A0A077Z3E8_TRITR Loading...

N-terminal amino-acid N(alpha)-acetyltransferase NatA

AlphaFold DB , UniProt , Accession A0A077Z3E8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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
1M80.2Confident91.6Very high89 Ų8965.7 Ų65.744%0.43834%0.335SS..  0-51.50-68.3-173.9-176.600114N3 T4 Q5 M18 Y21 F22M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.36Å; M1-T4 VanDerWaalsContact O-CB 3.24Å; M1-T4 WeakPolarHBondContact O-CB 3.44Å; M1-T4 PolarHBondContact O-N 2.98Å; M1-T4 PolarHBondContact O-OG1 3.15Å; M1-Q5 PolarHBondContact O-N 2.95Å; M1-M18 HydrophobicContact CB-SD 4.49Å; M1-Y21 WeakPolarHBondContact CE-O 3.49Å; M1-F22 HydrophobicContact CE-CD1 4.39Å; M1-F22 HydrophobicContact SD-CB 4.45Å; M1-F22 HydrophobicContact SD-CD1 3.25Å; M1-F22 WeakPolarHBondContact SD-CD1 3.47Å; M1-F22 HydrophobicContact SD-CE1 3.72Å; M1-F22 HydrophobicContact SD-CG 4.11Å
2M79.7Confident91.8Very high134 Ų13463.9 Ų63.966%0.6633%0.327SS*.Hα-helixtrans-54-44.8179.2-72.7-174.8177.500113.6T4 Q5 H6 M18M2-T4 VanDerWaalsContact C-N 3.27Å; M2-T4 PolarHBondContact O-N 3.18Å; M2-Q5 PolarHBondContact O-N 2.96Å; M2-H6 PolarHBondContact O-N 2.89Å; M2-H6 VanDerWaalsContact O-N 3.12Å; M2-M18 HydrophobicContact CB-CE 4.33Å; M2-M18 HydrophobicContact CG-CE 3.83Å; M2-M18 HydrophobicContact CG-SD 4.4Å
3N92Very high91.9Very high101 Ų10165.9 Ų65.954%0.5435%0.346SS..Hα-helixtrans-64.7-29.4177.7-67.1-18.2000113.3M1 H6 C7 I42M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.36Å; N3-H6 PolarHBondContact O-N 3.33Å; N3-C7 PolarHBondContact O-N 3.01Å; N3-I42 HydrophobicContact CB-CB 4.47Å; N3-I42 HydrophobicContact CB-CD1 3.53Å; N3-I42 HydrophobicContact CB-CG1 4.02Å
4T93.7Very high91.9Very high14 Ų1464.9 Ų64.99%0.08634%0.339CS..Hα-helixtrans-66.7-46.1175.8-46.70000110.4M1 M2 H6 C7 N8 Y21 Y45M1-T4 VanDerWaalsContact O-CB 3.24Å; M1-T4 WeakPolarHBondContact O-CB 3.44Å; M1-T4 PolarHBondContact O-N 2.98Å; M1-T4 PolarHBondContact O-OG1 3.15Å; M2-T4 VanDerWaalsContact C-N 3.27Å; M2-T4 PolarHBondContact O-N 3.18Å; T4-H6 VanDerWaalsContact C-N 3.33Å; T4-H6 PolarHBondContact O-N 3.48Å; T4-C7 WeakPolarHBondContact O-CB 3.44Å; T4-C7 PolarHBondContact O-N 3.04Å; T4-C7 VanDerWaalsContact O-N 3.13Å; T4-N8 PolarHBondContact O-N 2.66Å; T4-Y21 HydrophobicContact CG2-CD1 4.26Å; T4-Y21 HydrophobicContact CG2-CE1 3.97Å; T4-Y45 HydrophobicContact CG2-CD1 3.88Å; T4-Y45 HydrophobicContact CG2-CD2 3.36Å; T4-Y45 HydrophobicContact CG2-CE1 4.3Å; T4-Y45 HydrophobicContact CG2-CE2 3.86Å; T4-Y45 HydrophobicContact CG2-CG 3.4Å
5Q94.1Very high92.1Very high47 Ų4765.5 Ų65.522%0.2234%0.343CS..Hα-helixtrans-61-42.8175.5-172.1-169.346.900111.4M1 M2 C7 N8 L9 Y16 M18 Y21M1-Q5 PolarHBondContact O-N 2.95Å; M2-Q5 PolarHBondContact O-N 2.96Å; Q5-C7 VanDerWaalsContact C-N 3.28Å; Q5-C7 PolarHBondContact O-N 3.31Å; Q5-N8 WeakPolarHBondContact O-CB 3.28Å; Q5-N8 PolarHBondContact O-N 2.83Å; Q5-N8 VanDerWaalsContact O-N 3.17Å; Q5-L9 HydrophobicContact CG-CD1 4.18Å; Q5-L9 PolarHBondContact O-N 3.48Å; Q5-Y16 PolarHBondContact NE2-O 3.47Å; Q5-M18 HydrophobicContact CB-CE 4.04Å; Q5-M18 HydrophobicContact CG-CE 4.42Å; Q5-Y21 HydrophobicContact CB-CD2 4.34Å; Q5-Y21 HydrophobicContact CB-CE1 4.38Å; Q5-Y21 HydrophobicContact CB-CE2 3.84Å; Q5-Y21 HydrophobicContact CG-CD2 4.46Å; Q5-Y21 HydrophobicContact CG-CE2 3.71Å
6H94.1Very high92.3Very high105 Ų10565.8 Ų65.849%0.48634%0.338SS..Hα-helixtrans-59.7-39.7175.2-178.771.1000112.1M2 N3 T4 L10M2-H6 PolarHBondContact O-N 2.89Å; M2-H6 VanDerWaalsContact O-N 3.12Å; N3-H6 PolarHBondContact O-N 3.33Å; T4-H6 VanDerWaalsContact C-N 3.33Å; T4-H6 PolarHBondContact O-N 3.48Å; H6-L10 WeakPolarHBondContact NE2-CD1 3.32Å; H6-L10 WeakPolarHBondContact O-CG 3.34Å; H6-L10 PolarHBondContact O-N 2.86Å
7C94.7Very high92.5Very high0 Ų069.5 Ų69.50%035%0.354CS..Hα-helixtrans-66.4-38.8174.9-167.50000112.8N3 T4 Q5 L10 C11 I42 Y45N3-C7 PolarHBondContact O-N 3.01Å; T4-C7 WeakPolarHBondContact O-CB 3.44Å; T4-C7 PolarHBondContact O-N 3.04Å; T4-C7 VanDerWaalsContact O-N 3.13Å; Q5-C7 VanDerWaalsContact C-N 3.28Å; Q5-C7 PolarHBondContact O-N 3.31Å; C7-L10 PolarHBondContact O-N 2.89Å; C7-C11 WeakPolarHBondContact O-CB 3.42Å; C7-C11 PolarHBondContact O-N 3.44Å; C7-C11 PolarHBondContact O-SG 3.39Å; C7-I42 HydrophobicContact CB-CG2 4.2Å; C7-Y45 HydrophobicContact CB-CD1 3.92Å; C7-Y45 HydrophobicContact CB-CE1 4.02Å
8N96Very high92.7Very high0 Ų067.9 Ų67.90%035%0.345CS..Hα-helixtrans-59-53.1175.5173.3-113.3000111.1T4 Q5 L10 C11 L12 E14 N15 Y21 Y45T4-N8 PolarHBondContact O-N 2.66Å; Q5-N8 WeakPolarHBondContact O-CB 3.28Å; Q5-N8 PolarHBondContact O-N 2.83Å; Q5-N8 VanDerWaalsContact O-N 3.17Å; N8-L10 PolarHBondContact O-N 2.84Å; N8-L10 VanDerWaalsContact O-N 3.13Å; N8-C11 PolarHBondContact O-N 3.33Å; N8-L12 PolarHBondContact O-N 3.03Å; N8-E14 PolarHBondContact ND2-O 3.41Å; N8-E14 PolarHBondContact OD1-O 3.28Å; N8-N15 WeakPolarHBondContact OD1-CA 3.5Å; N8-N15 PolarHBondContact OD1-OD1 3.4Å; N8-Y21 WeakPolarHBondContact CB-OH 3.27Å; N8-Y21 PolarHBondContact OD1-OH 3.03Å; N8-Y21 VanDerWaalsContact OD1-OH 3.05Å; N8-Y45 HydrophobicContact CB-CE1 4.11Å; N8-Y45 WeakPolarHBondContact CB-OH 3.39Å; N8-Y45 PolarHBondContact ND2-OH 3.28Å
9L95.2Very high92.9Very high98 Ų9872.3 Ų72.351%0.51336%0.362SS..Hα-helixtrans-55.9-31.8179.1-74.8161.6000113.7Q5 N15Q5-L9 HydrophobicContact CG-CD1 4.18Å; Q5-L9 PolarHBondContact O-N 3.48Å; L9-N15 VanDerWaalsContact CA-OD1 3.29Å; L9-N15 WeakPolarHBondContact CA-OD1 3.22Å; L9-N15 HydrophobicContact CD2-CB 4.28Å; L9-N15 WeakPolarHBondContact CD2-OD1 3.3Å; L9-N15 WeakPolarHBondContact CG-OD1 3.44Å
10L94Very high93.1Very high109 Ų10972.7 Ų72.757%0.57136%0.359SS*.Hα-helixtrans-81.9-18.6178-69.9175.8000114H6 C7 N8H6-L10 WeakPolarHBondContact NE2-CD1 3.32Å; H6-L10 WeakPolarHBondContact O-CG 3.34Å; H6-L10 PolarHBondContact O-N 2.86Å; C7-L10 PolarHBondContact O-N 2.89Å; N8-L10 PolarHBondContact O-N 2.84Å; N8-L10 VanDerWaalsContact O-N 3.13Å
11C93.4Very high93.2Very high26 Ų2669.3 Ų69.318%0.17634%0.343CS..Hα-helixtrans-117.5-26.9-166.9-64.80000114.5C7 N8 A66C7-C11 WeakPolarHBondContact O-CB 3.42Å; C7-C11 PolarHBondContact O-N 3.44Å; C7-C11 PolarHBondContact O-SG 3.39Å; N8-C11 PolarHBondContact O-N 3.33Å; C11-A66 HydrophobicContact CB-CB 3.69Å
12L94.5Very high94Very high44 Ų4469.6 Ų69.623%0.2334%0.342CS..  trans-135.3146.7-169.3-63.3176.1000112.1N8 N15 S64 A66N8-L12 PolarHBondContact O-N 3.03Å; L12-N15 PolarHBondContact O-ND2 3.21Å; L12-S64 VanDerWaalsContact CD1-OG 3.32Å; L12-S64 WeakPolarHBondContact CD1-OG 3.32Å; L12-A66 HydrophobicContact CD1-CB 4.04Å; L12-A66 HydrophobicContact CG-CB 4.21Å
13P92.6Very high94.8Very high90 Ų9067.4 Ų67.458%0.58433%0.327SS*.SBendtrans-75.4-29.1171.624.4-22.8000112.7N15P13-N15 PolarHBondContact O-N 3.04Å; P13-N15 PolarHBondContact O-ND2 3.32Å
14E92.6Very high95.1Very high52 Ų5262.6 Ų62.624%0.24330%0.301CS..  trans-78.6110.7176-65.469.8-140.800111N8 R102 Y128N8-E14 PolarHBondContact ND2-O 3.41Å; N8-E14 PolarHBondContact OD1-O 3.28Å; E14-R102 IonicContact OE1-CZ 3.08Å; E14-R102 VanDerWaalsContact OE1-CZ 3.3Å; E14-R102 IonicContact OE1-NE 3.54Å; E14-R102 PolarHBondContact OE1-NE 3.1Å; E14-R102 VanDerWaalsContact OE1-NE 3.08Å; E14-R102 IonicContact OE1-NH2 2.74Å; E14-R102 PolarHBondContact OE1-NH2 2.93Å; E14-Y128 HydrophobicContact CG-CD1 4.21Å; E14-Y128 HydrophobicContact CG-CE1 4.16Å
15N95.1Very high95.2Very high74 Ų7462.7 Ų62.740%0.39631%0.305SS..  trans-122.1148.1-173.3-69.5-80000111.9N8 L9 L12 P13N8-N15 WeakPolarHBondContact OD1-CA 3.5Å; N8-N15 PolarHBondContact OD1-OD1 3.4Å; L9-N15 VanDerWaalsContact CA-OD1 3.29Å; L9-N15 WeakPolarHBondContact CA-OD1 3.22Å; L9-N15 HydrophobicContact CD2-CB 4.28Å; L9-N15 WeakPolarHBondContact CD2-OD1 3.3Å; L9-N15 WeakPolarHBondContact CG-OD1 3.44Å; L12-N15 PolarHBondContact O-ND2 3.21Å; P13-N15 PolarHBondContact O-N 3.04Å; P13-N15 PolarHBondContact O-ND2 3.32Å
16Y95.2Very high95.3Very high69 Ų6967.1 Ų67.127%0.27133%0.329SS..  trans-125.2149.8-175.3-47-77.4000112.1Q5 Y20 T63Q5-Y16 PolarHBondContact NE2-O 3.47Å; Y16-Y20 AromaticContact CD1-CD1 3.57Å; Y16-Y20 HydrophobicContact CD1-CD1 3.57Å; Y16-Y20 AromaticContact CD1-CE1 3.7Å; Y16-Y20 HydrophobicContact CD1-CE1 3.7Å; Y16-Y20 HydrophobicContact CD2-CD1 4.4Å; Y16-Y20 HydrophobicContact CE1-CD1 4.26Å; Y16-Y20 AromaticContact CE1-CE1 3.93Å; Y16-Y20 HydrophobicContact CE1-CE1 3.93Å; Y16-Y20 AromaticContact CG-CD1 3.65Å; Y16-Y20 HydrophobicContact CG-CD1 3.65Å; Y16-Y20 HydrophobicContact CG-CE1 4.14Å; Y16-T63 HydrophobicContact CE2-CG2 4.31Å; Y16-T63 PolarHBondContact OH-O 3.01Å; Y16-T63 VanDerWaalsContact OH-O 3.08Å
17Q95.8Very high95.5Very high129 Ų12964.6 Ų64.660%0.60332%0.324SS*.  trans-69.4151.9171-66.5-171.9-16.700110.9K19 Y20Q17-K19 HydrophobicContact CB-CG 4.09Å; Q17-K19 PolarHBondContact O-N 2.68Å; Q17-K19 VanDerWaalsContact O-N 3.12Å; Q17-Y20 WeakPolarHBondContact O-CB 3.42Å; Q17-Y20 PolarHBondContact O-N 3.36Å
18M94.9Very high95.6Very high41 Ų4165.7 Ų65.720%0.20233%0.328CS..Hα-helixtrans-55.1-35.4-177.7-167.960.964.600113.3M1 M2 Q5 Y20 Y21 F22M1-M18 HydrophobicContact CB-SD 4.49Å; M2-M18 HydrophobicContact CB-CE 4.33Å; M2-M18 HydrophobicContact CG-CE 3.83Å; M2-M18 HydrophobicContact CG-SD 4.4Å; Q5-M18 HydrophobicContact CB-CE 4.04Å; Q5-M18 HydrophobicContact CG-CE 4.42Å; M18-Y20 PolarHBondContact O-N 3.05Å; M18-Y20 VanDerWaalsContact O-N 3.12Å; M18-Y21 WeakPolarHBondContact O-CB 3.45Å; M18-Y21 PolarHBondContact O-N 3.32Å; M18-F22 HydrophobicContact CB-CE2 4.47Å; M18-F22 HydrophobicContact CG-CD2 3.86Å; M18-F22 HydrophobicContact CG-CE2 3.4Å; M18-F22 VanDerWaalsContact CG-CE2 3.4Å; M18-F22 HydrophobicContact CG-CZ 3.96Å; M18-F22 WeakPolarHBondContact O-CD2 3.38Å; M18-F22 PolarHBondContact O-N 2.99Å; M18-F22 HydrophobicContact SD-CE2 4.43Å; M18-F22 HydrophobicContact SD-CZ 4.49Å
19K96.5Very high95.7Very high151 Ų15169.3 Ų69.366%0.65735%0.351SS*.Hα-helixtrans-53.4-33.317670.9-178.1-173.9-174.40112.9Q17 F22 Y23Q17-K19 HydrophobicContact CB-CG 4.09Å; Q17-K19 PolarHBondContact O-N 2.68Å; Q17-K19 VanDerWaalsContact O-N 3.12Å; K19-F22 PolarHBondContact O-N 3.12Å; K19-Y23 WeakPolarHBondContact O-CB 3.36Å; K19-Y23 PolarHBondContact O-N 3.28Å
20Y96.8Very high95.7Very high80 Ų8068.7 Ų68.731%0.31435%0.346SS..Hα-helixtrans-75.9-34.4-178.8-163.2-123.6000112.1Y16 Q17 M18 Y23 H24 T63Y16-Y20 AromaticContact CD1-CD1 3.57Å; Y16-Y20 HydrophobicContact CD1-CD1 3.57Å; Y16-Y20 AromaticContact CD1-CE1 3.7Å; Y16-Y20 HydrophobicContact CD1-CE1 3.7Å; Y16-Y20 HydrophobicContact CD2-CD1 4.4Å; Y16-Y20 HydrophobicContact CE1-CD1 4.26Å; Y16-Y20 AromaticContact CE1-CE1 3.93Å; Y16-Y20 HydrophobicContact CE1-CE1 3.93Å; Y16-Y20 AromaticContact CG-CD1 3.65Å; Y16-Y20 HydrophobicContact CG-CD1 3.65Å; Y16-Y20 HydrophobicContact CG-CE1 4.14Å; Q17-Y20 WeakPolarHBondContact O-CB 3.42Å; Q17-Y20 PolarHBondContact O-N 3.36Å; M18-Y20 PolarHBondContact O-N 3.05Å; M18-Y20 VanDerWaalsContact O-N 3.12Å; Y20-Y23 HydrophobicContact CD2-CD1 4.48Å; Y20-Y23 HydrophobicContact CE2-CD1 4.41Å; Y20-Y23 WeakPolarHBondContact O-CB 3.43Å; Y20-Y23 PolarHBondContact O-N 3.4Å; Y20-H24 AromaticContact CD1-CE1 3.95Å; Y20-H24 AromaticContact CE1-CE1 3.51Å; Y20-H24 AromaticContact CE2-CE1 3.76Å; Y20-H24 AromaticContact CZ-CE1 3.4Å; Y20-H24 VanDerWaalsContact CZ-CE1 3.4Å; Y20-H24 PolarHBondContact O-N 2.79Å; Y20-H24 VanDerWaalsContact O-N 3.16Å; Y20-H24 PolarHBondContact O-ND1 3.46Å; Y20-T63 HydrophobicContact CE1-CG2 3.6Å
21Y96.8Very high95.9Very high2 Ų263.5 Ų63.51%0.00832%0.319CS..Hα-helixtrans-65.7-42.8170.3-68.5-91.8000111.1M1 T4 Q5 N8 M18 H24 G25 L47M1-Y21 WeakPolarHBondContact CE-O 3.49Å; T4-Y21 HydrophobicContact CG2-CD1 4.26Å; T4-Y21 HydrophobicContact CG2-CE1 3.97Å; Q5-Y21 HydrophobicContact CB-CD2 4.34Å; Q5-Y21 HydrophobicContact CB-CE1 4.38Å; Q5-Y21 HydrophobicContact CB-CE2 3.84Å; Q5-Y21 HydrophobicContact CG-CD2 4.46Å; Q5-Y21 HydrophobicContact CG-CE2 3.71Å; N8-Y21 WeakPolarHBondContact CB-OH 3.27Å; N8-Y21 PolarHBondContact OD1-OH 3.03Å; N8-Y21 VanDerWaalsContact OD1-OH 3.05Å; M18-Y21 WeakPolarHBondContact O-CB 3.45Å; M18-Y21 PolarHBondContact O-N 3.32Å; Y21-H24 PolarHBondContact O-N 2.96Å; Y21-G25 PolarHBondContact O-N 2.9Å; Y21-G25 VanDerWaalsContact O-N 3.15Å; Y21-L47 HydrophobicContact CD1-CD1 4.31Å; Y21-L47 HydrophobicContact CD1-CD2 4.04Å; Y21-L47 HydrophobicContact CE1-CD2 4.08Å
