A0A087YI85_POEFO Loading...

Selenide, water dikinase 1

Synthesizes selenophosphate from selenide and ATP.

AlphaFold DB (A0A3P9PKR6), UniProt , Accession A0A087YI85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 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
1M38.9Very low75Confident173 Ų173102.4 Ų102.485%0.85257%0.565SS**  0145.80-71.8171.7-166.200108.2V3M1-V3 PolarHBondContact O-N 3.03Å
2S35.1Very low76.8Confident112 Ų11299.9 Ų99.978%0.78354%0.541SS*.  trans-59.7135.217155.90000109.1R4S2-R4 PolarHBondContact O-N 3.08Å
3V52.5Low78.3Confident146 Ų146101 Ų10189%0.88554%0.541SS*.  trans-57.4104.2176.5-178.20000107.9M1M1-V3 PolarHBondContact O-N 3.03Å
4R68.1Low79.7Confident93 Ų9394.8 Ų94.835%0.35151%0.507SS..PPolyproline II helixtrans-72.4128.8175.7-179.7169.7171.5-112.8-9.7107.4S2 D95 Y97S2-R4 PolarHBondContact O-N 3.08Å; R4-D95 IonicContact CZ-OD1 3.1Å; R4-D95 IonicContact CZ-OD2 2.65Å; R4-D95 VanDerWaalsContact NH1-CG 3.25Å; R4-D95 IonicContact NH1-OD1 2.63Å; R4-D95 PolarHBondContact NH1-OD1 3.33Å; R4-D95 IonicContact NH1-OD2 3.26Å; R4-D95 PolarHBondContact NH1-OD2 3.45Å; R4-D95 IonicContact NH2-OD1 3.26Å; R4-D95 PolarHBondContact NH2-OD1 3.31Å; R4-D95 IonicContact NH2-OD2 3.52Å; R4-D95 PolarHBondContact NH2-OD2 3.47Å; R4-Y97 VanDerWaalsContact NH2-CB 3.33Å
5E72.8Confident80.9Confident173 Ų17394.7 Ų94.781%0.80851%0.507SS*.PPolyproline II helixtrans-60143.6174.4-69.9-176.6167.300110.4F7E5-F7 PolarHBondContact O-N 2.99Å
6S79.9Confident81.8Confident110 Ų11096.9 Ų96.977%0.76951%0.51SS*.PPolyproline II helixtrans-54.7138.2174.5176.50000110.3N8S6-N8 PolarHBondContact O-N 2.8Å
7F93.4Very high82.5Confident25 Ų2597.1 Ų97.111%0.1151%0.512CS..PPolyproline II helixtrans-57122.2175.5175.6-103.2000111.1E5 P9 Y12 L14 F18 D94 D95 P96 L143E5-F7 PolarHBondContact O-N 2.99Å; F7-P9 HydrophobicContact CD1-CG 4.47Å; F7-P9 HydrophobicContact CE1-CB 4.5Å; F7-P9 HydrophobicContact CE1-CG 3.86Å; F7-P9 HydrophobicContact CZ-CG 4.49Å; F7-Y12 AromaticContact CD2-CD2 3.91Å; F7-Y12 HydrophobicContact CD2-CD2 3.91Å; F7-Y12 AromaticContact CD2-CE2 3.56Å; F7-Y12 HydrophobicContact CD2-CE2 3.56Å; F7-Y12 AromaticContact CE2-CD2 3.45Å; F7-Y12 HydrophobicContact CE2-CD2 3.45Å; F7-Y12 VanDerWaalsContact CE2-CD2 3.45Å; F7-Y12 AromaticContact CE2-CE2 3.56Å; F7-Y12 HydrophobicContact CE2-CE2 3.56Å; F7-Y12 HydrophobicContact CE2-CG 4.22Å; F7-Y12 HydrophobicContact CZ-CD2 4.34Å; F7-L14 HydrophobicContact CZ-CD1 4.37Å; F7-F18 HydrophobicContact CE1-CD1 4.1Å; F7-F18 HydrophobicContact CE1-CE1 4.27Å; F7-F18 HydrophobicContact CZ-CD1 4.29Å; F7-F18 HydrophobicContact CZ-CE1 4.29Å; F7-D94 WeakPolarHBondContact CD1-O 3.48Å; F7-D95 HydrophobicContact CB-CB 3.77Å; F7-D95 HydrophobicContact CG-CB 4.48Å; F7-P96 VanDerWaalsContact CD2-CD 3.48Å; F7-P96 HydrophobicContact CD2-CG 4.34Å; F7-P96 HydrophobicContact CE1-CG 4.33Å; F7-P96 HydrophobicContact CE2-CG 3.88Å; F7-P96 HydrophobicContact CZ-CG 3.87Å; F7-L143 HydrophobicContact CE2-CD1 4.08Å
8N95Very high83.3Confident70 Ų7091.7 Ų91.737%0.37448%0.484SS..  trans-116.8117.6170.6-178.8-9.9000108.9S6 E10 S11 Y12S6-N8 PolarHBondContact O-N 2.8Å; N8-E10 PolarHBondContact O-N 2.89Å; N8-E10 PolarHBondContact OD1-N 3.02Å; N8-E10 VanDerWaalsContact OD1-N 3.08Å; N8-S11 WeakPolarHBondContact O-CB 3.34Å; N8-S11 PolarHBondContact O-N 3.41Å; N8-Y12 WeakPolarHBondContact O-CD2 3.42Å
