalsContact O-CG 3.31Å; L134-Q138 WeakPolarHBondContact O-CG 3.2Å; L134-Q138 PolarHBondContact O-N 3.04Å; R135-Q138 PolarHBondContact O-N 2.84Å; R136-Q138 VanDerWaalsContact C-N 3.32Å; R136-Q138 PolarHBondContact O-N 3.31Å; Q138-V141 WeakPolarHBondContact O-CA 3.1Å; Q138-G142 PolarHBondContact O-N 3.06Å; Q138-I234 HydrophobicContact CG-CD1 3.84Å; Q138-I234 HydrophobicContact CG-CG1 4.24Å
139H93.1Very high91.5Very high54 Ų5451 Ų5125%0.2524%0.244CC..Hα-helixtrans-70.3-53.6174.6-169.5-80.1000111.3F48 R135 R136 L137 V141 G142 E143F48-H139 HydrophobicContact CB-CB 4.39Å; F48-H139 HydrophobicContact CD2-CB 3.76Å; F48-H139 AromaticContact CD2-CD2 3.96Å; F48-H139 AromaticContact CD2-CG 3.96Å; F48-H139 HydrophobicContact CG-CB 4.43Å; R135-H139 PolarHBondContact O-N 3.26Å; R136-H139 WeakPolarHBondContact O-CB 3.34Å; R136-H139 PolarHBondContact O-N 3.45Å; R136-H139 VanDerWaalsContact O-N 3.13Å; L137-H139 VanDerWaalsContact C-N 3.32Å; L137-H139 PolarHBondContact O-N 3.24Å; H139-V141 PolarHBondContact O-N 3Å; H139-G142 PolarHBondContact O-N 2.75Å; H139-E143 IonicContact CE1-OE1 3.61Å; H139-E143 PolarHBondContact CE1-OE1 3.34Å; H139-E143 VanDerWaalsContact CE1-OE1 3.26Å; H139-E143 IonicContact CE1-OE2 2.77Å; H139-E143 PolarHBondContact CE1-OE2 2.98Å; H139-E143 IonicContact CG-OE2 2.75Å; H139-E143 IonicContact ND1-OE1 2.79Å; H139-E143 PolarHBondContact ND1-OE1 2.97Å; H139-E143 IonicContact ND1-OE2 3.45Å; H139-E143 PolarHBondContact ND1-OE2 2.64Å; H139-E143 PolarHBondContact O-N 2.95Å; H139-E143 VanDerWaalsContact O-N 3.07Å
140R92.4Very high91.3Very high36 Ų3650.2 Ų50.214%0.13625%0.252CS..Hα-helixtrans-55.8-34.1172.6-67.3-171.5-178.7-10524111.7R136 G142 E143 I144 L182 E185 T186 E189R136-R140 PolarHBondContact O-N 3.42Å; R140-G142 PolarHBondContact O-N 3.06Å; R140-E143 WeakPolarHBondContact CA-OE2 3.44Å; R140-E143 PolarHBondContact N-OE2 2.8Å; R140-E143 PolarHBondContact O-N 2.92Å; R140-I144 WeakPolarHBondContact O-CD1 3.47Å; R140-I144 VanDerWaalsContact O-CG1 3.3Å; R140-I144 WeakPolarHBondContact O-CG1 3.36Å; R140-I144 PolarHBondContact O-N 2.67Å; R140-L182 HydrophobicContact CG-CD1 4.34Å; R140-L182 VanDerWaalsContact NH1-CD1 3.3Å; R140-E185 IonicContact CZ-OE2 3.77Å; R140-E185 VanDerWaalsContact CZ-OE2 3.23Å; R140-E185 IonicContact NH1-OE2 2.71Å; R140-E185 PolarHBondContact NH1-OE2 3.44Å; R140-E185 IonicContact NH2-OE2 3.5Å; R140-E185 PolarHBondContact NH2-OE2 2.9Å; R140-T186 HydrophobicContact CB-CG2 3.75Å; R140-T186 WeakPolarHBondContact CB-OG1 3.44Å; R140-T186 VanDerWaalsContact CD-OG1 3.26Å; R140-T186 WeakPolarHBondContact CD-OG1 3.44Å; R140-E189 WeakPolarHBondContact CD-OE2 3.41Å; R140-E189 IonicContact CZ-OE1 2.67Å; R140-E189 VanDerWaalsContact CZ-OE1 3.25Å; R140-E189 IonicContact CZ-OE2 3.63Å; R140-E189 IonicContact NE-OE1 3.62Å; R140-E189 PolarHBondContact NE-OE1 3.02Å; R140-E189 IonicContact NE-OE2 2.72Å; R140-E189 PolarHBondContact NE-OE2 3.34Å; R140-E189 IonicContact NH2-OE1 2.8Å; R140-E189 PolarHBondContact NH2-OE1 2.86Å
141V93.6Very high90.9Very high11 Ų1151.8 Ų51.87%0.06726%0.261CS..Hα-helixtrans-29.6-73.5160.2-150.90000112.7L137 Q138 H139 I144 H145 T186 Q237 L238 E241L137-V141 PolarHBondContact O-N 2.9Å; Q138-V141 WeakPolarHBondContact O-CA 3.1Å; H139-V141 PolarHBondContact O-N 3Å; V141-I144 HydrophobicContact CG2-CD1 3.98Å; V141-H145 PolarHBondContact O-N 2.93Å; V141-T186 HydrophobicContact CG2-CG2 3.91Å; V141-Q237 HydrophobicContact CG1-CB 3.89Å; V141-L238 HydrophobicContact CG2-CD1 4.48Å; V141-L238 HydrophobicContact CG2-CD2 3.52Å; V141-L238 HydrophobicContact CG2-CG 3.81Å; V141-E241 HydrophobicContact CG1-CG 4.42Å
142G92.3Very high90.1Very high34 Ų3451.7 Ų51.735%0.35126%0.262SS..Hα-helixtrans-69.4-32.7-178.700000114.2Q138 H139 R140 H145 L146Q138-G142 PolarHBondContact O-N 3.06Å; H139-G142 PolarHBondContact O-N 2.75Å; R140-G142 PolarHBondContact O-N 3.06Å; G142-H145 PolarHBondContact O-N 2.94Å; G142-L146 WeakPolarHBondContact O-CB 3.3Å; G142-L146 VanDerWaalsContact O-CG 3.26Å; G142-L146 WeakPolarHBondContact O-CG 3.42Å; G142-L146 PolarHBondContact O-N 3.32Å
143E91.6Very high89.4Confident71 Ų7157 Ų5733%0.33229%0.285SS..Hα-helixtrans-63.5-44178.3-69.2172.2121.600111.9H139 R140 L147 L182H139-E143 IonicContact CE1-OE1 3.61Å; H139-E143 PolarHBondContact CE1-OE1 3.34Å; H139-E143 VanDerWaalsContact CE1-OE1 3.26Å; H139-E143 IonicContact CE1-OE2 2.77Å; H139-E143 PolarHBondContact CE1-OE2 2.98Å; H139-E143 IonicContact CG-OE2 2.75Å; H139-E143 IonicContact ND1-OE1 2.79Å; H139-E143 PolarHBondContact ND1-OE1 2.97Å; H139-E143 IonicContact ND1-OE2 3.45Å; H139-E143 PolarHBondContact ND1-OE2 2.64Å; H139-E143 PolarHBondContact O-N 2.95Å; H139-E143 VanDerWaalsContact O-N 3.07Å; R140-E143 WeakPolarHBondContact CA-OE2 3.44Å; R140-E143 PolarHBondContact N-OE2 2.8Å; R140-E143 PolarHBondContact O-N 2.92Å; E143-L147 VanDerWaalsContact O-CB 3.28Å; E143-L147 WeakPolarHBondContact O-CB 3.4Å; E143-L147 PolarHBondContact O-N 2.65Å; E143-L182 HydrophobicContact CB-CD2 4.02Å
144I91.5Very high88Confident1 Ų157.9 Ų57.91%0.00530%0.296CS..Hα-helixtrans-58.2-49.4173.1-70.9161.7000110.3R140 V141 L146 L147 R148 L179 L182 L183 T186 L238 E241R140-I144 WeakPolarHBondContact O-CD1 3.47Å; R140-I144 VanDerWaalsContact O-CG1 3.3Å; R140-I144 WeakPolarHBondContact O-CG1 3.36Å; R140-I144 PolarHBondContact O-N 2.67Å; V141-I144 HydrophobicContact CG2-CD1 3.98Å; I144-L146 PolarHBondContact O-N 3.5Å; I144-L147 PolarHBondContact O-N 3.37Å; I144-R148 PolarHBondContact O-N 3.3Å; I144-L179 HydrophobicContact CG2-CD1 3.97Å; I144-L182 HydrophobicContact CD1-CG 4.23Å; I144-L182 HydrophobicContact CG1-CB 4.44Å; I144-L182 HydrophobicContact CG1-CD2 3.62Å; I144-L182 HydrophobicContact CG1-CG 3.59Å; I144-L183 HydrophobicContact CD1-CD2 3.84Å; I144-L183 HydrophobicContact CD1-CG 4.38Å; I144-L183 HydrophobicContact CG1-CD2 4.3Å; I144-L183 HydrophobicContact CG1-CG 4.49Å; I144-L183 HydrophobicContact CG2-CD2 3.74Å; I144-L183 HydrophobicContact CG2-CG 4.21Å; I144-T186 HydrophobicContact CD1-CG2 4.15Å; I144-T186 WeakPolarHBondContact CD1-OG1 3.4Å; I144-L238 HydrophobicContact CD1-CD2 3.92Å; I144-E241 HydrophobicContact CG2-CB 3.85Å; I144-E241 HydrophobicContact CG2-CG 3.93Å
145H90.9Very high86.5Confident76 Ų7660.4 Ų60.435%0.35232%0.32SS..Hα-helixtrans-61.9-44.5-176.6-169.193.5000112.4V141 G142 R148 E149 E241V141-H145 PolarHBondContact O-N 2.93Å; G142-H145 PolarHBondContact O-N 2.94Å; H145-R148 PolarHBondContact CE1-NH2 3.34Å; H145-R148 VanDerWaalsContact CE1-NH2 3.29Å; H145-R148 PolarHBondContact ND1-NH2 2.97Å; H145-R148 VanDerWaalsContact ND1-NH2 3.11Å; H145-E149 PolarHBondContact O-N 3.07Å; H145-E241 WeakPolarHBondContact CA-OE2 3.45Å; H145-E241 IonicContact CE1-OE1 3.2Å; H145-E241 IonicContact CG-OE1 2.73Å; H145-E241 IonicContact ND1-OE1 2.72Å; H145-E241 PolarHBondContact ND1-OE1 3.02Å; H145-E241 IonicContact ND1-OE2 4Å
146L89.6Confident84.9Confident113 Ų11359.5 Ų59.559%0.59233%0.325SS*.Hα-helixtrans-68-40.7177.5-71.6169.3000112.3G142 I144 E149 A150G142-L146 WeakPolarHBondContact O-CB 3.3Å; G142-L146 VanDerWaalsContact O-CG 3.26Å; G142-L146 WeakPolarHBondContact O-CG 3.42Å; G142-L146 PolarHBondContact O-N 3.32Å; I144-L146 PolarHBondContact O-N 3.5Å; L146-E149 PolarHBondContact O-N 3.01Å; L146-A150 PolarHBondContact O-N 3.35Å
147L88.1Confident83Confident52 Ų5260.6 Ų60.627%0.27234%0.343SS..Hα-helixtrans-64.4-44.2178.318058.8000111.5E143 I144 A150 L151 L179E143-L147 VanDerWaalsContact O-CB 3.28Å; E143-L147 WeakPolarHBondContact O-CB 3.4Å; E143-L147 PolarHBondContact O-N 2.65Å; I144-L147 PolarHBondContact O-N 3.37Å; L147-A150 PolarHBondContact O-N 3.47Å; L147-L151 PolarHBondContact O-N 3Å; L147-L179 HydrophobicContact CB-CD1 4.32Å; L147-L179 HydrophobicContact CD2-CB 3.88Å; L147-L179 HydrophobicContact CD2-CD1 4.02Å; L147-L179 HydrophobicContact CG-CB 4.34Å; L147-L179 HydrophobicContact CG-CD1 4.21Å
148R86.7Confident81Confident34 Ų3463.9 Ų63.913%0.12838%0.377CS..Hα-helixtrans-65.5-40.3173.8-172-151.660.5-139.8-25.3112I144 H145 A150 L151 Q152 L179 E241 A245I144-R148 PolarHBondContact O-N 3.3Å; H145-R148 PolarHBondContact CE1-NH2 3.34Å; H145-R148 VanDerWaalsContact CE1-NH2 3.29Å; H145-R148 PolarHBondContact ND1-NH2 2.97Å; H145-R148 VanDerWaalsContact ND1-NH2 3.11Å; R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.38Å; R148-L151 PolarHBondContact O-N 3.13Å; R148-Q152 PolarHBondContact O-N 3.49Å; R148-L179 HydrophobicContact CB-CD1 4.42Å; R148-L179 HydrophobicContact CB-CD2 4.13Å; R148-L179 HydrophobicContact CG-CD2 4.33Å; R148-E241 IonicContact CZ-OE1 3.95Å; R148-E241 IonicContact CZ-OE2 3.18Å; R148-E241 IonicContact NE-OE2 2.86Å; R148-E241 IonicContact NH1-OE1 2.75Å; R148-E241 PolarHBondContact NH1-OE1 3.46Å; R148-E241 IonicContact NH1-OE2 3.44Å; R148-E241 PolarHBondContact NH1-OE2 3.41Å; R148-E241 IonicContact NH2-OE1 3.72Å; R148-E241 PolarHBondContact NH2-OE1 2.93Å; R148-E241 IonicContact NH2-OE2 3.27Å; R148-E241 PolarHBondContact NH2-OE2 3.23Å; R148-A245 HydrophobicContact CG-CB 4.42Å
149E86.8Confident78.6Confident72 Ų7266.6 Ų66.634%0.33639%0.39SS..Hα-helixtrans-60-37.5173.1-84.4-150.6159.700112.7H145 L146 K153H145-E149 PolarHBondContact O-N 3.07Å; L146-E149 PolarHBondContact O-N 3.01Å; E149-K153 WeakPolarHBondContact O-CB 3.31Å; E149-K153 VanDerWaalsContact O-CD 3.31Å; E149-K153 WeakPolarHBondContact O-CD 3.41Å; E149-K153 WeakPolarHBondContact O-CG 3.42Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-K153 VanDerWaalsContact O-N 3.08Å; E149-K153 IonicContact OE2-NZ 3.98Å; E149-K153 PolarHBondContact OE2-NZ 2.96Å
150A85.1Confident76.3Confident61 Ų6170 Ų7050%0.50442%0.415SS..Hα-helixtrans-67.7-40.2176.500000112.1L146 L147 R148 G154L146-A150 PolarHBondContact O-N 3.35Å; L147-A150 PolarHBondContact O-N 3.47Å; R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.38Å; A150-G154 PolarHBondContact O-N 3.49Å
151L81.1Confident73.9Confident38 Ų3871.3 Ų71.320%0.19943%0.429CS..Hα-helixtrans-61.1-52174.5-78.6164.3000111.9L147 R148 K153 G154 A155 P175 L179 E248L147-L151 PolarHBondContact O-N 3Å; R148-L151 PolarHBondContact O-N 3.13Å; L151-K153 PolarHBondContact O-N 3.21Å; L151-G154 PolarHBondContact O-N 2.78Å; L151-A155 PolarHBondContact O-N 3.43Å; L151-P175 HydrophobicContact CD2-CB 3.89Å; L151-P175 HydrophobicContact CD2-CG 3.93Å; L151-L179 HydrophobicContact CD1-CB 4.31Å; L151-L179 HydrophobicContact CD1-CD2 3.98Å; L151-E248 WeakPolarHBondContact CD1-OE2 3.41Å
152Q76.7Confident71.4Confident94 Ų9477.5 Ų77.544%0.43946%0.461SS..Hα-helixtrans-59-46.6178.4-177.162.95600112R148 G154 A155 D156R148-Q152 PolarHBondContact O-N 3.49Å; Q152-G154 VanDerWaalsContact C-N 3.29Å; Q152-G154 PolarHBondContact O-N 2.77Å; Q152-A155 PolarHBondContact O-N 3.25Å; Q152-A155 VanDerWaalsContact O-N 3.15Å; Q152-D156 VanDerWaalsContact NE2-CG 3.27Å; Q152-D156 PolarHBondContact NE2-OD1 3.17Å; Q152-D156 PolarHBondContact NE2-OD2 3.09Å; Q152-D156 PolarHBondContact O-N 3.49Å
153K75.6Confident68.9Low122 Ų12282.7 Ų82.753%0.5348%0.476SS..Hα-helixtrans-64.6-32.8177.9-69.4165.3-165.4168.70112.4E149 L151 A157E149-K153 WeakPolarHBondContact O-CB 3.31Å; E149-K153 VanDerWaalsContact O-CD 3.31Å; E149-K153 WeakPolarHBondContact O-CD 3.41Å; E149-K153 WeakPolarHBondContact O-CG 3.42Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-K153 VanDerWaalsContact O-N 3.08Å; E149-K153 IonicContact OE2-NZ 3.98Å; E149-K153 PolarHBondContact OE2-NZ 2.96Å; L151-K153 PolarHBondContact O-N 3.21Å; K153-A157 VanDerWaalsContact O-CB 3.26Å; K153-A157 WeakPolarHBondContact O-CB 3.38Å; K153-A157 PolarHBondContact O-N 3Å
154G63.5Low66.4Low45 Ų4583 Ų8346%0.46449%0.486SS..Hα-helixtrans-66.9-37.5172.800000113.2A150 L151 Q152A150-G154 PolarHBondContact O-N 3.49Å; L151-G154 PolarHBondContact O-N 2.78Å; Q152-G154 VanDerWaalsContact C-N 3.29Å; Q152-G154 PolarHBondContact O-N 2.77Å
155A60.6Low64Low73 Ų7388.4 Ų88.460%0.60351%0.514SS*.Hα-helixtrans-69.3-48.8176.100000112.2L151 Q152 A157 G158L151-A155 PolarHBondContact O-N 3.43Å; Q152-A155 PolarHBondContact O-N 3.25Å; Q152-A155 VanDerWaalsContact O-N 3.15Å; A155-A157 VanDerWaalsContact C-N 3.32Å; A155-A157 PolarHBondContact O-N 3.38Å; A155-G158 PolarHBondContact O-N 2.78Å
156D60.2Low61.7Low121 Ų12190.8 Ų90.865%0.64753%0.528SS*.Hα-helixtrans-69-27.4-176.4-68.7-36.7000113.4Q152 G158Q152-D156 VanDerWaalsContact NE2-CG 3.27Å; Q152-D156 PolarHBondContact NE2-OD1 3.17Å; Q152-D156 PolarHBondContact NE2-OD2 3.09Å; Q152-D156 PolarHBondContact O-N 3.49Å; D156-G158 VanDerWaalsContact C-N 3.33Å; D156-G158 PolarHBondContact O-N 2.92Å
157A55Low59.2Low64 Ų6493.7 Ų93.753%0.52954%0.539SS..THydrogen-bonded Turntrans-74.5-19-179.300000114.1K153 A155 Q159K153-A157 VanDerWaalsContact O-CB 3.26Å; K153-A157 WeakPolarHBondContact O-CB 3.38Å; K153-A157 PolarHBondContact O-N 3Å; A155-A157 VanDerWaalsContact C-N 3.32Å; A155-A157 PolarHBondContact O-N 3.38Å; A157-Q159 PolarHBondContact O-N 2.8Å
158G51.9Low56.8Low70 Ų7096 Ų9672%0.72256%0.555SS**  trans62.32.2-177.300000115.8A155 D156A155-G158 PolarHBondContact O-N 2.78Å; D156-G158 VanDerWaalsContact C-N 3.33Å; D156-G158 PolarHBondContact O-N 2.92Å
159Q45.2Very low54.3Low156 Ų15699.6 Ų99.673%0.72958%0.583SS**  trans-99.8104.6-176.6-72.7-169.9-4.800111.7A157 S161A157-Q159 PolarHBondContact O-N 2.8Å; Q159-S161 PolarHBondContact O-N 3.49Å
160V43Very low52Low127 Ų127101.6 Ų101.677%0.7761%0.612SS**  trans-70.483.1154.8-175.20000107.5L162V160-L162 PolarHBondContact O-N 3.29Å
161S42.9Very low49.8Very low62 Ų62106.1 Ų106.143%0.43463%0.628SS.*  trans-64.9121.6176-178.80000109.6Q159 H163 S164Q159-S161 PolarHBondContact O-N 3.49Å; S161-H163 PolarHBondContact O-N 3.11Å; S161-S164 PolarHBondContact O-N 3.37Å; S161-S164 PolarHBondContact O-OG 3.05Å; S161-S164 VanDerWaalsContact O-OG 3.05Å
162L41.1Very low48.2Very low141 Ų141108 Ų10874%0.73866%0.656SS**G310 helixtrans-55-17.8-178.2-99.3156.9000114.3V160 L165V160-L162 PolarHBondContact O-N 3.29Å; L162-L165 HydrophobicContact CD2-CD1 4.35Å
163H39.9Very low47.2Very low143 Ų143107.8 Ų107.866%0.66266%0.661SS**G310 helixtrans-69.8-27.9175.2-107.6-81000114.4S161 L165 I166S161-H163 PolarHBondContact O-N 3.11Å; H163-L165 PolarHBondContact O-N 3.5Å; H163-I166 PolarHBondContact O-N 3.46Å
164S39.3Very low46.8Very low78 Ų78103.4 Ų103.455%0.54565%0.651SS.*G310 helixtrans-74.1-10.6-178.263.90000114S161 I166S161-S164 PolarHBondContact O-N 3.37Å; S161-S164 PolarHBondContact O-OG 3.05Å; S161-S164 VanDerWaalsContact O-OG 3.05Å; S164-I166 VanDerWaalsContact C-N 3.35Å
165L40.2Very low47.2Very low115 Ų115105.2 Ų105.260%0.60265%0.654SS**G310 helixtrans-86.9-1.5176.5-71.1166.5000113.7L162 H163L162-L165 HydrophobicContact CD2-CD1 4.35Å; H163-L165 PolarHBondContact O-N 3.5Å
166I42.4Very low47.9Very low126 Ų126104 Ų10465%0.64664%0.641SS**THydrogen-bonded Turntrans-107.4-22.2-171.6-59.1178.8000112.3H163 S164H163-I166 PolarHBondContact O-N 3.46Å; S164-I166 VanDerWaalsContact C-N 3.35Å
167E37.4Very low48.9Very low173 Ų173103.4 Ų103.481%0.80864%0.635SS**SBendtrans-113.918.3-176.8-64.2-168.4153.500114.4P169E167-P169 WeakPolarHBondContact O-CD 3.47Å
168T37.7Very low50.4Low102 Ų102102.1 Ų102.163%0.62662%0.624SS**  trans-80.9118.916745.90000110.9
169P34.2Very low52.1Low109 Ų10998.9 Ų98.971%0.70859%0.59SS**  trans-59.9147.5170.6-21.234000110.9E167 N171E167-P169 WeakPolarHBondContact O-CD 3.47Å; P169-N171 PolarHBondContact O-N 2.88Å
170A38.7Very low54.1Low114 Ų11492 Ų9294%0.94256%0.561SS**SBendtrans-73.929.1-168.900000115.7
171N39.8Very low56.3Low156 Ų15690.4 Ų90.483%0.83455%0.546SS*.SBendtrans-133.790.8173.7-140.917.9000107.4P169 T173P169-N171 PolarHBondContact O-N 2.88Å; N171-T173 PolarHBondContact O-N 3.23Å
172G46Very low58.6Low78 Ų7888.8 Ų88.880%0.80453%0.532SS*.  trans-79.4121.3-161.500000114.4
173T55.5Low61Low89 Ų8982.1 Ų82.155%0.54650%0.497SS..  trans-120.5130.9162.2-54.10000106.9N171 E177N171-T173 PolarHBondContact O-N 3.23Å; T173-E177 WeakPolarHBondContact CA-OE2 3.49Å; T173-E177 HydrophobicContact CG2-CB 3.94Å; T173-E177 HydrophobicContact CG2-CG 3.66Å; T173-E177 WeakPolarHBondContact CG2-OE2 3.42Å
174G68.3Low63.5Low30 Ų3078.9 Ų78.931%0.30948%0.482SS..  trans-66.1150.9-178.200000111.8S176 E177 A178G174-S176 VanDerWaalsContact C-N 3.28Å; G174-S176 PolarHBondContact O-N 2.88Å; G174-E177 PolarHBondContact N-OE2 2.65Å; G174-E177 CarbonylContact O-C 3.59Å; G174-E177 WeakPolarHBondContact O-CA 3.39Å; G174-E177 VanDerWaalsContact O-CB 3.32Å; G174-E177 WeakPolarHBondContact O-CB 3.46Å; G174-E177 PolarHBondContact O-N 3.41Å; G174-A178 PolarHBondContact O-N 3.17Å
175P72.6Confident66Low83 Ų8379.5 Ų79.554%0.53948%0.476SS..Hα-helixtrans-65.8-27.5-177.526.1-34.4000113.4L151 L179L151-P175 HydrophobicContact CD2-CB 3.89Å; L151-P175 HydrophobicContact CD2-CG 3.93Å; P175-L179 PolarHBondContact O-N 3.39Å; P175-L179 VanDerWaalsContact O-N 3.13Å
176S74.7Confident68.5Low46 Ų4674 Ų7432%0.32245%0.448SS..Hα-helixtrans-77.8-26.1170.3102.60000113.2G174 L179 A180 E248G174-S176 VanDerWaalsContact C-N 3.28Å; G174-S176 PolarHBondContact O-N 2.88Å; S176-L179 PolarHBondContact O-N 3.41Å; S176-A180 WeakPolarHBondContact O-CB 3.26Å; S176-A180 PolarHBondContact O-N 3.43Å; S176-E248 WeakPolarHBondContact CB-O 3.43Å; S176-E248 PolarHBondContact OG-O 2.81Å
177E81.6Confident71Confident109 Ų10968 Ų6851%0.50942%0.417SS..Hα-helixtrans-72.6-38.1172.5-174.8-179-150.700110.7T173 G174 A180 M181T173-E177 WeakPolarHBondContact CA-OE2 3.49Å; T173-E177 HydrophobicContact CG2-CB 3.94Å; T173-E177 HydrophobicContact CG2-CG 3.66Å; T173-E177 WeakPolarHBondContact CG2-OE2 3.42Å; G174-E177 PolarHBondContact N-OE2 2.65Å; G174-E177 CarbonylContact O-C 3.59Å; G174-E177 WeakPolarHBondContact O-CA 3.39Å; G174-E177 VanDerWaalsContact O-CB 3.32Å; G174-E177 WeakPolarHBondContact O-CB 3.46Å; G174-E177 PolarHBondContact O-N 3.41Å; E177-A180 WeakPolarHBondContact O-CB 3.41Å; E177-A180 PolarHBondContact O-N 3.42Å; E177-M181 WeakPolarHBondContact O-CG 3.19Å; E177-M181 PolarHBondContact O-N 3.38Å
178A85.3Confident73.8Confident38 Ų3860.7 Ų60.731%0.31439%0.388SS..Hα-helixtrans-62.3-41.8169.600000112G174 M181 L182G174-A178 PolarHBondContact O-N 3.17Å; A178-M181 PolarHBondContact O-N 3.36Å; A178-L182 WeakPolarHBondContact O-CB 3.46Å; A178-L182 PolarHBondContact O-N 2.95Å
179L87.7Confident76.4Confident1 Ų157.7 Ų57.71%0.00537%0.367CS..Hα-helixtrans-61.9-43.4172.2-177.867.1000111.6I144 L147 R148 L151 P175 S176 L182 L183 A245 E248I144-L179 HydrophobicContact CG2-CD1 3.97Å; L147-L179 HydrophobicContact CB-CD1 4.32Å; L147-L179 HydrophobicContact CD2-CB 3.88Å; L147-L179 HydrophobicContact CD2-CD1 4.02Å; L147-L179 HydrophobicContact CG-CB 4.34Å; L147-L179 HydrophobicContact CG-CD1 4.21Å; R148-L179 HydrophobicContact CB-CD1 4.42Å; R148-L179 HydrophobicContact CB-CD2 4.13Å; R148-L179 HydrophobicContact CG-CD2 4.33Å; L151-L179 HydrophobicContact CD1-CB 4.31Å; L151-L179 HydrophobicContact CD1-CD2 3.98Å; P175-L179 PolarHBondContact O-N 3.39Å; P175-L179 VanDerWaalsContact O-N 3.13Å; S176-L179 PolarHBondContact O-N 3.41Å; L179-L182 PolarHBondContact O-N 3.49Å; L179-L183 HydrophobicContact CD1-CD1 4.43Å; L179-L183 HydrophobicContact CG-CD1 4.11Å; L179-L183 WeakPolarHBondContact O-CB 3.37Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.95Å; L179-A245 HydrophobicContact CD2-CB 3.99Å; L179-E248 WeakPolarHBondContact CD2-OE2 3.46Å
180A87.4Confident79.4Confident13 Ų1352.5 Ų52.511%0.10733%0.333CS..Hα-helixtrans-62.4-42.217700000112.4S176 E177 Q184 L249 T253S176-A180 WeakPolarHBondContact O-CB 3.26Å; S176-A180 PolarHBondContact O-N 3.43Å; E177-A180 WeakPolarHBondContact O-CB 3.41Å; E177-A180 PolarHBondContact O-N 3.42Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.44Å; A180-Q184 PolarHBondContact O-N 3.34Å; A180-L249 HydrophobicContact CB-CD2 3.69Å; A180-T253 HydrophobicContact CB-CG2 4.35Å
181M89.1Confident82.1Confident93 Ų9349.9 Ų49.946%0.45830%0.301SS..Hα-helixtrans-63-49.7174.5-78.2-59.7-68.300111.7E177 A178 L183 Q184 E185E177-M181 WeakPolarHBondContact O-CG 3.19Å; E177-M181 PolarHBondContact O-N 3.38Å; A178-M181 PolarHBondContact O-N 3.36Å; M181-L183 VanDerWaalsContact C-N 3.31Å; M181-L183 PolarHBondContact O-N 3.3Å; M181-Q184 PolarHBondContact O-N 2.94Å; M181-E185 PolarHBondContact O-N 3.34Å
182L90.9Very high84.6Confident28 Ų2846.7 Ų46.715%0.14729%0.287CS..Hα-helixtrans-61.1-38.9-180-177.758.2000112R140 E143 I144 A178 L179 T186R140-L182 HydrophobicContact CG-CD1 4.34Å; R140-L182 VanDerWaalsContact NH1-CD1 3.3Å; E143-L182 HydrophobicContact CB-CD2 4.02Å; I144-L182 HydrophobicContact CD1-CG 4.23Å; I144-L182 HydrophobicContact CG1-CB 4.44Å; I144-L182 HydrophobicContact CG1-CD2 3.62Å; I144-L182 HydrophobicContact CG1-CG 3.59Å; A178-L182 WeakPolarHBondContact O-CB 3.46Å; A178-L182 PolarHBondContact O-N 2.95Å; L179-L182 PolarHBondContact O-N 3.49Å; L182-T186 WeakPolarHBondContact O-CB 3.49Å; L182-T186 PolarHBondContact O-N 3.1Å; L182-T186 PolarHBondContact O-OG1 3.35Å
183L91.6Very high86.9Confident1 Ų143 Ų431%0.00525%0.25CC..Hα-helixtrans-63.4-42.1172-77.6167000112.7I144 L179 M181 T187 L238 E241 V242 L249 L257I144-L183 HydrophobicContact CD1-CD2 3.84Å; I144-L183 HydrophobicContact CD1-CG 4.38Å; I144-L183 HydrophobicContact CG1-CD2 4.3Å; I144-L183 HydrophobicContact CG1-CG 4.49Å; I144-L183 HydrophobicContact CG2-CD2 3.74Å; I144-L183 HydrophobicContact CG2-CG 4.21Å; L179-L183 HydrophobicContact CD1-CD1 4.43Å; L179-L183 HydrophobicContact CG-CD1 4.11Å; L179-L183 WeakPolarHBondContact O-CB 3.37Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.95Å; M181-L183 VanDerWaalsContact C-N 3.31Å; M181-L183 PolarHBondContact O-N 3.3Å; L183-T187 WeakPolarHBondContact O-CB 3.4Å; L183-T187 PolarHBondContact O-N 2.92Å; L183-T187 PolarHBondContact O-OG1 3.27Å; L183-L238 HydrophobicContact CD2-CD2 4.29Å; L183-E241 HydrophobicContact CD2-CB 4.48Å; L183-V242 HydrophobicContact CD1-CG2 4.31Å; L183-V242 HydrophobicContact CD2-CG2 3.77Å; L183-L249 HydrophobicContact CD1-CD1 3.81Å; L183-L249 HydrophobicContact CD1-CD2 4.06Å; L183-L257 HydrophobicContact CB-CD1 3.93Å; L183-L257 HydrophobicContact CB-CD2 4.39Å; L183-L257 HydrophobicContact CD1-CD1 4.38Å
184Q92.2Very high88.8Confident75 Ų7540.1 Ų40.135%0.3523%0.23SC..Hα-helixtrans-65.9-41.8178.1-75.6178.44700112.9A180 M181 G188 L257 R260A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.44Å; A180-Q184 PolarHBondContact O-N 3.34Å; M181-Q184 PolarHBondContact O-N 2.94Å; Q184-G188 PolarHBondContact O-N 3.02Å; Q184-L257 HydrophobicContact CG-CD2 3.94Å; Q184-R260 PolarHBondContact O-NH1 2.85Å
185E92.3Very high89.9Confident90 Ų9041.3 Ų41.342%0.42124%0.236SC..Hα-helixtrans-63.7-50.2174.6-75.2-176.4-153.200111.7R140 M181 T187 G188 E189R140-E185 IonicContact CZ-OE2 3.77Å; R140-E185 VanDerWaalsContact CZ-OE2 3.23Å; R140-E185 IonicContact NH1-OE2 2.71Å; R140-E185 PolarHBondContact NH1-OE2 3.44Å; R140-E185 IonicContact NH2-OE2 3.5Å; R140-E185 PolarHBondContact NH2-OE2 2.9Å; M181-E185 PolarHBondContact O-N 3.34Å; E185-T187 PolarHBondContact O-N 3.17Å; E185-G188 CarbonylContact O-C 3.43Å; E185-G188 WeakPolarHBondContact O-CA 3.44Å; E185-G188 PolarHBondContact O-N 3.25Å; E185-E189 PolarHBondContact O-N 2.71Å
186T94.2Very high90.8Very high0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-62-34.1-179.3-47.70000111.5L137 R140 V141 I144 L182 E189 L190 L238L137-T186 HydrophobicContact CD2-CG2 3.74Å; L137-T186 WeakPolarHBondContact CD2-O 3.4Å; R140-T186 HydrophobicContact CB-CG2 3.75Å; R140-T186 WeakPolarHBondContact CB-OG1 3.44Å; R140-T186 VanDerWaalsContact CD-OG1 3.26Å; R140-T186 WeakPolarHBondContact CD-OG1 3.44Å; V141-T186 HydrophobicContact CG2-CG2 3.91Å; I144-T186 HydrophobicContact CD1-CG2 4.15Å; I144-T186 WeakPolarHBondContact CD1-OG1 3.4Å; L182-T186 WeakPolarHBondContact O-CB 3.49Å; L182-T186 PolarHBondContact O-N 3.1Å; L182-T186 PolarHBondContact O-OG1 3.35Å; T186-E189 PolarHBondContact O-N 2.93Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 PolarHBondContact O-N 3.46Å; T186-L238 HydrophobicContact CG2-CD1 4.18Å; T186-L238 HydrophobicContact CG2-CD2 3.88Å
187T94.6Very high91.6Very high0 Ų036.8 Ų36.80%020%0.204CC..Hα-helixtrans-65.4-37.3172-54.20000111.9L183 E185 L190 E191 R260 L261L183-T187 WeakPolarHBondContact O-CB 3.4Å; L183-T187 PolarHBondContact O-N 2.92Å; L183-T187 PolarHBondContact O-OG1 3.27Å; E185-T187 PolarHBondContact O-N 3.17Å; T187-L190 PolarHBondContact O-N 2.89Å; T187-E191 WeakPolarHBondContact O-CG 3.41Å; T187-E191 PolarHBondContact O-N 3.23Å; T187-R260 HydrophobicContact CG2-CB 3.83Å; T187-L261 HydrophobicContact CG2-CD2 4.05Å; T187-L261 HydrophobicContact CG2-CG 4.2Å
188G94.9Very high92.1Very high19 Ų1933.3 Ų33.320%0.19619%0.189CC..Hα-helixtrans-70.2-36.8174.900000113.7Q184 E185 L190 E191 T192Q184-G188 PolarHBondContact O-N 3.02Å; E185-G188 CarbonylContact O-C 3.43Å; E185-G188 WeakPolarHBondContact O-CA 3.44Å; E185-G188 PolarHBondContact O-N 3.25Å; G188-L190 VanDerWaalsContact C-N 3.32Å; G188-E191 PolarHBondContact O-N 3.03Å; G188-T192 WeakPolarHBondContact O-CB 3.47Å; G188-T192 PolarHBondContact O-N 3.42Å; G188-T192 PolarHBondContact O-OG1 3.3Å
189E93.8Very high92.3Very high39 Ų3936.6 Ų36.618%0.18220%0.196CC..Hα-helixtrans-65.9-35.5170.9-72-173.9-177.400111.5R136 L137 R140 E185 T186 T192 A193R136-E189 WeakPolarHBondContact CD-OE1 3.44Å; R136-E189 VanDerWaalsContact CD-OE2 3.28Å; R136-E189 WeakPolarHBondContact CD-OE2 3.21Å; R136-E189 WeakPolarHBondContact CG-OE2 3.33Å; R136-E189 IonicContact NH1-OE1 3.17Å; L137-E189 HydrophobicContact CD2-CB 3.6Å; L137-E189 HydrophobicContact CG-CB 4.29Å; R140-E189 WeakPolarHBondContact CD-OE2 3.41Å; R140-E189 IonicContact CZ-OE1 2.67Å; R140-E189 VanDerWaalsContact CZ-OE1 3.25Å; R140-E189 IonicContact CZ-OE2 3.63Å; R140-E189 IonicContact NE-OE1 3.62Å; R140-E189 PolarHBondContact NE-OE1 3.02Å; R140-E189 IonicContact NE-OE2 2.72Å; R140-E189 PolarHBondContact NE-OE2 3.34Å; R140-E189 IonicContact NH2-OE1 2.8Å; R140-E189 PolarHBondContact NH2-OE1 2.86Å; E185-E189 PolarHBondContact O-N 2.71Å; T186-E189 PolarHBondContact O-N 2.93Å; E189-T192 WeakPolarHBondContact O-CB 3.44Å; E189-T192 PolarHBondContact O-N 3.04Å; E189-A193 WeakPolarHBondContact O-CB 3.4Å; E189-A193 PolarHBondContact O-N 3.09Å
190L95.8Very high92.4Very high1 Ų138.1 Ų38.11%0.00520%0.201CC..Hα-helixtrans-67.8-42.3174.6-176.470.8000111.8L137 T186 T187 G188 T192 A193 K194 L231 I234 L238 L261 V264L137-L190 HydrophobicContact CD1-CD1 4.14Å; L137-L190 HydrophobicContact CD2-CB 4.25Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 PolarHBondContact O-N 3.46Å; T187-L190 PolarHBondContact O-N 2.89Å; G188-L190 VanDerWaalsContact C-N 3.32Å; L190-T192 VanDerWaalsContact C-N 3.26Å; L190-T192 PolarHBondContact O-N 2.62Å; L190-A193 PolarHBondContact O-N 3.35Å; L190-K194 WeakPolarHBondContact O-CB 3.15Å; L190-K194 PolarHBondContact O-N 3.19Å; L190-L231 HydrophobicContact CD1-CD2 4.15Å; L190-I234 HydrophobicContact CD1-CG2 4.23Å; L190-L238 HydrophobicContact CD2-CD1 3.89Å; L190-L261 HydrophobicContact CD2-CD2 3.79Å; L190-V264 HydrophobicContact CD2-CG1 3.86Å; L190-V264 HydrophobicContact CG-CG1 4.08Å
191E96Very high92.7Very high59 Ų5937.6 Ų37.628%0.27620%0.197SC..Hα-helixtrans-58.9-38.3171.9-74.7163.3176.100111.7T187 G188 K194 A195 R260 V264T187-E191 WeakPolarHBondContact O-CG 3.41Å; T187-E191 PolarHBondContact O-N 3.23Å; G188-E191 PolarHBondContact O-N 3.03Å; E191-K194 WeakPolarHBondContact O-CB 3.4Å; E191-A195 PolarHBondContact O-N 3.04Å; E191-A195 VanDerWaalsContact O-N 3.08Å; E191-R260 IonicContact OE1-CZ 3.66Å; E191-R260 IonicContact OE1-NE 3.17Å; E191-R260 PolarHBondContact OE1-NE 3.12Å; E191-R260 IonicContact OE1-NH2 3.9Å; E191-R260 PolarHBondContact OE1-NH2 3.2Å; E191-R260 IonicContact OE2-CZ 3.76Å; E191-R260 IonicContact OE2-NE 2.76Å; E191-R260 IonicContact OE2-NH2 3.43Å; E191-R260 PolarHBondContact OE2-NH2 2.68Å; E191-V264 HydrophobicContact CB-CG2 4.48Å; E191-V264 HydrophobicContact CG-CG2 3.47Å; E191-V264 VanDerWaalsContact CG-CG2 3.47Å
192T93Very high92.7Very high88 Ų8836 Ų3654%0.5419%0.188SC..Hα-helixtrans-68.8-44.4175.6-57.70000111.8G188 E189 L190 A195 L196G188-T192 WeakPolarHBondContact O-CB 3.47Å; G188-T192 PolarHBondContact O-N 3.42Å; G188-T192 PolarHBondContact O-OG1 3.3Å; E189-T192 WeakPolarHBondContact O-CB 3.44Å; E189-T192 PolarHBondContact O-N 3.04Å; L190-T192 VanDerWaalsContact C-N 3.26Å; L190-T192 PolarHBondContact O-N 2.62Å; T192-A195 WeakPolarHBondContact O-CB 3.45Å; T192-A195 PolarHBondContact O-N 3.2Å; T192-L196 PolarHBondContact O-N 2.94Å; T192-L196 VanDerWaalsContact O-N 3.16Å
193A93.5Very high92.5Very high1 Ų135.7 Ų35.71%0.00819%0.186CC..Hα-helixtrans-66.1-37.1176.900000112.2L137 E189 L190 L196 V197 L231L137-A193 HydrophobicContact CD1-CB 3.78Å; E189-A193 WeakPolarHBondContact O-CB 3.4Å; E189-A193 PolarHBondContact O-N 3.09Å; L190-A193 PolarHBondContact O-N 3.35Å; A193-L196 PolarHBondContact O-N 3.38Å; A193-V197 PolarHBondContact O-N 3.21Å; A193-L231 HydrophobicContact CB-CD2 3.81Å
194K95Very high92.5Very high29 Ų2935.9 Ų35.913%0.12619%0.187CC..Hα-helixtrans-54.6-51.5168.2179.5-171.879.6173.90110.4L190 E191 L196 V197 L198 V264 T267L190-K194 WeakPolarHBondContact O-CB 3.15Å; L190-K194 PolarHBondContact O-N 3.19Å; E191-K194 WeakPolarHBondContact O-CB 3.4Å; K194-L196 VanDerWaalsContact C-N 3.28Å; K194-L196 PolarHBondContact O-N 3.11Å; K194-V197 PolarHBondContact O-N 2.9Å; K194-V197 VanDerWaalsContact O-N 3.13Å; K194-L198 HydrophobicContact CD-CD1 4.35Å; K194-L198 HydrophobicContact CG-CD1 3.91Å; K194-L198 HydrophobicContact CG-CG 4.23Å; K194-L198 WeakPolarHBondContact O-CG 3.42Å; K194-L198 PolarHBondContact O-N 3.21Å; K194-V264 HydrophobicContact CD-CB 4.28Å; K194-V264 HydrophobicContact CD-CG1 4.13Å; K194-V264 HydrophobicContact CD-CG2 4.19Å; K194-T267 HydrophobicContact CD-CG2 4.19Å; K194-T267 PolarHBondContact NZ-OG1 2.89Å
195A92.1Very high92.5Very high55 Ų5536 Ų3646%0.45519%0.187SC..Hα-helixtrans-59.3-36.6-178.900000113E191 T192 K199E191-A195 PolarHBondContact O-N 3.04Å; E191-A195 VanDerWaalsContact O-N 3.08Å; T192-A195 WeakPolarHBondContact O-CB 3.45Å; T192-A195 PolarHBondContact O-N 3.2Å; A195-K199 WeakPolarHBondContact O-CB 3.4Å; A195-K199 PolarHBondContact O-N 2.82Å
196L90.3Very high92.4Very high34 Ų3432.1 Ų32.118%0.17817%0.168CC..Hα-helixtrans-63.5-46.4173.6-65.2175.3000112.2K129 F130 T192 A193 K194 K199 R200K129-L196 HydrophobicContact CD-CD2 4.34Å; K129-L196 HydrophobicContact CG-CD1 4.19Å; F130-L196 HydrophobicContact CD2-CB 4.48Å; T192-L196 PolarHBondContact O-N 2.94Å; T192-L196 VanDerWaalsContact O-N 3.16Å; A193-L196 PolarHBondContact O-N 3.38Å; K194-L196 VanDerWaalsContact C-N 3.28Å; K194-L196 PolarHBondContact O-N 3.11Å; L196-K199 WeakPolarHBondContact O-CB 3.41Å; L196-K199 PolarHBondContact O-N 3.4Å; L196-R200 PolarHBondContact O-N 3.13Å
197V93.2Very high92.2Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-65.3-42.8178.6169.90000111.9F130 A193 K194 K199 R200 I201 R227 C228 L231 L268F130-V197 HydrophobicContact CD2-CG2 3.79Å; F130-V197 HydrophobicContact CE2-CG2 3.27Å; F130-V197 HydrophobicContact CZ-CG2 3.85Å; A193-V197 PolarHBondContact O-N 3.21Å; K194-V197 PolarHBondContact O-N 2.9Å; K194-V197 VanDerWaalsContact O-N 3.13Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.2Å; V197-R200 PolarHBondContact O-N 3.13Å; V197-I201 HydrophobicContact CG1-CD1 4.12Å; V197-I201 WeakPolarHBondContact O-CG1 3.36Å; V197-I201 PolarHBondContact O-N 3.39Å; V197-R227 HydrophobicContact CG2-CB 4.13Å; V197-C228 WeakPolarHBondContact CG1-SG 3.23Å; V197-L231 HydrophobicContact CB-CD1 4.12Å; V197-L231 HydrophobicContact CG2-CD1 3.65Å; V197-L268 HydrophobicContact CG1-CD1 4.31Å
198L91.9Very high92.2Very high36 Ų3634 Ų3419%0.18818%0.177CC..Hα-helixtrans-59.4-40.8174.1-64.5178.9000111.3K194 I201 Q202 T267 S271K194-L198 HydrophobicContact CD-CD1 4.35Å; K194-L198 HydrophobicContact CG-CD1 3.91Å; K194-L198 HydrophobicContact CG-CG 4.23Å; K194-L198 WeakPolarHBondContact O-CG 3.42Å; K194-L198 PolarHBondContact O-N 3.21Å; L198-I201 HydrophobicContact CD2-CD1 4.43Å; L198-I201 WeakPolarHBondContact O-CB 3.43Å; L198-I201 PolarHBondContact O-N 3.28Å; L198-Q202 WeakPolarHBondContact O-CG 3.48Å; L198-Q202 PolarHBondContact O-N 2.96Å; L198-T267 HydrophobicContact CD1-CG2 3.71Å; L198-S271 VanDerWaalsContact CD2-OG 3.27Å; L198-S271 WeakPolarHBondContact CD2-OG 3.39Å
199K89.1Confident92.1Very high107 Ų10733.7 Ų33.747%0.46517%0.17SC..Hα-helixtrans-64.4-41.4175.1-169.3165.2-174.31650112.4A195 L196 V197 I201 Q202 I203A195-K199 WeakPolarHBondContact O-CB 3.4Å; A195-K199 PolarHBondContact O-N 2.82Å; L196-K199 WeakPolarHBondContact O-CB 3.41Å; L196-K199 PolarHBondContact O-N 3.4Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.2Å; K199-I201 VanDerWaalsContact C-N 3.32Å; K199-I201 PolarHBondContact O-N 3Å; K199-Q202 PolarHBondContact O-N 2.75Å; K199-I203 HydrophobicContact CG-CD1 4.37Å; K199-I203 WeakPolarHBondContact O-CG1 3.27Å; K199-I203 PolarHBondContact O-N 2.85Å
200R90.4Very high92Very high32 Ų3232.5 Ų32.512%0.12117%0.165CC..Hα-helixtrans-65.6-33.2174.2-174.662.5179.4106.1-3.2112.3L196 V197 I203 W204 E218 L224L196-R200 PolarHBondContact O-N 3.13Å; V197-R200 PolarHBondContact O-N 3.13Å; R200-I203 PolarHBondContact O-N 3.22Å; R200-W204 WeakPolarHBondContact O-CB 3.17Å; R200-W204 PolarHBondContact O-N 3.21Å; R200-E218 IonicContact NH2-OE2 2.68Å; R200-E218 PolarHBondContact NH2-OE2 2.94Å; R200-L224 HydrophobicContact CB-CD1 4.06Å; R200-L224 HydrophobicContact CG-CD1 3.63Å
201I92.1Very high91.9Very high2 Ų233.9 Ų33.91%0.0118%0.176CC..Hα-helixtrans-61.7-47170.5-74.7164000111.4V197 L198 K199 W204 K205 L224 L274V197-I201 HydrophobicContact CG1-CD1 4.12Å; V197-I201 WeakPolarHBondContact O-CG1 3.36Å; V197-I201 PolarHBondContact O-N 3.39Å; L198-I201 HydrophobicContact CD2-CD1 4.43Å; L198-I201 WeakPolarHBondContact O-CB 3.43Å; L198-I201 PolarHBondContact O-N 3.28Å; K199-I201 VanDerWaalsContact C-N 3.32Å; K199-I201 PolarHBondContact O-N 3Å; I201-W204 PolarHBondContact O-N 2.98Å; I201-K205 HydrophobicContact CG2-CD 4.47Å; I201-K205 WeakPolarHBondContact O-CG 3.36Å; I201-K205 PolarHBondContact O-N 3.15Å; I201-L224 HydrophobicContact CG1-CD1 4.19Å; I201-L224 HydrophobicContact CG1-CD2 3.69Å; I201-L224 HydrophobicContact CG1-CG 4.03Å; I201-L274 HydrophobicContact CG2-CD2 3.98Å
202Q89.8Confident91.6Very high60 Ų6032.9 Ų32.928%0.2818%0.182SC..Hα-helixtrans-64.7-40.2177.4-59.1-67.36700111.6L198 K199 W204 K205 R206 D436L198-Q202 WeakPolarHBondContact O-CG 3.48Å; L198-Q202 PolarHBondContact O-N 2.96Å; K199-Q202 PolarHBondContact O-N 2.75Å; Q202-W204 PolarHBondContact O-N 2.8Å; Q202-K205 PolarHBondContact O-N 2.79Å; Q202-R206 PolarHBondContact O-N 3.42Å; Q202-D436 PolarHBondContact NE2-OD1 3.36Å
203I87.4Confident91.6Very high21 Ų2129 Ų2911%0.10816%0.158CC..Hα-helixtrans-59.4-45.6173.2-67165000110.8K199 R200 K205 R206 Q207 P796K199-I203 HydrophobicContact CG-CD1 4.37Å; K199-I203 WeakPolarHBondContact O-CG1 3.27Å; K199-I203 PolarHBondContact O-N 2.85Å; R200-I203 PolarHBondContact O-N 3.22Å; I203-K205 PolarHBondContact O-N 2.93Å; I203-R206 PolarHBondContact O-N 3.12Å; I203-Q207 HydrophobicContact CG2-CG 4.37Å; I203-Q207 VanDerWaalsContact O-CG 3.27Å; I203-Q207 WeakPolarHBondContact O-CG 3.48Å; I203-Q207 PolarHBondContact O-N 3.15Å; I203-P796 HydrophobicContact CD1-CB 3.93Å
204W91.5Very high91.4Very high5 Ų530.3 Ų30.32%0.01917%0.172CC..Hα-helixtrans-61.8-41177178.888.9000112.1R200 I201 Q202 Q207 Q208 F217 E218 L221 L224 L274R200-W204 WeakPolarHBondContact O-CB 3.17Å; R200-W204 PolarHBondContact O-N 3.21Å; I201-W204 PolarHBondContact O-N 2.98Å; Q202-W204 PolarHBondContact O-N 2.8Å; W204-Q207 PolarHBondContact O-N 3.29Å; W204-Q208 WeakPolarHBondContact O-CB 3.49Å; W204-Q208 PolarHBondContact O-N 3.16Å; W204-F217 AromaticContact CE2-CZ 3.69Å; W204-F217 AromaticContact CZ2-CZ 3.8Å; W204-F217 HydrophobicContact CZ2-CZ 3.8Å; W204-F217 AromaticContact NE1-CE2 3.75Å; W204-F217 AromaticContact NE1-CZ 3.57Å; W204-E218 PolarHBondContact NE1-O 2.83Å; W204-L221 HydrophobicContact CD2-CD2 3.68Å; W204-L221 VanDerWaalsContact CE2-CD2 3.46Å; W204-L221 HydrophobicContact CE3-CD2 4.07Å; W204-L221 HydrophobicContact CG-CD2 4.22Å; W204-L221 HydrophobicContact CH2-CD1 3.9Å; W204-L221 HydrophobicContact CH2-CD2 4.09Å; W204-L221 HydrophobicContact CH2-CG 4.14Å; W204-L221 HydrophobicContact CZ2-CD1 3.83Å; W204-L221 HydrophobicContact CZ2-CD2 3.68Å; W204-L221 HydrophobicContact CZ2-CG 3.6Å; W204-L221 HydrophobicContact CZ3-CD2 4.27Å; W204-L224 HydrophobicContact CB-CD2 4.21Å; W204-L224 HydrophobicContact CG-CD2 4.34Å; W204-L274 HydrophobicContact CE3-CD2 3.75Å; W204-L274 HydrophobicContact CZ3-CB 4.33Å; W204-L274 HydrophobicContact CZ3-CD2 3.69Å
205K92Very high91.1Very high78 Ų7829.4 Ų29.434%0.33917%0.17SC..Hα-helixtrans-63.1-41.1173.9-68.6175.5-167.9163.60112.3I201 Q202 I203 Q208 Q209I201-K205 HydrophobicContact CG2-CD 4.47Å; I201-K205 WeakPolarHBondContact O-CG 3.36Å; I201-K205 PolarHBondContact O-N 3.15Å; Q202-K205 PolarHBondContact O-N 2.79Å; I203-K205 PolarHBondContact O-N 2.93Å; K205-Q208 PolarHBondContact O-N 3.2Å; K205-Q209 PolarHBondContact O-N 3.4Å
206R90.9Very high90.6Very high8 Ų831.1 Ų31.13%0.0318%0.176CC..Hα-helixtrans-65.6-40176-169.367.7178.7113.56.1111.3Q202 I203 Q209 L210 N430 A431 S433 M435 E799Q202-R206 PolarHBondContact O-N 3.42Å; I203-R206 PolarHBondContact O-N 3.12Å; R206-Q209 PolarHBondContact O-N 3.08Å; R206-L210 HydrophobicContact CG-CD1 4.45Å; R206-L210 WeakPolarHBondContact O-CG 3.45Å; R206-L210 PolarHBondContact O-N 3.26Å; R206-N430 PolarHBondContact NH1-O 3.26Å; R206-A431 PolarHBondContact NH2-O 2.93Å; R206-S433 PolarHBondContact NE-O 2.64Å; R206-S433 VanDerWaalsContact NE-O 3.14Å; R206-S433 PolarHBondContact NH2-O 2.88Å; R206-M435 HydrophobicContact CB-CG 4.06Å; R206-M435 HydrophobicContact CB-SD 4.09Å; R206-M435 HydrophobicContact CG-CG 3.96Å; R206-M435 HydrophobicContact CG-SD 4.22Å; R206-E799 IonicContact CZ-OE1 2.72Å; R206-E799 IonicContact NE-OE1 2.66Å; R206-E799 PolarHBondContact NE-OE1 3.21Å; R206-E799 IonicContact NH2-OE1 3.45Å; R206-E799 PolarHBondContact NH2-OE1 3.17Å; R206-E799 IonicContact NH2-OE2 2.76Å
207Q89.8Confident90.5Very high25 Ų2532.1 Ų32.112%0.11718%0.179CC..Hα-helixtrans-60.8-45.2172.1-69.4174.2-52.400111.3I203 W204 Q209 L210 A211 F217I203-Q207 HydrophobicContact CG2-CG 4.37Å; I203-Q207 VanDerWaalsContact O-CG 3.27Å; I203-Q207 WeakPolarHBondContact O-CG 3.48Å; I203-Q207 PolarHBondContact O-N 3.15Å; W204-Q207 PolarHBondContact O-N 3.29Å; Q207-Q209 VanDerWaalsContact C-N 3.34Å; Q207-Q209 PolarHBondContact O-N 3.44Å; Q207-L210 PolarHBondContact O-N 2.79Å; Q207-A211 WeakPolarHBondContact O-CB 3.5Å; Q207-A211 PolarHBondContact O-N 3.43Å; Q207-F217 HydrophobicContact CB-CD2 3.8Å; Q207-F217 HydrophobicContact CB-CE2 3.93Å
208Q93.9Very high89.9Confident15 Ų1536.7 Ų36.77%0.0720%0.2CC..Hα-helixtrans-62.8-37175.3-165.4-166.548.400112.4W204 K205 A211 G212 F217 V275 E276 Q278W204-Q208 WeakPolarHBondContact O-CB 3.49Å; W204-Q208 PolarHBondContact O-N 3.16Å; K205-Q208 PolarHBondContact O-N 3.2Å; Q208-A211 VanDerWaalsContact O-CB 3.31Å; Q208-A211 WeakPolarHBondContact O-CB 3.48Å; Q208-A211 PolarHBondContact O-N 3.29Å; Q208-G212 PolarHBondContact O-N 3.27Å; Q208-F217 HydrophobicContact CB-CE1 4.13Å; Q208-F217 HydrophobicContact CB-CE2 3.87Å; Q208-F217 HydrophobicContact CB-CZ 3.55Å; Q208-F217 HydrophobicContact CG-CE1 3.89Å; Q208-F217 HydrophobicContact CG-CZ 3.74Å; Q208-V275 PolarHBondContact NE2-O 2.99Å; Q208-V275 PolarHBondContact OE1-O 3.44Å; Q208-E276 PolarHBondContact NE2-O 2.99Å; Q208-Q278 HydrophobicContact CG-CG 4.41Å
209Q92.9Very high89.4Confident13 Ų1342.2 Ų42.26%0.06123%0.226CC..Hα-helixtrans-65.6-46.4175.8-170.8-177.328.100111.9K205 R206 Q207 A211 G212 L408 D429 N430 S433K205-Q209 PolarHBondContact O-N 3.4Å; R206-Q209 PolarHBondContact O-N 3.08Å; Q207-Q209 VanDerWaalsContact C-N 3.34Å; Q207-Q209 PolarHBondContact O-N 3.44Å; Q209-A211 VanDerWaalsContact C-N 3.25Å; Q209-A211 PolarHBondContact O-N 2.87Å; Q209-G212 PolarHBondContact O-N 2.99Å; Q209-G212 VanDerWaalsContact O-N 3.14Å; Q209-L408 HydrophobicContact CB-CD1 4.25Å; Q209-L408 HydrophobicContact CB-CD2 3.88Å; Q209-L408 HydrophobicContact CG-CD1 4.29Å; Q209-L408 HydrophobicContact CG-CD2 3.81Å; Q209-D429 PolarHBondContact NE2-OD1 2.95Å; Q209-N430 HydrophobicContact CG-CB 4.03Å; Q209-N430 WeakPolarHBondContact CG-OD1 3.45Å; Q209-S433 PolarHBondContact NE2-OG 2.73Å
210L92.3Very high89.3Confident14 Ų1440 Ų407%0.07322%0.223CC..Hα-helixtrans-65.6-30.3176-67.2170.1000111.6R206 Q207 G212 N213 G214 A215R206-L210 HydrophobicContact CG-CD1 4.45Å; R206-L210 WeakPolarHBondContact O-CG 3.45Å; R206-L210 PolarHBondContact O-N 3.26Å; Q207-L210 PolarHBondContact O-N 2.79Å; L210-G212 PolarHBondContact O-N 2.99Å; L210-N213 WeakPolarHBondContact O-CB 3.35Å; L210-N213 PolarHBondContact O-N 3.36Å; L210-G214 PolarHBondContact O-N 2.91Å; L210-A215 HydrophobicContact CB-CB 3.78Å; L210-A215 VanDerWaalsContact O-CB 3.24Å; L210-A215 WeakPolarHBondContact O-CB 3.43Å; L210-A215 PolarHBondContact O-N 2.99Å; L210-A215 VanDerWaalsContact O-N 3.11Å
211A91.8Very high89.4Confident29 Ų2938.5 Ų38.524%0.2422%0.218CC..Hα-helixtrans-59.4-34.4172.700000112.3Q207 Q208 Q209 N213 G214 F217Q207-A211 WeakPolarHBondContact O-CB 3.5Å; Q207-A211 PolarHBondContact O-N 3.43Å; Q208-A211 VanDerWaalsContact O-CB 3.31Å; Q208-A211 WeakPolarHBondContact O-CB 3.48Å; Q208-A211 PolarHBondContact O-N 3.29Å; Q209-A211 VanDerWaalsContact C-N 3.25Å; Q209-A211 PolarHBondContact O-N 2.87Å; A211-N213 PolarHBondContact O-N 3.46Å; A211-G214 PolarHBondContact O-N 2.75Å; A211-F217 HydrophobicContact CB-CB 3.59Å; A211-F217 HydrophobicContact CB-CD1 3.89Å; A211-F217 HydrophobicContact CB-CD2 4.49Å; A211-F217 HydrophobicContact CB-CG 3.75Å
212G91.1Very high89.5Confident39 Ų3940.7 Ų40.740%0.40224%0.236SC..THydrogen-bonded Turntrans-60-23.2172.700000114.1Q208 Q209 L210Q208-G212 PolarHBondContact O-N 3.27Å; Q209-G212 PolarHBondContact O-N 2.99Å; Q209-G212 VanDerWaalsContact O-N 3.14Å; L210-G212 PolarHBondContact O-N 2.99Å
213N93.2Very high89.6Confident6 Ų640.6 Ų40.63%0.03224%0.241CC..THydrogen-bonded Turntrans-94.2-3.5173.2-75.12.6000113.8L210 A211 L427 N430 A431L210-N213 WeakPolarHBondContact O-CB 3.35Å; L210-N213 PolarHBondContact O-N 3.36Å; A211-N213 PolarHBondContact O-N 3.46Å; N213-L427 HydrophobicContact CB-CD1 4.25Å; N213-L427 PolarHBondContact ND2-O 3.04Å; N213-N430 VanDerWaalsContact CG-CB 3.45Å; N213-N430 WeakPolarHBondContact ND2-CB 3.49Å; N213-N430 WeakPolarHBondContact OD1-CB 3.3Å; N213-N430 PolarHBondContact OD1-ND2 2.97Å; N213-N430 VanDerWaalsContact OD1-ND2 3.1Å; N213-A431 PolarHBondContact ND2-N 2.87Å
214G89.1Confident89.9Confident28 Ų2840.1 Ų40.129%0.28924%0.238SC..THydrogen-bonded Turntrans105.313.2-178.700000115.6L210 A211L210-G214 PolarHBondContact O-N 2.91Å; A211-G214 PolarHBondContact O-N 2.75Å
215A87.8Confident90.1Very high11 Ų1140 Ų409%0.09124%0.238CC..  trans-63.8142.9172.300000112.2L210 F217 L457 L806L210-A215 HydrophobicContact CB-CB 3.78Å; L210-A215 VanDerWaalsContact O-CB 3.24Å; L210-A215 WeakPolarHBondContact O-CB 3.43Å; L210-A215 PolarHBondContact O-N 2.99Å; L210-A215 VanDerWaalsContact O-N 3.11Å; A215-F217 PolarHBondContact O-N 2.71Å; A215-L457 HydrophobicContact CB-CD2 4.11Å; A215-L806 HydrophobicContact CB-CD1 3.62Å; A215-L806 HydrophobicContact CB-CD2 4.17Å; A215-L806 HydrophobicContact CB-CG 4.49Å
216P83.1Confident90.2Very high90 Ų9042.2 Ų42.258%0.58425%0.249SC*.  trans-58.6136.8162.325.4-34.3000110.5L806P216-L806 HydrophobicContact CG-CD2 3.78Å
217F86.8Confident90.4Very high56 Ų5643.1 Ų43.125%0.24625%0.253CS..  trans-142.9142.5-169.5176-129.6000111.9W204 Q207 Q208 A211 A215 E219W204-F217 AromaticContact CE2-CZ 3.69Å; W204-F217 AromaticContact CZ2-CZ 3.8Å; W204-F217 HydrophobicContact CZ2-CZ 3.8Å; W204-F217 AromaticContact NE1-CE2 3.75Å; W204-F217 AromaticContact NE1-CZ 3.57Å; Q207-F217 HydrophobicContact CB-CD2 3.8Å; Q207-F217 HydrophobicContact CB-CE2 3.93Å; Q208-F217 HydrophobicContact CB-CE1 4.13Å; Q208-F217 HydrophobicContact CB-CE2 3.87Å; Q208-F217 HydrophobicContact CB-CZ 3.55Å; Q208-F217 HydrophobicContact CG-CE1 3.89Å; Q208-F217 HydrophobicContact CG-CZ 3.74Å; A211-F217 HydrophobicContact CB-CB 3.59Å; A211-F217 HydrophobicContact CB-CD1 3.89Å; A211-F217 HydrophobicContact CB-CD2 4.49Å; A211-F217 HydrophobicContact CB-CG 3.75Å; A215-F217 PolarHBondContact O-N 2.71Å; F217-E219 HydrophobicContact CD1-CG 3.72Å; F217-E219 HydrophobicContact CE1-CB 4.32Å; F217-E219 HydrophobicContact CE1-CG 3.87Å