22F96.7Very high96.1Very high96 Ų9664.1 Ų64.142%0.42132%0.323SS..Hα-helixtrans-61.8-43.9174.7-72.5-50.2000111.8M1 M18 K19 H24 G25 L26M1-F22 HydrophobicContact CE-CD1 4.39Å; M1-F22 HydrophobicContact SD-CB 4.45Å; M1-F22 HydrophobicContact SD-CD1 3.25Å; M1-F22 WeakPolarHBondContact SD-CD1 3.47Å; M1-F22 HydrophobicContact SD-CE1 3.72Å; M1-F22 HydrophobicContact SD-CG 4.11Å; M18-F22 HydrophobicContact CB-CE2 4.47Å; M18-F22 HydrophobicContact CG-CD2 3.86Å; M18-F22 HydrophobicContact CG-CE2 3.4Å; M18-F22 VanDerWaalsContact CG-CE2 3.4Å; M18-F22 HydrophobicContact CG-CZ 3.96Å; M18-F22 WeakPolarHBondContact O-CD2 3.38Å; M18-F22 PolarHBondContact O-N 2.99Å; M18-F22 HydrophobicContact SD-CE2 4.43Å; M18-F22 HydrophobicContact SD-CZ 4.49Å; K19-F22 PolarHBondContact O-N 3.12Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.95Å; F22-G25 PolarHBondContact O-N 2.96Å; F22-L26 HydrophobicContact CB-CD1 4.41Å; F22-L26 VanDerWaalsContact O-CB 3.28Å; F22-L26 WeakPolarHBondContact O-CB 3.41Å; F22-L26 WeakPolarHBondContact O-CG 3.41Å; F22-L26 PolarHBondContact O-N 3.13Å
23Y97.1Very high96.3Very high87 Ų8765.7 Ų65.734%0.34133%0.327SS..Hα-helixtrans-52.1-52.2174.7179.6-112.6000111.7K19 Y20 G25 L26 S27 W28 E52K19-Y23 WeakPolarHBondContact O-CB 3.36Å; K19-Y23 PolarHBondContact O-N 3.28Å; Y20-Y23 HydrophobicContact CD2-CD1 4.48Å; Y20-Y23 HydrophobicContact CE2-CD1 4.41Å; Y20-Y23 WeakPolarHBondContact O-CB 3.43Å; Y20-Y23 PolarHBondContact O-N 3.4Å; Y23-G25 PolarHBondContact O-N 3.25Å; Y23-L26 PolarHBondContact O-N 3.17Å; Y23-S27 VanDerWaalsContact O-CB 3.31Å; Y23-S27 WeakPolarHBondContact O-CB 3.49Å; Y23-S27 PolarHBondContact O-N 3.03Å; Y23-S27 PolarHBondContact O-OG 3.45Å; Y23-S27 VanDerWaalsContact O-OG 3.08Å; Y23-W28 HydrophobicContact CD1-CZ3 4.28Å; Y23-W28 AromaticContact CE1-CH2 3.89Å; Y23-W28 HydrophobicContact CE1-CH2 3.89Å; Y23-W28 AromaticContact CE1-CZ3 3.76Å; Y23-W28 HydrophobicContact CE1-CZ3 3.76Å; Y23-E52 PolarHBondContact OH-OE1 2.95Å; Y23-E52 PolarHBondContact OH-OE2 3.45Å
24H97.2Very high96.5Very high0 Ų064.5 Ų64.50%032%0.318CS..Hα-helixtrans-59-51.3-179.8-79.366.7000113.1Y20 Y21 F22 L26 S27 W28 L47 A48 T63Y20-H24 AromaticContact CD1-CE1 3.95Å; Y20-H24 AromaticContact CE1-CE1 3.51Å; Y20-H24 AromaticContact CE2-CE1 3.76Å; Y20-H24 AromaticContact CZ-CE1 3.4Å; Y20-H24 VanDerWaalsContact CZ-CE1 3.4Å; Y20-H24 PolarHBondContact O-N 2.79Å; Y20-H24 VanDerWaalsContact O-N 3.16Å; Y20-H24 PolarHBondContact O-ND1 3.46Å; Y21-H24 PolarHBondContact O-N 2.96Å; F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.95Å; H24-L26 VanDerWaalsContact C-N 3.33Å; H24-L26 PolarHBondContact O-N 2.97Å; H24-S27 PolarHBondContact O-N 3.21Å; H24-W28 CarbonylContact O-C 3.56Å; H24-W28 PolarHBondContact O-N 3.08Å; H24-L47 HydrophobicContact CB-CD1 3.64Å; H24-L47 HydrophobicContact CB-CG 4.23Å; H24-A48 PolarHBondContact CD2-O 2.86Å; H24-T63 PolarHBondContact NE2-OG1 3.38Å
25G95.9Very high96.8Very high17 Ų1762.7 Ų62.718%0.17531%0.312CS..Hα-helixtrans-80.6-10.5-175.400000114.9Y21 F22 Y23 P29Y21-G25 PolarHBondContact O-N 2.9Å; Y21-G25 VanDerWaalsContact O-N 3.15Å; F22-G25 PolarHBondContact O-N 2.96Å; Y23-G25 PolarHBondContact O-N 3.25Å; G25-P29 WeakPolarHBondContact O-CB 3.21Å
26L97Very high96.9Very high139 Ų13964.5 Ų64.573%0.72832%0.318SS*.Hα-helixtrans-88.7-34169.6-67.4174.3000111.7F22 Y23 H24F22-L26 HydrophobicContact CB-CD1 4.41Å; F22-L26 VanDerWaalsContact O-CB 3.28Å; F22-L26 WeakPolarHBondContact O-CB 3.41Å; F22-L26 WeakPolarHBondContact O-CG 3.41Å; F22-L26 PolarHBondContact O-N 3.13Å; Y23-L26 PolarHBondContact O-N 3.17Å; H24-L26 VanDerWaalsContact C-N 3.33Å; H24-L26 PolarHBondContact O-N 2.97Å
27S97.3Very high96.9Very high53 Ų5362.6 Ų62.637%0.37131%0.312SS..Hα-helixtrans-82.3-42.7178.9-60.10000112.9Y23 H24Y23-S27 VanDerWaalsContact O-CB 3.31Å; Y23-S27 WeakPolarHBondContact O-CB 3.49Å; Y23-S27 PolarHBondContact O-N 3.03Å; Y23-S27 PolarHBondContact O-OG 3.45Å; Y23-S27 VanDerWaalsContact O-OG 3.08Å; H24-S27 PolarHBondContact O-N 3.21Å
28W97.9Very high96.9Very high22 Ų2266.3 Ų66.38%0.08333%0.33CS..  trans-133.565.2-178.2-51.1-78.6000112.2Y23 H24 Q30 L31 K49 M50 E52 F92Y23-W28 HydrophobicContact CD1-CZ3 4.28Å; Y23-W28 AromaticContact CE1-CH2 3.89Å; Y23-W28 HydrophobicContact CE1-CH2 3.89Å; Y23-W28 AromaticContact CE1-CZ3 3.76Å; Y23-W28 HydrophobicContact CE1-CZ3 3.76Å; H24-W28 CarbonylContact O-C 3.56Å; H24-W28 PolarHBondContact O-N 3.08Å; W28-Q30 PolarHBondContact O-N 2.96Å; W28-L31 HydrophobicContact CB-CB 4.2Å; W28-L31 HydrophobicContact CB-CD1 3.7Å; W28-L31 HydrophobicContact CB-CG 3.85Å; W28-L31 HydrophobicContact CG-CD1 4.02Å; W28-L31 PolarHBondContact O-N 3.13Å; W28-L31 VanDerWaalsContact O-N 3.08Å; W28-K49 HydrophobicContact CD2-CB 3.97Å; W28-K49 HydrophobicContact CE3-CB 3.37Å; W28-K49 HydrophobicContact CH2-CB 3.78Å; W28-K49 HydrophobicContact CH2-CD 4.49Å; W28-K49 HydrophobicContact CZ2-CB 4.32Å; W28-K49 HydrophobicContact CZ3-CB 3.29Å; W28-K49 HydrophobicContact CZ3-CD 4.39Å; W28-K49 HydrophobicContact CZ3-CG 4.43Å; W28-M50 HydrophobicContact CG-CG 4.48Å; W28-M50 HydrophobicContact CZ2-CB 4.38Å; W28-M50 WeakPolarHBondContact CZ2-O 3.38Å; W28-E52 HydrophobicContact CH2-CG 4.04Å; W28-E52 WeakPolarHBondContact CH2-OE1 3.14Å; W28-E52 HydrophobicContact CZ2-CG 3.76Å; W28-F92 AromaticContact CD1-CE1 3.97Å; W28-F92 AromaticContact CD1-CZ 3.69Å
29P96.9Very high96.9Very high76 Ų7672.1 Ų72.149%0.49435%0.354SS..THydrogen-bonded Turntrans-57.8-23.7-174.919-29.3000114.2G25G25-P29 WeakPolarHBondContact O-CB 3.21Å
30Q96.1Very high96.9Very high86 Ų8666.8 Ų66.840%0.40234%0.341SS..THydrogen-bonded Turntrans-80.1-16.6-178.4-57.380.43.100113.8W28 Y33 A87 T91W28-Q30 PolarHBondContact O-N 2.96Å; Q30-Y33 VanDerWaalsContact O-CE2 3.26Å; Q30-Y33 WeakPolarHBondContact O-CE2 3.41Å; Q30-Y33 PolarHBondContact O-OH 3.07Å; Q30-A87 WeakPolarHBondContact O-CB 3.42Å; Q30-T91 HydrophobicContact CG-CG2 4.38Å
31L98.1Very high96.8Very high0 Ų069.2 Ų69.20%035%0.35CS..SBendtrans-95.7-13.6-166.4-60.3-170.9000114.4W28 A48 M50 T84 A87 M88 F92W28-L31 HydrophobicContact CB-CB 4.2Å; W28-L31 HydrophobicContact CB-CD1 3.7Å; W28-L31 HydrophobicContact CB-CG 3.85Å; W28-L31 HydrophobicContact CG-CD1 4.02Å; W28-L31 PolarHBondContact O-N 3.13Å; W28-L31 VanDerWaalsContact O-N 3.08Å; L31-A48 HydrophobicContact CB-CB 4.18Å; L31-M50 HydrophobicContact CD1-CG 3.87Å; L31-M50 HydrophobicContact CD1-SD 3.82Å; L31-T84 VanDerWaalsContact O-CG2 3.32Å; L31-T84 WeakPolarHBondContact O-CG2 3.25Å; L31-T84 PolarHBondContact O-OG1 2.72Å; L31-A87 HydrophobicContact CD2-CB 3.84Å; L31-M88 HydrophobicContact CD1-CE 4.33Å; L31-M88 HydrophobicContact CD1-CG 4.14Å; L31-M88 HydrophobicContact CD2-CB 4.36Å; L31-M88 HydrophobicContact CD2-CG 3.65Å; L31-M88 HydrophobicContact CG-CG 4.48Å; L31-F92 HydrophobicContact CD1-CD2 4.14Å; L31-F92 HydrophobicContact CD1-CE2 3.83Å; L31-F92 HydrophobicContact CD2-CD2 3.99Å; L31-F92 HydrophobicContact CD2-CE2 3.71Å; L31-F92 HydrophobicContact CG-CD2 4.36Å; L31-F92 HydrophobicContact CG-CE2 3.77Å
32S97.3Very high96.8Very high38 Ų3869.7 Ų69.727%0.26635%0.353SS..  trans-107.1123.8-175.7-62.80000111.1V46 A48S32-V46 WeakPolarHBondContact CA-O 3.27Å; S32-A48 PolarHBondContact OG-N 3.43Å
33Y98Very high96.8Very high77 Ų7765.3 Ų65.330%0.30233%0.334SS..EExtended strand (participates in β ladder)trans-120.5155.3-177.3-68.1-93.1000111.7Q30 Y45 V46 Q83 A87Q30-Y33 VanDerWaalsContact O-CE2 3.26Å; Q30-Y33 WeakPolarHBondContact O-CE2 3.41Å; Q30-Y33 PolarHBondContact O-OH 3.07Å; Y33-Y45 VanDerWaalsContact O-CA 3.31Å; Y33-Y45 WeakPolarHBondContact O-CA 3.34Å; Y33-V46 HydrophobicContact CD2-CG1 4.42Å; Y33-V46 PolarHBondContact N-O 3.01Å; Y33-V46 PolarHBondContact O-N 3.38Å; Y33-Q83 HydrophobicContact CD1-CB 4.32Å; Y33-Q83 HydrophobicContact CD2-CB 4.19Å; Y33-Q83 HydrophobicContact CE1-CB 4.22Å; Y33-Q83 HydrophobicContact CE2-CB 4.1Å; Y33-Q83 HydrophobicContact CG-CB 4.3Å; Y33-A87 HydrophobicContact CE2-CB 4.21Å
34V98Very high96.9Very high66 Ų6661.2 Ų61.240%0.432%0.317SS..EExtended strand (participates in β ladder)trans-127.4149.1176.8-60.10000110.3E36 I42V34-E36 HydrophobicContact CG2-CG 4.24Å; V34-I42 HydrophobicContact CB-CD1 4.2Å; V34-I42 HydrophobicContact CB-CG1 4.34Å; V34-I42 HydrophobicContact CG1-CD1 3.82Å; V34-I42 HydrophobicContact CG1-CG1 4.5Å
35A97.8Very high96.9Very high14 Ų1461.2 Ų61.212%0.11632%0.317CS..EExtended strand (participates in β ladder)trans-109.7127.916700000108.1I42 V43 G44 L76 L80A35-I42 WeakPolarHBondContact O-CA 3.45Å; A35-V43 HydrophobicContact CB-CG2 4.13Å; A35-V43 VanDerWaalsContact O-CG2 3.31Å; A35-V43 WeakPolarHBondContact O-CG2 3.42Å; A35-V43 PolarHBondContact O-N 3.44Å; A35-G44 PolarHBondContact N-O 2.93Å; A35-G44 PolarHBondContact O-N 2.84Å; A35-L76 HydrophobicContact CB-CD1 4.35Å; A35-L76 HydrophobicContact CB-CD2 4.25Å; A35-L80 HydrophobicContact CB-CD1 4.31Å; A35-L80 HydrophobicContact CB-CD2 4.44Å
36E97.4Very high97Very high112 Ų11260.5 Ų60.552%0.52331%0.31SS..EExtended strand (participates in β ladder)trans-116.1152.2-178.7-63.1-176.5176.200110.8V34 R41 I42V34-E36 HydrophobicContact CG2-CG 4.24Å; E36-R41 VanDerWaalsContact CA-O 3.3Å; E36-R41 WeakPolarHBondContact CA-O 3.48Å; E36-I42 HydrophobicContact CG-CG1 4.23Å
37D96Very high97.1Very high29 Ų2954.2 Ų54.216%0.15528%0.277CS..  trans-86.3178.3167.869.412.3000112K39 G40 R41 V43 F71D37-K39 PolarHBondContact O-N 3.28Å; D37-K39 WeakPolarHBondContact OD1-CA 3.36Å; D37-K39 WeakPolarHBondContact OD1-CB 3.5Å; D37-K39 PolarHBondContact OD1-N 3.31Å; D37-G40 PolarHBondContact O-N 3.17Å; D37-G40 PolarHBondContact OD1-N 3.43Å; D37-R41 PolarHBondContact N-O 3.46Å; D37-R41 WeakPolarHBondContact OD1-CB 3.49Å; D37-R41 PolarHBondContact OD1-N 3.37Å; D37-R41 IonicContact OD1-NE 2.8Å; D37-R41 IonicContact OD2-CZ 3.08Å; D37-R41 IonicContact OD2-NE 2.79Å; D37-R41 PolarHBondContact OD2-NE 2.88Å; D37-R41 IonicContact OD2-NH2 2.66Å; D37-R41 PolarHBondContact OD2-NH2 3.44Å; D37-V43 HydrophobicContact CB-CG1 3.97Å; D37-F71 HydrophobicContact CB-CE1 4.25Å; D37-F71 HydrophobicContact CB-CZ 4.28Å
38E95.3Very high97.1Very high207 Ų20751.7 Ų51.797%0.96726%0.259SS*.THydrogen-bonded Turntrans-57.8-15.6178.9-61.2174.5-177.900114.1
39K95.8Very high97.2Very high163 Ų16351.6 Ų51.671%0.70926%0.259SS*.THydrogen-bonded Turntrans-1008.5178.2-58.3-174.3180-174.50112.5D37 R41D37-K39 PolarHBondContact O-N 3.28Å; D37-K39 WeakPolarHBondContact OD1-CA 3.36Å; D37-K39 WeakPolarHBondContact OD1-CB 3.5Å; D37-K39 PolarHBondContact OD1-N 3.31Å; K39-R41 VanDerWaalsContact C-N 3.27Å; K39-R41 HydrophobicContact CB-CG 4.23Å; K39-R41 PolarHBondContact O-N 3.5Å
40G94.9Very high97.2Very high38 Ų3848.5 Ų48.539%0.39224%0.238SC..SBendtrans71.518.5-177.600000113.8D37D37-G40 PolarHBondContact O-N 3.17Å; D37-G40 PolarHBondContact OD1-N 3.43Å
41R95Very high97.3Very high132 Ų13247.2 Ų47.250%0.49823%0.233SC..  trans-88.6130.5178.9-56.9177.1-63.8-179.71.4109E36 D37 K39 V43E36-R41 VanDerWaalsContact CA-O 3.3Å; E36-R41 WeakPolarHBondContact CA-O 3.48Å; D37-R41 PolarHBondContact N-O 3.46Å; D37-R41 WeakPolarHBondContact OD1-CB 3.49Å; D37-R41 PolarHBondContact OD1-N 3.37Å; D37-R41 IonicContact OD1-NE 2.8Å; D37-R41 IonicContact OD2-CZ 3.08Å; D37-R41 IonicContact OD2-NE 2.79Å; D37-R41 PolarHBondContact OD2-NE 2.88Å; D37-R41 IonicContact OD2-NH2 2.66Å; D37-R41 PolarHBondContact OD2-NH2 3.44Å; K39-R41 VanDerWaalsContact C-N 3.27Å; K39-R41 HydrophobicContact CB-CG 4.23Å; K39-R41 PolarHBondContact O-N 3.5Å; R41-V43 PolarHBondContact O-N 3.36Å
42I97Very high97.1Very high12 Ų1252.5 Ų52.56%0.06226%0.257CS..EExtended strand (participates in β ladder)trans-63121.3173.3-63-177000109.7N3 C7 V34 A35 E36 G44 K68N3-I42 HydrophobicContact CB-CB 4.47Å; N3-I42 HydrophobicContact CB-CD1 3.53Å; N3-I42 HydrophobicContact CB-CG1 4.02Å; C7-I42 HydrophobicContact CB-CG2 4.2Å; V34-I42 HydrophobicContact CB-CD1 4.2Å; V34-I42 HydrophobicContact CB-CG1 4.34Å; V34-I42 HydrophobicContact CG1-CD1 3.82Å; V34-I42 HydrophobicContact CG1-CG1 4.5Å; A35-I42 WeakPolarHBondContact O-CA 3.45Å; E36-I42 HydrophobicContact CG-CG1 4.23Å; I42-G44 WeakPolarHBondContact CG2-O 3.34Å; I42-K68 WeakPolarHBondContact O-CE 3.28Å; I42-K68 PolarHBondContact O-NZ 2.86Å
43V97.5Very high96.9Very high4 Ų454.2 Ų54.22%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-110.4-16.8176.8-62.70000112.8A35 D37 R41 K68 F71 L76A35-V43 HydrophobicContact CB-CG2 4.13Å; A35-V43 VanDerWaalsContact O-CG2 3.31Å; A35-V43 WeakPolarHBondContact O-CG2 3.42Å; A35-V43 PolarHBondContact O-N 3.44Å; D37-V43 HydrophobicContact CB-CG1 3.97Å; R41-V43 PolarHBondContact O-N 3.36Å; V43-K68 WeakPolarHBondContact O-CB 3.36Å; V43-K68 PolarHBondContact O-N 3.47Å; V43-F71 HydrophobicContact CB-CB 4.12Å; V43-F71 HydrophobicContact CB-CD1 4.02Å; V43-F71 HydrophobicContact CB-CD2 3.65Å; V43-F71 HydrophobicContact CB-CE1 4.35Å; V43-F71 HydrophobicContact CB-CE2 4.03Å; V43-F71 HydrophobicContact CB-CG 3.66Å; V43-F71 HydrophobicContact CB-CZ 4.37Å; V43-F71 HydrophobicContact CG1-CD1 3.98Å; V43-F71 HydrophobicContact CG1-CD2 3.56Å; V43-F71 HydrophobicContact CG1-CE1 3.8Å; V43-F71 HydrophobicContact CG1-CE2 3.37Å; V43-F71 HydrophobicContact CG1-CG 3.87Å; V43-F71 HydrophobicContact CG1-CZ 3.5Å; V43-F71 HydrophobicContact CG2-CB 4.38Å; V43-F71 HydrophobicContact CG2-CD1 4.06Å; V43-F71 HydrophobicContact CG2-CG 4.09Å; V43-L76 HydrophobicContact CG2-CD1 4.11Å