9P96.6Very high84Confident10 Ų1090.4 Ų90.47%0.06547%0.471CS..G310 helixtrans-52.5-38.1179.1-28.334.7000114.8F7 S11 Y12 E13 L14 D15 F18F7-P9 HydrophobicContact CD1-CG 4.47Å; F7-P9 HydrophobicContact CE1-CB 4.5Å; F7-P9 HydrophobicContact CE1-CG 3.86Å; F7-P9 HydrophobicContact CZ-CG 4.49Å; P9-S11 VanDerWaalsContact C-N 3.28Å; P9-S11 PolarHBondContact O-N 3.36Å; P9-Y12 CarbonylContact O-C 3.35Å; P9-Y12 PolarHBondContact O-N 3.07Å; P9-E13 PolarHBondContact O-N 3.16Å; P9-L14 HydrophobicContact CB-CB 3.94Å; P9-L14 WeakPolarHBondContact O-CB 3.38Å; P9-L14 PolarHBondContact O-N 2.82Å; P9-D15 VanDerWaalsContact CB-O 3.22Å; P9-D15 WeakPolarHBondContact CB-O 3.3Å; P9-F18 HydrophobicContact CB-CB 3.98Å; P9-F18 HydrophobicContact CG-CB 4.15Å; P9-F18 HydrophobicContact CG-CD1 4.42Å
10E96.6Very high84.7Confident122 Ų12285.9 Ų85.957%0.5745%0.448SS*.G310 helixtrans-66.6-32-175.9-65.7-176.3121.800111.9N8 Y12 E13 K16N8-E10 PolarHBondContact O-N 2.89Å; N8-E10 PolarHBondContact OD1-N 3.02Å; N8-E10 VanDerWaalsContact OD1-N 3.08Å; E10-Y12 PolarHBondContact O-N 3Å; E10-Y12 VanDerWaalsContact O-N 3.13Å; E10-E13 PolarHBondContact O-N 3.11Å; E10-K16 HydrophobicContact CG-CB 4.02Å
11S96.4Very high85.2Confident92 Ų9282.1 Ų82.164%0.64343%0.428SS*.G310 helixtrans-63.6-16.6174.2-580000113.2N8 P9N8-S11 WeakPolarHBondContact O-CB 3.34Å; N8-S11 PolarHBondContact O-N 3.41Å; P9-S11 VanDerWaalsContact C-N 3.28Å; P9-S11 PolarHBondContact O-N 3.36Å
12Y96.3Very high87.8Confident73 Ų7379 Ų7929%0.28641%0.407SS..G310 helixtrans-108.814.4175.4-64.2-86.8000112.7F7 N8 P9 E10 L14 L143F7-Y12 AromaticContact CD2-CD2 3.91Å; F7-Y12 HydrophobicContact CD2-CD2 3.91Å; F7-Y12 AromaticContact CD2-CE2 3.56Å; F7-Y12 HydrophobicContact CD2-CE2 3.56Å; F7-Y12 AromaticContact CE2-CD2 3.45Å; F7-Y12 HydrophobicContact CE2-CD2 3.45Å; F7-Y12 VanDerWaalsContact CE2-CD2 3.45Å; F7-Y12 AromaticContact CE2-CE2 3.56Å; F7-Y12 HydrophobicContact CE2-CE2 3.56Å; F7-Y12 HydrophobicContact CE2-CG 4.22Å; F7-Y12 HydrophobicContact CZ-CD2 4.34Å; N8-Y12 WeakPolarHBondContact O-CD2 3.42Å; P9-Y12 CarbonylContact O-C 3.35Å; P9-Y12 PolarHBondContact O-N 3.07Å; E10-Y12 PolarHBondContact O-N 3Å; E10-Y12 VanDerWaalsContact O-N 3.13Å; Y12-L14 PolarHBondContact O-N 3.07Å; Y12-L143 HydrophobicContact CD1-CD1 4.03Å; Y12-L143 HydrophobicContact CE1-CD1 3.68Å; Y12-L143 HydrophobicContact CE1-CD2 3.93Å; Y12-L143 HydrophobicContact CE1-CG 4.33Å; Y12-L143 HydrophobicContact CE2-CD1 4.4Å
13E97.1Very high90.7Very high114 Ų11473.9 Ų73.953%0.53337%0.371SS..THydrogen-bonded Turntrans61.227.7-175.8-48.3162.4-130.600113.8P9 E10 K135 K139P9-E13 PolarHBondContact O-N 3.16Å; E10-E13 PolarHBondContact O-N 3.11Å; E13-K135 WeakPolarHBondContact O-CE 3.35Å; E13-K135 PolarHBondContact O-NZ 3.31Å; E13-K135 IonicContact OE2-NZ 3.52Å; E13-K139 IonicContact OE1-NZ 3.56Å; E13-K139 PolarHBondContact OE1-NZ 2.98Å; E13-K139 IonicContact OE2-NZ 3.83Å