218E80.4Confident90.7Very high95 Ų9541.9 Ų41.944%0.44425%0.247SC..  trans-9496.9172.1-175.9-176.9-15700109.1R200 W204 S220R200-E218 IonicContact NH2-OE2 2.68Å; R200-E218 PolarHBondContact NH2-OE2 2.94Å; W204-E218 PolarHBondContact NE1-O 2.83Å; E218-S220 PolarHBondContact O-N 3.18Å
219E81.9Confident90.7Very high153 Ų15342.1 Ų42.172%0.71525%0.248SC*.  trans-66.2-16.8-179.1-62-171.8160.900113.4F217 L221F217-E219 HydrophobicContact CD1-CG 3.72Å; F217-E219 HydrophobicContact CE1-CB 4.32Å; F217-E219 HydrophobicContact CE1-CG 3.87Å; E219-L221 PolarHBondContact O-N 2.91Å; E219-L221 VanDerWaalsContact O-N 3.12Å
220S87.9Confident90.9Very high60 Ų6042.8 Ų42.842%0.4225%0.254SS..  trans-73.5104.2-172.2-169.80000113E218 A222 P223E218-S220 PolarHBondContact O-N 3.18Å; S220-A222 PolarHBondContact O-N 3.4Å; S220-A222 PolarHBondContact OG-N 3.02Å; S220-P223 WeakPolarHBondContact O-CD 3.3Å
221L92.8Very high91Very high0 Ų042.2 Ų42.20%025%0.252CS..  trans-74.5-3.1166.9-80.1173.5000113.8W204 E219 L224 Q225 L274 E276 R294 L296W204-L221 HydrophobicContact CD2-CD2 3.68Å; W204-L221 VanDerWaalsContact CE2-CD2 3.46Å; W204-L221 HydrophobicContact CE3-CD2 4.07Å; W204-L221 HydrophobicContact CG-CD2 4.22Å; W204-L221 HydrophobicContact CH2-CD1 3.9Å; W204-L221 HydrophobicContact CH2-CD2 4.09Å; W204-L221 HydrophobicContact CH2-CG 4.14Å; W204-L221 HydrophobicContact CZ2-CD1 3.83Å; W204-L221 HydrophobicContact CZ2-CD2 3.68Å; W204-L221 HydrophobicContact CZ2-CG 3.6Å; W204-L221 HydrophobicContact CZ3-CD2 4.27Å; E219-L221 PolarHBondContact O-N 2.91Å; E219-L221 VanDerWaalsContact O-N 3.12Å; L221-L224 HydrophobicContact CD2-CB 4.36Å; L221-L224 HydrophobicContact CD2-CD2 3.73Å; L221-L224 PolarHBondContact O-N 3.22Å; L221-Q225 PolarHBondContact O-N 3.11Å; L221-L274 HydrophobicContact CD2-CD2 4.37Å; L221-E276 HydrophobicContact CD1-CB 4.05Å; L221-E276 HydrophobicContact CD1-CG 3.93Å; L221-R294 HydrophobicContact CD1-CB 4.34Å; L221-L296 HydrophobicContact CB-CD2 4.1Å; L221-L296 HydrophobicContact CD1-CD2 4.4Å; L221-L296 HydrophobicContact CD2-CD2 4.43Å
222A92.4Very high91.1Very high48 Ų4841.2 Ų41.240%0.39724%0.242SC..Hα-helixtrans-63.9-45.3-173.500000114.5S220 L224 Q225 E226S220-A222 PolarHBondContact O-N 3.4Å; S220-A222 PolarHBondContact OG-N 3.02Å; A222-L224 PolarHBondContact O-N 3.33Å; A222-Q225 WeakPolarHBondContact O-CB 3.35Å; A222-Q225 PolarHBondContact O-N 2.91Å; A222-E226 PolarHBondContact O-N 3.33Å
223P92.2Very high91.3Very high59 Ų5942 Ų4238%0.38324%0.237SC..Hα-helixtrans-64.6-31.2175-19.833000112S220 R227S220-P223 WeakPolarHBondContact O-CD 3.3Å; P223-R227 WeakPolarHBondContact O-CG 3.3Å; P223-R227 PolarHBondContact O-N 2.87Å
224L94.1Very high91.4Very high10 Ų1041.8 Ų41.85%0.05224%0.236CC..Hα-helixtrans-72.6-35.4177.6-157.858.5000111.2R200 I201 W204 L221 A222 C228 L296R200-L224 HydrophobicContact CB-CD1 4.06Å; R200-L224 HydrophobicContact CG-CD1 3.63Å; I201-L224 HydrophobicContact CG1-CD1 4.19Å; I201-L224 HydrophobicContact CG1-CD2 3.69Å; I201-L224 HydrophobicContact CG1-CG 4.03Å; W204-L224 HydrophobicContact CB-CD2 4.21Å; W204-L224 HydrophobicContact CG-CD2 4.34Å; L221-L224 HydrophobicContact CD2-CB 4.36Å; L221-L224 HydrophobicContact CD2-CD2 3.73Å; L221-L224 PolarHBondContact O-N 3.22Å; A222-L224 PolarHBondContact O-N 3.33Å; L224-C228 PolarHBondContact O-N 3.21Å; L224-C228 VanDerWaalsContact O-N 3.12Å; L224-C228 PolarHBondContact O-SG 3.03Å; L224-L296 HydrophobicContact CG-CD1 4.29Å
225Q95.3Very high91.6Very high2 Ų241.7 Ų41.71%0.00923%0.227CC..Hα-helixtrans-62.1-49.4171.8-161.9179.8-60.600111.7L221 A222 R227 C228 E229 R294 L296 N354L221-Q225 PolarHBondContact O-N 3.11Å; A222-Q225 WeakPolarHBondContact O-CB 3.35Å; A222-Q225 PolarHBondContact O-N 2.91Å; Q225-R227 VanDerWaalsContact C-N 3.3Å; Q225-R227 PolarHBondContact O-N 3.31Å; Q225-C228 PolarHBondContact O-N 3.41Å; Q225-C228 VanDerWaalsContact O-N 3.12Å; Q225-E229 HydrophobicContact CG-CG 4.41Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.27Å; Q225-E229 PolarHBondContact NE2-OE1 3.31Å; Q225-E229 WeakPolarHBondContact O-CB 3.33Å; Q225-E229 WeakPolarHBondContact O-CG 3.27Å; Q225-E229 PolarHBondContact O-N 2.93Å; Q225-R294 VanDerWaalsContact OE1-NE 3.13Å; Q225-L296 HydrophobicContact CB-CB 4.44Å; Q225-L296 HydrophobicContact CB-CD2 4.03Å; Q225-L296 HydrophobicContact CG-CB 4.03Å; Q225-L296 HydrophobicContact CG-CD2 4.25Å; Q225-L296 WeakPolarHBondContact CG-O 3.37Å; Q225-N354 PolarHBondContact NE2-O 2.87Å; Q225-N354 PolarHBondContact OE1-O 3.26Å
226E94.4Very high91.8Very high125 Ų12543.6 Ų43.658%0.58424%0.24SC*.Hα-helixtrans-54.7-44.5177.4-175.4-169.1168.900111.9A222 S230A222-E226 PolarHBondContact O-N 3.33Å; E226-S230 WeakPolarHBondContact O-CB 3.4Å; E226-S230 PolarHBondContact O-N 3.47Å; E226-S230 PolarHBondContact O-OG 2.72Å
227R95.1Very high92.4Very high27 Ų2743.5 Ų43.510%0.10223%0.232CC..Hα-helixtrans-63.3-43.7176.3-66.9-174.4-175.1-163.311.9112.5E126 F130 V197 P223 Q225 L231E126-R227 IonicContact OE1-CZ 2.72Å; E126-R227 IonicContact OE1-NH1 3.25Å; E126-R227 PolarHBondContact OE1-NH1 2.84Å; E126-R227 IonicContact OE1-NH2 3.5Å; E126-R227 IonicContact OE2-CZ 2.69Å; E126-R227 IonicContact OE2-NH1 2.83Å; E126-R227 PolarHBondContact OE2-NH1 3.23Å; E126-R227 IonicContact OE2-NH2 3.81Å; E126-R227 PolarHBondContact OE2-NH2 2.88Å; F130-R227 HydrophobicContact CD1-CB 4.41Å; F130-R227 HydrophobicContact CD1-CG 3.74Å; F130-R227 HydrophobicContact CE1-CB 3.72Å; F130-R227 HydrophobicContact CE1-CG 3.43Å; F130-R227 VanDerWaalsContact CE1-CG 3.43Å; F130-R227 HydrophobicContact CZ-CB 3.83Å; F130-R227 HydrophobicContact CZ-CG 4.07Å; V197-R227 HydrophobicContact CG2-CB 4.13Å; P223-R227 WeakPolarHBondContact O-CG 3.3Å; P223-R227 PolarHBondContact O-N 2.87Å; Q225-R227 VanDerWaalsContact C-N 3.3Å; Q225-R227 PolarHBondContact O-N 3.31Å; R227-L231 PolarHBondContact O-N 3.45Å
228C95.9Very high92.7Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-65.8-45.7177.6-68.10000112V197 L224 Q225 L231 V232 C272 L296 L297V197-C228 WeakPolarHBondContact CG1-SG 3.23Å; L224-C228 PolarHBondContact O-N 3.21Å; L224-C228 VanDerWaalsContact O-N 3.12Å; L224-C228 PolarHBondContact O-SG 3.03Å; Q225-C228 PolarHBondContact O-N 3.41Å; Q225-C228 VanDerWaalsContact O-N 3.12Å; C228-L231 PolarHBondContact O-N 2.8Å; C228-V232 PolarHBondContact O-N 2.67Å; C228-V232 VanDerWaalsContact O-N 3.11Å; C228-C272 PolarHBondContact SG-SG 2.72Å; C228-L296 HydrophobicContact CB-CB 4.46Å; C228-L297 HydrophobicContact CB-CD2 3.86Å; C228-L297 HydrophobicContact CB-CG 4.28Å
229E94.9Very high93.3Very high19 Ų1938.4 Ų38.49%0.08921%0.208CC..Hα-helixtrans-58.3-47.1176-75.9-177.3-15800111.1Q225 L231 V232 D233 L297 R300Q225-E229 HydrophobicContact CG-CG 4.41Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.27Å; Q225-E229 PolarHBondContact NE2-OE1 3.31Å; Q225-E229 WeakPolarHBondContact O-CB 3.33Å; Q225-E229 WeakPolarHBondContact O-CG 3.27Å; Q225-E229 PolarHBondContact O-N 2.93Å; E229-L231 VanDerWaalsContact C-N 3.31Å; E229-L231 PolarHBondContact O-N 2.91Å; E229-V232 WeakPolarHBondContact O-CB 3.33Å; E229-V232 PolarHBondContact O-N 3.18Å; E229-D233 VanDerWaalsContact O-CG 3.3Å; E229-D233 PolarHBondContact O-N 2.83Å; E229-L297 HydrophobicContact CG-CD2 4.24Å; E229-R300 VanDerWaalsContact CD-NH1 3.28Å; E229-R300 HydrophobicContact CG-CG 4.29Å; E229-R300 IonicContact OE1-NH1 2.7Å; E229-R300 IonicContact OE2-CZ 3.46Å; E229-R300 VanDerWaalsContact OE2-CZ 3.27Å; E229-R300 IonicContact OE2-NH1 3.39Å; E229-R300 PolarHBondContact OE2-NH1 3.2Å; E229-R300 IonicContact OE2-NH2 2.76Å; E229-R300 PolarHBondContact OE2-NH2 3.17Å; E229-R300 VanDerWaalsContact OE2-NH2 3.17Å
230S95.7Very high93.7Very high27 Ų2737 Ų3719%0.18920%0.202CC..Hα-helixtrans-60.2-36.6179.2-58.40000113.3E226 I234E226-S230 WeakPolarHBondContact O-CB 3.4Å; E226-S230 PolarHBondContact O-N 3.47Å; E226-S230 PolarHBondContact O-OG 2.72Å; S230-I234 WeakPolarHBondContact O-CG1 3.38Å; S230-I234 PolarHBondContact O-N 3.32Å
231L95.8Very high93.9Very high3 Ų334.8 Ų34.82%0.01619%0.185CC..Hα-helixtrans-71-34.7174-69.3-175.2000112.6F130 L134 L190 A193 V197 R227 C228 E229 Y235 L268F130-L231 HydrophobicContact CE2-CD1 4.19Å; F130-L231 HydrophobicContact CE2-CD2 4.11Å; F130-L231 HydrophobicContact CE2-CG 4.22Å; F130-L231 HydrophobicContact CZ-CD2 4.17Å; F130-L231 HydrophobicContact CZ-CG 4.13Å; L134-L231 HydrophobicContact CD1-CD2 3.91Å; L190-L231 HydrophobicContact CD1-CD2 4.15Å; A193-L231 HydrophobicContact CB-CD2 3.81Å; V197-L231 HydrophobicContact CB-CD1 4.12Å; V197-L231 HydrophobicContact CG2-CD1 3.65Å; R227-L231 PolarHBondContact O-N 3.45Å; C228-L231 PolarHBondContact O-N 2.8Å; E229-L231 VanDerWaalsContact C-N 3.31Å; E229-L231 PolarHBondContact O-N 2.91Å; L231-Y235 VanDerWaalsContact O-CB 3.27Å; L231-Y235 WeakPolarHBondContact O-CB 3.46Å; L231-Y235 PolarHBondContact O-N 3.17Å; L231-L268 HydrophobicContact CB-CD2 4.04Å
232V94Very high93.8Very high7 Ų734.8 Ų34.84%0.04219%0.185CC..Hα-helixtrans-67.4-38174.2165.90000111.5C228 E229 Y235 S236 L268 L297 R300 F301C228-V232 PolarHBondContact O-N 2.67Å; C228-V232 VanDerWaalsContact O-N 3.11Å; E229-V232 WeakPolarHBondContact O-CB 3.33Å; E229-V232 PolarHBondContact O-N 3.18Å; V232-Y235 PolarHBondContact O-N 3.25Å; V232-S236 WeakPolarHBondContact O-CB 3.07Å; V232-S236 PolarHBondContact O-N 2.96Å; V232-L268 HydrophobicContact CG2-CD2 3.85Å; V232-L297 HydrophobicContact CB-CD2 4.27Å; V232-L297 HydrophobicContact CG2-CD1 3.73Å; V232-L297 HydrophobicContact CG2-CD2 3.61Å; V232-L297 HydrophobicContact CG2-CG 4.28Å; V232-R300 HydrophobicContact CG1-CG 4.5Å; V232-F301 HydrophobicContact CG1-CE1 4.1Å; V232-F301 HydrophobicContact CG1-CE2 4.3Å; V232-F301 HydrophobicContact CG1-CZ 3.53Å; V232-F301 HydrophobicContact CG2-CE2 4.28Å; V232-F301 HydrophobicContact CG2-CZ 4.11Å
233D94.3Very high93.6Very high56 Ų5634.2 Ų34.230%0.29918%0.184SC..Hα-helixtrans-67-42178.6-63.9-27.7000111.3E229 S236 Q237 R300E229-D233 VanDerWaalsContact O-CG 3.3Å; E229-D233 PolarHBondContact O-N 2.83Å; D233-S236 WeakPolarHBondContact O-CB 3.48Å; D233-S236 PolarHBondContact O-N 3.3Å; D233-Q237 WeakPolarHBondContact O-CG 3.21Å; D233-Q237 PolarHBondContact O-N 3.32Å; D233-Q237 VanDerWaalsContact O-N 3.13Å; D233-R300 IonicContact OD1-CZ 2.68Å; D233-R300 IonicContact OD1-NE 3.57Å; D233-R300 PolarHBondContact OD1-NE 3.23Å; D233-R300 IonicContact OD1-NH2 3.51Å; D233-R300 IonicContact OD2-CZ 3.96Å; D233-R300 IonicContact OD2-NE 3.31Å; D233-R300 PolarHBondContact OD2-NE 3.15Å; D233-R300 IonicContact OD2-NH2 2.99Å; D233-R300 PolarHBondContact OD2-NH2 2.9Å
234I95.1Very high93.4Very high2 Ų234.4 Ų34.41%0.0119%0.19CC..Hα-helixtrans-66-43.7172.8-67.2171.4000111.5L134 L137 Q138 L190 S230 S236 Q237 L238L134-I234 HydrophobicContact CD1-CD1 3.45Å; L134-I234 VanDerWaalsContact CD1-CD1 3.45Å; L134-I234 HydrophobicContact CG-CD1 4.08Å; L137-I234 HydrophobicContact CB-CD1 3.98Å; L137-I234 HydrophobicContact CB-CG2 4.19Å; Q138-I234 HydrophobicContact CG-CD1 3.84Å; Q138-I234 HydrophobicContact CG-CG1 4.24Å; L190-I234 HydrophobicContact CD1-CG2 4.23Å; S230-I234 WeakPolarHBondContact O-CG1 3.38Å; S230-I234 PolarHBondContact O-N 3.32Å; I234-S236 VanDerWaalsContact C-N 3.25Å; I234-S236 PolarHBondContact O-N 3.37Å; I234-Q237 PolarHBondContact O-N 3.4Å; I234-L238 HydrophobicContact CG2-CD1 4.11Å; I234-L238 PolarHBondContact O-N 2.92Å
235Y94.4Very high92.9Very high26 Ų2634 Ų3410%0.10219%0.188CC..Hα-helixtrans-54.9-43.3172.7156.9-87.2000111.3L231 V232 Q237 L238 Q239 L261 L265L231-Y235 VanDerWaalsContact O-CB 3.27Å; L231-Y235 WeakPolarHBondContact O-CB 3.46Å; L231-Y235 PolarHBondContact O-N 3.17Å; V232-Y235 PolarHBondContact O-N 3.25Å; Y235-Q237 VanDerWaalsContact C-N 3.33Å; Y235-Q237 PolarHBondContact O-N 3.39Å; Y235-L238 PolarHBondContact O-N 3.36Å; Y235-Q239 HydrophobicContact CE2-CB 4.48Å; Y235-Q239 WeakPolarHBondContact O-CB 3.38Å; Y235-Q239 PolarHBondContact O-N 3.01Å; Y235-Q239 PolarHBondContact OH-NE2 3.25Å; Y235-L261 HydrophobicContact CD2-CB 4.21Å; Y235-L261 HydrophobicContact CD2-CD2 4.2Å; Y235-L261 HydrophobicContact CE2-CB 3.81Å; Y235-L261 VanDerWaalsContact CE2-O 3.25Å; Y235-L261 WeakPolarHBondContact CE2-O 3.29Å; Y235-L265 HydrophobicContact CD1-CD1 4.35Å; Y235-L265 HydrophobicContact CD2-CB 4.21Å; Y235-L265 HydrophobicContact CE1-CB 4.35Å; Y235-L265 HydrophobicContact CE1-CD1 4.23Å; Y235-L265 HydrophobicContact CE1-CD2 3.74Å; Y235-L265 HydrophobicContact CE1-CG 4.33Å; Y235-L265 HydrophobicContact CE2-CB 3.8Å; Y235-L265 HydrophobicContact CE2-CD2 4.33Å; Y235-L265 WeakPolarHBondContact OH-CD2 3.37Å
236S92.2Very high92.2Very high51 Ų5135.2 Ų35.236%0.35720%0.201SC..Hα-helixtrans-64.9-38-179.4-171.60000111.7V232 D233 I234 Q240V232-S236 WeakPolarHBondContact O-CB 3.07Å; V232-S236 PolarHBondContact O-N 2.96Å; D233-S236 WeakPolarHBondContact O-CB 3.48Å; D233-S236 PolarHBondContact O-N 3.3Å; I234-S236 VanDerWaalsContact C-N 3.25Å; I234-S236 PolarHBondContact O-N 3.37Å; S236-Q240 VanDerWaalsContact O-CG 3.27Å; S236-Q240 WeakPolarHBondContact O-CG 3.47Å; S236-Q240 PolarHBondContact O-N 3.1Å; S236-Q240 VanDerWaalsContact O-N 3.13Å; S236-Q240 PolarHBondContact O-NE2 3.19Å; S236-Q240 PolarHBondContact OG-NE2 2.92Å
237Q94.6Very high91.3Very high87 Ų8733.1 Ų33.141%0.40721%0.214SC..Hα-helixtrans-65.5-48.6173.5-65.3163.416.600110.8V141 D233 I234 Y235 Q239 Q240 E241V141-Q237 HydrophobicContact CG1-CB 3.89Å; D233-Q237 WeakPolarHBondContact O-CG 3.21Å; D233-Q237 PolarHBondContact O-N 3.32Å; D233-Q237 VanDerWaalsContact O-N 3.13Å; I234-Q237 PolarHBondContact O-N 3.4Å; Y235-Q237 VanDerWaalsContact C-N 3.33Å; Y235-Q237 PolarHBondContact O-N 3.39Å; Q237-Q239 PolarHBondContact O-N 3.22Å; Q237-Q240 WeakPolarHBondContact O-CB 3.34Å; Q237-Q240 PolarHBondContact O-N 2.99Å; Q237-Q240 VanDerWaalsContact O-N 3.11Å; Q237-E241 WeakPolarHBondContact O-CG 3.37Å; Q237-E241 PolarHBondContact O-N 2.93Å
238L93.6Very high90.5Very high0 Ų033.8 Ų33.80%022%0.218CC..Hα-helixtrans-58.6-43.8176.6-77.6164.9000113.1V141 I144 L183 T186 L190 I234 Y235 Q240 E241 V242 L261V141-L238 HydrophobicContact CG2-CD1 4.48Å; V141-L238 HydrophobicContact CG2-CD2 3.52Å; V141-L238 HydrophobicContact CG2-CG 3.81Å; I144-L238 HydrophobicContact CD1-CD2 3.92Å; L183-L238 HydrophobicContact CD2-CD2 4.29Å; T186-L238 HydrophobicContact CG2-CD1 4.18Å; T186-L238 HydrophobicContact CG2-CD2 3.88Å; L190-L238 HydrophobicContact CD2-CD1 3.89Å; I234-L238 HydrophobicContact CG2-CD1 4.11Å; I234-L238 PolarHBondContact O-N 2.92Å; Y235-L238 PolarHBondContact O-N 3.36Å; L238-Q240 VanDerWaalsContact C-N 3.26Å; L238-Q240 PolarHBondContact O-N 3.44Å; L238-E241 PolarHBondContact O-N 3.13Å; L238-V242 WeakPolarHBondContact O-CG2 3.48Å; L238-V242 PolarHBondContact O-N 3.44Å; L238-L261 HydrophobicContact CB-CD1 4.35Å; L238-L261 HydrophobicContact CB-CD2 4.19Å; L238-L261 HydrophobicContact CD1-CD2 4.35Å
239Q92Very high89.9Confident44 Ų4434.3 Ų34.321%0.20622%0.221CC..Hα-helixtrans-66.5-29.8178.6-164.374.3-41.900111.6Y235 Q237 G243 L261 D262Y235-Q239 HydrophobicContact CE2-CB 4.48Å; Y235-Q239 WeakPolarHBondContact O-CB 3.38Å; Y235-Q239 PolarHBondContact O-N 3.01Å; Y235-Q239 PolarHBondContact OH-NE2 3.25Å; Q237-Q239 PolarHBondContact O-N 3.22Å; Q239-G243 PolarHBondContact O-N 3.41Å; Q239-L261 VanDerWaalsContact OE1-CD1 3.3Å; Q239-D262 PolarHBondContact NE2-OD1 3.07Å
240Q91.6Very high89.4Confident123 Ų12337.9 Ų37.958%0.57524%0.238SC*.Hα-helixtrans-71.7-42.3170.2-74167.770.900112.1S236 Q237 L238 G243 A244S236-Q240 VanDerWaalsContact O-CG 3.27Å; S236-Q240 WeakPolarHBondContact O-CG 3.47Å; S236-Q240 PolarHBondContact O-N 3.1Å; S236-Q240 VanDerWaalsContact O-N 3.13Å; S236-Q240 PolarHBondContact O-NE2 3.19Å; S236-Q240 PolarHBondContact OG-NE2 2.92Å; Q237-Q240 WeakPolarHBondContact O-CB 3.34Å; Q237-Q240 PolarHBondContact O-N 2.99Å; Q237-Q240 VanDerWaalsContact O-N 3.11Å; L238-Q240 VanDerWaalsContact C-N 3.26Å; L238-Q240 PolarHBondContact O-N 3.44Å; Q240-G243 CarbonylContact O-C 3.48Å; Q240-G243 WeakPolarHBondContact O-CA 3.35Å; Q240-G243 PolarHBondContact O-N 2.83Å; Q240-A244 WeakPolarHBondContact O-CB 3.41Å; Q240-A244 PolarHBondContact O-N 3.26Å
241E91.6Very high88.9Confident14 Ų1441.7 Ų41.77%0.06526%0.262CS..Hα-helixtrans-63.2-47.3177.2-68.7-62.1123.400112V141 I144 H145 R148 L183 Q237 L238 G243 A244 A245V141-E241 HydrophobicContact CG1-CG 4.42Å; I144-E241 HydrophobicContact CG2-CB 3.85Å; I144-E241 HydrophobicContact CG2-CG 3.93Å; H145-E241 WeakPolarHBondContact CA-OE2 3.45Å; H145-E241 IonicContact CE1-OE1 3.2Å; H145-E241 IonicContact CG-OE1 2.73Å; H145-E241 IonicContact ND1-OE1 2.72Å; H145-E241 PolarHBondContact ND1-OE1 3.02Å; H145-E241 IonicContact ND1-OE2 4Å; R148-E241 IonicContact CZ-OE1 3.95Å; R148-E241 IonicContact CZ-OE2 3.18Å; R148-E241 IonicContact NE-OE2 2.86Å; R148-E241 IonicContact NH1-OE1 2.75Å; R148-E241 PolarHBondContact NH1-OE1 3.46Å; R148-E241 IonicContact NH1-OE2 3.44Å; R148-E241 PolarHBondContact NH1-OE2 3.41Å; R148-E241 IonicContact NH2-OE1 3.72Å; R148-E241 PolarHBondContact NH2-OE1 2.93Å; R148-E241 IonicContact NH2-OE2 3.27Å; R148-E241 PolarHBondContact NH2-OE2 3.23Å; L183-E241 HydrophobicContact CD2-CB 4.48Å; Q237-E241 WeakPolarHBondContact O-CG 3.37Å; Q237-E241 PolarHBondContact O-N 2.93Å; L238-E241 PolarHBondContact O-N 3.13Å; E241-G243 VanDerWaalsContact C-N 3.25Å; E241-G243 PolarHBondContact O-N 3.28Å; E241-A244 PolarHBondContact O-N 3.12Å; E241-A245 WeakPolarHBondContact O-CB 3.31Å; E241-A245 PolarHBondContact O-N 3.21Å
242V90.7Very high88.5Confident0 Ų048.7 Ų48.70%029%0.292CS..Hα-helixtrans-65.5-29.2172.8178.20000112L183 L238 R254 L257 I258 L261L183-V242 HydrophobicContact CD1-CG2 4.31Å; L183-V242 HydrophobicContact CD2-CG2 3.77Å; L238-V242 WeakPolarHBondContact O-CG2 3.48Å; L238-V242 PolarHBondContact O-N 3.44Å; V242-R254 HydrophobicContact CG1-CG 3.93Å; V242-R254 PolarHBondContact O-NE 2.87Å; V242-L257 HydrophobicContact CG1-CB 4.07Å; V242-L257 HydrophobicContact CG1-CD1 4.49Å; V242-L257 HydrophobicContact CG2-CB 4.31Å; V242-L257 HydrophobicContact CG2-CD1 4.22Å; V242-I258 HydrophobicContact CG1-CD1 4.37Å; V242-I258 HydrophobicContact CG1-CG1 3.85Å; V242-L261 HydrophobicContact CG2-CD1 4.09Å
243G88.8Confident88.3Confident36 Ų3649.8 Ų49.837%0.37130%0.298SS..Hα-helixtrans-64-49.817000000112.1Q239 Q240 E241 R254Q239-G243 PolarHBondContact O-N 3.41Å; Q240-G243 CarbonylContact O-C 3.48Å; Q240-G243 WeakPolarHBondContact O-CA 3.35Å; Q240-G243 PolarHBondContact O-N 2.83Å; E241-G243 VanDerWaalsContact C-N 3.25Å; E241-G243 PolarHBondContact O-N 3.28Å; G243-R254 PolarHBondContact O-NH2 2.84Å
244A87.9Confident88Confident63 Ų6350.9 Ų50.952%0.52130%0.299SS..Hα-helixtrans-73.8-41.6-175.600000113.6Q240 E241 G246Q240-A244 WeakPolarHBondContact O-CB 3.41Å; Q240-A244 PolarHBondContact O-N 3.26Å; E241-A244 PolarHBondContact O-N 3.12Å; A244-G246 PolarHBondContact O-N 3.33Å
245A83.9Confident87.8Confident1 Ų153.8 Ų53.81%0.00832%0.323CS..THydrogen-bonded Turntrans-7023.4178.700000114R148 L179 E241 G247 E248 L249R148-A245 HydrophobicContact CG-CB 4.42Å; L179-A245 HydrophobicContact CD2-CB 3.99Å; E241-A245 WeakPolarHBondContact O-CB 3.31Å; E241-A245 PolarHBondContact O-N 3.21Å; A245-G247 VanDerWaalsContact C-N 3.27Å; A245-G247 PolarHBondContact O-N 3.45Å; A245-E248 PolarHBondContact O-N 3.12Å; A245-E248 VanDerWaalsContact O-N 3.09Å; A245-L249 HydrophobicContact CB-CD1 3.78Å; A245-L249 HydrophobicContact CB-CG 3.97Å; A245-L249 WeakPolarHBondContact O-CG 3.47Å; A245-L249 PolarHBondContact O-N 3.02Å
246G78.5Confident87.7Confident28 Ų2856.1 Ų56.129%0.28934%0.343SS..THydrogen-bonded Turntrans-69.8-12.8-170.500000116.5A244A244-G246 PolarHBondContact O-N 3.33Å
247G77Confident87.7Confident82 Ų8253.8 Ų53.885%0.84533%0.326SS*.THydrogen-bonded Turntrans-100.5-12.9170.200000114.4A245A245-G247 VanDerWaalsContact C-N 3.27Å; A245-G247 PolarHBondContact O-N 3.45Å
248E78.5Confident87.5Confident40 Ų4052.3 Ų52.319%0.18732%0.321CS..THydrogen-bonded Turntrans-99.7-24.6-174.3-66.4171.9-167.300112.8L151 S176 L179 A245L151-E248 WeakPolarHBondContact CD1-OE2 3.41Å; S176-E248 WeakPolarHBondContact CB-O 3.43Å; S176-E248 PolarHBondContact OG-O 2.81Å; L179-E248 WeakPolarHBondContact CD2-OE2 3.46Å; A245-E248 PolarHBondContact O-N 3.12Å; A245-E248 VanDerWaalsContact O-N 3.09Å
249L82.6Confident87.4Confident11 Ų1154.3 Ų54.36%0.05834%0.341CS..SBendtrans-98143.4-178.1-60.9173.7000112.1A180 L183 A245 R254 L257A180-L249 HydrophobicContact CB-CD2 3.69Å; L183-L249 HydrophobicContact CD1-CD1 3.81Å; L183-L249 HydrophobicContact CD1-CD2 4.06Å; A245-L249 HydrophobicContact CB-CD1 3.78Å; A245-L249 HydrophobicContact CB-CG 3.97Å; A245-L249 WeakPolarHBondContact O-CG 3.47Å; A245-L249 PolarHBondContact O-N 3.02Å; L249-R254 HydrophobicContact CB-CB 4.3Å; L249-R254 HydrophobicContact CD1-CG 4.48Å; L249-L257 HydrophobicContact CD1-CD1 4.5Å
250E83.9Confident87.5Confident95 Ų9555.3 Ų55.344%0.44434%0.343SS..  trans-58.2134.7168.8-169.1-167.1174.400110.2K252 T253 R254E250-K252 HydrophobicContact CG-CB 4.43Å; E250-K252 PolarHBondContact O-N 3.29Å; E250-K252 VanDerWaalsContact O-N 3.09Å; E250-K252 WeakPolarHBondContact OE1-CD 3.36Å; E250-K252 WeakPolarHBondContact OE1-CE 3.42Å; E250-K252 WeakPolarHBondContact OE1-CG 3.32Å; E250-K252 IonicContact OE1-NZ 3.65Å; E250-K252 PolarHBondContact OE1-NZ 3.03Å; E250-T253 PolarHBondContact O-N 3.46Å; E250-R254 PolarHBondContact O-N 3.38Å
251P86.1Confident87.5Confident107 Ų10749.4 Ų49.470%0.69532%0.316SS*.Hα-helixtrans-50.9-34.5176.8-31.136.3000114.9A255P251-A255 VanDerWaalsContact O-CB 3.3Å; P251-A255 WeakPolarHBondContact O-CB 3.25Å; P251-A255 PolarHBondContact O-N 2.89Å
252K88.1Confident87.4Confident150 Ų15052.3 Ų52.365%0.65233%0.332SS*.Hα-helixtrans-66.3-50.5175.4-58.6-166.9-157.7100.90111.9E250 R254 A255 S256E250-K252 HydrophobicContact CG-CB 4.43Å; E250-K252 PolarHBondContact O-N 3.29Å; E250-K252 VanDerWaalsContact O-N 3.09Å; E250-K252 WeakPolarHBondContact OE1-CD 3.36Å; E250-K252 WeakPolarHBondContact OE1-CE 3.42Å; E250-K252 WeakPolarHBondContact OE1-CG 3.32Å; E250-K252 IonicContact OE1-NZ 3.65Å; E250-K252 PolarHBondContact OE1-NZ 3.03Å; K252-R254 VanDerWaalsContact C-N 3.33Å; K252-R254 PolarHBondContact O-N 3.2Å; K252-A255 PolarHBondContact O-N 3.36Å; K252-S256 WeakPolarHBondContact O-CB 3.39Å; K252-S256 PolarHBondContact O-N 3.44Å
253T87.9Confident87.5Confident29 Ų2956.1 Ų56.118%0.17835%0.349CS..Hα-helixtrans-60.3-44178.2-58.50000111.1A180 E250 S256 L257A180-T253 HydrophobicContact CB-CG2 4.35Å; E250-T253 PolarHBondContact O-N 3.46Å; T253-S256 PolarHBondContact O-N 3.18Å; T253-L257 HydrophobicContact CG2-CD1 4.14Å; T253-L257 WeakPolarHBondContact O-CB 3.41Å; T253-L257 WeakPolarHBondContact O-CG 3.49Å; T253-L257 PolarHBondContact O-N 3.14Å
254R88.7Confident87.7Confident80 Ų8054.6 Ų54.630%0.30233%0.333SS..Hα-helixtrans-61.4-45.3175.7-167.6179.9-178-150.20112.2V242 G243 L249 E250 K252 L257 I258V242-R254 HydrophobicContact CG1-CG 3.93Å; V242-R254 PolarHBondContact O-NE 2.87Å; G243-R254 PolarHBondContact O-NH2 2.84Å; L249-R254 HydrophobicContact CB-CB 4.3Å; L249-R254 HydrophobicContact CD1-CG 4.48Å; E250-R254 PolarHBondContact O-N 3.38Å; K252-R254 VanDerWaalsContact C-N 3.33Å; K252-R254 PolarHBondContact O-N 3.2Å; R254-L257 PolarHBondContact O-N 3.07Å; R254-I258 HydrophobicContact CG-CD1 4.16Å; R254-I258 VanDerWaalsContact O-CG1 3.3Å; R254-I258 WeakPolarHBondContact O-CG1 3.16Å; R254-I258 PolarHBondContact O-N 3.32Å
255A90.1Very high87.9Confident63 Ų6352.5 Ų52.552%0.52131%0.313SS..Hα-helixtrans-64.9-37.8176.200000112.7P251 K252 G259P251-A255 VanDerWaalsContact O-CB 3.3Å; P251-A255 WeakPolarHBondContact O-CB 3.25Å; P251-A255 PolarHBondContact O-N 2.89Å; K252-A255 PolarHBondContact O-N 3.36Å; A255-G259 PolarHBondContact O-N 2.8Å
256S92.9Very high88.2Confident74 Ų7458.3 Ų58.352%0.51734%0.335SS..Hα-helixtrans-65.3-44.3175.5-177.40000112.2K252 T253 G259 R260K252-S256 WeakPolarHBondContact O-CB 3.39Å; K252-S256 PolarHBondContact O-N 3.44Å; T253-S256 PolarHBondContact O-N 3.18Å; S256-G259 PolarHBondContact O-N 3Å; S256-R260 WeakPolarHBondContact O-CG 3.44Å; S256-R260 PolarHBondContact O-N 3.31Å
257L92.5Very high88.9Confident2 Ų258.2 Ų58.21%0.0133%0.328CS..Hα-helixtrans-60.7-49.1175-73.9168.4000111.5L183 Q184 V242 L249 T253 R254 G259 R260 L261L183-L257 HydrophobicContact CB-CD1 3.93Å; L183-L257 HydrophobicContact CB-CD2 4.39Å; L183-L257 HydrophobicContact CD1-CD1 4.38Å; Q184-L257 HydrophobicContact CG-CD2 3.94Å; V242-L257 HydrophobicContact CG1-CB 4.07Å; V242-L257 HydrophobicContact CG1-CD1 4.49Å; V242-L257 HydrophobicContact CG2-CB 4.31Å; V242-L257 HydrophobicContact CG2-CD1 4.22Å; L249-L257 HydrophobicContact CD1-CD1 4.5Å; T253-L257 HydrophobicContact CG2-CD1 4.14Å; T253-L257 WeakPolarHBondContact O-CB 3.41Å; T253-L257 WeakPolarHBondContact O-CG 3.49Å; T253-L257 PolarHBondContact O-N 3.14Å; R254-L257 PolarHBondContact O-N 3.07Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 3.38Å; L257-R260 PolarHBondContact O-N 3.43Å; L257-L261 WeakPolarHBondContact O-CB 3.15Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.11Å; L257-L261 PolarHBondContact O-N 2.62Å
258I90.9Very high89.7Confident56 Ų5654.5 Ų54.529%0.28729%0.289SS..Hα-helixtrans-58-45.7176.8-68.5166.4000110.5V242 R254 R260 L261 D262V242-I258 HydrophobicContact CG1-CD1 4.37Å; V242-I258 HydrophobicContact CG1-CG1 3.85Å; R254-I258 HydrophobicContact CG-CD1 4.16Å; R254-I258 VanDerWaalsContact O-CG1 3.3Å; R254-I258 WeakPolarHBondContact O-CG1 3.16Å; R254-I258 PolarHBondContact O-N 3.32Å; I258-R260 PolarHBondContact O-N 2.87Å; I258-L261 PolarHBondContact O-N 2.93Å; I258-D262 WeakPolarHBondContact O-CB 3.29Å; I258-D262 PolarHBondContact O-N 3.37Å
259G91.2Very high90.3Very high42 Ų4252.6 Ų52.643%0.43328%0.28SS..Hα-helixtrans-62.1-39.617800000114.1A255 S256 L257 E263A255-G259 PolarHBondContact O-N 2.8Å; S256-G259 PolarHBondContact O-N 3Å; L257-G259 VanDerWaalsContact C-N 3.33Å; L257-G259 PolarHBondContact O-N 3.38Å; G259-E263 VanDerWaalsContact O-CB 3.31Å; G259-E263 WeakPolarHBondContact O-CB 3.44Å; G259-E263 PolarHBondContact O-N 2.95Å; G259-E263 VanDerWaalsContact O-N 3.1Å
260R94.4Very high90.8Very high65 Ų6554.4 Ų54.425%0.24529%0.292CS..Hα-helixtrans-66.1-44.4173.7-7417568.2-163.13.7111.9Q184 T187 E191 S256 L257 I258 E263 V264Q184-R260 PolarHBondContact O-NH1 2.85Å; T187-R260 HydrophobicContact CG2-CB 3.83Å; E191-R260 IonicContact OE1-CZ 3.66Å; E191-R260 IonicContact OE1-NE 3.17Å; E191-R260 PolarHBondContact OE1-NE 3.12Å; E191-R260 IonicContact OE1-NH2 3.9Å; E191-R260 PolarHBondContact OE1-NH2 3.2Å; E191-R260 IonicContact OE2-CZ 3.76Å; E191-R260 IonicContact OE2-NE 2.76Å; E191-R260 IonicContact OE2-NH2 3.43Å; E191-R260 PolarHBondContact OE2-NH2 2.68Å; S256-R260 WeakPolarHBondContact O-CG 3.44Å; S256-R260 PolarHBondContact O-N 3.31Å; L257-R260 PolarHBondContact O-N 3.43Å; I258-R260 PolarHBondContact O-N 2.87Å; R260-E263 PolarHBondContact O-N 3.14Å; R260-V264 WeakPolarHBondContact O-CG2 3.38Å; R260-V264 PolarHBondContact O-N 3.44Å
261L92.1Very high91.3Very high0 Ų051.4 Ų51.40%028%0.281CS..Hα-helixtrans-64.9-46.2179.4-72.5171.1000111.3T187 L190 Y235 L238 Q239 V242 L257 I258 E263 V264 L265T187-L261 HydrophobicContact CG2-CD2 4.05Å; T187-L261 HydrophobicContact CG2-CG 4.2Å; L190-L261 HydrophobicContact CD2-CD2 3.79Å; Y235-L261 HydrophobicContact CD2-CB 4.21Å; Y235-L261 HydrophobicContact CD2-CD2 4.2Å; Y235-L261 HydrophobicContact CE2-CB 3.81Å; Y235-L261 VanDerWaalsContact CE2-O 3.25Å; Y235-L261 WeakPolarHBondContact CE2-O 3.29Å; L238-L261 HydrophobicContact CB-CD1 4.35Å; L238-L261 HydrophobicContact CB-CD2 4.19Å; L238-L261 HydrophobicContact CD1-CD2 4.35Å; Q239-L261 VanDerWaalsContact OE1-CD1 3.3Å; V242-L261 HydrophobicContact CG2-CD1 4.09Å; L257-L261 WeakPolarHBondContact O-CB 3.15Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.11Å; L257-L261 PolarHBondContact O-N 2.62Å; I258-L261 PolarHBondContact O-N 2.93Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.16Å; L261-V264 WeakPolarHBondContact O-CB 3.47Å; L261-V264 PolarHBondContact O-N 3.22Å; L261-L265 PolarHBondContact O-N 2.92Å
262D89.7Confident91.7Very high75 Ų7546.3 Ų46.340%0.40125%0.248SC..Hα-helixtrans-61.2-38.8175.4-74.9-15.3000111.6Q239 I258 L265 R266Q239-D262 PolarHBondContact NE2-OD1 3.07Å; I258-D262 WeakPolarHBondContact O-CB 3.29Å; I258-D262 PolarHBondContact O-N 3.37Å; D262-L265 PolarHBondContact O-N 3.25Å; D262-R266 VanDerWaalsContact O-CB 3.22Å; D262-R266 WeakPolarHBondContact O-CB 3.34Å; D262-R266 PolarHBondContact O-N 3.47Å
263E91.4Very high92.1Very high79 Ų7939.5 Ų39.537%0.36922%0.219SC..Hα-helixtrans-68-38.6175.5175.256.2-160.100112.7G259 R260 L261 R266 T267G259-E263 VanDerWaalsContact O-CB 3.31Å; G259-E263 WeakPolarHBondContact O-CB 3.44Å; G259-E263 PolarHBondContact O-N 2.95Å; G259-E263 VanDerWaalsContact O-N 3.1Å; R260-E263 PolarHBondContact O-N 3.14Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.16Å; E263-R266 IonicContact OE1-CZ 2.69Å; E263-R266 IonicContact OE1-NE 3.18Å; E263-R266 IonicContact OE1-NH2 2.64Å; E263-R266 PolarHBondContact OE1-NH2 3.47Å; E263-R266 IonicContact OE2-CZ 3.46Å; E263-R266 IonicContact OE2-NE 2.66Å; E263-R266 PolarHBondContact OE2-NE 3.42Å; E263-R266 IonicContact OE2-NH2 2.77Å; E263-R266 PolarHBondContact OE2-NH2 3.09Å; E263-T267 WeakPolarHBondContact O-CB 3.46Å; E263-T267 PolarHBondContact O-N 2.69Å; E263-T267 PolarHBondContact O-OG1 2.73Å; E263-T267 PolarHBondContact OE1-OG1 2.92Å
264V93.1Very high92.6Very high5 Ų538.3 Ų38.33%0.0321%0.211CC..Hα-helixtrans-58.5-51.7170.3159.60000110.7L190 E191 K194 R260 L261 T267 L268L190-V264 HydrophobicContact CD2-CG1 3.86Å; L190-V264 HydrophobicContact CG-CG1 4.08Å; E191-V264 HydrophobicContact CB-CG2 4.48Å; E191-V264 HydrophobicContact CG-CG2 3.47Å; E191-V264 VanDerWaalsContact CG-CG2 3.47Å; K194-V264 HydrophobicContact CD-CB 4.28Å; K194-V264 HydrophobicContact CD-CG1 4.13Å; K194-V264 HydrophobicContact CD-CG2 4.19Å; R260-V264 WeakPolarHBondContact O-CG2 3.38Å; R260-V264 PolarHBondContact O-N 3.44Å; L261-V264 WeakPolarHBondContact O-CB 3.47Å; L261-V264 PolarHBondContact O-N 3.22Å; V264-T267 PolarHBondContact O-N 3.46Å; V264-L268 WeakPolarHBondContact O-CB 3.44Å; V264-L268 PolarHBondContact O-N 2.99Å
265L92Very high93Very high19 Ų1934.7 Ų34.710%0.09920%0.198CC..Hα-helixtrans-60.2-48.9178.3173.964.9000111.5Y235 L261 D262 T267 L268 V269 F301 L394Y235-L265 HydrophobicContact CD1-CD1 4.35Å; Y235-L265 HydrophobicContact CD2-CB 4.21Å; Y235-L265 HydrophobicContact CE1-CB 4.35Å; Y235-L265 HydrophobicContact CE1-CD1 4.23Å; Y235-L265 HydrophobicContact CE1-CD2 3.74Å; Y235-L265 HydrophobicContact CE1-CG 4.33Å; Y235-L265 HydrophobicContact CE2-CB 3.8Å; Y235-L265 HydrophobicContact CE2-CD2 4.33Å; Y235-L265 WeakPolarHBondContact OH-CD2 3.37Å; L261-L265 PolarHBondContact O-N 2.92Å; D262-L265 PolarHBondContact O-N 3.25Å; L265-T267 PolarHBondContact O-N 3.39Å; L265-L268 PolarHBondContact O-N 3.27Å; L265-V269 HydrophobicContact CD1-CG2 3.75Å; L265-V269 HydrophobicContact CG-CG2 4.29Å; L265-V269 WeakPolarHBondContact O-CB 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.45Å; L265-F301 HydrophobicContact CD1-CE2 4.21Å; L265-F301 HydrophobicContact CD1-CZ 3.71Å; L265-L394 HydrophobicContact CD1-CD2 4.49Å; L265-L394 HydrophobicContact CD2-CD2 3.86Å; L265-L394 HydrophobicContact CG-CD2 4.22Å
266R90.1Very high93.3Very high123 Ų12334.6 Ų34.646%0.46419%0.187SC..Hα-helixtrans-56.8-49179.5-172.8-169.771.1792.6111.4D262 E263 L268 T270D262-R266 VanDerWaalsContact O-CB 3.22Å; D262-R266 WeakPolarHBondContact O-CB 3.34Å; D262-R266 PolarHBondContact O-N 3.47Å; E263-R266 IonicContact OE1-CZ 2.69Å; E263-R266 IonicContact OE1-NE 3.18Å; E263-R266 IonicContact OE1-NH2 2.64Å; E263-R266 PolarHBondContact OE1-NH2 3.47Å; E263-R266 IonicContact OE2-CZ 3.46Å; E263-R266 IonicContact OE2-NE 2.66Å; E263-R266 PolarHBondContact OE2-NE 3.42Å; E263-R266 IonicContact OE2-NH2 2.77Å; E263-R266 PolarHBondContact OE2-NH2 3.09Å; R266-L268 VanDerWaalsContact C-N 3.35Å; R266-L268 PolarHBondContact O-N 3.23Å; R266-T270 PolarHBondContact O-N 3.26Å; R266-T270 VanDerWaalsContact O-N 3.15Å; R266-T270 PolarHBondContact O-OG1 3.46Å
267T92.8Very high93.4Very high25 Ų2535.7 Ų35.715%0.15318%0.182CC..Hα-helixtrans-60.5-44.4177.8-500000111.4K194 L198 E263 V264 L265 T270 S271K194-T267 HydrophobicContact CD-CG2 4.19Å; K194-T267 PolarHBondContact NZ-OG1 2.89Å; L198-T267 HydrophobicContact CD1-CG2 3.71Å; E263-T267 WeakPolarHBondContact O-CB 3.46Å; E263-T267 PolarHBondContact O-N 2.69Å; E263-T267 PolarHBondContact O-OG1 2.73Å; E263-T267 PolarHBondContact OE1-OG1 2.92Å; V264-T267 PolarHBondContact O-N 3.46Å; L265-T267 PolarHBondContact O-N 3.39Å; T267-T270 PolarHBondContact O-OG1 2.86Å; T267-S271 VanDerWaalsContact O-CB 3.28Å; T267-S271 WeakPolarHBondContact O-CB 3.44Å; T267-S271 PolarHBondContact O-N 2.72Å; T267-S271 VanDerWaalsContact O-N 3.17Å; T267-S271 PolarHBondContact O-OG 3.26Å
268L93.9Very high93.6Very high4 Ų437.5 Ų37.52%0.02119%0.191CC..Hα-helixtrans-69.2-43.2-176.4-172.465.3000111V197 L231 V232 V264 L265 R266 S271 C272 L297V197-L268 HydrophobicContact CG1-CD1 4.31Å; L231-L268 HydrophobicContact CB-CD2 4.04Å; V232-L268 HydrophobicContact CG2-CD2 3.85Å; V264-L268 WeakPolarHBondContact O-CB 3.44Å; V264-L268 PolarHBondContact O-N 2.99Å; L265-L268 PolarHBondContact O-N 3.27Å; R266-L268 VanDerWaalsContact C-N 3.35Å; R266-L268 PolarHBondContact O-N 3.23Å; L268-S271 PolarHBondContact O-N 2.88Å; L268-C272 VanDerWaalsContact O-CB 3.3Å; L268-C272 WeakPolarHBondContact O-CB 3.27Å; L268-C272 PolarHBondContact O-N 2.72Å; L268-C272 PolarHBondContact O-SG 3.17Å; L268-L297 HydrophobicContact CD2-CD1 4.34Å; L268-L297 HydrophobicContact CG-CD1 4.07Å
269V92.4Very high93.9Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-61.1-49.6177.8165.80000112L265 S271 C272 F295 L297 F301 F392 L394 I401 L403L265-V269 HydrophobicContact CD1-CG2 3.75Å; L265-V269 HydrophobicContact CG-CG2 4.29Å; L265-V269 WeakPolarHBondContact O-CB 3.27Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.45Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 3.03Å; V269-C272 PolarHBondContact O-N 3.21Å; V269-F295 HydrophobicContact CG1-CE2 4.28Å; V269-F295 HydrophobicContact CG1-CZ 4.11Å; V269-L297 HydrophobicContact CG2-CD1 4.17Å; V269-F301 HydrophobicContact CG2-CD2 4.23Å; V269-F301 HydrophobicContact CG2-CE2 3.66Å; V269-F301 HydrophobicContact CG2-CZ 4.42Å; V269-F392 HydrophobicContact CG1-CE1 4.4Å; V269-F392 HydrophobicContact CG1-CZ 4.05Å; V269-L394 HydrophobicContact CG2-CD2 4.34Å; V269-I401 HydrophobicContact CG1-CD1 4.07Å; V269-I401 HydrophobicContact CG1-CG2 4.07Å; V269-L403 HydrophobicContact CG1-CD2 3.95Å
270T92Very high94.2Very high49 Ų4936 Ų3630%0.30118%0.177SC..Hα-helixtrans-65.3-36.1179.254.90000112.1R266 T267 C272R266-T270 PolarHBondContact O-N 3.26Å; R266-T270 VanDerWaalsContact O-N 3.15Å; R266-T270 PolarHBondContact O-OG1 3.46Å; T267-T270 PolarHBondContact O-OG1 2.86Å; T270-C272 VanDerWaalsContact C-N 3.3Å; T270-C272 PolarHBondContact O-N 3.48Å
271S94.6Very high94.3Very high33 Ų3334.1 Ų34.123%0.23117%0.171CC..Hα-helixtrans-74.3-18.5178.7-55.70000114.1L198 T267 L268 V269 F273L198-S271 VanDerWaalsContact CD2-OG 3.27Å; L198-S271 WeakPolarHBondContact CD2-OG 3.39Å; T267-S271 VanDerWaalsContact O-CB 3.28Å; T267-S271 WeakPolarHBondContact O-CB 3.44Å; T267-S271 PolarHBondContact O-N 2.72Å; T267-S271 VanDerWaalsContact O-N 3.17Å; T267-S271 PolarHBondContact O-OG 3.26Å; L268-S271 PolarHBondContact O-N 2.88Å; V269-S271 VanDerWaalsContact C-N 3.31Å; V269-S271 PolarHBondContact O-N 3.03Å; S271-F273 VanDerWaalsContact C-N 3.3Å; S271-F273 PolarHBondContact O-N 2.98Å
272C96Very high94.6Very high0 Ų035.7 Ų35.70%018%0.18CC..THydrogen-bonded Turntrans-84.25.8-179.8-78.90000114.4C228 L268 V269 T270 L274 F295 L296 L297C228-C272 PolarHBondContact SG-SG 2.72Å; L268-C272 VanDerWaalsContact O-CB 3.3Å; L268-C272 WeakPolarHBondContact O-CB 3.27Å; L268-C272 PolarHBondContact O-N 2.72Å; L268-C272 PolarHBondContact O-SG 3.17Å; V269-C272 PolarHBondContact O-N 3.21Å; T270-C272 VanDerWaalsContact C-N 3.3Å; T270-C272 PolarHBondContact O-N 3.48Å; C272-L274 WeakPolarHBondContact O-CD1 3.3Å; C272-F295 HydrophobicContact CB-CD2 4.24Å; C272-F295 HydrophobicContact CB-CE2 4.08Å; C272-F295 CarbonylContact O-C 3.55Å; C272-F295 WeakPolarHBondContact O-CA 3.28Å; C272-F295 WeakPolarHBondContact O-CD2 3.4Å; C272-L296 HydrophobicContact CB-CB 4Å; C272-L296 HydrophobicContact CB-CG 4.45Å; C272-L296 PolarHBondContact O-N 3.07Å; C272-L297 HydrophobicContact CB-CD1 3.92Å; C272-L297 HydrophobicContact CB-CG 4.02Å; C272-L297 VanDerWaalsContact SG-CD1 3.57Å
273F96.4Very high94.9Very high7 Ų732.3 Ų32.33%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-101.4111.9172.9-168.9-126.3000109.6S271 V293 F295 V311 F388 A390 L403 A405S271-F273 VanDerWaalsContact C-N 3.3Å; S271-F273 PolarHBondContact O-N 2.98Å; F273-V293 HydrophobicContact CE2-CB 3.95Å; F273-V293 HydrophobicContact CE2-CG2 3.73Å; F273-V293 HydrophobicContact CZ-CB 4.08Å; F273-V293 HydrophobicContact CZ-CG1 4.34Å; F273-V293 HydrophobicContact CZ-CG2 3.78Å; F273-F295 HydrophobicContact CB-CD2 4.39Å; F273-F295 HydrophobicContact CD2-CB 4.03Å; F273-V311 HydrophobicContact CZ-CG1 3.98Å; F273-V311 HydrophobicContact CZ-CG2 4.4Å; F273-F388 HydrophobicContact CE1-CB 4.15Å; F273-F388 HydrophobicContact CZ-CB 4.39Å; F273-A390 HydrophobicContact CZ-CB 4.32Å; F273-L403 HydrophobicContact CB-CB 4.17Å; F273-L403 HydrophobicContact CB-CD1 4.23Å; F273-L403 HydrophobicContact CB-CD2 4.32Å; F273-L403 HydrophobicContact CB-CG 4.48Å; F273-L403 HydrophobicContact CD1-CB 3.68Å; F273-L403 HydrophobicContact CD2-CB 4.45Å; F273-L403 HydrophobicContact CD2-CD1 4.03Å; F273-L403 HydrophobicContact CE1-CB 4.1Å; F273-L403 HydrophobicContact CG-CB 3.87Å; F273-L403 HydrophobicContact CG-CD1 4.1Å; F273-L403 HydrophobicContact CG-CG 4.49Å; F273-A405 HydrophobicContact CD1-CB 3.48Å; F273-A405 VanDerWaalsContact CD1-CB 3.48Å; F273-A405 HydrophobicContact CE1-CB 3.86Å; F273-A405 HydrophobicContact CG-CB 4.27Å
274L97.1Very high95Very high3 Ų332.9 Ų32.92%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-127.3150.7-172.3-55.397.1000111.8I201 W204 L221 C272 E276 V293 R294 L296I201-L274 HydrophobicContact CG2-CD2 3.98Å; W204-L274 HydrophobicContact CE3-CD2 3.75Å; W204-L274 HydrophobicContact CZ3-CB 4.33Å; W204-L274 HydrophobicContact CZ3-CD2 3.69Å; L221-L274 HydrophobicContact CD2-CD2 4.37Å; C272-L274 WeakPolarHBondContact O-CD1 3.3Å; L274-E276 PolarHBondContact O-N 3.16Å; L274-V293 CarbonylContact O-C 3.5Å; L274-V293 WeakPolarHBondContact O-CA 3.22Å; L274-V293 WeakPolarHBondContact O-CB 3.43Å; L274-R294 PolarHBondContact N-O 3.21Å; L274-R294 PolarHBondContact O-N 3.12Å; L274-L296 HydrophobicContact CD1-CD1 3.67Å; L274-L296 HydrophobicContact CD1-CD2 4.21Å; L274-L296 HydrophobicContact CD1-CG 3.65Å
275V97.2Very high95Very high5 Ų533.6 Ų33.63%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-81.995167-174.40000108.3Q208 Q278 G292 V293 F388 A405Q208-V275 PolarHBondContact NE2-O 2.99Å; Q208-V275 PolarHBondContact OE1-O 3.44Å; V275-Q278 HydrophobicContact CG1-CG 4.33Å; V275-G292 CarbonylContact C-O 3.58Å; V275-V293 HydrophobicContact CG2-CG1 4.12Å; V275-F388 HydrophobicContact CG1-CE2 4.19Å; V275-F388 HydrophobicContact CG2-CD2 3.67Å; V275-F388 HydrophobicContact CG2-CE2 3.81Å; V275-A405 HydrophobicContact CG2-CB 4.16Å
276E95.8Very high95Very high61 Ų6140 Ų4029%0.28520%0.198SC..EExtended strand (participates in β ladder)trans-70.2-43.5179.2-176170.8-125.200111.3Q208 L221 L274 G292 R294Q208-E276 PolarHBondContact NE2-O 2.99Å; L221-E276 HydrophobicContact CD1-CB 4.05Å; L221-E276 HydrophobicContact CD1-CG 3.93Å; L274-E276 PolarHBondContact O-N 3.16Å; E276-G292 PolarHBondContact N-O 3.15Å; E276-R294 HydrophobicContact CB-CB 4.04Å; E276-R294 WeakPolarHBondContact OE1-CD 3.33Å; E276-R294 IonicContact OE1-CZ 3.93Å; E276-R294 IonicContact OE1-NE 2.92Å; E276-R294 IonicContact OE1-NH1 2.84Å; E276-R294 PolarHBondContact OE1-NH1 2.82Å
277K95.9Very high95.1Very high96 Ų9637.2 Ų37.242%0.41719%0.194SC..EExtended strand (participates in β ladder)trans-113.3104173.8-177.3174.9-173.1173.70109.9A291 G292 L359K277-A291 CarbonylContact O-C 3.56Å; K277-A291 VanDerWaalsContact O-CA 3.27Å; K277-A291 WeakPolarHBondContact O-CA 3.39Å; K277-G292 PolarHBondContact N-O 3.5Å; K277-G292 PolarHBondContact O-N 3.16Å; K277-L359 HydrophobicContact CD-CD1 4.26Å
278Q97.2Very high95.3Very high41 Ų4143 Ų4319%0.19222%0.217CC..PPolyproline II helixtrans-63.8148.5177.1-65.8-68.4-13.700111.9Q208 V275 L408Q208-Q278 HydrophobicContact CG-CG 4.41Å; V275-Q278 HydrophobicContact CG1-CG 4.33Å; Q278-L408 HydrophobicContact CG-CD1 4Å; Q278-L408 HydrophobicContact CG-CG 4.19Å
279P97.1Very high95.4Very high6 Ų643.3 Ų43.34%0.03922%0.218CC..PPolyproline II helixtrans-67.8162.2166.332-35.2000111Q281 F289 A291 V386 L410P279-Q281 PolarHBondContact O-N 3.2Å; P279-F289 HydrophobicContact CB-CD2 3.88Å; P279-F289 HydrophobicContact CB-CE2 3.9Å; P279-A291 HydrophobicContact CB-CB 4.34Å; P279-V386 HydrophobicContact CG-CG2 4.24Å; P279-L410 HydrophobicContact CB-CD2 4.3Å; P279-L410 HydrophobicContact CG-CD2 3.8Å
280P96.5Very high95.6Very high61 Ų6146.9 Ų46.940%0.39624%0.235SC..PPolyproline II helixtrans-58120.3171.6-22.333.8000110.9V282 F289P280-V282 PolarHBondContact O-N 3.07Å; P280-F289 HydrophobicContact CG-CB 4.02Å
281Q97.3Very high95.9Very high24 Ų2444.6 Ų44.611%0.11222%0.221CC..SBendtrans-69.6-17.2-178-69.7-172.3-90.100113.6P279 L408 P409 L410 V411 I426 N430P279-Q281 PolarHBondContact O-N 3.2Å; Q281-L408 HydrophobicContact CG-CB 4.41Å; Q281-P409 PolarHBondContact NE2-O 3.36Å; Q281-L410 CarbonylContact O-C 3.51Å; Q281-L410 WeakPolarHBondContact O-CA 3.01Å; Q281-L410 WeakPolarHBondContact O-CB 3.44Å; Q281-V411 PolarHBondContact O-N 3.27Å; Q281-I426 HydrophobicContact CB-CB 4.46Å; Q281-I426 HydrophobicContact CB-CD1 3.95Å; Q281-I426 HydrophobicContact CB-CG1 3.97Å; Q281-I426 HydrophobicContact CB-CG2 3.65Å; Q281-I426 HydrophobicContact CG-CG2 4.35Å; Q281-I426 WeakPolarHBondContact O-CD1 3.36Å; Q281-I426 WeakPolarHBondContact O-CG1 3.45Å; Q281-N430 PolarHBondContact NE2-OD1 2.94Å; Q281-N430 PolarHBondContact OE1-ND2 2.93Å; Q281-N430 PolarHBondContact OE1-OD1 2.77Å
282V97.3Very high96Very high33 Ų3343.2 Ų43.220%0.221%0.212CC..EExtended strand (participates in β ladder)trans-110.4108.3160.3-179.40000107.1P280 I413 A422 K423 I426P280-V282 PolarHBondContact O-N 3.07Å; V282-I413 HydrophobicContact CG1-CD1 3.7Å; V282-I413 HydrophobicContact CG1-CG1 4.11Å; V282-I413 HydrophobicContact CG1-CG2 4.18Å; V282-A422 HydrophobicContact CB-CB 4.43Å; V282-A422 HydrophobicContact CG1-CB 3.74Å; V282-A422 HydrophobicContact CG2-CB 3.84Å; V282-K423 HydrophobicContact CG2-CG 4.26Å; V282-I426 HydrophobicContact CG2-CG1 4.05Å
283L96.1Very high96.1Very high5 Ų543.2 Ų43.23%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-111.8116.8-171.6179.559.7000110.6F289 M315 L365 L410 V411 V412 I413L283-F289 HydrophobicContact CD1-CB 4Å; L283-F289 HydrophobicContact CD1-CD1 3.63Å; L283-F289 HydrophobicContact CD1-CD2 4.45Å; L283-F289 HydrophobicContact CD1-CE1 4.15Å; L283-F289 HydrophobicContact CD1-CG 3.8Å; L283-F289 HydrophobicContact CD2-CD1 4.3Å; L283-F289 HydrophobicContact CD2-CE1 3.97Å; L283-F289 HydrophobicContact CD2-CE2 4.49Å; L283-F289 HydrophobicContact CD2-CZ 4.07Å; L283-M315 HydrophobicContact CD2-CE 4.28Å; L283-L365 HydrophobicContact CD2-CB 4.41Å; L283-L365 HydrophobicContact CD2-CD2 3.99Å; L283-L410 HydrophobicContact CB-CD1 4.21Å; L283-L410 HydrophobicContact CD2-CD1 4.22Å; L283-V411 PolarHBondContact N-O 3.44Å; L283-V412 CarbonylContact O-C 3.49Å; L283-V412 WeakPolarHBondContact O-CA 3.46Å; L283-I413 PolarHBondContact O-N 2.57Å