44G98Very high96.5Very high0 Ų056.1 Ų56.10%029%0.285CS..EExtended strand (participates in β ladder)trans-161.3162.4168.800000111.4A35 I42 A66A35-G44 PolarHBondContact N-O 2.93Å; A35-G44 PolarHBondContact O-N 2.84Å; I42-G44 WeakPolarHBondContact CG2-O 3.34Å; G44-A66 CarbonylContact C-O 3.5Å; G44-A66 WeakPolarHBondContact CA-O 3.46Å
45Y98.3Very high96.4Very high0 Ų060.4 Ų60.40%031%0.306CS..EExtended strand (participates in β ladder)trans-155.2160.6177.673.3-86.9000110.8T4 C7 N8 Y33 L47 S64 L65 A66T4-Y45 HydrophobicContact CG2-CD1 3.88Å; T4-Y45 HydrophobicContact CG2-CD2 3.36Å; T4-Y45 HydrophobicContact CG2-CE1 4.3Å; T4-Y45 HydrophobicContact CG2-CE2 3.86Å; T4-Y45 HydrophobicContact CG2-CG 3.4Å; C7-Y45 HydrophobicContact CB-CD1 3.92Å; C7-Y45 HydrophobicContact CB-CE1 4.02Å; N8-Y45 HydrophobicContact CB-CE1 4.11Å; N8-Y45 WeakPolarHBondContact CB-OH 3.39Å; N8-Y45 PolarHBondContact ND2-OH 3.28Å; Y33-Y45 VanDerWaalsContact O-CA 3.31Å; Y33-Y45 WeakPolarHBondContact O-CA 3.34Å; Y45-L47 HydrophobicContact CD2-CB 4.24Å; Y45-L47 HydrophobicContact CE2-CB 4.09Å; Y45-S64 PolarHBondContact OH-OG 2.79Å; Y45-L65 WeakPolarHBondContact O-CD1 3.45Å; Y45-A66 HydrophobicContact CD1-CB 4.24Å; Y45-A66 HydrophobicContact CE1-CB 3.58Å; Y45-A66 PolarHBondContact N-O 2.99Å; Y45-A66 PolarHBondContact O-N 2.8Å; Y45-A66 VanDerWaalsContact O-N 3.08Å
46V98.3Very high96.1Very high2 Ų264.2 Ų64.21%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-125.9130.7164.359.40000108.1S32 Y33 I62 S64 L65 L80 M81 T84S32-V46 WeakPolarHBondContact CA-O 3.27Å; Y33-V46 HydrophobicContact CD2-CG1 4.42Å; Y33-V46 PolarHBondContact N-O 3.01Å; Y33-V46 PolarHBondContact O-N 3.38Å; V46-I62 HydrophobicContact CG2-CD1 4.13Å; V46-I62 HydrophobicContact CG2-CG2 4.14Å; V46-S64 CarbonylContact C-O 3.59Å; V46-S64 WeakPolarHBondContact CA-O 3.31Å; V46-L65 HydrophobicContact CB-CD1 3.85Å; V46-L65 HydrophobicContact CG2-CD1 4.19Å; V46-L80 HydrophobicContact CB-CB 4.24Å; V46-L80 HydrophobicContact CG1-CB 3.92Å; V46-L80 HydrophobicContact CG1-CD2 4.31Å; V46-M81 HydrophobicContact CG2-SD 4.08Å; V46-T84 WeakPolarHBondContact CG1-OG1 3.19Å; V46-T84 HydrophobicContact CG2-CG2 4.49Å
47L98.2Very high95.9Very high8 Ų864.6 Ų64.64%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-113.7118.1174-173.673.5000106.6Y21 H24 Y45 T63 S64Y21-L47 HydrophobicContact CD1-CD1 4.31Å; Y21-L47 HydrophobicContact CD1-CD2 4.04Å; Y21-L47 HydrophobicContact CE1-CD2 4.08Å; H24-L47 HydrophobicContact CB-CD1 3.64Å; H24-L47 HydrophobicContact CB-CG 4.23Å; Y45-L47 HydrophobicContact CD2-CB 4.24Å; Y45-L47 HydrophobicContact CE2-CB 4.09Å; L47-T63 HydrophobicContact CD2-CG2 4.07Å; L47-T63 WeakPolarHBondContact O-CB 3.28Å; L47-T63 PolarHBondContact O-N 2.99Å; L47-S64 PolarHBondContact N-O 2.98Å; L47-S64 PolarHBondContact O-N 2.61Å; L47-S64 VanDerWaalsContact O-N 3.11Å
48A98.5Very high96Very high0 Ų067.1 Ų67.10%034%0.339CS..EExtended strand (participates in β ladder)trans-138.1155.2-17400000111.7H24 L31 S32 H61 I62 T84 M88H24-A48 PolarHBondContact CD2-O 2.86Å; L31-A48 HydrophobicContact CB-CB 4.18Å; S32-A48 PolarHBondContact OG-N 3.43Å; A48-H61 VanDerWaalsContact CA-O 3.3Å; A48-H61 WeakPolarHBondContact CA-O 3.22Å; A48-I62 HydrophobicContact CB-CD1 3.87Å; A48-T84 HydrophobicContact CB-CG2 3.61Å; A48-M88 HydrophobicContact CB-CE 3.66Å
49K98.3Very high96.1Very high19 Ų1957.5 Ų57.58%0.08329%0.294CS..EExtended strand (participates in β ladder)trans-134.7168.5178.358.8178.9-75.7-102.40110.6W28 E51 G60 H61W28-K49 HydrophobicContact CD2-CB 3.97Å; W28-K49 HydrophobicContact CE3-CB 3.37Å; W28-K49 HydrophobicContact CH2-CB 3.78Å; W28-K49 HydrophobicContact CH2-CD 4.49Å; W28-K49 HydrophobicContact CZ2-CB 4.32Å; W28-K49 HydrophobicContact CZ3-CB 3.29Å; W28-K49 HydrophobicContact CZ3-CD 4.39Å; W28-K49 HydrophobicContact CZ3-CG 4.43Å; K49-E51 IonicContact NZ-OE1 3Å; K49-E51 PolarHBondContact NZ-OE1 3.08Å; K49-E51 IonicContact NZ-OE2 3.81Å; K49-E51 PolarHBondContact NZ-OE2 3.49Å; K49-G60 CarbonylContact O-C 3.57Å; K49-G60 WeakPolarHBondContact O-CA 3.37Å; K49-H61 HydrophobicContact CG-CB 4.02Å; K49-H61 PolarHBondContact N-O 3.03Å; K49-H61 PolarHBondContact O-N 3.47Å
50M98.3Very high96.2Very high11 Ų1149.8 Ų49.85%0.05426%0.261CS..EExtended strand (participates in β ladder)trans-87.9147.1157.6-62.8-55.2-62.600108.9W28 L31 V58 H59 M88 F92 A94W28-M50 HydrophobicContact CG-CG 4.48Å; W28-M50 HydrophobicContact CZ2-CB 4.38Å; W28-M50 WeakPolarHBondContact CZ2-O 3.38Å; L31-M50 HydrophobicContact CD1-CG 3.87Å; L31-M50 HydrophobicContact CD1-SD 3.82Å; M50-V58 HydrophobicContact CE-CG1 3.75Å; M50-H59 WeakPolarHBondContact CE-O 3.4Å; M50-M88 HydrophobicContact SD-CG 4.2Å; M50-F92 HydrophobicContact CE-CB 3.7Å; M50-F92 HydrophobicContact CE-CG 4.34Å; M50-F92 HydrophobicContact CG-CB 4.09Å; M50-F92 HydrophobicContact CG-CD1 4.04Å; M50-F92 HydrophobicContact CG-CD2 3.79Å; M50-F92 HydrophobicContact CG-CE1 4.45Å; M50-F92 HydrophobicContact CG-CE2 4.24Å; M50-F92 HydrophobicContact CG-CG 3.69Å; M50-F92 HydrophobicContact SD-CB 3.81Å; M50-F92 HydrophobicContact SD-CD2 3.78Å; M50-F92 HydrophobicContact SD-CG 3.88Å; M50-A94 HydrophobicContact CE-CB 3.81Å
51E97.2Very high96.4Very high60 Ų6049.1 Ų49.128%0.2825%0.248SC..  trans-68.9144.9165.6-79.4-47.7133.700111.3K49 H59 H61K49-E51 IonicContact NZ-OE1 3Å; K49-E51 PolarHBondContact NZ-OE1 3.08Å; K49-E51 IonicContact NZ-OE2 3.81Å; K49-E51 PolarHBondContact NZ-OE2 3.49Å; E51-H59 VanDerWaalsContact CB-CE1 3.4Å; E51-H59 WeakPolarHBondContact CB-CE1 3.15Å; E51-H59 WeakPolarHBondContact CG-CE1 3.27Å; E51-H59 WeakPolarHBondContact CG-NE2 3.35Å; E51-H59 PolarHBondContact N-O 2.97Å; E51-H61 HydrophobicContact CG-CB 4.26Å; E51-H61 WeakPolarHBondContact OE1-CB 3.45Å; E51-H61 IonicContact OE1-CG 3.4Å
52E93.4Very high96.6Very high110 Ų11043.3 Ų43.351%0.51423%0.226SC..  trans-107.8-7-170.1-62.4179.8-106.400112.4Y23 W28 P54Y23-E52 PolarHBondContact OH-OE1 2.95Å; Y23-E52 PolarHBondContact OH-OE2 3.45Å; W28-E52 HydrophobicContact CH2-CG 4.04Å; W28-E52 WeakPolarHBondContact CH2-OE1 3.14Å; W28-E52 HydrophobicContact CZ2-CG 3.76Å; E52-P54 WeakPolarHBondContact O-CD 3.25Å
53D94Very high96.6Very high74 Ų7443.4 Ų43.440%0.39623%0.227SC..  trans-69.9116.2177-165.9-34.6000110D55 E56D53-D55 PolarHBondContact O-N 3.39Å; D53-D55 WeakPolarHBondContact OD1-CB 3.19Å; D53-D55 PolarHBondContact OD1-N 2.92Å; D53-E56 HydrophobicContact CB-CB 4.36Å; D53-E56 HydrophobicContact CB-CG 4.08Å; D53-E56 PolarHBondContact O-N 2.75Å
54P90.1Very high96.6Very high118 Ų11843.6 Ų43.677%0.76623%0.229SC*.THydrogen-bonded Turntrans-70.8-16.8-178.631-36.7000113.9E52 E56E52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-E56 VanDerWaalsContact C-N 3.3Å
55D94.3Very high96.6Very high155 Ų15544.6 Ų44.683%0.82923%0.234SC*.THydrogen-bonded Turntrans-82.7-12.9178.1-65.8-37.9000111.9D53D53-D55 PolarHBondContact O-N 3.39Å; D53-D55 WeakPolarHBondContact OD1-CB 3.19Å; D53-D55 PolarHBondContact OD1-N 2.92Å
56E92.7Very high96.6Very high95 Ų9544.9 Ų44.944%0.44424%0.237SC..SBendtrans-92151.9176.7-66.4-160.6-148.700112.9D53 P54 H59D53-E56 HydrophobicContact CB-CB 4.36Å; D53-E56 HydrophobicContact CB-CG 4.08Å; D53-E56 PolarHBondContact O-N 2.75Å; P54-E56 VanDerWaalsContact C-N 3.3Å; E56-H59 IonicContact OE2-CE1 3.52Å; E56-H59 PolarHBondContact OE2-CE1 3.04Å; E56-H59 IonicContact OE2-ND1 3.52Å; E56-H59 IonicContact OE2-NE2 2.72Å
57E93.8Very high96.5Very high120 Ų12045.4 Ų45.456%0.56124%0.24SC*.  trans-63.4138.9171.2-176.6176.6-123.900110H59 K95 F96E57-H59 PolarHBondContact O-N 2.97Å; E57-H59 PolarHBondContact O-ND1 3.36Å; E57-K95 HydrophobicContact CG-CB 3.97Å; E57-K95 HydrophobicContact CG-CG 3.63Å; E57-K95 WeakPolarHBondContact OE2-CB 3.44Å; E57-F96 HydrophobicContact CB-CE1 4.25Å
58V96.4Very high96.5Very high81 Ų8147.2 Ų47.249%0.49125%0.247SC..SBendtrans-56.7113.4-177-1780000110.6M50 F92 A94 K95M50-V58 HydrophobicContact CE-CG1 3.75Å; V58-F92 WeakPolarHBondContact CG1-O 3.49Å; V58-A94 CarbonylContact O-C 3.54Å; V58-A94 WeakPolarHBondContact O-CA 3.41Å; V58-K95 PolarHBondContact O-N 3.18Å
59H98Very high96.3Very high6 Ų657.6 Ų57.63%0.02829%0.286CS..  trans-150155.6-175.376.8-85000111.8M50 E51 E56 E57 F96 S98M50-H59 WeakPolarHBondContact CE-O 3.4Å; E51-H59 VanDerWaalsContact CB-CE1 3.4Å; E51-H59 WeakPolarHBondContact CB-CE1 3.15Å; E51-H59 WeakPolarHBondContact CG-CE1 3.27Å; E51-H59 WeakPolarHBondContact CG-NE2 3.35Å; E51-H59 PolarHBondContact N-O 2.97Å; E56-H59 IonicContact OE2-CE1 3.52Å; E56-H59 PolarHBondContact OE2-CE1 3.04Å; E56-H59 IonicContact OE2-ND1 3.52Å; E56-H59 IonicContact OE2-NE2 2.72Å; E57-H59 PolarHBondContact O-N 2.97Å; E57-H59 PolarHBondContact O-ND1 3.36Å; H59-F96 WeakPolarHBondContact CA-O 3.31Å; H59-F96 HydrophobicContact CB-CD1 3.72Å; H59-F96 HydrophobicContact CB-CD2 3.69Å; H59-F96 HydrophobicContact CB-CE1 3.54Å; H59-F96 HydrophobicContact CB-CE2 3.52Å; H59-F96 HydrophobicContact CB-CG 3.79Å; H59-F96 HydrophobicContact CB-CZ 3.42Å; H59-F96 VanDerWaalsContact CB-CZ 3.42Å; H59-F96 VanDerWaalsContact CB-O 3.27Å; H59-F96 WeakPolarHBondContact CB-O 3.31Å; H59-F96 AromaticContact CD2-CD2 3.85Å; H59-F96 AromaticContact CD2-CE2 3.14Å; H59-F96 WeakPolarHBondContact CD2-CE2 3.31Å; H59-F96 AromaticContact CD2-CZ 3.55Å; H59-F96 AromaticContact CE1-CZ 3.88Å; H59-F96 AromaticContact CG-CD2 3.94Å; H59-F96 AromaticContact CG-CE1 3.84Å; H59-F96 AromaticContact CG-CE2 3.28Å; H59-F96 AromaticContact CG-CZ 3.21Å; H59-F96 AromaticContact ND1-CE2 3.91Å; H59-F96 AromaticContact ND1-CZ 3.45Å; H59-F96 WeakPolarHBondContact ND1-CZ 3.34Å; H59-F96 AromaticContact NE2-CE2 3.7Å; H59-F96 AromaticContact NE2-CZ 3.93Å; H59-S98 PolarHBondContact NE2-OG 3.12Å
60G98.4Very high96.1Very high0 Ų061.3 Ų61.30%032%0.315CS..EExtended strand (participates in β ladder)trans-90.5160.6176.600000112.4K49 F96 V97 S98K49-G60 CarbonylContact O-C 3.57Å; K49-G60 WeakPolarHBondContact O-CA 3.37Å; G60-F96 PolarHBondContact N-O 3.36Å; G60-V97 CarbonylContact O-C 3.52Å; G60-V97 VanDerWaalsContact O-CA 3.27Å; G60-V97 WeakPolarHBondContact O-CA 3.28Å; G60-S98 PolarHBondContact O-N 2.93Å; G60-S98 PolarHBondContact O-OG 3.03Å
61H98.6Very high96Very high25 Ų2563.5 Ų63.512%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-131.8134.7173.4-174.282.7000111.3A48 K49 E51 T63 S98 H100A48-H61 VanDerWaalsContact CA-O 3.3Å; A48-H61 WeakPolarHBondContact CA-O 3.22Å; K49-H61 HydrophobicContact CG-CB 4.02Å; K49-H61 PolarHBondContact N-O 3.03Å; K49-H61 PolarHBondContact O-N 3.47Å; E51-H61 HydrophobicContact CG-CB 4.26Å; E51-H61 WeakPolarHBondContact OE1-CB 3.45Å; E51-H61 IonicContact OE1-CG 3.4Å; H61-T63 PolarHBondContact O-N 2.82Å; H61-S98 WeakPolarHBondContact CA-O 3.48Å; H61-S98 PolarHBondContact ND1-OG 2.99Å; H61-H100 AromaticContact CE1-CE1 3.98Å; H61-H100 AromaticContact CE1-ND1 3.52Å
62I98.6Very high95.9Very high10 Ų1066.5 Ų66.55%0.05133%0.333CS..EExtended strand (participates in β ladder)trans-91.997.5175-52-61.8000109.5V46 A48 L65 M81 T84 M88 V97 S98 L99V46-I62 HydrophobicContact CG2-CD1 4.13Å; V46-I62 HydrophobicContact CG2-CG2 4.14Å; A48-I62 HydrophobicContact CB-CD1 3.87Å; I62-L65 HydrophobicContact CG2-CB 4.25Å; I62-M81 HydrophobicContact CD1-CE 4.18Å; I62-M81 HydrophobicContact CD1-SD 3.94Å; I62-M81 HydrophobicContact CG1-CE 3.8Å; I62-M81 HydrophobicContact CG1-SD 4.01Å; I62-M81 HydrophobicContact CG2-SD 4.1Å; I62-T84 HydrophobicContact CD1-CG2 3.94Å; I62-M88 HydrophobicContact CD1-CE 4.12Å; I62-V97 HydrophobicContact CD1-CG2 3.79Å; I62-V97 HydrophobicContact CG1-CG2 3.66Å; I62-S98 PolarHBondContact N-O 3.12Å; I62-L99 HydrophobicContact CB-CB 3.96Å; I62-L99 HydrophobicContact CG1-CB 4.47Å; I62-L99 HydrophobicContact CG1-CD2 4.5Å
63T97.9Very high95.9Very high14 Ų1472.3 Ų72.39%0.08635%0.35CS..EExtended strand (participates in β ladder)trans-65.9-39.6177.8-550000112.5Y16 Y20 H24 L47 H61Y16-T63 HydrophobicContact CE2-CG2 4.31Å; Y16-T63 PolarHBondContact OH-O 3.01Å; Y16-T63 VanDerWaalsContact OH-O 3.08Å; Y20-T63 HydrophobicContact CE1-CG2 3.6Å; H24-T63 PolarHBondContact NE2-OG1 3.38Å; L47-T63 HydrophobicContact CD2-CG2 4.07Å; L47-T63 WeakPolarHBondContact O-CB 3.28Å; L47-T63 PolarHBondContact O-N 2.99Å; H61-T63 PolarHBondContact O-N 2.82Å
64S97.8Very high95.9Very high8 Ų874 Ų746%0.05636%0.359CS..EExtended strand (participates in β ladder)trans-161.5137179.8-171.60000112.6L12 Y45 V46 L47L12-S64 VanDerWaalsContact CD1-OG 3.32Å; L12-S64 WeakPolarHBondContact CD1-OG 3.32Å; Y45-S64 PolarHBondContact OH-OG 2.79Å; V46-S64 CarbonylContact C-O 3.59Å; V46-S64 WeakPolarHBondContact CA-O 3.31Å; L47-S64 PolarHBondContact N-O 2.98Å; L47-S64 PolarHBondContact O-N 2.61Å; L47-S64 VanDerWaalsContact O-N 3.11Å