14L97.5Very high92.6Very high14 Ų1467.2 Ų67.27%0.07333%0.331CS..  trans-95.2164.4174.7-55.6178.2000110.7F7 P9 Y12 F18 E136 K139 V140F7-L14 HydrophobicContact CZ-CD1 4.37Å; P9-L14 HydrophobicContact CB-CB 3.94Å; P9-L14 WeakPolarHBondContact O-CB 3.38Å; P9-L14 PolarHBondContact O-N 2.82Å; Y12-L14 PolarHBondContact O-N 3.07Å; L14-F18 HydrophobicContact CB-CB 4.27Å; L14-F18 HydrophobicContact CB-CG 4.46Å; L14-F18 HydrophobicContact CD1-CD1 4.06Å; L14-F18 HydrophobicContact CD1-CD2 4.29Å; L14-F18 HydrophobicContact CD1-CE1 4.27Å; L14-F18 HydrophobicContact CD1-CE2 4.46Å; L14-F18 HydrophobicContact CD1-CG 4.1Å; L14-F18 HydrophobicContact CD1-CZ 4.48Å; L14-E136 HydrophobicContact CD2-CB 4.48Å; L14-E136 HydrophobicContact CD2-CG 4.01Å; L14-K139 HydrophobicContact CD1-CB 4.49Å; L14-K139 HydrophobicContact CD2-CB 4.1Å; L14-K139 HydrophobicContact CD2-CG 4.2Å; L14-K139 HydrophobicContact CG-CB 4.5Å; L14-V140 HydrophobicContact CD1-CG2 3.77Å
15D96.9Very high93.1Very high93 Ų9368.5 Ų68.550%0.49734%0.341SS..  trans-62138.1171.9-169.4-61.9000109.8P9 N17 F18P9-D15 VanDerWaalsContact CB-O 3.22Å; P9-D15 WeakPolarHBondContact CB-O 3.3Å; D15-N17 PolarHBondContact O-N 3.49Å; D15-N17 VanDerWaalsContact OD1-CB 3.29Å; D15-N17 WeakPolarHBondContact OD1-CB 3.45Å; D15-N17 PolarHBondContact OD1-N 3.11Å; D15-N17 PolarHBondContact OD1-ND2 2.92Å; D15-F18 WeakPolarHBondContact O-CB 3.48Å; D15-F18 PolarHBondContact O-N 3.37Å
16K95.6Very high92.8Very high130 Ų13064.7 Ų64.757%0.56533%0.326SS*.THydrogen-bonded Turntrans-53-27.8176.368.5178.8-175.1177.20113.9E10 F18 R19E10-K16 HydrophobicContact CG-CB 4.02Å; K16-F18 VanDerWaalsContact C-N 3.31Å; K16-R19 PolarHBondContact O-NH1 3.35Å
17N94.3Very high92.1Very high100 Ų10063.9 Ų63.954%0.53531%0.309SS..THydrogen-bonded Turntrans-89.45.2179.3-53.2-52.5000112.6D15 R19D15-N17 PolarHBondContact O-N 3.49Å; D15-N17 VanDerWaalsContact OD1-CB 3.29Å; D15-N17 WeakPolarHBondContact OD1-CB 3.45Å; D15-N17 PolarHBondContact OD1-N 3.11Å; D15-N17 PolarHBondContact OD1-ND2 2.92Å; N17-R19 PolarHBondContact O-N 3.02Å
18F97Very high90.5Very high1 Ų163.3 Ų63.30%0.00431%0.309CS..  trans-60133.9172.7176.5-88.4000109.9F7 P9 L14 D15 K16 L20 F23 E136 V140F7-F18 HydrophobicContact CE1-CD1 4.1Å; F7-F18 HydrophobicContact CE1-CE1 4.27Å; F7-F18 HydrophobicContact CZ-CD1 4.29Å; F7-F18 HydrophobicContact CZ-CE1 4.29Å; P9-F18 HydrophobicContact CB-CB 3.98Å; P9-F18 HydrophobicContact CG-CB 4.15Å; P9-F18 HydrophobicContact CG-CD1 4.42Å; L14-F18 HydrophobicContact CB-CB 4.27Å; L14-F18 HydrophobicContact CB-CG 4.46Å; L14-F18 HydrophobicContact CD1-CD1 4.06Å; L14-F18 HydrophobicContact CD1-CD2 4.29Å; L14-F18 HydrophobicContact CD1-CE1 4.27Å; L14-F18 HydrophobicContact CD1-CE2 4.46Å; L14-F18 HydrophobicContact CD1-CG 4.1Å; L14-F18 HydrophobicContact CD1-CZ 4.48Å; D15-F18 WeakPolarHBondContact O-CB 3.48Å; D15-F18 PolarHBondContact O-N 3.37Å; K16-F18 VanDerWaalsContact C-N 3.31Å; F18-L20 HydrophobicContact CE1-CB 4.35Å; F18-L20 HydrophobicContact CZ-CD1 4.42Å; F18-F23 HydrophobicContact CD2-CE2 4.49Å; F18-F23 AromaticContact CE2-CE2 3.59Å; F18-F23 HydrophobicContact CE2-CE2 3.59Å; F18-F23 HydrophobicContact CE2-CZ 4.08Å; F18-F23 AromaticContact CZ-CE2 3.94Å; F18-F23 HydrophobicContact CZ-CE2 3.94Å; F18-E136 HydrophobicContact CD2-CG 3.99Å; F18-E136 HydrophobicContact CE2-CB 4.18Å; F18-E136 HydrophobicContact CE2-CG 3.97Å; F18-V140 HydrophobicContact CE1-CG2 3.92Å; F18-V140 HydrophobicContact CE2-CG2 3.98Å; F18-V140 HydrophobicContact CZ-CB 4.43Å; F18-V140 HydrophobicContact CZ-CG1 4.22Å; F18-V140 HydrophobicContact CZ-CG2 3.39Å