284K94.7Very high96Very high90 Ų9044 Ų4439%0.39122%0.215SC..EExtended strand (participates in β ladder)trans-82.4129.2173.9-170.4-178.6177.4-175.70111.2T287 I413 V414K284-T287 WeakPolarHBondContact CB-OG1 3.48Å; K284-T287 VanDerWaalsContact O-CB 3.27Å; K284-T287 WeakPolarHBondContact O-CB 3.39Å; K284-T287 PolarHBondContact O-N 3.27Å; K284-T287 PolarHBondContact O-OG1 3.46Å; K284-I413 CarbonylContact C-O 3.6Å; K284-I413 WeakPolarHBondContact CA-O 3.42Å; K284-I413 HydrophobicContact CB-CD1 4.37Å; K284-I413 HydrophobicContact CB-CG1 3.98Å; K284-I413 HydrophobicContact CG-CG1 4.33Å; K284-V414 VanDerWaalsContact CE-O 3.3Å; K284-V414 WeakPolarHBondContact CE-O 3.49Å
285T92.4Very high96Very high21 Ų2143.8 Ų43.813%0.12921%0.214CC..THydrogen-bonded Turntrans-54.4149171.854.90000111.6T287 V412 I413 V414T285-T287 PolarHBondContact O-N 3.01Å; T285-T287 PolarHBondContact O-OG1 2.85Å; T285-V412 HydrophobicContact CG2-CG1 3.64Å; T285-I413 PolarHBondContact N-O 3.37Å; T285-V414 HydrophobicContact CG2-CG1 4.07Å
286Q91.3Very high95.9Very high153 Ų15343.6 Ų43.672%0.71521%0.213SC*.THydrogen-bonded Turntrans5912.9-178.2-51.6-179.96.500114.6L364 L365Q286-L364 WeakPolarHBondContact O-CD1 3.28Å; Q286-L365 PolarHBondContact N-O 3.35Å
287T93.8Very high95.8Very high64 Ų6440.7 Ų40.739%0.39320%0.199SC..  trans-104135.5173.1-51.80000109.9K284 T285 L364K284-T287 WeakPolarHBondContact CB-OG1 3.48Å; K284-T287 VanDerWaalsContact O-CB 3.27Å; K284-T287 WeakPolarHBondContact O-CB 3.39Å; K284-T287 PolarHBondContact O-N 3.27Å; K284-T287 PolarHBondContact O-OG1 3.46Å; T285-T287 PolarHBondContact O-N 3.01Å; T285-T287 PolarHBondContact O-OG1 2.85Å; T287-L364 VanDerWaalsContact C-CD1 3.44Å; T287-L364 WeakPolarHBondContact O-CD1 3.43Å
288K95.4Very high95.5Very high146 Ų14636.1 Ų36.164%0.63518%0.179SC*.EExtended strand (participates in β ladder)trans-69.8140.5176.5-70.1-175.8178-174.50110.5N362 L363 L364K288-N362 PolarHBondContact NZ-OD1 3.04Å; K288-L363 CarbonylContact C-O 3.59Å; K288-L363 VanDerWaalsContact CA-O 3.26Å; K288-L363 WeakPolarHBondContact CA-O 3.33Å; K288-L364 HydrophobicContact CG-CD1 4.25Å
289F96.6Very high95Very high11 Ų1136 Ų365%0.04818%0.18CC..EExtended strand (participates in β ladder)trans-138.7174175.570.7-79.7000111.8P279 P280 L283 L363 L365 V386P279-F289 HydrophobicContact CB-CD2 3.88Å; P279-F289 HydrophobicContact CB-CE2 3.9Å; P280-F289 HydrophobicContact CG-CB 4.02Å; L283-F289 HydrophobicContact CD1-CB 4Å; L283-F289 HydrophobicContact CD1-CD1 3.63Å; L283-F289 HydrophobicContact CD1-CD2 4.45Å; L283-F289 HydrophobicContact CD1-CE1 4.15Å; L283-F289 HydrophobicContact CD1-CG 3.8Å; L283-F289 HydrophobicContact CD2-CD1 4.3Å; L283-F289 HydrophobicContact CD2-CE1 3.97Å; L283-F289 HydrophobicContact CD2-CE2 4.49Å; L283-F289 HydrophobicContact CD2-CZ 4.07Å; F289-L363 HydrophobicContact CD1-CB 3.78Å; F289-L363 HydrophobicContact CD2-CB 4Å; F289-L363 HydrophobicContact CD2-CD1 3.97Å; F289-L363 HydrophobicContact CE1-CB 3.54Å; F289-L363 HydrophobicContact CE2-CB 3.77Å; F289-L363 HydrophobicContact CE2-CD1 3.39Å; F289-L363 HydrophobicContact CE2-CG 4.21Å; F289-L363 HydrophobicContact CG-CB 4.02Å; F289-L363 HydrophobicContact CZ-CB 3.54Å; F289-L363 HydrophobicContact CZ-CD1 3.77Å; F289-L363 HydrophobicContact CZ-CG 4.26Å; F289-L363 PolarHBondContact N-O 3.03Å; F289-L363 PolarHBondContact O-N 3.42Å; F289-L365 HydrophobicContact CE1-CB 4.31Å; F289-V386 HydrophobicContact CE2-CG2 4.42Å
290Q97.4Very high94.5Very high76 Ų7640.6 Ų40.636%0.35520%0.196SC..EExtended strand (participates in β ladder)trans-128.7151177.8-63.9-172-14.600110.5F360 K361Q290-F360 VanDerWaalsContact CA-O 3.28Å; Q290-F360 WeakPolarHBondContact CA-O 3.18Å; Q290-K361 WeakPolarHBondContact CG-O 3.18Å; Q290-K361 PolarHBondContact NE2-O 2.75Å
291A97.7Very high93.9Very high0 Ų040.3 Ų40.30%019%0.189CC..EExtended strand (participates in β ladder)trans-149.9162.316600000108.9K277 P279 F360 L363 F388K277-A291 CarbonylContact O-C 3.56Å; K277-A291 VanDerWaalsContact O-CA 3.27Å; K277-A291 WeakPolarHBondContact O-CA 3.39Å; P279-A291 HydrophobicContact CB-CB 4.34Å; A291-F360 PolarHBondContact N-O 2.9Å; A291-F360 WeakPolarHBondContact O-CA 3.38Å; A291-F360 WeakPolarHBondContact O-CB 3.29Å; A291-F360 PolarHBondContact O-N 3.12Å; A291-L363 HydrophobicContact CB-CD1 4.08Å; A291-F388 HydrophobicContact CB-CE1 4.17Å; A291-F388 HydrophobicContact CB-CZ 3.58Å
292G96.9Very high92.9Very high5 Ų539.8 Ų39.85%0.05219%0.187CC..EExtended strand (participates in β ladder)trans-149.3136.7179.400000111.7V275 E276 K277 A358V275-G292 CarbonylContact C-O 3.58Å; E276-G292 PolarHBondContact N-O 3.15Å; K277-G292 PolarHBondContact N-O 3.5Å; K277-G292 PolarHBondContact O-N 3.16Å; G292-A358 WeakPolarHBondContact CA-O 3.44Å
293V97.1Very high91.4Very high0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-112.5149.2173.7-66.20000111F273 L274 V275 V311 S357 A358 F360 F388F273-V293 HydrophobicContact CE2-CB 3.95Å; F273-V293 HydrophobicContact CE2-CG2 3.73Å; F273-V293 HydrophobicContact CZ-CB 4.08Å; F273-V293 HydrophobicContact CZ-CG1 4.34Å; F273-V293 HydrophobicContact CZ-CG2 3.78Å; L274-V293 CarbonylContact O-C 3.5Å; L274-V293 WeakPolarHBondContact O-CA 3.22Å; L274-V293 WeakPolarHBondContact O-CB 3.43Å; V275-V293 HydrophobicContact CG2-CG1 4.12Å; V293-V311 HydrophobicContact CG2-CG1 4.03Å; V293-V311 HydrophobicContact CG2-CG2 4.2Å; V293-S357 CarbonylContact O-C 3.55Å; V293-S357 WeakPolarHBondContact O-CA 3.19Å; V293-S357 VanDerWaalsContact O-CB 3.3Å; V293-S357 WeakPolarHBondContact O-CB 3.48Å; V293-A358 HydrophobicContact CG2-CB 3.84Å; V293-A358 PolarHBondContact N-O 2.88Å; V293-A358 PolarHBondContact O-N 3.07Å; V293-F360 HydrophobicContact CG2-CE2 4.48Å; V293-F388 HydrophobicContact CG1-CB 3.76Å; V293-F388 HydrophobicContact CG1-CD1 3.85Å; V293-F388 HydrophobicContact CG1-CD2 3.73Å; V293-F388 HydrophobicContact CG1-CE1 4.41Å; V293-F388 HydrophobicContact CG1-CE2 4.31Å; V293-F388 HydrophobicContact CG1-CG 3.47Å; V293-F388 VanDerWaalsContact CG1-CG 3.47Å
294R96Very high89.7Confident22 Ų2245.1 Ų45.18%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-125.7136.6174.8-177.5169.7177.7162.53109.5L221 Q225 L274 E276 L296 C356L221-R294 HydrophobicContact CD1-CB 4.34Å; Q225-R294 VanDerWaalsContact OE1-NE 3.13Å; L274-R294 PolarHBondContact N-O 3.21Å; L274-R294 PolarHBondContact O-N 3.12Å; E276-R294 HydrophobicContact CB-CB 4.04Å; E276-R294 WeakPolarHBondContact OE1-CD 3.33Å; E276-R294 IonicContact OE1-CZ 3.93Å; E276-R294 IonicContact OE1-NE 2.92Å; E276-R294 IonicContact OE1-NH1 2.84Å; E276-R294 PolarHBondContact OE1-NH1 2.82Å; R294-L296 HydrophobicContact CG-CD2 4.29Å; R294-C356 CarbonylContact C-O 3.54Å; R294-C356 WeakPolarHBondContact CA-O 3.3Å; R294-C356 WeakPolarHBondContact CG-O 2.98Å
295F95.8Very high88Confident0 Ų043.8 Ų43.80%024%0.24CC..EExtended strand (participates in β ladder)trans-108.4105.2172.1-179.8-138.9000108.7V269 C272 F273 L297 G298 F301 L302 L347 C356 F392 L403V269-F295 HydrophobicContact CG1-CE2 4.28Å; V269-F295 HydrophobicContact CG1-CZ 4.11Å; C272-F295 HydrophobicContact CB-CD2 4.24Å; C272-F295 HydrophobicContact CB-CE2 4.08Å; C272-F295 CarbonylContact O-C 3.55Å; C272-F295 WeakPolarHBondContact O-CA 3.28Å; C272-F295 WeakPolarHBondContact O-CD2 3.4Å; F273-F295 HydrophobicContact CB-CD2 4.39Å; F273-F295 HydrophobicContact CD2-CB 4.03Å; F295-L297 HydrophobicContact CE1-CB 4.41Å; F295-L297 HydrophobicContact CE2-CB 4.02Å; F295-L297 HydrophobicContact CZ-CB 3.84Å; F295-L297 PolarHBondContact O-N 3.31Å; F295-L297 VanDerWaalsContact O-N 3.16Å; F295-G298 VanDerWaalsContact CD1-N 3.32Å; F295-G298 PolarHBondContact O-N 3.17Å; F295-F301 HydrophobicContact CZ-CD2 4.28Å; F295-L302 HydrophobicContact CD1-CD1 3.78Å; F295-L302 HydrophobicContact CD1-CG 4.44Å; F295-L302 HydrophobicContact CE1-CD1 4.08Å; F295-L302 HydrophobicContact CE1-CG 4.31Å; F295-L347 HydrophobicContact CB-CD1 4.45Å; F295-L347 HydrophobicContact CB-CD2 4.19Å; F295-L347 HydrophobicContact CD1-CD2 4.43Å; F295-C356 PolarHBondContact N-O 3.37Å; F295-C356 WeakPolarHBondContact O-CB 3.03Å; F295-F392 HydrophobicContact CE1-CE1 4.35Å; F295-F392 HydrophobicContact CE1-CZ 4.1Å; F295-F392 HydrophobicContact CZ-CE1 4.3Å; F295-F392 HydrophobicContact CZ-CZ 4Å; F295-L403 HydrophobicContact CD1-CD1 4.26Å; F295-L403 HydrophobicContact CD2-CD1 3.87Å; F295-L403 HydrophobicContact CE1-CD1 4.35Å; F295-L403 HydrophobicContact CE2-CD1 3.97Å; F295-L403 HydrophobicContact CE2-CD2 4.3Å; F295-L403 HydrophobicContact CG-CD1 4.06Å; F295-L403 HydrophobicContact CZ-CD1 4.22Å
296L95.6Very high86.3Confident0 Ų048.2 Ų48.20%028%0.279CS..THydrogen-bonded Turntrans-58.4-34.1-172.7-58179.9000112.3L221 L224 Q225 C228 C272 L274 R294L221-L296 HydrophobicContact CB-CD2 4.1Å; L221-L296 HydrophobicContact CD1-CD2 4.4Å; L221-L296 HydrophobicContact CD2-CD2 4.43Å; L224-L296 HydrophobicContact CG-CD1 4.29Å; Q225-L296 HydrophobicContact CB-CB 4.44Å; Q225-L296 HydrophobicContact CB-CD2 4.03Å; Q225-L296 HydrophobicContact CG-CB 4.03Å; Q225-L296 HydrophobicContact CG-CD2 4.25Å; Q225-L296 WeakPolarHBondContact CG-O 3.37Å; C228-L296 HydrophobicContact CB-CB 4.46Å; C272-L296 HydrophobicContact CB-CB 4Å; C272-L296 HydrophobicContact CB-CG 4.45Å; C272-L296 PolarHBondContact O-N 3.07Å; L274-L296 HydrophobicContact CD1-CD1 3.67Å; L274-L296 HydrophobicContact CD1-CD2 4.21Å; L274-L296 HydrophobicContact CD1-CG 3.65Å; R294-L296 HydrophobicContact CG-CD2 4.29Å
297L93.1Very high85.7Confident0 Ų049.6 Ų49.60%028%0.283CS..THydrogen-bonded Turntrans-9510.3-177.3-63.1171.7000113.7C228 E229 V232 L268 V269 C272 F295 L299 R300 F301C228-L297 HydrophobicContact CB-CD2 3.86Å; C228-L297 HydrophobicContact CB-CG 4.28Å; E229-L297 HydrophobicContact CG-CD2 4.24Å; V232-L297 HydrophobicContact CB-CD2 4.27Å; V232-L297 HydrophobicContact CG2-CD1 3.73Å; V232-L297 HydrophobicContact CG2-CD2 3.61Å; V232-L297 HydrophobicContact CG2-CG 4.28Å; L268-L297 HydrophobicContact CD2-CD1 4.34Å; L268-L297 HydrophobicContact CG-CD1 4.07Å; V269-L297 HydrophobicContact CG2-CD1 4.17Å; C272-L297 HydrophobicContact CB-CD1 3.92Å; C272-L297 HydrophobicContact CB-CG 4.02Å; C272-L297 VanDerWaalsContact SG-CD1 3.57Å; F295-L297 HydrophobicContact CE1-CB 4.41Å; F295-L297 HydrophobicContact CE2-CB 4.02Å; F295-L297 HydrophobicContact CZ-CB 3.84Å; F295-L297 PolarHBondContact O-N 3.31Å; F295-L297 VanDerWaalsContact O-N 3.16Å; L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.07Å; L297-R300 PolarHBondContact O-N 3.28Å; L297-R300 VanDerWaalsContact O-N 3.17Å; L297-F301 HydrophobicContact CB-CD2 3.77Å; L297-F301 HydrophobicContact CB-CE2 3.8Å; L297-F301 HydrophobicContact CD1-CE2 4.1Å; L297-F301 HydrophobicContact CG-CE2 4.44Å; L297-F301 WeakPolarHBondContact O-CD2 3.45Å; L297-F301 PolarHBondContact O-N 2.79Å; L297-F301 VanDerWaalsContact O-N 3.12Å
298G89.4Confident85.2Confident0 Ų049 Ų490%028%0.28CS..Hα-helixtrans-64.7-32.4-176.800000114.3F295 R300 F301 L302F295-G298 VanDerWaalsContact CD1-N 3.32Å; F295-G298 PolarHBondContact O-N 3.17Å; G298-R300 VanDerWaalsContact C-N 3.31Å; G298-R300 PolarHBondContact O-N 3.49Å; G298-F301 PolarHBondContact O-N 3.28Å; G298-L302 CarbonylContact O-C 3.04Å; G298-L302 VanDerWaalsContact O-CA 3.3Å; G298-L302 WeakPolarHBondContact O-CA 3.29Å; G298-L302 VanDerWaalsContact O-CB 3.29Å; G298-L302 WeakPolarHBondContact O-CB 3.26Å; G298-L302 PolarHBondContact O-N 3.26Å
299L87.6Confident84.9Confident40 Ų4043.1 Ų43.121%0.20926%0.256CS..Hα-helixtrans-68.8-29.5175.7-62.5179.4000112.8L297 N349 N354L297-L299 VanDerWaalsContact C-N 3.33Å; L297-L299 PolarHBondContact O-N 3.07Å; L299-N349 HydrophobicContact CD2-CB 4.01Å; L299-N354 WeakPolarHBondContact CD1-OD1 3.42Å
300R86.4Confident84.8Confident101 Ų10147.6 Ų47.638%0.38128%0.28SS..Hα-helixtrans-79.7-36.3175.9-70-66-171-69.4-6.2112.8E229 V232 D233 L297 G298E229-R300 VanDerWaalsContact CD-NH1 3.28Å; E229-R300 HydrophobicContact CG-CG 4.29Å; E229-R300 IonicContact OE1-NH1 2.7Å; E229-R300 IonicContact OE2-CZ 3.46Å; E229-R300 VanDerWaalsContact OE2-CZ 3.27Å; E229-R300 IonicContact OE2-NH1 3.39Å; E229-R300 PolarHBondContact OE2-NH1 3.2Å; E229-R300 IonicContact OE2-NH2 2.76Å; E229-R300 PolarHBondContact OE2-NH2 3.17Å; E229-R300 VanDerWaalsContact OE2-NH2 3.17Å; V232-R300 HydrophobicContact CG1-CG 4.5Å; D233-R300 IonicContact OD1-CZ 2.68Å; D233-R300 IonicContact OD1-NE 3.57Å; D233-R300 PolarHBondContact OD1-NE 3.23Å; D233-R300 IonicContact OD1-NH2 3.51Å; D233-R300 IonicContact OD2-CZ 3.96Å; D233-R300 IonicContact OD2-NE 3.31Å; D233-R300 PolarHBondContact OD2-NE 3.15Å; D233-R300 IonicContact OD2-NH2 2.99Å; D233-R300 PolarHBondContact OD2-NH2 2.9Å; L297-R300 PolarHBondContact O-N 3.28Å; L297-R300 VanDerWaalsContact O-N 3.17Å; G298-R300 VanDerWaalsContact C-N 3.31Å; G298-R300 PolarHBondContact O-N 3.49Å
301F83.9Confident84.7Confident55 Ų5544 Ų4424%0.24126%0.263CS..Hα-helixtrans-111-19.7-170.9-59.2-48.9000116.1V232 L265 V269 F295 L297 G298 F392 L394V232-F301 HydrophobicContact CG1-CE1 4.1Å; V232-F301 HydrophobicContact CG1-CE2 4.3Å; V232-F301 HydrophobicContact CG1-CZ 3.53Å; V232-F301 HydrophobicContact CG2-CE2 4.28Å; V232-F301 HydrophobicContact CG2-CZ 4.11Å; L265-F301 HydrophobicContact CD1-CE2 4.21Å; L265-F301 HydrophobicContact CD1-CZ 3.71Å; V269-F301 HydrophobicContact CG2-CD2 4.23Å; V269-F301 HydrophobicContact CG2-CE2 3.66Å; V269-F301 HydrophobicContact CG2-CZ 4.42Å; F295-F301 HydrophobicContact CZ-CD2 4.28Å; L297-F301 HydrophobicContact CB-CD2 3.77Å; L297-F301 HydrophobicContact CB-CE2 3.8Å; L297-F301 HydrophobicContact CD1-CE2 4.1Å; L297-F301 HydrophobicContact CG-CE2 4.44Å; L297-F301 WeakPolarHBondContact O-CD2 3.45Å; L297-F301 PolarHBondContact O-N 2.79Å; L297-F301 VanDerWaalsContact O-N 3.12Å; G298-F301 PolarHBondContact O-N 3.28Å; F301-F392 HydrophobicContact CB-CE2 4.14Å; F301-L394 HydrophobicContact CB-CD1 4.03Å; F301-L394 HydrophobicContact CD1-CD1 3.38Å; F301-L394 HydrophobicContact CD2-CD1 4.3Å; F301-L394 HydrophobicContact CE1-CD1 3.84Å; F301-L394 HydrophobicContact CG-CD1 3.65Å; F301-L394 HydrophobicContact CZ-CD1 4.45Å
302L77Confident84.6Confident14 Ų1450.1 Ų50.17%0.07329%0.287CS..SBendtrans-11933.4-177.9-54.7176.6000111.4F295 G298 P305 P309 L347 N349 F392F295-L302 HydrophobicContact CD1-CD1 3.78Å; F295-L302 HydrophobicContact CD1-CG 4.44Å; F295-L302 HydrophobicContact CE1-CD1 4.08Å; F295-L302 HydrophobicContact CE1-CG 4.31Å; G298-L302 CarbonylContact O-C 3.04Å; G298-L302 VanDerWaalsContact O-CA 3.3Å; G298-L302 WeakPolarHBondContact O-CA 3.29Å; G298-L302 VanDerWaalsContact O-CB 3.29Å; G298-L302 WeakPolarHBondContact O-CB 3.26Å; G298-L302 PolarHBondContact O-N 3.26Å; L302-P305 WeakPolarHBondContact O-CD 3.44Å; L302-P309 HydrophobicContact CD1-CG 3.86Å; L302-P309 HydrophobicContact CD2-CG 4.12Å; L302-L347 HydrophobicContact CD1-CD2 3.64Å; L302-L347 HydrophobicContact CD1-CG 4.21Å; L302-N349 PolarHBondContact O-ND2 3.48Å; L302-F392 HydrophobicContact CD2-CB 4.04Å; L302-F392 HydrophobicContact CD2-CD2 3.57Å; L302-F392 HydrophobicContact CD2-CE2 4.14Å; L302-F392 HydrophobicContact CD2-CG 3.84Å
303G65.4Low84.5Confident45 Ų4549.9 Ų49.946%0.46428%0.284SS..SBendtrans-43.8-82.8-163.900000117.1P305 N349G303-P305 VanDerWaalsContact C-CD 3.41Å; G303-N349 PolarHBondContact O-ND2 2.84Å
304A60.3Low84.4Confident105 Ų10551 Ų5187%0.86829%0.29SS*.SBendtrans-128.759.5175.900000112.1
305P58.3Low84.2Confident62 Ų6249.9 Ų49.940%0.40329%0.286SS..  trans-70.4142.9-178.331.1-37000110.9L302 G303 K307L302-P305 WeakPolarHBondContact O-CD 3.44Å; G303-P305 VanDerWaalsContact C-CD 3.41Å; P305-K307 PolarHBondContact O-N 2.81Å
306A57.7Low84Confident114 Ų11450 Ų5094%0.94229%0.287SS*.SBendtrans-60.9-16.8177.500000113.9
307K78Confident83.8Confident182 Ų18250.6 Ų50.679%0.79129%0.29SS*.SBendtrans-144.3127.8165.2-63.4-175.3-179.5177.90109.3P305P305-K307 PolarHBondContact O-N 2.81Å
308P84.5Confident83.6Confident51 Ų5152.6 Ų52.633%0.33130%0.299SS..PPolyproline II helixtrans-66.4151.8170.127.8-34000111.1P346 L347P308-P346 HydrophobicContact CB-CB 4.23Å; P308-P346 HydrophobicContact CG-CB 3.62Å; P308-L347 WeakPolarHBondContact CB-O 3.34Å
309P89.3Confident83.5Confident22 Ų2258.8 Ų58.814%0.14333%0.327CS..PPolyproline II helixtrans-67.5149.4171.929.2-31.5000110.2L302 L347 F392L302-P309 HydrophobicContact CD1-CG 3.86Å; L302-P309 HydrophobicContact CD2-CG 4.12Å; P309-L347 HydrophobicContact CG-CB 4.09Å; P309-L347 HydrophobicContact CG-CD2 4.18Å; P309-L347 WeakPolarHBondContact O-CB 3.19Å; P309-L347 PolarHBondContact O-N 2.84Å; P309-F392 HydrophobicContact CB-CB 4.4Å
310L93Very high83.6Confident105 Ų10557.8 Ų57.855%0.5532%0.321SS..EExtended strand (participates in β ladder)trans-89.7130.1178.7-61.6178.9000110.2T344 P346L310-T344 HydrophobicContact CB-CG2 3.89Å; L310-T344 HydrophobicContact CD1-CG2 4.04Å; L310-T344 HydrophobicContact CD2-CG2 4.49Å; L310-T344 HydrophobicContact CG-CG2 4.36Å; L310-P346 HydrophobicContact CD2-CB 4.25Å
311V95.8Very high83.7Confident0 Ų053 Ų530%030%0.303CS..EExtended strand (participates in β ladder)trans-90126.1165.9-168.90000108.5F273 V293 T344 V345 L347 A358 F360 F388 S389 A390F273-V311 HydrophobicContact CZ-CG1 3.98Å; F273-V311 HydrophobicContact CZ-CG2 4.4Å; V293-V311 HydrophobicContact CG2-CG1 4.03Å; V293-V311 HydrophobicContact CG2-CG2 4.2Å; V311-T344 CarbonylContact O-C 3.47Å; V311-T344 VanDerWaalsContact O-CA 3.3Å; V311-T344 WeakPolarHBondContact O-CA 3.4Å; V311-V345 PolarHBondContact N-O 2.71Å; V311-V345 PolarHBondContact O-N 2.99Å; V311-L347 HydrophobicContact CG2-CB 3.87Å; V311-L347 HydrophobicContact CG2-CD1 4.3Å; V311-L347 HydrophobicContact CG2-CG 4.44Å; V311-A358 HydrophobicContact CB-CB 4.06Å; V311-A358 HydrophobicContact CG2-CB 3.53Å; V311-F360 HydrophobicContact CB-CE2 4.38Å; V311-F360 HydrophobicContact CB-CZ 3.89Å; V311-F360 HydrophobicContact CG1-CE2 4.13Å; V311-F360 HydrophobicContact CG1-CZ 3.8Å; V311-F388 HydrophobicContact CG1-CB 4.11Å; V311-F388 HydrophobicContact CG1-CD1 4.4Å; V311-S389 WeakPolarHBondContact CA-O 3.23Å; V311-A390 HydrophobicContact CB-CB 4.5Å; V311-A390 HydrophobicContact CG2-CB 4.11Å
312R95.7Very high83.9Confident129 Ų12954.6 Ų54.649%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-102.2143.3170.6-177.4177160.2161.5-3.8110.1D314 N343 F388 S389R312-D314 WeakPolarHBondContact CD-OD2 3.48Å; R312-D314 WeakPolarHBondContact CG-OD2 3.39Å; R312-D314 IonicContact CZ-OD1 2.7Å; R312-D314 VanDerWaalsContact CZ-OD1 3.3Å; R312-D314 IonicContact CZ-OD2 3.69Å; R312-D314 VanDerWaalsContact NE-CG 3.28Å; R312-D314 IonicContact NE-OD1 2.92Å; R312-D314 PolarHBondContact NE-OD1 3.49Å; R312-D314 IonicContact NE-OD2 2.66Å; R312-D314 PolarHBondContact NE-OD2 3.1Å; R312-D314 IonicContact NH2-OD1 2.73Å; R312-D314 PolarHBondContact NH2-OD1 3.16Å; R312-D314 IonicContact NH2-OD2 3.99Å; R312-N343 CarbonylContact C-O 3.51Å; R312-N343 WeakPolarHBondContact CA-O 3.16Å; R312-F388 CarbonylContact O-C 3.6Å; R312-F388 WeakPolarHBondContact O-CA 3.38Å; R312-S389 PolarHBondContact N-O 3.24Å; R312-S389 PolarHBondContact O-N 2.85Å
313A95.8Very high84.3Confident0 Ų057.3 Ų57.30%032%0.32CS..EExtended strand (participates in β ladder)trans-114.9126.8174.600000109.9N343 F360 V386 L387 F388A313-N343 HydrophobicContact CB-CB 4.47Å; A313-N343 PolarHBondContact N-O 2.79Å; A313-N343 VanDerWaalsContact O-CB 3.31Å; A313-N343 WeakPolarHBondContact O-CB 3.37Å; A313-N343 PolarHBondContact O-ND2 3.41Å; A313-F360 HydrophobicContact CB-CE1 4.01Å; A313-F360 HydrophobicContact CB-CZ 4.18Å; A313-V386 HydrophobicContact CB-CG1 3.84Å; A313-L387 CarbonylContact C-O 3.56Å; A313-L387 WeakPolarHBondContact CA-O 3.19Å; A313-F388 HydrophobicContact CB-CD1 3.89Å; A313-F388 HydrophobicContact CB-CE1 3.82Å
314D93Very high84.9Confident23 Ų2358.3 Ų58.312%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-128.4152.6177.5-68.4-71.5000110.6R312 V386 L387R312-D314 WeakPolarHBondContact CD-OD2 3.48Å; R312-D314 WeakPolarHBondContact CG-OD2 3.39Å; R312-D314 IonicContact CZ-OD1 2.7Å; R312-D314 VanDerWaalsContact CZ-OD1 3.3Å; R312-D314 IonicContact CZ-OD2 3.69Å; R312-D314 VanDerWaalsContact NE-CG 3.28Å; R312-D314 IonicContact NE-OD1 2.92Å; R312-D314 PolarHBondContact NE-OD1 3.49Å; R312-D314 IonicContact NE-OD2 2.66Å; R312-D314 PolarHBondContact NE-OD2 3.1Å; R312-D314 IonicContact NH2-OD1 2.73Å; R312-D314 PolarHBondContact NH2-OD1 3.16Å; R312-D314 IonicContact NH2-OD2 3.99Å; D314-V386 CarbonylContact O-C 3.49Å; D314-V386 WeakPolarHBondContact O-CA 3.36Å; D314-L387 PolarHBondContact N-O 2.75Å; D314-L387 PolarHBondContact O-N 3.44Å
315M92.7Very high85.2Confident0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-91.8124.5177.2-175.561.960.400108.9L283 S336 T337 I340 L365 I368 C384 A385 V386 L410L283-M315 HydrophobicContact CD2-CE 4.28Å; M315-S336 PolarHBondContact N-OG 3.32Å; M315-S336 PolarHBondContact O-OG 2.99Å; M315-T337 PolarHBondContact O-N 3.29Å; M315-T337 PolarHBondContact O-OG1 2.9Å; M315-T337 VanDerWaalsContact O-OG1 3.08Å; M315-I340 HydrophobicContact CB-CD1 4.06Å; M315-I340 HydrophobicContact CB-CG1 4.31Å; M315-I340 HydrophobicContact CE-CD1 4.24Å; M315-L365 HydrophobicContact CE-CD1 4.25Å; M315-L365 HydrophobicContact CE-CD2 4.17Å; M315-I368 HydrophobicContact CG-CD1 4.06Å; M315-C384 HydrophobicContact SD-CB 3.81Å; M315-A385 VanDerWaalsContact SD-O 3.38Å; M315-V386 HydrophobicContact CE-CG2 4Å; M315-L410 HydrophobicContact CE-CD1 4.41Å; M315-L410 HydrophobicContact SD-CD1 4.41Å
316V92Very high85.5Confident3 Ų357.8 Ų57.82%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-119.5141177.9-65.40000110.8Q320 L324 C384 A385 L387 L406V316-Q320 HydrophobicContact CB-CB 4.07Å; V316-Q320 HydrophobicContact CG1-CB 4.42Å; V316-L324 HydrophobicContact CG1-CD1 4.47Å; V316-C384 CarbonylContact O-C 3.53Å; V316-C384 WeakPolarHBondContact O-CA 3.48Å; V316-C384 WeakPolarHBondContact O-CB 3.5Å; V316-A385 HydrophobicContact CG2-CB 4.31Å; V316-A385 WeakPolarHBondContact CG2-O 3.44Å; V316-A385 PolarHBondContact N-O 2.96Å; V316-A385 PolarHBondContact O-N 3.14Å; V316-L387 HydrophobicContact CG1-CB 4.01Å; V316-L387 HydrophobicContact CG1-CD2 4.35Å; V316-L387 HydrophobicContact CG2-CB 4.13Å; V316-L406 HydrophobicContact CG2-CD1 3.65Å
317T90.8Very high85.2Confident11 Ų1158.7 Ų58.77%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-77162.7170500000111.1K319 Q320 A321 T337T317-K319 PolarHBondContact O-N 3.22Å; T317-Q320 PolarHBondContact O-N 3.01Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.32Å; T317-Q320 PolarHBondContact OG1-OE1 3.3Å; T317-A321 PolarHBondContact O-N 3.15Å; T317-T337 HydrophobicContact CG2-CG2 3.78Å
318E89.5Confident83.8Confident42 Ų4255.2 Ų55.220%0.19628%0.284CS..Hα-helixtrans-51-40170.9180163.4179.300113.3Q320 A321 R322 K383 F440E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.43Å; E318-A321 PolarHBondContact O-N 2.69Å; E318-R322 VanDerWaalsContact O-CG 3.31Å; E318-R322 WeakPolarHBondContact O-CG 3.45Å; E318-R322 PolarHBondContact O-N 3.27Å; E318-R322 IonicContact OE1-CZ 3.89Å; E318-R322 IonicContact OE1-NE 2.77Å; E318-R322 PolarHBondContact OE1-NE 2.83Å; E318-R322 IonicContact OE1-NH2 3.71Å; E318-R322 PolarHBondContact OE1-NH2 2.92Å; E318-K383 WeakPolarHBondContact CB-O 3.43Å; E318-K383 PolarHBondContact N-O 3.18Å; E318-K383 VanDerWaalsContact N-O 3.14Å; E318-F440 HydrophobicContact CB-CD2 3.89Å; E318-F440 HydrophobicContact CB-CE2 4.39Å; E318-F440 HydrophobicContact CG-CB 4.46Å; E318-F440 HydrophobicContact CG-CD2 3.81Å; E318-F440 PolarHBondContact OE1-N 2.76Å
319K87.4Confident81.8Confident131 Ų13155.4 Ų55.457%0.5730%0.296SS*.Hα-helixtrans-57.6-45.2175.7-171.8-173.6-178.9-107.60111.9T317 R322 E323T317-K319 PolarHBondContact O-N 3.22Å; K319-R322 WeakPolarHBondContact O-CB 3.49Å; K319-R322 PolarHBondContact O-N 3.34Å; K319-E323 VanDerWaalsContact CE-OE1 3.24Å; K319-E323 WeakPolarHBondContact CE-OE1 3.5Å; K319-E323 IonicContact NZ-OE1 2.69Å; K319-E323 PolarHBondContact NZ-OE1 3.49Å; K319-E323 WeakPolarHBondContact O-CG 3.24Å; K319-E323 PolarHBondContact O-N 3.34Å
320Q88.3Confident79.2Confident19 Ų1961.5 Ų61.59%0.08934%0.335CS..Hα-helixtrans-72.5-34-179-67.1167-52.900112.1V316 T317 E318 R322 E323 L324 E335V316-Q320 HydrophobicContact CB-CB 4.07Å; V316-Q320 HydrophobicContact CG1-CB 4.42Å; T317-Q320 PolarHBondContact O-N 3.01Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.32Å; T317-Q320 PolarHBondContact OG1-OE1 3.3Å; E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.43Å; Q320-R322 VanDerWaalsContact C-N 3.27Å; Q320-R322 PolarHBondContact O-N 2.93Å; Q320-E323 PolarHBondContact O-N 2.75Å; Q320-L324 VanDerWaalsContact O-CG 3.28Å; Q320-L324 WeakPolarHBondContact O-CG 3.48Å; Q320-L324 PolarHBondContact O-N 2.99Å; Q320-E335 PolarHBondContact NE2-O 2.99Å
321A88.9Confident76.8Confident1 Ų160.1 Ų60.11%0.00835%0.346CS..Hα-helixtrans-61.3-35.7171.200000112.2T317 E318 S325 L406 P439 F440T317-A321 PolarHBondContact O-N 3.15Å; E318-A321 PolarHBondContact O-N 2.69Å; A321-S325 PolarHBondContact O-N 2.83Å; A321-S325 PolarHBondContact O-OG 2.76Å; A321-L406 HydrophobicContact CB-CD2 3.89Å; A321-P439 HydrophobicContact CB-CB 3.81Å; A321-F440 HydrophobicContact CB-CE2 3.93Å; A321-F440 HydrophobicContact CB-CZ 4.06Å
322R88.1Confident74.3Confident87 Ų8763.4 Ų63.433%0.32837%0.374SS..Hα-helixtrans-67.2-43.8171.7-63.8167.6179.4-87.1-0.2111.9E318 K319 Q320 L324 S325 V438 P439E318-R322 VanDerWaalsContact O-CG 3.31Å; E318-R322 WeakPolarHBondContact O-CG 3.45Å; E318-R322 PolarHBondContact O-N 3.27Å; E318-R322 IonicContact OE1-CZ 3.89Å; E318-R322 IonicContact OE1-NE 2.77Å; E318-R322 PolarHBondContact OE1-NE 2.83Å; E318-R322 IonicContact OE1-NH2 3.71Å; E318-R322 PolarHBondContact OE1-NH2 2.92Å; K319-R322 WeakPolarHBondContact O-CB 3.49Å; K319-R322 PolarHBondContact O-N 3.34Å; Q320-R322 VanDerWaalsContact C-N 3.27Å; Q320-R322 PolarHBondContact O-N 2.93Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-L324 PolarHBondContact O-N 3.22Å; R322-S325 VanDerWaalsContact O-CB 3.29Å; R322-S325 WeakPolarHBondContact O-CB 3.39Å; R322-S325 PolarHBondContact O-N 2.81Å; R322-V438 HydrophobicContact CB-CG1 4.45Å; R322-V438 HydrophobicContact CG-CG1 3.85Å; R322-P439 WeakPolarHBondContact CG-O 3.34Å; R322-P439 PolarHBondContact NE-O 2.64Å; R322-P439 PolarHBondContact NH2-O 2.99Å
323E85.9Confident72Confident71 Ų7160.6 Ų60.633%0.33239%0.385SS..Hα-helixtrans-63.2-38.7178.6-71162.7166.400111.9K319 Q320 S325 V326K319-E323 VanDerWaalsContact CE-OE1 3.24Å; K319-E323 WeakPolarHBondContact CE-OE1 3.5Å; K319-E323 IonicContact NZ-OE1 2.69Å; K319-E323 PolarHBondContact NZ-OE1 3.49Å; K319-E323 WeakPolarHBondContact O-CG 3.24Å; K319-E323 PolarHBondContact O-N 3.34Å; Q320-E323 PolarHBondContact O-N 2.75Å; E323-S325 PolarHBondContact O-N 3.29Å; E323-V326 PolarHBondContact O-N 3.2Å
324L78.6Confident70Confident66 Ų6663.1 Ų63.135%0.34641%0.406SS..THydrogen-bonded Turntrans-67.2-18.8171.8-69.3163.4000113.9V316 Q320 R322 V326 L387V316-L324 HydrophobicContact CG1-CD1 4.47Å; Q320-L324 VanDerWaalsContact O-CG 3.28Å; Q320-L324 WeakPolarHBondContact O-CG 3.48Å; Q320-L324 PolarHBondContact O-N 2.99Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-L324 PolarHBondContact O-N 3.22Å; L324-V326 VanDerWaalsContact C-N 3.29Å; L324-L387 HydrophobicContact CD1-CD1 4.29Å; L324-L387 HydrophobicContact CD1-CD2 3.84Å; L324-L387 HydrophobicContact CD2-CD2 4.47Å
325S66.9Low68.6Low68 Ų6868.5 Ų68.548%0.47643%0.43SS..THydrogen-bonded Turntrans-82.5-7.7176.4-53.90000112.8A321 R322 E323 P439A321-S325 PolarHBondContact O-N 2.83Å; A321-S325 PolarHBondContact O-OG 2.76Å; R322-S325 VanDerWaalsContact O-CB 3.29Å; R322-S325 WeakPolarHBondContact O-CB 3.39Å; R322-S325 PolarHBondContact O-N 2.81Å; E323-S325 PolarHBondContact O-N 3.29Å; S325-P439 WeakPolarHBondContact OG-CD 3.47Å
326V63.1Low67.3Low88 Ų8870.4 Ų70.453%0.53344%0.443SS..SBendtrans-110.4131.6178.8-179.80000108.8E323 L324 Q328E323-V326 PolarHBondContact O-N 3.2Å; L324-V326 VanDerWaalsContact C-N 3.29Å; V326-Q328 PolarHBondContact O-N 3.11Å
327P51.8Low66.4Low133 Ų13371.1 Ų71.186%0.86445%0.448SS*.  trans-69.691.1177.228.4-34.5000111
328Q49.2Very low65.7Low109 Ų10970.9 Ų70.951%0.50945%0.447SS..  trans-85.3156173.1-61.9-162.913.300112V326 A332V326-Q328 PolarHBondContact O-N 3.11Å; Q328-A332 VanDerWaalsContact OE1-CB 3.32Å
329G41.3Very low65.4Low56 Ų5674 Ų7458%0.57746%0.462SS*.  trans-67.216017600000113.4G331G329-G331 PolarHBondContact O-N 3.4Å
330P34.9Very low65.5Low149 Ų14968.6 Ų68.697%0.96844%0.439SS*.THydrogen-bonded Turntrans-66.6105.6-177.427.5-34.6000111.4
331G42.4Very low65.7Low76 Ų7670.4 Ų70.478%0.78445%0.449SS*.THydrogen-bonded Turntrans162.1-26.3176.100000115G329 G333G329-G331 PolarHBondContact O-N 3.4Å; G331-G333 VanDerWaalsContact C-N 3.31Å; G331-G333 PolarHBondContact O-N 3.37Å
332A43.5Very low65.8Low69 Ų6975 Ų7557%0.5747%0.473SS*.  trans-7674.3-179.800000112.7Q328 A334Q328-A332 VanDerWaalsContact OE1-CB 3.32Å; A332-A334 PolarHBondContact O-N 2.92Å
333G48.7Very low66Low70 Ų7072.4 Ų72.472%0.72247%0.466SS*.  trans-69.2114.5172.100000111.4G331 E335G331-G333 VanDerWaalsContact C-N 3.31Å; G331-G333 PolarHBondContact O-N 3.37Å; G333-E335 PolarHBondContact O-N 3.39Å
334A54Low66.4Low54 Ų5472.1 Ų72.145%0.44647%0.469SS..  trans-66.2113.5176.700000111A332 S336A332-A334 PolarHBondContact O-N 2.92Å; A334-S336 PolarHBondContact O-N 3.36Å
335E63.2Low67.2Low136 Ų13670.4 Ų70.464%0.63646%0.462SS*.  trans-59.7122.9171-70.3-164.9179.600110.4Q320 G333 T337 K369Q320-E335 PolarHBondContact NE2-O 2.99Å; G333-E335 PolarHBondContact O-N 3.39Å; E335-T337 PolarHBondContact O-N 2.98Å; E335-T337 VanDerWaalsContact O-N 3.14Å; E335-K369 IonicContact OE2-NZ 3.24Å; E335-K369 PolarHBondContact OE2-NZ 3.33Å
336S64.4Low68.5Low39 Ų3969 Ų6927%0.27345%0.45SS..  trans-60.2122.2175.4-172.60000110M315 A334 G338M315-S336 PolarHBondContact N-OG 3.32Å; M315-S336 PolarHBondContact O-OG 2.99Å; A334-S336 PolarHBondContact O-N 3.36Å; S336-G338 VanDerWaalsContact C-N 3.26Å; S336-G338 PolarHBondContact O-N 3.31Å; S336-G338 PolarHBondContact OG-O 3.44Å
337T73.4Confident69.9Low18 Ų1864.9 Ų64.911%0.1143%0.426CS..SBendtrans-79.7-13.4179.850.10000112.2M315 T317 E335 I368 K369M315-T337 PolarHBondContact O-N 3.29Å; M315-T337 PolarHBondContact O-OG1 2.9Å; M315-T337 VanDerWaalsContact O-OG1 3.08Å; T317-T337 HydrophobicContact CG2-CG2 3.78Å; E335-T337 PolarHBondContact O-N 2.98Å; E335-T337 VanDerWaalsContact O-N 3.14Å; T337-I368 CarbonylContact O-C 3.57Å; T337-I368 WeakPolarHBondContact O-CA 3.5Å; T337-K369 PolarHBondContact O-N 2.84Å
338G75.9Confident71.7Confident6 Ų664.3 Ų64.36%0.06241%0.411CS..EExtended strand (participates in β ladder)trans-126.9145.1175.200000113.6S336 I340 K367S336-G338 VanDerWaalsContact C-N 3.26Å; S336-G338 PolarHBondContact O-N 3.31Å; S336-G338 PolarHBondContact OG-O 3.44Å; G338-I340 PolarHBondContact O-N 3.33Å; G338-K367 CarbonylContact C-O 3.59Å; G338-K367 VanDerWaalsContact CA-O 3.25Å; G338-K367 WeakPolarHBondContact CA-O 3.33Å
339E84.2Confident73.5Confident109 Ų10961.1 Ų61.151%0.50940%0.398SS..EExtended strand (participates in β ladder)trans-86.897.2172-72.8172.3-135.800109.6K366 K367E339-K366 HydrophobicContact CB-CB 4.16Å; E339-K366 PolarHBondContact O-N 2.88Å; E339-K367 PolarHBondContact N-O 3.19Å
340I89.3Confident75.6Confident16 Ų1660.8 Ų60.88%0.08239%0.387CS..EExtended strand (participates in β ladder)trans-94.5128172-51.7179.2000108.8M315 G338 N343 L363 L364 L365M315-I340 HydrophobicContact CB-CD1 4.06Å; M315-I340 HydrophobicContact CB-CG1 4.31Å; M315-I340 HydrophobicContact CE-CD1 4.24Å; G338-I340 PolarHBondContact O-N 3.33Å; I340-N343 HydrophobicContact CB-CB 4.01Å; I340-N343 HydrophobicContact CG2-CB 3.83Å; I340-L363 HydrophobicContact CG2-CB 4.4Å; I340-L363 HydrophobicContact CG2-CD2 3.88Å; I340-L364 WeakPolarHBondContact CA-O 3.35Å; I340-L365 HydrophobicContact CG1-CD1 4.09Å
341I91.1Very high77.6Confident57 Ų5760.6 Ų60.629%0.29238%0.376SS..EExtended strand (participates in β ladder)trans-95.6159.7167.667.2160.3000112N343 L364 K366I341-N343 PolarHBondContact O-N 3.38Å; I341-L364 HydrophobicContact CD1-CB 4.19Å; I341-L364 HydrophobicContact CD1-CD2 3.68Å; I341-L364 HydrophobicContact CD1-CG 4.48Å; I341-L364 HydrophobicContact CG1-CB 3.69Å; I341-L364 HydrophobicContact CG1-CD2 3.98Å; I341-L364 HydrophobicContact CG1-CG 4.27Å; I341-L364 PolarHBondContact N-O 3.23Å; I341-K366 HydrophobicContact CG2-CD 3.93Å; I341-K366 HydrophobicContact CG2-CG 4.31Å
342N91.3Very high79.4Confident97 Ų9763.3 Ų63.352%0.51938%0.38SS..SBendtrans56.733.1-172.4-49.6-36.5000112.4T344 N362N342-T344 VanDerWaalsContact C-N 3.26Å; N342-T344 PolarHBondContact O-N 3.42Å; N342-N362 WeakPolarHBondContact CB-O 3.3Å; N342-N362 PolarHBondContact ND2-O 2.9Å
343N92.4Very high80.9Confident34 Ų3462 Ų6218%0.18237%0.373CS..  trans-84.510.4-167.784-39.7000114.2R312 A313 I340 I341R312-N343 CarbonylContact C-O 3.51Å; R312-N343 WeakPolarHBondContact CA-O 3.16Å; A313-N343 HydrophobicContact CB-CB 4.47Å; A313-N343 PolarHBondContact N-O 2.79Å; A313-N343 VanDerWaalsContact O-CB 3.31Å; A313-N343 WeakPolarHBondContact O-CB 3.37Å; A313-N343 PolarHBondContact O-ND2 3.41Å; I340-N343 HydrophobicContact CB-CB 4.01Å; I340-N343 HydrophobicContact CG2-CB 3.83Å; I341-N343 PolarHBondContact O-N 3.38Å
344T95.1Very high82.8Confident65 Ų6563.2 Ų63.240%0.39936%0.363SS..EExtended strand (participates in β ladder)trans-133.1126.4-178.7-56.30000109.8L310 V311 N342L310-T344 HydrophobicContact CB-CG2 3.89Å; L310-T344 HydrophobicContact CD1-CG2 4.04Å; L310-T344 HydrophobicContact CD2-CG2 4.49Å; L310-T344 HydrophobicContact CG-CG2 4.36Å; V311-T344 CarbonylContact O-C 3.47Å; V311-T344 VanDerWaalsContact O-CA 3.3Å; V311-T344 WeakPolarHBondContact O-CA 3.4Å; N342-T344 VanDerWaalsContact C-N 3.26Å; N342-T344 PolarHBondContact O-N 3.42Å
345V95.6Very high84.5Confident30 Ų3061.5 Ų61.518%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-141.5139.6-175.7171.40000109.4V311 A358 F360V311-V345 PolarHBondContact N-O 2.71Å; V311-V345 PolarHBondContact O-N 2.99Å; V345-A358 HydrophobicContact CG1-CB 4.04Å; V345-F360 HydrophobicContact CB-CD1 3.87Å; V345-F360 HydrophobicContact CB-CE1 3.72Å; V345-F360 HydrophobicContact CB-CG 4.35Å; V345-F360 HydrophobicContact CB-CZ 4.06Å; V345-F360 HydrophobicContact CG2-CB 4.43Å; V345-F360 HydrophobicContact CG2-CD1 3.32Å; V345-F360 HydrophobicContact CG2-CE1 3.63Å; V345-F360 HydrophobicContact CG2-CG 3.89Å; V345-F360 HydrophobicContact CG2-CZ 4.41Å
346P93.4Very high85.9Confident37 Ų3755 Ų5524%0.2432%0.317CS..EExtended strand (participates in β ladder)trans-63.9145.7174.527.5-36.4000112.8P308 L310 E348 A358P308-P346 HydrophobicContact CB-CB 4.23Å; P308-P346 HydrophobicContact CG-CB 3.62Å; L310-P346 HydrophobicContact CD2-CB 4.25Å; P346-E348 HydrophobicContact CB-CG 4.03Å; P346-E348 HydrophobicContact CG-CG 3.98Å; P346-E348 VanDerWaalsContact CG-OE1 3.3Å; P346-E348 WeakPolarHBondContact CG-OE1 3.43Å; P346-E348 PolarHBondContact O-N 2.84Å; P346-A358 WeakPolarHBondContact O-CB 3.42Å
347L92.6Very high87.3Confident3 Ų354.7 Ų54.72%0.01632%0.315CS..  trans-86.596.7170.9-174.855.1000109.1F295 L302 P308 P309 V311 C356 A358F295-L347 HydrophobicContact CB-CD1 4.45Å; F295-L347 HydrophobicContact CB-CD2 4.19Å; F295-L347 HydrophobicContact CD1-CD2 4.43Å; L302-L347 HydrophobicContact CD1-CD2 3.64Å; L302-L347 HydrophobicContact CD1-CG 4.21Å; P308-L347 WeakPolarHBondContact CB-O 3.34Å; P309-L347 HydrophobicContact CG-CB 4.09Å; P309-L347 HydrophobicContact CG-CD2 4.18Å; P309-L347 WeakPolarHBondContact O-CB 3.19Å; P309-L347 PolarHBondContact O-N 2.84Å; V311-L347 HydrophobicContact CG2-CB 3.87Å; V311-L347 HydrophobicContact CG2-CD1 4.3Å; V311-L347 HydrophobicContact CG2-CG 4.44Å; L347-C356 VanDerWaalsContact CG-SG 3.57Å; L347-A358 HydrophobicContact CD1-CB 4.23Å
348E90.1Very high88.4Confident120 Ų12053.9 Ų53.956%0.56131%0.31SS*.EExtended strand (participates in β ladder)trans-98.5141.4-169-66179.2170.600112.4P346 C356 S357P346-E348 HydrophobicContact CB-CG 4.03Å; P346-E348 HydrophobicContact CG-CG 3.98Å; P346-E348 VanDerWaalsContact CG-OE1 3.3Å; P346-E348 WeakPolarHBondContact CG-OE1 3.43Å; P346-E348 PolarHBondContact O-N 2.84Å; E348-C356 CarbonylContact O-C 3.49Å; E348-C356 WeakPolarHBondContact O-CA 3.3Å; E348-S357 PolarHBondContact N-O 3.26Å; E348-S357 PolarHBondContact O-N 2.85Å
349N87.3Confident89.3Confident43 Ų4357 Ų5723%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-90.6111.7173.1-73.9-7.7000110.5L299 L302 G303 I351 C356L299-N349 HydrophobicContact CD2-CB 4.01Å; L302-N349 PolarHBondContact O-ND2 3.48Å; G303-N349 PolarHBondContact O-ND2 2.84Å; N349-I351 PolarHBondContact O-N 3.04Å; N349-C356 WeakPolarHBondContact OD1-CB 3.18Å; N349-C356 PolarHBondContact OD1-SG 3.32Å
350S84.6Confident89.9Confident49 Ų4951.9 Ų51.934%0.34330%0.301SS..EExtended strand (participates in β ladder)trans-90.799.1170.9-176.90000109.6G353 N354 C355S350-G353 CarbonylContact O-C 3.59Å; S350-G353 PolarHBondContact O-N 2.94Å; S350-G353 PolarHBondContact OG-N 2.91Å; S350-N354 PolarHBondContact O-N 2.72Å; S350-C355 PolarHBondContact N-O 2.83Å; S350-C355 PolarHBondContact O-N 2.95Å
351I77.4Confident90.2Very high145 Ų14557.5 Ų57.574%0.74433%0.325SS*.THydrogen-bonded Turntrans-58.8-46175-55.7173.1000111.1N349 G353 N354N349-I351 PolarHBondContact O-N 3.04Å; I351-G353 VanDerWaalsContact C-N 3.27Å; I351-G353 PolarHBondContact O-N 2.95Å; I351-N354 PolarHBondContact O-N 3.25Å
352P79.4Confident90.3Very high132 Ų13258.4 Ų58.486%0.85733%0.33SS*.THydrogen-bonded Turntrans-67.1-24.6178.1-20.234.2000114.2
353G76.6Confident90.5Very high42 Ų4253.8 Ų53.843%0.43331%0.305SS..THydrogen-bonded Turntrans-92.8-1.317600000114.5S350 I351 C355S350-G353 CarbonylContact O-C 3.59Å; S350-G353 PolarHBondContact O-N 2.94Å; S350-G353 PolarHBondContact OG-N 2.91Å; I351-G353 VanDerWaalsContact C-N 3.27Å; I351-G353 PolarHBondContact O-N 2.95Å; G353-C355 PolarHBondContact O-N 2.89Å
354N87.6Confident90.6Very high96 Ų9653.7 Ų53.751%0.51331%0.305SS..THydrogen-bonded Turntrans42.445.4-169.7-162.345.2000113.5Q225 L299 S350 I351Q225-N354 PolarHBondContact NE2-O 2.87Å; Q225-N354 PolarHBondContact OE1-O 3.26Å; L299-N354 WeakPolarHBondContact CD1-OD1 3.42Å; S350-N354 PolarHBondContact O-N 2.72Å; I351-N354 PolarHBondContact O-N 3.25Å
355C89.4Confident90.5Very high17 Ų1750.6 Ų50.612%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-144.3154.8-174.470.40000113.7S350 G353S350-C355 PolarHBondContact N-O 2.83Å; S350-C355 PolarHBondContact O-N 2.95Å; G353-C355 PolarHBondContact O-N 2.89Å
356C92.9Very high90.2Very high0 Ų054.3 Ų54.30%030%0.3CS..EExtended strand (participates in β ladder)trans-115.1115.7171.6178.40000108.7R294 F295 L347 E348 N349R294-C356 CarbonylContact C-O 3.54Å; R294-C356 WeakPolarHBondContact CA-O 3.3Å; R294-C356 WeakPolarHBondContact CG-O 2.98Å; F295-C356 PolarHBondContact N-O 3.37Å; F295-C356 WeakPolarHBondContact O-CB 3.03Å; L347-C356 VanDerWaalsContact CG-SG 3.57Å; E348-C356 CarbonylContact O-C 3.49Å; E348-C356 WeakPolarHBondContact O-CA 3.3Å; N349-C356 WeakPolarHBondContact OD1-CB 3.18Å; N349-C356 PolarHBondContact OD1-SG 3.32Å
357S94Very high89.7Confident32 Ų3258.9 Ų58.922%0.22432%0.316CS..EExtended strand (participates in β ladder)trans-150.1156.2-170.166.80000114.2V293 E348V293-S357 CarbonylContact O-C 3.55Å; V293-S357 WeakPolarHBondContact O-CA 3.19Å; V293-S357 VanDerWaalsContact O-CB 3.3Å; V293-S357 WeakPolarHBondContact O-CB 3.48Å; E348-S357 PolarHBondContact N-O 3.26Å; E348-S357 PolarHBondContact O-N 2.85Å
358A95.5Very high89.3Confident1 Ų159.9 Ų59.91%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-125.4109.8170.700000109.2G292 V293 V311 V345 P346 L347 F360G292-A358 WeakPolarHBondContact CA-O 3.44Å; V293-A358 HydrophobicContact CG2-CB 3.84Å; V293-A358 PolarHBondContact N-O 2.88Å; V293-A358 PolarHBondContact O-N 3.07Å; V311-A358 HydrophobicContact CB-CB 4.06Å; V311-A358 HydrophobicContact CG2-CB 3.53Å; V345-A358 HydrophobicContact CG1-CB 4.04Å; P346-A358 WeakPolarHBondContact O-CB 3.42Å; L347-A358 HydrophobicContact CD1-CB 4.23Å; A358-F360 HydrophobicContact CB-CE2 4.3Å
359L96.3Very high88.8Confident72 Ų7260 Ų6038%0.37732%0.32SS..EExtended strand (participates in β ladder)trans-101.8106.8-177.9179.162.8000111.2K277 K361K277-L359 HydrophobicContact CD-CD1 4.26Å; L359-K361 HydrophobicContact CD2-CG 4.13Å; L359-K361 HydrophobicContact CG-CG 3.98Å; L359-K361 PolarHBondContact O-N 2.89Å; L359-K361 VanDerWaalsContact O-N 3.13Å
360F96.8Very high88.4Confident1 Ų162.6 Ų62.60%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-80.494.2177.5-59.2-101000110.3Q290 A291 V293 V311 A313 V345 A358 L363 F388Q290-F360 VanDerWaalsContact CA-O 3.28Å; Q290-F360 WeakPolarHBondContact CA-O 3.18Å; A291-F360 PolarHBondContact N-O 2.9Å; A291-F360 WeakPolarHBondContact O-CA 3.38Å; A291-F360 WeakPolarHBondContact O-CB 3.29Å; A291-F360 PolarHBondContact O-N 3.12Å; V293-F360 HydrophobicContact CG2-CE2 4.48Å; V311-F360 HydrophobicContact CB-CE2 4.38Å; V311-F360 HydrophobicContact CB-CZ 3.89Å; V311-F360 HydrophobicContact CG1-CE2 4.13Å; V311-F360 HydrophobicContact CG1-CZ 3.8Å; A313-F360 HydrophobicContact CB-CE1 4.01Å; A313-F360 HydrophobicContact CB-CZ 4.18Å; V345-F360 HydrophobicContact CB-CD1 3.87Å; V345-F360 HydrophobicContact CB-CE1 3.72Å; V345-F360 HydrophobicContact CB-CG 4.35Å; V345-F360 HydrophobicContact CB-CZ 4.06Å; V345-F360 HydrophobicContact CG2-CB 4.43Å; V345-F360 HydrophobicContact CG2-CD1 3.32Å; V345-F360 HydrophobicContact CG2-CE1 3.63Å; V345-F360 HydrophobicContact CG2-CG 3.89Å; V345-F360 HydrophobicContact CG2-CZ 4.41Å; A358-F360 HydrophobicContact CB-CE2 4.3Å; F360-L363 HydrophobicContact CB-CD1 3.73Å; F360-L363 HydrophobicContact CB-CD2 3.86Å; F360-L363 HydrophobicContact CB-CG 3.62Å; F360-L363 HydrophobicContact CD1-CD2 3.73Å; F360-L363 HydrophobicContact CD1-CG 4.43Å; F360-L363 HydrophobicContact CG-CD1 4.25Å; F360-L363 HydrophobicContact CG-CD2 4.12Å; F360-L363 HydrophobicContact CG-CG 4.33Å; F360-F388 HydrophobicContact CD2-CD1 4.3Å; F360-F388 AromaticContact CD2-CE1 3.85Å; F360-F388 HydrophobicContact CD2-CE1 3.85Å; F360-F388 AromaticContact CE2-CD1 3.6Å; F360-F388 HydrophobicContact CE2-CD1 3.6Å; F360-F388 AromaticContact CE2-CE1 3.63Å; F360-F388 HydrophobicContact CE2-CE1 3.63Å; F360-F388 AromaticContact CZ-CD1 3.99Å; F360-F388 HydrophobicContact CZ-CD1 3.99Å; F360-F388 HydrophobicContact CZ-CE1 4.22Å
361K94.4Very high88Confident135 Ų13563.3 Ų63.359%0.58733%0.331SS*.EExtended strand (participates in β ladder)trans-77.2-17.1-173.1-64.8173.4-175.6169.80115.3Q290 L359Q290-K361 WeakPolarHBondContact CG-O 3.18Å; Q290-K361 PolarHBondContact NE2-O 2.75Å; L359-K361 HydrophobicContact CD2-CG 4.13Å; L359-K361 HydrophobicContact CG-CG 3.98Å; L359-K361 PolarHBondContact O-N 2.89Å; L359-K361 VanDerWaalsContact O-N 3.13Å
362N93.3Very high87.9Confident75 Ų7565.7 Ų65.740%0.40134%0.338SS..EExtended strand (participates in β ladder)trans-145.943.4-168.5-81.6-75.6000113.3K288 N342K288-N362 PolarHBondContact NZ-OD1 3.04Å; N342-N362 WeakPolarHBondContact CB-O 3.3Å; N342-N362 PolarHBondContact ND2-O 2.9Å
363L95.5Very high87.8Confident0 Ų065.4 Ų65.40%032%0.32CS..EExtended strand (participates in β ladder)trans-66.2146.9172.8-63.3174.5000110.3K288 F289 A291 I340 F360K288-L363 CarbonylContact C-O 3.59Å; K288-L363 VanDerWaalsContact CA-O 3.26Å; K288-L363 WeakPolarHBondContact CA-O 3.33Å; F289-L363 HydrophobicContact CD1-CB 3.78Å; F289-L363 HydrophobicContact CD2-CB 4Å; F289-L363 HydrophobicContact CD2-CD1 3.97Å; F289-L363 HydrophobicContact CE1-CB 3.54Å; F289-L363 HydrophobicContact CE2-CB 3.77Å; F289-L363 HydrophobicContact CE2-CD1 3.39Å; F289-L363 HydrophobicContact CE2-CG 4.21Å; F289-L363 HydrophobicContact CG-CB 4.02Å; F289-L363 HydrophobicContact CZ-CB 3.54Å; F289-L363 HydrophobicContact CZ-CD1 3.77Å; F289-L363 HydrophobicContact CZ-CG 4.26Å; F289-L363 PolarHBondContact N-O 3.03Å; F289-L363 PolarHBondContact O-N 3.42Å; A291-L363 HydrophobicContact CB-CD1 4.08Å; I340-L363 HydrophobicContact CG2-CB 4.4Å; I340-L363 HydrophobicContact CG2-CD2 3.88Å; F360-L363 HydrophobicContact CB-CD1 3.73Å; F360-L363 HydrophobicContact CB-CD2 3.86Å; F360-L363 HydrophobicContact CB-CG 3.62Å; F360-L363 HydrophobicContact CD1-CD2 3.73Å; F360-L363 HydrophobicContact CD1-CG 4.43Å; F360-L363 HydrophobicContact CG-CD1 4.25Å; F360-L363 HydrophobicContact CG-CD2 4.12Å; F360-L363 HydrophobicContact CG-CG 4.33Å