65L98Very high96.2Very high21 Ų2170 Ų7011%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-133.7124.1174.5177.572.6000108.8Y45 V46 I62 A77 L80 M81 L111 Y112Y45-L65 WeakPolarHBondContact O-CD1 3.45Å; V46-L65 HydrophobicContact CB-CD1 3.85Å; V46-L65 HydrophobicContact CG2-CD1 4.19Å; I62-L65 HydrophobicContact CG2-CB 4.25Å; L65-A77 HydrophobicContact CD2-CB 4.33Å; L65-L80 HydrophobicContact CD1-CB 4.47Å; L65-M81 HydrophobicContact CD1-CG 4.08Å; L65-M81 HydrophobicContact CD1-SD 4.17Å; L65-M81 HydrophobicContact CD2-CG 3.81Å; L65-M81 HydrophobicContact CD2-SD 3.86Å; L65-M81 HydrophobicContact CG-SD 4.48Å; L65-L111 HydrophobicContact CD2-CD2 4.08Å; L65-Y112 HydrophobicContact CD2-CE1 3.83Å
66A97.5Very high96.3Very high6 Ų664.4 Ų64.45%0.0531%0.308CS..EExtended strand (participates in β ladder)trans-143.8146175.400000112.4C11 L12 G44 Y45C11-A66 HydrophobicContact CB-CB 3.69Å; L12-A66 HydrophobicContact CD1-CB 4.04Å; L12-A66 HydrophobicContact CG-CB 4.21Å; G44-A66 CarbonylContact C-O 3.5Å; G44-A66 WeakPolarHBondContact CA-O 3.46Å; Y45-A66 HydrophobicContact CD1-CB 4.24Å; Y45-A66 HydrophobicContact CE1-CB 3.58Å; Y45-A66 PolarHBondContact N-O 2.99Å; Y45-A66 PolarHBondContact O-N 2.8Å; Y45-A66 VanDerWaalsContact O-N 3.08Å
67V97.4Very high96.6Very high13 Ų1360.8 Ų60.88%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-132.8128.3169.3-178.60000108F71 R72 L76 A77V67-F71 HydrophobicContact CG1-CB 4.06Å; V67-F71 WeakPolarHBondContact CG1-O 3.47Å; V67-R72 HydrophobicContact CB-CG 4.27Å; V67-R72 HydrophobicContact CG1-CG 4.13Å; V67-R72 PolarHBondContact O-NE 2.81Å; V67-R72 PolarHBondContact O-NH2 2.99Å; V67-L76 HydrophobicContact CG1-CD1 4.16Å; V67-L76 HydrophobicContact CG2-CB 4.33Å; V67-A77 HydrophobicContact CG2-CB 4.06Å
68K96.5Very high96.7Very high46 Ų4658.7 Ų58.720%0.229%0.285CS..  trans-53.6139.2176.1-76.1-175.5177.5159.80110I42 V43 S70 F71 R72I42-K68 WeakPolarHBondContact O-CE 3.28Å; I42-K68 PolarHBondContact O-NZ 2.86Å; V43-K68 WeakPolarHBondContact O-CB 3.36Å; V43-K68 PolarHBondContact O-N 3.47Å; K68-S70 PolarHBondContact O-N 3.44Å; K68-S70 VanDerWaalsContact O-N 3.09Å; K68-F71 HydrophobicContact CB-CD2 4.17Å; K68-F71 PolarHBondContact O-N 3.37Å; K68-R72 PolarHBondContact O-N 2.96Å
69R94.8Very high96.8Very high218 Ų21861.7 Ų61.782%0.82329%0.291SS*.G310 helixtrans-51.7-39.5-173-169.9175.8-173.7173.12113.5F71 R72R69-F71 PolarHBondContact O-N 3.38Å; R69-R72 PolarHBondContact O-N 3.04Å
70S95.4Very high96.8Very high97 Ų9761.9 Ų61.968%0.67829%0.293SS*.G310 helixtrans-69.1-13.1179.155.90000114.9K68K68-S70 PolarHBondContact O-N 3.44Å; K68-S70 VanDerWaalsContact O-N 3.09Å
71F95.9Very high96.8Very high56 Ų5662.1 Ų62.125%0.24629%0.294CS..G310 helixtrans-117.19.7-179.4-66-92000112.6D37 V43 V67 K68 R69 L74 L76D37-F71 HydrophobicContact CB-CE1 4.25Å; D37-F71 HydrophobicContact CB-CZ 4.28Å; V43-F71 HydrophobicContact CB-CB 4.12Å; V43-F71 HydrophobicContact CB-CD1 4.02Å; V43-F71 HydrophobicContact CB-CD2 3.65Å; V43-F71 HydrophobicContact CB-CE1 4.35Å; V43-F71 HydrophobicContact CB-CE2 4.03Å; V43-F71 HydrophobicContact CB-CG 3.66Å; V43-F71 HydrophobicContact CB-CZ 4.37Å; V43-F71 HydrophobicContact CG1-CD1 3.98Å; V43-F71 HydrophobicContact CG1-CD2 3.56Å; V43-F71 HydrophobicContact CG1-CE1 3.8Å; V43-F71 HydrophobicContact CG1-CE2 3.37Å; V43-F71 HydrophobicContact CG1-CG 3.87Å; V43-F71 HydrophobicContact CG1-CZ 3.5Å; V43-F71 HydrophobicContact CG2-CB 4.38Å; V43-F71 HydrophobicContact CG2-CD1 4.06Å; V43-F71 HydrophobicContact CG2-CG 4.09Å; V67-F71 HydrophobicContact CG1-CB 4.06Å; V67-F71 WeakPolarHBondContact CG1-O 3.47Å; K68-F71 HydrophobicContact CB-CD2 4.17Å; K68-F71 PolarHBondContact O-N 3.37Å; R69-F71 PolarHBondContact O-N 3.38Å; F71-L74 HydrophobicContact CB-CD1 4.41Å; F71-L74 HydrophobicContact CD1-CD1 4.32Å; F71-L76 HydrophobicContact CB-CD1 4.02Å
72R94.1Very high96.7Very high123 Ų12362.5 Ų62.546%0.46430%0.297SS..THydrogen-bonded Turntrans-72.7162.6175.2-67.7-177.9-174.8179.4-1.1110.5V67 K68 R69 L74V67-R72 HydrophobicContact CB-CG 4.27Å; V67-R72 HydrophobicContact CG1-CG 4.13Å; V67-R72 PolarHBondContact O-NE 2.81Å; V67-R72 PolarHBondContact O-NH2 2.99Å; K68-R72 PolarHBondContact O-N 2.96Å; R69-R72 PolarHBondContact O-N 3.04Å; R72-L74 PolarHBondContact O-N 3.01Å
73R93.2Very high96.7Very high233 Ų23367.2 Ų67.288%0.87932%0.318SS*.THydrogen-bonded Turntrans65.913.6179.8-48.7-62.5-63.4-171.5-1.3115
74L94.6Very high96.7Very high110 Ų11066.6 Ų66.658%0.57632%0.315SS*.SBendtrans-98.711.3173.3-59.4177.1000113.4F71 R72 L76F71-L74 HydrophobicContact CB-CD1 4.41Å; F71-L74 HydrophobicContact CD1-CD1 4.32Å; R72-L74 PolarHBondContact O-N 3.01Å; L74-L76 HydrophobicContact CB-CG 4.19Å; L74-L76 PolarHBondContact O-N 3.47Å
75G95.7Very high96.7Very high33 Ų3366.3 Ų66.334%0.3431%0.313SS..SBendtrans72.64.3-17700000115.4A77 Q78 K79G75-A77 PolarHBondContact O-N 3.36Å; G75-Q78 PolarHBondContact O-N 3.08Å; G75-K79 PolarHBondContact O-N 2.9Å; G75-K79 VanDerWaalsContact O-N 3.08Å
76L97.5Very high96.7Very high37 Ų3766.1 Ų66.119%0.19431%0.314CS..Hα-helixtrans-58.4-44.9-176.4-65.5179.3000113.4A35 V43 V67 F71 L74 Q78 K79 L80A35-L76 HydrophobicContact CB-CD1 4.35Å; A35-L76 HydrophobicContact CB-CD2 4.25Å; V43-L76 HydrophobicContact CG2-CD1 4.11Å; V67-L76 HydrophobicContact CG1-CD1 4.16Å; V67-L76 HydrophobicContact CG2-CB 4.33Å; F71-L76 HydrophobicContact CB-CD1 4.02Å; L74-L76 HydrophobicContact CB-CG 4.19Å; L74-L76 PolarHBondContact O-N 3.47Å; L76-Q78 VanDerWaalsContact C-N 3.3Å; L76-Q78 PolarHBondContact O-N 3.38Å; L76-K79 PolarHBondContact O-N 3.46Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 3.45Å
77A97.5Very high96.7Very high19 Ų1966 Ų6616%0.15731%0.313CS..Hα-helixtrans-61.5-40.5-179.500000111.8L65 V67 G75 M81 L111L65-A77 HydrophobicContact CD2-CB 4.33Å; V67-A77 HydrophobicContact CG2-CB 4.06Å; G75-A77 PolarHBondContact O-N 3.36Å; A77-M81 WeakPolarHBondContact O-CB 3.26Å; A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 3.37Å; A77-L111 HydrophobicContact CB-CD1 4.38Å; A77-L111 HydrophobicContact CB-CD2 3.7Å
78Q97.1Very high96.7Very high77 Ų7765.4 Ų65.436%0.3631%0.31SS..Hα-helixtrans-63.2-50.3175.8174.8179.31.700111.1G75 L76 L80 M81 D82 T115 L116G75-Q78 PolarHBondContact O-N 3.08Å; L76-Q78 VanDerWaalsContact C-N 3.3Å; L76-Q78 PolarHBondContact O-N 3.38Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.46Å; Q78-M81 PolarHBondContact O-N 3.15Å; Q78-M81 VanDerWaalsContact O-N 3.16Å; Q78-D82 WeakPolarHBondContact CG-OD2 3.47Å; Q78-D82 PolarHBondContact O-N 3.37Å; Q78-T115 HydrophobicContact CB-CG2 4.17Å; Q78-T115 HydrophobicContact CG-CG2 4.08Å; Q78-L116 HydrophobicContact CB-CD2 4.27Å; Q78-L116 HydrophobicContact CG-CD2 3.88Å
79K97.3Very high96.8Very high143 Ų14364.8 Ų64.862%0.62231%0.309SS*.Hα-helixtrans-57.5-45.3179.1-69.6-178.9178.7-1760112.3G75 L76 M81 D82 Q83G75-K79 PolarHBondContact O-N 2.9Å; G75-K79 VanDerWaalsContact O-N 3.08Å; L76-K79 PolarHBondContact O-N 3.46Å; K79-M81 VanDerWaalsContact C-N 3.35Å; K79-M81 PolarHBondContact O-N 3.39Å; K79-D82 PolarHBondContact O-N 3.16Å; K79-Q83 WeakPolarHBondContact O-CB 3.21Å; K79-Q83 VanDerWaalsContact O-CG 3.28Å; K79-Q83 WeakPolarHBondContact O-CG 3.28Å; K79-Q83 PolarHBondContact O-N 3.4Å
80L98.2Very high96.8Very high11 Ų1161.6 Ų61.66%0.05830%0.304CS..Hα-helixtrans-59.6-45.6177.1-72.6168.3000111.6A35 V46 L65 L76 Q78 T84A35-L80 HydrophobicContact CB-CD1 4.31Å; A35-L80 HydrophobicContact CB-CD2 4.44Å; V46-L80 HydrophobicContact CB-CB 4.24Å; V46-L80 HydrophobicContact CG1-CB 3.92Å; V46-L80 HydrophobicContact CG1-CD2 4.31Å; L65-L80 HydrophobicContact CD1-CB 4.47Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 3.45Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 3.46Å; L80-T84 WeakPolarHBondContact O-CB 3.38Å; L80-T84 PolarHBondContact O-N 2.87Å; L80-T84 PolarHBondContact O-OG1 2.98Å
81M98.3Very high96.9Very high5 Ų560.1 Ų60.13%0.02529%0.291CS..Hα-helixtrans-68.2-40.4-179.9-70.3-75-69.500112.5V46 I62 L65 A77 Q78 K79 T84 A85 L99 Y112 L116 F118V46-M81 HydrophobicContact CG2-SD 4.08Å; I62-M81 HydrophobicContact CD1-CE 4.18Å; I62-M81 HydrophobicContact CD1-SD 3.94Å; I62-M81 HydrophobicContact CG1-CE 3.8Å; I62-M81 HydrophobicContact CG1-SD 4.01Å; I62-M81 HydrophobicContact CG2-SD 4.1Å; L65-M81 HydrophobicContact CD1-CG 4.08Å; L65-M81 HydrophobicContact CD1-SD 4.17Å; L65-M81 HydrophobicContact CD2-CG 3.81Å; L65-M81 HydrophobicContact CD2-SD 3.86Å; L65-M81 HydrophobicContact CG-SD 4.48Å; A77-M81 WeakPolarHBondContact O-CB 3.26Å; A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 3.37Å; Q78-M81 PolarHBondContact O-N 3.15Å; Q78-M81 VanDerWaalsContact O-N 3.16Å; K79-M81 VanDerWaalsContact C-N 3.35Å; K79-M81 PolarHBondContact O-N 3.39Å; M81-T84 PolarHBondContact O-N 2.82Å; M81-A85 VanDerWaalsContact O-CB 3.28Å; M81-A85 WeakPolarHBondContact O-CB 3.34Å; M81-A85 PolarHBondContact O-N 2.91Å; M81-L99 HydrophobicContact CE-CD2 4.16Å; M81-Y112 HydrophobicContact CE-CD1 4.47Å; M81-Y112 HydrophobicContact CE-CE1 4.13Å; M81-L116 HydrophobicContact CB-CD1 3.81Å; M81-L116 HydrophobicContact CB-CD2 4.08Å; M81-L116 HydrophobicContact CE-CD1 4.01Å; M81-L116 HydrophobicContact CG-CD1 3.77Å; M81-F118 HydrophobicContact CE-CE2 3.65Å; M81-F118 HydrophobicContact CE-CZ 3.62Å
82D97.4Very high96.9Very high33 Ų3360.4 Ų60.418%0.17629%0.292CS..Hα-helixtrans-68.9-37.9178.3-71.4-25.7000111.7Q78 K79 A85 A86 R139 F144Q78-D82 WeakPolarHBondContact CG-OD2 3.47Å; Q78-D82 PolarHBondContact O-N 3.37Å; K79-D82 PolarHBondContact O-N 3.16Å; D82-A85 PolarHBondContact O-N 2.92Å; D82-A86 WeakPolarHBondContact O-CB 3.24Å; D82-A86 PolarHBondContact O-N 3Å; D82-R139 IonicContact OD1-CZ 3.89Å; D82-R139 IonicContact OD1-NH1 3.87Å; D82-R139 PolarHBondContact OD1-NH1 3.37Å; D82-R139 IonicContact OD1-NH2 3.04Å; D82-R139 PolarHBondContact OD1-NH2 3.05Å; D82-F144 HydrophobicContact CB-CE2 4.33Å; D82-F144 HydrophobicContact CB-CZ 4.15Å
83Q97.4Very high97Very high109 Ų10959.8 Ų59.851%0.50930%0.298SS..Hα-helixtrans-63.8-42.9172.2-70.4-62.3-63.700111.9Y33 K79 A86 A87Y33-Q83 HydrophobicContact CD1-CB 4.32Å; Y33-Q83 HydrophobicContact CD2-CB 4.19Å; Y33-Q83 HydrophobicContact CE1-CB 4.22Å; Y33-Q83 HydrophobicContact CE2-CB 4.1Å; Y33-Q83 HydrophobicContact CG-CB 4.3Å; K79-Q83 WeakPolarHBondContact O-CB 3.21Å; K79-Q83 VanDerWaalsContact O-CG 3.28Å; K79-Q83 WeakPolarHBondContact O-CG 3.28Å; K79-Q83 PolarHBondContact O-N 3.4Å; Q83-A86 PolarHBondContact O-N 2.89Å; Q83-A87 PolarHBondContact O-N 3.45Å
84T98.3Very high97.2Very high1 Ų148.8 Ų48.81%0.00626%0.257CS..Hα-helixtrans-61.6-46.2175.9-57.80000111.3L31 V46 A48 I62 L80 M81 A86 A87 M88L31-T84 VanDerWaalsContact O-CG2 3.32Å; L31-T84 WeakPolarHBondContact O-CG2 3.25Å; L31-T84 PolarHBondContact O-OG1 2.72Å; V46-T84 WeakPolarHBondContact CG1-OG1 3.19Å; V46-T84 HydrophobicContact CG2-CG2 4.49Å; A48-T84 HydrophobicContact CB-CG2 3.61Å; I62-T84 HydrophobicContact CD1-CG2 3.94Å; L80-T84 WeakPolarHBondContact O-CB 3.38Å; L80-T84 PolarHBondContact O-N 2.87Å; L80-T84 PolarHBondContact O-OG1 2.98Å; M81-T84 PolarHBondContact O-N 2.82Å; T84-A86 PolarHBondContact O-N 2.8Å; T84-A87 PolarHBondContact O-N 3.02Å; T84-M88 HydrophobicContact CG2-CE 3.65Å; T84-M88 HydrophobicContact CG2-CG 4.48Å; T84-M88 HydrophobicContact CG2-SD 4.13Å; T84-M88 VanDerWaalsContact O-CG 3.28Å; T84-M88 WeakPolarHBondContact O-CG 3.11Å; T84-M88 PolarHBondContact O-N 3.43Å
85A98.2Very high97.4Very high2 Ų247.4 Ų47.42%0.01725%0.247CC..Hα-helixtrans-60.2-43.7177.800000112M81 D82 M88 V89 L141 F144M81-A85 VanDerWaalsContact O-CB 3.28Å; M81-A85 WeakPolarHBondContact O-CB 3.34Å; M81-A85 PolarHBondContact O-N 2.91Å; D82-A85 PolarHBondContact O-N 2.92Å; A85-M88 PolarHBondContact O-N 3.44Å; A85-V89 WeakPolarHBondContact O-CG2 3.39Å; A85-V89 PolarHBondContact O-N 2.86Å; A85-V89 VanDerWaalsContact O-N 3.13Å; A85-L141 HydrophobicContact CB-CD2 3.61Å; A85-F144 HydrophobicContact CB-CD1 3.99Å; A85-F144 HydrophobicContact CB-CE1 3.59Å; A85-F144 HydrophobicContact CB-CZ 4.02Å
86A97.4Very high97.5Very high17 Ų1747 Ų4714%0.1424%0.236CC..Hα-helixtrans-60.8-47.8175.300000111.3D82 Q83 T84 M88 V89 E90 F144D82-A86 WeakPolarHBondContact O-CB 3.24Å; D82-A86 PolarHBondContact O-N 3Å; Q83-A86 PolarHBondContact O-N 2.89Å; T84-A86 PolarHBondContact O-N 2.8Å; A86-M88 VanDerWaalsContact C-N 3.32Å; A86-M88 PolarHBondContact O-N 3.45Å; A86-V89 PolarHBondContact O-N 3.07Å; A86-V89 VanDerWaalsContact O-N 3.17Å; A86-E90 WeakPolarHBondContact O-CB 3.36Å; A86-E90 WeakPolarHBondContact O-CG 3.34Å; A86-E90 PolarHBondContact O-N 3.16Å; A86-F144 HydrophobicContact CB-CE1 4.32Å