19R96.3Very high88.8Confident66 Ų6665.3 Ų65.325%0.24932%0.324CS..  trans-139.1125175.5-66.2-64.2-178.5-94.71.1107.6K16 N17 T21 R22 D94 D216K16-R19 PolarHBondContact O-NH1 3.35Å; N17-R19 PolarHBondContact O-N 3.02Å; R19-T21 PolarHBondContact O-N 2.97Å; R19-R22 HydrophobicContact CB-CB 4.34Å; R19-R22 WeakPolarHBondContact O-CB 3.48Å; R19-R22 WeakPolarHBondContact O-CD 3.47Å; R19-R22 WeakPolarHBondContact O-CG 3.41Å; R19-R22 PolarHBondContact O-N 3.39Å; R19-D94 WeakPolarHBondContact CA-OD1 3.49Å; R19-D94 WeakPolarHBondContact CB-OD1 3.34Å; R19-D94 WeakPolarHBondContact CD-OD2 3.15Å; R19-D216 IonicContact CZ-OD2 3.41Å; R19-D216 IonicContact NE-OD2 3.77Å; R19-D216 PolarHBondContact NE-OD2 2.94Å; R19-D216 IonicContact NH2-OD1 3.82Å; R19-D216 PolarHBondContact NH2-OD1 3.28Å; R19-D216 IonicContact NH2-OD2 2.97Å; R19-D216 PolarHBondContact NH2-OD2 2.82Å
20L97.3Very high87.7Confident0 Ų065.8 Ų65.80%033%0.331CS..G310 helixtrans-66-34.5175.7-173.162.6000110.3F18 R22 F23 P91 D94 P96 M99 M132 V140 I144 V170F18-L20 HydrophobicContact CE1-CB 4.35Å; F18-L20 HydrophobicContact CZ-CD1 4.42Å; L20-R22 PolarHBondContact O-N 3.33Å; L20-R22 VanDerWaalsContact O-N 3.08Å; L20-F23 HydrophobicContact CD1-CD2 4.28Å; L20-F23 WeakPolarHBondContact O-CD2 3.4Å; L20-F23 PolarHBondContact O-N 3.4Å; L20-F23 VanDerWaalsContact O-N 3.09Å; L20-P91 HydrophobicContact CB-CB 4.5Å; L20-P91 HydrophobicContact CD1-CG 4.38Å; L20-P91 HydrophobicContact CD2-CB 4.27Å; L20-P91 HydrophobicContact CD2-CG 4.42Å; L20-P91 HydrophobicContact CG-CB 3.8Å; L20-P91 HydrophobicContact CG-CG 3.89Å; L20-P91 WeakPolarHBondContact O-CB 3.4Å; L20-D94 PolarHBondContact N-OD1 3.45Å; L20-P96 HydrophobicContact CD2-CB 4.17Å; L20-P96 HydrophobicContact CD2-CG 4.4Å; L20-M99 HydrophobicContact CD2-CB 3.93Å; L20-M99 HydrophobicContact CD2-CG 3.94Å; L20-M132 HydrophobicContact CD1-CE 4.22Å; L20-V140 HydrophobicContact CD1-CG1 3.65Å; L20-I144 HydrophobicContact CD1-CD1 4.34Å; L20-I144 HydrophobicContact CD2-CD1 4.24Å; L20-V170 HydrophobicContact CD1-CG2 4.47Å
21T95.6Very high87.1Confident7 Ų762.5 Ų62.54%0.04332%0.321CS..G310 helixtrans-65.8-7.2177.858.80000114.4R19 F23 D94 Q213R19-T21 PolarHBondContact O-N 2.97Å; T21-F23 VanDerWaalsContact C-N 3.29Å; T21-D94 WeakPolarHBondContact CB-OD1 3.11Å; T21-D94 VanDerWaalsContact CG2-OD1 3.3Å; T21-D94 WeakPolarHBondContact CG2-OD1 3.18Å; T21-D94 PolarHBondContact N-OD1 2.98Å; T21-D94 PolarHBondContact OG1-OD1 3.22Å; T21-D94 PolarHBondContact OG1-OD2 3.04Å; T21-Q213 HydrophobicContact CG2-CG 4.3Å
22R94.9Very high86.7Confident109 Ų10961.9 Ų61.941%0.41131%0.307SS..G310 helixtrans-76.4-17.6172.189.1-167.7-174174.72.4112.9R19 L20 A24 E136R19-R22 HydrophobicContact CB-CB 4.34Å; R19-R22 WeakPolarHBondContact O-CB 3.48Å; R19-R22 WeakPolarHBondContact O-CD 3.47Å; R19-R22 WeakPolarHBondContact O-CG 3.41Å; R19-R22 PolarHBondContact O-N 3.39Å; L20-R22 PolarHBondContact O-N 3.33Å; L20-R22 VanDerWaalsContact O-N 3.08Å; R22-A24 PolarHBondContact O-N 3.33Å; R22-E136 IonicContact CZ-OE1 3.23Å; R22-E136 IonicContact NH1-OE1 3.44Å; R22-E136 IonicContact NH2-OE1 2.74Å; R22-E136 PolarHBondContact NH2-OE1 2.96Å; R22-E136 IonicContact NH2-OE2 2.77Å; R22-E136 PolarHBondContact NH2-OE2 3.43Å; R22-E136 VanDerWaalsContact NH2-OE2 3.1Å