364L94.5Very high87.5Confident32 Ų3272 Ų7217%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-148.6119.2174.617477.2000109.2Q286 T287 K288 I340 I341 K366Q286-L364 WeakPolarHBondContact O-CD1 3.28Å; T287-L364 VanDerWaalsContact C-CD1 3.44Å; T287-L364 WeakPolarHBondContact O-CD1 3.43Å; K288-L364 HydrophobicContact CG-CD1 4.25Å; I340-L364 WeakPolarHBondContact CA-O 3.35Å; I341-L364 HydrophobicContact CD1-CB 4.19Å; I341-L364 HydrophobicContact CD1-CD2 3.68Å; I341-L364 HydrophobicContact CD1-CG 4.48Å; I341-L364 HydrophobicContact CG1-CB 3.69Å; I341-L364 HydrophobicContact CG1-CD2 3.98Å; I341-L364 HydrophobicContact CG1-CG 4.27Å; I341-L364 PolarHBondContact N-O 3.23Å; L364-K366 PolarHBondContact O-N 2.98Å
365L93.4Very high86.9Confident0 Ų071.5 Ų71.50%035%0.354CS..EExtended strand (participates in β ladder)trans-84.3106.8173.6-179.166000109.1L283 Q286 F289 M315 I340 K367 V412L283-L365 HydrophobicContact CD2-CB 4.41Å; L283-L365 HydrophobicContact CD2-CD2 3.99Å; Q286-L365 PolarHBondContact N-O 3.35Å; F289-L365 HydrophobicContact CE1-CB 4.31Å; M315-L365 HydrophobicContact CE-CD1 4.25Å; M315-L365 HydrophobicContact CE-CD2 4.17Å; I340-L365 HydrophobicContact CG1-CD1 4.09Å; L365-K367 WeakPolarHBondContact CD1-O 3.25Å; L365-V412 HydrophobicContact CD2-CB 4.49Å; L365-V412 HydrophobicContact CD2-CG1 3.61Å; L365-V412 HydrophobicContact CD2-CG2 3.98Å
366K88.3Confident86.2Confident109 Ų10977.1 Ų77.147%0.47439%0.388SS..EExtended strand (participates in β ladder)trans-72.3-49.5178.8-80.1-176.3168.9-178.80112.3E339 I341 L364E339-K366 HydrophobicContact CB-CB 4.16Å; E339-K366 PolarHBondContact O-N 2.88Å; I341-K366 HydrophobicContact CG2-CD 3.93Å; I341-K366 HydrophobicContact CG2-CG 4.31Å; L364-K366 PolarHBondContact O-N 2.98Å
367K83.4Confident85.6Confident132 Ų13280.4 Ų80.457%0.57440%0.403SS*.EExtended strand (participates in β ladder)trans-149.5151.7-171.3-171.9176.4-179.7-177.70109.6G338 E339 L365G338-K367 CarbonylContact C-O 3.59Å; G338-K367 VanDerWaalsContact CA-O 3.25Å; G338-K367 WeakPolarHBondContact CA-O 3.33Å; E339-K367 PolarHBondContact N-O 3.19Å; L365-K367 WeakPolarHBondContact CD1-O 3.25Å
368I83.6Confident85.3Confident25 Ų2581 Ų8113%0.12841%0.408CS..EExtended strand (participates in β ladder)trans-133.7135.7171.4-171.4162.6000109.9M315 T337 R370 V412M315-I368 HydrophobicContact CG-CD1 4.06Å; T337-I368 CarbonylContact O-C 3.57Å; T337-I368 WeakPolarHBondContact O-CA 3.5Å; I368-R370 HydrophobicContact CG2-CG 4.49Å; I368-V412 HydrophobicContact CD1-CB 4.16Å; I368-V412 HydrophobicContact CD1-CG1 4.42Å; I368-V412 HydrophobicContact CD1-CG2 3.81Å; I368-V412 HydrophobicContact CG2-CG1 3.94Å
369K80.8Confident84.9Confident122 Ų12282.4 Ų82.453%0.5342%0.416SS..PPolyproline II helixtrans-78116.8163-62.7179.2-176.3175.30106.8E335 T337E335-K369 IonicContact OE2-NZ 3.24Å; E335-K369 PolarHBondContact OE2-NZ 3.33Å; T337-K369 PolarHBondContact O-N 2.84Å
370R78.9Confident84.7Confident97 Ų9779.3 Ų79.337%0.36640%0.4SS..PPolyproline II helixtrans-83.4157.3174.5-76.8-175.9171.3140.4-3.5111.1I368 E382 V412I368-R370 HydrophobicContact CG2-CG 4.49Å; R370-E382 VanDerWaalsContact CB-OE2 3.27Å; R370-E382 WeakPolarHBondContact CB-OE2 3.07Å; R370-E382 WeakPolarHBondContact CG-OE2 3.24Å; R370-V412 PolarHBondContact NH2-O 2.95Å
371C76.4Confident84.5Confident65 Ų6580.4 Ų80.444%0.43941%0.405SS..PPolyproline II helixtrans-80.5159.5176.3-71.50000111.3R373 E382C371-R373 PolarHBondContact O-N 3Å; C371-E382 PolarHBondContact N-OE2 3.35Å
372E75.4Confident84.3Confident194 Ų19475.1 Ų75.191%0.90738%0.383SS*.  trans-71.7109.4165.9-67.3-172.8153.200109.3
373R76.8Confident84.4Confident127 Ų12772.7 Ų72.748%0.47937%0.369SS..  trans-72.5150.9178-75178.7-75.4115.410.2111.5C371 E377 E382C371-R373 PolarHBondContact O-N 3Å; R373-E377 HydrophobicContact CB-CB 4.38Å; R373-E377 WeakPolarHBondContact CD-O 3.33Å; R373-E377 HydrophobicContact CG-CG 4.39Å; R373-E377 PolarHBondContact NH1-O 2.88Å; R373-E382 WeakPolarHBondContact CD-OE1 3.37Å; R373-E382 HydrophobicContact CG-CG 4.04Å; R373-E382 IonicContact NE-OE1 3.15Å; R373-E382 PolarHBondContact NE-OE1 2.87Å; R373-E382 VanDerWaalsContact NE-OE1 3.15Å
374K70.4Confident84.3Confident181 Ų18173 Ų7379%0.78737%0.371SS*.  trans-111.9133.8179-66.5-179.3179.6179.60110.9T376K374-T376 PolarHBondContact O-N 3.49Å
375G74.5Confident84.3Confident84 Ų8471.5 Ų71.587%0.86636%0.363SS*.THydrogen-bonded Turntrans62.2-132.7177.900000113.2
376T74.4Confident84.4Confident135 Ų13571.5 Ų71.583%0.82836%0.363SS*.THydrogen-bonded Turntrans-94.319.6-173.352.70000114.1K374 S378K374-T376 PolarHBondContact O-N 3.49Å; T376-S378 PolarHBondContact O-N 3.37Å
377E81.7Confident84.8Confident69 Ų6967 Ų6732%0.32234%0.344SS..  trans-65.3129.9-179.6-174.1174.5-145.200112.5R373 E381R373-E377 HydrophobicContact CB-CB 4.38Å; R373-E377 WeakPolarHBondContact CD-O 3.33Å; R373-E377 HydrophobicContact CG-CG 4.39Å; R373-E377 PolarHBondContact NH1-O 2.88Å; E377-E381 HydrophobicContact CG-CB 4.03Å
378S86.1Confident85.4Confident46 Ų4660.7 Ų60.732%0.32232%0.316SS..  trans-77.7146.1174.4177.70000111.1T376 T380 E381T376-S378 PolarHBondContact O-N 3.37Å; S378-T380 PolarHBondContact O-N 3.33Å; S378-T380 PolarHBondContact OG-N 3.13Å; S378-T380 PolarHBondContact OG-OG1 3.36Å; S378-E381 WeakPolarHBondContact CB-OE1 3.44Å; S378-E381 PolarHBondContact N-OE1 3.29Å; S378-E381 WeakPolarHBondContact O-CB 3.29Å; S378-E381 PolarHBondContact O-N 3.21Å
379V88.3Confident86Confident30 Ų3060.5 Ų60.518%0.18232%0.318CS..THydrogen-bonded Turntrans-60.4-13.1170.1690000113.8E381V379-E381 VanDerWaalsContact C-N 3.34Å
380T91.4Very high86.5Confident7 Ų754.8 Ų54.84%0.04329%0.293CS..THydrogen-bonded Turntrans-88.81.2172.659.30000113.6S378 V411 Q418 N421 T425S378-T380 PolarHBondContact O-N 3.33Å; S378-T380 PolarHBondContact OG-N 3.13Å; S378-T380 PolarHBondContact OG-OG1 3.36Å; T380-V411 WeakPolarHBondContact O-CG1 3.29Å; T380-Q418 HydrophobicContact CG2-CB 3.86Å; T380-Q418 HydrophobicContact CG2-CG 4.4Å; T380-N421 HydrophobicContact CG2-CB 4.06Å; T380-N421 WeakPolarHBondContact OG1-CB 3.24Å; T380-T425 WeakPolarHBondContact O-CB 3.38Å; T380-T425 PolarHBondContact O-OG1 3.19Å
381E92.4Very high87Confident24 Ų2453.3 Ų53.311%0.11230%0.298CS..THydrogen-bonded Turntrans-99-21.5172.8-60.9178.3-101.600111.9E377 S378 V379 K383 W499 K504E377-E381 HydrophobicContact CG-CB 4.03Å; S378-E381 WeakPolarHBondContact CB-OE1 3.44Å; S378-E381 PolarHBondContact N-OE1 3.29Å; S378-E381 WeakPolarHBondContact O-CB 3.29Å; S378-E381 PolarHBondContact O-N 3.21Å; V379-E381 VanDerWaalsContact C-N 3.34Å; E381-K383 WeakPolarHBondContact O-CG 3.49Å; E381-K383 PolarHBondContact O-N 3.23Å; E381-W499 HydrophobicContact CG-CZ2 4.07Å; E381-W499 PolarHBondContact OE2-NE1 2.86Å; E381-K504 WeakPolarHBondContact OE1-CE 3.32Å; E381-K504 IonicContact OE1-NZ 2.78Å; E381-K504 PolarHBondContact OE1-NZ 2.69Å; E381-K504 WeakPolarHBondContact OE2-CE 3.3Å; E381-K504 IonicContact OE2-NZ 3.47Å; E381-K504 PolarHBondContact OE2-NZ 3.45Å
382E91.7Very high87.5Confident24 Ų2451.2 Ų51.211%0.11228%0.281CS..  trans-58.4106.8177.7-69.5-178.5-129.800111.5R370 C371 R373R370-E382 VanDerWaalsContact CB-OE2 3.27Å; R370-E382 WeakPolarHBondContact CB-OE2 3.07Å; R370-E382 WeakPolarHBondContact CG-OE2 3.24Å; C371-E382 PolarHBondContact N-OE2 3.35Å; R373-E382 WeakPolarHBondContact CD-OE1 3.37Å; R373-E382 HydrophobicContact CG-CG 4.04Å; R373-E382 IonicContact NE-OE1 3.15Å; R373-E382 PolarHBondContact NE-OE1 2.87Å; R373-E382 VanDerWaalsContact NE-OE1 3.15Å
383K94.1Very high87.8Confident24 Ų2446.3 Ų46.310%0.10426%0.264CS..EExtended strand (participates in β ladder)trans-87.3133.9178.5-58.3176.3-169.8179.70111.7E318 E381 P409 T425 D429 F440E318-K383 WeakPolarHBondContact CB-O 3.43Å; E318-K383 PolarHBondContact N-O 3.18Å; E318-K383 VanDerWaalsContact N-O 3.14Å; E381-K383 WeakPolarHBondContact O-CG 3.49Å; E381-K383 PolarHBondContact O-N 3.23Å; K383-P409 HydrophobicContact CB-CB 4.36Å; K383-P409 HydrophobicContact CD-CB 4.4Å; K383-T425 HydrophobicContact CG-CG2 4.42Å; K383-D429 IonicContact NZ-OD2 2.78Å; K383-D429 PolarHBondContact NZ-OD2 2.89Å; K383-F440 HydrophobicContact CB-CD2 3.96Å; K383-F440 HydrophobicContact CD-CB 3.55Å; K383-F440 HydrophobicContact CD-CG 4.33Å; K383-F440 PolarHBondContact NZ-O 2.68Å
384C93.4Very high87.6Confident6 Ų641.2 Ų41.24%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-128.2173.8171.8-61.50000109.6M315 V316 P409 L410M315-C384 HydrophobicContact SD-CB 3.81Å; V316-C384 CarbonylContact O-C 3.53Å; V316-C384 WeakPolarHBondContact O-CA 3.48Å; V316-C384 WeakPolarHBondContact O-CB 3.5Å; C384-P409 CarbonylContact O-C 3.55Å; C384-P409 WeakPolarHBondContact O-CA 3.27Å; C384-L410 HydrophobicContact CB-CD1 4.18Å; C384-L410 PolarHBondContact N-O 2.93Å; C384-L410 PolarHBondContact O-N 3.35Å
385A95Very high87.2Confident0 Ų034.9 Ų34.90%023%0.232CC..EExtended strand (participates in β ladder)trans-150.1162.9169.800000111.2M315 V316 L406 S407 F440M315-A385 VanDerWaalsContact SD-O 3.38Å; V316-A385 HydrophobicContact CG2-CB 4.31Å; V316-A385 WeakPolarHBondContact CG2-O 3.44Å; V316-A385 PolarHBondContact N-O 2.96Å; V316-A385 PolarHBondContact O-N 3.14Å; A385-L406 HydrophobicContact CB-CD1 3.71Å; A385-L406 HydrophobicContact CB-CD2 4.48Å; A385-L406 HydrophobicContact CB-CG 3.88Å; A385-S407 WeakPolarHBondContact CB-OG 3.25Å; A385-F440 HydrophobicContact CB-CE2 4.18Å; A385-F440 HydrophobicContact CB-CZ 3.61Å
386V95.7Very high86.2Confident0 Ų037.5 Ų37.50%023%0.234CC..EExtended strand (participates in β ladder)trans-90.7121.1167.2-174.50000108.3P279 F289 A313 D314 M315 F388 S407 L410P279-V386 HydrophobicContact CG-CG2 4.24Å; F289-V386 HydrophobicContact CE2-CG2 4.42Å; A313-V386 HydrophobicContact CB-CG1 3.84Å; D314-V386 CarbonylContact O-C 3.49Å; D314-V386 WeakPolarHBondContact O-CA 3.36Å; M315-V386 HydrophobicContact CE-CG2 4Å; V386-F388 HydrophobicContact CB-CE2 3.91Å; V386-F388 HydrophobicContact CB-CZ 3.97Å; V386-F388 HydrophobicContact CG1-CD1 4.37Å; V386-F388 HydrophobicContact CG1-CD2 4.28Å; V386-F388 HydrophobicContact CG1-CE1 3.82Å; V386-F388 HydrophobicContact CG1-CE2 3.72Å; V386-F388 HydrophobicContact CG1-CZ 3.45Å; V386-F388 VanDerWaalsContact CG1-CZ 3.45Å; V386-S407 PolarHBondContact N-OG 2.97Å; V386-S407 PolarHBondContact O-N 2.93Å; V386-L410 HydrophobicContact CG2-CD2 4.1Å
387L96Very high85.5Confident14 Ų1434.6 Ų34.67%0.07323%0.231CC..EExtended strand (participates in β ladder)trans-88.4122167.7176.967.4000108.7A313 D314 V316 L324 Q404 L406A313-L387 CarbonylContact C-O 3.56Å; A313-L387 WeakPolarHBondContact CA-O 3.19Å; D314-L387 PolarHBondContact N-O 2.75Å; D314-L387 PolarHBondContact O-N 3.44Å; V316-L387 HydrophobicContact CG1-CB 4.01Å; V316-L387 HydrophobicContact CG1-CD2 4.35Å; V316-L387 HydrophobicContact CG2-CB 4.13Å; L324-L387 HydrophobicContact CD1-CD1 4.29Å; L324-L387 HydrophobicContact CD1-CD2 3.84Å; L324-L387 HydrophobicContact CD2-CD2 4.47Å; L387-Q404 HydrophobicContact CD1-CB 4.22Å; L387-L406 HydrophobicContact CB-CD1 4.25Å; L387-L406 HydrophobicContact CD1-CD1 4.34Å
388F96.6Very high84.9Confident0 Ų038.7 Ų38.70%025%0.248CC..EExtended strand (participates in β ladder)trans-97.1125.5168.8-58.8-85.1000108.9F273 V275 A291 V293 V311 R312 A313 F360 V386 Q404 A405F273-F388 HydrophobicContact CE1-CB 4.15Å; F273-F388 HydrophobicContact CZ-CB 4.39Å; V275-F388 HydrophobicContact CG1-CE2 4.19Å; V275-F388 HydrophobicContact CG2-CD2 3.67Å; V275-F388 HydrophobicContact CG2-CE2 3.81Å; A291-F388 HydrophobicContact CB-CE1 4.17Å; A291-F388 HydrophobicContact CB-CZ 3.58Å; V293-F388 HydrophobicContact CG1-CB 3.76Å; V293-F388 HydrophobicContact CG1-CD1 3.85Å; V293-F388 HydrophobicContact CG1-CD2 3.73Å; V293-F388 HydrophobicContact CG1-CE1 4.41Å; V293-F388 HydrophobicContact CG1-CE2 4.31Å; V293-F388 HydrophobicContact CG1-CG 3.47Å; V293-F388 VanDerWaalsContact CG1-CG 3.47Å; V311-F388 HydrophobicContact CG1-CB 4.11Å; V311-F388 HydrophobicContact CG1-CD1 4.4Å; R312-F388 CarbonylContact O-C 3.6Å; R312-F388 WeakPolarHBondContact O-CA 3.38Å; A313-F388 HydrophobicContact CB-CD1 3.89Å; A313-F388 HydrophobicContact CB-CE1 3.82Å; F360-F388 HydrophobicContact CD2-CD1 4.3Å; F360-F388 AromaticContact CD2-CE1 3.85Å; F360-F388 HydrophobicContact CD2-CE1 3.85Å; F360-F388 AromaticContact CE2-CD1 3.6Å; F360-F388 HydrophobicContact CE2-CD1 3.6Å; F360-F388 AromaticContact CE2-CE1 3.63Å; F360-F388 HydrophobicContact CE2-CE1 3.63Å; F360-F388 AromaticContact CZ-CD1 3.99Å; F360-F388 HydrophobicContact CZ-CD1 3.99Å; F360-F388 HydrophobicContact CZ-CE1 4.22Å; V386-F388 HydrophobicContact CB-CE2 3.91Å; V386-F388 HydrophobicContact CB-CZ 3.97Å; V386-F388 HydrophobicContact CG1-CD1 4.37Å; V386-F388 HydrophobicContact CG1-CD2 4.28Å; V386-F388 HydrophobicContact CG1-CE1 3.82Å; V386-F388 HydrophobicContact CG1-CE2 3.72Å; V386-F388 HydrophobicContact CG1-CZ 3.45Å; V386-F388 VanDerWaalsContact CG1-CZ 3.45Å; F388-Q404 CarbonylContact O-C 3.51Å; F388-Q404 WeakPolarHBondContact O-CA 3.38Å; F388-A405 PolarHBondContact N-O 3.46Å; F388-A405 PolarHBondContact O-N 2.83Å
389S95.1Very high84.2Confident22 Ų2241.6 Ų41.615%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-125.4137.5178.7-64.10000110.9V311 R312 L403V311-S389 WeakPolarHBondContact CA-O 3.23Å; R312-S389 PolarHBondContact N-O 3.24Å; R312-S389 PolarHBondContact O-N 2.85Å; S389-L403 WeakPolarHBondContact CA-O 3.38Å
390A92.9Very high83.9Confident2 Ų244.9 Ų44.92%0.01728%0.281CS..EExtended strand (participates in β ladder)trans-145.1145.6174.100000110.8F273 V311 L403F273-A390 HydrophobicContact CZ-CB 4.32Å; V311-A390 HydrophobicContact CB-CB 4.5Å; V311-A390 HydrophobicContact CG2-CB 4.11Å; A390-L403 HydrophobicContact CB-CB 4.48Å; A390-L403 PolarHBondContact N-O 3.17Å; A390-L403 PolarHBondContact O-N 3.16Å
391S88.5Confident83.6Confident66 Ų6645.2 Ų45.246%0.46228%0.282SS..EExtended strand (participates in β ladder)trans-122.4135.6-179.5-40.20000110.7I401 Q402S391-I401 WeakPolarHBondContact CA-O 3.32Å; S391-Q402 VanDerWaalsContact OG-CD 3.29Å; S391-Q402 PolarHBondContact OG-NE2 2.82Å; S391-Q402 VanDerWaalsContact OG-NE2 3.15Å; S391-Q402 PolarHBondContact OG-OE1 2.97Å
392F86.3Confident83.4Confident21 Ų2149.4 Ų49.49%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-150.2161.8171.576.1-76.5000111.4V269 F295 F301 L302 P309 L394 I401 L403V269-F392 HydrophobicContact CG1-CE1 4.4Å; V269-F392 HydrophobicContact CG1-CZ 4.05Å; F295-F392 HydrophobicContact CE1-CE1 4.35Å; F295-F392 HydrophobicContact CE1-CZ 4.1Å; F295-F392 HydrophobicContact CZ-CE1 4.3Å; F295-F392 HydrophobicContact CZ-CZ 4Å; F301-F392 HydrophobicContact CB-CE2 4.14Å; L302-F392 HydrophobicContact CD2-CB 4.04Å; L302-F392 HydrophobicContact CD2-CD2 3.57Å; L302-F392 HydrophobicContact CD2-CE2 4.14Å; L302-F392 HydrophobicContact CD2-CG 3.84Å; P309-F392 HydrophobicContact CB-CB 4.4Å; F392-L394 HydrophobicContact CE2-CB 4.22Å; F392-L394 HydrophobicContact CE2-CD1 4.21Å; F392-I401 HydrophobicContact CE1-CB 4.2Å; F392-I401 HydrophobicContact CE1-CG2 4.12Å; F392-I401 PolarHBondContact N-O 2.84Å; F392-I401 VanDerWaalsContact N-O 3.11Å; F392-I401 PolarHBondContact O-N 3.07Å; F392-L403 HydrophobicContact CD1-CD1 4.19Å; F392-L403 HydrophobicContact CD1-CG 4.28Å; F392-L403 HydrophobicContact CE1-CD1 3.75Å; F392-L403 HydrophobicContact CE1-CD2 4.16Å; F392-L403 HydrophobicContact CE1-CG 3.82Å
393T81.7Confident83.4Confident90 Ų9048.2 Ų48.255%0.55230%0.296SS*.EExtended strand (participates in β ladder)trans-99128.7177.152.50000111L399T393-L399 CarbonylContact C-O 3.48Å; T393-L399 WeakPolarHBondContact CA-O 3.17Å
394L72.6Confident83.4Confident21 Ų2151.7 Ų51.711%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-102.4138.4179.3-173.559.4000112.1L265 V269 F301 F392 L399 I401L265-L394 HydrophobicContact CD1-CD2 4.49Å; L265-L394 HydrophobicContact CD2-CD2 3.86Å; L265-L394 HydrophobicContact CG-CD2 4.22Å; V269-L394 HydrophobicContact CG2-CD2 4.34Å; F301-L394 HydrophobicContact CB-CD1 4.03Å; F301-L394 HydrophobicContact CD1-CD1 3.38Å; F301-L394 HydrophobicContact CD2-CD1 4.3Å; F301-L394 HydrophobicContact CE1-CD1 3.84Å; F301-L394 HydrophobicContact CG-CD1 3.65Å; F301-L394 HydrophobicContact CZ-CD1 4.45Å; F392-L394 HydrophobicContact CE2-CB 4.22Å; F392-L394 HydrophobicContact CE2-CD1 4.21Å; L394-L399 PolarHBondContact N-O 2.81Å; L394-L399 PolarHBondContact O-N 3.34Å; L394-L399 VanDerWaalsContact O-N 3.07Å; L394-I401 HydrophobicContact CB-CD1 3.69Å; L394-I401 HydrophobicContact CB-CG1 4.28Å; L394-I401 HydrophobicContact CD2-CD1 3.46Å; L394-I401 VanDerWaalsContact CD2-CD1 3.46Å; L394-I401 HydrophobicContact CG-CD1 4.22Å
395G62.7Low83.5Confident47 Ų4751.9 Ų51.949%0.48532%0.315SS..THydrogen-bonded Turntrans70.3175.3171.100000115.9G397 K398G395-G397 PolarHBondContact O-N 3.14Å; G395-K398 PolarHBondContact O-N 3.11Å; G395-K398 VanDerWaalsContact O-N 3.07Å
396P54.3Low83.5Confident140 Ų14054.5 Ų54.591%0.90933%0.328SS*.THydrogen-bonded Turntrans-64.1-25.6178.226.5-34.5000112.9K398P396-K398 PolarHBondContact O-N 3.04Å
397G58.8Low83.6Confident73 Ų7354.8 Ų54.875%0.75333%0.33SS*.THydrogen-bonded Turntrans-72.4-3.4173.400000115.1G395 L399G395-G397 PolarHBondContact O-N 3.14Å; G397-L399 VanDerWaalsContact C-N 3.27Å; G397-L399 PolarHBondContact O-N 3.37Å
398K68.6Low83.6Confident156 Ų15655.3 Ų55.368%0.67833%0.333SS*.THydrogen-bonded Turntrans5534.4179.2-56.3180-179.4175.80114.4G395 P396 P400G395-K398 PolarHBondContact O-N 3.11Å; G395-K398 VanDerWaalsContact O-N 3.07Å; P396-K398 PolarHBondContact O-N 3.04Å; K398-P400 WeakPolarHBondContact O-CD 3.34Å
399L71.7Confident83.6Confident107 Ų10755.4 Ų55.456%0.5633%0.334SS*.EExtended strand (participates in β ladder)trans-62.3118.2-177.7-175.472.5000110T393 L394 G397 I401T393-L399 CarbonylContact C-O 3.48Å; T393-L399 WeakPolarHBondContact CA-O 3.17Å; L394-L399 PolarHBondContact N-O 2.81Å; L394-L399 PolarHBondContact O-N 3.34Å; L394-L399 VanDerWaalsContact O-N 3.07Å; G397-L399 VanDerWaalsContact C-N 3.27Å; G397-L399 PolarHBondContact O-N 3.37Å; L399-I401 PolarHBondContact O-N 3.47Å
400P81.8Confident83.6Confident99 Ų9954.3 Ų54.364%0.64333%0.326SS*.EExtended strand (participates in β ladder)trans-74.9117.7179.729.4-32.8000110.3K398K398-P400 WeakPolarHBondContact O-CD 3.34Å
401I85.3Confident83.8Confident14 Ų1454.2 Ų54.27%0.07233%0.325CS..EExtended strand (participates in β ladder)trans-104.9132175.5-63.2-174.8000109.4V269 S391 F392 L394 L399 L403V269-I401 HydrophobicContact CG1-CD1 4.07Å; V269-I401 HydrophobicContact CG1-CG2 4.07Å; S391-I401 WeakPolarHBondContact CA-O 3.32Å; F392-I401 HydrophobicContact CE1-CB 4.2Å; F392-I401 HydrophobicContact CE1-CG2 4.12Å; F392-I401 PolarHBondContact N-O 2.84Å; F392-I401 VanDerWaalsContact N-O 3.11Å; F392-I401 PolarHBondContact O-N 3.07Å; L394-I401 HydrophobicContact CB-CD1 3.69Å; L394-I401 HydrophobicContact CB-CG1 4.28Å; L394-I401 HydrophobicContact CD2-CD1 3.46Å; L394-I401 VanDerWaalsContact CD2-CD1 3.46Å; L394-I401 HydrophobicContact CG-CD1 4.22Å; L399-I401 PolarHBondContact O-N 3.47Å; I401-L403 HydrophobicContact CG2-CD2 4.13Å
402Q89.3Confident84.1Confident111 Ų11151.4 Ų51.452%0.51931%0.305SS..EExtended strand (participates in β ladder)trans-96120.9167.1-62.9-63.9-1200108.9S391S391-Q402 VanDerWaalsContact OG-CD 3.29Å; S391-Q402 PolarHBondContact OG-NE2 2.82Å; S391-Q402 VanDerWaalsContact OG-NE2 3.15Å; S391-Q402 PolarHBondContact OG-OE1 2.97Å
403L92.1Very high84.5Confident0 Ų050.8 Ų50.80%030%0.303CS..EExtended strand (participates in β ladder)trans-95.1130.9166.8-61.4-178.8000108.6V269 F273 F295 S389 A390 F392 I401V269-L403 HydrophobicContact CG1-CD2 3.95Å; F273-L403 HydrophobicContact CB-CB 4.17Å; F273-L403 HydrophobicContact CB-CD1 4.23Å; F273-L403 HydrophobicContact CB-CD2 4.32Å; F273-L403 HydrophobicContact CB-CG 4.48Å; F273-L403 HydrophobicContact CD1-CB 3.68Å; F273-L403 HydrophobicContact CD2-CB 4.45Å; F273-L403 HydrophobicContact CD2-CD1 4.03Å; F273-L403 HydrophobicContact CE1-CB 4.1Å; F273-L403 HydrophobicContact CG-CB 3.87Å; F273-L403 HydrophobicContact CG-CD1 4.1Å; F273-L403 HydrophobicContact CG-CG 4.49Å; F295-L403 HydrophobicContact CD1-CD1 4.26Å; F295-L403 HydrophobicContact CD2-CD1 3.87Å; F295-L403 HydrophobicContact CE1-CD1 4.35Å; F295-L403 HydrophobicContact CE2-CD1 3.97Å; F295-L403 HydrophobicContact CE2-CD2 4.3Å; F295-L403 HydrophobicContact CG-CD1 4.06Å; F295-L403 HydrophobicContact CZ-CD1 4.22Å; S389-L403 WeakPolarHBondContact CA-O 3.38Å; A390-L403 HydrophobicContact CB-CB 4.48Å; A390-L403 PolarHBondContact N-O 3.17Å; A390-L403 PolarHBondContact O-N 3.16Å; F392-L403 HydrophobicContact CD1-CD1 4.19Å; F392-L403 HydrophobicContact CD1-CG 4.28Å; F392-L403 HydrophobicContact CE1-CD1 3.75Å; F392-L403 HydrophobicContact CE1-CD2 4.16Å; F392-L403 HydrophobicContact CE1-CG 3.82Å; I401-L403 HydrophobicContact CG2-CD2 4.13Å
404Q94Very high85Confident97 Ų9749.8 Ų49.845%0.45330%0.296SS..EExtended strand (participates in β ladder)trans-134.8131.9175-73.6-173.6-24.100109.9L387 F388L387-Q404 HydrophobicContact CD1-CB 4.22Å; F388-Q404 CarbonylContact O-C 3.51Å; F388-Q404 WeakPolarHBondContact O-CA 3.38Å
405A95.3Very high86Confident9 Ų953.8 Ų53.87%0.07432%0.315CS..EExtended strand (participates in β ladder)trans-135.6130.2175.600000109.7F273 V275 F388F273-A405 HydrophobicContact CD1-CB 3.48Å; F273-A405 VanDerWaalsContact CD1-CB 3.48Å; F273-A405 HydrophobicContact CE1-CB 3.86Å; F273-A405 HydrophobicContact CG-CB 4.27Å; V275-A405 HydrophobicContact CG2-CB 4.16Å; F388-A405 PolarHBondContact N-O 3.46Å; F388-A405 PolarHBondContact O-N 2.83Å
406L95.1Very high87.4Confident56 Ų5652.7 Ų52.729%0.29330%0.303SS..EExtended strand (participates in β ladder)trans-97.1139.9178.1-162.465.8000109.6V316 A321 A385 L387 P439 F440V316-L406 HydrophobicContact CG2-CD1 3.65Å; A321-L406 HydrophobicContact CB-CD2 3.89Å; A385-L406 HydrophobicContact CB-CD1 3.71Å; A385-L406 HydrophobicContact CB-CD2 4.48Å; A385-L406 HydrophobicContact CB-CG 3.88Å; L387-L406 HydrophobicContact CB-CD1 4.25Å; L387-L406 HydrophobicContact CD1-CD1 4.34Å; L406-P439 HydrophobicContact CD2-CG 4.5Å; L406-F440 HydrophobicContact CD2-CE1 4.05Å; L406-F440 HydrophobicContact CD2-CZ 3.76Å; L406-F440 HydrophobicContact CG-CZ 4.42Å
407S96.7Very high89.1Confident6 Ų651.6 Ų51.64%0.04229%0.289CS..PPolyproline II helixtrans-66.4167.7168.273.30000111.6A385 V386A385-S407 WeakPolarHBondContact CB-OG 3.25Å; V386-S407 PolarHBondContact N-OG 2.97Å; V386-S407 PolarHBondContact O-N 2.93Å
408L96.4Very high90.8Very high24 Ų2449.5 Ų49.513%0.12626%0.26CS..PPolyproline II helixtrans-55.4153.1157.3-67177.4000110Q209 Q278 Q281Q209-L408 HydrophobicContact CB-CD1 4.25Å; Q209-L408 HydrophobicContact CB-CD2 3.88Å; Q209-L408 HydrophobicContact CG-CD1 4.29Å; Q209-L408 HydrophobicContact CG-CD2 3.81Å; Q278-L408 HydrophobicContact CG-CD1 4Å; Q278-L408 HydrophobicContact CG-CG 4.19Å; Q281-L408 HydrophobicContact CG-CB 4.41Å
409P95.6Very high92.1Very high2 Ų244.6 Ų44.61%0.01324%0.241CC..PPolyproline II helixtrans-60.4142.5174.422.5-30.3000110.9Q281 K383 C384 I426 D429 F440Q281-P409 PolarHBondContact NE2-O 3.36Å; K383-P409 HydrophobicContact CB-CB 4.36Å; K383-P409 HydrophobicContact CD-CB 4.4Å; C384-P409 CarbonylContact O-C 3.55Å; C384-P409 WeakPolarHBondContact O-CA 3.27Å; P409-I426 WeakPolarHBondContact O-CD1 3.14Å; P409-D429 WeakPolarHBondContact CG-OD1 3.31Å; P409-F440 HydrophobicContact CB-CB 4.37Å; P409-F440 HydrophobicContact CB-CD1 3.68Å; P409-F440 HydrophobicContact CB-CD2 4.09Å; P409-F440 HydrophobicContact CB-CE1 3.89Å; P409-F440 HydrophobicContact CB-CE2 4.29Å; P409-F440 HydrophobicContact CB-CG 3.79Å; P409-F440 HydrophobicContact CB-CZ 4.2Å; P409-F440 HydrophobicContact CG-CD1 3.72Å; P409-F440 HydrophobicContact CG-CE1 4.12Å; P409-F440 HydrophobicContact CG-CG 4.17Å
410L96.1Very high93.2Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-132.2151.1177.865.485.1000110.6P279 Q281 L283 M315 C384 V386 V412P279-L410 HydrophobicContact CB-CD2 4.3Å; P279-L410 HydrophobicContact CG-CD2 3.8Å; Q281-L410 CarbonylContact O-C 3.51Å; Q281-L410 WeakPolarHBondContact O-CA 3.01Å; Q281-L410 WeakPolarHBondContact O-CB 3.44Å; L283-L410 HydrophobicContact CB-CD1 4.21Å; L283-L410 HydrophobicContact CD2-CD1 4.22Å; M315-L410 HydrophobicContact CE-CD1 4.41Å; M315-L410 HydrophobicContact SD-CD1 4.41Å; C384-L410 HydrophobicContact CB-CD1 4.18Å; C384-L410 PolarHBondContact N-O 2.93Å; C384-L410 PolarHBondContact O-N 3.35Å; V386-L410 HydrophobicContact CG2-CD2 4.1Å; L410-V412 HydrophobicContact CD1-CG2 3.51Å
411V96.6Very high93.9Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-108.4129.8175.91740000109Q281 L283 T380 I413 A422 T425 I426Q281-V411 PolarHBondContact O-N 3.27Å; L283-V411 PolarHBondContact N-O 3.44Å; T380-V411 WeakPolarHBondContact O-CG1 3.29Å; V411-I413 HydrophobicContact CG1-CG2 4.35Å; V411-A422 HydrophobicContact CB-CB 4.02Å; V411-A422 HydrophobicContact CG1-CB 3.64Å; V411-T425 HydrophobicContact CG2-CG2 3.94Å; V411-I426 HydrophobicContact CG2-CD1 3.98Å; V411-I426 HydrophobicContact CG2-CG1 4.32Å
412V95.2Very high94.5Very high6 Ų637.3 Ų37.34%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-98.3106.2-177-177.50000111.7L283 T285 L365 I368 R370 L410L283-V412 CarbonylContact O-C 3.49Å; L283-V412 WeakPolarHBondContact O-CA 3.46Å; T285-V412 HydrophobicContact CG2-CG1 3.64Å; L365-V412 HydrophobicContact CD2-CB 4.49Å; L365-V412 HydrophobicContact CD2-CG1 3.61Å; L365-V412 HydrophobicContact CD2-CG2 3.98Å; I368-V412 HydrophobicContact CD1-CB 4.16Å; I368-V412 HydrophobicContact CD1-CG1 4.42Å; I368-V412 HydrophobicContact CD1-CG2 3.81Å; I368-V412 HydrophobicContact CG2-CG1 3.94Å; R370-V412 PolarHBondContact NH2-O 2.95Å; L410-V412 HydrophobicContact CD1-CG2 3.51Å
413I95.2Very high94.9Very high8 Ų834.3 Ų34.34%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-94.8153178.164.9171000111.9V282 L283 K284 T285 V411 Q418 D419 A422V282-I413 HydrophobicContact CG1-CD1 3.7Å; V282-I413 HydrophobicContact CG1-CG1 4.11Å; V282-I413 HydrophobicContact CG1-CG2 4.18Å; L283-I413 PolarHBondContact O-N 2.57Å; K284-I413 CarbonylContact C-O 3.6Å; K284-I413 WeakPolarHBondContact CA-O 3.42Å; K284-I413 HydrophobicContact CB-CD1 4.37Å; K284-I413 HydrophobicContact CB-CG1 3.98Å; K284-I413 HydrophobicContact CG-CG1 4.33Å; T285-I413 PolarHBondContact N-O 3.37Å; V411-I413 HydrophobicContact CG1-CG2 4.35Å; I413-Q418 HydrophobicContact CB-CB 3.89Å; I413-Q418 HydrophobicContact CG2-CB 3.59Å; I413-D419 HydrophobicContact CD1-CB 4.17Å; I413-A422 HydrophobicContact CG2-CB 3.74Å
414V92.6Very high95.1Very high69 Ų6934.3 Ų34.342%0.41818%0.183SC..SBendtrans-102.6-30.2171.4-66.60000112.2K284 T285 Q418K284-V414 VanDerWaalsContact CE-O 3.3Å; K284-V414 WeakPolarHBondContact CE-O 3.49Å; T285-V414 HydrophobicContact CG2-CG1 4.07Å; V414-Q418 VanDerWaalsContact CG2-OE1 3.29Å
415H91.9Very high95.3Very high106 Ų10630 Ų3049%0.49116%0.163SC..SBendtrans-137.4154.7-174.9-168.8-104.2000112.9N417 Q418H415-N417 VanDerWaalsContact C-N 3.31Å; H415-N417 WeakPolarHBondContact CB-OD1 3.36Å; H415-N417 PolarHBondContact ND1-OD1 3.42Å; H415-N417 PolarHBondContact O-N 2.95Å; H415-Q418 WeakPolarHBondContact O-CB 3.31Å; H415-Q418 PolarHBondContact O-N 3Å; H415-Q418 VanDerWaalsContact O-N 3.1Å
416G91.8Very high95.4Very high23 Ų2330.2 Ų30.224%0.23716%0.163CC..G310 helixtrans-65.3-27.5-170.400000114.7Q418 D419G416-Q418 PolarHBondContact O-N 3.15Å; G416-Q418 VanDerWaalsContact O-N 3.13Å; G416-D419 WeakPolarHBondContact O-CB 3.49Å; G416-D419 PolarHBondContact O-N 3.22Å; G416-D419 VanDerWaalsContact O-N 3.09Å
417N91.5Very high95.5Very high117 Ų11727.7 Ų27.763%0.62615%0.15SC*.G310 helixtrans-65.4-11.3174.365.5-21.8000114.1H415H415-N417 VanDerWaalsContact C-N 3.31Å; H415-N417 WeakPolarHBondContact CB-OD1 3.36Å; H415-N417 PolarHBondContact ND1-OD1 3.42Å; H415-N417 PolarHBondContact O-N 2.95Å
418Q94.7Very high95.6Very high30 Ų3027.7 Ų27.714%0.1415%0.149CC..G310 helixtrans-88.3-17.4174.5-56.5-172.4-68.200113.1T380 I413 V414 H415 G416 N420 N421 A422T380-Q418 HydrophobicContact CG2-CB 3.86Å; T380-Q418 HydrophobicContact CG2-CG 4.4Å; I413-Q418 HydrophobicContact CB-CB 3.89Å; I413-Q418 HydrophobicContact CG2-CB 3.59Å; V414-Q418 VanDerWaalsContact CG2-OE1 3.29Å; H415-Q418 WeakPolarHBondContact O-CB 3.31Å; H415-Q418 PolarHBondContact O-N 3Å; H415-Q418 VanDerWaalsContact O-N 3.1Å; G416-Q418 PolarHBondContact O-N 3.15Å; G416-Q418 VanDerWaalsContact O-N 3.13Å; Q418-N420 PolarHBondContact O-N 2.94Å; Q418-N421 PolarHBondContact O-N 2.77Å; Q418-A422 WeakPolarHBondContact O-CB 3.39Å; Q418-A422 PolarHBondContact O-N 2.93Å
419D95Very high95.6Very high53 Ų5326.5 Ų26.528%0.28314%0.143SC..Hα-helixtrans-55.5-47.8-174.4173.369000112.4I413 G416 N421 A422 K423I413-D419 HydrophobicContact CD1-CB 4.17Å; G416-D419 WeakPolarHBondContact O-CB 3.49Å; G416-D419 PolarHBondContact O-N 3.22Å; G416-D419 VanDerWaalsContact O-N 3.09Å; D419-N421 PolarHBondContact O-N 2.93Å; D419-A422 PolarHBondContact O-N 3.35Å; D419-K423 WeakPolarHBondContact O-CB 3.35Å; D419-K423 WeakPolarHBondContact O-CG 3.32Å; D419-K423 PolarHBondContact O-N 3.1Å; D419-K423 WeakPolarHBondContact OD2-CE 3.37Å; D419-K423 IonicContact OD2-NZ 3.72Å; D419-K423 PolarHBondContact OD2-NZ 3.22Å
420N95.3Very high95.6Very high30 Ų3026.4 Ų26.416%0.1614%0.142CC..Hα-helixtrans-54-51177173.8-86.8000112.8Q418 K423 A424 W515 Q516 D519Q418-N420 PolarHBondContact O-N 2.94Å; N420-K423 WeakPolarHBondContact O-CB 3.25Å; N420-K423 PolarHBondContact O-N 3.41Å; N420-A424 PolarHBondContact O-N 3.39Å; N420-W515 PolarHBondContact O-NE1 3.07Å; N420-Q516 WeakPolarHBondContact OD1-CG 3.41Å; N420-D519 VanDerWaalsContact ND2-CB 3.27Å; N420-D519 WeakPolarHBondContact ND2-CB 3.35Å; N420-D519 PolarHBondContact ND2-OD2 3.34Å
421N96.4Very high95.5Very high36 Ų3626.7 Ų26.719%0.19314%0.144CC..Hα-helixtrans-73-30.6-178.8-69.1-65.6000112.3T380 Q418 D419 A424 T425 N503 Q516T380-N421 HydrophobicContact CG2-CB 4.06Å; T380-N421 WeakPolarHBondContact OG1-CB 3.24Å; Q418-N421 PolarHBondContact O-N 2.77Å; D419-N421 PolarHBondContact O-N 2.93Å; N421-A424 WeakPolarHBondContact O-CB 3.45Å; N421-A424 PolarHBondContact O-N 2.91Å; N421-T425 PolarHBondContact O-N 2.91Å; N421-T425 PolarHBondContact O-OG1 3.14Å; N421-N503 PolarHBondContact OD1-ND2 3.39Å; N421-N503 PolarHBondContact OD1-OD1 2.84Å; N421-Q516 PolarHBondContact OD1-NE2 3.42Å
422A97.2Very high95.5Very high0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-68.3-41.3173.400000111.9V282 V411 I413 Q418 D419 A424 T425 I426V282-A422 HydrophobicContact CB-CB 4.43Å; V282-A422 HydrophobicContact CG1-CB 3.74Å; V282-A422 HydrophobicContact CG2-CB 3.84Å; V411-A422 HydrophobicContact CB-CB 4.02Å; V411-A422 HydrophobicContact CG1-CB 3.64Å; I413-A422 HydrophobicContact CG2-CB 3.74Å; Q418-A422 WeakPolarHBondContact O-CB 3.39Å; Q418-A422 PolarHBondContact O-N 2.93Å; D419-A422 PolarHBondContact O-N 3.35Å; A422-A424 PolarHBondContact O-N 3.02Å; A422-T425 WeakPolarHBondContact O-CB 3.27Å; A422-T425 PolarHBondContact O-N 3.1Å; A422-I426 WeakPolarHBondContact O-CG1 3.12Å; A422-I426 PolarHBondContact O-N 3.37Å; A422-I426 VanDerWaalsContact O-N 3.08Å
423K97.2Very high95.3Very high48 Ų4827.1 Ų27.121%0.20915%0.146CC..Hα-helixtrans-57-36.8171.7-75.4162.7168.2165.70112.2V282 D419 N420 I426 L427 W515 D519V282-K423 HydrophobicContact CG2-CG 4.26Å; D419-K423 WeakPolarHBondContact O-CB 3.35Å; D419-K423 WeakPolarHBondContact O-CG 3.32Å; D419-K423 PolarHBondContact O-N 3.1Å; D419-K423 WeakPolarHBondContact OD2-CE 3.37Å; D419-K423 IonicContact OD2-NZ 3.72Å; D419-K423 PolarHBondContact OD2-NZ 3.22Å; N420-K423 WeakPolarHBondContact O-CB 3.25Å; N420-K423 PolarHBondContact O-N 3.41Å; K423-I426 PolarHBondContact O-N 3.26Å; K423-L427 VanDerWaalsContact O-CB 3.27Å; K423-L427 WeakPolarHBondContact O-CB 3.38Å; K423-L427 PolarHBondContact O-N 3.27Å; K423-W515 HydrophobicContact CB-CZ2 3.95Å; K423-D519 IonicContact NZ-OD1 2.73Å; K423-D519 IonicContact NZ-OD2 3.68Å
424A97.8Very high94.9Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-59.2-49.5176.600000111.4N420 N421 A422 I426 L427 W428 W499 F502 N503 W515N420-A424 PolarHBondContact O-N 3.39Å; N421-A424 WeakPolarHBondContact O-CB 3.45Å; N421-A424 PolarHBondContact O-N 2.91Å; A422-A424 PolarHBondContact O-N 3.02Å; A424-I426 VanDerWaalsContact C-N 3.33Å; A424-I426 PolarHBondContact O-N 2.95Å; A424-L427 PolarHBondContact O-N 3.11Å; A424-W428 WeakPolarHBondContact O-CB 3.43Å; A424-W428 PolarHBondContact O-N 3.39Å; A424-W499 HydrophobicContact CB-CH2 3.72Å; A424-W499 HydrophobicContact CB-CZ3 4Å; A424-F502 HydrophobicContact CB-CE1 4.18Å; A424-N503 HydrophobicContact CB-CB 3.97Å; A424-N503 WeakPolarHBondContact CB-ND2 3.5Å; A424-W515 VanDerWaalsContact CB-CD1 3.43Å; A424-W515 HydrophobicContact CB-CD2 4.3Å; A424-W515 HydrophobicContact CB-CG 3.84Å
425T97.6Very high94Very high8 Ų833 Ų335%0.04917%0.17CC..Hα-helixtrans-60.9-43.5179.6-51.20000111T380 K383 V411 N421 A422 D429T380-T425 WeakPolarHBondContact O-CB 3.38Å; T380-T425 PolarHBondContact O-OG1 3.19Å; K383-T425 HydrophobicContact CG-CG2 4.42Å; V411-T425 HydrophobicContact CG2-CG2 3.94Å; N421-T425 PolarHBondContact O-N 2.91Å; N421-T425 PolarHBondContact O-OG1 3.14Å; A422-T425 WeakPolarHBondContact O-CB 3.27Å; A422-T425 PolarHBondContact O-N 3.1Å; T425-D429 VanDerWaalsContact O-CB 3.3Å; T425-D429 WeakPolarHBondContact O-CB 3.3Å; T425-D429 PolarHBondContact O-N 3.1Å
426I97.9Very high93.3Very high13 Ų1334.4 Ų34.47%0.06718%0.181CC..Hα-helixtrans-68.5-43.1178-64.8-51000112Q281 V282 P409 V411 A422 K423 A424 W428 D429 N430Q281-I426 HydrophobicContact CB-CB 4.46Å; Q281-I426 HydrophobicContact CB-CD1 3.95Å; Q281-I426 HydrophobicContact CB-CG1 3.97Å; Q281-I426 HydrophobicContact CB-CG2 3.65Å; Q281-I426 HydrophobicContact CG-CG2 4.35Å; Q281-I426 WeakPolarHBondContact O-CD1 3.36Å; Q281-I426 WeakPolarHBondContact O-CG1 3.45Å; V282-I426 HydrophobicContact CG2-CG1 4.05Å; P409-I426 WeakPolarHBondContact O-CD1 3.14Å; V411-I426 HydrophobicContact CG2-CD1 3.98Å; V411-I426 HydrophobicContact CG2-CG1 4.32Å; A422-I426 WeakPolarHBondContact O-CG1 3.12Å; A422-I426 PolarHBondContact O-N 3.37Å; A422-I426 VanDerWaalsContact O-N 3.08Å; K423-I426 PolarHBondContact O-N 3.26Å; A424-I426 VanDerWaalsContact C-N 3.33Å; A424-I426 PolarHBondContact O-N 2.95Å; I426-W428 PolarHBondContact O-N 2.98Å; I426-D429 PolarHBondContact O-N 2.98Å; I426-N430 WeakPolarHBondContact CG2-ND2 3.2Å; I426-N430 VanDerWaalsContact O-CB 3.23Å; I426-N430 WeakPolarHBondContact O-CB 3.25Å; I426-N430 PolarHBondContact O-N 3.14Å
427L97.8Very high93.1Very high3 Ų335.7 Ų35.72%0.01618%0.179CC..Hα-helixtrans-59.3-49.7177.8-173.682.6000110.7N213 K423 A424 A431 T454 K458 F502 W515N213-L427 HydrophobicContact CB-CD1 4.25Å; N213-L427 PolarHBondContact ND2-O 3.04Å; K423-L427 VanDerWaalsContact O-CB 3.27Å; K423-L427 WeakPolarHBondContact O-CB 3.38Å; K423-L427 PolarHBondContact O-N 3.27Å; A424-L427 PolarHBondContact O-N 3.11Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 3.16Å; L427-T454 HydrophobicContact CD1-CG2 4.05Å; L427-T454 HydrophobicContact CD2-CG2 4.13Å; L427-T454 HydrophobicContact CG-CG2 3.9Å; L427-K458 HydrophobicContact CD1-CB 3.9Å; L427-K458 HydrophobicContact CD1-CD 4Å; L427-K458 HydrophobicContact CD1-CG 3.79Å; L427-F502 HydrophobicContact CD2-CZ 3.86Å; L427-W515 HydrophobicContact CD2-CE3 4.18Å; L427-W515 HydrophobicContact CD2-CH2 4Å; L427-W515 HydrophobicContact CD2-CZ3 3.61Å
428W97.7Very high92.8Very high5 Ų533.8 Ų33.82%0.01917%0.171CC..Hα-helixtrans-64.1-44.6-179.4-169.7-77000111.7A424 I426 F432 A443 V446 M451 V497 S498 W499 F502A424-W428 WeakPolarHBondContact O-CB 3.43Å; A424-W428 PolarHBondContact O-N 3.39Å; I426-W428 PolarHBondContact O-N 2.98Å; W428-F432 HydrophobicContact CB-CD2 4.43Å; W428-F432 AromaticContact CD1-CD2 3.94Å; W428-F432 AromaticContact CD2-CD2 3.77Å; W428-F432 HydrophobicContact CD2-CD2 3.77Å; W428-F432 AromaticContact CD2-CE2 3.86Å; W428-F432 HydrophobicContact CD2-CE2 3.86Å; W428-F432 AromaticContact CE2-CD2 3.88Å; W428-F432 HydrophobicContact CE3-CD2 4.34Å; W428-F432 AromaticContact CE3-CE2 3.95Å; W428-F432 HydrophobicContact CE3-CE2 3.95Å; W428-F432 AromaticContact CG-CD2 3.82Å; W428-F432 HydrophobicContact CG-CD2 3.82Å; W428-F432 HydrophobicContact CG-CE2 4.17Å; W428-F432 HydrophobicContact CZ2-CD2 4.5Å; W428-F432 HydrophobicContact CZ3-CE2 4.44Å; W428-F432 AromaticContact NE1-CD2 3.97Å; W428-F432 WeakPolarHBondContact O-CD2 3.42Å; W428-F432 PolarHBondContact O-N 2.91Å; W428-A443 PolarHBondContact NE1-O 2.97Å; W428-V446 HydrophobicContact CH2-CG2 3.78Å; W428-V446 HydrophobicContact CZ2-CG1 3.99Å; W428-V446 HydrophobicContact CZ2-CG2 4.02Å; W428-V446 HydrophobicContact CZ3-CG2 4.38Å; W428-M451 HydrophobicContact CE3-CE 3.59Å; W428-M451 HydrophobicContact CH2-CE 4.16Å; W428-M451 HydrophobicContact CZ3-CE 3.29Å; W428-V497 HydrophobicContact CH2-CG1 4.41Å; W428-S498 VanDerWaalsContact CH2-C 3.4Å; W428-W499 HydrophobicContact CB-CE3 4.02Å; W428-W499 HydrophobicContact CB-CZ3 3.9Å; W428-W499 HydrophobicContact CD2-CB 4.47Å; W428-W499 AromaticContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CZ3 4.42Å; W428-W499 AromaticContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CZ3 4.4Å; W428-W499 AromaticContact CG-CE3 3.82Å; W428-W499 HydrophobicContact CG-CE3 3.82Å; W428-W499 HydrophobicContact CG-CZ3 4.23Å; W428-W499 HydrophobicContact CH2-CB 4.28Å; W428-W499 VanDerWaalsContact CH2-N 3.25Å; W428-W499 HydrophobicContact CZ2-CB 3.99Å; W428-W499 HydrophobicContact CZ3-CE3 4.48Å; W428-F502 HydrophobicContact CE3-CB 4.13Å; W428-F502 AromaticContact CE3-CD1 3.77Å; W428-F502 HydrophobicContact CE3-CD1 3.77Å; W428-F502 HydrophobicContact CE3-CE1 4.31Å; W428-F502 AromaticContact CE3-CG 3.91Å; W428-F502 HydrophobicContact CE3-CG 3.91Å; W428-F502 HydrophobicContact CZ3-CB 3.66Å; W428-F502 HydrophobicContact CZ3-CD1 4.17Å; W428-F502 HydrophobicContact CZ3-CD2 4.4Å; W428-F502 AromaticContact CZ3-CG 3.84Å; W428-F502 HydrophobicContact CZ3-CG 3.84Å
429D97Very high92.5Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-62.2-53.5175.7-168.4-82.1000111.6Q209 K383 P409 T425 I426 A431 F432 S433 R437Q209-D429 PolarHBondContact NE2-OD1 2.95Å; K383-D429 IonicContact NZ-OD2 2.78Å; K383-D429 PolarHBondContact NZ-OD2 2.89Å; P409-D429 WeakPolarHBondContact CG-OD1 3.31Å; T425-D429 VanDerWaalsContact O-CB 3.3Å; T425-D429 WeakPolarHBondContact O-CB 3.3Å; T425-D429 PolarHBondContact O-N 3.1Å; I426-D429 PolarHBondContact O-N 2.98Å; D429-A431 VanDerWaalsContact C-N 3.27Å; D429-A431 PolarHBondContact O-N 3.29Å; D429-F432 PolarHBondContact O-N 2.93Å; D429-S433 WeakPolarHBondContact O-CB 3.22Å; D429-S433 PolarHBondContact O-N 2.81Å; D429-S433 VanDerWaalsContact O-N 3.11Å; D429-S433 PolarHBondContact O-OG 3.14Å; D429-S433 PolarHBondContact OD1-OG 3.38Å; D429-R437 IonicContact OD1-CZ 2.84Å; D429-R437 IonicContact OD1-NH1 2.75Å; D429-R437 PolarHBondContact OD1-NH1 3.06Å; D429-R437 IonicContact OD1-NH2 3Å; D429-R437 PolarHBondContact OD1-NH2 2.88Å; D429-R437 IonicContact OD2-CZ 2.72Å; D429-R437 IonicContact OD2-NH1 3.99Å; D429-R437 PolarHBondContact OD2-NH1 3.11Å; D429-R437 IonicContact OD2-NH2 3.94Å; D429-R437 PolarHBondContact OD2-NH2 3.47Å
430N96Very high92.3Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-60.4-35.4-179.5-78.1-11.3000112.9R206 Q209 N213 Q281 I426R206-N430 PolarHBondContact NH1-O 3.26Å; Q209-N430 HydrophobicContact CG-CB 4.03Å; Q209-N430 WeakPolarHBondContact CG-OD1 3.45Å; N213-N430 VanDerWaalsContact CG-CB 3.45Å; N213-N430 WeakPolarHBondContact ND2-CB 3.49Å; N213-N430 WeakPolarHBondContact OD1-CB 3.3Å; N213-N430 PolarHBondContact OD1-ND2 2.97Å; N213-N430 VanDerWaalsContact OD1-ND2 3.1Å; Q281-N430 PolarHBondContact NE2-OD1 2.94Å; Q281-N430 PolarHBondContact OE1-ND2 2.93Å; Q281-N430 PolarHBondContact OE1-OD1 2.77Å; I426-N430 WeakPolarHBondContact CG2-ND2 3.2Å; I426-N430 VanDerWaalsContact O-CB 3.23Å; I426-N430 WeakPolarHBondContact O-CB 3.25Å; I426-N430 PolarHBondContact O-N 3.14Å
431A94.1Very high92.1Very high6 Ų633.3 Ų33.35%0.0517%0.173CC..Hα-helixtrans-74.6-45.5179.900000112.1R206 N213 L427 D429 T454R206-A431 PolarHBondContact NH2-O 2.93Å; N213-A431 PolarHBondContact ND2-N 2.87Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 3.16Å; D429-A431 VanDerWaalsContact C-N 3.27Å; D429-A431 PolarHBondContact O-N 3.29Å; A431-T454 HydrophobicContact CB-CG2 3.66Å
432F94.8Very high92Very high13 Ų1333.4 Ų33.46%0.05717%0.174CC..Hα-helixtrans-116.221.3-162.7-44-55.2000114.3W428 D429 V442 V446 K450 M451 T454W428-F432 HydrophobicContact CB-CD2 4.43Å; W428-F432 AromaticContact CD1-CD2 3.94Å; W428-F432 AromaticContact CD2-CD2 3.77Å; W428-F432 HydrophobicContact CD2-CD2 3.77Å; W428-F432 AromaticContact CD2-CE2 3.86Å; W428-F432 HydrophobicContact CD2-CE2 3.86Å; W428-F432 AromaticContact CE2-CD2 3.88Å; W428-F432 HydrophobicContact CE3-CD2 4.34Å; W428-F432 AromaticContact CE3-CE2 3.95Å; W428-F432 HydrophobicContact CE3-CE2 3.95Å; W428-F432 AromaticContact CG-CD2 3.82Å; W428-F432 HydrophobicContact CG-CD2 3.82Å; W428-F432 HydrophobicContact CG-CE2 4.17Å; W428-F432 HydrophobicContact CZ2-CD2 4.5Å; W428-F432 HydrophobicContact CZ3-CE2 4.44Å; W428-F432 AromaticContact NE1-CD2 3.97Å; W428-F432 WeakPolarHBondContact O-CD2 3.42Å; W428-F432 PolarHBondContact O-N 2.91Å; D429-F432 PolarHBondContact O-N 2.93Å; F432-V442 HydrophobicContact CB-CG2 3.94Å; F432-V446 HydrophobicContact CB-CG1 3.89Å; F432-V446 HydrophobicContact CD1-CB 4.38Å; F432-V446 HydrophobicContact CD1-CG1 4.05Å; F432-V446 HydrophobicContact CD1-CG2 4.49Å; F432-V446 HydrophobicContact CD2-CG1 3.83Å; F432-V446 HydrophobicContact CD2-CG2 4.19Å; F432-V446 HydrophobicContact CE1-CG2 4.24Å; F432-V446 HydrophobicContact CE2-CG1 4.4Å; F432-V446 HydrophobicContact CE2-CG2 3.91Å; F432-V446 HydrophobicContact CG-CB 4.39Å; F432-V446 HydrophobicContact CG-CG1 3.64Å; F432-V446 HydrophobicContact CG-CG2 4.48Å; F432-V446 HydrophobicContact CZ-CG2 3.95Å; F432-K450 HydrophobicContact CE1-CB 3.99Å; F432-M451 HydrophobicContact CE2-CE 3.63Å; F432-M451 HydrophobicContact CZ-CE 3.74Å; F432-M451 HydrophobicContact CZ-SD 4.33Å; F432-T454 HydrophobicContact CZ-CG2 4.33Å
433S92.1Very high91.8Very high1 Ų135.7 Ų35.71%0.00719%0.193CC..  trans-76.8119.5170.9-70.20000112.6R206 Q209 D429 R437R206-S433 PolarHBondContact NE-O 2.64Å; R206-S433 VanDerWaalsContact NE-O 3.14Å; R206-S433 PolarHBondContact NH2-O 2.88Å; Q209-S433 PolarHBondContact NE2-OG 2.73Å; D429-S433 WeakPolarHBondContact O-CB 3.22Å; D429-S433 PolarHBondContact O-N 2.81Å; D429-S433 VanDerWaalsContact O-N 3.11Å; D429-S433 PolarHBondContact O-OG 3.14Å; D429-S433 PolarHBondContact OD1-OG 3.38Å; S433-R437 PolarHBondContact OG-NE 2.97Å; S433-R437 PolarHBondContact OG-NH1 3.22Å; S433-R437 VanDerWaalsContact OG-NH1 3.15Å; S433-R437 PolarHBondContact OG-NH2 3.3Å
434E86.4Confident91.7Very high120 Ų12040.1 Ų40.156%0.56122%0.215SC*.  trans-63.7144.9161.7-61.5-58.9154.500111R437E434-R437 HydrophobicContact CB-CB 4.45Å; E434-R437 WeakPolarHBondContact O-CB 3.47Å; E434-R437 VanDerWaalsContact O-CG 3.24Å; E434-R437 WeakPolarHBondContact O-CG 3.18Å
435M74.7Confident91.6Very high82 Ų8247.2 Ų47.240%0.40424%0.241SC..THydrogen-bonded Turntrans-64.8-45.8-171.4-73.1-178.1-7100113.9R206 R437R206-M435 HydrophobicContact CB-CG 4.06Å; R206-M435 HydrophobicContact CB-SD 4.09Å; R206-M435 HydrophobicContact CG-CG 3.96Å; R206-M435 HydrophobicContact CG-SD 4.22Å; M435-R437 VanDerWaalsContact C-N 3.32Å; M435-R437 PolarHBondContact O-N 2.86Å
436D77Confident91.5Very high134 Ų13447.1 Ų47.172%0.71724%0.241SC*.THydrogen-bonded Turntrans-9930.3-175.5-58.3-57.3000112.1Q202Q202-D436 PolarHBondContact NE2-OD1 3.36Å