87A97.9Very high97.5Very high4 Ų445.5 Ų45.53%0.03323%0.228CC..Hα-helixtrans-61.4-38178.200000113.1Q30 L31 Y33 Q83 T84 T91Q30-A87 WeakPolarHBondContact O-CB 3.42Å; L31-A87 HydrophobicContact CD2-CB 3.84Å; Y33-A87 HydrophobicContact CE2-CB 4.21Å; Q83-A87 PolarHBondContact O-N 3.45Å; T84-A87 PolarHBondContact O-N 3.02Å; A87-T91 WeakPolarHBondContact O-CB 3.3Å; A87-T91 PolarHBondContact O-N 3.37Å; A87-T91 PolarHBondContact O-OG1 2.78Å
88M98.2Very high97.6Very high0 Ų045.3 Ų45.30%023%0.225CC..Hα-helixtrans-61.5-43.7174.7-73.9173.1169.800112.1L31 A48 M50 I62 T84 A85 A86 F92 N93 A94 V97 L141L31-M88 HydrophobicContact CD1-CE 4.33Å; L31-M88 HydrophobicContact CD1-CG 4.14Å; L31-M88 HydrophobicContact CD2-CB 4.36Å; L31-M88 HydrophobicContact CD2-CG 3.65Å; L31-M88 HydrophobicContact CG-CG 4.48Å; A48-M88 HydrophobicContact CB-CE 3.66Å; M50-M88 HydrophobicContact SD-CG 4.2Å; I62-M88 HydrophobicContact CD1-CE 4.12Å; T84-M88 HydrophobicContact CG2-CE 3.65Å; T84-M88 HydrophobicContact CG2-CG 4.48Å; T84-M88 HydrophobicContact CG2-SD 4.13Å; T84-M88 VanDerWaalsContact O-CG 3.28Å; T84-M88 WeakPolarHBondContact O-CG 3.11Å; T84-M88 PolarHBondContact O-N 3.43Å; A85-M88 PolarHBondContact O-N 3.44Å; A86-M88 VanDerWaalsContact C-N 3.32Å; A86-M88 PolarHBondContact O-N 3.45Å; M88-F92 CarbonylContact O-C 3.55Å; M88-F92 WeakPolarHBondContact O-CB 3.09Å; M88-F92 PolarHBondContact O-N 2.94Å; M88-F92 VanDerWaalsContact O-N 3.15Å; M88-N93 PolarHBondContact O-N 3.11Å; M88-A94 HydrophobicContact CB-CB 3.78Å; M88-A94 WeakPolarHBondContact O-CB 3.43Å; M88-A94 PolarHBondContact O-N 2.8Å; M88-V97 HydrophobicContact CE-CG2 3.98Å; M88-V97 HydrophobicContact SD-CB 3.93Å; M88-V97 HydrophobicContact SD-CG2 3.74Å; M88-L141 HydrophobicContact CB-CD1 3.99Å; M88-L141 HydrophobicContact SD-CD1 4.31Å
89V97.4Very high97.6Very high32 Ų3241.8 Ų41.819%0.19421%0.209CC..Hα-helixtrans-66.9-52.5176.8174.40000110.5A85 A86 T91 N93 L141 A145A85-V89 WeakPolarHBondContact O-CG2 3.39Å; A85-V89 PolarHBondContact O-N 2.86Å; A85-V89 VanDerWaalsContact O-N 3.13Å; A86-V89 PolarHBondContact O-N 3.07Å; A86-V89 VanDerWaalsContact O-N 3.17Å; V89-T91 PolarHBondContact O-N 3.48Å; V89-N93 VanDerWaalsContact O-CA 3.28Å; V89-N93 WeakPolarHBondContact O-CA 3.41Å; V89-N93 PolarHBondContact O-N 2.86Å; V89-L141 HydrophobicContact CG2-CB 3.69Å; V89-L141 HydrophobicContact CG2-CD1 4.08Å; V89-L141 HydrophobicContact CG2-CG 4.38Å; V89-A145 HydrophobicContact CG1-CB 3.97Å; V89-A145 HydrophobicContact CG2-CB 4.44Å
90E96.2Very high97.7Very high151 Ų15137.1 Ų37.171%0.70619%0.189SC*.Hα-helixtrans-67.4-37.7-171.9-71.2172.9-172.200113.1A86A86-E90 WeakPolarHBondContact O-CB 3.36Å; A86-E90 WeakPolarHBondContact O-CG 3.34Å; A86-E90 PolarHBondContact O-N 3.16Å
91T96.9Very high97.7Very high67 Ų6736.8 Ų36.841%0.41119%0.188SC..Hα-helixtrans-94-33.2-173.4-47.60000112.3Q30 A87 V89Q30-T91 HydrophobicContact CG-CG2 4.38Å; A87-T91 WeakPolarHBondContact O-CB 3.3Å; A87-T91 PolarHBondContact O-N 3.37Å; A87-T91 PolarHBondContact O-OG1 2.78Å; V89-T91 PolarHBondContact O-N 3.48Å
92F96.5Very high97.7Very high61 Ų6138 Ų3827%0.26819%0.192SC..Hα-helixtrans-1272.9-168.9-54.2-76.2000114.1W28 L31 M50 V58 M88 A94W28-F92 AromaticContact CD1-CE1 3.97Å; W28-F92 AromaticContact CD1-CZ 3.69Å; L31-F92 HydrophobicContact CD1-CD2 4.14Å; L31-F92 HydrophobicContact CD1-CE2 3.83Å; L31-F92 HydrophobicContact CD2-CD2 3.99Å; L31-F92 HydrophobicContact CD2-CE2 3.71Å; L31-F92 HydrophobicContact CG-CD2 4.36Å; L31-F92 HydrophobicContact CG-CE2 3.77Å; M50-F92 HydrophobicContact CE-CB 3.7Å; M50-F92 HydrophobicContact CE-CG 4.34Å; M50-F92 HydrophobicContact CG-CB 4.09Å; M50-F92 HydrophobicContact CG-CD1 4.04Å; M50-F92 HydrophobicContact CG-CD2 3.79Å; M50-F92 HydrophobicContact CG-CE1 4.45Å; M50-F92 HydrophobicContact CG-CE2 4.24Å; M50-F92 HydrophobicContact CG-CG 3.69Å; M50-F92 HydrophobicContact SD-CB 3.81Å; M50-F92 HydrophobicContact SD-CD2 3.78Å; M50-F92 HydrophobicContact SD-CG 3.88Å; V58-F92 WeakPolarHBondContact CG1-O 3.49Å; M88-F92 CarbonylContact O-C 3.55Å; M88-F92 WeakPolarHBondContact O-CB 3.09Å; M88-F92 PolarHBondContact O-N 2.94Å; M88-F92 VanDerWaalsContact O-N 3.15Å; F92-A94 PolarHBondContact O-N 2.81Å
93N95.8Very high97.7Very high110 Ų11038.8 Ų38.859%0.58820%0.198SC*.  trans55.530.8-177.8-92.738.7000113.8M88 V89 K95M88-N93 PolarHBondContact O-N 3.11Å; V89-N93 VanDerWaalsContact O-CA 3.28Å; V89-N93 WeakPolarHBondContact O-CA 3.41Å; V89-N93 PolarHBondContact O-N 2.86Å; N93-K95 PolarHBondContact O-N 2.91Å
94A97.8Very high97.7Very high3 Ų337.3 Ų37.33%0.02520%0.2CC..  trans-56.9133-178.100000112.1M50 V58 M88 F92 L141M50-A94 HydrophobicContact CE-CB 3.81Å; V58-A94 CarbonylContact O-C 3.54Å; V58-A94 WeakPolarHBondContact O-CA 3.41Å; M88-A94 HydrophobicContact CB-CB 3.78Å; M88-A94 WeakPolarHBondContact O-CB 3.43Å; M88-A94 PolarHBondContact O-N 2.8Å; F92-A94 PolarHBondContact O-N 2.81Å; A94-L141 HydrophobicContact CB-CD1 3.79Å
95K97.5Very high97.6Very high81 Ų8140.3 Ų40.335%0.35222%0.215SC..SBendtrans-86.2-35-179.1-57.5-53.7-176.6-170.70112.8E57 V58 N93 L141 V142E57-K95 HydrophobicContact CG-CB 3.97Å; E57-K95 HydrophobicContact CG-CG 3.63Å; E57-K95 WeakPolarHBondContact OE2-CB 3.44Å; V58-K95 PolarHBondContact O-N 3.18Å; N93-K95 PolarHBondContact O-N 2.91Å; K95-L141 WeakPolarHBondContact O-CB 3.44Å; K95-L141 PolarHBondContact O-N 3.06Å; K95-V142 HydrophobicContact CD-CG2 4.1Å
96F98.3Very high97.5Very high25 Ų2550.3 Ų50.311%0.1125%0.253CS..EExtended strand (participates in β ladder)trans-145.1173.5173.964.1-87.9000110.5E57 H59 G60 K138 R139E57-F96 HydrophobicContact CB-CE1 4.25Å; H59-F96 WeakPolarHBondContact CA-O 3.31Å; H59-F96 HydrophobicContact CB-CD1 3.72Å; H59-F96 HydrophobicContact CB-CD2 3.69Å; H59-F96 HydrophobicContact CB-CE1 3.54Å; H59-F96 HydrophobicContact CB-CE2 3.52Å; H59-F96 HydrophobicContact CB-CG 3.79Å; H59-F96 HydrophobicContact CB-CZ 3.42Å; H59-F96 VanDerWaalsContact CB-CZ 3.42Å; H59-F96 VanDerWaalsContact CB-O 3.27Å; H59-F96 WeakPolarHBondContact CB-O 3.31Å; H59-F96 AromaticContact CD2-CD2 3.85Å; H59-F96 AromaticContact CD2-CE2 3.14Å; H59-F96 WeakPolarHBondContact CD2-CE2 3.31Å; H59-F96 AromaticContact CD2-CZ 3.55Å; H59-F96 AromaticContact CE1-CZ 3.88Å; H59-F96 AromaticContact CG-CD2 3.94Å; H59-F96 AromaticContact CG-CE1 3.84Å; H59-F96 AromaticContact CG-CE2 3.28Å; H59-F96 AromaticContact CG-CZ 3.21Å; H59-F96 AromaticContact ND1-CE2 3.91Å; H59-F96 AromaticContact ND1-CZ 3.45Å; H59-F96 WeakPolarHBondContact ND1-CZ 3.34Å; H59-F96 AromaticContact NE2-CE2 3.7Å; H59-F96 AromaticContact NE2-CZ 3.93Å; G60-F96 PolarHBondContact N-O 3.36Å; F96-K138 HydrophobicContact CD2-CB 4.25Å; F96-K138 HydrophobicContact CD2-CD 3.86Å; F96-K138 HydrophobicContact CD2-CG 3.98Å; F96-K138 HydrophobicContact CE2-CD 3.7Å; F96-K138 HydrophobicContact CE2-CG 4.12Å; F96-K138 HydrophobicContact CZ-CD 4.34Å; F96-R139 CarbonylContact C-O 3.59Å; F96-R139 WeakPolarHBondContact CA-O 3.44Å; F96-R139 VanDerWaalsContact CB-O 3.25Å; F96-R139 WeakPolarHBondContact CB-O 3.45Å
97V98.6Very high97.4Very high4 Ų453 Ų532%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-125.7135.3167.456.80000109.5G60 I62 M88 F118 K138 R139 L141G60-V97 CarbonylContact O-C 3.52Å; G60-V97 VanDerWaalsContact O-CA 3.27Å; G60-V97 WeakPolarHBondContact O-CA 3.28Å; I62-V97 HydrophobicContact CD1-CG2 3.79Å; I62-V97 HydrophobicContact CG1-CG2 3.66Å; M88-V97 HydrophobicContact CE-CG2 3.98Å; M88-V97 HydrophobicContact SD-CB 3.93Å; M88-V97 HydrophobicContact SD-CG2 3.74Å; V97-F118 HydrophobicContact CG1-CE1 4.05Å; V97-F118 HydrophobicContact CG1-CZ 3.67Å; V97-F118 WeakPolarHBondContact O-CE1 3.46Å; V97-K138 CarbonylContact O-C 3.49Å; V97-K138 WeakPolarHBondContact O-CA 3.42Å; V97-R139 HydrophobicContact CG1-CB 3.85Å; V97-R139 PolarHBondContact N-O 3.22Å; V97-R139 PolarHBondContact O-N 2.95Å; V97-L141 HydrophobicContact CB-CD1 4.1Å; V97-L141 HydrophobicContact CB-CD2 4.5Å; V97-L141 HydrophobicContact CB-CG 4.37Å; V97-L141 HydrophobicContact CG1-CD1 4.35Å; V97-L141 HydrophobicContact CG1-CD2 3.85Å; V97-L141 HydrophobicContact CG1-CG 4.15Å
98S98.4Very high97.3Very high15 Ų1553.5 Ų53.511%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-109.1156.5-179.866.80000112.2H59 G60 H61 I62 M137H59-S98 PolarHBondContact NE2-OG 3.12Å; G60-S98 PolarHBondContact O-N 2.93Å; G60-S98 PolarHBondContact O-OG 3.03Å; H61-S98 WeakPolarHBondContact CA-O 3.48Å; H61-S98 PolarHBondContact ND1-OG 2.99Å; I62-S98 PolarHBondContact N-O 3.12Å; S98-M137 CarbonylContact C-O 3.51Å; S98-M137 VanDerWaalsContact CA-O 3.24Å; S98-M137 WeakPolarHBondContact CA-O 3.21Å
99L98.6Very high97.3Very high3 Ų354.8 Ų54.82%0.01629%0.286CS..EExtended strand (participates in β ladder)trans-157.9163.3170.764.882.7000111.3I62 M81 V101 Y112 F118 A136 M137I62-L99 HydrophobicContact CB-CB 3.96Å; I62-L99 HydrophobicContact CG1-CB 4.47Å; I62-L99 HydrophobicContact CG1-CD2 4.5Å; M81-L99 HydrophobicContact CE-CD2 4.16Å; L99-V101 HydrophobicContact CD1-CB 4.1Å; L99-V101 HydrophobicContact CD1-CG1 4.24Å; L99-Y112 HydrophobicContact CD1-CD2 3.79Å; L99-Y112 HydrophobicContact CD1-CE2 3.69Å; L99-Y112 HydrophobicContact CD1-CG 4.35Å; L99-Y112 HydrophobicContact CD2-CD1 3.68Å; L99-Y112 HydrophobicContact CD2-CD2 4.15Å; L99-Y112 HydrophobicContact CD2-CE1 3.53Å; L99-Y112 HydrophobicContact CD2-CE2 3.97Å; L99-Y112 HydrophobicContact CD2-CG 4.02Å; L99-F118 HydrophobicContact CD2-CD1 3.93Å; L99-F118 HydrophobicContact CD2-CE1 3.47Å; L99-F118 VanDerWaalsContact CD2-CE1 3.47Å; L99-F118 HydrophobicContact CD2-CE2 4.26Å; L99-F118 HydrophobicContact CD2-CZ 3.66Å; L99-F118 HydrophobicContact CG-CD1 4.1Å; L99-F118 HydrophobicContact CG-CE1 3.83Å; L99-F118 HydrophobicContact CG-CZ 4.49Å; L99-A136 WeakPolarHBondContact O-CA 3.42Å; L99-M137 HydrophobicContact CD1-CB 3.95Å; L99-M137 HydrophobicContact CD1-CG 4.21Å; L99-M137 HydrophobicContact CD1-SD 4.22Å; L99-M137 HydrophobicContact CG-CB 4.22Å; L99-M137 PolarHBondContact N-O 3.49Å; L99-M137 PolarHBondContact O-N 2.59Å
100H98.4Very high97.2Very high46 Ų4657 Ų5721%0.21330%0.297CS..EExtended strand (participates in β ladder)trans-109.2141.1168.4-64.588.5000111.3H61 E124 Y127 A134 Y135H61-H100 AromaticContact CE1-CE1 3.98Å; H61-H100 AromaticContact CE1-ND1 3.52Å; H100-E124 IonicContact CD2-OE1 3.04Å; H100-E124 IonicContact CD2-OE2 2.7Å; H100-E124 PolarHBondContact CD2-OE2 3.26Å; H100-E124 IonicContact CE1-OE1 3.38Å; H100-E124 IonicContact NE2-OE1 2.8Å; H100-E124 PolarHBondContact NE2-OE1 2.82Å; H100-E124 IonicContact NE2-OE2 3.3Å; H100-E124 PolarHBondContact NE2-OE2 3.2Å; H100-Y127 HydrophobicContact CB-CD1 4.44Å; H100-Y127 HydrophobicContact CB-CE1 3.81Å; H100-Y127 AromaticContact CD2-CE2 3.92Å; H100-Y127 AromaticContact CD2-CZ 3.79Å; H100-Y127 AromaticContact CE1-CZ 3.98Å; H100-Y127 AromaticContact CG-CE1 3.84Å; H100-Y127 AromaticContact CG-CZ 3.66Å; H100-Y127 AromaticContact ND1-CZ 3.82Å; H100-Y127 PolarHBondContact ND1-OH 3Å; H100-Y127 AromaticContact NE2-CE2 3.87Å; H100-Y127 AromaticContact NE2-CZ 3.98Å; H100-A134 HydrophobicContact CB-CB 4.26Å; H100-Y135 WeakPolarHBondContact CA-O 3.45Å
101V98.3Very high97.2Very high4 Ų451.6 Ų51.62%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-138.9133.1174.6630000111.1L99 V103 N105 A108 L109 Y112 Y128 A134 Y135 M137L99-V101 HydrophobicContact CD1-CB 4.1Å; L99-V101 HydrophobicContact CD1-CG1 4.24Å; V101-V103 PolarHBondContact O-N 2.81Å; V101-N105 HydrophobicContact CG2-CB 4.1Å; V101-A108 HydrophobicContact CG2-CB 3.76Å; V101-L109 HydrophobicContact CG1-CD2 3.66Å; V101-L109 HydrophobicContact CG1-CG 4.42Å; V101-L109 HydrophobicContact CG2-CG 4.42Å; V101-Y112 HydrophobicContact CB-CD2 4.25Å; V101-Y112 HydrophobicContact CB-CE2 4.07Å; V101-Y112 HydrophobicContact CG1-CD2 4.38Å; V101-Y112 HydrophobicContact CG2-CD2 4.26Å; V101-Y112 HydrophobicContact CG2-CE2 4.03Å; V101-Y128 WeakPolarHBondContact CA-OH 3.42Å; V101-A134 WeakPolarHBondContact O-CA 3.42Å; V101-Y135 PolarHBondContact N-O 3.34Å; V101-Y135 PolarHBondContact O-N 2.86Å; V101-M137 HydrophobicContact CG1-CG 4.08Å; V101-M137 HydrophobicContact CG1-SD 3.57Å; V101-M137 VanDerWaalsContact CG1-SD 3.57Å