23F95.8Very high86.4Confident3 Ų361.9 Ų61.91%0.01331%0.314CS..G310 helixtrans-92.229.4179.2-54.1-73.6000112.5F18 L20 T21 S129 K131 M132 W169 V170F18-F23 HydrophobicContact CD2-CE2 4.49Å; F18-F23 AromaticContact CE2-CE2 3.59Å; F18-F23 HydrophobicContact CE2-CE2 3.59Å; F18-F23 HydrophobicContact CE2-CZ 4.08Å; F18-F23 AromaticContact CZ-CE2 3.94Å; F18-F23 HydrophobicContact CZ-CE2 3.94Å; L20-F23 HydrophobicContact CD1-CD2 4.28Å; L20-F23 WeakPolarHBondContact O-CD2 3.4Å; L20-F23 PolarHBondContact O-N 3.4Å; L20-F23 VanDerWaalsContact O-N 3.09Å; T21-F23 VanDerWaalsContact C-N 3.29Å; F23-S129 WeakPolarHBondContact CD1-OG 3.46Å; F23-K131 HydrophobicContact CD1-CB 4.2Å; F23-K131 HydrophobicContact CE1-CB 4.26Å; F23-M132 HydrophobicContact CD1-CB 4.41Å; F23-M132 HydrophobicContact CD2-CE 3.6Å; F23-M132 HydrophobicContact CE1-CB 3.76Å; F23-M132 HydrophobicContact CE1-CE 4.39Å; F23-M132 HydrophobicContact CE1-CG 4.32Å; F23-M132 HydrophobicContact CE2-CE 3.35Å; F23-M132 HydrophobicContact CE2-CG 4.47Å; F23-M132 HydrophobicContact CG-CE 4.22Å; F23-M132 HydrophobicContact CZ-CB 3.87Å; F23-M132 HydrophobicContact CZ-CE 3.74Å; F23-M132 HydrophobicContact CZ-CG 3.91Å; F23-W169 CarbonylContact O-C 3.43Å; F23-W169 WeakPolarHBondContact O-CA 3.49Å; F23-W169 WeakPolarHBondContact O-CB 3.47Å; F23-V170 HydrophobicContact CB-CB 4.36Å; F23-V170 HydrophobicContact CB-CG2 3.74Å; F23-V170 HydrophobicContact CD2-CG2 4.47Å; F23-V170 HydrophobicContact CG-CG2 4.25Å; F23-V170 PolarHBondContact O-N 3.49Å
24A91.3Very high86Confident7 Ų760.5 Ų60.56%0.05832%0.315CS..  trans-149.2134.3168.900000109.5R22R22-A24 PolarHBondContact O-N 3.33Å
25E78.1Confident85.4Confident120 Ų12061.5 Ų61.556%0.56132%0.319SS*.  trans-98.3-31.5-177.3-71172.6-16200113.7K27 K131 W169E25-K27 PolarHBondContact O-N 3.06Å; E25-K131 IonicContact OE1-NZ 2.75Å; E25-K131 PolarHBondContact OE1-NZ 2.95Å; E25-W169 HydrophobicContact CB-CZ2 3.67Å; E25-W169 HydrophobicContact CG-CZ2 4.25Å
26L66.5Low84.9Confident92 Ų9263.9 Ų63.948%0.48233%0.328SS..  trans-72.6118-179.7-67.9172.2000110.1C31 W169L26-C31 HydrophobicContact CB-CB 4.49Å; L26-C31 WeakPolarHBondContact CB-SG 3.46Å; L26-C31 HydrophobicContact CD1-CB 4.1Å; L26-W169 HydrophobicContact CD1-CH2 3.67Å; L26-W169 HydrophobicContact CD1-CZ3 3.66Å; L26-W169 HydrophobicContact CG-CH2 3.61Å; L26-W169 HydrophobicContact CG-CZ3 3.98Å
27K65.1Low84.7Confident94 Ų9461.1 Ų61.141%0.40932%0.321SS..  trans-135.5142.2-177.2-59.9-177.7-174.9-149.60110E25E25-K27 PolarHBondContact O-N 3.06Å
28G60.4Low84.5Confident12 Ų1259.4 Ų59.412%0.12431%0.312CS..SBendtrans109-78.4171.600000114.1G30 Q206G28-G30 VanDerWaalsContact C-N 3.32Å; G28-G30 PolarHBondContact O-N 3.28Å; G28-Q206 WeakPolarHBondContact O-CG 3.49Å
29T59.7Low84Confident112 Ų11263.6 Ų63.669%0.68733%0.331SS*.SBendtrans-91.916.3-174.857.40000113.9P318T29-P318 VanDerWaalsContact O-CG 3.28Å; T29-P318 WeakPolarHBondContact O-CG 3.49Å
30G73.7Confident83.7Confident20 Ų2067 Ų6721%0.20635%0.348CS..  trans80.9178.2-177.700000113G28G28-G30 VanDerWaalsContact C-N 3.32Å; G28-G30 PolarHBondContact O-N 3.28Å