437R86.2Confident91.4Very high51 Ų5149 Ų4919%0.19225%0.254CS..PPolyproline II helixtrans-67.8155.3179.568.1172.6175.1161.1-3.9113D429 S433 E434 M435 F440 V441D429-R437 IonicContact OD1-CZ 2.84Å; D429-R437 IonicContact OD1-NH1 2.75Å; D429-R437 PolarHBondContact OD1-NH1 3.06Å; D429-R437 IonicContact OD1-NH2 3Å; D429-R437 PolarHBondContact OD1-NH2 2.88Å; D429-R437 IonicContact OD2-CZ 2.72Å; D429-R437 IonicContact OD2-NH1 3.99Å; D429-R437 PolarHBondContact OD2-NH1 3.11Å; D429-R437 IonicContact OD2-NH2 3.94Å; D429-R437 PolarHBondContact OD2-NH2 3.47Å; S433-R437 PolarHBondContact OG-NE 2.97Å; S433-R437 PolarHBondContact OG-NH1 3.22Å; S433-R437 VanDerWaalsContact OG-NH1 3.15Å; S433-R437 PolarHBondContact OG-NH2 3.3Å; E434-R437 HydrophobicContact CB-CB 4.45Å; E434-R437 WeakPolarHBondContact O-CB 3.47Å; E434-R437 VanDerWaalsContact O-CG 3.24Å; E434-R437 WeakPolarHBondContact O-CG 3.18Å; M435-R437 VanDerWaalsContact C-N 3.32Å; M435-R437 PolarHBondContact O-N 2.86Å; R437-F440 VanDerWaalsContact NH1-C 3.27Å; R437-F440 PolarHBondContact NH1-O 2.86Å; R437-V441 WeakPolarHBondContact CD-O 3.42Å; R437-V441 PolarHBondContact NH1-O 2.79Å
438V87Confident91.3Very high77 Ų7749.4 Ų49.447%0.46726%0.255SS..SBendtrans-68.9125.9159.8179.10000109R322 F440 V441R322-V438 HydrophobicContact CB-CG1 4.45Å; R322-V438 HydrophobicContact CG-CG1 3.85Å; V438-F440 PolarHBondContact O-N 2.91Å; V438-V441 HydrophobicContact CB-CG2 4.39Å; V438-V441 WeakPolarHBondContact O-CG2 3.39Å; V438-V441 PolarHBondContact O-N 2.94Å
439P87.9Confident91Very high21 Ų2152.8 Ų52.814%0.13627%0.271CS..THydrogen-bonded Turntrans-55.2130.5177-27.936.3000112A321 R322 S325 L406A321-P439 HydrophobicContact CB-CB 3.81Å; R322-P439 WeakPolarHBondContact CG-O 3.34Å; R322-P439 PolarHBondContact NE-O 2.64Å; R322-P439 PolarHBondContact NH2-O 2.99Å; S325-P439 WeakPolarHBondContact OG-CD 3.47Å; L406-P439 HydrophobicContact CD2-CG 4.5Å
440F90.3Very high90.7Very high8 Ų854.4 Ų54.44%0.03528%0.278CS..THydrogen-bonded Turncis-119.654.1-12.4-60-71.2000108.7E318 A321 K383 A385 L406 P409 R437 V438 V442E318-F440 HydrophobicContact CB-CD2 3.89Å; E318-F440 HydrophobicContact CB-CE2 4.39Å; E318-F440 HydrophobicContact CG-CB 4.46Å; E318-F440 HydrophobicContact CG-CD2 3.81Å; E318-F440 PolarHBondContact OE1-N 2.76Å; A321-F440 HydrophobicContact CB-CE2 3.93Å; A321-F440 HydrophobicContact CB-CZ 4.06Å; K383-F440 HydrophobicContact CB-CD2 3.96Å; K383-F440 HydrophobicContact CD-CB 3.55Å; K383-F440 HydrophobicContact CD-CG 4.33Å; K383-F440 PolarHBondContact NZ-O 2.68Å; A385-F440 HydrophobicContact CB-CE2 4.18Å; A385-F440 HydrophobicContact CB-CZ 3.61Å; L406-F440 HydrophobicContact CD2-CE1 4.05Å; L406-F440 HydrophobicContact CD2-CZ 3.76Å; L406-F440 HydrophobicContact CG-CZ 4.42Å; P409-F440 HydrophobicContact CB-CB 4.37Å; P409-F440 HydrophobicContact CB-CD1 3.68Å; P409-F440 HydrophobicContact CB-CD2 4.09Å; P409-F440 HydrophobicContact CB-CE1 3.89Å; P409-F440 HydrophobicContact CB-CE2 4.29Å; P409-F440 HydrophobicContact CB-CG 3.79Å; P409-F440 HydrophobicContact CB-CZ 4.2Å; P409-F440 HydrophobicContact CG-CD1 3.72Å; P409-F440 HydrophobicContact CG-CE1 4.12Å; P409-F440 HydrophobicContact CG-CG 4.17Å; R437-F440 VanDerWaalsContact NH1-C 3.27Å; R437-F440 PolarHBondContact NH1-O 2.86Å; V438-F440 PolarHBondContact O-N 2.91Å; F440-V442 PolarHBondContact O-N 3.28Å
441V91.1Very high90.7Very high74 Ų7454.5 Ų54.545%0.44828%0.279SS..  trans-57.2137.8176.1-179.40000109.7R437 V438R437-V441 WeakPolarHBondContact CD-O 3.42Å; R437-V441 PolarHBondContact NH1-O 2.79Å; V438-V441 HydrophobicContact CB-CG2 4.39Å; V438-V441 WeakPolarHBondContact O-CG2 3.39Å; V438-V441 PolarHBondContact O-N 2.94Å
442V94.3Very high90.8Very high38 Ų3854.9 Ų54.923%0.2328%0.281CS..  trans-142.3150.2172.466.10000108.1F432 F440 E444F432-V442 HydrophobicContact CB-CG2 3.94Å; F440-V442 PolarHBondContact O-N 3.28Å; V442-E444 PolarHBondContact O-N 2.86Å
443A93.5Very high90.6Very high48 Ų4856 Ų5640%0.39729%0.287SS..  trans-61.4133.8179.600000111.3W428 R445 V446W428-A443 PolarHBondContact NE1-O 2.97Å; A443-R445 VanDerWaalsContact C-N 3.27Å; A443-R445 PolarHBondContact O-N 3.21Å; A443-V446 HydrophobicContact CB-CG1 4.16Å
444E94.5Very high90.8Very high140 Ų14056.5 Ų56.565%0.65429%0.289SS*.SBendtrans-70.6-25.7175.4-178.9175.3-159.100112.2V442 S498 W499V442-E444 PolarHBondContact O-N 2.86Å; E444-S498 CarbonylContact O-C 3.56Å; E444-S498 VanDerWaalsContact O-CA 3.3Å; E444-S498 WeakPolarHBondContact O-CA 3.23Å; E444-W499 PolarHBondContact O-N 2.82Å
445R96.5Very high91.3Very high149 Ų14950.8 Ų50.856%0.56226%0.263SS*.EExtended strand (participates in β ladder)trans-133.4141.5178.1-55.4-170.666.2-168.1-0.5111A443 S496 V497A443-R445 VanDerWaalsContact C-N 3.27Å; A443-R445 PolarHBondContact O-N 3.21Å; R445-S496 PolarHBondContact NH2-O 3.4Å; R445-V497 CarbonylContact C-O 3.49Å; R445-V497 WeakPolarHBondContact CA-O 3.22Å
446V95.6Very high92.3Very high7 Ų747.7 Ų47.74%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-136.6153.3-177.9-59.70000111.6W428 F432 A443 M451 S496 V497W428-V446 HydrophobicContact CH2-CG2 3.78Å; W428-V446 HydrophobicContact CZ2-CG1 3.99Å; W428-V446 HydrophobicContact CZ2-CG2 4.02Å; W428-V446 HydrophobicContact CZ3-CG2 4.38Å; F432-V446 HydrophobicContact CB-CG1 3.89Å; F432-V446 HydrophobicContact CD1-CB 4.38Å; F432-V446 HydrophobicContact CD1-CG1 4.05Å; F432-V446 HydrophobicContact CD1-CG2 4.49Å; F432-V446 HydrophobicContact CD2-CG1 3.83Å; F432-V446 HydrophobicContact CD2-CG2 4.19Å; F432-V446 HydrophobicContact CE1-CG2 4.24Å; F432-V446 HydrophobicContact CE2-CG1 4.4Å; F432-V446 HydrophobicContact CE2-CG2 3.91Å; F432-V446 HydrophobicContact CG-CB 4.39Å; F432-V446 HydrophobicContact CG-CG1 3.64Å; F432-V446 HydrophobicContact CG-CG2 4.48Å; F432-V446 HydrophobicContact CZ-CG2 3.95Å; A443-V446 HydrophobicContact CB-CG1 4.16Å; V446-M451 HydrophobicContact CG2-CE 4.21Å; V446-S496 CarbonylContact O-C 3.59Å; V446-S496 WeakPolarHBondContact O-CA 3.49Å; V446-S496 WeakPolarHBondContact O-CB 3.3Å; V446-V497 HydrophobicContact CG2-CG1 3.71Å; V446-V497 PolarHBondContact N-O 2.64Å; V446-V497 PolarHBondContact O-N 3.18Å
447P95.4Very high93.1Very high53 Ų5342 Ų4234%0.34422%0.217SC..EExtended strand (participates in β ladder)trans-57.4139.5173.6-24.935.4000112.1E449 K450 M451P447-E449 HydrophobicContact CB-CG 3.62Å; P447-E449 PolarHBondContact O-N 2.98Å; P447-K450 PolarHBondContact O-N 3.47Å; P447-M451 PolarHBondContact O-N 3.06Å
448W95Very high93.5Very high11 Ų1140.9 Ų40.94%0.04221%0.214CC..Hα-helixtrans-63.3-28.1179.2179.3-117.9000112.8M451 C452 L455 L477 A478 I481 F482 R495 V497W448-M451 HydrophobicContact CE3-CB 3.91Å; W448-M451 HydrophobicContact CE3-CG 3.81Å; W448-M451 HydrophobicContact CZ3-CB 4.2Å; W448-M451 HydrophobicContact CZ3-CG 3.57Å; W448-M451 PolarHBondContact O-N 3.36Å; W448-C452 PolarHBondContact NE1-SG 3.3Å; W448-C452 VanDerWaalsContact NE1-SG 3.36Å; W448-C452 PolarHBondContact O-N 3.31Å; W448-C452 PolarHBondContact O-SG 3.23Å; W448-L455 HydrophobicContact CH2-CD1 4.2Å; W448-L455 HydrophobicContact CZ3-CD1 4.43Å; W448-L477 HydrophobicContact CH2-CB 4.06Å; W448-L477 HydrophobicContact CZ2-CB 4.01Å; W448-A478 HydrophobicContact CZ2-CB 3.78Å; W448-I481 HydrophobicContact CE3-CG2 4.35Å; W448-I481 HydrophobicContact CH2-CG2 3.88Å; W448-I481 HydrophobicContact CZ3-CD1 4.1Å; W448-I481 HydrophobicContact CZ3-CG2 3.78Å; W448-F482 HydrophobicContact CB-CE2 4.33Å; W448-F482 HydrophobicContact CB-CZ 4.24Å; W448-F482 AromaticContact CD2-CE2 3.8Å; W448-F482 HydrophobicContact CD2-CE2 3.8Å; W448-F482 HydrophobicContact CD2-CZ 4.18Å; W448-F482 HydrophobicContact CE3-CE2 4.06Å; W448-F482 HydrophobicContact CE3-CZ 4.11Å; W448-F482 AromaticContact CG-CE2 3.91Å; W448-F482 HydrophobicContact CG-CE2 3.91Å; W448-F482 HydrophobicContact CG-CZ 4.23Å; W448-R495 WeakPolarHBondContact CB-O 3.48Å; W448-R495 PolarHBondContact N-O 2.82Å; W448-V497 HydrophobicContact CE3-CB 4.35Å; W448-V497 HydrophobicContact CE3-CG1 4.21Å
449E91.5Very high94Very high75 Ų7537.2 Ų37.235%0.3519%0.192SC..Hα-helixtrans-55.6-60.2169.647.8170.5-132.400112.3P447 M451 C452 E453 Q800P447-E449 HydrophobicContact CB-CG 3.62Å; P447-E449 PolarHBondContact O-N 2.98Å; E449-M451 PolarHBondContact O-N 3.35Å; E449-M451 VanDerWaalsContact O-N 3.15Å; E449-C452 WeakPolarHBondContact O-CB 3.37Å; E449-C452 PolarHBondContact O-N 2.82Å; E449-E453 WeakPolarHBondContact O-CG 3.45Å; E449-E453 PolarHBondContact O-N 2.95Å; E449-Q800 PolarHBondContact OE1-NE2 3.15Å; E449-Q800 VanDerWaalsContact OE1-NE2 3.14Å
450K91.8Very high94.3Very high35 Ų3537.8 Ų37.815%0.15219%0.193CC..Hα-helixtrans-57.3-32177.5-75.7-163.7173.1-171.50112.3F432 P447 T454 E799F432-K450 HydrophobicContact CE1-CB 3.99Å; P447-K450 PolarHBondContact O-N 3.47Å; K450-T454 WeakPolarHBondContact O-CB 3.2Å; K450-T454 PolarHBondContact O-N 3.26Å; K450-T454 VanDerWaalsContact O-N 3.07Å; K450-T454 PolarHBondContact O-OG1 2.94Å; K450-E799 IonicContact NZ-OE2 3.23Å; K450-E799 PolarHBondContact NZ-OE2 3.13Å
451M95.8Very high94.5Very high1 Ų139.7 Ų39.71%0.00521%0.21CC..Hα-helixtrans-69.8-44.5173.7-179.857.370.300112.2W428 F432 V446 P447 W448 E449 E453 T454 L455 V497 F502W428-M451 HydrophobicContact CE3-CE 3.59Å; W428-M451 HydrophobicContact CH2-CE 4.16Å; W428-M451 HydrophobicContact CZ3-CE 3.29Å; F432-M451 HydrophobicContact CE2-CE 3.63Å; F432-M451 HydrophobicContact CZ-CE 3.74Å; F432-M451 HydrophobicContact CZ-SD 4.33Å; V446-M451 HydrophobicContact CG2-CE 4.21Å; P447-M451 PolarHBondContact O-N 3.06Å; W448-M451 HydrophobicContact CE3-CB 3.91Å; W448-M451 HydrophobicContact CE3-CG 3.81Å; W448-M451 HydrophobicContact CZ3-CB 4.2Å; W448-M451 HydrophobicContact CZ3-CG 3.57Å; W448-M451 PolarHBondContact O-N 3.36Å; E449-M451 PolarHBondContact O-N 3.35Å; E449-M451 VanDerWaalsContact O-N 3.15Å; M451-E453 VanDerWaalsContact C-N 3.31Å; M451-E453 PolarHBondContact O-N 3.3Å; M451-T454 PolarHBondContact O-N 2.99Å; M451-L455 HydrophobicContact CG-CD1 3.86Å; M451-L455 HydrophobicContact CG-CG 4.23Å; M451-L455 WeakPolarHBondContact O-CB 3.21Å; M451-L455 VanDerWaalsContact O-CG 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.2Å; M451-L455 PolarHBondContact O-N 3.4Å; M451-L455 HydrophobicContact SD-CD1 4.04Å; M451-L455 HydrophobicContact SD-CD2 4.3Å; M451-L455 HydrophobicContact SD-CG 3.84Å; M451-V497 HydrophobicContact CB-CG1 3.96Å; M451-V497 HydrophobicContact CE-CG1 4.12Å; M451-V497 HydrophobicContact CG-CG1 4.11Å; M451-F502 HydrophobicContact CE-CD2 3.91Å; M451-F502 HydrophobicContact CE-CE2 4.01Å; M451-F502 HydrophobicContact CE-CG 4.42Å; M451-F502 HydrophobicContact SD-CD2 4.15Å; M451-F502 HydrophobicContact SD-CE2 3.81Å
452C95.1Very high94.6Very high14 Ų1438.1 Ų38.110%0.09520%0.198CC..Hα-helixtrans-58.5-44.4175.2-71.70000111.6W448 E449 L455 N456 F474W448-C452 PolarHBondContact NE1-SG 3.3Å; W448-C452 VanDerWaalsContact NE1-SG 3.36Å; W448-C452 PolarHBondContact O-N 3.31Å; W448-C452 PolarHBondContact O-SG 3.23Å; E449-C452 WeakPolarHBondContact O-CB 3.37Å; E449-C452 PolarHBondContact O-N 2.82Å; C452-L455 PolarHBondContact O-N 3.26Å; C452-N456 VanDerWaalsContact O-CB 3.29Å; C452-N456 WeakPolarHBondContact O-CB 3.43Å; C452-N456 PolarHBondContact O-N 3.14Å; C452-F474 HydrophobicContact CB-CD1 3.57Å; C452-F474 HydrophobicContact CB-CE1 3.63Å; C452-F474 HydrophobicContact CB-CG 4.16Å; C452-F474 HydrophobicContact CB-CZ 4.26Å; C452-F474 WeakPolarHBondContact O-CE1 3.33Å; C452-F474 VanDerWaalsContact SG-CD1 3.57Å
453E91.9Very high94.7Very high38 Ų3836.5 Ų36.518%0.17819%0.188CC..Hα-helixtrans-59.3-48175.5-64.1178.3143.900111.4E449 M451 N456 L457 T803 L807E449-E453 WeakPolarHBondContact O-CG 3.45Å; E449-E453 PolarHBondContact O-N 2.95Å; M451-E453 VanDerWaalsContact C-N 3.31Å; M451-E453 PolarHBondContact O-N 3.3Å; E453-N456 PolarHBondContact O-N 3.36Å; E453-L457 WeakPolarHBondContact O-CB 3.14Å; E453-L457 PolarHBondContact O-N 3.24Å; E453-T803 HydrophobicContact CB-CG2 3.77Å; E453-T803 HydrophobicContact CG-CG2 4.42Å; E453-T803 VanDerWaalsContact OE2-CG2 3.26Å; E453-T803 WeakPolarHBondContact OE2-CG2 3.49Å; E453-L807 HydrophobicContact CB-CD1 3.84Å; E453-L807 HydrophobicContact CG-CD1 3.74Å
454T95.1Very high94.7Very high11 Ų1135.8 Ų35.87%0.06719%0.185CC..Hα-helixtrans-61.2-45.9177.9-610000112.5L427 A431 F432 K450 M451 N456 L457 K458L427-T454 HydrophobicContact CD1-CG2 4.05Å; L427-T454 HydrophobicContact CD2-CG2 4.13Å; L427-T454 HydrophobicContact CG-CG2 3.9Å; A431-T454 HydrophobicContact CB-CG2 3.66Å; F432-T454 HydrophobicContact CZ-CG2 4.33Å; K450-T454 WeakPolarHBondContact O-CB 3.2Å; K450-T454 PolarHBondContact O-N 3.26Å; K450-T454 VanDerWaalsContact O-N 3.07Å; K450-T454 PolarHBondContact O-OG1 2.94Å; M451-T454 PolarHBondContact O-N 2.99Å; T454-N456 VanDerWaalsContact C-N 3.35Å; T454-L457 PolarHBondContact O-N 2.91Å; T454-K458 WeakPolarHBondContact O-CB 2.96Å; T454-K458 PolarHBondContact O-N 3.39Å
455L96.5Very high94.6Very high0 Ų029.8 Ų29.80%016%0.158CC..Hα-helixtrans-64.1-39.9178.1-71.5171.2000111.7W448 M451 C452 F459 F502 F514 F518W448-L455 HydrophobicContact CH2-CD1 4.2Å; W448-L455 HydrophobicContact CZ3-CD1 4.43Å; M451-L455 HydrophobicContact CG-CD1 3.86Å; M451-L455 HydrophobicContact CG-CG 4.23Å; M451-L455 WeakPolarHBondContact O-CB 3.21Å; M451-L455 VanDerWaalsContact O-CG 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.2Å; M451-L455 PolarHBondContact O-N 3.4Å; M451-L455 HydrophobicContact SD-CD1 4.04Å; M451-L455 HydrophobicContact SD-CD2 4.3Å; M451-L455 HydrophobicContact SD-CG 3.84Å; C452-L455 PolarHBondContact O-N 3.26Å; L455-F459 VanDerWaalsContact O-CB 3.25Å; L455-F459 WeakPolarHBondContact O-CB 3.29Å; L455-F459 PolarHBondContact O-N 3.45Å; L455-F502 HydrophobicContact CD2-CE2 4.22Å; L455-F514 HydrophobicContact CD1-CE1 4.13Å; L455-F514 HydrophobicContact CD1-CZ 4.14Å; L455-F514 HydrophobicContact CD2-CE1 4.37Å; L455-F518 HydrophobicContact CB-CE1 4.28Å; L455-F518 HydrophobicContact CB-CZ 4.07Å; L455-F518 HydrophobicContact CD2-CD1 3.73Å; L455-F518 HydrophobicContact CD2-CE1 3.51Å; L455-F518 HydrophobicContact CD2-CG 4.38Å; L455-F518 HydrophobicContact CD2-CZ 3.99Å; L455-F518 HydrophobicContact CG-CE1 4.47Å
456N96.4Very high94.3Very high17 Ų1727.8 Ų27.89%0.09116%0.159CC..Hα-helixtrans-66.6-46.3177.3-171.831.7000112C452 E453 T454 F459 M460 G468 L469 F474C452-N456 VanDerWaalsContact O-CB 3.29Å; C452-N456 WeakPolarHBondContact O-CB 3.43Å; C452-N456 PolarHBondContact O-N 3.14Å; E453-N456 PolarHBondContact O-N 3.36Å; T454-N456 VanDerWaalsContact C-N 3.35Å; N456-F459 PolarHBondContact O-N 3.45Å; N456-M460 WeakPolarHBondContact O-CG 3.08Å; N456-M460 PolarHBondContact O-N 3.49Å; N456-G468 WeakPolarHBondContact OD1-CA 3.28Å; N456-L469 HydrophobicContact CB-CD1 4.32Å; N456-L469 PolarHBondContact OD1-N 2.83Å; N456-F474 HydrophobicContact CB-CE1 4.23Å; N456-F474 HydrophobicContact CB-CZ 3.9Å
457L94.2Very high94.1Very high14 Ų1433.1 Ų33.17%0.07318%0.178CC..Hα-helixtrans-58.9-49.6177.1-172.668.4000111A215 E453 T454 F459 M460 A461 L806 L807A215-L457 HydrophobicContact CB-CD2 4.11Å; E453-L457 WeakPolarHBondContact O-CB 3.14Å; E453-L457 PolarHBondContact O-N 3.24Å; T454-L457 PolarHBondContact O-N 2.91Å; L457-F459 VanDerWaalsContact C-N 3.3Å; L457-F459 PolarHBondContact O-N 2.83Å; L457-M460 PolarHBondContact O-N 2.84Å; L457-A461 WeakPolarHBondContact O-CB 3.44Å; L457-A461 PolarHBondContact O-N 2.99Å; L457-L806 HydrophobicContact CD2-CD1 4.22Å; L457-L807 HydrophobicContact CB-CD2 4.45Å; L457-L807 HydrophobicContact CD1-CD2 4.41Å
458K94.9Very high94Very high28 Ų2831.1 Ų31.112%0.12217%0.167CC..Hα-helixtrans-61.3-38.7176.7-175.454.9167.31690111.9L427 T454 E462 W515 L522L427-K458 HydrophobicContact CD1-CB 3.9Å; L427-K458 HydrophobicContact CD1-CD 4Å; L427-K458 HydrophobicContact CD1-CG 3.79Å; T454-K458 WeakPolarHBondContact O-CB 2.96Å; T454-K458 PolarHBondContact O-N 3.39Å; K458-E462 HydrophobicContact CD-CB 4.48Å; K458-E462 WeakPolarHBondContact CE-OE2 3.32Å; K458-E462 IonicContact NZ-OE2 2.95Å; K458-E462 PolarHBondContact NZ-OE2 3.49Å; K458-E462 WeakPolarHBondContact O-CB 3.22Å; K458-E462 PolarHBondContact O-N 2.94Å; K458-W515 HydrophobicContact CG-CH2 4.41Å; K458-L522 HydrophobicContact CG-CD1 4.46Å
459F96.6Very high94Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-63.2-51176.1-170.6-77.3000112.6L455 N456 L457 A461 V463 T465 L469 F518 L522 T525 W533 F541L455-F459 VanDerWaalsContact O-CB 3.25Å; L455-F459 WeakPolarHBondContact O-CB 3.29Å; L455-F459 PolarHBondContact O-N 3.45Å; N456-F459 PolarHBondContact O-N 3.45Å; L457-F459 VanDerWaalsContact C-N 3.3Å; L457-F459 PolarHBondContact O-N 2.83Å; F459-A461 VanDerWaalsContact C-N 3.33Å; F459-A461 PolarHBondContact O-N 3Å; F459-V463 HydrophobicContact CD1-CG2 4.26Å; F459-V463 HydrophobicContact CE1-CB 4.42Å; F459-V463 HydrophobicContact CE1-CG2 4.02Å; F459-V463 HydrophobicContact CE2-CG2 4.34Å; F459-V463 HydrophobicContact CZ-CG2 4.08Å; F459-V463 VanDerWaalsContact O-CB 3.27Å; F459-V463 WeakPolarHBondContact O-CB 3.49Å; F459-V463 WeakPolarHBondContact O-CG2 3.27Å; F459-V463 PolarHBondContact O-N 3.29Å; F459-V463 VanDerWaalsContact O-N 3.1Å; F459-T465 HydrophobicContact CE1-CG2 4.34Å; F459-L469 HydrophobicContact CD2-CD2 4.2Å; F459-L469 HydrophobicContact CE2-CD2 4.44Å; F459-L469 HydrophobicContact CG-CD2 4.23Å; F459-F518 HydrophobicContact CD2-CZ 4.21Å; F459-L522 VanDerWaalsContact CA-CD2 3.48Å; F459-L522 HydrophobicContact CB-CD2 4.03Å; F459-L522 HydrophobicContact CD2-CD2 3.82Å; F459-L522 HydrophobicContact CD2-CG 4.48Å; F459-L522 HydrophobicContact CG-CD2 4.17Å; F459-T525 HydrophobicContact CZ-CG2 4.08Å; F459-W533 HydrophobicContact CD1-CZ2 4.45Å; F459-W533 AromaticContact CE1-CD2 3.98Å; F459-W533 HydrophobicContact CE1-CD2 3.98Å; F459-W533 AromaticContact CE1-CE2 3.39Å; F459-W533 HydrophobicContact CE1-CG 4.35Å; F459-W533 HydrophobicContact CE1-CH2 4.36Å; F459-W533 AromaticContact CE1-CZ2 3.61Å; F459-W533 HydrophobicContact CE1-CZ2 3.61Å; F459-W533 AromaticContact CE1-NE1 3.43Å; F459-W533 AromaticContact CZ-CD2 3.86Å; F459-W533 HydrophobicContact CZ-CD2 3.86Å; F459-W533 AromaticContact CZ-CE2 3.64Å; F459-W533 HydrophobicContact CZ-CE3 4.15Å; F459-W533 HydrophobicContact CZ-CG 4.45Å; F459-W533 HydrophobicContact CZ-CH2 4.02Å; F459-W533 AromaticContact CZ-CZ2 3.73Å; F459-W533 HydrophobicContact CZ-CZ2 3.73Å; F459-W533 HydrophobicContact CZ-CZ3 4.23Å; F459-F541 HydrophobicContact CD2-CE2 4.49Å; F459-F541 HydrophobicContact CD2-CZ 4.35Å; F459-F541 AromaticContact CE2-CE2 3.91Å; F459-F541 HydrophobicContact CE2-CE2 3.91Å; F459-F541 AromaticContact CE2-CZ 3.95Å; F459-F541 HydrophobicContact CE2-CZ 3.95Å; F459-F541 HydrophobicContact CZ-CE2 4.44Å
460M95.1Very high94.2Very high32 Ų3230.1 Ų30.116%0.15817%0.165CC..Hα-helixtrans-60.2-42.8179-70.7-173.6-62.600112N456 L457 G464 T465 G468 L807N456-M460 WeakPolarHBondContact O-CG 3.08Å; N456-M460 PolarHBondContact O-N 3.49Å; L457-M460 PolarHBondContact O-N 2.84Å; M460-G464 CarbonylContact O-C 3.52Å; M460-G464 VanDerWaalsContact O-CA 3.25Å; M460-G464 WeakPolarHBondContact O-CA 3.26Å; M460-G464 PolarHBondContact O-N 3.27Å; M460-T465 VanDerWaalsContact CB-O 3.32Å; M460-T465 WeakPolarHBondContact CB-O 3.3Å; M460-T465 PolarHBondContact O-N 3.13Å; M460-G468 VanDerWaalsContact SD-CA 3.55Å; M460-L807 HydrophobicContact CE-CD2 3.68Å
461A93.8Very high94.2Very high49 Ų4932.4 Ų32.441%0.40518%0.183SC..Hα-helixtrans-71.8-47.7-179.400000113.6L457 F459 G464L457-A461 WeakPolarHBondContact O-CB 3.44Å; L457-A461 PolarHBondContact O-N 2.99Å; F459-A461 VanDerWaalsContact C-N 3.33Å; F459-A461 PolarHBondContact O-N 3Å; A461-G464 PolarHBondContact O-N 3.49Å
462E94Very high94Very high40 Ų4037.3 Ų37.319%0.18721%0.206CC..Hα-helixtrans-71-36.1-175.4-166.267.1-131.500112.2K458 L522 K526K458-E462 HydrophobicContact CD-CB 4.48Å; K458-E462 WeakPolarHBondContact CE-OE2 3.32Å; K458-E462 IonicContact NZ-OE2 2.95Å; K458-E462 PolarHBondContact NZ-OE2 3.49Å; K458-E462 WeakPolarHBondContact O-CB 3.22Å; K458-E462 PolarHBondContact O-N 2.94Å; E462-L522 HydrophobicContact CB-CD2 3.98Å; E462-L522 HydrophobicContact CG-CB 4.39Å; E462-L522 HydrophobicContact CG-CD2 4.38Å; E462-K526 HydrophobicContact CG-CD 4.35Å; E462-K526 WeakPolarHBondContact O-CD 3.49Å; E462-K526 VanDerWaalsContact O-CE 3.29Å; E462-K526 WeakPolarHBondContact O-CE 3.38Å; E462-K526 VanDerWaalsContact O-CG 3.27Å; E462-K526 WeakPolarHBondContact O-CG 3.46Å; E462-K526 IonicContact OE1-NZ 3.04Å; E462-K526 PolarHBondContact OE1-NZ 3Å
463V95.1Very high94Very high4 Ų436.8 Ų36.82%0.02420%0.202CC..Hα-helixtrans-81-22.6173.81780000111.6F459 T465 L522 T525 R530F459-V463 HydrophobicContact CD1-CG2 4.26Å; F459-V463 HydrophobicContact CE1-CB 4.42Å; F459-V463 HydrophobicContact CE1-CG2 4.02Å; F459-V463 HydrophobicContact CE2-CG2 4.34Å; F459-V463 HydrophobicContact CZ-CG2 4.08Å; F459-V463 VanDerWaalsContact O-CB 3.27Å; F459-V463 WeakPolarHBondContact O-CB 3.49Å; F459-V463 WeakPolarHBondContact O-CG2 3.27Å; F459-V463 PolarHBondContact O-N 3.29Å; F459-V463 VanDerWaalsContact O-N 3.1Å; V463-T465 HydrophobicContact CB-CG2 4.15Å; V463-T465 HydrophobicContact CG1-CG2 3.92Å; V463-L522 HydrophobicContact CG2-CD2 4.46Å; V463-T525 HydrophobicContact CB-CG2 4.49Å; V463-T525 HydrophobicContact CG1-CG2 3.68Å; V463-T525 HydrophobicContact CG2-CG2 3.9Å; V463-R530 HydrophobicContact CG1-CB 4.18Å; V463-R530 HydrophobicContact CG1-CG 4.09Å; V463-R530 WeakPolarHBondContact O-CD 3.28Å; V463-R530 WeakPolarHBondContact O-CG 3.29Å; V463-R530 PolarHBondContact O-NE 2.79Å; V463-R530 VanDerWaalsContact O-NE 3.16Å
464G94.3Very high94.1Very high33 Ų3336.4 Ų36.434%0.3420%0.2SC..THydrogen-bonded Turntrans68.352.5-176.300000112.5M460 A461 R530M460-G464 CarbonylContact O-C 3.52Å; M460-G464 VanDerWaalsContact O-CA 3.25Å; M460-G464 WeakPolarHBondContact O-CA 3.26Å; M460-G464 PolarHBondContact O-N 3.27Å; A461-G464 PolarHBondContact O-N 3.49Å; G464-R530 VanDerWaalsContact O-CZ 3.23Å; G464-R530 PolarHBondContact O-NE 3.01Å; G464-R530 PolarHBondContact O-NH2 3.41Å
465T92.9Very high94Very high14 Ų1437.7 Ų37.79%0.08621%0.206CC..  trans-133.3144.7-178.2-174.10000111.7F459 M460 V463 R467 S534F459-T465 HydrophobicContact CE1-CG2 4.34Å; M460-T465 VanDerWaalsContact CB-O 3.32Å; M460-T465 WeakPolarHBondContact CB-O 3.3Å; M460-T465 PolarHBondContact O-N 3.13Å; V463-T465 HydrophobicContact CB-CG2 4.15Å; V463-T465 HydrophobicContact CG1-CG2 3.92Å; T465-R467 PolarHBondContact OG1-N 3.16Å; T465-S534 PolarHBondContact OG1-OG 3.31Å
466N90.1Very high94Very high107 Ų10738.2 Ų38.257%0.57221%0.208SC*.SBendtrans-855.6170.767.2-17.2000112.8Q810N466-Q810 VanDerWaalsContact CB-OE1 3.27Å
467R91Very high93.9Very high120 Ų12037.4 Ų37.445%0.45320%0.204SC..  trans-104.489.7177.7-66.3-50.7-162.3-1793.2110T465 W533 S534T465-R467 PolarHBondContact OG1-N 3.16Å; R467-W533 PolarHBondContact O-NE1 2.86Å; R467-S534 WeakPolarHBondContact CG-O 3.04Å
468G93.2Very high94Very high10 Ų1036.8 Ų36.810%0.10320%0.201CC..  trans-65.8-179.7174.600000114.9N456 M460 R536N456-G468 WeakPolarHBondContact OD1-CA 3.28Å; M460-G468 VanDerWaalsContact SD-CA 3.55Å; G468-R536 PolarHBondContact O-NH1 2.96Å; G468-R536 PolarHBondContact O-NH2 3.46Å
469L95.4Very high93.8Very high12 Ų1237 Ų376%0.06320%0.202CC..  trans-63.3160.9170.5-58.9176.8000111.4N456 F459 H473 F474 L477 F518 W533 F541N456-L469 HydrophobicContact CB-CD1 4.32Å; N456-L469 PolarHBondContact OD1-N 2.83Å; F459-L469 HydrophobicContact CD2-CD2 4.2Å; F459-L469 HydrophobicContact CE2-CD2 4.44Å; F459-L469 HydrophobicContact CG-CD2 4.23Å; L469-H473 HydrophobicContact CB-CB 4.31Å; L469-H473 HydrophobicContact CD2-CB 4.4Å; L469-F474 HydrophobicContact CB-CE1 3.85Å; L469-F474 HydrophobicContact CB-CE2 4.15Å; L469-F474 HydrophobicContact CB-CZ 3.62Å; L469-F474 HydrophobicContact CD1-CD1 4.32Å; L469-F474 HydrophobicContact CD1-CE1 3.65Å; L469-F474 HydrophobicContact CD1-CZ 4.23Å; L469-F474 HydrophobicContact CG-CE1 4.39Å; L469-L477 HydrophobicContact CD1-CD1 4.06Å; L469-F518 HydrophobicContact CD1-CZ 4.41Å; L469-W533 HydrophobicContact CD2-CH2 4.12Å; L469-W533 HydrophobicContact CD2-CZ2 4.17Å; L469-F541 HydrophobicContact CD2-CD2 3.75Å; L469-F541 HydrophobicContact CD2-CE2 3.37Å; L469-F541 HydrophobicContact CD2-CZ 4.07Å
470L94.4Very high93.7Very high54 Ų5438.6 Ų38.628%0.28321%0.209SC..  trans-117.1162.1-178.5-65177.8000110.4E472 H473 F474L470-E472 VanDerWaalsContact C-N 3.27Å; L470-E472 HydrophobicContact CB-CG 4.06Å; L470-E472 WeakPolarHBondContact CD1-OE1 3.41Å; L470-E472 PolarHBondContact O-N 3.11Å; L470-H473 PolarHBondContact N-ND1 3Å; L470-H473 WeakPolarHBondContact O-CA 3.44Å; L470-H473 VanDerWaalsContact O-CB 3.28Å; L470-H473 WeakPolarHBondContact O-CB 3.43Å; L470-H473 PolarHBondContact O-N 3Å; L470-F474 VanDerWaalsContact O-CD2 3.29Å; L470-F474 WeakPolarHBondContact O-CD2 3.41Å; L470-F474 PolarHBondContact O-N 2.84Å; L470-F474 VanDerWaalsContact O-N 3.14Å
471P92.1Very high93.7Very high82 Ų8237.7 Ų37.753%0.53221%0.205SC..Hα-helixtrans-50.3-44.3177.9-30.237.3000113.9H473 F474 L475 M489P471-H473 VanDerWaalsContact C-N 3.28Å; P471-H473 PolarHBondContact O-N 3.1Å; P471-F474 PolarHBondContact O-N 2.88Å; P471-F474 VanDerWaalsContact O-N 3.13Å; P471-L475 PolarHBondContact O-N 3.34Å; P471-M489 HydrophobicContact CB-CE 3.82Å; P471-M489 HydrophobicContact CB-SD 4.33Å; P471-M489 WeakPolarHBondContact O-CE 3.41Å
472E91.4Very high93.8Very high104 Ų10436.2 Ų36.249%0.48619%0.189SC..Hα-helixtrans-60.9-32.2175.563.3-158.2177.900113.7L470 F476L470-E472 VanDerWaalsContact C-N 3.27Å; L470-E472 HydrophobicContact CB-CG 4.06Å; L470-E472 WeakPolarHBondContact CD1-OE1 3.41Å; L470-E472 PolarHBondContact O-N 3.11Å; E472-F476 PolarHBondContact O-N 2.85Å
473H95.6Very high93.6Very high3 Ų339.5 Ų39.51%0.01421%0.208CC..Hα-helixtrans-69.9-42.5173.6-54.2173.1000110.9L469 L470 P471 L475 F476 L477 W533 I539 F541L469-H473 HydrophobicContact CB-CB 4.31Å; L469-H473 HydrophobicContact CD2-CB 4.4Å; L470-H473 PolarHBondContact N-ND1 3Å; L470-H473 WeakPolarHBondContact O-CA 3.44Å; L470-H473 VanDerWaalsContact O-CB 3.28Å; L470-H473 WeakPolarHBondContact O-CB 3.43Å; L470-H473 PolarHBondContact O-N 3Å; P471-H473 VanDerWaalsContact C-N 3.28Å; P471-H473 PolarHBondContact O-N 3.1Å; H473-L475 VanDerWaalsContact C-N 3.33Å; H473-L475 PolarHBondContact O-N 2.81Å; H473-F476 PolarHBondContact O-N 3.45Å; H473-L477 WeakPolarHBondContact O-CB 3.49Å; H473-L477 VanDerWaalsContact O-CG 3.25Å; H473-L477 WeakPolarHBondContact O-CG 3.44Å; H473-L477 PolarHBondContact O-N 3.46Å; H473-W533 AromaticContact CE1-CH2 3.48Å; H473-W533 VanDerWaalsContact CE1-CH2 3.48Å; H473-W533 WeakPolarHBondContact CE1-CH2 3.28Å; H473-W533 AromaticContact ND1-CH2 3.72Å; H473-I539 PolarHBondContact NE2-O 3.21Å; H473-I539 VanDerWaalsContact NE2-O 3.17Å; H473-F541 HydrophobicContact CB-CB 3.6Å; H473-F541 HydrophobicContact CB-CD2 4.1Å; H473-F541 HydrophobicContact CB-CG 4.04Å; H473-F541 AromaticContact CG-CD2 3.92Å; H473-F541 AromaticContact ND1-CD2 3.82Å
474F94.9Very high93.3Very high31 Ų3140.9 Ų40.914%0.13622%0.215CC..Hα-helixtrans-65.7-35.8178.1-62.6-58.9000112.3C452 N456 L469 L470 P471 L477 A478 M489C452-F474 HydrophobicContact CB-CD1 3.57Å; C452-F474 HydrophobicContact CB-CE1 3.63Å; C452-F474 HydrophobicContact CB-CG 4.16Å; C452-F474 HydrophobicContact CB-CZ 4.26Å; C452-F474 WeakPolarHBondContact O-CE1 3.33Å; C452-F474 VanDerWaalsContact SG-CD1 3.57Å; N456-F474 HydrophobicContact CB-CE1 4.23Å; N456-F474 HydrophobicContact CB-CZ 3.9Å; L469-F474 HydrophobicContact CB-CE1 3.85Å; L469-F474 HydrophobicContact CB-CE2 4.15Å; L469-F474 HydrophobicContact CB-CZ 3.62Å; L469-F474 HydrophobicContact CD1-CD1 4.32Å; L469-F474 HydrophobicContact CD1-CE1 3.65Å; L469-F474 HydrophobicContact CD1-CZ 4.23Å; L469-F474 HydrophobicContact CG-CE1 4.39Å; L470-F474 VanDerWaalsContact O-CD2 3.29Å; L470-F474 WeakPolarHBondContact O-CD2 3.41Å; L470-F474 PolarHBondContact O-N 2.84Å; L470-F474 VanDerWaalsContact O-N 3.14Å; P471-F474 PolarHBondContact O-N 2.88Å; P471-F474 VanDerWaalsContact O-N 3.13Å; F474-L477 HydrophobicContact CD1-CD1 4.43Å; F474-L477 PolarHBondContact O-N 3.01Å; F474-A478 WeakPolarHBondContact O-CB 3.38Å; F474-A478 PolarHBondContact O-N 3.49Å; F474-M489 HydrophobicContact CB-CE 4.22Å
475L93Very high92.6Very high38 Ų3845.6 Ų45.620%0.19923%0.232CC..Hα-helixtrans-59.4-49.7171.7178.362.2000111.2P471 H473 L477 A478 Q479 L487 F492P471-L475 PolarHBondContact O-N 3.34Å; H473-L475 VanDerWaalsContact C-N 3.33Å; H473-L475 PolarHBondContact O-N 2.81Å; L475-L477 PolarHBondContact O-N 2.73Å; L475-A478 WeakPolarHBondContact O-CB 3.19Å; L475-A478 PolarHBondContact O-N 2.79Å; L475-Q479 VanDerWaalsContact O-CG 3.3Å; L475-Q479 WeakPolarHBondContact O-CG 3.27Å; L475-Q479 PolarHBondContact O-N 3.29Å; L475-L487 WeakPolarHBondContact CD2-O 3.45Å; L475-F492 HydrophobicContact CD1-CD2 3.9Å; L475-F492 HydrophobicContact CD1-CE2 3.68Å
476F94.7Very high92.2Very high11 Ų1147 Ų475%0.04824%0.243CC..Hα-helixtrans-61.9-39.9176.1169-102.4000113.1E472 H473 A478 K480 W517 F541 I542 S543 D565E472-F476 PolarHBondContact O-N 2.85Å; H473-F476 PolarHBondContact O-N 3.45Å; F476-A478 VanDerWaalsContact C-N 3.34Å; F476-K480 WeakPolarHBondContact O-CB 3.37Å; F476-K480 PolarHBondContact O-N 3Å; F476-W517 AromaticContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CZ2 4.13Å; F476-F541 VanDerWaalsContact CD1-C 3.45Å; F476-F541 HydrophobicContact CD1-CB 3.68Å; F476-F541 HydrophobicContact CD1-CD1 4.08Å; F476-F541 HydrophobicContact CD1-CG 4.4Å; F476-F541 HydrophobicContact CE1-CB 4.2Å; F476-F541 HydrophobicContact CE1-CD1 4.1Å; F476-F541 HydrophobicContact CG-CB 4.48Å; F476-I542 VanDerWaalsContact CE2-C 3.43Å; F476-S543 VanDerWaalsContact CD2-N 3.33Å; F476-D565 WeakPolarHBondContact CZ-OD1 3.45Å
477L95.8Very high91.7Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-65.4-38.1176.3-69.4170.6000111.5W448 L469 H473 F474 L475 K480 I481 F514 W517 F518 F541W448-L477 HydrophobicContact CH2-CB 4.06Å; W448-L477 HydrophobicContact CZ2-CB 4.01Å; L469-L477 HydrophobicContact CD1-CD1 4.06Å; H473-L477 WeakPolarHBondContact O-CB 3.49Å; H473-L477 VanDerWaalsContact O-CG 3.25Å; H473-L477 WeakPolarHBondContact O-CG 3.44Å; H473-L477 PolarHBondContact O-N 3.46Å; F474-L477 HydrophobicContact CD1-CD1 4.43Å; F474-L477 PolarHBondContact O-N 3.01Å; L475-L477 PolarHBondContact O-N 2.73Å; L477-K480 PolarHBondContact O-N 2.77Å; L477-I481 WeakPolarHBondContact O-CG2 3.23Å; L477-I481 PolarHBondContact O-N 3.46Å; L477-F514 HydrophobicContact CB-CE2 4.48Å; L477-F514 HydrophobicContact CB-CZ 4.44Å; L477-F514 HydrophobicContact CD2-CE2 3.98Å; L477-F514 HydrophobicContact CD2-CZ 3.94Å; L477-W517 HydrophobicContact CD2-CH2 3.87Å; L477-W517 HydrophobicContact CD2-CZ3 3.61Å; L477-F518 HydrophobicContact CD1-CE2 4.13Å; L477-F518 HydrophobicContact CD2-CD2 4Å; L477-F518 HydrophobicContact CD2-CE2 4.13Å; L477-F541 HydrophobicContact CD1-CD1 4.44Å; L477-F541 HydrophobicContact CD2-CD1 3.76Å; L477-F541 HydrophobicContact CD2-CE1 3.93Å; L477-F541 HydrophobicContact CG-CD1 4.15Å
478A95.1Very high91.2Very high0 Ų045.9 Ų45.90%025%0.25CC..Hα-helixtrans-65.1-49.1175.600000111.5W448 F474 L475 F476 K480 I481 F482 F492W448-A478 HydrophobicContact CZ2-CB 3.78Å; F474-A478 WeakPolarHBondContact O-CB 3.38Å; F474-A478 PolarHBondContact O-N 3.49Å; L475-A478 WeakPolarHBondContact O-CB 3.19Å; L475-A478 PolarHBondContact O-N 2.79Å; F476-A478 VanDerWaalsContact C-N 3.34Å; A478-K480 VanDerWaalsContact C-N 3.25Å; A478-K480 PolarHBondContact O-N 3.03Å; A478-I481 PolarHBondContact O-N 3.46Å; A478-F482 HydrophobicContact CB-CD2 4.2Å; A478-F482 HydrophobicContact CB-CE2 4.42Å; A478-F482 WeakPolarHBondContact O-CB 3.36Å; A478-F482 VanDerWaalsContact O-CD2 3.25Å; A478-F482 WeakPolarHBondContact O-CD2 3.33Å; A478-F482 PolarHBondContact O-N 2.86Å; A478-F492 HydrophobicContact CB-CB 4.03Å; A478-F492 HydrophobicContact CB-CD1 3.61Å; A478-F492 HydrophobicContact CB-CD2 3.94Å; A478-F492 HydrophobicContact CB-CE1 3.97Å; A478-F492 HydrophobicContact CB-CE2 4.28Å; A478-F492 HydrophobicContact CB-CG 3.58Å; A478-F492 HydrophobicContact CB-CZ 4.29Å
479Q92.4Very high90.5Very high33 Ų3349.5 Ų49.515%0.15427%0.265CS..Hα-helixtrans-54.4-43.1174.3-70.7172.5-13.400111.5L475 N483 D484 S486 F492L475-Q479 VanDerWaalsContact O-CG 3.3Å; L475-Q479 WeakPolarHBondContact O-CG 3.27Å; L475-Q479 PolarHBondContact O-N 3.29Å; Q479-N483 WeakPolarHBondContact O-CA 3.31Å; Q479-N483 PolarHBondContact O-N 3.24Å; Q479-N483 VanDerWaalsContact O-N 3.13Å; Q479-D484 VanDerWaalsContact CA-O 3.23Å; Q479-D484 WeakPolarHBondContact CA-O 3.42Å; Q479-D484 VanDerWaalsContact CB-O 3.22Å; Q479-D484 WeakPolarHBondContact CB-O 3.33Å; Q479-D484 VanDerWaalsContact CG-O 3.31Å; Q479-D484 WeakPolarHBondContact CG-O 3.29Å; Q479-D484 PolarHBondContact O-N 3.35Å; Q479-S486 PolarHBondContact NE2-O 3.5Å; Q479-F492 HydrophobicContact CG-CE2 4.38Å; Q479-F492 HydrophobicContact CG-CZ 4.16Å
480K93.8Very high89.9Confident34 Ų3456.4 Ų56.415%0.14830%0.297CS..Hα-helixtrans-68.5-46.9179.5-174.6179.2-62.4-63.40113.4F476 L477 A478 L507 F514 W517 D565F476-K480 WeakPolarHBondContact O-CB 3.37Å; F476-K480 PolarHBondContact O-N 3Å; L477-K480 PolarHBondContact O-N 2.77Å; A478-K480 VanDerWaalsContact C-N 3.25Å; A478-K480 PolarHBondContact O-N 3.03Å; K480-L507 HydrophobicContact CD-CD1 4.21Å; K480-L507 HydrophobicContact CG-CD1 4.15Å; K480-L507 HydrophobicContact CG-CD2 4.4Å; K480-F514 HydrophobicContact CD-CD2 4.36Å; K480-F514 HydrophobicContact CD-CE2 4.49Å; K480-F514 HydrophobicContact CG-CD2 4.35Å; K480-W517 HydrophobicContact CD-CD2 3.97Å; K480-W517 HydrophobicContact CD-CE3 3.62Å; K480-W517 HydrophobicContact CD-CH2 3.86Å; K480-W517 HydrophobicContact CD-CZ2 4.17Å; K480-W517 HydrophobicContact CD-CZ3 3.56Å; K480-W517 VanDerWaalsContact CE-CH2 3.48Å; K480-D565 IonicContact NZ-OD1 3.39Å; K480-D565 PolarHBondContact NZ-OD1 3.17Å
481I95.4Very high89.4Confident12 Ų1256.2 Ų56.26%0.06230%0.303CS..Hα-helixtrans-77.4-32.9-174.8-160.7170.4000112.9W448 L477 A478 V497 Q501 F502 F514W448-I481 HydrophobicContact CE3-CG2 4.35Å; W448-I481 HydrophobicContact CH2-CG2 3.88Å; W448-I481 HydrophobicContact CZ3-CD1 4.1Å; W448-I481 HydrophobicContact CZ3-CG2 3.78Å; L477-I481 WeakPolarHBondContact O-CG2 3.23Å; L477-I481 PolarHBondContact O-N 3.46Å; A478-I481 PolarHBondContact O-N 3.46Å; I481-V497 HydrophobicContact CD1-CG2 3.56Å; I481-V497 HydrophobicContact CG1-CG2 4.36Å; I481-Q501 HydrophobicContact CG1-CB 4.47Å; I481-F502 HydrophobicContact CD1-CD2 4.33Å; I481-F514 HydrophobicContact CB-CD2 3.62Å; I481-F514 HydrophobicContact CB-CE2 3.82Å; I481-F514 HydrophobicContact CB-CG 4.12Å; I481-F514 HydrophobicContact CB-CZ 4.48Å; I481-F514 HydrophobicContact CD1-CB 4.27Å; I481-F514 HydrophobicContact CD1-CD1 3.65Å; I481-F514 HydrophobicContact CD1-CD2 4.05Å; I481-F514 HydrophobicContact CD1-CE1 3.92Å; I481-F514 HydrophobicContact CD1-CE2 4.28Å; I481-F514 HydrophobicContact CD1-CG 3.71Å; I481-F514 HydrophobicContact CD1-CZ 4.21Å; I481-F514 HydrophobicContact CG1-CB 4.05Å; I481-F514 HydrophobicContact CG1-CD1 4.25Å; I481-F514 HydrophobicContact CG1-CD2 3.83Å; I481-F514 HydrophobicContact CG1-CE2 4.33Å; I481-F514 HydrophobicContact CG1-CG 3.77Å
482F94.6Very high89.2Confident19 Ų1952.5 Ų52.58%0.08328%0.279CS..Hα-helixtrans-92.5-3.2179.6-63.8-58.6000113.8W448 A478 D484 F492 R495 V497W448-F482 HydrophobicContact CB-CE2 4.33Å; W448-F482 HydrophobicContact CB-CZ 4.24Å; W448-F482 AromaticContact CD2-CE2 3.8Å; W448-F482 HydrophobicContact CD2-CE2 3.8Å; W448-F482 HydrophobicContact CD2-CZ 4.18Å; W448-F482 HydrophobicContact CE3-CE2 4.06Å; W448-F482 HydrophobicContact CE3-CZ 4.11Å; W448-F482 AromaticContact CG-CE2 3.91Å; W448-F482 HydrophobicContact CG-CE2 3.91Å; W448-F482 HydrophobicContact CG-CZ 4.23Å; A478-F482 HydrophobicContact CB-CD2 4.2Å; A478-F482 HydrophobicContact CB-CE2 4.42Å; A478-F482 WeakPolarHBondContact O-CB 3.36Å; A478-F482 VanDerWaalsContact O-CD2 3.25Å; A478-F482 WeakPolarHBondContact O-CD2 3.33Å; A478-F482 PolarHBondContact O-N 2.86Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 HydrophobicContact CB-CB 4.1Å; F482-D484 PolarHBondContact O-N 2.92Å; F482-F492 HydrophobicContact CB-CE1 4.46Å; F482-F492 AromaticContact CD2-CD1 3.71Å; F482-F492 HydrophobicContact CD2-CD1 3.71Å; F482-F492 AromaticContact CD2-CE1 3.98Å; F482-F492 HydrophobicContact CD2-CE1 3.98Å; F482-F492 HydrophobicContact CE2-CD1 4.18Å; F482-R495 HydrophobicContact CD1-CG 4.31Å; F482-R495 HydrophobicContact CD2-CG 4.49Å; F482-R495 HydrophobicContact CE1-CG 3.88Å; F482-R495 HydrophobicContact CE2-CB 4.3Å; F482-R495 HydrophobicContact CE2-CG 4.09Å; F482-R495 HydrophobicContact CZ-CB 4.14Å; F482-R495 HydrophobicContact CZ-CG 3.76Å; F482-V497 HydrophobicContact CE1-CB 4.1Å; F482-V497 HydrophobicContact CZ-CB 4.06Å
483N90.7Very high88.5Confident108 Ų10852.4 Ų52.458%0.57828%0.278SS*.THydrogen-bonded Turntrans4855.6-171.8-170.684.3000111.5Q479 L508Q479-N483 WeakPolarHBondContact O-CA 3.31Å; Q479-N483 PolarHBondContact O-N 3.24Å; Q479-N483 VanDerWaalsContact O-N 3.13Å; N483-L508 WeakPolarHBondContact OD1-CD1 3.46Å
484D87.7Confident88Confident34 Ų3460.1 Ų60.118%0.18231%0.314CS..  trans-130137-169.2-161.6-53.9000109.9Q479 F482 S486 F492 R495Q479-D484 VanDerWaalsContact CA-O 3.23Å; Q479-D484 WeakPolarHBondContact CA-O 3.42Å; Q479-D484 VanDerWaalsContact CB-O 3.22Å; Q479-D484 WeakPolarHBondContact CB-O 3.33Å; Q479-D484 VanDerWaalsContact CG-O 3.31Å; Q479-D484 WeakPolarHBondContact CG-O 3.29Å; Q479-D484 PolarHBondContact O-N 3.35Å; F482-D484 VanDerWaalsContact C-N 3.34Å; F482-D484 HydrophobicContact CB-CB 4.1Å; F482-D484 PolarHBondContact O-N 2.92Å; D484-S486 VanDerWaalsContact OD1-CB 3.22Å; D484-S486 WeakPolarHBondContact OD1-CB 3.36Å; D484-S486 PolarHBondContact OD1-N 2.66Å; D484-S486 PolarHBondContact OD1-OG 2.89Å; D484-F492 HydrophobicContact CB-CE1 3.85Å; D484-F492 HydrophobicContact CB-CZ 3.98Å; D484-R495 IonicContact OD2-CZ 3.92Å; D484-R495 VanDerWaalsContact OD2-CZ 3.31Å; D484-R495 IonicContact OD2-NH1 3.47Å; D484-R495 PolarHBondContact OD2-NH1 3.37Å; D484-R495 IonicContact OD2-NH2 3.07Å; D484-R495 PolarHBondContact OD2-NH2 2.69Å
485N81Confident87.9Confident131 Ų13162.3 Ų62.370%0.70132%0.321SS*.  trans-997.2-176.5-64.2-36.7000113.1L487N485-L487 PolarHBondContact O-N 2.85Å
486S84Confident88Confident43 Ų4362.7 Ų62.730%0.30133%0.327SS..  trans-59134.3179.3-60.10000111.8Q479 D484Q479-S486 PolarHBondContact NE2-O 3.5Å; D484-S486 VanDerWaalsContact OD1-CB 3.22Å; D484-S486 WeakPolarHBondContact OD1-CB 3.36Å; D484-S486 PolarHBondContact OD1-N 2.66Å; D484-S486 PolarHBondContact OD1-OG 2.89Å
487L78.9Confident88.1Confident144 Ų14462.1 Ų62.175%0.75433%0.325SS*.  trans-97.4-11.8-175-60-180000113.9L475 N485L475-L487 WeakPolarHBondContact CD2-O 3.45Å; N485-L487 PolarHBondContact O-N 2.85Å
488S80.8Confident88.2Confident60 Ų6062.6 Ų62.642%0.4233%0.328SS..  trans-91.5138.517654.40000111.5E490 F492S488-E490 VanDerWaalsContact C-N 3.33Å; S488-F492 WeakPolarHBondContact O-CD2 3.28Å
489M79.1Confident88.3Confident87 Ų8764.1 Ų64.143%0.42933%0.333SS..SBendtrans-66.8-35.8174.3172.3161.8-78.100112.1P471 F474 A491 F492 Q493P471-M489 HydrophobicContact CB-CE 3.82Å; P471-M489 HydrophobicContact CB-SD 4.33Å; P471-M489 WeakPolarHBondContact O-CE 3.41Å; F474-M489 HydrophobicContact CB-CE 4.22Å; M489-A491 PolarHBondContact O-N 2.82Å; M489-F492 PolarHBondContact O-N 2.93Å; M489-Q493 PolarHBondContact O-N 2.77Å
490E82.3Confident88.5Confident157 Ų15764 Ų6473%0.73434%0.336SS*.Hα-helixtrans-55.8-36.5-179.5-65.2166.4-157.800112.4S488 F492 Q493S488-E490 VanDerWaalsContact C-N 3.33Å; E490-F492 PolarHBondContact O-N 3.06Å; E490-F492 VanDerWaalsContact O-N 3.1Å; E490-Q493 PolarHBondContact O-N 2.91Å; E490-Q493 VanDerWaalsContact O-N 3.16Å
491A83.8Confident88.6Confident49 Ų4964.6 Ų64.641%0.40534%0.339SS..Hα-helixtrans-62.2-17.9177.100000114.1M489M489-A491 PolarHBondContact O-N 2.82Å
492F87.3Confident88.7Confident4 Ų464 Ų642%0.01834%0.337CS..Hα-helixtrans-106.5-12.9178.6-60.2-74.6000113.6L475 A478 Q479 F482 D484 S488 M489 E490 H494 R495L475-F492 HydrophobicContact CD1-CD2 3.9Å; L475-F492 HydrophobicContact CD1-CE2 3.68Å; A478-F492 HydrophobicContact CB-CB 4.03Å; A478-F492 HydrophobicContact CB-CD1 3.61Å; A478-F492 HydrophobicContact CB-CD2 3.94Å; A478-F492 HydrophobicContact CB-CE1 3.97Å; A478-F492 HydrophobicContact CB-CE2 4.28Å; A478-F492 HydrophobicContact CB-CG 3.58Å; A478-F492 HydrophobicContact CB-CZ 4.29Å; Q479-F492 HydrophobicContact CG-CE2 4.38Å; Q479-F492 HydrophobicContact CG-CZ 4.16Å; F482-F492 HydrophobicContact CB-CE1 4.46Å; F482-F492 AromaticContact CD2-CD1 3.71Å; F482-F492 HydrophobicContact CD2-CD1 3.71Å; F482-F492 AromaticContact CD2-CE1 3.98Å; F482-F492 HydrophobicContact CD2-CE1 3.98Å; F482-F492 HydrophobicContact CE2-CD1 4.18Å; D484-F492 HydrophobicContact CB-CE1 3.85Å; D484-F492 HydrophobicContact CB-CZ 3.98Å; S488-F492 WeakPolarHBondContact O-CD2 3.28Å; M489-F492 PolarHBondContact O-N 2.93Å; E490-F492 PolarHBondContact O-N 3.06Å; E490-F492 VanDerWaalsContact O-N 3.1Å; F492-H494 VanDerWaalsContact C-N 3.34Å; F492-H494 PolarHBondContact O-N 2.94Å; F492-R495 WeakPolarHBondContact O-CB 3.44Å; F492-R495 PolarHBondContact O-N 3.03Å
493Q78.2Confident88.8Confident102 Ų10263.7 Ų63.748%0.47734%0.336SS..Hα-helixtrans-61.1-39.2-171.8-174.9172.1-200113M489 E490M489-Q493 PolarHBondContact O-N 2.77Å; E490-Q493 PolarHBondContact O-N 2.91Å; E490-Q493 VanDerWaalsContact O-N 3.16Å
494H84.2Confident89Confident165 Ų16562.3 Ų62.376%0.76433%0.325SS*.THydrogen-bonded Turntrans-101.817.3-179.9-59.1-50.8000113.7F492F492-H494 VanDerWaalsContact C-N 3.34Å; F492-H494 PolarHBondContact O-N 2.94Å
495R93.5Very high89.3Confident78 Ų7865 Ų6529%0.29434%0.336SS..  trans-89.1146.5-178.9-158.2168.7-174.4151.6-6.1110.8W448 F482 D484 F492W448-R495 WeakPolarHBondContact CB-O 3.48Å; W448-R495 PolarHBondContact N-O 2.82Å; F482-R495 HydrophobicContact CD1-CG 4.31Å; F482-R495 HydrophobicContact CD2-CG 4.49Å; F482-R495 HydrophobicContact CE1-CG 3.88Å; F482-R495 HydrophobicContact CE2-CB 4.3Å; F482-R495 HydrophobicContact CE2-CG 4.09Å; F482-R495 HydrophobicContact CZ-CB 4.14Å; F482-R495 HydrophobicContact CZ-CG 3.76Å; D484-R495 IonicContact OD2-CZ 3.92Å; D484-R495 VanDerWaalsContact OD2-CZ 3.31Å; D484-R495 IonicContact OD2-NH1 3.47Å; D484-R495 PolarHBondContact OD2-NH1 3.37Å; D484-R495 IonicContact OD2-NH2 3.07Å; D484-R495 PolarHBondContact OD2-NH2 2.69Å; F492-R495 WeakPolarHBondContact O-CB 3.44Å; F492-R495 PolarHBondContact O-N 3.03Å
496S95Very high90Very high45 Ų4563.7 Ų63.732%0.31533%0.328SS..EExtended strand (participates in β ladder)trans-113.9124.6177.3-56.60000111.9R445 V446R445-S496 PolarHBondContact NH2-O 3.4Å; V446-S496 CarbonylContact O-C 3.59Å; V446-S496 WeakPolarHBondContact O-CA 3.49Å; V446-S496 WeakPolarHBondContact O-CB 3.3Å
497V97.3Very high90.5Very high0 Ų062.8 Ų62.80%032%0.32CS..EExtended strand (participates in β ladder)trans-84141.9174.9550000110.3W428 R445 V446 W448 M451 I481 F482 Q501W428-V497 HydrophobicContact CH2-CG1 4.41Å; R445-V497 CarbonylContact C-O 3.49Å; R445-V497 WeakPolarHBondContact CA-O 3.22Å; V446-V497 HydrophobicContact CG2-CG1 3.71Å; V446-V497 PolarHBondContact N-O 2.64Å; V446-V497 PolarHBondContact O-N 3.18Å; W448-V497 HydrophobicContact CE3-CB 4.35Å; W448-V497 HydrophobicContact CE3-CG1 4.21Å; M451-V497 HydrophobicContact CB-CG1 3.96Å; M451-V497 HydrophobicContact CE-CG1 4.12Å; M451-V497 HydrophobicContact CG-CG1 4.11Å; I481-V497 HydrophobicContact CD1-CG2 3.56Å; I481-V497 HydrophobicContact CG1-CG2 4.36Å; F482-V497 HydrophobicContact CE1-CB 4.1Å; F482-V497 HydrophobicContact CZ-CB 4.06Å; V497-Q501 HydrophobicContact CG2-CB 4.16Å
498S97.4Very high90.9Very high9 Ų962.1 Ų62.16%0.06332%0.316CS..EExtended strand (participates in β ladder)trans-95.4157.4170.763.80000113.2W428 E444 S500 Q501 F502W428-S498 VanDerWaalsContact CH2-C 3.4Å; E444-S498 CarbonylContact O-C 3.56Å; E444-S498 VanDerWaalsContact O-CA 3.3Å; E444-S498 WeakPolarHBondContact O-CA 3.23Å; S498-S500 PolarHBondContact O-N 3.17Å; S498-S500 PolarHBondContact OG-OG 2.94Å; S498-Q501 VanDerWaalsContact N-OE1 3.1Å; S498-Q501 PolarHBondContact O-N 3.13Å; S498-Q501 WeakPolarHBondContact OG-CB 3.37Å; S498-Q501 VanDerWaalsContact OG-CG 3.27Å; S498-Q501 WeakPolarHBondContact OG-CG 3.27Å; S498-Q501 PolarHBondContact OG-N 2.92Å; S498-Q501 PolarHBondContact OG-OE1 3.47Å; S498-F502 WeakPolarHBondContact O-CB 3.33Å; S498-F502 PolarHBondContact O-N 3.45Å