102R98.2Very high97.3Very high31 Ų3149.4 Ų49.412%0.11726%0.257CS..EExtended strand (participates in β ladder)trans-49.4130.1170.1-76.3178.2176.9-86.20.3110.9E14 S104 N105 Y128 D130 E132E14-R102 IonicContact OE1-CZ 3.08Å; E14-R102 VanDerWaalsContact OE1-CZ 3.3Å; E14-R102 IonicContact OE1-NE 3.54Å; E14-R102 PolarHBondContact OE1-NE 3.1Å; E14-R102 VanDerWaalsContact OE1-NE 3.08Å; E14-R102 IonicContact OE1-NH2 2.74Å; E14-R102 PolarHBondContact OE1-NH2 2.93Å; R102-S104 PolarHBondContact O-N 2.81Å; R102-S104 VanDerWaalsContact O-N 3.15Å; R102-N105 HydrophobicContact CB-CB 4.04Å; R102-N105 WeakPolarHBondContact O-CB 3.42Å; R102-N105 PolarHBondContact O-N 3.42Å; R102-Y128 HydrophobicContact CB-CE2 3.98Å; R102-Y128 HydrophobicContact CG-CD1 4.26Å; R102-Y128 HydrophobicContact CG-CD2 3.54Å; R102-Y128 HydrophobicContact CG-CE1 3.99Å; R102-Y128 HydrophobicContact CG-CE2 3.2Å; R102-Y128 HydrophobicContact CG-CG 4.06Å; R102-Y128 VanDerWaalsContact CG-CZ 3.46Å; R102-Y128 PolarHBondContact N-OH 3.12Å; R102-Y128 VanDerWaalsContact N-OH 3.09Å; R102-D130 IonicContact CZ-OD1 3.52Å; R102-D130 IonicContact CZ-OD2 3.6Å; R102-D130 IonicContact NH1-OD1 2.89Å; R102-D130 PolarHBondContact NH1-OD1 2.94Å; R102-D130 IonicContact NH1-OD2 2.8Å; R102-D130 PolarHBondContact NH1-OD2 3.31Å; R102-D130 IonicContact NH2-OD1 3.22Å; R102-D130 PolarHBondContact NH2-OD1 3.42Å; R102-D130 IonicContact NH2-OD2 3.57Å; R102-E132 WeakPolarHBondContact CB-OE1 3.28Å; R102-E132 WeakPolarHBondContact CD-OE2 3.44Å; R102-E132 WeakPolarHBondContact CG-OE2 3.45Å; R102-E132 IonicContact CZ-OE2 3.69Å; R102-E132 IonicContact NE-OE2 3.94Å; R102-E132 IonicContact NH1-OE2 2.71Å; R102-E132 PolarHBondContact NH1-OE2 3.32Å
103V97.7Very high97.3Very high48 Ų4848.8 Ų48.829%0.29126%0.258SS..THydrogen-bonded Turntrans-58.6-28.3179.6-63.30000112.7V101 L109 E132 D133 Y135V101-V103 PolarHBondContact O-N 2.81Å; V103-L109 WeakPolarHBondContact O-CD1 3.17Å; V103-E132 HydrophobicContact CG2-CG 3.93Å; V103-E132 WeakPolarHBondContact CG2-OE1 3.49Å; V103-E132 PolarHBondContact N-OE1 3.4Å; V103-D133 HydrophobicContact CG1-CB 3.95Å; V103-D133 HydrophobicContact CG2-CB 4.46Å; V103-D133 PolarHBondContact N-O 2.79Å; V103-Y135 HydrophobicContact CB-CD2 4.23Å; V103-Y135 HydrophobicContact CB-CE2 3.81Å; V103-Y135 HydrophobicContact CG1-CD1 4.45Å; V103-Y135 HydrophobicContact CG1-CD2 3.75Å; V103-Y135 HydrophobicContact CG1-CE1 4.3Å; V103-Y135 HydrophobicContact CG1-CE2 3.59Å; V103-Y135 HydrophobicContact CG1-CG 4.2Å
104S97.6Very high97.3Very high79 Ų7950.7 Ų50.755%0.55226%0.263SS*.THydrogen-bonded Turntrans-80-14.1177.167.10000114.5R102 R106 E132R102-S104 PolarHBondContact O-N 2.81Å; R102-S104 VanDerWaalsContact O-N 3.15Å; S104-R106 VanDerWaalsContact C-N 3.31Å; S104-R106 PolarHBondContact O-N 3Å; S104-E132 WeakPolarHBondContact CB-OE1 3.36Å; S104-E132 PolarHBondContact N-OE1 2.84Å; S104-E132 PolarHBondContact OG-OE1 2.96Å; S104-E132 PolarHBondContact OG-OE2 3.25Å
105N96.5Very high97.2Very high63 Ų6353.6 Ų53.634%0.33728%0.28SS..  trans-81.573.1-173-170-10.6000112.4V101 R102 A107 A108 L109V101-N105 HydrophobicContact CG2-CB 4.1Å; R102-N105 HydrophobicContact CB-CB 4.04Å; R102-N105 WeakPolarHBondContact O-CB 3.42Å; R102-N105 PolarHBondContact O-N 3.42Å; N105-A107 PolarHBondContact O-N 2.84Å; N105-A107 VanDerWaalsContact O-N 3.16Å; N105-A108 HydrophobicContact CB-CB 4.3Å; N105-A108 VanDerWaalsContact CG-CB 3.45Å; N105-A108 WeakPolarHBondContact ND2-CB 3.39Å; N105-A108 PolarHBondContact O-N 3.09Å; N105-A108 WeakPolarHBondContact OD1-CB 3.23Å; N105-A108 PolarHBondContact OD1-N 3.03Å; N105-A108 VanDerWaalsContact OD1-N 3.14Å; N105-L109 WeakPolarHBondContact O-CB 3.11Å; N105-L109 WeakPolarHBondContact O-CG 2.86Å; N105-L109 PolarHBondContact O-N 2.92Å
106R95.9Very high97.1Very high213 Ų21349.9 Ų49.980%0.80426%0.264SS*.Hα-helixtrans-55.3-34.1-178.5-64.7-175177.7-175.2-1.1114.1S104 N110S104-R106 VanDerWaalsContact C-N 3.31Å; S104-R106 PolarHBondContact O-N 3Å; R106-N110 WeakPolarHBondContact O-CB 3.42Å; R106-N110 PolarHBondContact O-N 3.15Å
107A94.6Very high97.1Very high74 Ų7450.9 Ų50.961%0.61228%0.282SS*.Hα-helixtrans-69.2-45.9-179.100000111.7N105 L111N105-A107 PolarHBondContact O-N 2.84Å; N105-A107 VanDerWaalsContact O-N 3.16Å; A107-L111 PolarHBondContact O-N 3.38Å
108A96.3Very high97Very high14 Ų1450.9 Ų50.912%0.11628%0.282CS..Hα-helixtrans-69.1-41.8176.200000111.2V101 N105 N110 L111 Y112V101-A108 HydrophobicContact CG2-CB 3.76Å; N105-A108 HydrophobicContact CB-CB 4.3Å; N105-A108 VanDerWaalsContact CG-CB 3.45Å; N105-A108 WeakPolarHBondContact ND2-CB 3.39Å; N105-A108 PolarHBondContact O-N 3.09Å; N105-A108 WeakPolarHBondContact OD1-CB 3.23Å; N105-A108 PolarHBondContact OD1-N 3.03Å; N105-A108 VanDerWaalsContact OD1-N 3.14Å; A108-N110 VanDerWaalsContact C-N 3.33Å; A108-N110 PolarHBondContact O-N 3.04Å; A108-L111 WeakPolarHBondContact O-CB 3.49Å; A108-L111 PolarHBondContact O-N 3.33Å; A108-L111 VanDerWaalsContact O-N 3.16Å; A108-Y112 HydrophobicContact CB-CD2 4.14Å; A108-Y112 HydrophobicContact CB-CE2 3.75Å; A108-Y112 WeakPolarHBondContact O-CD2 3.29Å; A108-Y112 VanDerWaalsContact O-CG 3.31Å; A108-Y112 PolarHBondContact O-N 3.28Å
109L97.3Very high97Very high27 Ų2757.4 Ų57.414%0.14131%0.31CS..Hα-helixtrans-56.1-46.6175.5-75.2168.9000112V101 V103 N105 L111 Y112 T113 Y135 M137V101-L109 HydrophobicContact CG1-CD2 3.66Å; V101-L109 HydrophobicContact CG1-CG 4.42Å; V101-L109 HydrophobicContact CG2-CG 4.42Å; V103-L109 WeakPolarHBondContact O-CD1 3.17Å; N105-L109 WeakPolarHBondContact O-CB 3.11Å; N105-L109 WeakPolarHBondContact O-CG 2.86Å; N105-L109 PolarHBondContact O-N 2.92Å; L109-L111 PolarHBondContact O-N 3.41Å; L109-Y112 PolarHBondContact O-N 3.08Å; L109-T113 WeakPolarHBondContact O-CB 3.47Å; L109-T113 WeakPolarHBondContact O-CG2 3.32Å; L109-T113 PolarHBondContact O-N 3.4Å; L109-T113 PolarHBondContact O-OG1 2.84Å; L109-Y135 HydrophobicContact CD1-CD2 4.43Å; L109-Y135 HydrophobicContact CD1-CE2 4.3Å; L109-Y135 HydrophobicContact CD2-CD2 3.77Å; L109-Y135 HydrophobicContact CD2-CE2 4.3Å; L109-M137 HydrophobicContact CD2-SD 4.21Å
110N96.3Very high97Very high79 Ų7961.2 Ų61.242%0.42233%0.33SS..Hα-helixtrans-60.6-45.9176.7-173.98.6000112R106 A108 H114R106-N110 WeakPolarHBondContact O-CB 3.42Å; R106-N110 PolarHBondContact O-N 3.15Å; A108-N110 VanDerWaalsContact C-N 3.33Å; A108-N110 PolarHBondContact O-N 3.04Å; N110-H114 WeakPolarHBondContact O-CB 3.14Å; N110-H114 PolarHBondContact O-N 3.38Å; N110-H114 PolarHBondContact OD1-ND1 3.23Å
111L96.5Very high96.9Very high37 Ų3762.1 Ų62.119%0.19434%0.342CS..Iπ-helixtrans-57.6-53.8175.6172.970.4000111.4L65 A77 A107 A108 L109 T115 L116L65-L111 HydrophobicContact CD2-CD2 4.08Å; A77-L111 HydrophobicContact CB-CD1 4.38Å; A77-L111 HydrophobicContact CB-CD2 3.7Å; A107-L111 PolarHBondContact O-N 3.38Å; A108-L111 WeakPolarHBondContact O-CB 3.49Å; A108-L111 PolarHBondContact O-N 3.33Å; A108-L111 VanDerWaalsContact O-N 3.16Å; L109-L111 PolarHBondContact O-N 3.41Å; L111-T115 HydrophobicContact CD1-CG2 4.19Å; L111-T115 WeakPolarHBondContact O-CA 3.15Å; L111-T115 VanDerWaalsContact O-CB 3.23Å; L111-T115 WeakPolarHBondContact O-CB 3.49Å; L111-T115 PolarHBondContact O-N 3.08Å; L111-T115 VanDerWaalsContact O-N 3.15Å; L111-L116 HydrophobicContact CD1-CD1 4.16Å; L111-L116 HydrophobicContact CD1-CG 4.35Å; L111-L116 HydrophobicContact CD2-CD1 4.41Å; L111-L116 HydrophobicContact CG-CD1 3.95Å; L111-L116 HydrophobicContact CG-CG 4.5Å; L111-L116 PolarHBondContact O-N 2.7Å
112Y97.8Very high96.9Very high20 Ų2067 Ų678%0.07836%0.364CS..Iπ-helixtrans-64.6-46.8-174.8-63-41.2000111.6L65 M81 L99 V101 A108 L109 L116 G117 F118 M137L65-Y112 HydrophobicContact CD2-CE1 3.83Å; M81-Y112 HydrophobicContact CE-CD1 4.47Å; M81-Y112 HydrophobicContact CE-CE1 4.13Å; L99-Y112 HydrophobicContact CD1-CD2 3.79Å; L99-Y112 HydrophobicContact CD1-CE2 3.69Å; L99-Y112 HydrophobicContact CD1-CG 4.35Å; L99-Y112 HydrophobicContact CD2-CD1 3.68Å; L99-Y112 HydrophobicContact CD2-CD2 4.15Å; L99-Y112 HydrophobicContact CD2-CE1 3.53Å; L99-Y112 HydrophobicContact CD2-CE2 3.97Å; L99-Y112 HydrophobicContact CD2-CG 4.02Å; V101-Y112 HydrophobicContact CB-CD2 4.25Å; V101-Y112 HydrophobicContact CB-CE2 4.07Å; V101-Y112 HydrophobicContact CG1-CD2 4.38Å; V101-Y112 HydrophobicContact CG2-CD2 4.26Å; V101-Y112 HydrophobicContact CG2-CE2 4.03Å; A108-Y112 HydrophobicContact CB-CD2 4.14Å; A108-Y112 HydrophobicContact CB-CE2 3.75Å; A108-Y112 WeakPolarHBondContact O-CD2 3.29Å; A108-Y112 VanDerWaalsContact O-CG 3.31Å; A108-Y112 PolarHBondContact O-N 3.28Å; L109-Y112 PolarHBondContact O-N 3.08Å; Y112-L116 HydrophobicContact CD1-CD1 4Å; Y112-L116 HydrophobicContact CE1-CD1 4.45Å; Y112-L116 CarbonylContact O-C 3.59Å; Y112-G117 PolarHBondContact O-N 3.08Å; Y112-G117 VanDerWaalsContact O-N 3.09Å; Y112-F118 HydrophobicContact CD1-CD2 4.4Å; Y112-F118 WeakPolarHBondContact O-CB 3.05Å; Y112-F118 PolarHBondContact O-N 2.89Å; Y112-M137 HydrophobicContact CD2-SD 4.17Å; Y112-M137 HydrophobicContact CG-SD 4.43Å
113T97.5Very high96.9Very high48 Ų4869.2 Ų69.229%0.29438%0.381SS..Iπ-helixtrans-73.4-56.7-177.7530000113.1L109 G117 M137L109-T113 WeakPolarHBondContact O-CB 3.47Å; L109-T113 WeakPolarHBondContact O-CG2 3.32Å; L109-T113 PolarHBondContact O-N 3.4Å; L109-T113 PolarHBondContact O-OG1 2.84Å; T113-G117 PolarHBondContact O-N 3.24Å; T113-M137 HydrophobicContact CG2-CE 3.45Å; T113-M137 VanDerWaalsContact CG2-CE 3.45Å
114H95.7Very high96.9Very high151 Ų15169.1 Ų69.170%0.69938%0.377SS*.Iπ-helixtrans-89.9-26.1-166.9-62.382.4000113.5N110N110-H114 WeakPolarHBondContact O-CB 3.14Å; N110-H114 PolarHBondContact O-N 3.38Å; N110-H114 PolarHBondContact OD1-ND1 3.23Å
115T94.7Very high96.9Very high63 Ų6370.2 Ų70.239%0.38738%0.383SS..Iπ-helixtrans-99.7-40.2-178.3-49.90000111.9Q78 L111Q78-T115 HydrophobicContact CB-CG2 4.17Å; Q78-T115 HydrophobicContact CG-CG2 4.08Å; L111-T115 HydrophobicContact CD1-CG2 4.19Å; L111-T115 WeakPolarHBondContact O-CA 3.15Å; L111-T115 VanDerWaalsContact O-CB 3.23Å; L111-T115 WeakPolarHBondContact O-CB 3.49Å; L111-T115 PolarHBondContact O-N 3.08Å; L111-T115 VanDerWaalsContact O-N 3.15Å
116L96.6Very high96.9Very high3 Ų375.1 Ų75.12%0.01640%0.401CS..THydrogen-bonded Turntrans-104.6-7.7-173.1-66.1175000113.8Q78 M81 L111 Y112 F118 R139Q78-L116 HydrophobicContact CB-CD2 4.27Å; Q78-L116 HydrophobicContact CG-CD2 3.88Å; M81-L116 HydrophobicContact CB-CD1 3.81Å; M81-L116 HydrophobicContact CB-CD2 4.08Å; M81-L116 HydrophobicContact CE-CD1 4.01Å; M81-L116 HydrophobicContact CG-CD1 3.77Å; L111-L116 HydrophobicContact CD1-CD1 4.16Å; L111-L116 HydrophobicContact CD1-CG 4.35Å; L111-L116 HydrophobicContact CD2-CD1 4.41Å; L111-L116 HydrophobicContact CG-CD1 3.95Å; L111-L116 HydrophobicContact CG-CG 4.5Å; L111-L116 PolarHBondContact O-N 2.7Å; Y112-L116 HydrophobicContact CD1-CD1 4Å; Y112-L116 HydrophobicContact CE1-CD1 4.45Å; Y112-L116 CarbonylContact O-C 3.59Å; L116-F118 VanDerWaalsContact C-N 3.32Å; L116-F118 HydrophobicContact CB-CD2 3.71Å; L116-F118 HydrophobicContact CB-CE2 3.94Å; L116-F118 HydrophobicContact CD1-CE2 4.37Å; L116-F118 PolarHBondContact O-N 3.05Å; L116-R139 WeakPolarHBondContact O-CD 3.44Å; L116-R139 VanDerWaalsContact O-CZ 3.29Å; L116-R139 PolarHBondContact O-NE 3.04Å
117G96.7Very high97Very high46 Ų4670.1 Ų70.147%0.47438%0.383SS..  trans70.524.817600000114.5Y112 T113Y112-G117 PolarHBondContact O-N 3.08Å; Y112-G117 VanDerWaalsContact O-N 3.09Å; T113-G117 PolarHBondContact O-N 3.24Å
118F98.4Very high97.1Very high5 Ų567.9 Ų67.92%0.02236%0.359CS..  trans-71144.4168.7-78.1-104.5000110.8M81 V97 L99 Y112 L116 M137 K138 R139M81-F118 HydrophobicContact CE-CE2 3.65Å; M81-F118 HydrophobicContact CE-CZ 3.62Å; V97-F118 HydrophobicContact CG1-CE1 4.05Å; V97-F118 HydrophobicContact CG1-CZ 3.67Å; V97-F118 WeakPolarHBondContact O-CE1 3.46Å; L99-F118 HydrophobicContact CD2-CD1 3.93Å; L99-F118 HydrophobicContact CD2-CE1 3.47Å; L99-F118 VanDerWaalsContact CD2-CE1 3.47Å; L99-F118 HydrophobicContact CD2-CE2 4.26Å; L99-F118 HydrophobicContact CD2-CZ 3.66Å; L99-F118 HydrophobicContact CG-CD1 4.1Å; L99-F118 HydrophobicContact CG-CE1 3.83Å; L99-F118 HydrophobicContact CG-CZ 4.49Å; Y112-F118 HydrophobicContact CD1-CD2 4.4Å; Y112-F118 WeakPolarHBondContact O-CB 3.05Å; Y112-F118 PolarHBondContact O-N 2.89Å; L116-F118 VanDerWaalsContact C-N 3.32Å; L116-F118 HydrophobicContact CB-CD2 3.71Å; L116-F118 HydrophobicContact CB-CE2 3.94Å; L116-F118 HydrophobicContact CD1-CE2 4.37Å; L116-F118 PolarHBondContact O-N 3.05Å; F118-M137 HydrophobicContact CB-CB 4.19Å; F118-M137 HydrophobicContact CB-CE 3.69Å; F118-M137 HydrophobicContact CB-SD 4.49Å; F118-M137 HydrophobicContact CD1-CB 3.91Å; F118-M137 HydrophobicContact CG-CB 4.49Å; F118-K138 CarbonylContact C-O 3.54Å; F118-K138 WeakPolarHBondContact CA-O 3.45Å; F118-R139 HydrophobicContact CD1-CB 3.78Å; F118-R139 HydrophobicContact CD2-CB 3.73Å; F118-R139 HydrophobicContact CD2-CG 4.35Å; F118-R139 HydrophobicContact CE1-CB 3.76Å; F118-R139 HydrophobicContact CE2-CB 3.71Å; F118-R139 HydrophobicContact CE2-CG 4.31Å; F118-R139 HydrophobicContact CG-CB 3.76Å; F118-R139 HydrophobicContact CZ-CB 3.73Å
119Q98.1Very high97Very high152 Ų15272.8 Ų72.871%0.7140%0.399SS*.EExtended strand (participates in β ladder)trans-114.8145.9173.8-62.6-179.1-13.700109.6S121 M137 K138Q119-S121 PolarHBondContact O-N 3.05Å; Q119-M137 CarbonylContact O-C 3.55Å; Q119-M137 WeakPolarHBondContact O-CA 3.15Å; Q119-K138 PolarHBondContact N-O 3.02Å; Q119-K138 PolarHBondContact O-N 3.48Å