31C83.6Confident83.4Confident53 Ų5373 Ų7336%0.35838%0.379SS..SBendtrans-115-6.2-176.3-53.60000113.5L26 Y90L26-C31 HydrophobicContact CB-CB 4.49Å; L26-C31 WeakPolarHBondContact CB-SG 3.46Å; L26-C31 HydrophobicContact CD1-CB 4.1Å; C31-Y90 HydrophobicContact CB-CD2 3.67Å; C31-Y90 HydrophobicContact CB-CE2 3.6Å; C31-Y90 VanDerWaalsContact SG-CD2 3.6Å
32K87.7Confident83.1Confident80 Ų8074.9 Ų74.935%0.34839%0.389SS..SBendtrans-69.2139.8177.9-69.5-163.1175.3-174.50109.2D87 F269K32-D87 IonicContact NZ-OD1 3.96Å; K32-D87 IonicContact NZ-OD2 3.36Å; K32-D87 PolarHBondContact NZ-OD2 3.4Å; K32-F269 HydrophobicContact CB-CE1 4.13Å
33V89.6Confident82.7Confident72 Ų7274.8 Ų74.844%0.43639%0.393SS..PPolyproline II helixtrans-57131.4168.4175.50000107.7Q35 V37 L38V33-Q35 PolarHBondContact O-N 3.02Å; V33-V37 HydrophobicContact CG1-CB 3.83Å; V33-V37 HydrophobicContact CG1-CG1 3.71Å; V33-L38 HydrophobicContact CG1-CB 4.36Å
34P89.2Confident82.2Confident86 Ų8677.9 Ų77.956%0.55842%0.42SS*.PPolyproline II helixtrans-53.2142.1-178-27.834.9000112.1E36 V37 L38P34-E36 VanDerWaalsContact C-N 3.31Å; P34-E36 PolarHBondContact O-N 3.27Å; P34-V37 HydrophobicContact CB-CG2 4.24Å; P34-V37 WeakPolarHBondContact O-CA 3.5Å; P34-V37 WeakPolarHBondContact O-CB 3.41Å; P34-V37 PolarHBondContact O-N 3.44Å; P34-L38 PolarHBondContact O-N 3Å
35Q85.3Confident81.8Confident34 Ų3482.2 Ų82.216%0.15944%0.441CS..Hα-helixtrans-53.7-44.4-170.6-170.4178.424.600113.3V33 V37 L38 Q39 F269 T277V33-Q35 PolarHBondContact O-N 3.02Å; Q35-V37 VanDerWaalsContact C-N 3.29Å; Q35-V37 PolarHBondContact O-N 3.46Å; Q35-L38 PolarHBondContact O-N 3.22Å; Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.47Å; Q35-F269 HydrophobicContact CB-CD1 4.22Å; Q35-F269 HydrophobicContact CB-CE1 4.01Å; Q35-F269 HydrophobicContact CB-CE2 4.37Å; Q35-F269 HydrophobicContact CB-CG 4.5Å; Q35-F269 HydrophobicContact CB-CZ 4.08Å; Q35-F269 HydrophobicContact CG-CE2 4.3Å; Q35-F269 HydrophobicContact CG-CZ 4.4Å; Q35-T277 PolarHBondContact NE2-OG1 2.75Å
36E86.6Confident81.5Confident144 Ų14481.1 Ų81.167%0.67344%0.436SS*.Hα-helixtrans-64.7-32.1178.9-62.2-177.318000113.1P34 K40P34-E36 VanDerWaalsContact C-N 3.31Å; P34-E36 PolarHBondContact O-N 3.27Å; E36-K40 WeakPolarHBondContact O-CG 3.35Å; E36-K40 PolarHBondContact O-N 3Å
37V91.2Very high81.2Confident71 Ų7183.8 Ų83.843%0.4345%0.446SS..Hα-helixtrans-75.7-43176.8179.70000109.7V33 P34 Q35 Q39 K40 L41V33-V37 HydrophobicContact CG1-CB 3.83Å; V33-V37 HydrophobicContact CG1-CG1 3.71Å; P34-V37 HydrophobicContact CB-CG2 4.24Å; P34-V37 WeakPolarHBondContact O-CA 3.5Å; P34-V37 WeakPolarHBondContact O-CB 3.41Å; P34-V37 PolarHBondContact O-N 3.44Å; Q35-V37 VanDerWaalsContact C-N 3.29Å; Q35-V37 PolarHBondContact O-N 3.46Å; V37-Q39 PolarHBondContact O-N 2.87Å; V37-K40 PolarHBondContact O-N 3.07Å; V37-L41 HydrophobicContact CG1-CD1 4.1Å; V37-L41 WeakPolarHBondContact O-CG 3.3Å; V37-L41 PolarHBondContact O-N 3.47Å; V37-L41 VanDerWaalsContact O-N 3.09Å