499W97Very high91.3Very high32 Ų3262.6 Ų62.612%0.12133%0.331CS..Hα-helixtrans-55.5-35.5168.6171-123.2000111.6E381 A424 W428 E444 F502 N503E381-W499 HydrophobicContact CG-CZ2 4.07Å; E381-W499 PolarHBondContact OE2-NE1 2.86Å; A424-W499 HydrophobicContact CB-CH2 3.72Å; A424-W499 HydrophobicContact CB-CZ3 4Å; W428-W499 HydrophobicContact CB-CE3 4.02Å; W428-W499 HydrophobicContact CB-CZ3 3.9Å; W428-W499 HydrophobicContact CD2-CB 4.47Å; W428-W499 AromaticContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CE3 3.71Å; W428-W499 HydrophobicContact CD2-CZ3 4.42Å; W428-W499 AromaticContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CE3 3.74Å; W428-W499 HydrophobicContact CE3-CZ3 4.4Å; W428-W499 AromaticContact CG-CE3 3.82Å; W428-W499 HydrophobicContact CG-CE3 3.82Å; W428-W499 HydrophobicContact CG-CZ3 4.23Å; W428-W499 HydrophobicContact CH2-CB 4.28Å; W428-W499 VanDerWaalsContact CH2-N 3.25Å; W428-W499 HydrophobicContact CZ2-CB 3.99Å; W428-W499 HydrophobicContact CZ3-CE3 4.48Å; E444-W499 PolarHBondContact O-N 2.82Å; W499-F502 AromaticContact CE3-CD1 3.9Å; W499-F502 HydrophobicContact CE3-CD1 3.9Å; W499-F502 AromaticContact CZ3-CD1 3.7Å; W499-F502 HydrophobicContact CZ3-CD1 3.7Å; W499-F502 HydrophobicContact CZ3-CE1 4.15Å; W499-F502 PolarHBondContact O-N 2.94Å; W499-N503 HydrophobicContact CH2-CB 4.05Å; W499-N503 HydrophobicContact CZ3-CB 4.13Å; W499-N503 PolarHBondContact O-N 2.91Å
500S95.6Very high91.9Very high31 Ų3163.1 Ų63.122%0.21733%0.328CS..Hα-helixtrans-63.5-50.1175.565.70000112.1S498 F502 K504 E505S498-S500 PolarHBondContact O-N 3.17Å; S498-S500 PolarHBondContact OG-OG 2.94Å; S500-F502 PolarHBondContact O-N 2.84Å; S500-K504 CarbonylContact O-C 3.56Å; S500-K504 WeakPolarHBondContact O-CA 3.32Å; S500-K504 PolarHBondContact O-N 3.15Å; S500-E505 WeakPolarHBondContact CB-OE1 3.3Å; S500-E505 WeakPolarHBondContact O-CB 3.37Å; S500-E505 PolarHBondContact O-N 2.84Å; S500-E505 PolarHBondContact OG-OE1 2.89Å
501Q96.8Very high92.5Very high46 Ų4658.8 Ų58.822%0.21533%0.326CS..Hα-helixtrans-59.9-31.9175.5-74.9170.7-27.400112.6I481 V497 S498 E505I481-Q501 HydrophobicContact CG1-CB 4.47Å; V497-Q501 HydrophobicContact CG2-CB 4.16Å; S498-Q501 VanDerWaalsContact N-OE1 3.1Å; S498-Q501 PolarHBondContact O-N 3.13Å; S498-Q501 WeakPolarHBondContact OG-CB 3.37Å; S498-Q501 VanDerWaalsContact OG-CG 3.27Å; S498-Q501 WeakPolarHBondContact OG-CG 3.27Å; S498-Q501 PolarHBondContact OG-N 2.92Å; S498-Q501 PolarHBondContact OG-OE1 3.47Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.46Å; Q501-E505 PolarHBondContact N-OE1 3.35Å
502F97.6Very high93.1Very high0 Ų057.3 Ų57.30%031%0.31CS..Hα-helixtrans-76.1-49.6-178.5-174.7-105.8000113.4A424 L427 W428 M451 L455 I481 S498 W499 S500 F514 W515A424-F502 HydrophobicContact CB-CE1 4.18Å; L427-F502 HydrophobicContact CD2-CZ 3.86Å; W428-F502 HydrophobicContact CE3-CB 4.13Å; W428-F502 AromaticContact CE3-CD1 3.77Å; W428-F502 HydrophobicContact CE3-CD1 3.77Å; W428-F502 HydrophobicContact CE3-CE1 4.31Å; W428-F502 AromaticContact CE3-CG 3.91Å; W428-F502 HydrophobicContact CE3-CG 3.91Å; W428-F502 HydrophobicContact CZ3-CB 3.66Å; W428-F502 HydrophobicContact CZ3-CD1 4.17Å; W428-F502 HydrophobicContact CZ3-CD2 4.4Å; W428-F502 AromaticContact CZ3-CG 3.84Å; W428-F502 HydrophobicContact CZ3-CG 3.84Å; M451-F502 HydrophobicContact CE-CD2 3.91Å; M451-F502 HydrophobicContact CE-CE2 4.01Å; M451-F502 HydrophobicContact CE-CG 4.42Å; M451-F502 HydrophobicContact SD-CD2 4.15Å; M451-F502 HydrophobicContact SD-CE2 3.81Å; L455-F502 HydrophobicContact CD2-CE2 4.22Å; I481-F502 HydrophobicContact CD1-CD2 4.33Å; S498-F502 WeakPolarHBondContact O-CB 3.33Å; S498-F502 PolarHBondContact O-N 3.45Å; W499-F502 AromaticContact CE3-CD1 3.9Å; W499-F502 HydrophobicContact CE3-CD1 3.9Å; W499-F502 AromaticContact CZ3-CD1 3.7Å; W499-F502 HydrophobicContact CZ3-CD1 3.7Å; W499-F502 HydrophobicContact CZ3-CE1 4.15Å; W499-F502 PolarHBondContact O-N 2.94Å; S500-F502 PolarHBondContact O-N 2.84Å; F502-F514 AromaticContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CE1 4.21Å; F502-F514 HydrophobicContact CE2-CD1 4.06Å; F502-F514 HydrophobicContact CE2-CE1 4.09Å; F502-W515 HydrophobicContact CD1-CB 4.26Å; F502-W515 HydrophobicContact CE1-CB 3.94Å; F502-W515 HydrophobicContact CE1-CD2 4.15Å; F502-W515 HydrophobicContact CE1-CE3 4.14Å; F502-W515 HydrophobicContact CE1-CG 4.08Å; F502-W515 HydrophobicContact CE2-CB 4.37Å; F502-W515 HydrophobicContact CE2-CE3 4.13Å; F502-W515 HydrophobicContact CZ-CB 3.99Å; F502-W515 AromaticContact CZ-CD2 3.88Å; F502-W515 HydrophobicContact CZ-CD2 3.88Å; F502-W515 AromaticContact CZ-CE3 3.41Å; F502-W515 HydrophobicContact CZ-CE3 3.41Å; F502-W515 VanDerWaalsContact CZ-CE3 3.41Å; F502-W515 HydrophobicContact CZ-CG 4.14Å; F502-W515 HydrophobicContact CZ-CZ3 4.22Å; F502-W515 WeakPolarHBondContact O-CB 3.46Å; F502-W515 PolarHBondContact O-N 3.46Å
503N96.7Very high93.6Very high12 Ų1257.3 Ų57.36%0.06431%0.311CS..Hα-helixtrans-145.627.4-175-158.248.7000117N421 A424 W499 T513 W515N421-N503 PolarHBondContact OD1-ND2 3.39Å; N421-N503 PolarHBondContact OD1-OD1 2.84Å; A424-N503 HydrophobicContact CB-CB 3.97Å; A424-N503 WeakPolarHBondContact CB-ND2 3.5Å; W499-N503 HydrophobicContact CH2-CB 4.05Å; W499-N503 HydrophobicContact CZ3-CB 4.13Å; W499-N503 PolarHBondContact O-N 2.91Å; N503-T513 PolarHBondContact OD1-OG1 3.06Å; N503-W515 HydrophobicContact CB-CB 4.12Å
504K93.8Very high94.5Very high80 Ų8052.5 Ų52.535%0.34829%0.288SS..THydrogen-bonded Turntrans-127.1-41.7165.9-60.8-169.4174.5-174.30113.5E381 S500E381-K504 WeakPolarHBondContact OE1-CE 3.32Å; E381-K504 IonicContact OE1-NZ 2.78Å; E381-K504 PolarHBondContact OE1-NZ 2.69Å; E381-K504 WeakPolarHBondContact OE2-CE 3.3Å; E381-K504 IonicContact OE2-NZ 3.47Å; E381-K504 PolarHBondContact OE2-NZ 3.45Å; S500-K504 CarbonylContact O-C 3.56Å; S500-K504 WeakPolarHBondContact O-CA 3.32Å; S500-K504 PolarHBondContact O-N 3.15Å
505E95Very high95.2Very high90 Ų9044.6 Ų44.642%0.42125%0.252SS..SBendtrans-71.2129.3178.4-69.3167-135.700109.6S500 Q501 T513S500-E505 WeakPolarHBondContact CB-OE1 3.3Å; S500-E505 WeakPolarHBondContact O-CB 3.37Å; S500-E505 PolarHBondContact O-N 2.84Å; S500-E505 PolarHBondContact OG-OE1 2.89Å; Q501-E505 WeakPolarHBondContact CG-OE2 3.46Å; Q501-E505 PolarHBondContact N-OE1 3.35Å; E505-T513 WeakPolarHBondContact O-CA 3.49Å
506I95.2Very high95.3Very high103 Ų10342.9 Ų42.953%0.52825%0.247SC..BIsolated β-bridgetrans-82.3131.5176.8-65.2172.4000107.8L508 R510I506-L508 PolarHBondContact O-N 2.83Å; I506-R510 WeakPolarHBondContact CG2-O 3.47Å
507L94Very high95.5Very high24 Ų2440.8 Ų40.813%0.12623%0.232CC..PPolyproline II helixtrans-60.3137.7178-65.8177.2000110.5K480 G509 R510 F512 F514K480-L507 HydrophobicContact CD-CD1 4.21Å; K480-L507 HydrophobicContact CG-CD1 4.15Å; K480-L507 HydrophobicContact CG-CD2 4.4Å; L507-G509 PolarHBondContact O-N 2.94Å; L507-R510 HydrophobicContact CB-CB 4.04Å; L507-R510 HydrophobicContact CB-CG 3.89Å; L507-R510 VanDerWaalsContact O-CB 3.32Å; L507-R510 WeakPolarHBondContact O-CB 3.3Å; L507-R510 PolarHBondContact O-N 3.19Å; L507-F512 HydrophobicContact CD1-CD2 4.36Å; L507-F512 HydrophobicContact CD1-CE2 4.23Å; L507-F512 PolarHBondContact N-O 2.83Å; L507-F514 HydrophobicContact CD2-CB 4.24Å
508L88.9Confident95.5Very high130 Ų13040.8 Ų40.868%0.68123%0.232SC*.THydrogen-bonded Turntrans-57.8129.9-176.7-63.6-171.1000111.6N483 I506 R510N483-L508 WeakPolarHBondContact OD1-CD1 3.46Å; I506-L508 PolarHBondContact O-N 2.83Å; L508-R510 VanDerWaalsContact C-N 3.31Å; L508-R510 PolarHBondContact O-N 3.13Å
509G88.1Confident95.5Very high71 Ų7140.9 Ų40.973%0.73223%0.232SC*.THydrogen-bonded Turntrans70.820.7-175.400000114.7L507L507-G509 PolarHBondContact O-N 2.94Å
510R93.1Very high95.5Very high97 Ų9739.7 Ų39.737%0.36623%0.23SC..SBendtrans-127.3173.5174.9-55-61.4175.4-1176.1111.6I506 L507 L508 F512 D565I506-R510 WeakPolarHBondContact CG2-O 3.47Å; L507-R510 HydrophobicContact CB-CB 4.04Å; L507-R510 HydrophobicContact CB-CG 3.89Å; L507-R510 VanDerWaalsContact O-CB 3.32Å; L507-R510 WeakPolarHBondContact O-CB 3.3Å; L507-R510 PolarHBondContact O-N 3.19Å; L508-R510 VanDerWaalsContact C-N 3.31Å; L508-R510 PolarHBondContact O-N 3.13Å; R510-F512 HydrophobicContact CB-CD1 4.34Å; R510-F512 HydrophobicContact CB-CD2 4.07Å; R510-F512 HydrophobicContact CB-CE1 4.2Å; R510-F512 HydrophobicContact CB-CE2 3.9Å; R510-F512 HydrophobicContact CB-CG 4.3Å; R510-F512 HydrophobicContact CB-CZ 4Å; R510-F512 HydrophobicContact CG-CD2 4.45Å; R510-F512 HydrophobicContact CG-CE2 3.83Å; R510-F512 HydrophobicContact CG-CZ 3.89Å; R510-D565 PolarHBondContact NE-O 3.45Å; R510-D565 PolarHBondContact NH2-O 2.94Å
511G94.3Very high95.6Very high67 Ų6738.3 Ų38.369%0.69122%0.22SC*.SBendtrans-113.423.1172.300000113.3
512F96.1Very high95.6Very high17 Ų1736.1 Ų36.18%0.07521%0.21CC..SBendtrans-149.6159-173.649.3-107.4000112.8L507 R510 Q516 W517 S566 I568L507-F512 HydrophobicContact CD1-CD2 4.36Å; L507-F512 HydrophobicContact CD1-CE2 4.23Å; L507-F512 PolarHBondContact N-O 2.83Å; R510-F512 HydrophobicContact CB-CD1 4.34Å; R510-F512 HydrophobicContact CB-CD2 4.07Å; R510-F512 HydrophobicContact CB-CE1 4.2Å; R510-F512 HydrophobicContact CB-CE2 3.9Å; R510-F512 HydrophobicContact CB-CG 4.3Å; R510-F512 HydrophobicContact CB-CZ 4Å; R510-F512 HydrophobicContact CG-CD2 4.45Å; R510-F512 HydrophobicContact CG-CE2 3.83Å; R510-F512 HydrophobicContact CG-CZ 3.89Å; F512-Q516 VanDerWaalsContact CA-OE1 3.31Å; F512-Q516 HydrophobicContact CB-CB 4.11Å; F512-W517 HydrophobicContact CD2-CB 3.79Å; F512-W517 HydrophobicContact CE2-CB 3.69Å; F512-W517 AromaticContact CE2-CD1 3.95Å; F512-W517 HydrophobicContact CE2-CG 4.08Å; F512-S566 WeakPolarHBondContact CE1-O 3.34Å; F512-I568 HydrophobicContact CB-CD1 3.83Å; F512-I568 HydrophobicContact CB-CG1 4.4Å; F512-I568 HydrophobicContact CD1-CD1 3.75Å; F512-I568 HydrophobicContact CD1-CG1 3.61Å; F512-I568 HydrophobicContact CD2-CG1 4.39Å; F512-I568 HydrophobicContact CE1-CD1 4.46Å; F512-I568 HydrophobicContact CE1-CG1 3.83Å; F512-I568 HydrophobicContact CG-CD1 3.87Å; F512-I568 HydrophobicContact CG-CG1 3.9Å; F512-I568 HydrophobicContact CZ-CG1 4.3Å
513T97Very high95.5Very high5 Ų539 Ų393%0.03123%0.225CC..BIsolated β-bridgetrans-79.6170.3178.169.30000112.4N503 E505 Q516 W517N503-T513 PolarHBondContact OD1-OG1 3.06Å; E505-T513 WeakPolarHBondContact O-CA 3.49Å; T513-Q516 WeakPolarHBondContact OG1-CB 3.45Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.35Å; T513-Q516 PolarHBondContact OG1-N 3.47Å; T513-Q516 VanDerWaalsContact OG1-N 3.13Å; T513-W517 PolarHBondContact O-N 3.46Å
514F98.1Very high95.5Very high0 Ų038.4 Ų38.40%022%0.222CC..Hα-helixtrans-57-50.3172.3174-91.7000112.2L455 L477 K480 I481 F502 L507 W517 F518L455-F514 HydrophobicContact CD1-CE1 4.13Å; L455-F514 HydrophobicContact CD1-CZ 4.14Å; L455-F514 HydrophobicContact CD2-CE1 4.37Å; L477-F514 HydrophobicContact CB-CE2 4.48Å; L477-F514 HydrophobicContact CB-CZ 4.44Å; L477-F514 HydrophobicContact CD2-CE2 3.98Å; L477-F514 HydrophobicContact CD2-CZ 3.94Å; K480-F514 HydrophobicContact CD-CD2 4.36Å; K480-F514 HydrophobicContact CD-CE2 4.49Å; K480-F514 HydrophobicContact CG-CD2 4.35Å; I481-F514 HydrophobicContact CB-CD2 3.62Å; I481-F514 HydrophobicContact CB-CE2 3.82Å; I481-F514 HydrophobicContact CB-CG 4.12Å; I481-F514 HydrophobicContact CB-CZ 4.48Å; I481-F514 HydrophobicContact CD1-CB 4.27Å; I481-F514 HydrophobicContact CD1-CD1 3.65Å; I481-F514 HydrophobicContact CD1-CD2 4.05Å; I481-F514 HydrophobicContact CD1-CE1 3.92Å; I481-F514 HydrophobicContact CD1-CE2 4.28Å; I481-F514 HydrophobicContact CD1-CG 3.71Å; I481-F514 HydrophobicContact CD1-CZ 4.21Å; I481-F514 HydrophobicContact CG1-CB 4.05Å; I481-F514 HydrophobicContact CG1-CD1 4.25Å; I481-F514 HydrophobicContact CG1-CD2 3.83Å; I481-F514 HydrophobicContact CG1-CE2 4.33Å; I481-F514 HydrophobicContact CG1-CG 3.77Å; F502-F514 AromaticContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CD1 3.88Å; F502-F514 HydrophobicContact CD2-CE1 4.21Å; F502-F514 HydrophobicContact CE2-CD1 4.06Å; F502-F514 HydrophobicContact CE2-CE1 4.09Å; L507-F514 HydrophobicContact CD2-CB 4.24Å; F514-W517 HydrophobicContact CE2-CZ3 4.33Å; F514-W517 PolarHBondContact O-N 3.13Å; F514-F518 HydrophobicContact CE1-CB 4.49Å; F514-F518 PolarHBondContact O-N 2.98Å
515W97.8Very high95.7Very high0 Ų034.6 Ų34.60%021%0.205CC..Hα-helixtrans-64.8-41.9-179.3170.7-99.7000113N420 K423 A424 L427 K458 F502 N503 W517 F518 D519 L522N420-W515 PolarHBondContact O-NE1 3.07Å; K423-W515 HydrophobicContact CB-CZ2 3.95Å; A424-W515 VanDerWaalsContact CB-CD1 3.43Å; A424-W515 HydrophobicContact CB-CD2 4.3Å; A424-W515 HydrophobicContact CB-CG 3.84Å; L427-W515 HydrophobicContact CD2-CE3 4.18Å; L427-W515 HydrophobicContact CD2-CH2 4Å; L427-W515 HydrophobicContact CD2-CZ3 3.61Å; K458-W515 HydrophobicContact CG-CH2 4.41Å; F502-W515 HydrophobicContact CD1-CB 4.26Å; F502-W515 HydrophobicContact CE1-CB 3.94Å; F502-W515 HydrophobicContact CE1-CD2 4.15Å; F502-W515 HydrophobicContact CE1-CE3 4.14Å; F502-W515 HydrophobicContact CE1-CG 4.08Å; F502-W515 HydrophobicContact CE2-CB 4.37Å; F502-W515 HydrophobicContact CE2-CE3 4.13Å; F502-W515 HydrophobicContact CZ-CB 3.99Å; F502-W515 AromaticContact CZ-CD2 3.88Å; F502-W515 HydrophobicContact CZ-CD2 3.88Å; F502-W515 AromaticContact CZ-CE3 3.41Å; F502-W515 HydrophobicContact CZ-CE3 3.41Å; F502-W515 VanDerWaalsContact CZ-CE3 3.41Å; F502-W515 HydrophobicContact CZ-CG 4.14Å; F502-W515 HydrophobicContact CZ-CZ3 4.22Å; F502-W515 WeakPolarHBondContact O-CB 3.46Å; F502-W515 PolarHBondContact O-N 3.46Å; N503-W515 HydrophobicContact CB-CB 4.12Å; W515-W517 PolarHBondContact O-N 2.71Å; W515-F518 HydrophobicContact CE3-CD1 4.21Å; W515-F518 AromaticContact CZ3-CD1 3.91Å; W515-F518 HydrophobicContact CZ3-CD1 3.91Å; W515-F518 PolarHBondContact O-N 3.09Å; W515-F518 VanDerWaalsContact O-N 3.09Å; W515-D519 HydrophobicContact CD2-CB 4.29Å; W515-D519 HydrophobicContact CH2-CB 4.14Å; W515-D519 HydrophobicContact CZ2-CB 3.67Å; W515-D519 PolarHBondContact O-N 3.04Å; W515-L522 HydrophobicContact CH2-CD1 4.03Å; W515-L522 HydrophobicContact CZ3-CD1 4.19Å
516Q97.3Very high95.8Very high42 Ų4234.9 Ų34.920%0.19621%0.205CC..Hα-helixtrans-56.4-41.5177.4-77162.110.100111.8N420 N421 F512 T513 G520 I568N420-Q516 WeakPolarHBondContact OD1-CG 3.41Å; N421-Q516 PolarHBondContact OD1-NE2 3.42Å; F512-Q516 VanDerWaalsContact CA-OE1 3.31Å; F512-Q516 HydrophobicContact CB-CB 4.11Å; T513-Q516 WeakPolarHBondContact OG1-CB 3.45Å; T513-Q516 WeakPolarHBondContact OG1-CG 3.35Å; T513-Q516 PolarHBondContact OG1-N 3.47Å; T513-Q516 VanDerWaalsContact OG1-N 3.13Å; Q516-G520 PolarHBondContact O-N 2.9Å; Q516-I568 WeakPolarHBondContact O-CG2 3.42Å
517W97.8Very high95.8Very high0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-67.1-45.5173.3169.582000112.7F476 L477 K480 F512 T513 F514 W515 G520 V521 F541 S564F476-W517 AromaticContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CH2 3.83Å; F476-W517 HydrophobicContact CE1-CZ2 4.13Å; L477-W517 HydrophobicContact CD2-CH2 3.87Å; L477-W517 HydrophobicContact CD2-CZ3 3.61Å; K480-W517 HydrophobicContact CD-CD2 3.97Å; K480-W517 HydrophobicContact CD-CE3 3.62Å; K480-W517 HydrophobicContact CD-CH2 3.86Å; K480-W517 HydrophobicContact CD-CZ2 4.17Å; K480-W517 HydrophobicContact CD-CZ3 3.56Å; K480-W517 VanDerWaalsContact CE-CH2 3.48Å; F512-W517 HydrophobicContact CD2-CB 3.79Å; F512-W517 HydrophobicContact CE2-CB 3.69Å; F512-W517 AromaticContact CE2-CD1 3.95Å; F512-W517 HydrophobicContact CE2-CG 4.08Å; T513-W517 PolarHBondContact O-N 3.46Å; F514-W517 HydrophobicContact CE2-CZ3 4.33Å; F514-W517 PolarHBondContact O-N 3.13Å; W515-W517 PolarHBondContact O-N 2.71Å; W517-G520 PolarHBondContact O-N 3.45Å; W517-V521 HydrophobicContact CZ2-CG2 4.13Å; W517-V521 PolarHBondContact O-N 2.94Å; W517-V521 VanDerWaalsContact O-N 3.07Å; W517-F541 AromaticContact CH2-CD1 3.9Å; W517-F541 HydrophobicContact CH2-CD1 3.9Å; W517-F541 AromaticContact CH2-CE1 3.79Å; W517-F541 HydrophobicContact CH2-CE1 3.79Å; W517-F541 HydrophobicContact CZ3-CE1 4.42Å; W517-S564 PolarHBondContact NE1-O 3Å
518F98.1Very high95.9Very high0 Ų037.3 Ų37.30%021%0.212CC..Hα-helixtrans-67.5-42.1-176.9-171.3-100000113.1L455 F459 L469 L477 F514 W515 G520 V521 L522 F541L455-F518 HydrophobicContact CB-CE1 4.28Å; L455-F518 HydrophobicContact CB-CZ 4.07Å; L455-F518 HydrophobicContact CD2-CD1 3.73Å; L455-F518 HydrophobicContact CD2-CE1 3.51Å; L455-F518 HydrophobicContact CD2-CG 4.38Å; L455-F518 HydrophobicContact CD2-CZ 3.99Å; L455-F518 HydrophobicContact CG-CE1 4.47Å; F459-F518 HydrophobicContact CD2-CZ 4.21Å; L469-F518 HydrophobicContact CD1-CZ 4.41Å; L477-F518 HydrophobicContact CD1-CE2 4.13Å; L477-F518 HydrophobicContact CD2-CD2 4Å; L477-F518 HydrophobicContact CD2-CE2 4.13Å; F514-F518 HydrophobicContact CE1-CB 4.49Å; F514-F518 PolarHBondContact O-N 2.98Å; W515-F518 HydrophobicContact CE3-CD1 4.21Å; W515-F518 AromaticContact CZ3-CD1 3.91Å; W515-F518 HydrophobicContact CZ3-CD1 3.91Å; W515-F518 PolarHBondContact O-N 3.09Å; W515-F518 VanDerWaalsContact O-N 3.09Å; F518-G520 VanDerWaalsContact C-N 3.32Å; F518-G520 PolarHBondContact O-N 3.2Å; F518-V521 WeakPolarHBondContact O-CA 3.39Å; F518-V521 WeakPolarHBondContact O-CB 3.31Å; F518-V521 PolarHBondContact O-N 3.17Å; F518-V521 VanDerWaalsContact O-N 3.11Å; F518-L522 HydrophobicContact CD1-CD1 3.52Å; F518-L522 HydrophobicContact CD1-CG 4.2Å; F518-L522 HydrophobicContact CE1-CD1 3.59Å; F518-L522 HydrophobicContact CE1-CD2 4.34Å; F518-L522 HydrophobicContact CE1-CG 4.05Å; F518-L522 WeakPolarHBondContact O-CG 3.37Å; F518-L522 PolarHBondContact O-N 3.18Å; F518-F541 AromaticContact CD2-CE1 3.99Å; F518-F541 HydrophobicContact CD2-CE1 3.99Å; F518-F541 HydrophobicContact CD2-CZ 4.35Å; F518-F541 AromaticContact CE2-CE1 3.77Å; F518-F541 HydrophobicContact CE2-CE1 3.77Å; F518-F541 AromaticContact CE2-CZ 3.8Å; F518-F541 HydrophobicContact CE2-CZ 3.8Å
519D97.4Very high96.3Very high11 Ų1131.1 Ų31.16%0.05918%0.179CC..Hα-helixtrans-68.6-29.4174.3-17363.9000112.2N420 K423 W515 L522 D523N420-D519 VanDerWaalsContact ND2-CB 3.27Å; N420-D519 WeakPolarHBondContact ND2-CB 3.35Å; N420-D519 PolarHBondContact ND2-OD2 3.34Å; K423-D519 IonicContact NZ-OD1 2.73Å; K423-D519 IonicContact NZ-OD2 3.68Å; W515-D519 HydrophobicContact CD2-CB 4.29Å; W515-D519 HydrophobicContact CH2-CB 4.14Å; W515-D519 HydrophobicContact CZ2-CB 3.67Å; W515-D519 PolarHBondContact O-N 3.04Å; D519-L522 HydrophobicContact CB-CD1 4.27Å; D519-L522 WeakPolarHBondContact O-CB 3.41Å; D519-L522 PolarHBondContact O-N 2.99Å; D519-D523 VanDerWaalsContact O-CB 3.27Å; D519-D523 WeakPolarHBondContact O-CB 3.46Å; D519-D523 PolarHBondContact O-N 3.25Å
520G96.9Very high96.7Very high8 Ų834.2 Ų34.28%0.08217%0.169CC..Hα-helixtrans-62.5-39.4166.200000113.4Q516 W517 F518 L524 G569Q516-G520 PolarHBondContact O-N 2.9Å; W517-G520 PolarHBondContact O-N 3.45Å; F518-G520 VanDerWaalsContact C-N 3.32Å; F518-G520 PolarHBondContact O-N 3.2Å; G520-L524 WeakPolarHBondContact O-CB 3.41Å; G520-L524 PolarHBondContact O-N 3.23Å; G520-G569 WeakPolarHBondContact O-CA 3.45Å
521V97.3Very high96.9Very high1 Ų132.8 Ų32.81%0.00617%0.174CC..Hα-helixtrans-69.1-40174.2168.90000111.5W517 F518 T525 F541 F563W517-V521 HydrophobicContact CZ2-CG2 4.13Å; W517-V521 PolarHBondContact O-N 2.94Å; W517-V521 VanDerWaalsContact O-N 3.07Å; F518-V521 WeakPolarHBondContact O-CA 3.39Å; F518-V521 WeakPolarHBondContact O-CB 3.31Å; F518-V521 PolarHBondContact O-N 3.17Å; F518-V521 VanDerWaalsContact O-N 3.11Å; V521-T525 VanDerWaalsContact O-CB 3.28Å; V521-T525 WeakPolarHBondContact O-CB 3.44Å; V521-T525 PolarHBondContact O-N 3.29Å; V521-T525 PolarHBondContact O-OG1 3.36Å; V521-F541 HydrophobicContact CG1-CE1 4.17Å; V521-F541 HydrophobicContact CG1-CZ 3.77Å; V521-F563 HydrophobicContact CG1-CD1 3.89Å; V521-F563 HydrophobicContact CG1-CD2 3.47Å; V521-F563 VanDerWaalsContact CG1-CD2 3.47Å; V521-F563 HydrophobicContact CG1-CE1 3.87Å; V521-F563 HydrophobicContact CG1-CE2 3.45Å; V521-F563 VanDerWaalsContact CG1-CE2 3.45Å; V521-F563 HydrophobicContact CG1-CG 3.71Å; V521-F563 HydrophobicContact CG1-CZ 3.67Å; V521-F563 HydrophobicContact CG2-CB 3.98Å; V521-F563 HydrophobicContact CG2-CD1 4.28Å; V521-F563 HydrophobicContact CG2-CD2 4.38Å; V521-F563 HydrophobicContact CG2-CG 3.96Å
522L96.5Very high97Very high0 Ų030.4 Ų30.40%014%0.144CC..Hα-helixtrans-56.3-52.5171.5-73.1154.4000110.9K458 F459 E462 V463 W515 F518 D519 T525 K526K458-L522 HydrophobicContact CG-CD1 4.46Å; F459-L522 VanDerWaalsContact CA-CD2 3.48Å; F459-L522 HydrophobicContact CB-CD2 4.03Å; F459-L522 HydrophobicContact CD2-CD2 3.82Å; F459-L522 HydrophobicContact CD2-CG 4.48Å; F459-L522 HydrophobicContact CG-CD2 4.17Å; E462-L522 HydrophobicContact CB-CD2 3.98Å; E462-L522 HydrophobicContact CG-CB 4.39Å; E462-L522 HydrophobicContact CG-CD2 4.38Å; V463-L522 HydrophobicContact CG2-CD2 4.46Å; W515-L522 HydrophobicContact CH2-CD1 4.03Å; W515-L522 HydrophobicContact CZ3-CD1 4.19Å; F518-L522 HydrophobicContact CD1-CD1 3.52Å; F518-L522 HydrophobicContact CD1-CG 4.2Å; F518-L522 HydrophobicContact CE1-CD1 3.59Å; F518-L522 HydrophobicContact CE1-CD2 4.34Å; F518-L522 HydrophobicContact CE1-CG 4.05Å; F518-L522 WeakPolarHBondContact O-CG 3.37Å; F518-L522 PolarHBondContact O-N 3.18Å; D519-L522 HydrophobicContact CB-CD1 4.27Å; D519-L522 WeakPolarHBondContact O-CB 3.41Å; D519-L522 PolarHBondContact O-N 2.99Å; L522-T525 PolarHBondContact O-N 2.83Å; L522-K526 VanDerWaalsContact O-CB 3.23Å; L522-K526 WeakPolarHBondContact O-CB 3.5Å; L522-K526 PolarHBondContact O-N 3.01Å
523D95.8Very high97.1Very high60 Ų6029.6 Ų29.632%0.32114%0.14SC..Hα-helixtrans-69.3-37-176.2-175.632.6000113D519 R527D519-D523 VanDerWaalsContact O-CB 3.27Å; D519-D523 WeakPolarHBondContact O-CB 3.46Å; D519-D523 PolarHBondContact O-N 3.25Å; D523-R527 WeakPolarHBondContact O-CB 3.49Å; D523-R527 WeakPolarHBondContact O-CG 3.39Å; D523-R527 PolarHBondContact O-N 2.86Å; D523-R527 PolarHBondContact O-NE 2.88Å; D523-R527 VanDerWaalsContact O-NE 3.17Å; D523-R527 IonicContact OD1-CZ 3.85Å; D523-R527 IonicContact OD1-NE 3.01Å; D523-R527 PolarHBondContact OD1-NE 2.86Å; D523-R527 IonicContact OD1-NH1 3.3Å; D523-R527 PolarHBondContact OD1-NH1 2.94Å; D523-R527 IonicContact OD1-NH2 2.71Å; D523-R527 PolarHBondContact OD1-NH2 2.92Å; D523-R527 IonicContact OD2-CZ 2.65Å; D523-R527 IonicContact OD2-NE 3.97Å; D523-R527 IonicContact OD2-NH1 2.62Å; D523-R527 PolarHBondContact OD2-NH1 2.72Å; D523-R527 IonicContact OD2-NH2 3.17Å; D523-R527 PolarHBondContact OD2-NH2 2.66Å
524L97.6Very high97Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-60.4-48.4166.9179.970000111.1G520 R527 C528 L529 F563 G569 I571 A594 L597G520-L524 WeakPolarHBondContact O-CB 3.41Å; G520-L524 PolarHBondContact O-N 3.23Å; L524-R527 PolarHBondContact O-N 3.38Å; L524-C528 HydrophobicContact CD1-CB 4.37Å; L524-C528 WeakPolarHBondContact O-CB 3.34Å; L524-C528 PolarHBondContact O-N 2.76Å; L524-L529 HydrophobicContact CD2-CD1 3.71Å; L524-L529 HydrophobicContact CG-CD1 3.8Å; L524-L529 HydrophobicContact CG-CG 4.4Å; L524-F563 HydrophobicContact CD2-CD1 4.33Å; L524-F563 HydrophobicContact CD2-CE1 4.36Å; L524-G569 WeakPolarHBondContact CD1-O 3.47Å; L524-G569 WeakPolarHBondContact CD2-O 3.5Å; L524-I571 HydrophobicContact CD2-CB 3.93Å; L524-I571 HydrophobicContact CD2-CG2 4.1Å; L524-A594 HydrophobicContact CD1-CB 4.02Å; L524-L597 HydrophobicContact CD1-CD1 3.95Å
525T97.8Very high96.9Very high0 Ų034.5 Ų34.50%017%0.169CC..Iπ-helixtrans-67.3-46.4-173.4-54.90000111F459 V463 V521 L522 R527 L529 R530 W533 F563F459-T525 HydrophobicContact CZ-CG2 4.08Å; V463-T525 HydrophobicContact CB-CG2 4.49Å; V463-T525 HydrophobicContact CG1-CG2 3.68Å; V463-T525 HydrophobicContact CG2-CG2 3.9Å; V521-T525 VanDerWaalsContact O-CB 3.28Å; V521-T525 WeakPolarHBondContact O-CB 3.44Å; V521-T525 PolarHBondContact O-N 3.29Å; V521-T525 PolarHBondContact O-OG1 3.36Å; L522-T525 PolarHBondContact O-N 2.83Å; T525-R527 PolarHBondContact O-N 3.02Å; T525-L529 HydrophobicContact CG2-CB 4.15Å; T525-L529 CarbonylContact O-C 3.59Å; T525-L529 PolarHBondContact O-N 3.46Å; T525-R530 PolarHBondContact O-N 2.63Å; T525-W533 HydrophobicContact CG2-CB 4.17Å; T525-W533 HydrophobicContact CG2-CG 4.4Å; T525-F563 WeakPolarHBondContact OG1-CZ 3.46Å
526K96.1Very high96.8Very high96 Ų9638.2 Ų38.242%0.41718%0.183SC..Iπ-helixtrans-52.6-48.6174.9-178.8-178.4-165.5177.60112.9E462 L522E462-K526 HydrophobicContact CG-CD 4.35Å; E462-K526 WeakPolarHBondContact O-CD 3.49Å; E462-K526 VanDerWaalsContact O-CE 3.29Å; E462-K526 WeakPolarHBondContact O-CE 3.38Å; E462-K526 VanDerWaalsContact O-CG 3.27Å; E462-K526 WeakPolarHBondContact O-CG 3.46Å; E462-K526 IonicContact OE1-NZ 3.04Å; E462-K526 PolarHBondContact OE1-NZ 3Å; L522-K526 VanDerWaalsContact O-CB 3.23Å; L522-K526 WeakPolarHBondContact O-CB 3.5Å; L522-K526 PolarHBondContact O-N 3.01Å
527R95.4Very high96.8Very high140 Ų14036.7 Ų36.753%0.52818%0.176SC..Iπ-helixtrans-80.2-38.1-175.5-67.2-177.2-59.1-137.6-10.5114D523 L524 T525D523-R527 WeakPolarHBondContact O-CB 3.49Å; D523-R527 WeakPolarHBondContact O-CG 3.39Å; D523-R527 PolarHBondContact O-N 2.86Å; D523-R527 PolarHBondContact O-NE 2.88Å; D523-R527 VanDerWaalsContact O-NE 3.17Å; D523-R527 IonicContact OD1-CZ 3.85Å; D523-R527 IonicContact OD1-NE 3.01Å; D523-R527 PolarHBondContact OD1-NE 2.86Å; D523-R527 IonicContact OD1-NH1 3.3Å; D523-R527 PolarHBondContact OD1-NH1 2.94Å; D523-R527 IonicContact OD1-NH2 2.71Å; D523-R527 PolarHBondContact OD1-NH2 2.92Å; D523-R527 IonicContact OD2-CZ 2.65Å; D523-R527 IonicContact OD2-NE 3.97Å; D523-R527 IonicContact OD2-NH1 2.62Å; D523-R527 PolarHBondContact OD2-NH1 2.72Å; D523-R527 IonicContact OD2-NH2 3.17Å; D523-R527 PolarHBondContact OD2-NH2 2.66Å; L524-R527 PolarHBondContact O-N 3.38Å; T525-R527 PolarHBondContact O-N 3.02Å
528C96.8Very high96.8Very high38 Ų3837.1 Ų37.126%0.25718%0.178SC..Iπ-helixtrans-123-24.4-164-59.30000114.8L524 L597L524-C528 HydrophobicContact CD1-CB 4.37Å; L524-C528 WeakPolarHBondContact O-CB 3.34Å; L524-C528 PolarHBondContact O-N 2.76Å; C528-L597 HydrophobicContact CB-CB 4.17Å; C528-L597 HydrophobicContact CB-CD1 3.66Å
529L97.5Very high96.7Very high0 Ų038.9 Ų38.90%019%0.187CC..Iπ-helixtrans-124.5-4.6-164.9-49171.2000115.5L524 T525 S531 Y532 W533 I538 F563 I571 L597 L602L524-L529 HydrophobicContact CD2-CD1 3.71Å; L524-L529 HydrophobicContact CG-CD1 3.8Å; L524-L529 HydrophobicContact CG-CG 4.4Å; T525-L529 HydrophobicContact CG2-CB 4.15Å; T525-L529 CarbonylContact O-C 3.59Å; T525-L529 PolarHBondContact O-N 3.46Å; L529-S531 PolarHBondContact O-N 2.84Å; L529-Y532 HydrophobicContact CD2-CD2 4.47Å; L529-Y532 PolarHBondContact O-N 3Å; L529-Y532 VanDerWaalsContact O-N 3.1Å; L529-W533 PolarHBondContact O-N 2.91Å; L529-I538 HydrophobicContact CB-CD1 3.9Å; L529-I538 HydrophobicContact CD1-CD1 4.21Å; L529-I538 HydrophobicContact CD2-CD1 4.33Å; L529-I538 HydrophobicContact CG-CD1 4.39Å; L529-F563 HydrophobicContact CD1-CE1 3.86Å; L529-I571 HydrophobicContact CD1-CB 4.25Å; L529-I571 HydrophobicContact CD1-CD1 3.61Å; L529-I571 HydrophobicContact CD1-CG2 4.2Å; L529-I571 HydrophobicContact CD2-CD1 4.31Å; L529-I571 HydrophobicContact CD2-CG2 4.46Å; L529-L597 HydrophobicContact CD2-CD1 3.81Å; L529-L597 HydrophobicContact CG-CD1 4.41Å; L529-L602 HydrophobicContact CD2-CB 4.34Å; L529-L602 HydrophobicContact CD2-CD2 3.55Å
530R96.9Very high96.7Very high137 Ų13738.3 Ų38.352%0.51719%0.185SC..Hα-helixtrans-44-42.3-177.1-179.8-177.1-178.2-151.8-1.6113.9V463 G464 T525 S534V463-R530 HydrophobicContact CG1-CB 4.18Å; V463-R530 HydrophobicContact CG1-CG 4.09Å; V463-R530 WeakPolarHBondContact O-CD 3.28Å; V463-R530 WeakPolarHBondContact O-CG 3.29Å; V463-R530 PolarHBondContact O-NE 2.79Å; V463-R530 VanDerWaalsContact O-NE 3.16Å; G464-R530 VanDerWaalsContact O-CZ 3.23Å; G464-R530 PolarHBondContact O-NE 3.01Å; G464-R530 PolarHBondContact O-NH2 3.41Å; T525-R530 PolarHBondContact O-N 2.63Å; R530-S534 WeakPolarHBondContact O-CB 3.41Å; R530-S534 PolarHBondContact O-N 2.81Å; R530-S534 VanDerWaalsContact O-N 3.14Å; R530-S534 PolarHBondContact O-OG 2.86Å
531S96.6Very high96.6Very high67 Ų6738.1 Ų38.147%0.46918%0.181SC..Hα-helixtrans-65.9-61.7178.6-1510000111.1L529 W533 S534 D535 H628L529-S531 PolarHBondContact O-N 2.84Å; S531-W533 PolarHBondContact O-N 2.84Å; S531-W533 VanDerWaalsContact O-N 3.14Å; S531-S534 PolarHBondContact O-N 3.07Å; S531-D535 PolarHBondContact O-N 3.49Å; S531-H628 PolarHBondContact OG-CE1 2.74Å
532Y97.3Very high96.5Very high16 Ų1638.5 Ų38.56%0.06318%0.183CC..Hα-helixtrans-51.5-36.9177-52.4-101.3000114.1L529 R536 L537 L602 G603 F625 H628L529-Y532 HydrophobicContact CD2-CD2 4.47Å; L529-Y532 PolarHBondContact O-N 3Å; L529-Y532 VanDerWaalsContact O-N 3.1Å; Y532-R536 PolarHBondContact O-N 3.09Å; Y532-L537 HydrophobicContact CD1-CD1 4.41Å; Y532-L537 WeakPolarHBondContact O-CB 3.28Å; Y532-L537 PolarHBondContact O-N 3.41Å; Y532-L602 HydrophobicContact CE1-CB 4.16Å; Y532-G603 PolarHBondContact OH-N 3.32Å; Y532-F625 AromaticContact CD1-CD1 4Å; Y532-F625 HydrophobicContact CD1-CD1 4Å; Y532-F625 AromaticContact CD1-CE1 3.94Å; Y532-F625 HydrophobicContact CD1-CE1 3.94Å; Y532-F625 HydrophobicContact CE1-CD1 4.08Å; Y532-F625 HydrophobicContact CE1-CE1 4.36Å; Y532-H628 HydrophobicContact CD1-CB 4.24Å; Y532-H628 AromaticContact CD1-CG 3.82Å; Y532-H628 AromaticContact CD1-ND1 3.74Å; Y532-H628 AromaticContact CD2-ND1 3.9Å; Y532-H628 HydrophobicContact CE1-CB 3.5Å; Y532-H628 AromaticContact CE1-CG 3.58Å; Y532-H628 AromaticContact CE1-ND1 3.7Å; Y532-H628 AromaticContact CE2-ND1 3.83Å; Y532-H628 AromaticContact CG-ND1 3.86Å; Y532-H628 AromaticContact CZ-CG 3.94Å; Y532-H628 AromaticContact CZ-ND1 3.73Å
533W97.4Very high96.2Very high0 Ų039.7 Ų39.70%019%0.192CC..Hα-helixtrans-69.9-44.9175.8177.4-85.7000112.3F459 R467 L469 H473 T525 L529 S531 D535 R536 I538 F541 F563F459-W533 HydrophobicContact CD1-CZ2 4.45Å; F459-W533 AromaticContact CE1-CD2 3.98Å; F459-W533 HydrophobicContact CE1-CD2 3.98Å; F459-W533 AromaticContact CE1-CE2 3.39Å; F459-W533 HydrophobicContact CE1-CG 4.35Å; F459-W533 HydrophobicContact CE1-CH2 4.36Å; F459-W533 AromaticContact CE1-CZ2 3.61Å; F459-W533 HydrophobicContact CE1-CZ2 3.61Å; F459-W533 AromaticContact CE1-NE1 3.43Å; F459-W533 AromaticContact CZ-CD2 3.86Å; F459-W533 HydrophobicContact CZ-CD2 3.86Å; F459-W533 AromaticContact CZ-CE2 3.64Å; F459-W533 HydrophobicContact CZ-CE3 4.15Å; F459-W533 HydrophobicContact CZ-CG 4.45Å; F459-W533 HydrophobicContact CZ-CH2 4.02Å; F459-W533 AromaticContact CZ-CZ2 3.73Å; F459-W533 HydrophobicContact CZ-CZ2 3.73Å; F459-W533 HydrophobicContact CZ-CZ3 4.23Å; R467-W533 PolarHBondContact O-NE1 2.86Å; L469-W533 HydrophobicContact CD2-CH2 4.12Å; L469-W533 HydrophobicContact CD2-CZ2 4.17Å; H473-W533 AromaticContact CE1-CH2 3.48Å; H473-W533 VanDerWaalsContact CE1-CH2 3.48Å; H473-W533 WeakPolarHBondContact CE1-CH2 3.28Å; H473-W533 AromaticContact ND1-CH2 3.72Å; T525-W533 HydrophobicContact CG2-CB 4.17Å; T525-W533 HydrophobicContact CG2-CG 4.4Å; L529-W533 PolarHBondContact O-N 2.91Å; S531-W533 PolarHBondContact O-N 2.84Å; S531-W533 VanDerWaalsContact O-N 3.14Å; W533-D535 VanDerWaalsContact C-N 3.28Å; W533-D535 PolarHBondContact O-N 2.84Å; W533-R536 WeakPolarHBondContact O-CA 3.47Å; W533-R536 PolarHBondContact O-N 3.29Å; W533-I538 HydrophobicContact CE3-CB 4.14Å; W533-I538 HydrophobicContact CE3-CG2 3.92Å; W533-I538 HydrophobicContact CZ3-CG2 4.17Å; W533-F541 AromaticContact CH2-CD2 3.85Å; W533-F541 HydrophobicContact CH2-CD2 3.85Å; W533-F541 AromaticContact CH2-CE2 3.76Å; W533-F541 HydrophobicContact CH2-CE2 3.76Å; W533-F541 HydrophobicContact CZ3-CD2 4.18Å; W533-F541 HydrophobicContact CZ3-CE2 4.07Å; W533-F563 HydrophobicContact CE3-CZ 4.39Å; W533-F563 HydrophobicContact CZ3-CE2 4.05Å; W533-F563 HydrophobicContact CZ3-CZ 4.37Å
534S95.4Very high95.8Very high34 Ų3442.3 Ų42.324%0.23820%0.2CC..Hα-helixtrans-66.1-33.4-179.7-55.60000111.8T465 R467 R530 S531 R536T465-S534 PolarHBondContact OG1-OG 3.31Å; R467-S534 WeakPolarHBondContact CG-O 3.04Å; R530-S534 WeakPolarHBondContact O-CB 3.41Å; R530-S534 PolarHBondContact O-N 2.81Å; R530-S534 VanDerWaalsContact O-N 3.14Å; R530-S534 PolarHBondContact O-OG 2.86Å; S531-S534 PolarHBondContact O-N 3.07Å; S534-R536 PolarHBondContact O-N 2.81Å
535D95.4Very high95.4Very high75 Ų7549.2 Ų49.240%0.40123%0.233SC..THydrogen-bonded Turntrans-73.6-2172-69.9-5.1000113.8S531 W533 L537 H628S531-D535 PolarHBondContact O-N 3.49Å; W533-D535 VanDerWaalsContact C-N 3.28Å; W533-D535 PolarHBondContact O-N 2.84Å; D535-L537 VanDerWaalsContact C-N 3.31Å; D535-L537 HydrophobicContact CB-CD1 4.1Å; D535-L537 HydrophobicContact CB-CD2 4.45Å; D535-L537 HydrophobicContact CB-CG 3.79Å; D535-L537 PolarHBondContact O-N 3.08Å; D535-H628 IonicContact OD2-CD2 3.69Å; D535-H628 IonicContact OD2-CE1 2.63Å; D535-H628 PolarHBondContact OD2-CE1 2.88Å; D535-H628 VanDerWaalsContact OD2-CE1 3.25Å; D535-H628 IonicContact OD2-NE2 3.46Å; D535-H628 PolarHBondContact OD2-NE2 3.11Å
536R95.8Very high95Very high78 Ų7855.1 Ų55.129%0.29426%0.256SS..THydrogen-bonded Turntrans53.143.8-174.4-62.1-63.4-154.7-165.94.2113G468 Y532 W533 S534G468-R536 PolarHBondContact O-NH1 2.96Å; G468-R536 PolarHBondContact O-NH2 3.46Å; Y532-R536 PolarHBondContact O-N 3.09Å; W533-R536 WeakPolarHBondContact O-CA 3.47Å; W533-R536 PolarHBondContact O-N 3.29Å; S534-R536 PolarHBondContact O-N 2.81Å
537L97.1Very high94.7Very high10 Ų1050.6 Ų50.65%0.05224%0.236CC..  trans-91.3-11.9172.4-53.3-180000113.1Y532 D535 L615 A624 F625Y532-L537 HydrophobicContact CD1-CD1 4.41Å; Y532-L537 WeakPolarHBondContact O-CB 3.28Å; Y532-L537 PolarHBondContact O-N 3.41Å; D535-L537 VanDerWaalsContact C-N 3.31Å; D535-L537 HydrophobicContact CB-CD1 4.1Å; D535-L537 HydrophobicContact CB-CD2 4.45Å; D535-L537 HydrophobicContact CB-CG 3.79Å; D535-L537 PolarHBondContact O-N 3.08Å; L537-L615 HydrophobicContact CB-CD2 4.15Å; L537-L615 HydrophobicContact CD2-CD2 3.91Å; L537-A624 VanDerWaalsContact CD1-O 3.24Å; L537-A624 WeakPolarHBondContact CD1-O 3.21Å; L537-A624 HydrophobicContact CD2-CB 4.19Å; L537-F625 HydrophobicContact CB-CE1 4.1Å; L537-F625 HydrophobicContact CB-CZ 4.21Å; L537-F625 HydrophobicContact CD1-CD1 3.91Å; L537-F625 HydrophobicContact CD1-CE1 3.84Å; L537-F625 HydrophobicContact CD1-CZ 4.45Å
538I97.8Very high94.6Very high8 Ų846.4 Ų46.44%0.04123%0.226CC..  trans-114.4128.1-178.5-64.8171.3000108.8L529 W533 L561 F563 I571L529-I538 HydrophobicContact CB-CD1 3.9Å; L529-I538 HydrophobicContact CD1-CD1 4.21Å; L529-I538 HydrophobicContact CD2-CD1 4.33Å; L529-I538 HydrophobicContact CG-CD1 4.39Å; W533-I538 HydrophobicContact CE3-CB 4.14Å; W533-I538 HydrophobicContact CE3-CG2 3.92Å; W533-I538 HydrophobicContact CZ3-CG2 4.17Å; I538-L561 HydrophobicContact CG1-CB 4.11Å; I538-L561 HydrophobicContact CG1-CD1 3.88Å; I538-F563 HydrophobicContact CG2-CZ 4.25Å; I538-I571 HydrophobicContact CD1-CD1 3.88Å; I538-I571 HydrophobicContact CG1-CD1 4.25Å; I538-I571 HydrophobicContact CG2-CD1 4.33Å
539I96.3Very high94.3Very high37 Ų3747.5 Ų47.519%0.1923%0.234CC..  trans-79-48.8165.5-57177.7000108H473 F541 I542 L560 L561 Y616H473-I539 PolarHBondContact NE2-O 3.21Å; H473-I539 VanDerWaalsContact NE2-O 3.17Å; I539-F541 PolarHBondContact O-N 3.38Å; I539-I542 HydrophobicContact CB-CG2 4.47Å; I539-I542 HydrophobicContact CG2-CB 3.98Å; I539-I542 HydrophobicContact CG2-CD1 4.31Å; I539-I542 HydrophobicContact CG2-CG2 3.93Å; I539-L560 HydrophobicContact CD1-CB 3.95Å; I539-L560 HydrophobicContact CD1-CD1 4.49Å; I539-L560 HydrophobicContact CD1-CD2 4.04Å; I539-L560 HydrophobicContact CD1-CG 4.39Å; I539-L561 PolarHBondContact N-O 3.45Å; I539-L561 VanDerWaalsContact N-O 3.16Å; I539-Y616 HydrophobicContact CD1-CD1 4.1Å
540G96.4Very high94Very high0 Ų049 Ų490%024%0.242CC..BIsolated β-bridgetrans76.7-69.917300000113I542 L561 F563G540-I542 PolarHBondContact O-N 3.25Å; G540-L561 PolarHBondContact N-O 3.14Å; G540-F563 VanDerWaalsContact C-CD2 3.42Å; G540-F563 VanDerWaalsContact CA-CE2 3.48Å; G540-F563 WeakPolarHBondContact O-CD2 3.46Å; G540-F563 PolarHBondContact O-N 3.33Å
541F96.6Very high93.8Very high3 Ų342.5 Ų42.51%0.01322%0.217CC..SBendtrans-93.579.3-170.3-65.6-78.4000111.4F459 L469 H473 F476 L477 W517 F518 V521 W533 I539 F563F459-F541 HydrophobicContact CD2-CE2 4.49Å; F459-F541 HydrophobicContact CD2-CZ 4.35Å; F459-F541 AromaticContact CE2-CE2 3.91Å; F459-F541 HydrophobicContact CE2-CE2 3.91Å; F459-F541 AromaticContact CE2-CZ 3.95Å; F459-F541 HydrophobicContact CE2-CZ 3.95Å; F459-F541 HydrophobicContact CZ-CE2 4.44Å; L469-F541 HydrophobicContact CD2-CD2 3.75Å; L469-F541 HydrophobicContact CD2-CE2 3.37Å; L469-F541 HydrophobicContact CD2-CZ 4.07Å; H473-F541 HydrophobicContact CB-CB 3.6Å; H473-F541 HydrophobicContact CB-CD2 4.1Å; H473-F541 HydrophobicContact CB-CG 4.04Å; H473-F541 AromaticContact CG-CD2 3.92Å; H473-F541 AromaticContact ND1-CD2 3.82Å; F476-F541 VanDerWaalsContact CD1-C 3.45Å; F476-F541 HydrophobicContact CD1-CB 3.68Å; F476-F541 HydrophobicContact CD1-CD1 4.08Å; F476-F541 HydrophobicContact CD1-CG 4.4Å; F476-F541 HydrophobicContact CE1-CB 4.2Å; F476-F541 HydrophobicContact CE1-CD1 4.1Å; F476-F541 HydrophobicContact CG-CB 4.48Å; L477-F541 HydrophobicContact CD1-CD1 4.44Å; L477-F541 HydrophobicContact CD2-CD1 3.76Å; L477-F541 HydrophobicContact CD2-CE1 3.93Å; L477-F541 HydrophobicContact CG-CD1 4.15Å; W517-F541 AromaticContact CH2-CD1 3.9Å; W517-F541 HydrophobicContact CH2-CD1 3.9Å; W517-F541 AromaticContact CH2-CE1 3.79Å; W517-F541 HydrophobicContact CH2-CE1 3.79Å; W517-F541 HydrophobicContact CZ3-CE1 4.42Å; F518-F541 AromaticContact CD2-CE1 3.99Å; F518-F541 HydrophobicContact CD2-CE1 3.99Å; F518-F541 HydrophobicContact CD2-CZ 4.35Å; F518-F541 AromaticContact CE2-CE1 3.77Å; F518-F541 HydrophobicContact CE2-CE1 3.77Å; F518-F541 AromaticContact CE2-CZ 3.8Å; F518-F541 HydrophobicContact CE2-CZ 3.8Å; V521-F541 HydrophobicContact CG1-CE1 4.17Å; V521-F541 HydrophobicContact CG1-CZ 3.77Å; W533-F541 AromaticContact CH2-CD2 3.85Å; W533-F541 HydrophobicContact CH2-CD2 3.85Å; W533-F541 AromaticContact CH2-CE2 3.76Å; W533-F541 HydrophobicContact CH2-CE2 3.76Å; W533-F541 HydrophobicContact CZ3-CD2 4.18Å; W533-F541 HydrophobicContact CZ3-CE2 4.07Å; I539-F541 PolarHBondContact O-N 3.38Å; F541-F563 HydrophobicContact CD1-CD2 4.41Å; F541-F563 HydrophobicContact CD2-CD2 4.3Å; F541-F563 HydrophobicContact CD2-CE2 4.09Å; F541-F563 HydrophobicContact CE1-CD2 4.21Å; F541-F563 HydrophobicContact CE2-CD2 4.11Å; F541-F563 AromaticContact CE2-CE2 3.67Å; F541-F563 HydrophobicContact CE2-CE2 3.67Å; F541-F563 HydrophobicContact CG-CD2 4.45Å; F541-F563 HydrophobicContact CZ-CD2 4.06Å; F541-F563 AromaticContact CZ-CE2 3.9Å; F541-F563 HydrophobicContact CZ-CE2 3.9Å
542I94Very high93.6Very high9 Ų942.1 Ų42.15%0.04621%0.21CC..  trans-150.6137.9-176.9-168.5173.1000113F476 I539 G540 Y546 V547 L550 L560 R562F476-I542 VanDerWaalsContact CE2-C 3.43Å; I539-I542 HydrophobicContact CB-CG2 4.47Å; I539-I542 HydrophobicContact CG2-CB 3.98Å; I539-I542 HydrophobicContact CG2-CD1 4.31Å; I539-I542 HydrophobicContact CG2-CG2 3.93Å; G540-I542 PolarHBondContact O-N 3.25Å; I542-Y546 HydrophobicContact CD1-CD1 3.63Å; I542-Y546 HydrophobicContact CD1-CE1 4.29Å; I542-Y546 HydrophobicContact CD1-CG 4.37Å; I542-Y546 HydrophobicContact CG1-CD1 3.82Å; I542-Y546 HydrophobicContact CG1-CG 4.48Å; I542-V547 HydrophobicContact CB-CG2 4.31Å; I542-V547 HydrophobicContact CD1-CG2 3.84Å; I542-V547 HydrophobicContact CG1-CG2 3.85Å; I542-V547 HydrophobicContact CG2-CG2 3.64Å; I542-L550 HydrophobicContact CD1-CD1 3.52Å; I542-L560 HydrophobicContact CG2-CD1 4.36Å; I542-R562 HydrophobicContact CG2-CB 3.54Å; I542-R562 HydrophobicContact CG2-CG 4.47Å
543S89.8Confident93.2Very high25 Ų2548 Ų4818%0.17524%0.243CC..  trans-76.2148.9-178.175.20000112.6F476 Q545 Y546 V547F476-S543 VanDerWaalsContact CD2-N 3.33Å; S543-Q545 PolarHBondContact O-N 2.73Å; S543-Y546 PolarHBondContact O-N 3.32Å; S543-Y546 VanDerWaalsContact O-N 3.14Å; S543-Y546 PolarHBondContact OG-N 3.14Å; S543-V547 VanDerWaalsContact O-CG2 3.3Å; S543-V547 WeakPolarHBondContact O-CG2 3.22Å; S543-V547 PolarHBondContact O-N 3.05Å
544K89.1Confident93Very high115 Ų11549.5 Ų49.550%0.525%0.249SC..Hα-helixtrans-53.3-36.1175.2-72.8-172.7175.9-172.50113.1T548K544-T548 PolarHBondContact O-N 3.41Å; K544-T548 PolarHBondContact O-OG1 2.96Å; K544-T548 VanDerWaalsContact O-OG1 3.09Å
545Q87.9Confident92.8Very high146 Ų14651.1 Ų51.168%0.68226%0.259SS*.Hα-helixtrans-66.5-48178.4-70.6172-18.700111.5S543 T548 S549S543-Q545 PolarHBondContact O-N 2.73Å; Q545-T548 WeakPolarHBondContact O-CB 3.39Å; Q545-T548 PolarHBondContact O-N 3.27Å; Q545-S549 PolarHBondContact O-N 3.38Å; Q545-S549 VanDerWaalsContact O-N 3.13Å; Q545-S549 PolarHBondContact O-OG 3.23Å
546Y88.9Confident92.7Very high123 Ų12350 Ų5048%0.48225%0.253SS..Hα-helixtrans-69.9-36-178.3-166.9-135.6000112.1I542 S543 T548 S549 L550I542-Y546 HydrophobicContact CD1-CD1 3.63Å; I542-Y546 HydrophobicContact CD1-CE1 4.29Å; I542-Y546 HydrophobicContact CD1-CG 4.37Å; I542-Y546 HydrophobicContact CG1-CD1 3.82Å; I542-Y546 HydrophobicContact CG1-CG 4.48Å; S543-Y546 PolarHBondContact O-N 3.32Å; S543-Y546 VanDerWaalsContact O-N 3.14Å; S543-Y546 PolarHBondContact OG-N 3.14Å; Y546-T548 VanDerWaalsContact C-N 3.3Å; Y546-T548 PolarHBondContact O-N 3.21Å; Y546-S549 WeakPolarHBondContact CA-OG 3.32Å; Y546-S549 WeakPolarHBondContact CD2-OG 3.49Å; Y546-S549 PolarHBondContact O-N 3.03Å; Y546-S549 PolarHBondContact O-OG 3.02Å; Y546-L550 HydrophobicContact CD1-CD1 4.16Å; Y546-L550 HydrophobicContact CE1-CD1 4.1Å; Y546-L550 HydrophobicContact CE2-CG 4.45Å; Y546-L550 VanDerWaalsContact O-CG 3.3Å; Y546-L550 WeakPolarHBondContact O-CG 3.48Å; Y546-L550 PolarHBondContact O-N 3.43Å
547V91.4Very high92.5Very high1 Ų146.3 Ų46.31%0.00624%0.24CC..Hα-helixtrans-54.4-45.4169167.60000111.9I542 S543 L550 L551 L560 A574I542-V547 HydrophobicContact CB-CG2 4.31Å; I542-V547 HydrophobicContact CD1-CG2 3.84Å; I542-V547 HydrophobicContact CG1-CG2 3.85Å; I542-V547 HydrophobicContact CG2-CG2 3.64Å; S543-V547 VanDerWaalsContact O-CG2 3.3Å; S543-V547 WeakPolarHBondContact O-CG2 3.22Å; S543-V547 PolarHBondContact O-N 3.05Å; V547-L550 PolarHBondContact O-N 3.33Å; V547-L551 HydrophobicContact CG1-CD1 3.94Å; V547-L551 PolarHBondContact O-N 3.46Å; V547-L560 HydrophobicContact CG1-CD1 4.26Å; V547-L560 HydrophobicContact CG1-CD2 4.19Å; V547-L560 HydrophobicContact CG1-CG 4.46Å; V547-L560 HydrophobicContact CG2-CD1 3.91Å; V547-L560 HydrophobicContact CG2-CD2 4.26Å; V547-A574 HydrophobicContact CG1-CB 3.59Å
548T91.4Very high92.5Very high52 Ų5245.9 Ų45.932%0.31924%0.238SC..Hα-helixtrans-63.8-46.5177.9-64.70000111.4K544 Q545 Y546 L550 L551 L552 I586K544-T548 PolarHBondContact O-N 3.41Å; K544-T548 PolarHBondContact O-OG1 2.96Å; K544-T548 VanDerWaalsContact O-OG1 3.09Å; Q545-T548 WeakPolarHBondContact O-CB 3.39Å; Q545-T548 PolarHBondContact O-N 3.27Å; Y546-T548 VanDerWaalsContact C-N 3.3Å; Y546-T548 PolarHBondContact O-N 3.21Å; T548-L550 VanDerWaalsContact C-N 3.27Å; T548-L550 PolarHBondContact O-N 3.05Å; T548-L551 PolarHBondContact O-N 3.28Å; T548-L552 HydrophobicContact CG2-CD1 3.6Å; T548-L552 HydrophobicContact CG2-CG 3.93Å; T548-L552 WeakPolarHBondContact O-CB 3.43Å; T548-L552 WeakPolarHBondContact O-CD1 3.27Å; T548-L552 WeakPolarHBondContact O-CG 3.27Å; T548-L552 PolarHBondContact O-N 3.37Å; T548-I586 HydrophobicContact CG2-CG1 4.19Å
549S90.8Very high92.5Very high62 Ų6245.5 Ų45.543%0.43424%0.236SC..Hα-helixtrans-63.3-29.8177.149.40000114.1Q545 Y546Q545-S549 PolarHBondContact O-N 3.38Å; Q545-S549 VanDerWaalsContact O-N 3.13Å; Q545-S549 PolarHBondContact O-OG 3.23Å; Y546-S549 WeakPolarHBondContact CA-OG 3.32Å; Y546-S549 WeakPolarHBondContact CD2-OG 3.49Å; Y546-S549 PolarHBondContact O-N 3.03Å; Y546-S549 PolarHBondContact O-OG 3.02Å