120I98.2Very high96.9Very high82 Ų8276.7 Ų76.742%0.42142%0.42SS..EExtended strand (participates in β ladder)trans-72.9122.1173.9-61.2170.7000107.6Y135 M137I120-Y135 HydrophobicContact CD1-CD1 3.88Å; I120-Y135 HydrophobicContact CD1-CD2 4.33Å; I120-Y135 HydrophobicContact CD1-CE1 4Å; I120-Y135 HydrophobicContact CD1-CE2 4.42Å; I120-Y135 HydrophobicContact CD1-CG 4.05Å; I120-Y135 HydrophobicContact CG1-CD1 4.26Å; I120-Y135 HydrophobicContact CG1-CG 4.28Å; I120-Y135 HydrophobicContact CG2-CD1 3.55Å; I120-Y135 HydrophobicContact CG2-CE1 4.24Å; I120-Y135 HydrophobicContact CG2-CG 4.21Å; I120-M137 HydrophobicContact CG1-CE 4.02Å; I120-M137 HydrophobicContact CG1-CG 4.3Å
121S97.2Very high96.9Very high66 Ų6674.6 Ų74.646%0.46242%0.418SS..EExtended strand (participates in β ladder)trans-88.4-47.9176.4-172.10000110.5Q119 A136Q119-S121 PolarHBondContact O-N 3.05Å; S121-A136 PolarHBondContact N-O 2.94Å
122E97.1Very high97Very high107 Ų10774.6 Ų74.650%0.542%0.417SS..EExtended strand (participates in β ladder)trans-156.2167.1-177.259.2-173.716600111.6E124 A136E122-E124 HydrophobicContact CG-CG 4.42Å; E122-A136 HydrophobicContact CG-CB 3.61Å; E122-A136 PolarHBondContact N-O 3.13Å; E122-A136 PolarHBondContact O-N 3.44Å
123V98.1Very high97Very high77 Ų7776.6 Ų76.647%0.46743%0.428SS..EExtended strand (participates in β ladder)trans-107.8122.3171.1-174.10000107.6P125 D133 A134 Y135V123-P125 WeakPolarHBondContact O-CD 3.24Å; V123-D133 HydrophobicContact CG1-CB 4.19Å; V123-A134 CarbonylContact C-O 3.44Å; V123-A134 WeakPolarHBondContact CA-O 3.44Å; V123-Y135 HydrophobicContact CG2-CD1 3.81Å; V123-Y135 HydrophobicContact CG2-CE1 3.66Å
124E97.6Very high97Very high45 Ų4574.3 Ų74.321%0.2141%0.414CS..EExtended strand (participates in β ladder)trans-98.6108.9177.4-68.3-173.9-164.200109.8H100 E122 Y127 D133 A134H100-E124 IonicContact CD2-OE1 3.04Å; H100-E124 IonicContact CD2-OE2 2.7Å; H100-E124 PolarHBondContact CD2-OE2 3.26Å; H100-E124 IonicContact CE1-OE1 3.38Å; H100-E124 IonicContact NE2-OE1 2.8Å; H100-E124 PolarHBondContact NE2-OE1 2.82Å; H100-E124 IonicContact NE2-OE2 3.3Å; H100-E124 PolarHBondContact NE2-OE2 3.2Å; E122-E124 HydrophobicContact CG-CG 4.42Å; E124-Y127 HydrophobicContact CB-CD2 4.29Å; E124-Y127 WeakPolarHBondContact OE2-CD2 3.38Å; E124-Y127 WeakPolarHBondContact OE2-CE2 3.3Å; E124-D133 WeakPolarHBondContact O-CA 3.38Å; E124-A134 HydrophobicContact CB-CB 4.43Å; E124-A134 PolarHBondContact N-O 2.8Å; E124-A134 PolarHBondContact O-N 3.27Å
125P97.6Very high97.2Very high103 Ų10370.2 Ų70.267%0.66939%0.393SS*.THydrogen-bonded Turntrans-70.3134.2-175.128-33.9000111.2V123 Y127 D133V123-P125 WeakPolarHBondContact O-CD 3.24Å; P125-Y127 PolarHBondContact O-N 3.33Å; P125-D133 VanDerWaalsContact CA-OD1 3.28Å; P125-D133 WeakPolarHBondContact CA-OD1 3.5Å
126K96.8Very high97.3Very high165 Ų16567.6 Ų67.672%0.71738%0.378SS*.THydrogen-bonded Turntrans52.837.8177.8-55.3178.4-179.2177.40113.8D133K126-D133 PolarHBondContact N-OD1 2.99Å
127Y97.3Very high97.4Very high108 Ų10867.5 Ų67.542%0.42438%0.377SS..  trans-63.3-42.5-179.7-177.4-102.2000112.5H100 E124 P125 E132 A134H100-Y127 HydrophobicContact CB-CD1 4.44Å; H100-Y127 HydrophobicContact CB-CE1 3.81Å; H100-Y127 AromaticContact CD2-CE2 3.92Å; H100-Y127 AromaticContact CD2-CZ 3.79Å; H100-Y127 AromaticContact CE1-CZ 3.98Å; H100-Y127 AromaticContact CG-CE1 3.84Å; H100-Y127 AromaticContact CG-CZ 3.66Å; H100-Y127 AromaticContact ND1-CZ 3.82Å; H100-Y127 PolarHBondContact ND1-OH 3Å; H100-Y127 AromaticContact NE2-CE2 3.87Å; H100-Y127 AromaticContact NE2-CZ 3.98Å; E124-Y127 HydrophobicContact CB-CD2 4.29Å; E124-Y127 WeakPolarHBondContact OE2-CD2 3.38Å; E124-Y127 WeakPolarHBondContact OE2-CE2 3.3Å; P125-Y127 PolarHBondContact O-N 3.33Å; Y127-E132 PolarHBondContact N-O 2.91Å; Y127-A134 HydrophobicContact CD1-CB 3.63Å; Y127-A134 HydrophobicContact CE1-CB 4.46Å; Y127-A134 HydrophobicContact CG-CB 3.69Å
128Y96.6Very high97.5Very high27 Ų2769.1 Ų69.111%0.10637%0.372CS..SBendtrans-85.3153.8-178.8-64.1-78.1000111.9E14 V101 R102 D130 G131 E132 A134E14-Y128 HydrophobicContact CG-CD1 4.21Å; E14-Y128 HydrophobicContact CG-CE1 4.16Å; V101-Y128 WeakPolarHBondContact CA-OH 3.42Å; R102-Y128 HydrophobicContact CB-CE2 3.98Å; R102-Y128 HydrophobicContact CG-CD1 4.26Å; R102-Y128 HydrophobicContact CG-CD2 3.54Å; R102-Y128 HydrophobicContact CG-CE1 3.99Å; R102-Y128 HydrophobicContact CG-CE2 3.2Å; R102-Y128 HydrophobicContact CG-CG 4.06Å; R102-Y128 VanDerWaalsContact CG-CZ 3.46Å; R102-Y128 PolarHBondContact N-OH 3.12Å; R102-Y128 VanDerWaalsContact N-OH 3.09Å; Y128-D130 WeakPolarHBondContact CB-OD1 3.31Å; Y128-D130 PolarHBondContact O-N 3.48Å; Y128-D130 VanDerWaalsContact O-N 3.14Å; Y128-G131 WeakPolarHBondContact O-CA 3.48Å; Y128-G131 PolarHBondContact O-N 3.28Å; Y128-E132 HydrophobicContact CD2-CB 4.34Å; Y128-E132 WeakPolarHBondContact CD2-O 3.38Å; Y128-E132 PolarHBondContact N-O 3.01Å; Y128-A134 HydrophobicContact CD2-CB 4.26Å; Y128-A134 HydrophobicContact CE2-CB 3.56Å
129A94.2Very high97.5Very high117 Ų11770 Ų7097%0.96738%0.375SS*.THydrogen-bonded Turntrans-62.4-23.8-174.100000114.6
130D95.8Very high97.5Very high109 Ų10967.1 Ų67.158%0.58336%0.364SS*.THydrogen-bonded Turntrans-83.52.5173.458.4-17.8000113.3R102 Y128R102-D130 IonicContact CZ-OD1 3.52Å; R102-D130 IonicContact CZ-OD2 3.6Å; R102-D130 IonicContact NH1-OD1 2.89Å; R102-D130 PolarHBondContact NH1-OD1 2.94Å; R102-D130 IonicContact NH1-OD2 2.8Å; R102-D130 PolarHBondContact NH1-OD2 3.31Å; R102-D130 IonicContact NH2-OD1 3.22Å; R102-D130 PolarHBondContact NH2-OD1 3.42Å; R102-D130 IonicContact NH2-OD2 3.57Å; Y128-D130 WeakPolarHBondContact CB-OD1 3.31Å; Y128-D130 PolarHBondContact O-N 3.48Å; Y128-D130 VanDerWaalsContact O-N 3.14Å
131G96.7Very high97.5Very high36 Ų3663.2 Ų63.237%0.37134%0.344SS..SBendtrans84.66.2178.800000114.1Y128Y128-G131 WeakPolarHBondContact O-CA 3.48Å; Y128-G131 PolarHBondContact O-N 3.28Å
132E97.8Very high97.3Very high37 Ų3763 Ų6317%0.17334%0.34CS..  trans-69.9139173.4-164.4-176.4171.800110.6R102 V103 S104 Y127 Y128R102-E132 WeakPolarHBondContact CB-OE1 3.28Å; R102-E132 WeakPolarHBondContact CD-OE2 3.44Å; R102-E132 WeakPolarHBondContact CG-OE2 3.45Å; R102-E132 IonicContact CZ-OE2 3.69Å; R102-E132 IonicContact NE-OE2 3.94Å; R102-E132 IonicContact NH1-OE2 2.71Å; R102-E132 PolarHBondContact NH1-OE2 3.32Å; V103-E132 HydrophobicContact CG2-CG 3.93Å; V103-E132 WeakPolarHBondContact CG2-OE1 3.49Å; V103-E132 PolarHBondContact N-OE1 3.4Å; S104-E132 WeakPolarHBondContact CB-OE1 3.36Å; S104-E132 PolarHBondContact N-OE1 2.84Å; S104-E132 PolarHBondContact OG-OE1 2.96Å; S104-E132 PolarHBondContact OG-OE2 3.25Å; Y127-E132 PolarHBondContact N-O 2.91Å; Y128-E132 HydrophobicContact CD2-CB 4.34Å; Y128-E132 WeakPolarHBondContact CD2-O 3.38Å; Y128-E132 PolarHBondContact N-O 3.01Å
133D98.3Very high97.1Very high61 Ų6159.9 Ų59.933%0.32633%0.332SS..  trans-70.2156173.1-60.2-15.5000111.1V103 V123 E124 P125 K126V103-D133 HydrophobicContact CG1-CB 3.95Å; V103-D133 HydrophobicContact CG2-CB 4.46Å; V103-D133 PolarHBondContact N-O 2.79Å; V123-D133 HydrophobicContact CG1-CB 4.19Å; E124-D133 WeakPolarHBondContact O-CA 3.38Å; P125-D133 VanDerWaalsContact CA-OD1 3.28Å; P125-D133 WeakPolarHBondContact CA-OD1 3.5Å; K126-D133 PolarHBondContact N-OD1 2.99Å
134A98.3Very high96.9Very high0 Ų057 Ų570%031%0.313CS..EExtended strand (participates in β ladder)trans-113.7145.6170.500000111.1H100 V101 V123 E124 Y127 Y128H100-A134 HydrophobicContact CB-CB 4.26Å; V101-A134 WeakPolarHBondContact O-CA 3.42Å; V123-A134 CarbonylContact C-O 3.44Å; V123-A134 WeakPolarHBondContact CA-O 3.44Å; E124-A134 HydrophobicContact CB-CB 4.43Å; E124-A134 PolarHBondContact N-O 2.8Å; E124-A134 PolarHBondContact O-N 3.27Å; Y127-A134 HydrophobicContact CD1-CB 3.63Å; Y127-A134 HydrophobicContact CE1-CB 4.46Å; Y127-A134 HydrophobicContact CG-CB 3.69Å; Y128-A134 HydrophobicContact CD2-CB 4.26Å; Y128-A134 HydrophobicContact CE2-CB 3.56Å
135Y98.6Very high96.7Very high66 Ų6656.1 Ų56.126%0.25931%0.314SS..EExtended strand (participates in β ladder)trans-85.2123.2155.4-67.6-61.3000108.5H100 V101 V103 L109 I120 V123H100-Y135 WeakPolarHBondContact CA-O 3.45Å; V101-Y135 PolarHBondContact N-O 3.34Å; V101-Y135 PolarHBondContact O-N 2.86Å; V103-Y135 HydrophobicContact CB-CD2 4.23Å; V103-Y135 HydrophobicContact CB-CE2 3.81Å; V103-Y135 HydrophobicContact CG1-CD1 4.45Å; V103-Y135 HydrophobicContact CG1-CD2 3.75Å; V103-Y135 HydrophobicContact CG1-CE1 4.3Å; V103-Y135 HydrophobicContact CG1-CE2 3.59Å; V103-Y135 HydrophobicContact CG1-CG 4.2Å; L109-Y135 HydrophobicContact CD1-CD2 4.43Å; L109-Y135 HydrophobicContact CD1-CE2 4.3Å; L109-Y135 HydrophobicContact CD2-CD2 3.77Å; L109-Y135 HydrophobicContact CD2-CE2 4.3Å; I120-Y135 HydrophobicContact CD1-CD1 3.88Å; I120-Y135 HydrophobicContact CD1-CD2 4.33Å; I120-Y135 HydrophobicContact CD1-CE1 4Å; I120-Y135 HydrophobicContact CD1-CE2 4.42Å; I120-Y135 HydrophobicContact CD1-CG 4.05Å; I120-Y135 HydrophobicContact CG1-CD1 4.26Å; I120-Y135 HydrophobicContact CG1-CG 4.28Å; I120-Y135 HydrophobicContact CG2-CD1 3.55Å; I120-Y135 HydrophobicContact CG2-CE1 4.24Å; I120-Y135 HydrophobicContact CG2-CG 4.21Å; V123-Y135 HydrophobicContact CG2-CD1 3.81Å; V123-Y135 HydrophobicContact CG2-CE1 3.66Å
136A98.3Very high96.4Very high8 Ų858.3 Ų58.37%0.06631%0.313CS..EExtended strand (participates in β ladder)trans-81.6123161.800000107.8L99 S121 E122L99-A136 WeakPolarHBondContact O-CA 3.42Å; S121-A136 PolarHBondContact N-O 2.94Å; E122-A136 HydrophobicContact CG-CB 3.61Å; E122-A136 PolarHBondContact N-O 3.13Å; E122-A136 PolarHBondContact O-N 3.44Å
137M98.6Very high96.1Very high0 Ų056.3 Ų56.30%031%0.306CS..EExtended strand (participates in β ladder)trans-119.8145.3-175.5-59.2-170.778.200111S98 L99 V101 L109 Y112 T113 F118 Q119 I120S98-M137 CarbonylContact C-O 3.51Å; S98-M137 VanDerWaalsContact CA-O 3.24Å; S98-M137 WeakPolarHBondContact CA-O 3.21Å; L99-M137 HydrophobicContact CD1-CB 3.95Å; L99-M137 HydrophobicContact CD1-CG 4.21Å; L99-M137 HydrophobicContact CD1-SD 4.22Å; L99-M137 HydrophobicContact CG-CB 4.22Å; L99-M137 PolarHBondContact N-O 3.49Å; L99-M137 PolarHBondContact O-N 2.59Å; V101-M137 HydrophobicContact CG1-CG 4.08Å; V101-M137 HydrophobicContact CG1-SD 3.57Å; V101-M137 VanDerWaalsContact CG1-SD 3.57Å; L109-M137 HydrophobicContact CD2-SD 4.21Å; Y112-M137 HydrophobicContact CD2-SD 4.17Å; Y112-M137 HydrophobicContact CG-SD 4.43Å; T113-M137 HydrophobicContact CG2-CE 3.45Å; T113-M137 VanDerWaalsContact CG2-CE 3.45Å; F118-M137 HydrophobicContact CB-CB 4.19Å; F118-M137 HydrophobicContact CB-CE 3.69Å; F118-M137 HydrophobicContact CB-SD 4.49Å; F118-M137 HydrophobicContact CD1-CB 3.91Å; F118-M137 HydrophobicContact CG-CB 4.49Å; Q119-M137 CarbonylContact O-C 3.55Å; Q119-M137 WeakPolarHBondContact O-CA 3.15Å; I120-M137 HydrophobicContact CG1-CE 4.02Å; I120-M137 HydrophobicContact CG1-CG 4.3Å
138K98.4Very high95.7Very high81 Ų8153.9 Ų53.935%0.35230%0.303SS..EExtended strand (participates in β ladder)trans-127.2142.3177.2-64-176.5179.5-172.80111.2F96 V97 F118 Q119F96-K138 HydrophobicContact CD2-CB 4.25Å; F96-K138 HydrophobicContact CD2-CD 3.86Å; F96-K138 HydrophobicContact CD2-CG 3.98Å; F96-K138 HydrophobicContact CE2-CD 3.7Å; F96-K138 HydrophobicContact CE2-CG 4.12Å; F96-K138 HydrophobicContact CZ-CD 4.34Å; V97-K138 CarbonylContact O-C 3.49Å; V97-K138 WeakPolarHBondContact O-CA 3.42Å; F118-K138 CarbonylContact C-O 3.54Å; F118-K138 WeakPolarHBondContact CA-O 3.45Å; Q119-K138 PolarHBondContact N-O 3.02Å; Q119-K138 PolarHBondContact O-N 3.48Å
139R98.1Very high95.3Very high23 Ų2355.4 Ų55.49%0.08732%0.317CS..EExtended strand (participates in β ladder)trans-120.1126.4168.7177.3-170.9-175.7176.210.7109.1D82 F96 V97 L116 F118 L141D82-R139 IonicContact OD1-CZ 3.89Å; D82-R139 IonicContact OD1-NH1 3.87Å; D82-R139 PolarHBondContact OD1-NH1 3.37Å; D82-R139 IonicContact OD1-NH2 3.04Å; D82-R139 PolarHBondContact OD1-NH2 3.05Å; F96-R139 CarbonylContact C-O 3.59Å; F96-R139 WeakPolarHBondContact CA-O 3.44Å; F96-R139 VanDerWaalsContact CB-O 3.25Å; F96-R139 WeakPolarHBondContact CB-O 3.45Å; V97-R139 HydrophobicContact CG1-CB 3.85Å; V97-R139 PolarHBondContact N-O 3.22Å; V97-R139 PolarHBondContact O-N 2.95Å; L116-R139 WeakPolarHBondContact O-CD 3.44Å; L116-R139 VanDerWaalsContact O-CZ 3.29Å; L116-R139 PolarHBondContact O-NE 3.04Å; F118-R139 HydrophobicContact CD1-CB 3.78Å; F118-R139 HydrophobicContact CD2-CB 3.73Å; F118-R139 HydrophobicContact CD2-CG 4.35Å; F118-R139 HydrophobicContact CE1-CB 3.76Å; F118-R139 HydrophobicContact CE2-CB 3.71Å; F118-R139 HydrophobicContact CE2-CG 4.31Å; F118-R139 HydrophobicContact CG-CB 3.76Å; F118-R139 HydrophobicContact CZ-CB 3.73Å; R139-L141 PolarHBondContact O-N 3.16Å