38L89.6Confident80.7Confident65 Ų6584.3 Ų84.334%0.3445%0.453SS..Hα-helixtrans-59.6-47177.4-179.264000111.3V33 P34 Q35 K40 L41 L42 F269V33-L38 HydrophobicContact CG1-CB 4.36Å; P34-L38 PolarHBondContact O-N 3Å; Q35-L38 PolarHBondContact O-N 3.22Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.11Å; L38-L41 PolarHBondContact O-N 2.92Å; L38-L42 HydrophobicContact CD1-CD1 3.76Å; L38-L42 HydrophobicContact CD1-CG 4.14Å; L38-L42 HydrophobicContact CG-CD1 3.86Å; L38-L42 HydrophobicContact CG-CG 4.5Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.45Å; L38-F269 HydrophobicContact CD2-CZ 4.31Å
39Q86.3Confident80.3Confident88 Ų8892.4 Ų92.441%0.41149%0.487SS..Hα-helixtrans-56.9-44.5178.9-75.7173.8-9.600111.8Q35 V37 L42 E43Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.47Å; V37-Q39 PolarHBondContact O-N 2.87Å; Q39-L42 PolarHBondContact O-N 3.42Å; Q39-E43 PolarHBondContact O-N 3.38Å
40K89.7Confident79.9Confident137 Ų13795.7 Ų95.760%0.59649%0.489SS*.Hα-helixtrans-63.5-41.1177.3-70.9174.2-178.4175.80113.3E36 V37 L38 L42 E43E36-K40 WeakPolarHBondContact O-CG 3.35Å; E36-K40 PolarHBondContact O-N 3Å; V37-K40 PolarHBondContact O-N 3.07Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.11Å; K40-L42 PolarHBondContact O-N 3.16Å; K40-E43 WeakPolarHBondContact CA-OE1 3.28Å; K40-E43 WeakPolarHBondContact O-CG 3.49Å; K40-E43 PolarHBondContact O-N 3.36Å
41L90.8Very high78.7Confident126 Ų126102.6 Ų102.666%0.6652%0.515SS*.Hα-helixtrans-67.2-23.9179.5-70.6172.4000112.9V37 L38V37-L41 HydrophobicContact CG1-CD1 4.1Å; V37-L41 WeakPolarHBondContact O-CG 3.3Å; V37-L41 PolarHBondContact O-N 3.47Å; V37-L41 VanDerWaalsContact O-N 3.09Å; L38-L41 PolarHBondContact O-N 2.92Å
42L89.8Confident77.4Confident47 Ų47108 Ų10825%0.24654%0.536CS..THydrogen-bonded Turntrans-98.51.7-177-59.6176.7000113.6L38 Q39 K40 A44 L45 Q46 I66L38-L42 HydrophobicContact CD1-CD1 3.76Å; L38-L42 HydrophobicContact CD1-CG 4.14Å; L38-L42 HydrophobicContact CG-CD1 3.86Å; L38-L42 HydrophobicContact CG-CG 4.5Å; L38-L42 VanDerWaalsContact O-CG 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.45Å; Q39-L42 PolarHBondContact O-N 3.42Å; K40-L42 PolarHBondContact O-N 3.16Å; L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 2.77Å; L42-L45 HydrophobicContact CD2-CD1 3.89Å; L42-L45 WeakPolarHBondContact O-CB 3.43Å; L42-L45 PolarHBondContact O-N 3.26Å; L42-Q46 PolarHBondContact O-N 3.26Å; L42-I66 HydrophobicContact CD1-CG2 4.13Å
43E87.3Confident76.2Confident107 Ų107108.3 Ų108.350%0.554%0.541SS..Hα-helixtrans-51.6-44.8-178.5-74.8172.4-173.400112.2Q39 K40 L45 Q46 E47Q39-E43 PolarHBondContact O-N 3.38Å; K40-E43 WeakPolarHBondContact CA-OE1 3.28Å; K40-E43 WeakPolarHBondContact O-CG 3.49Å; K40-E43 PolarHBondContact O-N 3.36Å; E43-L45 PolarHBondContact O-N 3.1Å; E43-L45 VanDerWaalsContact O-N 3.15Å; E43-Q46 WeakPolarHBondContact O-CB 3.29Å; E43-Q46 PolarHBondContact O-N 3.24Å; E43-E47 PolarHBondContact O-N 3.23Å
44A84.9Confident74.9Confident69 Ų69109.3 Ų109.357%0.5754%0.541SS*.Hα-helixtrans-62.6-23.3179.600000114.3L42L42-A44 VanDerWaalsContact C-N 3.28Å; L42-A44 PolarHBondContact O-N 2.77Å
45L83.7Confident73.5Confident98 Ų98112.9 Ų112.951%0.51355%0.55SS.*Hα-helixtrans-83.3-23.9175-64.2173.8000112.1L42 E43 I66L42-L45 HydrophobicContact CD2-CD1 3.89Å; L42-L45 WeakPolarHBondContact O-CB 3.43Å; L42-L45 PolarHBondContact O-N 3.26Å; E43-L45 PolarHBondContact O-N 3.1Å; E43-L45 VanDerWaalsContact O-N 3.15Å; L45-I66 HydrophobicContact CB-CD1 3.64Å; L45-I66 HydrophobicContact CD1-CD1 3.98Å; L45-I66 HydrophobicContact CG-CD1 4.47Å