550L91.7Very high92.6Very high31 Ų3143.8 Ų43.816%0.16223%0.227CC..Hα-helixtrans-73.5-47.2175.3-71.9169.9000112.1I542 Y546 V547 T548 Y616I542-L550 HydrophobicContact CD1-CD1 3.52Å; Y546-L550 HydrophobicContact CD1-CD1 4.16Å; Y546-L550 HydrophobicContact CE1-CD1 4.1Å; Y546-L550 HydrophobicContact CE2-CG 4.45Å; Y546-L550 VanDerWaalsContact O-CG 3.3Å; Y546-L550 WeakPolarHBondContact O-CG 3.48Å; Y546-L550 PolarHBondContact O-N 3.43Å; V547-L550 PolarHBondContact O-N 3.33Å; T548-L550 VanDerWaalsContact C-N 3.27Å; T548-L550 PolarHBondContact O-N 3.05Å; L550-Y616 HydrophobicContact CB-CE2 4.48Å
551L93.8Very high92.7Very high0 Ų043.9 Ų43.90%023%0.227CC..Hα-helixtrans-84.8-22.6-170.8-68.2178.9000114.8V547 T548 N553 E554 T558 L560 A574 V576 I586 Y616V547-L551 HydrophobicContact CG1-CD1 3.94Å; V547-L551 PolarHBondContact O-N 3.46Å; T548-L551 PolarHBondContact O-N 3.28Å; L551-N553 PolarHBondContact O-N 2.94Å; L551-E554 PolarHBondContact O-N 2.95Å; L551-T558 HydrophobicContact CD2-CG2 4.01Å; L551-L560 HydrophobicContact CD1-CD2 4.05Å; L551-L560 HydrophobicContact CD1-CG 4.19Å; L551-L560 HydrophobicContact CD2-CD2 4.16Å; L551-L560 HydrophobicContact CG-CD2 4.01Å; L551-A574 HydrophobicContact CD1-CB 4.24Å; L551-V576 HydrophobicContact CB-CB 4.41Å; L551-I586 HydrophobicContact CB-CD1 3.55Å; L551-I586 HydrophobicContact CB-CG1 4.48Å; L551-I586 HydrophobicContact CD1-CG2 4.28Å; L551-Y616 HydrophobicContact CD2-CD2 4.33Å
552L91.6Very high92.7Very high60 Ų6044 Ų4431%0.31423%0.227SC..THydrogen-bonded Turntrans-57.3-33.9-178.4-83.8168.3000113.8T548 R578 P584 I586T548-L552 HydrophobicContact CG2-CD1 3.6Å; T548-L552 HydrophobicContact CG2-CG 3.93Å; T548-L552 WeakPolarHBondContact O-CB 3.43Å; T548-L552 WeakPolarHBondContact O-CD1 3.27Å; T548-L552 WeakPolarHBondContact O-CG 3.27Å; T548-L552 PolarHBondContact O-N 3.37Å; L552-R578 PolarHBondContact O-NH2 3.31Å; L552-P584 HydrophobicContact CD2-CB 4.04Å; L552-P584 HydrophobicContact CD2-CG 3.78Å; L552-I586 HydrophobicContact CD2-CG1 4.45Å; L552-I586 HydrophobicContact CG-CG1 4.45Å
553N88.7Confident92.9Very high140 Ų14043.6 Ų43.675%0.74923%0.226SC*.THydrogen-bonded Turntrans-91.7-8.6-176.8-66.5-33.5000113.7L551L551-N553 PolarHBondContact O-N 2.94Å
554E92.9Very high93.2Very high30 Ų3042.5 Ų42.514%0.1422%0.218CC..SBendtrans-86.2164.2-177.8-73.1-63.416900111.9L551 T558 R578 Y616 K618L551-E554 PolarHBondContact O-N 2.95Å; E554-T558 HydrophobicContact CB-CG2 3.97Å; E554-T558 HydrophobicContact CG-CG2 4.3Å; E554-R578 PolarHBondContact O-NH2 2.73Å; E554-Y616 HydrophobicContact CG-CD2 4.37Å; E554-Y616 HydrophobicContact CG-CE2 4.35Å; E554-K618 WeakPolarHBondContact OE2-CE 3.44Å
555P91.6Very high93.3Very high68 Ų6838 Ų3844%0.44220%0.199SC..PPolyproline II helixtrans-73.2157.7179.629.2-33.7000112T558 V576P555-T558 VanDerWaalsContact O-CB 3.29Å; P555-T558 WeakPolarHBondContact O-CB 3.42Å; P555-T558 PolarHBondContact O-N 2.84Å; P555-T558 VanDerWaalsContact O-N 3.13Å; P555-T558 PolarHBondContact O-OG1 2.82Å; P555-V576 WeakPolarHBondContact O-CG1 3.41Å
556D93.5Very high93.4Very high52 Ų5233.5 Ų33.528%0.27818%0.184SC..THydrogen-bonded Turntrans-50.3135.2178.317776.2000112.8T558 I577 R578 K613D556-T558 VanDerWaalsContact C-N 3.31Å; D556-I577 WeakPolarHBondContact OD1-CA 3.34Å; D556-R578 HydrophobicContact CB-CB 4.31Å; D556-R578 HydrophobicContact CB-CG 4.24Å; D556-R578 PolarHBondContact OD1-N 3.28Å; D556-K613 IonicContact OD2-NZ 2.69Å; D556-K613 PolarHBondContact OD2-NZ 2.9Å
557G92.1Very high93.6Very high1 Ų131 Ų311%0.0118%0.177CC..THydrogen-bonded Turntrans77.58.4-17700000115.2V576 Q611 K613 N614G557-V576 PolarHBondContact N-O 2.78Å; G557-Q611 WeakPolarHBondContact CA-O 3.44Å; G557-K613 PolarHBondContact O-N 2.84Å; G557-N614 PolarHBondContact O-N 3.43Å; G557-N614 VanDerWaalsContact O-N 3.16Å
558T96.9Very high93.8Very high1 Ų135 Ų351%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-74.1134166.7-57.30000110.5L551 E554 P555 D556 H575 V576 N614L551-T558 HydrophobicContact CD2-CG2 4.01Å; E554-T558 HydrophobicContact CB-CG2 3.97Å; E554-T558 HydrophobicContact CG-CG2 4.3Å; P555-T558 VanDerWaalsContact O-CB 3.29Å; P555-T558 WeakPolarHBondContact O-CB 3.42Å; P555-T558 PolarHBondContact O-N 2.84Å; P555-T558 VanDerWaalsContact O-N 3.13Å; P555-T558 PolarHBondContact O-OG1 2.82Å; D556-T558 VanDerWaalsContact C-N 3.31Å; T558-H575 VanDerWaalsContact O-CA 3.32Å; T558-H575 WeakPolarHBondContact O-CA 3.16Å; T558-V576 PolarHBondContact O-N 2.89Å; T558-N614 CarbonylContact C-O 3.59Å; T558-N614 VanDerWaalsContact CA-O 3.28Å; T558-N614 WeakPolarHBondContact CA-O 3.43Å
559F97.8Very high93.9Very high0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-141.1161.3-173.673.9-86.9000113.6L561 I573 A574 H575 I606 L612 N614 L615 Y616 K621 F625F559-L561 HydrophobicContact CD2-CD2 4.41Å; F559-L561 HydrophobicContact CE2-CD2 4.35Å; F559-I573 HydrophobicContact CB-CG2 4.17Å; F559-I573 HydrophobicContact CD2-CG2 3.98Å; F559-I573 HydrophobicContact CG-CG2 4.4Å; F559-A574 CarbonylContact C-O 3.45Å; F559-A574 VanDerWaalsContact CA-O 3.22Å; F559-A574 WeakPolarHBondContact CA-O 3.33Å; F559-A574 WeakPolarHBondContact CB-O 3.46Å; F559-H575 HydrophobicContact CB-CB 3.53Å; F559-I606 HydrophobicContact CE2-CD1 4.42Å; F559-I606 HydrophobicContact CE2-CG2 4.26Å; F559-I606 HydrophobicContact CZ-CG2 3.89Å; F559-L612 HydrophobicContact CB-CD2 3.85Å; F559-L612 HydrophobicContact CD1-CB 3.79Å; F559-L612 HydrophobicContact CD1-CD2 4.06Å; F559-L612 HydrophobicContact CD1-CG 4.33Å; F559-L612 HydrophobicContact CD2-CD1 4.4Å; F559-L612 HydrophobicContact CE1-CB 3.81Å; F559-L612 HydrophobicContact CE2-CD1 4.45Å; F559-L612 HydrophobicContact CG-CB 4.44Å; F559-L612 HydrophobicContact CG-CD1 4.43Å; F559-L612 HydrophobicContact CG-CD2 3.95Å; F559-L612 HydrophobicContact CZ-CB 4.45Å; F559-N614 WeakPolarHBondContact CD1-O 3.36Å; F559-N614 PolarHBondContact N-O 2.9Å; F559-L615 HydrophobicContact CD2-CD1 4.13Å; F559-L615 HydrophobicContact CE1-CB 4.43Å; F559-L615 HydrophobicContact CE2-CD1 3.79Å; F559-L615 HydrophobicContact CZ-CB 4.17Å; F559-L615 HydrophobicContact CZ-CD1 4.28Å; F559-Y616 WeakPolarHBondContact O-CB 3.4Å; F559-Y616 PolarHBondContact O-N 3.38Å; F559-K621 HydrophobicContact CE1-CB 4.34Å; F559-K621 HydrophobicContact CE1-CD 4.36Å; F559-K621 HydrophobicContact CE1-CG 4.21Å; F559-K621 HydrophobicContact CZ-CD 4.48Å; F559-K621 HydrophobicContact CZ-CG 4.17Å; F559-F625 AromaticContact CE2-CE2 3.96Å; F559-F625 HydrophobicContact CE2-CE2 3.96Å; F559-F625 HydrophobicContact CE2-CZ 4.3Å; F559-F625 HydrophobicContact CZ-CD2 4.4Å; F559-F625 AromaticContact CZ-CE2 3.71Å; F559-F625 HydrophobicContact CZ-CE2 3.71Å; F559-F625 HydrophobicContact CZ-CZ 4.48Å
560L97.6Very high94.2Very high1 Ų130 Ų301%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-139.6159.7172.564.683.4000112.2I539 I542 V547 L551 R562 A574I539-L560 HydrophobicContact CD1-CB 3.95Å; I539-L560 HydrophobicContact CD1-CD1 4.49Å; I539-L560 HydrophobicContact CD1-CD2 4.04Å; I539-L560 HydrophobicContact CD1-CG 4.39Å; I542-L560 HydrophobicContact CG2-CD1 4.36Å; V547-L560 HydrophobicContact CG1-CD1 4.26Å; V547-L560 HydrophobicContact CG1-CD2 4.19Å; V547-L560 HydrophobicContact CG1-CG 4.46Å; V547-L560 HydrophobicContact CG2-CD1 3.91Å; V547-L560 HydrophobicContact CG2-CD2 4.26Å; L551-L560 HydrophobicContact CD1-CD2 4.05Å; L551-L560 HydrophobicContact CD1-CG 4.19Å; L551-L560 HydrophobicContact CD2-CD2 4.16Å; L551-L560 HydrophobicContact CG-CD2 4.01Å; L560-R562 HydrophobicContact CD1-CB 4.09Å; L560-R562 HydrophobicContact CD1-CG 4.33Å; L560-A574 HydrophobicContact CD1-CB 4.31Å; L560-A574 PolarHBondContact N-O 3.31Å; L560-A574 PolarHBondContact O-N 2.89Å; L560-A574 VanDerWaalsContact O-N 3.1Å
561L98.2Very high94.5Very high1 Ų128.6 Ų28.61%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-108.1123.7179.9-56.8-178.7000110.5I538 I539 G540 F559 I571 I573 L602 I606 L615 F625I538-L561 HydrophobicContact CG1-CB 4.11Å; I538-L561 HydrophobicContact CG1-CD1 3.88Å; I539-L561 PolarHBondContact N-O 3.45Å; I539-L561 VanDerWaalsContact N-O 3.16Å; G540-L561 PolarHBondContact N-O 3.14Å; F559-L561 HydrophobicContact CD2-CD2 4.41Å; F559-L561 HydrophobicContact CE2-CD2 4.35Å; L561-I571 HydrophobicContact CB-CD1 4.37Å; L561-I573 HydrophobicContact CD2-CB 4.48Å; L561-I573 HydrophobicContact CD2-CD1 4.46Å; L561-I573 HydrophobicContact CD2-CG1 3.77Å; L561-L602 HydrophobicContact CD1-CD2 4.07Å; L561-I606 HydrophobicContact CD1-CD1 3.95Å; L561-I606 HydrophobicContact CD2-CD1 3.89Å; L561-L615 HydrophobicContact CG-CD1 4.48Å; L561-F625 HydrophobicContact CD1-CE1 3.88Å; L561-F625 HydrophobicContact CD1-CZ 3.7Å
562R97.5Very high94.7Very high5 Ų528.8 Ų28.82%0.01916%0.159CC..EExtended strand (participates in β ladder)trans-138.8152.8-178.771.1-172.9-166.476.411.6112.1I542 L560 D565 I571 T572 N588I542-R562 HydrophobicContact CG2-CB 3.54Å; I542-R562 HydrophobicContact CG2-CG 4.47Å; L560-R562 HydrophobicContact CD1-CB 4.09Å; L560-R562 HydrophobicContact CD1-CG 4.33Å; R562-D565 IonicContact NH1-OD2 3.17Å; R562-D565 PolarHBondContact NH1-OD2 2.9Å; R562-I571 WeakPolarHBondContact O-CG1 3.39Å; R562-T572 HydrophobicContact CG-CG2 3.75Å; R562-T572 PolarHBondContact N-O 3.41Å; R562-T572 VanDerWaalsContact N-O 3.11Å; R562-T572 WeakPolarHBondContact O-CG2 3.24Å; R562-T572 PolarHBondContact O-N 3.32Å; R562-N588 PolarHBondContact NE-OD1 2.87Å; R562-N588 PolarHBondContact NH2-OD1 2.73Å
563F98Very high95Very high2 Ų225.9 Ų25.91%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-72152.7174.8-61.3-58.2000111.1V521 L524 T525 L529 W533 I538 G540 F541 I571V521-F563 HydrophobicContact CG1-CD1 3.89Å; V521-F563 HydrophobicContact CG1-CD2 3.47Å; V521-F563 VanDerWaalsContact CG1-CD2 3.47Å; V521-F563 HydrophobicContact CG1-CE1 3.87Å; V521-F563 HydrophobicContact CG1-CE2 3.45Å; V521-F563 VanDerWaalsContact CG1-CE2 3.45Å; V521-F563 HydrophobicContact CG1-CG 3.71Å; V521-F563 HydrophobicContact CG1-CZ 3.67Å; V521-F563 HydrophobicContact CG2-CB 3.98Å; V521-F563 HydrophobicContact CG2-CD1 4.28Å; V521-F563 HydrophobicContact CG2-CD2 4.38Å; V521-F563 HydrophobicContact CG2-CG 3.96Å; L524-F563 HydrophobicContact CD2-CD1 4.33Å; L524-F563 HydrophobicContact CD2-CE1 4.36Å; T525-F563 WeakPolarHBondContact OG1-CZ 3.46Å; L529-F563 HydrophobicContact CD1-CE1 3.86Å; W533-F563 HydrophobicContact CE3-CZ 4.39Å; W533-F563 HydrophobicContact CZ3-CE2 4.05Å; W533-F563 HydrophobicContact CZ3-CZ 4.37Å; I538-F563 HydrophobicContact CG2-CZ 4.25Å; G540-F563 VanDerWaalsContact C-CD2 3.42Å; G540-F563 VanDerWaalsContact CA-CE2 3.48Å; G540-F563 WeakPolarHBondContact O-CD2 3.46Å; G540-F563 PolarHBondContact O-N 3.33Å; F541-F563 HydrophobicContact CD1-CD2 4.41Å; F541-F563 HydrophobicContact CD2-CD2 4.3Å; F541-F563 HydrophobicContact CD2-CE2 4.09Å; F541-F563 HydrophobicContact CE1-CD2 4.21Å; F541-F563 HydrophobicContact CE2-CD2 4.11Å; F541-F563 AromaticContact CE2-CE2 3.67Å; F541-F563 HydrophobicContact CE2-CE2 3.67Å; F541-F563 HydrophobicContact CG-CD2 4.45Å; F541-F563 HydrophobicContact CZ-CD2 4.06Å; F541-F563 AromaticContact CZ-CE2 3.9Å; F541-F563 HydrophobicContact CZ-CE2 3.9Å; F563-I571 HydrophobicContact CD1-CB 4.37Å; F563-I571 HydrophobicContact CD1-CG1 4.49Å; F563-I571 HydrophobicContact CE1-CD1 4.27Å
564S95.6Very high95.4Very high2 Ų219.2 Ų19.21%0.01411%0.109CC..  trans-71.2134.9177.3-172.90000110.6W517 S566 E567 G570 P591W517-S564 PolarHBondContact NE1-O 3Å; S564-S566 PolarHBondContact OG-N 3.25Å; S564-S566 PolarHBondContact OG-OG 3.38Å; S564-E567 PolarHBondContact OG-N 3.47Å; S564-G570 PolarHBondContact N-O 3.33Å; S564-P591 WeakPolarHBondContact OG-CG 3.08Å
565D91.6Very high95.5Very high19 Ų1917.9 Ų17.910%0.10210%0.102CC..SBendtrans-79.3-22.4170-65-74.3000112.5F476 K480 R510 R562F476-D565 WeakPolarHBondContact CZ-OD1 3.45Å; K480-D565 IonicContact NZ-OD1 3.39Å; K480-D565 PolarHBondContact NZ-OD1 3.17Å; R510-D565 PolarHBondContact NE-O 3.45Å; R510-D565 PolarHBondContact NH2-O 2.94Å; R562-D565 IonicContact NH1-OD2 3.17Å; R562-D565 PolarHBondContact NH1-OD2 2.9Å
566S90Very high95.7Very high52 Ų5214.6 Ų14.636%0.3648%0.081SC..SBendtrans-104.7-19.3-169.344.30000114.2F512 S564F512-S566 WeakPolarHBondContact CE1-O 3.34Å; S564-S566 PolarHBondContact OG-N 3.25Å; S564-S566 PolarHBondContact OG-OG 3.38Å
567E93.2Very high95.6Very high71 Ų7113.5 Ų13.533%0.3328%0.075SC..SBendtrans-126.7131.9-174.9-71.3153.7-120.100110.4S564 G569 P591S564-E567 PolarHBondContact OG-N 3.47Å; E567-G569 PolarHBondContact O-N 3.04Å; E567-P591 WeakPolarHBondContact OE1-CD 3.46Å; E567-P591 VanDerWaalsContact OE1-CG 3.32Å; E567-P591 WeakPolarHBondContact OE1-CG 3.4Å; E567-P591 WeakPolarHBondContact OE2-CB 3.48Å
568I94.6Very high95.3Very high85 Ų8517.6 Ų17.644%0.4369%0.09SC..THydrogen-bonded Turntrans-67121.1174.6-59.2179.1000108.3F512 Q516F512-I568 HydrophobicContact CB-CD1 3.83Å; F512-I568 HydrophobicContact CB-CG1 4.4Å; F512-I568 HydrophobicContact CD1-CD1 3.75Å; F512-I568 HydrophobicContact CD1-CG1 3.61Å; F512-I568 HydrophobicContact CD2-CG1 4.39Å; F512-I568 HydrophobicContact CE1-CD1 4.46Å; F512-I568 HydrophobicContact CE1-CG1 3.83Å; F512-I568 HydrophobicContact CG-CD1 3.87Å; F512-I568 HydrophobicContact CG-CG1 3.9Å; F512-I568 HydrophobicContact CZ-CG1 4.3Å; Q516-I568 WeakPolarHBondContact O-CG2 3.42Å
569G94.4Very high94.4Very high8 Ų819.1 Ų19.18%0.08211%0.106CC..THydrogen-bonded Turntrans66.237.3177.100000114.8G520 L524 E567G520-G569 WeakPolarHBondContact O-CA 3.45Å; L524-G569 WeakPolarHBondContact CD1-O 3.47Å; L524-G569 WeakPolarHBondContact CD2-O 3.5Å; E567-G569 PolarHBondContact O-N 3.04Å
570G96.8Very high93.4Very high1 Ų129.4 Ų29.41%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-108.1148168.100000113.5S564 F592S564-G570 PolarHBondContact N-O 3.33Å; G570-F592 WeakPolarHBondContact CA-O 3.48Å
571I98.1Very high92.5Very high1 Ų135.3 Ų35.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-121.8135.2170.3-174162.5000110.8L524 L529 I538 L561 R562 F563 P591 F592 L597 L602L524-I571 HydrophobicContact CD2-CB 3.93Å; L524-I571 HydrophobicContact CD2-CG2 4.1Å; L529-I571 HydrophobicContact CD1-CB 4.25Å; L529-I571 HydrophobicContact CD1-CD1 3.61Å; L529-I571 HydrophobicContact CD1-CG2 4.2Å; L529-I571 HydrophobicContact CD2-CD1 4.31Å; L529-I571 HydrophobicContact CD2-CG2 4.46Å; I538-I571 HydrophobicContact CD1-CD1 3.88Å; I538-I571 HydrophobicContact CG1-CD1 4.25Å; I538-I571 HydrophobicContact CG2-CD1 4.33Å; L561-I571 HydrophobicContact CB-CD1 4.37Å; R562-I571 WeakPolarHBondContact O-CG1 3.39Å; F563-I571 HydrophobicContact CD1-CB 4.37Å; F563-I571 HydrophobicContact CD1-CG1 4.49Å; F563-I571 HydrophobicContact CE1-CD1 4.27Å; I571-P591 CarbonylContact O-C 3.58Å; I571-P591 WeakPolarHBondContact O-CA 3.46Å; I571-F592 HydrophobicContact CG2-CB 4.35Å; I571-F592 PolarHBondContact N-O 3.28Å; I571-F592 PolarHBondContact O-N 3Å; I571-L597 HydrophobicContact CG2-CD1 4.03Å; I571-L602 HydrophobicContact CD1-CD2 3.97Å; I571-L602 HydrophobicContact CG2-CD2 4.46Å
572T97.7Very high91.5Very high4 Ų437 Ų373%0.02520%0.204CC..EExtended strand (participates in β ladder)trans-125.3148.4-174.6168.30000111.3R562 I589 P591R562-T572 HydrophobicContact CG-CG2 3.75Å; R562-T572 PolarHBondContact N-O 3.41Å; R562-T572 VanDerWaalsContact N-O 3.11Å; R562-T572 WeakPolarHBondContact O-CG2 3.24Å; R562-T572 PolarHBondContact O-N 3.32Å; T572-I589 WeakPolarHBondContact CB-O 3.42Å; T572-I589 PolarHBondContact OG1-O 2.85Å; T572-P591 HydrophobicContact CG2-CG 4.48Å
573I97.7Very high90.9Very high0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-97124.2174.2-52.5-179.9000107.6F559 L561 N588 I589 F592 I606 L609 L612F559-I573 HydrophobicContact CB-CG2 4.17Å; F559-I573 HydrophobicContact CD2-CG2 3.98Å; F559-I573 HydrophobicContact CG-CG2 4.4Å; L561-I573 HydrophobicContact CD2-CB 4.48Å; L561-I573 HydrophobicContact CD2-CD1 4.46Å; L561-I573 HydrophobicContact CD2-CG1 3.77Å; I573-N588 WeakPolarHBondContact O-CA 3Å; I573-I589 HydrophobicContact CB-CB 4.37Å; I573-I589 HydrophobicContact CB-CD1 4.21Å; I573-I589 HydrophobicContact CB-CG1 4.4Å; I573-I589 HydrophobicContact CD1-CD1 4.44Å; I573-I589 PolarHBondContact O-N 3.39Å; I573-F592 HydrophobicContact CD1-CE2 3.99Å; I573-F592 HydrophobicContact CG1-CE2 4.13Å; I573-I606 HydrophobicContact CD1-CG1 3.86Å; I573-L609 HydrophobicContact CD1-CD1 4.22Å; I573-L612 HydrophobicContact CD1-CD1 3.97Å; I573-L612 HydrophobicContact CG2-CD1 4.08Å; I573-L612 HydrophobicContact CG2-CD2 4.14Å
574A97Very high90.5Very high0 Ų041.5 Ų41.50%024%0.235CC..EExtended strand (participates in β ladder)trans-108.5132.6167.200000109.1V547 L551 F559 L560 E587V547-A574 HydrophobicContact CG1-CB 3.59Å; L551-A574 HydrophobicContact CD1-CB 4.24Å; F559-A574 CarbonylContact C-O 3.45Å; F559-A574 VanDerWaalsContact CA-O 3.22Å; F559-A574 WeakPolarHBondContact CA-O 3.33Å; F559-A574 WeakPolarHBondContact CB-O 3.46Å; L560-A574 HydrophobicContact CD1-CB 4.31Å; L560-A574 PolarHBondContact N-O 3.31Å; L560-A574 PolarHBondContact O-N 2.89Å; L560-A574 VanDerWaalsContact O-N 3.1Å; A574-E587 WeakPolarHBondContact CA-O 3.39Å
575H95.8Very high90.3Very high1 Ų146.4 Ų46.41%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-143152.9-179.668.699.5000112.7T558 F559 I586 E587 L612T558-H575 VanDerWaalsContact O-CA 3.32Å; T558-H575 WeakPolarHBondContact O-CA 3.16Å; F559-H575 HydrophobicContact CB-CB 3.53Å; H575-I586 WeakPolarHBondContact O-CA 3.26Å; H575-E587 PolarHBondContact N-O 2.69Å; H575-E587 PolarHBondContact O-N 2.95Å; H575-L612 HydrophobicContact CB-CD2 3.83Å
576V95.1Very high90.4Very high0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-87.8132.7170.660.20000110.4L551 P555 G557 T558 P584 Q585 I586L551-V576 HydrophobicContact CB-CB 4.41Å; P555-V576 WeakPolarHBondContact O-CG1 3.41Å; G557-V576 PolarHBondContact N-O 2.78Å; T558-V576 PolarHBondContact O-N 2.89Å; V576-P584 HydrophobicContact CG2-CB 3.92Å; V576-Q585 WeakPolarHBondContact CA-O 3.34Å; V576-I586 HydrophobicContact CB-CD1 3.63Å; V576-I586 HydrophobicContact CG2-CD1 3.88Å
577I90.9Very high90.5Very high29 Ų2947.2 Ų47.215%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-111.4142.6162.9-53.7-179.4000107D556 Q585 E587D556-I577 WeakPolarHBondContact OD1-CA 3.34Å; I577-Q585 PolarHBondContact N-O 2.77Å; I577-Q585 PolarHBondContact O-N 3.01Å; I577-E587 HydrophobicContact CD1-CB 4.49Å; I577-E587 VanDerWaalsContact CD1-CD 3.46Å; I577-E587 HydrophobicContact CD1-CG 3.91Å; I577-E587 VanDerWaalsContact CD1-OE2 3.29Å; I577-E587 WeakPolarHBondContact CD1-OE2 3.45Å
578R86Confident90.6Very high87 Ų8746.8 Ų46.833%0.32826%0.256SS..EExtended strand (participates in β ladder)trans-102.9130.6166-67.8-175.9-180-86-7.7111.5L552 E554 D556 G582 S583L552-R578 PolarHBondContact O-NH2 3.31Å; E554-R578 PolarHBondContact O-NH2 2.73Å; D556-R578 HydrophobicContact CB-CB 4.31Å; D556-R578 HydrophobicContact CB-CG 4.24Å; D556-R578 PolarHBondContact OD1-N 3.28Å; R578-G582 PolarHBondContact NH1-O 2.93Å; R578-S583 VanDerWaalsContact CA-O 3.32Å; R578-S583 WeakPolarHBondContact CA-O 3.37Å
579G78.4Confident90.6Very high33 Ų3343.9 Ų43.934%0.3424%0.241SC..  trans-67.1171.9174.700000112.7D581 G582 S583G579-D581 WeakPolarHBondContact CA-OD1 3.33Å; G579-D581 PolarHBondContact O-N 3.1Å; G579-G582 WeakPolarHBondContact O-CA 3.31Å; G579-G582 PolarHBondContact O-N 3.23Å; G579-S583 PolarHBondContact N-O 2.58Å
580Q76.4Confident90.6Very high216 Ų21650.9 Ų50.9100%1.00927%0.271SS*.THydrogen-bonded Turntrans-64.4-20.3173.7-66.5-178.3-2.900112.6G582Q580-G582 VanDerWaalsContact C-N 3.32Å
581D79.9Confident90.6Very high124 Ų12451.7 Ų51.766%0.66328%0.276SS*.THydrogen-bonded Turntrans-83.6-1.8170.965.2-16.1000113.6G579 S583G579-D581 WeakPolarHBondContact CA-OD1 3.33Å; G579-D581 PolarHBondContact O-N 3.1Å; D581-S583 VanDerWaalsContact C-N 3.28Å; D581-S583 PolarHBondContact O-N 2.93Å; D581-S583 WeakPolarHBondContact OD1-CB 3.39Å; D581-S583 PolarHBondContact OD1-N 3.29Å; D581-S583 PolarHBondContact OD1-OG 2.89Å; D581-S583 VanDerWaalsContact OD2-CB 3.3Å; D581-S583 WeakPolarHBondContact OD2-CB 3.42Å; D581-S583 PolarHBondContact OD2-OG 2.71Å
582G76.7Confident90.6Very high38 Ų3852.2 Ų52.239%0.39228%0.279SS..  trans79.9-1.2-175.400000115.2R578 G579 Q580R578-G582 PolarHBondContact NH1-O 2.93Å; G579-G582 WeakPolarHBondContact O-CA 3.31Å; G579-G582 PolarHBondContact O-N 3.23Å; Q580-G582 VanDerWaalsContact C-N 3.32Å
583S85.8Confident90.6Very high53 Ų5353.9 Ų53.937%0.37129%0.29SS..  trans-66.5131.9-177.267.10000111.4R578 G579 D581R578-S583 VanDerWaalsContact CA-O 3.32Å; R578-S583 WeakPolarHBondContact CA-O 3.37Å; G579-S583 PolarHBondContact N-O 2.58Å; D581-S583 VanDerWaalsContact C-N 3.28Å; D581-S583 PolarHBondContact O-N 2.93Å; D581-S583 WeakPolarHBondContact OD1-CB 3.39Å; D581-S583 PolarHBondContact OD1-N 3.29Å; D581-S583 PolarHBondContact OD1-OG 2.89Å; D581-S583 VanDerWaalsContact OD2-CB 3.3Å; D581-S583 WeakPolarHBondContact OD2-CB 3.42Å; D581-S583 PolarHBondContact OD2-OG 2.71Å
584P89.3Confident90.5Very high48 Ų4854.9 Ų54.931%0.31230%0.299SS..EExtended strand (participates in β ladder)trans-83.9118178.230.7-31.2000111.4L552 V576L552-P584 HydrophobicContact CD2-CB 4.04Å; L552-P584 HydrophobicContact CD2-CG 3.78Å; V576-P584 HydrophobicContact CG2-CB 3.92Å
585Q91Very high90.4Very high105 Ų10562.3 Ų62.349%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-109.5134.3172.5-171.8-179.611.400109.8V576 I577V576-Q585 WeakPolarHBondContact CA-O 3.34Å; I577-Q585 PolarHBondContact N-O 2.77Å; I577-Q585 PolarHBondContact O-N 3.01Å
586I93.3Very high90.3Very high32 Ų3264.7 Ų64.716%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-98.4108.9176.4-51.5-52.3000109.8T548 L551 L552 H575 V576T548-I586 HydrophobicContact CG2-CG1 4.19Å; L551-I586 HydrophobicContact CB-CD1 3.55Å; L551-I586 HydrophobicContact CB-CG1 4.48Å; L551-I586 HydrophobicContact CD1-CG2 4.28Å; L552-I586 HydrophobicContact CD2-CG1 4.45Å; L552-I586 HydrophobicContact CG-CG1 4.45Å; H575-I586 WeakPolarHBondContact O-CA 3.26Å; V576-I586 HydrophobicContact CB-CD1 3.63Å; V576-I586 HydrophobicContact CG2-CD1 3.88Å
587E92.9Very high90.3Very high55 Ų5565.4 Ų65.426%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-90.7149.2172.3-66.9-161.1161.600111.1A574 H575 I577 R652A574-E587 WeakPolarHBondContact CA-O 3.39Å; H575-E587 PolarHBondContact N-O 2.69Å; H575-E587 PolarHBondContact O-N 2.95Å; I577-E587 HydrophobicContact CD1-CB 4.49Å; I577-E587 VanDerWaalsContact CD1-CD 3.46Å; I577-E587 HydrophobicContact CD1-CG 3.91Å; I577-E587 VanDerWaalsContact CD1-OE2 3.29Å; I577-E587 WeakPolarHBondContact CD1-OE2 3.45Å; E587-R652 IonicContact OE1-CZ 2.66Å; E587-R652 IonicContact OE1-NE 2.74Å; E587-R652 IonicContact OE1-NH2 2.94Å; E587-R652 PolarHBondContact OE1-NH2 2.74Å
588N94.3Very high90.5Very high63 Ų6368.3 Ų68.334%0.33737%0.371SS..EExtended strand (participates in β ladder)trans-127.3112.4177.3-79.4-118.1000107.7R562 I573R562-N588 PolarHBondContact NE-OD1 2.87Å; R562-N588 PolarHBondContact NH2-OD1 2.73Å; I573-N588 WeakPolarHBondContact O-CA 3Å
589I95Very high90.9Very high24 Ų2469.3 Ų69.312%0.12338%0.382CS..PPolyproline II helixtrans-70.4144178-56.6-175.8000109T572 I573 F592 L609T572-I589 WeakPolarHBondContact CB-O 3.42Å; T572-I589 PolarHBondContact OG1-O 2.85Å; I573-I589 HydrophobicContact CB-CB 4.37Å; I573-I589 HydrophobicContact CB-CD1 4.21Å; I573-I589 HydrophobicContact CB-CG1 4.4Å; I573-I589 HydrophobicContact CD1-CD1 4.44Å; I573-I589 PolarHBondContact O-N 3.39Å; I589-F592 HydrophobicContact CG2-CE1 4.4Å; I589-F592 HydrophobicContact CG2-CZ 3.87Å; I589-L609 HydrophobicContact CD1-CD1 3.43Å; I589-L609 VanDerWaalsContact CD1-CD1 3.43Å
590Q95.3Very high91.6Very high154 Ų15469.8 Ų69.872%0.7237%0.373SS*.PPolyproline II helixtrans-49.6136.8176.7-176.4176-700110.6
591P97.1Very high92.5Very high18 Ų1860.2 Ų60.212%0.11733%0.33CS..PPolyproline II helixtrans-63.2144.4-177.3-20.132.8000112.7S564 E567 I571 T572S564-P591 WeakPolarHBondContact OG-CG 3.08Å; E567-P591 WeakPolarHBondContact OE1-CD 3.46Å; E567-P591 VanDerWaalsContact OE1-CG 3.32Å; E567-P591 WeakPolarHBondContact OE1-CG 3.4Å; E567-P591 WeakPolarHBondContact OE2-CB 3.48Å; I571-P591 CarbonylContact O-C 3.58Å; I571-P591 WeakPolarHBondContact O-CA 3.46Å; T572-P591 HydrophobicContact CG2-CG 4.48Å
592F97.5Very high93.4Very high13 Ų1354.5 Ų54.56%0.05730%0.299CS..EExtended strand (participates in β ladder)trans-93.7122172.8-51.1-55.1000109.4G570 I571 I573 I589 D596 L597 L602 M648G570-F592 WeakPolarHBondContact CA-O 3.48Å; I571-F592 HydrophobicContact CG2-CB 4.35Å; I571-F592 PolarHBondContact N-O 3.28Å; I571-F592 PolarHBondContact O-N 3Å; I573-F592 HydrophobicContact CD1-CE2 3.99Å; I573-F592 HydrophobicContact CG1-CE2 4.13Å; I589-F592 HydrophobicContact CG2-CE1 4.4Å; I589-F592 HydrophobicContact CG2-CZ 3.87Å; F592-D596 HydrophobicContact CB-CB 4.07Å; F592-D596 HydrophobicContact CD1-CB 4.43Å; F592-L597 HydrophobicContact CB-CD2 3.79Å; F592-L597 HydrophobicContact CB-CG 4.1Å; F592-L597 HydrophobicContact CG-CD2 4.37Å; F592-L602 HydrophobicContact CD2-CD1 4.06Å; F592-L602 HydrophobicContact CE2-CD1 4.34Å; F592-M648 HydrophobicContact CE1-CE 4.36Å; F592-M648 HydrophobicContact CE1-SD 3.59Å; F592-M648 VanDerWaalsContact CE1-SD 3.59Å; F592-M648 HydrophobicContact CZ-CE 3.7Å; F592-M648 HydrophobicContact CZ-SD 3.56Å; F592-M648 VanDerWaalsContact CZ-SD 3.56Å
593S97.1Very high94.3Very high38 Ų3852.7 Ų52.727%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-80.3172.8171.375.50000111.4K595 D596 L597S593-K595 PolarHBondContact O-N 3.4Å; S593-K595 VanDerWaalsContact O-N 3.14Å; S593-K595 WeakPolarHBondContact OG-CB 3.48Å; S593-K595 PolarHBondContact OG-N 2.86Å; S593-K595 VanDerWaalsContact OG-N 3.17Å; S593-D596 VanDerWaalsContact CB-OD2 3.29Å; S593-D596 WeakPolarHBondContact CB-OD2 3.2Å; S593-D596 PolarHBondContact N-OD2 3.36Å; S593-D596 PolarHBondContact O-N 3.11Å; S593-D596 PolarHBondContact OG-N 3.05Å; S593-D596 PolarHBondContact OG-OD2 3.21Å; S593-L597 WeakPolarHBondContact O-CG 3.38Å; S593-L597 PolarHBondContact O-N 3.49Å
594A95Very high94.7Very high22 Ų2250.4 Ų50.418%0.18227%0.265CS..Hα-helixtrans-57.9-24.2170.900000113.6L524 S598L524-A594 HydrophobicContact CD1-CB 4.02Å; A594-S598 PolarHBondContact O-N 2.53Å; A594-S598 PolarHBondContact O-OG 3.24Å
595K94.8Very high95Very high155 Ų15549.5 Ų49.567%0.67426%0.255SS*.Hα-helixtrans-74-37.1174.1-174.3-176.2177.2-174.60111.8S593 S598 I599S593-K595 PolarHBondContact O-N 3.4Å; S593-K595 VanDerWaalsContact O-N 3.14Å; S593-K595 WeakPolarHBondContact OG-CB 3.48Å; S593-K595 PolarHBondContact OG-N 2.86Å; S593-K595 VanDerWaalsContact OG-N 3.17Å; K595-S598 PolarHBondContact O-OG 2.95Å; K595-I599 WeakPolarHBondContact O-CD1 3.04Å; K595-I599 WeakPolarHBondContact O-CG1 2.89Å; K595-I599 PolarHBondContact O-N 2.75Å
596D94.9Very high95.3Very high52 Ų5244.5 Ų44.528%0.27823%0.232SC..Hα-helixtrans-73.3-37.8178.9-55.3-65.9000111.1F592 S593 S598 I599 R600 R605F592-D596 HydrophobicContact CB-CB 4.07Å; F592-D596 HydrophobicContact CD1-CB 4.43Å; S593-D596 VanDerWaalsContact CB-OD2 3.29Å; S593-D596 WeakPolarHBondContact CB-OD2 3.2Å; S593-D596 PolarHBondContact N-OD2 3.36Å; S593-D596 PolarHBondContact O-N 3.11Å; S593-D596 PolarHBondContact OG-N 3.05Å; S593-D596 PolarHBondContact OG-OD2 3.21Å; D596-S598 VanDerWaalsContact C-N 3.35Å; D596-I599 PolarHBondContact O-N 2.99Å; D596-R600 PolarHBondContact O-N 2.79Å; D596-R600 VanDerWaalsContact O-N 3.15Å; D596-R605 PolarHBondContact O-NE 2.92Å; D596-R605 PolarHBondContact O-NH2 2.8Å
597L95.4Very high95.4Very high14 Ų1446.8 Ų46.87%0.07324%0.238CC..Hα-helixtrans-73.2-23.1177.8-62.5-174.8000113.7L524 C528 L529 I571 F592 S593 R600 L602L524-L597 HydrophobicContact CD1-CD1 3.95Å; C528-L597 HydrophobicContact CB-CB 4.17Å; C528-L597 HydrophobicContact CB-CD1 3.66Å; L529-L597 HydrophobicContact CD2-CD1 3.81Å; L529-L597 HydrophobicContact CG-CD1 4.41Å; I571-L597 HydrophobicContact CG2-CD1 4.03Å; F592-L597 HydrophobicContact CB-CD2 3.79Å; F592-L597 HydrophobicContact CB-CG 4.1Å; F592-L597 HydrophobicContact CG-CD2 4.37Å; S593-L597 WeakPolarHBondContact O-CG 3.38Å; S593-L597 PolarHBondContact O-N 3.49Å; L597-R600 WeakPolarHBondContact CA-O 3.5Å; L597-R600 CarbonylContact O-C 3.57Å; L597-L602 HydrophobicContact CD2-CB 3.92Å; L597-L602 HydrophobicContact CD2-CD1 4.39Å
598S94.3Very high95.5Very high91 Ų9145.5 Ų45.564%0.63623%0.233SC*.Hα-helixtrans-77.7-31.2172.268.80000112.7A594 K595 D596A594-S598 PolarHBondContact O-N 2.53Å; A594-S598 PolarHBondContact O-OG 3.24Å; K595-S598 PolarHBondContact O-OG 2.95Å; D596-S598 VanDerWaalsContact C-N 3.35Å
599I94.2Very high95.5Very high108 Ų10842.5 Ų42.555%0.55422%0.217SC*.Hα-helixtrans-67.3-48.6172-65.5163.8000111K595 D596K595-I599 WeakPolarHBondContact O-CD1 3.04Å; K595-I599 WeakPolarHBondContact O-CG1 2.89Å; K595-I599 PolarHBondContact O-N 2.75Å; D596-I599 PolarHBondContact O-N 2.99Å
600R94.2Very high95.3Very high42 Ų4245 Ų4516%0.15824%0.241CC..SBendtrans-150.1130.7177.7-171.6170.4-179.176.6-2.2109.7D596 L597 D604 R605 D608 I646D596-R600 PolarHBondContact O-N 2.79Å; D596-R600 VanDerWaalsContact O-N 3.15Å; L597-R600 WeakPolarHBondContact CA-O 3.5Å; L597-R600 CarbonylContact O-C 3.57Å; R600-D604 HydrophobicContact CG-CB 3.77Å; R600-R605 HydrophobicContact CB-CG 4.3Å; R600-R605 HydrophobicContact CG-CG 4.09Å; R600-R605 PolarHBondContact O-NE 2.78Å; R600-D608 IonicContact CZ-OD1 3.53Å; R600-D608 IonicContact CZ-OD2 3.3Å; R600-D608 VanDerWaalsContact CZ-OD2 3.3Å; R600-D608 IonicContact NE-OD1 3.59Å; R600-D608 IonicContact NE-OD2 2.7Å; R600-D608 PolarHBondContact NE-OD2 2.99Å; R600-D608 VanDerWaalsContact NH2-CG 3.31Å; R600-D608 IonicContact NH2-OD1 2.74Å; R600-D608 PolarHBondContact NH2-OD1 2.89Å; R600-D608 IonicContact NH2-OD2 3.13Å; R600-D608 PolarHBondContact NH2-OD2 2.83Å; R600-D608 VanDerWaalsContact NH2-OD2 3.13Å; R600-I646 WeakPolarHBondContact CD-O 3.24Å; R600-I646 PolarHBondContact NE-O 2.86Å; R600-I646 PolarHBondContact NH1-O 3.15Å
601S95.7Very high95.1Very high16 Ų1639.3 Ų39.311%0.11221%0.214CC..  trans-68.4162.1-169.882.60000112.6G603 D604 R605S601-G603 VanDerWaalsContact C-N 3.34Å; S601-G603 PolarHBondContact O-N 2.71Å; S601-D604 WeakPolarHBondContact CB-OD2 3.29Å; S601-D604 PolarHBondContact O-N 2.74Å; S601-D604 PolarHBondContact OG-N 3.13Å; S601-D604 PolarHBondContact OG-OD2 2.87Å; S601-R605 WeakPolarHBondContact O-CB 3.45Å; S601-R605 WeakPolarHBondContact O-CG 3.49Å; S601-R605 PolarHBondContact O-N 2.7Å
602L97.1Very high95Very high3 Ų338.6 Ų38.62%0.01621%0.21CC..Hα-helixtrans-62.6-41.2179.5-175.458.1000111.8L529 Y532 L561 I571 F592 L597 R605 I606L529-L602 HydrophobicContact CD2-CB 4.34Å; L529-L602 HydrophobicContact CD2-CD2 3.55Å; Y532-L602 HydrophobicContact CE1-CB 4.16Å; L561-L602 HydrophobicContact CD1-CD2 4.07Å; I571-L602 HydrophobicContact CD1-CD2 3.97Å; I571-L602 HydrophobicContact CG2-CD2 4.46Å; F592-L602 HydrophobicContact CD2-CD1 4.06Å; F592-L602 HydrophobicContact CE2-CD1 4.34Å; L597-L602 HydrophobicContact CD2-CB 3.92Å; L597-L602 HydrophobicContact CD2-CD1 4.39Å; L602-R605 PolarHBondContact O-N 3.25Å; L602-I606 HydrophobicContact CD1-CD1 3.97Å; L602-I606 HydrophobicContact CD1-CG1 4.25Å; L602-I606 HydrophobicContact CG-CD1 3.79Å; L602-I606 HydrophobicContact CG-CG1 4.49Å; L602-I606 WeakPolarHBondContact O-CB 3.48Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.14Å; L602-I606 PolarHBondContact O-N 2.66Å
603G96.1Very high94.9Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-60.2-46.9174.400000112.2Y532 S601 R605 I606 R607 Y629Y532-G603 PolarHBondContact OH-N 3.32Å; S601-G603 VanDerWaalsContact C-N 3.34Å; S601-G603 PolarHBondContact O-N 2.71Å; G603-R605 PolarHBondContact O-N 3.26Å; G603-I606 PolarHBondContact O-N 2.66Å; G603-R607 WeakPolarHBondContact O-CB 3.32Å; G603-R607 PolarHBondContact O-N 3.32Å; G603-Y629 WeakPolarHBondContact O-CD1 3.37Å; G603-Y629 VanDerWaalsContact O-CE1 3.31Å; G603-Y629 WeakPolarHBondContact O-CE1 3.41Å
604D94.9Very high94.8Very high6 Ų643.1 Ų43.13%0.03223%0.226CC..Hα-helixtrans-63.9-40178.1-56.9-45.9000112.1R600 S601 R607 D608 K630R600-D604 HydrophobicContact CG-CB 3.77Å; S601-D604 WeakPolarHBondContact CB-OD2 3.29Å; S601-D604 PolarHBondContact O-N 2.74Å; S601-D604 PolarHBondContact OG-N 3.13Å; S601-D604 PolarHBondContact OG-OD2 2.87Å; D604-R607 WeakPolarHBondContact O-CB 3.42Å; D604-R607 PolarHBondContact O-N 3.17Å; D604-D608 VanDerWaalsContact O-CG 3.25Å; D604-D608 PolarHBondContact O-N 3.42Å; D604-D608 VanDerWaalsContact O-N 3.1Å; D604-K630 WeakPolarHBondContact OD1-CB 3.5Å; D604-K630 PolarHBondContact OD1-N 3.27Å; D604-K630 WeakPolarHBondContact OD2-CD 3.27Å
605R96Very high94.9Very high29 Ų2942.3 Ų42.311%0.10922%0.219CC..Hα-helixtrans-66-40.4175.5-74.4175.2-179.1-92.22.7112.5D596 R600 S601 L602 G603 R607 M648D596-R605 PolarHBondContact O-NE 2.92Å; D596-R605 PolarHBondContact O-NH2 2.8Å; R600-R605 HydrophobicContact CB-CG 4.3Å; R600-R605 HydrophobicContact CG-CG 4.09Å; R600-R605 PolarHBondContact O-NE 2.78Å; S601-R605 WeakPolarHBondContact O-CB 3.45Å; S601-R605 WeakPolarHBondContact O-CG 3.49Å; S601-R605 PolarHBondContact O-N 2.7Å; L602-R605 PolarHBondContact O-N 3.25Å; G603-R605 PolarHBondContact O-N 3.26Å; R605-R607 VanDerWaalsContact C-N 3.33Å; R605-M648 HydrophobicContact CB-CE 3.78Å; R605-M648 HydrophobicContact CB-SD 4.03Å; R605-M648 HydrophobicContact CG-CE 4.26Å; R605-M648 HydrophobicContact CG-SD 3.83Å; R605-M648 PolarHBondContact NH1-SD 3.44Å
606I96.5Very high95Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-66.1-37.9174.2-73.7168.1000110.4F559 L561 I573 L602 G603 K621 F625F559-I606 HydrophobicContact CE2-CD1 4.42Å; F559-I606 HydrophobicContact CE2-CG2 4.26Å; F559-I606 HydrophobicContact CZ-CG2 3.89Å; L561-I606 HydrophobicContact CD1-CD1 3.95Å; L561-I606 HydrophobicContact CD2-CD1 3.89Å; I573-I606 HydrophobicContact CD1-CG1 3.86Å; L602-I606 HydrophobicContact CD1-CD1 3.97Å; L602-I606 HydrophobicContact CD1-CG1 4.25Å; L602-I606 HydrophobicContact CG-CD1 3.79Å; L602-I606 HydrophobicContact CG-CG1 4.49Å; L602-I606 WeakPolarHBondContact O-CB 3.48Å; L602-I606 VanDerWaalsContact O-CG1 3.24Å; L602-I606 WeakPolarHBondContact O-CG1 3.14Å; L602-I606 PolarHBondContact O-N 2.66Å; G603-I606 PolarHBondContact O-N 2.66Å; I606-K621 HydrophobicContact CG2-CD 3.68Å; I606-K621 HydrophobicContact CG2-CG 3.75Å; I606-K621 WeakPolarHBondContact O-CD 3.18Å; I606-K621 PolarHBondContact O-NZ 3.08Å; I606-F625 HydrophobicContact CD1-CD1 4.1Å; I606-F625 HydrophobicContact CD1-CE1 3.64Å; I606-F625 HydrophobicContact CD1-CE2 4.25Å; I606-F625 HydrophobicContact CD1-CZ 3.74Å; I606-F625 HydrophobicContact CG2-CD2 3.88Å; I606-F625 HydrophobicContact CG2-CE2 4.13Å; I606-F625 HydrophobicContact CG2-CG 4.2Å
607R95.4Very high94.8Very high80 Ų8039 Ų3930%0.30221%0.207SC..Hα-helixtrans-60.7-47.5176.7-166.6177.2173-136.6-18.9112G603 D604 R605 L609 K621 Y629 E632G603-R607 WeakPolarHBondContact O-CB 3.32Å; G603-R607 PolarHBondContact O-N 3.32Å; D604-R607 WeakPolarHBondContact O-CB 3.42Å; D604-R607 PolarHBondContact O-N 3.17Å; R605-R607 VanDerWaalsContact C-N 3.33Å; R607-L609 PolarHBondContact O-N 2.9Å; R607-K621 PolarHBondContact O-NZ 2.76Å; R607-Y629 HydrophobicContact CB-CD1 3.96Å; R607-Y629 HydrophobicContact CB-CE1 3.62Å; R607-Y629 HydrophobicContact CG-CD1 4.32Å; R607-Y629 HydrophobicContact CG-CD2 4.36Å; R607-Y629 HydrophobicContact CG-CE1 4.06Å; R607-Y629 HydrophobicContact CG-CE2 4.09Å; R607-Y629 HydrophobicContact CG-CG 4.47Å; R607-E632 IonicContact CZ-OE2 3.25Å; R607-E632 VanDerWaalsContact NH1-CD 3.27Å; R607-E632 IonicContact NH1-OE1 3.49Å; R607-E632 IonicContact NH1-OE2 3.93Å; R607-E632 PolarHBondContact NH1-OE2 3.2Å; R607-E632 IonicContact NH2-OE2 3.87Å; R607-E632 PolarHBondContact NH2-OE2 3.25Å
608D94.1Very high94.7Very high28 Ų2845.7 Ų45.715%0.1524%0.236CC..Hα-helixtrans-59.6-40.7-177.5-64.3-26.8000113.5R600 D604 A610 K647 M648R600-D608 IonicContact CZ-OD1 3.53Å; R600-D608 IonicContact CZ-OD2 3.3Å; R600-D608 VanDerWaalsContact CZ-OD2 3.3Å; R600-D608 IonicContact NE-OD1 3.59Å; R600-D608 IonicContact NE-OD2 2.7Å; R600-D608 PolarHBondContact NE-OD2 2.99Å; R600-D608 VanDerWaalsContact NH2-CG 3.31Å; R600-D608 IonicContact NH2-OD1 2.74Å; R600-D608 PolarHBondContact NH2-OD1 2.89Å; R600-D608 IonicContact NH2-OD2 3.13Å; R600-D608 PolarHBondContact NH2-OD2 2.83Å; R600-D608 VanDerWaalsContact NH2-OD2 3.13Å; D604-D608 VanDerWaalsContact O-CG 3.25Å; D604-D608 PolarHBondContact O-N 3.42Å; D604-D608 VanDerWaalsContact O-N 3.1Å; D608-A610 PolarHBondContact O-N 3.04Å; D608-A610 VanDerWaalsContact O-N 3.14Å; D608-K647 HydrophobicContact CB-CB 4.39Å; D608-K647 VanDerWaalsContact OD2-CA 3.31Å; D608-K647 WeakPolarHBondContact OD2-CA 3.38Å; D608-M648 HydrophobicContact CB-CB 4.49Å; D608-M648 VanDerWaalsContact CB-O 3.3Å; D608-M648 WeakPolarHBondContact CB-O 3.32Å; D608-M648 PolarHBondContact OD2-N 3.39Å
609L94.3Very high94.7Very high0 Ų045.4 Ų45.40%022%0.223CC..  trans-71104.6-175.8-69.8-178.6000112.2I573 I589 R607 Q611 L612 K621 M648 V650I573-L609 HydrophobicContact CD1-CD1 4.22Å; I589-L609 HydrophobicContact CD1-CD1 3.43Å; I589-L609 VanDerWaalsContact CD1-CD1 3.43Å; R607-L609 PolarHBondContact O-N 2.9Å; L609-Q611 VanDerWaalsContact C-N 3.35Å; L609-Q611 VanDerWaalsContact C-OE1 3.32Å; L609-Q611 PolarHBondContact O-N 2.87Å; L609-L612 HydrophobicContact CB-CB 4.46Å; L609-L612 HydrophobicContact CB-CD1 3.83Å; L609-L612 HydrophobicContact CB-CG 3.81Å; L609-L612 HydrophobicContact CD1-CD1 3.64Å; L609-L612 HydrophobicContact CD1-CG 4.16Å; L609-L612 HydrophobicContact CG-CD1 4.41Å; L609-L612 PolarHBondContact O-N 2.66Å; L609-K621 PolarHBondContact O-NZ 3.14Å; L609-M648 HydrophobicContact CD1-CE 3.45Å; L609-M648 VanDerWaalsContact CD1-CE 3.45Å; L609-M648 HydrophobicContact CD2-CE 3.94Å; L609-M648 HydrophobicContact CG-CE 3.61Å; L609-V650 HydrophobicContact CD2-CG1 4.38Å
610A91Very high94.8Very high75 Ų7543 Ų4362%0.6222%0.215SC*.THydrogen-bonded Turntrans-70.6-26.4-175.200000113.9D608 L612D608-A610 PolarHBondContact O-N 3.04Å; D608-A610 VanDerWaalsContact O-N 3.14Å; A610-L612 VanDerWaalsContact C-N 3.26Å; A610-L612 PolarHBondContact O-N 2.79Å
611Q91.2Very high94.9Very high36 Ų3641.6 Ų41.617%0.16821%0.21CC..THydrogen-bonded Turntrans-71.7-19.1176.678.6-76.932.500113.4G557 L609G557-Q611 WeakPolarHBondContact CA-O 3.44Å; L609-Q611 VanDerWaalsContact C-N 3.35Å; L609-Q611 VanDerWaalsContact C-OE1 3.32Å; L609-Q611 PolarHBondContact O-N 2.87Å
612L94.9Very high94.9Very high3 Ų344.7 Ų44.72%0.01623%0.225CC..  trans-81.2118.2174.8-57.3-172.8000109.9F559 I573 H575 L609 A610 K621F559-L612 HydrophobicContact CB-CD2 3.85Å; F559-L612 HydrophobicContact CD1-CB 3.79Å; F559-L612 HydrophobicContact CD1-CD2 4.06Å; F559-L612 HydrophobicContact CD1-CG 4.33Å; F559-L612 HydrophobicContact CD2-CD1 4.4Å; F559-L612 HydrophobicContact CE1-CB 3.81Å; F559-L612 HydrophobicContact CE2-CD1 4.45Å; F559-L612 HydrophobicContact CG-CB 4.44Å; F559-L612 HydrophobicContact CG-CD1 4.43Å; F559-L612 HydrophobicContact CG-CD2 3.95Å; F559-L612 HydrophobicContact CZ-CB 4.45Å; I573-L612 HydrophobicContact CD1-CD1 3.97Å; I573-L612 HydrophobicContact CG2-CD1 4.08Å; I573-L612 HydrophobicContact CG2-CD2 4.14Å; H575-L612 HydrophobicContact CB-CD2 3.83Å; L609-L612 HydrophobicContact CB-CB 4.46Å; L609-L612 HydrophobicContact CB-CD1 3.83Å; L609-L612 HydrophobicContact CB-CG 3.81Å; L609-L612 HydrophobicContact CD1-CD1 3.64Å; L609-L612 HydrophobicContact CD1-CG 4.16Å; L609-L612 HydrophobicContact CG-CD1 4.41Å; L609-L612 PolarHBondContact O-N 2.66Å; A610-L612 VanDerWaalsContact C-N 3.26Å; A610-L612 PolarHBondContact O-N 2.79Å; L612-K621 HydrophobicContact CB-CD 3.91Å; L612-K621 VanDerWaalsContact O-CD 3.26Å; L612-K621 WeakPolarHBondContact O-CD 3.34Å; L612-K621 VanDerWaalsContact O-CE 3.28Å; L612-K621 WeakPolarHBondContact O-CE 3.46Å; L612-K621 PolarHBondContact O-NZ 3Å
613K94.8Very high94.8Very high100 Ų10050.2 Ų50.244%0.43525%0.251SS..  trans-118.1-48.6-172.9-62170.7-169.3166.80112.6D556 G557 K621D556-K613 IonicContact OD2-NZ 2.69Å; D556-K613 PolarHBondContact OD2-NZ 2.9Å; G557-K613 PolarHBondContact O-N 2.84Å; K613-K621 WeakPolarHBondContact O-CB 3.48Å; K613-K621 PolarHBondContact O-N 3.42Å
614N96.3Very high94.7Very high45 Ų4550.8 Ų50.824%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-128.7128.9-175.7-60.9-61.6000111.5G557 T558 F559 K619G557-N614 PolarHBondContact O-N 3.43Å; G557-N614 VanDerWaalsContact O-N 3.16Å; T558-N614 CarbonylContact C-O 3.59Å; T558-N614 VanDerWaalsContact CA-O 3.28Å; T558-N614 WeakPolarHBondContact CA-O 3.43Å; F559-N614 WeakPolarHBondContact CD1-O 3.36Å; F559-N614 PolarHBondContact N-O 2.9Å; N614-K619 CarbonylContact C-O 3.59Å; N614-K619 WeakPolarHBondContact CA-O 3.48Å
615L97.6Very high94.8Very high6 Ų650.5 Ų50.53%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-76131.1164.9-178.968.8000109.2L537 F559 L561 P617 K618 K619 A624 F625L537-L615 HydrophobicContact CB-CD2 4.15Å; L537-L615 HydrophobicContact CD2-CD2 3.91Å; F559-L615 HydrophobicContact CD2-CD1 4.13Å; F559-L615 HydrophobicContact CE1-CB 4.43Å; F559-L615 HydrophobicContact CE2-CD1 3.79Å; F559-L615 HydrophobicContact CZ-CB 4.17Å; F559-L615 HydrophobicContact CZ-CD1 4.28Å; L561-L615 HydrophobicContact CG-CD1 4.48Å; L615-P617 CarbonylContact O-C 3.55Å; L615-K618 PolarHBondContact O-N 3.24Å; L615-K619 HydrophobicContact CB-CB 4.33Å; L615-K619 PolarHBondContact N-O 2.95Å; L615-K619 PolarHBondContact O-N 3.24Å; L615-A624 HydrophobicContact CB-CB 4.29Å; L615-A624 HydrophobicContact CD2-CB 3.92Å; L615-F625 HydrophobicContact CB-CE2 4.2Å; L615-F625 HydrophobicContact CD1-CE2 4.17Å; L615-F625 HydrophobicContact CD1-CZ 4.11Å; L615-F625 HydrophobicContact CD2-CE2 3.87Å; L615-F625 HydrophobicContact CD2-CZ 3.93Å; L615-F625 HydrophobicContact CG-CE2 4.31Å
616Y95.8Very high94.7Very high72 Ų7257.1 Ų57.128%0.28228%0.279SS..THydrogen-bonded Turntrans-54.8136.1178-179.6-89.3000111.5I539 L550 L551 E554 F559I539-Y616 HydrophobicContact CD1-CD1 4.1Å; L550-Y616 HydrophobicContact CB-CE2 4.48Å; L551-Y616 HydrophobicContact CD2-CD2 4.33Å; E554-Y616 HydrophobicContact CG-CD2 4.37Å; E554-Y616 HydrophobicContact CG-CE2 4.35Å; F559-Y616 WeakPolarHBondContact O-CB 3.4Å; F559-Y616 PolarHBondContact O-N 3.38Å
617P90.8Very high94.6Very high64 Ų6461.6 Ų61.642%0.41631%0.311SS..THydrogen-bonded Turncis-74.2-56.6-0.328.4-33000112.8L615L615-P617 CarbonylContact O-C 3.55Å
618K92.7Very high94.5Very high155 Ų15558.7 Ų58.767%0.67430%0.3SS*.THydrogen-bonded Turntrans-144.138.1-166.6-59.3-176-177.6178.60113.2E554 L615E554-K618 WeakPolarHBondContact OE2-CE 3.44Å; L615-K618 PolarHBondContact O-N 3.24Å
619K94.6Very high94.5Very high86 Ų8659.2 Ų59.237%0.37430%0.3SS..EExtended strand (participates in β ladder)trans-97.7125.6179.2-67.8-179.4176.6179.40110.9N614 L615 A624N614-K619 CarbonylContact C-O 3.59Å; N614-K619 WeakPolarHBondContact CA-O 3.48Å; L615-K619 HydrophobicContact CB-CB 4.33Å; L615-K619 PolarHBondContact N-O 2.95Å; L615-K619 PolarHBondContact O-N 3.24Å; K619-A624 HydrophobicContact CB-CB 4.31Å
620P96.9Very high94.3Very high57 Ų5765.2 Ų65.237%0.3733%0.327SS..EExtended strand (participates in β ladder)trans-58.6140.7174.6-24.134.2000112.4D622 E623 A624P620-D622 PolarHBondContact O-N 3.18Å; P620-E623 HydrophobicContact CB-CB 4.06Å; P620-E623 HydrophobicContact CG-CB 4.44Å; P620-E623 WeakPolarHBondContact O-CB 3.3Å; P620-E623 PolarHBondContact O-N 3.17Å; P620-E623 VanDerWaalsContact O-N 3.11Å; P620-A624 PolarHBondContact O-N 3.04Å