140D97.6Very high95Very high91 Ų9152 Ų5249%0.48729%0.289SS..EExtended strand (participates in β ladder)trans-66.6119.9174.2-178.1-22.5000110.3V142 A143D140-V142 WeakPolarHBondContact OD1-CA 3.41Å; D140-V142 VanDerWaalsContact OD1-CB 3.3Å; D140-V142 WeakPolarHBondContact OD1-CB 3.47Å; D140-V142 PolarHBondContact OD1-N 3.25Å; D140-A143 HydrophobicContact CB-CB 4.36Å; D140-A143 PolarHBondContact OD1-N 2.96Å
141L97.6Very high94.5Very high0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-91-19.1179.2-67.9-174.5000113.3A85 M88 V89 A94 K95 V97 R139 F144 A145A85-L141 HydrophobicContact CB-CD2 3.61Å; M88-L141 HydrophobicContact CB-CD1 3.99Å; M88-L141 HydrophobicContact SD-CD1 4.31Å; V89-L141 HydrophobicContact CG2-CB 3.69Å; V89-L141 HydrophobicContact CG2-CD1 4.08Å; V89-L141 HydrophobicContact CG2-CG 4.38Å; A94-L141 HydrophobicContact CB-CD1 3.79Å; K95-L141 WeakPolarHBondContact O-CB 3.44Å; K95-L141 PolarHBondContact O-N 3.06Å; V97-L141 HydrophobicContact CB-CD1 4.1Å; V97-L141 HydrophobicContact CB-CD2 4.5Å; V97-L141 HydrophobicContact CB-CG 4.37Å; V97-L141 HydrophobicContact CG1-CD1 4.35Å; V97-L141 HydrophobicContact CG1-CD2 3.85Å; V97-L141 HydrophobicContact CG1-CG 4.15Å; R139-L141 PolarHBondContact O-N 3.16Å; L141-F144 HydrophobicContact CD2-CB 4.41Å; L141-F144 HydrophobicContact CD2-CD1 4.17Å; L141-F144 PolarHBondContact O-N 2.84Å; L141-A145 VanDerWaalsContact O-CB 3.27Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.14Å
142V94Very high93.9Very high62 Ų6253.1 Ų53.138%0.37629%0.29SS..Hα-helixtrans-66.9-44.7173.2-178.30000110K95 D140 K146K95-V142 HydrophobicContact CD-CG2 4.1Å; D140-V142 WeakPolarHBondContact OD1-CA 3.41Å; D140-V142 VanDerWaalsContact OD1-CB 3.3Å; D140-V142 WeakPolarHBondContact OD1-CB 3.47Å; D140-V142 PolarHBondContact OD1-N 3.25Å; V142-K146 WeakPolarHBondContact O-CG 3.48Å; V142-K146 PolarHBondContact O-N 3.09Å
143A93.2Very high93.3Very high41 Ų4157.6 Ų57.634%0.33931%0.311SS..Hα-helixtrans-65.7-42.9174.900000111.7D140 K146 Q147D140-A143 HydrophobicContact CB-CB 4.36Å; D140-A143 PolarHBondContact OD1-N 2.96Å; A143-K146 PolarHBondContact O-N 3.08Å; A143-Q147 WeakPolarHBondContact O-CG 3.43Å; A143-Q147 PolarHBondContact O-N 3.35Å
144F93.7Very high92.6Very high16 Ų1660.3 Ų60.37%0.0733%0.325CS..Hα-helixtrans-59.7-47.8176.2171.1-106.4000112.2D82 A85 A86 L141 K146 Q147 V148D82-F144 HydrophobicContact CB-CE2 4.33Å; D82-F144 HydrophobicContact CB-CZ 4.15Å; A85-F144 HydrophobicContact CB-CD1 3.99Å; A85-F144 HydrophobicContact CB-CE1 3.59Å; A85-F144 HydrophobicContact CB-CZ 4.02Å; A86-F144 HydrophobicContact CB-CE1 4.32Å; L141-F144 HydrophobicContact CD2-CB 4.41Å; L141-F144 HydrophobicContact CD2-CD1 4.17Å; L141-F144 PolarHBondContact O-N 2.84Å; F144-K146 VanDerWaalsContact C-N 3.29Å; F144-K146 PolarHBondContact O-N 3.26Å; F144-Q147 WeakPolarHBondContact O-CB 3.29Å; F144-Q147 PolarHBondContact O-N 3.44Å; F144-V148 HydrophobicContact CD1-CG2 4.29Å; F144-V148 HydrophobicContact CD2-CG2 4.06Å; F144-V148 HydrophobicContact CE1-CG2 3.83Å; F144-V148 HydrophobicContact CE2-CG2 3.6Å; F144-V148 HydrophobicContact CG-CG2 4.41Å; F144-V148 HydrophobicContact CZ-CG2 3.48Å; F144-V148 VanDerWaalsContact CZ-CG2 3.48Å; F144-V148 WeakPolarHBondContact O-CG2 3.16Å; F144-V148 PolarHBondContact O-N 2.93Å
145A93.1Very high91.8Very high27 Ų2763.9 Ų63.922%0.22335%0.347CS..Hα-helixtrans-57-43.918000000111.7V89 L141 Q147 V148 S149V89-A145 HydrophobicContact CG1-CB 3.97Å; V89-A145 HydrophobicContact CG2-CB 4.44Å; L141-A145 VanDerWaalsContact O-CB 3.27Å; L141-A145 WeakPolarHBondContact O-CB 3.37Å; L141-A145 PolarHBondContact O-N 3.14Å; A145-Q147 VanDerWaalsContact C-N 3.32Å; A145-Q147 PolarHBondContact O-N 3Å; A145-V148 PolarHBondContact O-N 3.14Å; A145-S149 PolarHBondContact O-N 3.2Å; A145-S149 PolarHBondContact O-OG 2.7Å; A145-S149 VanDerWaalsContact O-OG 3.1Å
146K92.4Very high90.8Very high149 Ų14964.1 Ų64.165%0.64836%0.358SS*.Hα-helixtrans-60-40.4175.5-69.3174-176.7177.70112.6V142 A143 F144 A150V142-K146 WeakPolarHBondContact O-CG 3.48Å; V142-K146 PolarHBondContact O-N 3.09Å; A143-K146 PolarHBondContact O-N 3.08Å; F144-K146 VanDerWaalsContact C-N 3.29Å; F144-K146 PolarHBondContact O-N 3.26Å; K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 2.91Å
147Q90.2Very high89.9Confident123 Ų12366 Ų6658%0.57537%0.373SS*.Hα-helixtrans-66.2-43.8177.5-68.8172.3-2.600111.7A143 F144 A145 A150 I151A143-Q147 WeakPolarHBondContact O-CG 3.43Å; A143-Q147 PolarHBondContact O-N 3.35Å; F144-Q147 WeakPolarHBondContact O-CB 3.29Å; F144-Q147 PolarHBondContact O-N 3.44Å; A145-Q147 VanDerWaalsContact C-N 3.32Å; A145-Q147 PolarHBondContact O-N 3Å; Q147-A150 PolarHBondContact O-N 3.01Å; Q147-I151 VanDerWaalsContact O-CG1 3.31Å; Q147-I151 WeakPolarHBondContact O-CG1 3.48Å; Q147-I151 PolarHBondContact O-N 3.17Å
148V89Confident88.6Confident58 Ų5869.2 Ų69.235%0.35240%0.396SS..Hα-helixtrans-63.3-45.7177.9174.90000110.9F144 A145 A150 I151 S152F144-V148 HydrophobicContact CD1-CG2 4.29Å; F144-V148 HydrophobicContact CD2-CG2 4.06Å; F144-V148 HydrophobicContact CE1-CG2 3.83Å; F144-V148 HydrophobicContact CE2-CG2 3.6Å; F144-V148 HydrophobicContact CG-CG2 4.41Å; F144-V148 HydrophobicContact CZ-CG2 3.48Å; F144-V148 VanDerWaalsContact CZ-CG2 3.48Å; F144-V148 WeakPolarHBondContact O-CG2 3.16Å; F144-V148 PolarHBondContact O-N 2.93Å; A145-V148 PolarHBondContact O-N 3.14Å; V148-A150 PolarHBondContact O-N 3.13Å; V148-I151 PolarHBondContact O-N 3.36Å; V148-S152 PolarHBondContact O-N 2.81Å
149S87.5Confident87.3Confident59 Ų5970.8 Ų70.841%0.41341%0.408SS..Hα-helixtrans-58.4-47.8175.7-60.50000111.6A145 I151 S152 E153A145-S149 PolarHBondContact O-N 3.2Å; A145-S149 PolarHBondContact O-OG 2.7Å; A145-S149 VanDerWaalsContact O-OG 3.1Å; S149-I151 VanDerWaalsContact C-N 3.34Å; S149-I151 PolarHBondContact O-N 3.18Å; S149-S152 PolarHBondContact O-N 2.81Å; S149-S152 VanDerWaalsContact O-N 3.12Å; S149-S152 PolarHBondContact O-OG 2.94Å; S149-E153 WeakPolarHBondContact O-CG 3.38Å; S149-E153 PolarHBondContact O-N 3.44Å
150A88.6Confident85.9Confident44 Ų4473.5 Ų73.536%0.36443%0.431SS..Hα-helixtrans-60.1-40.8178.200000112.9K146 Q147 V148 E153 L154K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 2.91Å; Q147-A150 PolarHBondContact O-N 3.01Å; V148-A150 PolarHBondContact O-N 3.13Å; A150-E153 PolarHBondContact O-N 2.92Å; A150-L154 WeakPolarHBondContact O-CD1 3.37Å; A150-L154 WeakPolarHBondContact O-CG 3.38Å; A150-L154 PolarHBondContact O-N 2.66Å
151I85.6Confident84.5Confident107 Ų10775.9 Ų75.955%0.54944%0.442SS..Hα-helixtrans-64.5-41.9175.7-67.5164.9000110.8Q147 V148 S149 E153 L154 T155Q147-I151 VanDerWaalsContact O-CG1 3.31Å; Q147-I151 WeakPolarHBondContact O-CG1 3.48Å; Q147-I151 PolarHBondContact O-N 3.17Å; V148-I151 PolarHBondContact O-N 3.36Å; S149-I151 VanDerWaalsContact C-N 3.34Å; S149-I151 PolarHBondContact O-N 3.18Å; I151-E153 VanDerWaalsContact C-N 3.31Å; I151-E153 PolarHBondContact O-N 3.05Å; I151-L154 PolarHBondContact O-N 2.94Å; I151-T155 HydrophobicContact CG2-CG2 4.35Å; I151-T155 WeakPolarHBondContact O-CG2 3.49Å; I151-T155 PolarHBondContact O-N 3.3Å; I151-T155 PolarHBondContact O-OG1 3.36Å
152S83.8Confident82.8Confident62 Ų6281.5 Ų81.543%0.43448%0.477SS..Hα-helixtrans-64.9-33.9178.575.40000113.1V148 S149 T155 S156V148-S152 PolarHBondContact O-N 2.81Å; S149-S152 PolarHBondContact O-N 2.81Å; S149-S152 VanDerWaalsContact O-N 3.12Å; S149-S152 PolarHBondContact O-OG 2.94Å; S152-T155 WeakPolarHBondContact CA-OG1 3.46Å; S152-T155 PolarHBondContact O-OG1 2.59Å; S152-S156 WeakPolarHBondContact O-CB 3.39Å; S152-S156 PolarHBondContact O-N 3.42Å; S152-S156 VanDerWaalsContact O-N 3.08Å; S152-S156 PolarHBondContact O-OG 2.8Å; S152-S156 VanDerWaalsContact O-OG 3.04Å
153E84.4Confident80.6Confident131 Ų13185.3 Ų85.361%0.61252%0.515SS*.Hα-helixtrans-70.5-42174.6-71.4174-176.300111.3S149 A150 I151 S156 A157S149-E153 WeakPolarHBondContact O-CG 3.38Å; S149-E153 PolarHBondContact O-N 3.44Å; A150-E153 PolarHBondContact O-N 2.92Å; I151-E153 VanDerWaalsContact C-N 3.31Å; I151-E153 PolarHBondContact O-N 3.05Å; E153-S156 WeakPolarHBondContact CA-OG 3.38Å; E153-S156 PolarHBondContact O-N 3.19Å; E153-S156 PolarHBondContact O-OG 2.85Å; E153-A157 WeakPolarHBondContact O-CB 3.34Å; E153-A157 PolarHBondContact O-N 2.74Å
154L83Confident80Confident118 Ų11887.5 Ų87.562%0.61852%0.523SS*.Hα-helixtrans-64.7-40.9176.1-77156.8000112.7A150 I151 S158A150-L154 WeakPolarHBondContact O-CD1 3.37Å; A150-L154 WeakPolarHBondContact O-CG 3.38Å; A150-L154 PolarHBondContact O-N 2.66Å; I151-L154 PolarHBondContact O-N 2.94Å; L154-S158 WeakPolarHBondContact O-CB 3.43Å; L154-S158 PolarHBondContact O-N 3.34Å; L154-S158 PolarHBondContact O-OG 3.38Å
155T82Confident79.2Confident76 Ų7691.3 Ų91.347%0.46655%0.547SS..Hα-helixtrans-69.4-39.117855.80000111.9I151 S152 S158 N159I151-T155 HydrophobicContact CG2-CG2 4.35Å; I151-T155 WeakPolarHBondContact O-CG2 3.49Å; I151-T155 PolarHBondContact O-N 3.3Å; I151-T155 PolarHBondContact O-OG1 3.36Å; S152-T155 WeakPolarHBondContact CA-OG1 3.46Å; S152-T155 PolarHBondContact O-OG1 2.59Å; T155-S158 PolarHBondContact O-N 3.15Å; T155-N159 WeakPolarHBondContact O-CB 3.46Å; T155-N159 VanDerWaalsContact O-CG 3.24Å; T155-N159 PolarHBondContact O-N 2.84Å; T155-N159 VanDerWaalsContact O-N 3.07Å; T155-N159 PolarHBondContact O-ND2 2.71Å
156S78.4Confident78.5Confident71 Ų7194.8 Ų94.850%0.49757%0.565SS.*Hα-helixtrans-66.5-41.6175.161.60000112.1S152 E153 N159 S160S152-S156 WeakPolarHBondContact O-CB 3.39Å; S152-S156 PolarHBondContact O-N 3.42Å; S152-S156 VanDerWaalsContact O-N 3.08Å; S152-S156 PolarHBondContact O-OG 2.8Å; S152-S156 VanDerWaalsContact O-OG 3.04Å; E153-S156 WeakPolarHBondContact CA-OG 3.38Å; E153-S156 PolarHBondContact O-N 3.19Å; E153-S156 PolarHBondContact O-OG 2.85Å; S156-N159 PolarHBondContact O-N 2.88Å; S156-S160 PolarHBondContact O-N 3.16Å; S156-S160 VanDerWaalsContact O-N 3.13Å
157A78.1Confident77.7Confident46 Ų4691.6 Ų91.638%0.3856%0.56SS.*Hα-helixtrans-62.2-43.5173.600000112.5E153 N159 S160 I161E153-A157 WeakPolarHBondContact O-CB 3.34Å; E153-A157 PolarHBondContact O-N 2.74Å; A157-N159 VanDerWaalsContact C-N 3.34Å; A157-N159 PolarHBondContact O-N 2.89Å; A157-S160 PolarHBondContact O-N 3.23Å; A157-S160 PolarHBondContact O-OG 3.09Å; A157-I161 WeakPolarHBondContact O-CG1 3.05Å; A157-I161 PolarHBondContact O-N 3.36Å
158S72.9Confident76.9Confident69 Ų6989.7 Ų89.748%0.48356%0.559SS.*Hα-helixtrans-63.8-39.6179.1-57.50000112.4L154 T155 S160 I161 T162L154-S158 WeakPolarHBondContact O-CB 3.43Å; L154-S158 PolarHBondContact O-N 3.34Å; L154-S158 PolarHBondContact O-OG 3.38Å; T155-S158 PolarHBondContact O-N 3.15Å; S158-S160 VanDerWaalsContact C-N 3.29Å; S158-S160 PolarHBondContact O-N 2.91Å; S158-I161 PolarHBondContact O-N 2.87Å; S158-T162 PolarHBondContact O-N 3.22Å; S158-T162 PolarHBondContact O-OG1 3.3Å
159N70.2Confident76.1Confident113 Ų11391.8 Ų91.860%0.60457%0.573SS**Hα-helixtrans-67.6-29.7176.5-70.4-15000112.3T155 S156 A157 I161 T162T155-N159 WeakPolarHBondContact O-CB 3.46Å; T155-N159 VanDerWaalsContact O-CG 3.24Å; T155-N159 PolarHBondContact O-N 2.84Å; T155-N159 VanDerWaalsContact O-N 3.07Å; T155-N159 PolarHBondContact O-ND2 2.71Å; S156-N159 PolarHBondContact O-N 2.88Å; A157-N159 VanDerWaalsContact C-N 3.34Å; A157-N159 PolarHBondContact O-N 2.89Å; N159-I161 VanDerWaalsContact C-N 3.32Å; N159-T162 WeakPolarHBondContact CA-OG1 3.48Å; N159-T162 PolarHBondContact O-N 3.41Å; N159-T162 PolarHBondContact O-OG1 3.35Å
160S68.5Low75.3Confident81 Ų8194.1 Ų94.157%0.56659%0.585SS**Hα-helixtrans-73.4-21.817673.20000114S156 A157 S158S156-S160 PolarHBondContact O-N 3.16Å; S156-S160 VanDerWaalsContact O-N 3.13Å; A157-S160 PolarHBondContact O-N 3.23Å; A157-S160 PolarHBondContact O-OG 3.09Å; S158-S160 VanDerWaalsContact C-N 3.29Å; S158-S160 PolarHBondContact O-N 2.91Å
161I68.5Low74.2Confident140 Ų14098 Ų9872%0.71860%0.602SS**Hα-helixtrans-88.5-17178.1-63.4167000111.5A157 S158 N159A157-I161 WeakPolarHBondContact O-CG1 3.05Å; A157-I161 PolarHBondContact O-N 3.36Å; S158-I161 PolarHBondContact O-N 2.87Å; N159-I161 VanDerWaalsContact C-N 3.32Å
162T61.1Low73.3Confident118 Ų11897.3 Ų97.372%0.72461%0.606SS**  trans-101.36-179.234.60000114.3S158 N159S158-T162 PolarHBondContact O-N 3.22Å; S158-T162 PolarHBondContact O-OG1 3.3Å; N159-T162 WeakPolarHBondContact CA-OG1 3.48Å; N159-T162 PolarHBondContact O-N 3.41Å; N159-T162 PolarHBondContact O-OG1 3.35Å
163A48.6Very low72.3Confident142 Ų142100.5 Ų100.5100%1.17462%0.622SS**  trans-102.30169.800000110.8

Retrieved 163 of 163 residues in 292.2 ms (Link to these results)

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