621K96.4Very high93.9Very high13 Ų1367.2 Ų67.26%0.05733%0.333CS..Hα-helixtrans-53.3-53.4-176.5-174.2177.371.91660112.9F559 I606 R607 L609 L612 K613 E623 A624 F625F559-K621 HydrophobicContact CE1-CB 4.34Å; F559-K621 HydrophobicContact CE1-CD 4.36Å; F559-K621 HydrophobicContact CE1-CG 4.21Å; F559-K621 HydrophobicContact CZ-CD 4.48Å; F559-K621 HydrophobicContact CZ-CG 4.17Å; I606-K621 HydrophobicContact CG2-CD 3.68Å; I606-K621 HydrophobicContact CG2-CG 3.75Å; I606-K621 WeakPolarHBondContact O-CD 3.18Å; I606-K621 PolarHBondContact O-NZ 3.08Å; R607-K621 PolarHBondContact O-NZ 2.76Å; L609-K621 PolarHBondContact O-NZ 3.14Å; L612-K621 HydrophobicContact CB-CD 3.91Å; L612-K621 VanDerWaalsContact O-CD 3.26Å; L612-K621 WeakPolarHBondContact O-CD 3.34Å; L612-K621 VanDerWaalsContact O-CE 3.28Å; L612-K621 WeakPolarHBondContact O-CE 3.46Å; L612-K621 PolarHBondContact O-NZ 3Å; K613-K621 WeakPolarHBondContact O-CB 3.48Å; K613-K621 PolarHBondContact O-N 3.42Å; K621-E623 PolarHBondContact O-N 3.03Å; K621-A624 PolarHBondContact O-N 2.86Å; K621-F625 HydrophobicContact CG-CD2 4.37Å; K621-F625 WeakPolarHBondContact O-CD2 3.42Å; K621-F625 PolarHBondContact O-N 3.09Å
622D94.9Very high93.3Very high81 Ų8169.5 Ų69.543%0.43334%0.344SS..Hα-helixtrans-80.54.4-177-52.3-93.3000113.7P620 R626 Y629P620-D622 PolarHBondContact O-N 3.18Å; D622-R626 PolarHBondContact O-NE 2.69Å; D622-R626 PolarHBondContact O-NH2 2.93Å; D622-Y629 HydrophobicContact CB-CE2 4.22Å; D622-Y629 WeakPolarHBondContact OD1-CE2 3.27Å; D622-Y629 PolarHBondContact OD1-OH 2.84Å; D622-Y629 VanDerWaalsContact OD1-OH 3.13Å
623E95.5Very high92.2Very high118 Ų11876.6 Ų76.655%0.55138%0.377SS*.Hα-helixtrans-93.6-52.7161.5-170.5-172.6133.200109.8P620 K621 F625P620-E623 HydrophobicContact CB-CB 4.06Å; P620-E623 HydrophobicContact CG-CB 4.44Å; P620-E623 WeakPolarHBondContact O-CB 3.3Å; P620-E623 PolarHBondContact O-N 3.17Å; P620-E623 VanDerWaalsContact O-N 3.11Å; K621-E623 PolarHBondContact O-N 3.03Å; E623-F625 PolarHBondContact O-N 3.14Å
624A95.3Very high90.5Very high13 Ų1380.8 Ų80.811%0.10740%0.4CS..Hα-helixtrans-61.7-39.6-177.300000114L537 L615 K619 P620 K621L537-A624 VanDerWaalsContact CD1-O 3.24Å; L537-A624 WeakPolarHBondContact CD1-O 3.21Å; L537-A624 HydrophobicContact CD2-CB 4.19Å; L615-A624 HydrophobicContact CB-CB 4.29Å; L615-A624 HydrophobicContact CD2-CB 3.92Å; K619-A624 HydrophobicContact CB-CB 4.31Å; P620-A624 PolarHBondContact O-N 3.04Å; K621-A624 PolarHBondContact O-N 2.86Å
625F96.5Very high88.9Confident0 Ų081 Ų810%041%0.413CS..THydrogen-bonded Turntrans-106.67.6-173.1-65.8-82.8000114.5Y532 L537 F559 L561 I606 L615 K621 E623 S627 H628 Y629Y532-F625 AromaticContact CD1-CD1 4Å; Y532-F625 HydrophobicContact CD1-CD1 4Å; Y532-F625 AromaticContact CD1-CE1 3.94Å; Y532-F625 HydrophobicContact CD1-CE1 3.94Å; Y532-F625 HydrophobicContact CE1-CD1 4.08Å; Y532-F625 HydrophobicContact CE1-CE1 4.36Å; L537-F625 HydrophobicContact CB-CE1 4.1Å; L537-F625 HydrophobicContact CB-CZ 4.21Å; L537-F625 HydrophobicContact CD1-CD1 3.91Å; L537-F625 HydrophobicContact CD1-CE1 3.84Å; L537-F625 HydrophobicContact CD1-CZ 4.45Å; F559-F625 AromaticContact CE2-CE2 3.96Å; F559-F625 HydrophobicContact CE2-CE2 3.96Å; F559-F625 HydrophobicContact CE2-CZ 4.3Å; F559-F625 HydrophobicContact CZ-CD2 4.4Å; F559-F625 AromaticContact CZ-CE2 3.71Å; F559-F625 HydrophobicContact CZ-CE2 3.71Å; F559-F625 HydrophobicContact CZ-CZ 4.48Å; L561-F625 HydrophobicContact CD1-CE1 3.88Å; L561-F625 HydrophobicContact CD1-CZ 3.7Å; I606-F625 HydrophobicContact CD1-CD1 4.1Å; I606-F625 HydrophobicContact CD1-CE1 3.64Å; I606-F625 HydrophobicContact CD1-CE2 4.25Å; I606-F625 HydrophobicContact CD1-CZ 3.74Å; I606-F625 HydrophobicContact CG2-CD2 3.88Å; I606-F625 HydrophobicContact CG2-CE2 4.13Å; I606-F625 HydrophobicContact CG2-CG 4.2Å; L615-F625 HydrophobicContact CB-CE2 4.2Å; L615-F625 HydrophobicContact CD1-CE2 4.17Å; L615-F625 HydrophobicContact CD1-CZ 4.11Å; L615-F625 HydrophobicContact CD2-CE2 3.87Å; L615-F625 HydrophobicContact CD2-CZ 3.93Å; L615-F625 HydrophobicContact CG-CE2 4.31Å; K621-F625 HydrophobicContact CG-CD2 4.37Å; K621-F625 WeakPolarHBondContact O-CD2 3.42Å; K621-F625 PolarHBondContact O-N 3.09Å; E623-F625 PolarHBondContact O-N 3.14Å; F625-S627 VanDerWaalsContact C-N 3.32Å; F625-S627 PolarHBondContact O-N 3.49Å; F625-H628 WeakPolarHBondContact O-CA 3.31Å; F625-H628 WeakPolarHBondContact O-CB 3.35Å; F625-H628 PolarHBondContact O-N 3.03Å; F625-Y629 HydrophobicContact CB-CD1 4.17Å; F625-Y629 HydrophobicContact CB-CE1 3.44Å; F625-Y629 VanDerWaalsContact CB-CE1 3.44Å; F625-Y629 WeakPolarHBondContact O-CD1 3.25Å; F625-Y629 PolarHBondContact O-N 2.74Å
626R93.8Very high87.2Confident167 Ų16787.9 Ų87.963%0.6344%0.443SS*.G310 helixtrans-55.6-40.9-173-167.1176.3-60.1157.75.5114.2D622 H628D622-R626 PolarHBondContact O-NE 2.69Å; D622-R626 PolarHBondContact O-NH2 2.93Å; R626-H628 PolarHBondContact O-N 3.42Å
627S93.7Very high85.5Confident95 Ų9588.3 Ų88.366%0.66445%0.45SS*.G310 helixtrans-71.7-12.5177.243.40000114F625F625-S627 VanDerWaalsContact C-N 3.32Å; F625-S627 PolarHBondContact O-N 3.49Å
628H94.1Very high84.2Confident18 Ų1889.7 Ų89.78%0.08348%0.476CS..G310 helixtrans-109.7-2.3-175-56.2-86.8000113.3S531 Y532 D535 F625 R626S531-H628 PolarHBondContact OG-CE1 2.74Å; Y532-H628 HydrophobicContact CD1-CB 4.24Å; Y532-H628 AromaticContact CD1-CG 3.82Å; Y532-H628 AromaticContact CD1-ND1 3.74Å; Y532-H628 AromaticContact CD2-ND1 3.9Å; Y532-H628 HydrophobicContact CE1-CB 3.5Å; Y532-H628 AromaticContact CE1-CG 3.58Å; Y532-H628 AromaticContact CE1-ND1 3.7Å; Y532-H628 AromaticContact CE2-ND1 3.83Å; Y532-H628 AromaticContact CG-ND1 3.86Å; Y532-H628 AromaticContact CZ-CG 3.94Å; Y532-H628 AromaticContact CZ-ND1 3.73Å; D535-H628 IonicContact OD2-CD2 3.69Å; D535-H628 IonicContact OD2-CE1 2.63Å; D535-H628 PolarHBondContact OD2-CE1 2.88Å; D535-H628 VanDerWaalsContact OD2-CE1 3.25Å; D535-H628 IonicContact OD2-NE2 3.46Å; D535-H628 PolarHBondContact OD2-NE2 3.11Å; F625-H628 WeakPolarHBondContact O-CA 3.31Å; F625-H628 WeakPolarHBondContact O-CB 3.35Å; F625-H628 PolarHBondContact O-N 3.03Å; R626-H628 PolarHBondContact O-N 3.42Å
629Y94.1Very high83.3Confident40 Ų4091.8 Ų91.816%0.15748%0.48CS..PPolyproline II helixtrans-81.3133.5174.5-64.2-19.4000111.3G603 R607 D622 F625G603-Y629 WeakPolarHBondContact O-CD1 3.37Å; G603-Y629 VanDerWaalsContact O-CE1 3.31Å; G603-Y629 WeakPolarHBondContact O-CE1 3.41Å; R607-Y629 HydrophobicContact CB-CD1 3.96Å; R607-Y629 HydrophobicContact CB-CE1 3.62Å; R607-Y629 HydrophobicContact CG-CD1 4.32Å; R607-Y629 HydrophobicContact CG-CD2 4.36Å; R607-Y629 HydrophobicContact CG-CE1 4.06Å; R607-Y629 HydrophobicContact CG-CE2 4.09Å; R607-Y629 HydrophobicContact CG-CG 4.47Å; D622-Y629 HydrophobicContact CB-CE2 4.22Å; D622-Y629 WeakPolarHBondContact OD1-CE2 3.27Å; D622-Y629 PolarHBondContact OD1-OH 2.84Å; D622-Y629 VanDerWaalsContact OD1-OH 3.13Å; F625-Y629 HydrophobicContact CB-CD1 4.17Å; F625-Y629 HydrophobicContact CB-CE1 3.44Å; F625-Y629 VanDerWaalsContact CB-CE1 3.44Å; F625-Y629 WeakPolarHBondContact O-CD1 3.25Å; F625-Y629 PolarHBondContact O-N 2.74Å
630K89.8Confident82.4Confident126 Ų12690 Ų9055%0.54849%0.486SS..PPolyproline II helixtrans-77.5139.3168-64.1-178.3-174.1177.10110.2D604 E632D604-K630 WeakPolarHBondContact OD1-CB 3.5Å; D604-K630 PolarHBondContact OD1-N 3.27Å; D604-K630 WeakPolarHBondContact OD2-CD 3.27Å; K630-E632 PolarHBondContact O-N 2.92Å
631P83.4Confident81.3Confident117 Ų11794.9 Ų94.976%0.7650%0.498SS*.PPolyproline II helixtrans-66131.7173.627.7-33.7000110.2Q633P631-Q633 PolarHBondContact O-N 2.7Å
632E78.8Confident80.5Confident83 Ų8399.5 Ų99.539%0.38853%0.527SS..PPolyproline II helixtrans-73120.3173.2-79.2163.7133.900109.6R607 K630 M634 K647R607-E632 IonicContact CZ-OE2 3.25Å; R607-E632 VanDerWaalsContact NH1-CD 3.27Å; R607-E632 IonicContact NH1-OE1 3.49Å; R607-E632 IonicContact NH1-OE2 3.93Å; R607-E632 PolarHBondContact NH1-OE2 3.2Å; R607-E632 IonicContact NH2-OE2 3.87Å; R607-E632 PolarHBondContact NH2-OE2 3.25Å; K630-E632 PolarHBondContact O-N 2.92Å; E632-M634 PolarHBondContact O-N 3.13Å; E632-M634 VanDerWaalsContact O-N 3.11Å; E632-K647 WeakPolarHBondContact OE1-CE 3.42Å; E632-K647 IonicContact OE1-NZ 3.38Å; E632-K647 PolarHBondContact OE1-NZ 3.4Å
633Q70.6Confident79.8Confident153 Ų15397.9 Ų97.972%0.71552%0.521SS*.  trans-78.397.1178.3-67.1-173.6-3.600109.9P631 G635P631-Q633 PolarHBondContact O-N 2.7Å; Q633-G635 VanDerWaalsContact C-N 3.27Å
634M59.2Low79.2Confident187 Ų18797.3 Ų97.392%0.92154%0.536SS*.  trans-81.7-3.4177.5-57.3-175.178.600113.6E632E632-M634 PolarHBondContact O-N 3.13Å; E632-M634 VanDerWaalsContact O-N 3.11Å
635G62.4Low78.7Confident50 Ų50101.4 Ų101.452%0.51556%0.56SS.*SBendtrans-77.4141.2173.600000111.7Q633 P643Q633-G635 VanDerWaalsContact C-N 3.27Å; G635-P643 WeakPolarHBondContact O-CD 3.46Å; G635-P643 WeakPolarHBondContact O-CG 3.46Å
636K62Low78.3Confident151 Ų151107.3 Ų107.366%0.65759%0.59SS**PPolyproline II helixtrans-67.6148159.9-62.5-175.6-178.5-178.50108.7Y641 V642K636-Y641 WeakPolarHBondContact CA-O 3.37Å; K636-V642 HydrophobicContact CD-CG2 4.46Å; K636-V642 HydrophobicContact CG-CG2 4.26Å
637D60.9Low78.2Confident81 Ų81104.5 Ų104.543%0.43358%0.583SS.*PPolyproline II helixtrans-54.2151165.2-90.3-17.9000109.8R639 G640 Y641D637-R639 PolarHBondContact O-N 2.96Å; D637-G640 PolarHBondContact O-N 3.41Å; D637-Y641 PolarHBondContact N-O 3.24Å
638G62.3Low78Confident93 Ų93101.2 Ų101.296%0.95956%0.557SS**THydrogen-bonded Turntrans-61.45.7174.800000115.6
639R73.3Confident77.8Confident199 Ų199105.1 Ų105.175%0.75158%0.583SS**THydrogen-bonded Turntrans-11810.2172.4-63.3-175.6-64.6-97.1-6.3113.3D637 Y641D637-R639 PolarHBondContact O-N 2.96Å; R639-Y641 HydrophobicContact CB-CD2 4.1Å; R639-Y641 HydrophobicContact CB-CE2 4.2Å
640G76.4Confident77.4Confident49 Ų49105.4 Ų105.451%0.50559%0.588SS.*SBendtrans91.5-9.7173.600000116.5D637D637-G640 PolarHBondContact O-N 3.41Å
641Y74.8Confident76.5Confident159 Ų159108.4 Ų108.462%0.62460%0.604SS**PPolyproline II helixtrans-66.7142.6176.4-62.4-77.7000111.9K636 D637 R639K636-Y641 WeakPolarHBondContact CA-O 3.37Å; D637-Y641 PolarHBondContact N-O 3.24Å; R639-Y641 HydrophobicContact CB-CD2 4.1Å; R639-Y641 HydrophobicContact CB-CE2 4.2Å
642V79.4Confident75.4Confident109 Ų109110.2 Ų110.266%0.66160%0.596SS**PPolyproline II helixtrans-95.5130174.6-179.30000108.6K636 A644K636-V642 HydrophobicContact CD-CG2 4.46Å; K636-V642 HydrophobicContact CG-CG2 4.26Å; V642-A644 PolarHBondContact O-N 2.76Å
643P79.4Confident73.8Confident48 Ų48109.4 Ų109.431%0.31259%0.594SS.*PPolyproline II helixtrans-60.8120.7177.4-25.535.2000112.8G635G635-P643 WeakPolarHBondContact O-CD 3.46Å; G635-P643 WeakPolarHBondContact O-CG 3.46Å
644A83.8Confident72.1Confident106 Ų106110 Ų11088%0.87660%0.597SS**PPolyproline II helixtrans-77.3129.8169.400000109.7V642V642-A644 PolarHBondContact O-N 2.76Å
645T84.3Confident71Confident98 Ų98106.6 Ų106.660%0.60159%0.589SS**  trans-124137.4-178.961.20000111.3
646I88.6Confident69.6Low124 Ų124112.2 Ų112.264%0.63661%0.606SS**  trans-97.3128.9175.9-55.7171.5000107.8R600R600-I646 WeakPolarHBondContact CD-O 3.24Å; R600-I646 PolarHBondContact NE-O 2.86Å; R600-I646 PolarHBondContact NH1-O 3.15Å
647K90.1Very high68.2Low108 Ų108110.6 Ų110.647%0.4761%0.611SS.*  trans-116.3157.8170.9-63.8-161.8175-1640110.6D608 E632D608-K647 HydrophobicContact CB-CB 4.39Å; D608-K647 VanDerWaalsContact OD2-CA 3.31Å; D608-K647 WeakPolarHBondContact OD2-CA 3.38Å; E632-K647 WeakPolarHBondContact OE1-CE 3.42Å; E632-K647 IonicContact OE1-NZ 3.38Å; E632-K647 PolarHBondContact OE1-NZ 3.4Å
648M91.3Very high66.8Low27 Ų27112.7 Ų112.713%0.13363%0.627CS.*  trans-106.9129179.2-169.1-176.377.800111F592 R605 D608 L609F592-M648 HydrophobicContact CE1-CE 4.36Å; F592-M648 HydrophobicContact CE1-SD 3.59Å; F592-M648 VanDerWaalsContact CE1-SD 3.59Å; F592-M648 HydrophobicContact CZ-CE 3.7Å; F592-M648 HydrophobicContact CZ-SD 3.56Å; F592-M648 VanDerWaalsContact CZ-SD 3.56Å; R605-M648 HydrophobicContact CB-CE 3.78Å; R605-M648 HydrophobicContact CB-SD 4.03Å; R605-M648 HydrophobicContact CG-CE 4.26Å; R605-M648 HydrophobicContact CG-SD 3.83Å; R605-M648 PolarHBondContact NH1-SD 3.44Å; D608-M648 HydrophobicContact CB-CB 4.49Å; D608-M648 VanDerWaalsContact CB-O 3.3Å; D608-M648 WeakPolarHBondContact CB-O 3.32Å; D608-M648 PolarHBondContact OD2-N 3.39Å; L609-M648 HydrophobicContact CD1-CE 3.45Å; L609-M648 VanDerWaalsContact CD1-CE 3.45Å; L609-M648 HydrophobicContact CD2-CE 3.94Å; L609-M648 HydrophobicContact CG-CE 3.61Å
649T88.5Confident65.6Low100 Ų100114.2 Ų114.261%0.61362%0.62SS**  trans-130.2169.1177.650.30000110.4D653T649-D653 VanDerWaalsContact CA-OD2 3.27Å; T649-D653 WeakPolarHBondContact CA-OD2 3.43Å; T649-D653 WeakPolarHBondContact CB-OD2 3.42Å; T649-D653 HydrophobicContact CG2-CB 4.35Å
650V86.8Confident63.6Low46 Ų46113.5 Ų113.528%0.27963%0.625SS.*  trans-122.5155.6166.1-63.30000109.1L609 R652 D653L609-V650 HydrophobicContact CD2-CG1 4.38Å; V650-R652 PolarHBondContact O-N 3.21Å; V650-D653 PolarHBondContact N-OD2 3.4Å; V650-D653 VanDerWaalsContact O-CB 3.28Å; V650-D653 WeakPolarHBondContact O-CB 3.15Å; V650-D653 PolarHBondContact O-N 3.49Å
651E71.1Confident61.6Low189 Ų189119.1 Ų119.188%0.88364%0.643SS**G310 helixtrans-62-20.1-164.9-63.1-172.3142.900115.4D653 Q654E651-D653 PolarHBondContact O-N 3.25Å; E651-Q654 PolarHBondContact O-N 2.96Å
652R59.3Low59.6Low155 Ų155120.9 Ų120.959%0.58566%0.657SS**G310 helixtrans-69.8-5.4170.2-85.2-157.9-103.9-159.7-4.7114.9E587 V650 Q654E587-R652 IonicContact OE1-CZ 2.66Å; E587-R652 IonicContact OE1-NE 2.74Å; E587-R652 IonicContact OE1-NH2 2.94Å; E587-R652 PolarHBondContact OE1-NH2 2.74Å; V650-R652 PolarHBondContact O-N 3.21Å; R652-Q654 PolarHBondContact O-N 3.39Å
653D45.4Very low57.3Low65 Ų65123.6 Ų123.635%0.34866%0.664SS.*G310 helixtrans-74.5-8.3173.9-71.1-44.8000113.4T649 V650 E651 P655T649-D653 VanDerWaalsContact CA-OD2 3.27Å; T649-D653 WeakPolarHBondContact CA-OD2 3.43Å; T649-D653 WeakPolarHBondContact CB-OD2 3.42Å; T649-D653 HydrophobicContact CG2-CB 4.35Å; V650-D653 PolarHBondContact N-OD2 3.4Å; V650-D653 VanDerWaalsContact O-CB 3.28Å; V650-D653 WeakPolarHBondContact O-CB 3.15Å; V650-D653 PolarHBondContact O-N 3.49Å; E651-D653 PolarHBondContact O-N 3.25Å; D653-P655 WeakPolarHBondContact O-CD 3.46Å
654Q34.4Very low55.2Low166 Ų166126.9 Ų126.978%0.77669%0.686SS**SBendtrans-85.9123.2172.7-65.7-168.920.400111.5E651 R652E651-Q654 PolarHBondContact O-N 2.96Å; R652-Q654 PolarHBondContact O-N 3.39Å
655P36.5Very low52.6Low115 Ų115128.4 Ų128.475%0.74768%0.684SS**PPolyproline II helixtrans-60.5140.8160.9-1831.6000109.9D653D653-P655 WeakPolarHBondContact O-CD 3.46Å
656L32.5Very low50.1Low168 Ų168132.1 Ų132.188%0.8870%0.697SS**PPolyproline II helixtrans-54.2130167.2-74.7162.4000108.9T658L656-T658 PolarHBondContact O-N 2.84Å; L656-T658 VanDerWaalsContact O-N 3.16Å
657P33.3Very low47.5Very low118 Ų118132.1 Ų132.177%0.76670%0.702SS**PPolyproline II helixtrans-63.7120.4-176.724.7-33.2000110.2
658T31.5Very low44.8Very low124 Ų124132.9 Ų132.976%0.76172%0.718SS**PPolyproline II helixtrans-55.8128.5169.113.10000109.6L656 E660L656-T658 PolarHBondContact O-N 2.84Å; L656-T658 VanDerWaalsContact O-N 3.16Å; T658-E660 PolarHBondContact O-N 3.01Å; T658-E660 VanDerWaalsContact O-N 3.09Å
659P36.6Very low41.8Very low125 Ų125136.6 Ų136.681%0.81275%0.747SS**  trans-63.8112.7172.7-2032.3000109.7L661P659-L661 PolarHBondContact O-N 2.98Å
660E31.7Very low39.1Very low184 Ų184142.4 Ų142.486%0.8676%0.759SS**  trans-68.4132.9176-67.9-166.8138.600110.6T658 Q662T658-E660 PolarHBondContact O-N 3.01Å; T658-E660 VanDerWaalsContact O-N 3.09Å; E660-Q662 PolarHBondContact O-N 3.42Å
661L35.1Very low36.5Very low168 Ų168147.2 Ų147.288%0.8878%0.783SS**  trans-69.7115.3177.6-77160.6000109.9P659 M663P659-L661 PolarHBondContact O-N 2.98Å; L661-M663 PolarHBondContact O-N 3.4Å
662Q32.2Very low34.7Very low196 Ų196146.3 Ų146.392%0.91678%0.784SS**  trans-62.2122.6174.4-69.6-178-2000110.9E660E660-Q662 PolarHBondContact O-N 3.42Å
663M30.9Very low33.3Very low166 Ų166142.4 Ų142.482%0.81879%0.792SS**  trans-115134.8163.8-76.9-69.2-72.100108.8L661L661-M663 PolarHBondContact O-N 3.4Å
664P35.1Very low32.7Very low117 Ų117148.5 Ų148.576%0.7682%0.82SS**PPolyproline II helixtrans-83.6123-169.331.3-34.4000112.8
665T30.1Very low32.5Very low137 Ų137144.6 Ų144.684%0.8482%0.817SS**PPolyproline II helixtrans-82.5125.7170.1-55.30000110.4
666M31.6Very low33.4Very low176 Ų176144.1 Ų144.187%0.86781%0.814SS**PPolyproline II helixtrans-77.9150.2176.2-63.6-166.775.200112.6
667V33.5Very low33.3Very low124 Ų124142.5 Ų142.575%0.75281%0.806SS**  trans-108.9140174.7-165.90000109.9
668P33.8Very low33.3Very low124 Ų124141.6 Ų141.681%0.80580%0.802SS**  trans-118.1153.2149.86.715.1000111.9
669S27.7Very low33.5Very low106 Ų106140.4 Ų140.474%0.74180%0.799SS**  trans-117.5142.1-159.2-43.90000115.9
670Y33Very low33.3Very low222 Ų222142.9 Ų142.987%0.87180%0.802SS**  -161.6140.3128.751.7-93.3000108.8
671D32Very low33.2Very low147 Ų147138.9 Ų138.979%0.78679%0.794SS**  cis102.2154.415.1-161.626.2000115
672L32.3Very low33Very low170 Ų170137.9 Ų137.989%0.8979%0.787SS**  trans70.8121-154.2-60.5158.8000112.4
673G29.5Very low32.9Very low73 Ų73135.7 Ų135.775%0.75378%0.777SS**  cis135.9140.414.300000107.3
674M33Very low32.7Very low192 Ų192135.6 Ų135.695%0.94678%0.779SS**  cis-144167.117.1-85.9-75.3-16300111.4
675A31.6Very low32.2Very low85 Ų85133.3 Ų133.370%0.70278%0.776SS**  trans-116.8-164.2163.900000108.1
676P54.6Low33Very low105 Ų105132.5 Ų132.568%0.68277%0.774SS**  cis-122.6-156.7-1.729.4-2.5000110.9
677D29.7Very low32.8Very low133 Ų133130.9 Ų130.971%0.71177%0.768SS**  cis-155138.932-101.3-45.5000110
678S33.8Very low32.7Very low99 Ų99132.3 Ų132.369%0.69277%0.769SS**  87.2142.269.8-64.80000113.4
679S35.1Very low32.6Very low100 Ų100132.7 Ų132.770%0.69977%0.768SS**  cis-163.7149.95.240.20000114.3
680M32.2Very low33.2Very low176 Ų176132.6 Ų132.687%0.86777%0.765SS**  trans50.8160.7140.2-55-57.6155.700121.2
681S30.1Very low32.9Very low101 Ų101130.6 Ų130.671%0.70676%0.764SS**  cis-151.7141.713.6179.70000108
682M30.3Very low32.6Very low146 Ų146129.7 Ų129.772%0.71976%0.763SS**  48.2138.676.1-64-64.5-168.500114.1
683Q30.1Very low32.3Very low150 Ų150131.8 Ų131.870%0.70176%0.761SS**  cis-169.7160.117.7-124.9160.1500114.8
684L27.6Very low33Very low164 Ų164133.7 Ų133.786%0.85976%0.76SS**  trans67.4158.2148.8-71.1156.8000123.1
685G23.7Very low34Very low69 Ų69129.3 Ų129.371%0.71175%0.746SS**  trans-109.5-138.8-177.200000113.9
686P47.3Very low33.9Very low121 Ų121134.1 Ų134.179%0.78675%0.754SS**  cis-142.2-1629.741.2-19000116.2
687D28.4Very low32.6Very low141 Ų141132.8 Ų132.875%0.75475%0.747SS**  trans97.6156.3141.9-117.4-40.3000124.4
688M30.5Very low32.5Very low155 Ų155134.4 Ų134.476%0.76475%0.75SS**  trans75.6127164.9-69.4-85.183.800122.8
689V31.2Very low32Very low131 Ų131135.1 Ų135.179%0.79476%0.755SS**  trans-145.2131.9170.31700000105.3
690P42.2Very low31.6Very low104 Ų104137.9 Ų137.968%0.67576%0.76SS**  -158.8179.2102.240.1-19.1000118.1
691Q25.3Very low31.9Very low181 Ų181135.2 Ų135.285%0.84676%0.756SS**  trans79.8151.7162.1-59.7-166.4-28.700119.1
692V25.9Very low32.9Very low128 Ų128135.2 Ų135.278%0.77675%0.753SS**  cis-163.3144.9-42.8127.90000108.2
693Y26.2Very low32.7Very low213 Ų213138.3 Ų138.384%0.83576%0.759SS**  trans-33.2168.9166.2-80.7-68.7000119.8
694P44.8Very low32.5Very low114 Ų114139.7 Ų139.774%0.7477%0.765SS**  cis-132.7-123.8-5.630.4-3.2000114.8
695P53.9Low32.3Very low100 Ų100135.8 Ų135.865%0.64976%0.764SS**  trans-129.5-169.8-131.240.6-17.4000115.7
696H29Very low32.4Very low186 Ų186141 Ų14186%0.86178%0.775SS**  trans-177.3-172.5133.1-96.4-59.7000112.5
697S28.2Very low31.3Very low77 Ų77140.1 Ų140.154%0.53877%0.772SS.*  trans-132.5-175.4-150.642.80000115.9
698H26.8Very low32.2Very low167 Ų167138.2 Ų138.277%0.77377%0.767SS**  trans84.8151.2169.7-45.4-66.1000116.7
699S23.9Very low32Very low114 Ų114139 Ų13980%0.79777%0.769SS**  cis-163.4164.9-18.9-990000112.8
700I26.3Very low31.8Very low158 Ų158140.6 Ų140.681%0.8177%0.768SS**  trans-77.4158.7178.7-84.5163000111.9
701P38.9Very low31.1Very low119 Ų119140 Ų14077%0.77377%0.766SS**  cis-131.8-101.434.522.96000121.9
702P50.9Low31.2Very low101 Ų101136.6 Ų136.666%0.65676%0.757SS**  -138.5176.6-125.745.4-26.7000119.6
703Y25.3Very low31.2Very low212 Ų212137 Ų13783%0.83176%0.755SS**  -168.1173.8121.7-121.3-87.4000113.6
704Q25.5Very low31.3Very low179 Ų179132.5 Ų132.584%0.83675%0.749SS**  trans-98159-173.3-55160.3-6900113.5
705G24.2Very low30.6Very low82 Ų82134.4 Ų134.485%0.84575%0.752SS**  trans-176.7126.5169.800000115.5
706L25.2Very low29.2Very low178 Ų178134.5 Ų134.593%0.93276%0.756SS**  trans-71.1165.3-168.4-68.4153.7000117.6
707S25.4Very low29.3Very low103 Ų103129.2 Ų129.272%0.7274%0.744SS**  trans-71.2178.8164.459.50000112.7
708P45.8Very low29.2Very low100 Ų100134.6 Ų134.665%0.64976%0.758SS**  cis-152.7-158.740.241.1-15.3000118.1
709E27.1Very low29.2Very low172 Ų172134.4 Ų134.480%0.80476%0.757SS**  trans78.4141.4163-67.5167.4-168.800118.2
710E26.3Very low29.4Very low165 Ų165136.7 Ų136.777%0.77176%0.756SS**  cis-155.5152.9-7.1-134.1-172.1165.800114.2
711S28Very low30Very low91 Ų91135.1 Ų135.164%0.63676%0.756SS**  trans19172.5149.968.30000123.8
712V27.9Very low29.4Very low109 Ų109137.2 Ų137.266%0.66176%0.755SS**  cis-153.5152.522.9-168.90000113
713N24.7Very low28.4Very low138 Ų138139.4 Ų139.474%0.73876%0.76SS**  trans129.7113.3147.8-73-61.7000114.1
714V29.1Very low28.3Very low117 Ų117137.4 Ų137.471%0.70976%0.759SS**  78.6124.557.7168.50000111.3
715L29.3Very low28.3Very low154 Ų154137 Ų13781%0.80676%0.759SS**  cis-154.9-165.3-5-116178.9000107
716S25.9Very low29.4Very low103 Ų103138.1 Ų138.172%0.7275%0.751SS**  cis-169.9176.1-0.432.10000106.2
717A30Very low30.6Very low75 Ų75134.4 Ų134.462%0.6274%0.738SS**  cis-160.2153-28.100000105.9
718F25.9Very low30.6Very low189 Ų189134.5 Ų134.583%0.82974%0.738SS**  166.6165.794.1-89-83.9000107.1
719Q27.7Very low29.7Very low163 Ų163138.2 Ų138.276%0.76275%0.752SS**  cis-170.4127.2-47.4-177.4169.612.800108.2
720E28.4Very low29.6Very low162 Ų162133 Ų13376%0.75774%0.744SS**  trans-102.8154.3170-73.4-170.7133.500111.8
721P38Very low29.7Very low126 Ų126133.7 Ų133.782%0.81875%0.747SS**  trans-94.514116635.3-30.2000112.7
722H27.8Very low29.7Very low162 Ų162136.9 Ų136.975%0.7575%0.754SS**  trans-111.3-174.9-179.2-75.5-69.2000113
723L29.4Very low29.5Very low147 Ų147135.8 Ų135.877%0.7775%0.751SS**  trans87.1147.3161.9-48178.1000115.1
724Q22.8Very low29.7Very low171 Ų171136.6 Ų136.680%0.79976%0.755SS**  cis-155.8-179.15.2-131.7156.211.700112.4
725M25.8Very low29.4Very low170 Ų170135.2 Ų135.284%0.83775%0.751SS**  trans-129.1174.5178.7-82.3-85.5-77.800109.8
726P47.7Very low29.2Very low105 Ų105137.4 Ų137.468%0.68275%0.754SS**  cis-122.5-123.1-8.832.1-7.3000110
727P48.7Very low29.2Very low100 Ų100139.6 Ų139.665%0.64976%0.758SS**  cis-136.9167.6-35.436-16.4000118.5
728S25.7Very low29.4Very low105 Ų105142.6 Ų142.673%0.73476%0.759SS**  trans78.6155140.9700000124.5
729L27.1Very low29.8Very low179 Ų179139.5 Ų139.594%0.93776%0.757SS**  trans70.1139.1177.4-69.4151.1000117.5
730G25.9Very low29.7Very low62 Ų62138.7 Ų138.764%0.63975%0.753SS**  cis158.2134.7-12.700000114.4
731Q28.7Very low30.9Very low179 Ų179135.5 Ų135.584%0.83675%0.747SS**  trans68.2148.3-179.8-58.8-177.2-8.100114.7
732M26.8Very low30.4Very low158 Ų158138.7 Ų138.778%0.77875%0.751SS**  cis-165.2169.7-4.8-117.1-175.5-167.700108.1
733S24Very low30.4Very low87 Ų87134.2 Ų134.261%0.60875%0.749SS**  cis-160.7175.7-2.4-140.40000112.9
734L28.6Very low30.3Very low154 Ų154135.9 Ų135.981%0.80676%0.757SS**  trans-2.4148.9146.5-60.3176.8000120.3
735S22.6Very low30.6Very low89 Ų89135.6 Ų135.662%0.62276%0.76SS**  cis-164.1157.53.4-94.30000111.3
736F25.8Very low31.4Very low199 Ų199132.9 Ų132.987%0.87376%0.755SS**  -172.1161.5114.6-118-84.2000113.2
737D24.9Very low30.1Very low150 Ų150133.8 Ų133.880%0.80276%0.763SS**  trans-80157.3-161.8-76.2-63.1000117.9
738Q35Very low29Very low138 Ų138137.9 Ų137.965%0.64577%0.773SS**  trans-101161156.9-151.3-172.752.300108.5
739P33.9Very low29.7Very low123 Ų123137.8 Ų137.880%0.79977%0.77SS**  -142.2154.810832.4-16.5000116.5
740H27.1Very low29.6Very low146 Ų146136.9 Ų136.968%0.67676%0.761SS**  trans-99.6-158.1170-107.744.4000108.1
741P52.6Low29.6Very low96 Ų96141.1 Ų141.162%0.62376%0.764SS**  cis-137.1-162.3-25.321.64.9000113.6
742Q28.4Very low29.5Very low193 Ų193141.1 Ų141.190%0.90276%0.764SS**  trans88.6140.8150.6-47-174.6-0.200119.1
743G26.7Very low29.4Very low68 Ų68137.8 Ų137.870%0.70176%0.761SS**  cis167161.1-12.400000116.6
744L28.1Very low29.5Very low182 Ų182140 Ų14095%0.95377%0.771SS**  trans77.4162.2163.2-58.4172.1000120.4
745L29.4Very low29.2Very low164 Ų164137.8 Ų137.886%0.85977%0.768SS**  trans-114.3-173.7-170.3-60.4158.8000109.6
746P41.8Very low29.5Very low113 Ų113138.9 Ų138.973%0.73478%0.776SS**  cis-142.5-161.64.239-15.4000116.4
747C21.2Very low30Very low124 Ų124135.2 Ų135.284%0.83877%0.772SS**  trans91.9156.8156.4-68.30000122.2
748Q25.2Very low30Very low186 Ų186135.6 Ų135.687%0.86977%0.774SS**  trans-119.9-170.4-177.5-37.1168.4-62.400109.5
749P38.8Very low30.7Very low104 Ų104134.1 Ų134.168%0.67578%0.776SS**  cis-131.2-163.6-19.735.1-14000113
750Q26.1Very low30.2Very low159 Ų159135.9 Ų135.974%0.74378%0.778SS**  trans75.5144.5148.7-157.3161.612.700117.5
751E25.5Very low30.2Very low151 Ų151136.8 Ų136.871%0.70679%0.787SS**  cis-159.8-171.8-18.8-122170.7170.100112.1
752H27.3Very low28.9Very low180 Ų180138.5 Ų138.583%0.83380%0.8SS**  trans104.3108.7174.1-57.1-56.4000114
753A25Very low28.8Very low87 Ų87133.5 Ų133.572%0.71979%0.787SS**  65.712752.900000111.7
754V24.9Very low28.7Very low135 Ų135137.5 Ų137.582%0.81879%0.792SS**  cis-162.9154.648.5150.90000108.3
755S23.4Very low28.5Very low106 Ų106134.3 Ų134.374%0.74178%0.779SS**  cis-170.2178.6-19.5-80.60000108.8
756S28.7Very low28.2Very low112 Ų112132.4 Ų132.478%0.78378%0.775SS**  trans-90.9170.7172.257.50000113.4
757P35.2Very low27.4Very low123 Ų123134.5 Ų134.580%0.79978%0.777SS**  -149.1171.991.641.1-24.3000117.2
758D25.3Very low27.5Very low157 Ų157135.6 Ų135.684%0.8478%0.779SS**  trans-125-177.5169.4-99.4-41.8000108
759P49.7Very low27.5Very low107 Ų107134.6 Ų134.670%0.69578%0.775SS**  cis-133.3158.7-4938.1-23.6000112.3
760L24.5Very low26.7Very low160 Ų160137.4 Ų137.484%0.83878%0.784SS**  trans-148132.7169.3-78.7-178.1000115.9
761L26.3Very low26.5Very low166 Ų166135 Ų13587%0.86978%0.784SS**  trans45.4139.1140.9-62.8169.1000121.8
762C26.7Very low26.4Very low131 Ų131133.8 Ų133.889%0.88579%0.792SS**  trans-134.5136.9169.5-178.70000109.8
763S24.3Very low26.2Very low89 Ų89133.5 Ų133.562%0.62280%0.795SS**  trans-167.2127.3177.655.10000112.5
764D24.8Very low26.1Very low152 Ų152134.3 Ų134.381%0.81380%0.796SS**  trans66.1151.3136.5-59.1-19.8000120.2
765V25Very low26.1Very low114 Ų114136.5 Ų136.569%0.69180%0.797SS**  cis-162.9174.7-7.1116.80000111.1
766T23.1Very low26.4Very low124 Ų124136.7 Ų136.776%0.76180%0.796SS**  trans106.9125.9168.566.50000115.5
767M25.1Very low26Very low157 Ų157137.4 Ų137.477%0.77380%0.795SS**  cis76.8105.819-57.9-72.9-67.700117.6
768V23.4Very low25.5Very low147 Ų147143.2 Ų143.289%0.89180%0.801SS**  trans-149147.1145.1175.70000108
769E23.7Very low25.3Very low166 Ų166140.6 Ų140.678%0.77680%0.801SS**  trans-100.2169.7-178.9-58.6155113.800111.8
770D22.9Very low24.1Very low162 Ų162145.8 Ų145.887%0.86681%0.813SS**  -169.2176.8118.1-134.1-37.1000113.9
771S22.9Very low24Very low108 Ų108143.6 Ų143.676%0.75581%0.811SS**  trans-116.3170.4-155.3-62.20000117.6
772C22.4Very low23.9Very low127 Ų127144.6 Ų144.686%0.85881%0.812SS**  trans-30.1149.1177.5-530000120.2
773L23.6Very low23.7Very low174 Ų174141.9 Ų141.991%0.91181%0.805SS**  trans-150.8161.3138.5-108.5175.6000113.5
774S23.2Very low23.6Very low104 Ų104144 Ų14473%0.72782%0.815SS**  trans-57150.5-161.649.30000122.2
775Q24Very low23.7Very low181 Ų181148.7 Ų148.785%0.84682%0.821SS**  trans-29.3163.7150.7-92.5-174.39.100117.7
776P29.6Very low23.7Very low110 Ų110150.4 Ų150.471%0.71483%0.825SS**  -158.9-178.65046.3-24.5000121.6
777V21.5Very low23.8Very low126 Ų126147.3 Ų147.376%0.76482%0.818SS**  trans77114.2159.1-1710000121.9
778R23.7Very low24.2Very low245 Ų245147.5 Ų147.593%0.92582%0.817SS**  trans20.9118.9147.7-62.7178174167.7-2.6121.4
779A21.5Very low24.5Very low102 Ų102148.5 Ų148.584%0.84382%0.817SS**  -150.9161.1127.600000109.8
780F24.8Very low24.8Very low217 Ų217146.1 Ų146.195%0.95281%0.809SS**  trans-91.7138.3171.6-94.9-96.7000110.4
781S21.1Very low25.4Very low113 Ų113145.5 Ų145.579%0.7980%0.799SS**  trans-150.6158.6164.9560000111.2
782Q23.8Very low25.8Very low188 Ų188145 Ų14588%0.87979%0.792SS**PPolyproline II helixtrans-58.5142.9-167.5-69143-68.500114.4
783G22.8Very low26.4Very low73 Ų73143.7 Ų143.775%0.75378%0.782SS**PPolyproline II helixtrans-71.7129.1166.100000111.2
784T23.6Very low27.2Very low135 Ų135138.5 Ų138.583%0.82876%0.755SS**PPolyproline II helixtrans-75.8132.4-177-39.90000111.6
785W27.1Very low27.7Very low249 Ų249138.4 Ų138.494%0.94375%0.746SS**PPolyproline II helixtrans-70.1130.3167.5-67.588.1000110
786I24.9Very low28.6Very low150 Ų150131.5 Ų131.577%0.76972%0.717SS**PPolyproline II helixtrans-83.4134.4173.8-63.8174.6000108.1
787G24.9Very low29.4Very low59 Ų59127 Ų12761%0.60869%0.687SS**PPolyproline II helixtrans-66.4161.4-168.300000115.9D789G787-D789 PolarHBondContact O-N 2.92Å
788E33.8Very low30.6Very low161 Ų161123.8 Ų123.875%0.75267%0.669SS**SBendtrans-80-10-164.3-59.4-174.298.800115.5V43 I790V43-E788 WeakPolarHBondContact CG1-OE1 3.37Å; E788-I790 VanDerWaalsContact C-N 3.26Å; E788-I790 PolarHBondContact O-N 2.84Å
789D29.3Very low31.6Very low169 Ų169113.5 Ų113.590%0.90463%0.631SS**  trans-82.737.3-171.1-73.3-53.7000115.4G787G787-D789 PolarHBondContact O-N 2.92Å
790I28.7Very low32.9Very low116 Ų116113.5 Ų113.560%0.59561%0.613SS**  trans-114.5120.1172-54.2-177.1000110.3E788E788-I790 VanDerWaalsContact C-N 3.26Å; E788-I790 PolarHBondContact O-N 2.84Å
791F36.2Very low34Very low149 Ų149104.6 Ų104.665%0.65458%0.576SS**SBendtrans93.2137.1-177-55.4-61.8000115.9K108K108-F791 HydrophobicContact CD-CZ 4.32Å
792P30.6Very low35.3Very low96 Ų96100.1 Ų100.162%0.62354%0.543SS*.  trans-66.4145-177.727.8-35.1000111.3L794P792-L794 PolarHBondContact O-N 2.78Å
793P36.7Very low36.3Very low100 Ų10091.9 Ų91.965%0.64951%0.506SS*.  trans-59.5135.3175.326.6-34.8000109.3L795P793-L795 PolarHBondContact O-N 3.49Å
794L39.6Very low37.4Very low66 Ų6692 Ų9235%0.34649%0.485SS..  trans-36.399.1-177.7-79.4171.1000111.9F41 Q125 P792F41-L794 HydrophobicContact CE1-CD1 3.91Å; F41-L794 HydrophobicContact CZ-CD1 3.8Å; Q125-L794 HydrophobicContact CB-CD1 4.11Å; P792-L794 PolarHBondContact O-N 2.78Å
795L34.3Very low38.4Very low102 Ų10287.3 Ų87.353%0.53446%0.455SS..PPolyproline II helixtrans-69148.5179.3-67.6178.7000108.2P793P793-L795 PolarHBondContact O-N 3.49Å
796P41.7Very low39.2Very low35 Ų3577.2 Ų77.223%0.22742%0.419CS..PPolyproline II helixtrans-55.1152.4160.831.9-37.4000107.9I203 T798I203-P796 HydrophobicContact CD1-CB 3.93Å; P796-T798 PolarHBondContact O-N 2.93Å; P796-T798 VanDerWaalsContact O-N 3.15Å
797P46.3Very low39.9Very low15 Ų1572.2 Ų72.210%0.09739%0.394CS..PPolyproline II helixtrans-50128.7169.725.6-35.9000108.6M119 D801 L802M119-P797 HydrophobicContact CE-CB 3.54Å; M119-P797 HydrophobicContact CE-CG 4.17Å; M119-P797 HydrophobicContact SD-CB 3.56Å; M119-P797 VanDerWaalsContact SD-CB 3.56Å; M119-P797 HydrophobicContact SD-CG 3.56Å; M119-P797 VanDerWaalsContact SD-CG 3.56Å; P797-D801 HydrophobicContact CB-CB 3.82Å; P797-L802 HydrophobicContact CB-CD2 4.24Å; P797-L802 HydrophobicContact CB-CG 4.1Å; P797-L802 HydrophobicContact CG-CD2 3.85Å; P797-L802 HydrophobicContact CG-CG 4.06Å
798T46.3Very low40.6Very low60 Ų6073.4 Ų73.437%0.36838%0.384SS..PPolyproline II helixtrans-63.4168.4178.465.70000109.8P796 Q800 D801 L802P796-T798 PolarHBondContact O-N 2.93Å; P796-T798 VanDerWaalsContact O-N 3.15Å; T798-Q800 PolarHBondContact O-N 3.05Å; T798-Q800 PolarHBondContact OG1-N 3.28Å; T798-D801 VanDerWaalsContact CB-OD2 3.29Å; T798-D801 WeakPolarHBondContact CB-OD2 3.27Å; T798-D801 WeakPolarHBondContact CG2-OD2 3.28Å; T798-D801 PolarHBondContact N-OD2 3.42Å; T798-D801 PolarHBondContact O-N 3.27Å; T798-D801 VanDerWaalsContact O-N 3.14Å; T798-D801 VanDerWaalsContact OG1-CG 3.24Å; T798-D801 PolarHBondContact OG1-N 3.49Å; T798-D801 VanDerWaalsContact OG1-N 3.07Å; T798-D801 PolarHBondContact OG1-OD2 3.49Å; T798-L802 WeakPolarHBondContact O-CG 3.15Å; T798-L802 PolarHBondContact O-N 3.48Å
799E46.4Very low40.8Very low28 Ų2868.9 Ų68.913%0.13138%0.38CS..Hα-helixtrans-56.8-32.2171.8-65.3-141.7132.500113.1R206 K450 T803R206-E799 IonicContact CZ-OE1 2.72Å; R206-E799 IonicContact NE-OE1 2.66Å; R206-E799 PolarHBondContact NE-OE1 3.21Å; R206-E799 IonicContact NH2-OE1 3.45Å; R206-E799 PolarHBondContact NH2-OE1 3.17Å; R206-E799 IonicContact NH2-OE2 2.76Å; K450-E799 IonicContact NZ-OE2 3.23Å; K450-E799 PolarHBondContact NZ-OE2 3.13Å; E799-T803 VanDerWaalsContact O-CB 3.29Å; E799-T803 WeakPolarHBondContact O-CB 3.38Å; E799-T803 PolarHBondContact O-N 3.49Å; E799-T803 PolarHBondContact O-OG1 2.85Å
800Q48.3Very low41.2Very low102 Ų10267.5 Ų67.548%0.47737%0.368SS..Hα-helixtrans-71.8-44.2176.1-73.6171.5-52.200110.7E449 T798 L802 T803 K804E449-Q800 PolarHBondContact OE1-NE2 3.15Å; E449-Q800 VanDerWaalsContact OE1-NE2 3.14Å; T798-Q800 PolarHBondContact O-N 3.05Å; T798-Q800 PolarHBondContact OG1-N 3.28Å; Q800-L802 VanDerWaalsContact C-N 3.34Å; Q800-L802 PolarHBondContact O-N 2.97Å; Q800-T803 PolarHBondContact O-N 3.33Å; Q800-K804 WeakPolarHBondContact O-CB 3.34Å; Q800-K804 PolarHBondContact O-N 3.1Å
801D47Very low41.4Very low30 Ų3064.9 Ų64.916%0.1637%0.37CS..Hα-helixtrans-60.3-43.7174.5-59.7-59.4000111.6M119 P797 T798 L805M119-D801 VanDerWaalsContact CE-C 3.49Å; M119-D801 HydrophobicContact CE-CB 4.13Å; M119-D801 WeakPolarHBondContact CE-O 3.48Å; P797-D801 HydrophobicContact CB-CB 3.82Å; T798-D801 VanDerWaalsContact CB-OD2 3.29Å; T798-D801 WeakPolarHBondContact CB-OD2 3.27Å; T798-D801 WeakPolarHBondContact CG2-OD2 3.28Å; T798-D801 PolarHBondContact N-OD2 3.42Å; T798-D801 PolarHBondContact O-N 3.27Å; T798-D801 VanDerWaalsContact O-N 3.14Å; T798-D801 VanDerWaalsContact OG1-CG 3.24Å; T798-D801 PolarHBondContact OG1-N 3.49Å; T798-D801 VanDerWaalsContact OG1-N 3.07Å; T798-D801 PolarHBondContact OG1-OD2 3.49Å; D801-L805 WeakPolarHBondContact O-CB 3.29Å; D801-L805 WeakPolarHBondContact O-CD1 3.45Å; D801-L805 PolarHBondContact O-N 2.85Å
802L48.2Very low41Very low20 Ų2065 Ų6511%0.10537%0.372CS..Hα-helixtrans-59.2-62.2174.9-74169.8000110.2M119 P797 T798 Q800 K804 L805 L806M119-L802 HydrophobicContact CE-CD2 3.94Å; M119-L802 HydrophobicContact CE-CG 4.37Å; M119-L802 HydrophobicContact SD-CD2 3.93Å; P797-L802 HydrophobicContact CB-CD2 4.24Å; P797-L802 HydrophobicContact CB-CG 4.1Å; P797-L802 HydrophobicContact CG-CD2 3.85Å; P797-L802 HydrophobicContact CG-CG 4.06Å; T798-L802 WeakPolarHBondContact O-CG 3.15Å; T798-L802 PolarHBondContact O-N 3.48Å; Q800-L802 VanDerWaalsContact C-N 3.34Å; Q800-L802 PolarHBondContact O-N 2.97Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 3.13Å; L802-L805 PolarHBondContact O-N 2.84Å; L802-L806 WeakPolarHBondContact O-CG 3.47Å; L802-L806 PolarHBondContact O-N 3.42Å; L802-L806 VanDerWaalsContact O-N 3.09Å
803T46.3Very low40.8Very low15 Ų1566.4 Ų66.49%0.09238%0.384CS..Hα-helixtrans-61.7-40.3-170.7-49.60000112.3E453 E799 Q800 L806E453-T803 HydrophobicContact CB-CG2 3.77Å; E453-T803 HydrophobicContact CG-CG2 4.42Å; E453-T803 VanDerWaalsContact OE2-CG2 3.26Å; E453-T803 WeakPolarHBondContact OE2-CG2 3.49Å; E799-T803 VanDerWaalsContact O-CB 3.29Å; E799-T803 WeakPolarHBondContact O-CB 3.38Å; E799-T803 PolarHBondContact O-N 3.49Å; E799-T803 PolarHBondContact O-OG1 2.85Å; Q800-T803 PolarHBondContact O-N 3.33Å; T803-L806 PolarHBondContact O-N 3.17Å
804K46.2Very low40.2Very low74 Ų7465.2 Ų65.232%0.32239%0.39SS..Hα-helixtrans-64.7-43.5178-170.2-176.6-179.4-135.60112.5Q800 L802 L806 L807 E808Q800-K804 WeakPolarHBondContact O-CB 3.34Å; Q800-K804 PolarHBondContact O-N 3.1Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 3.13Å; K804-L806 VanDerWaalsContact C-N 3.34Å; K804-L806 PolarHBondContact O-N 3.3Å; K804-L807 WeakPolarHBondContact O-CB 3.47Å; K804-L807 PolarHBondContact O-N 2.84Å; K804-E808 WeakPolarHBondContact CE-OE1 3.37Å; K804-E808 IonicContact NZ-OE1 2.73Å; K804-E808 PolarHBondContact NZ-OE1 2.91Å; K804-E808 PolarHBondContact O-N 2.76Å; K804-E808 VanDerWaalsContact O-N 3.16Å
805L43.5Very low39.7Very low37 Ų3766.5 Ų66.519%0.19442%0.419CS..Hα-helixtrans-78.3-14.4-178.8-77.7149.8000113.7M119 D801 L802 L807 E808 G809M119-L805 HydrophobicContact CB-CB 4.23Å; M119-L805 HydrophobicContact CB-CD1 4.02Å; M119-L805 HydrophobicContact CE-CB 4.12Å; M119-L805 HydrophobicContact CE-CD1 3.85Å; D801-L805 WeakPolarHBondContact O-CB 3.29Å; D801-L805 WeakPolarHBondContact O-CD1 3.45Å; D801-L805 PolarHBondContact O-N 2.85Å; L802-L805 PolarHBondContact O-N 2.84Å; L805-L807 PolarHBondContact O-N 3.24Å; L805-E808 HydrophobicContact CD2-CB 4.27Å; L805-E808 WeakPolarHBondContact CD2-OE2 3.3Å; L805-G809 PolarHBondContact O-N 2.57Å
806L43.6Very low39.2Very low37 Ų3765 Ų6519%0.19443%0.428CS..Hα-helixtrans-63.7-23.1163-60.3177.5000112.4A215 P216 L457 L802 T803 K804A215-L806 HydrophobicContact CB-CD1 3.62Å; A215-L806 HydrophobicContact CB-CD2 4.17Å; A215-L806 HydrophobicContact CB-CG 4.49Å; P216-L806 HydrophobicContact CG-CD2 3.78Å; L457-L806 HydrophobicContact CD2-CD1 4.22Å; L802-L806 WeakPolarHBondContact O-CG 3.47Å; L802-L806 PolarHBondContact O-N 3.42Å; L802-L806 VanDerWaalsContact O-N 3.09Å; T803-L806 PolarHBondContact O-N 3.17Å; K804-L806 VanDerWaalsContact C-N 3.34Å; K804-L806 PolarHBondContact O-N 3.3Å
807L41Very low38.5Very low46 Ų4669.2 Ų69.224%0.24146%0.459CS..Hα-helixtrans-97.7-37.9-179.3-57.8178.1000112.8E453 L457 M460 K804 L805 G809E453-L807 HydrophobicContact CB-CD1 3.84Å; E453-L807 HydrophobicContact CG-CD1 3.74Å; L457-L807 HydrophobicContact CB-CD2 4.45Å; L457-L807 HydrophobicContact CD1-CD2 4.41Å; M460-L807 HydrophobicContact CE-CD2 3.68Å; K804-L807 WeakPolarHBondContact O-CB 3.47Å; K804-L807 PolarHBondContact O-N 2.84Å; L805-L807 PolarHBondContact O-N 3.24Å; L807-G809 VanDerWaalsContact C-N 3.25Å; L807-G809 PolarHBondContact O-N 2.92Å
808E39Very low37.5Very low84 Ų8476.7 Ų76.739%0.39350%0.497SS..Hα-helixtrans-70.8-19.4179.2-68.4176.4171.100112.9H116 K804 L805 Q810 G811H116-E808 IonicContact NE2-OE2 2.77Å; K804-E808 WeakPolarHBondContact CE-OE1 3.37Å; K804-E808 IonicContact NZ-OE1 2.73Å; K804-E808 PolarHBondContact NZ-OE1 2.91Å; K804-E808 PolarHBondContact O-N 2.76Å; K804-E808 VanDerWaalsContact O-N 3.16Å; L805-E808 HydrophobicContact CD2-CB 4.27Å; L805-E808 WeakPolarHBondContact CD2-OE2 3.3Å; E808-Q810 PolarHBondContact O-N 3.06Å; E808-G811 PolarHBondContact O-N 2.86Å
809G36.9Very low36.5Very low65 Ų6577.5 Ų77.567%0.6752%0.517SS*.THydrogen-bonded Turntrans-64.77.1-176.500000118L805 L807L805-G809 PolarHBondContact O-N 2.57Å; L807-G809 VanDerWaalsContact C-N 3.25Å; L807-G809 PolarHBondContact O-N 2.92Å
810Q39.7Very low35.5Very low141 Ų14181.2 Ų81.266%0.65955%0.553SS**THydrogen-bonded Turntrans-128.913.1178.3-63.3-166.6-100114.5N466 E808N466-Q810 VanDerWaalsContact CB-OE1 3.27Å; E808-Q810 PolarHBondContact O-N 3.06Å
811G31.3Very low34.4Very low61 Ų6185.4 Ų85.463%0.62957%0.572SS**  trans-123.761.7-172.500000116.5E808E808-G811 PolarHBondContact O-N 2.86Å
812E27.8Very low33.5Very low152 Ų15289.8 Ų89.871%0.7160%0.602SS**  trans-179.393.9153.2-108.7175.1-147.100110.7K9K9-E812 IonicContact NZ-OE2 3.49Å; K9-E812 PolarHBondContact NZ-OE2 2.8Å
813S26Very low32.4Very low124 Ų12497.2 Ų97.287%0.86764%0.641SS**  trans-99.497.115763.90000108.1G815S813-G815 PolarHBondContact O-N 3.47Å
814G25.8Very low31.3Very low75 Ų75104.5 Ų104.577%0.77368%0.679SS**  trans-59.6131.1-177.900000112.1G816G814-G816 PolarHBondContact O-N 3.36Å; G814-G816 VanDerWaalsContact O-N 3.12Å
815G27.8Very low30.3Very low93 Ų93109.9 Ų109.996%0.95971%0.705SS**  trans-72.6100.9175.900000111.3S813S813-G815 PolarHBondContact O-N 3.47Å
816G23.9Very low29.5Very low70 Ų70114 Ų11472%0.72273%0.734SS**  trans-120.3120.6172.300000110.7G814 L818G814-G816 PolarHBondContact O-N 3.36Å; G814-G816 VanDerWaalsContact O-N 3.12Å; G816-L818 PolarHBondContact O-N 3.25Å
817S26.5Very low28.5Very low125 Ų125118 Ų11887%0.87477%0.765SS**  trans-81.9115.8176.8-172.30000110.3
818L26.5Very low27.7Very low171 Ų171124 Ų12490%0.89579%0.792SS**  trans-130.3146.1166.7-76.7173000109.7G816G816-L818 PolarHBondContact O-N 3.25Å
819G24.1Very low27Very low77 Ų77131.1 Ų131.179%0.79482%0.816SS**  trans-74.5160.7-162.500000115.5
820A26.3Very low26.4Very low106 Ų106131.4 Ų131.488%0.87682%0.819SS**  trans-74.9134.8179.300000112.8
821Q24.8Very low25.8Very low191 Ų191134.4 Ų134.489%0.89383%0.833SS**  trans-135.2156.6157.6-83-157.6-12.600110.1
822P28.1Very low25.5Very low121 Ų121137.3 Ų137.379%0.78684%0.844SS**PPolyproline II helixtrans-86.5157.3-152.232.6-36.7000115.5
823L24.5Very low25.3Very low176 Ų176133.4 Ų133.492%0.92185%0.845SS**PPolyproline II helixtrans-66.9125.8173.7-70.7160.7000111.6
824L24.9Very low25.3Very low169 Ų169135.9 Ų135.989%0.88585%0.846SS**PPolyproline II helixtrans-83136.3165.9-82.9163.7000110.7
825Q23.5Very low25.1Very low186 Ų186137.2 Ų137.287%0.86984%0.844SS**PPolyproline II helixtrans-82.3143.2176.7-63.9177.1-51.800111.6
826P27.6Very low25Very low124 Ų124141.8 Ų141.881%0.80584%0.842SS**PPolyproline II helixtrans-80.3131.1162.732.1-31.2000110.8
827S22.9Very low25Very low121 Ų121143.2 Ų143.285%0.84684%0.841SS**PPolyproline II helixtrans-90.7160.7178.650.70000113.6
828H23.4Very low25Very low172 Ų172146.4 Ų146.480%0.79684%0.842SS**  trans-86.7175-167.3-81.8-94.7000116.6
829Y24.9Very low24.9Very low233 Ų233146.3 Ų146.391%0.91484%0.839SS**  trans90137.5170.6-66.4-88.6000116.7
830G24.8Very low24.9Very low71 Ų71148.8 Ų148.873%0.73283%0.834SS**  cis-147172.84.100000113.9
831Q25.9Very low24.9Very low204 Ų204152.4 Ų152.495%0.95384%0.838SS**  trans-109.6143.8-166.5-60.9172.5-67.800115.4
832S26Very low24.8Very low122 Ų122153.5 Ų153.585%0.85383%0.834SS**  trans-152.7127.3135.149.80000106.4
833G23.6Very low24.8Very low70 Ų70152.4 Ų152.472%0.72284%0.835SS**  90.790.357.600000107.1
834I25.3Very low24.7Very low176 Ų176151.2 Ų151.290%0.90383%0.83SS**  -148.815781.6-81.8152.2000111.7
835S22.4Very low25Very low104 Ų104148.9 Ų148.973%0.72783%0.825SS**  trans-73.7142.4-177.1-173.40000114.5
836M24.4Very low25Very low188 Ų188145.1 Ų145.193%0.92682%0.819SS**  trans-128.5118.8158.4-83.9-78.6-83.400107.6
837S24.5Very low25Very low100 Ų100153.8 Ų153.870%0.69984%0.836SS**  trans-76.8141-171.7530000113.1M839S837-M839 PolarHBondContact O-N 3.16Å
838H26.2Very low25.1Very low192 Ų192155.5 Ų155.589%0.88984%0.835SS**  trans-48.8134.1162.8-120.7-107.9000110.8
839M25.5Very low25.2Very low170 Ų170154.6 Ų154.684%0.83784%0.837SS**  trans-121.7142.1164.7-81.1-155.172.900110.3S837S837-M839 PolarHBondContact O-N 3.16Å
840D23.5Very low25.2Very low128 Ų128150.2 Ų150.268%0.68483%0.833SS**  trans-65.6129.4-171.9-78-46.9000113.8R842D840-R842 HydrophobicContact CB-CG 4.15Å; D840-R842 PolarHBondContact O-N 3.5Å
841L25.6Very low25.2Very low183 Ų183154.9 Ų154.996%0.95884%0.839SS**  trans-79.766.6158.6-75.2171.5000110.5A843L841-A843 PolarHBondContact O-N 3.09Å
842R23.7Very low25.2Very low214 Ų214151.8 Ų151.881%0.80883%0.832SS**  trans-77.4112.4164.7-77.4-173.2-171.4-1511.6109.5D840 N844D840-R842 HydrophobicContact CB-CG 4.15Å; D840-R842 PolarHBondContact O-N 3.5Å; R842-N844 PolarHBondContact O-N 3.26Å
843A28Very low25.1Very low98 Ų98153.8 Ų153.881%0.8183%0.83SS**  trans-62.9128.5166.700000109.7L841L841-A843 PolarHBondContact O-N 3.09Å
844N22.2Very low25.3Very low151 Ų151159.8 Ų159.881%0.80784%0.838SS**  trans-100.5117.2176.7-159.712.1000108.9R842 S846R842-N844 PolarHBondContact O-N 3.26Å; N844-S846 PolarHBondContact O-N 3.28Å
845P30.5Very low25.3Very low120 Ų120158.5 Ų158.578%0.77983%0.833SS**  trans-87.5104.2-170.732.5-33.1000112.2
846S23.8Very low25.5Very low107 Ų107163.1 Ų163.175%0.74884%0.842SS**  trans-145.693.2164.260.20000110N844N844-S846 PolarHBondContact O-N 3.28Å
847W28Very low25.6Very low306 Ų306160.8 Ų160.8100%1.15984%0.835SS**  trans-118.90167.5-8291.1000108.1

Retrieved 847 of 847 residues in 225.7 ms (Link to these results)

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