46Q71.1Confident72.1Confident96 Ų96114.7 Ų114.745%0.44956%0.558SS.*Hα-helixtrans-77.1-24.7177.6-64.1-179.1-24.300112.3L42 E43 N48L42-Q46 PolarHBondContact O-N 3.26Å; E43-Q46 WeakPolarHBondContact O-CB 3.29Å; E43-Q46 PolarHBondContact O-N 3.24Å; Q46-N48 PolarHBondContact O-N 3.06Å
47E60.9Low70.6Confident149 Ų149115.6 Ų115.670%0.69657%0.566SS**THydrogen-bonded Turntrans-69-17176.9-67.2-178.9172.200113.6E43 H49E43-E47 PolarHBondContact O-N 3.23Å; E47-H49 PolarHBondContact O-N 3.31Å; E47-H49 VanDerWaalsContact O-N 3.12Å
48N54.3Low69.1Low105 Ų105115.9 Ų115.956%0.56158%0.583SS**SBendtrans-78.898.3176.7-70.8-45.8000110.7Q46 Y50Q46-N48 PolarHBondContact O-N 3.06Å; N48-Y50 PolarHBondContact O-N 3.4Å
49H50.5Low67.8Low181 Ų181115.6 Ų115.684%0.83859%0.59SS**  trans-52.483.8178.1-77.5-84.9000115.1E47E47-H49 PolarHBondContact O-N 3.31Å; E47-H49 VanDerWaalsContact O-N 3.12Å
50Y51.5Low67.1Low181 Ų181115.5 Ų115.571%0.7160%0.596SS**  trans-134.453161-66.3-79000109.8N48 R63N48-Y50 PolarHBondContact O-N 3.4Å; Y50-R63 WeakPolarHBondContact O-CD 3.3Å
51Q50.2Low66.7Low165 Ų165109.6 Ų109.677%0.77157%0.57SS**  trans-108.43.2-179-73.4-170.6-13.500113.9
52E56.3Low66.6Low168 Ų168105.2 Ų105.279%0.78555%0.549SS*.SBendtrans-91.7137.9176.6-67-176.4-176.600110.5E54E52-E54 PolarHBondContact O-N 2.74Å
53D62.2Low66.6Low86 Ų86105 Ų10546%0.4655%0.545SS..PPolyproline II helixtrans-58.4133170.6-71.9-25.1000110V60 P62 R63D53-V60 HydrophobicContact CB-CG1 3.47Å; D53-V60 VanDerWaalsContact CB-CG1 3.47Å; D53-V60 WeakPolarHBondContact OD2-CG1 3.15Å; D53-P62 WeakPolarHBondContact OD1-CA 3.25Å; D53-R63 PolarHBondContact OD1-N 3.02Å
54E61.3Low66.9Low92 Ų92100.4 Ų100.443%0.4352%0.524SS..EExtended strand (participates in β ladder)trans-85.8132.7178.2-92.1178.4149.200110.6E52 M61 R63E52-E54 PolarHBondContact O-N 2.74Å; E54-M61 PolarHBondContact N-O 3.04Å; E54-M61 PolarHBondContact O-N 3.03Å; E54-R63 IonicContact OE1-NH2 2.81Å; E54-R63 IonicContact OE2-NH2 3.95Å; E54-R63 PolarHBondContact OE2-NH2 3.43Å
55Q59.5Low67.1Low162 Ų16299.1 Ų99.176%0.75752%0.518SS*.EExtended strand (participates in β ladder)trans-83.8119.2169.9-72178.83.700109.8A59 V60Q55-A59 WeakPolarHBondContact CA-O 3.4Å; Q55-V60 HydrophobicContact CG-CG2 4.34Å
56F56.5Low67.4Low71 Ų7199 Ų9931%0.31152%0.516SS..EExtended strand (participates in β ladder)trans-120.8118.9168.8-174.9-95.1000109.5G58 A59 M61F56-G58 PolarHBondContact O-N 3.01Å; F56-A59 PolarHBondContact N-O 2.79Å; F56-A59 PolarHBondContact O-N 3.4Å; F56-M61 HydrophobicContact CB-CE 3.39Å; F56-M61 HydrophobicContact CB-SD 4.22Å; F56-M61 HydrophobicContact CG-CE 4.13Å
57L55.8Low68.2Low164 Ų16496.5 Ų96.586%0.85952%0.517SS*.THydrogen-bonded Turntrans50.233.8-179.8-60.4175000114.2
58G58.5Low69.8Low76 Ų7690.6 Ų90.678%0.78449%0.49SS*.THydrogen-bonded Turntrans86.8-1.617900000115.6F56F56-G58 PolarHBondContact O-N 3.01Å
59A61.9Low71.7Confident59 Ų5986.5 Ų86.549%0.48847%0.468SS..EExtended strand (participates in β ladder)trans-99.3133.7170.200000110.7Q55 F56Q55-A59 WeakPolarHBondContact CA-O 3.4Å; F56-A59 PolarHBondContact N-O 2.79Å; F56-A59 PolarHBondContact O-N 3.4Å
60V71.5Confident74Confident87 Ų8778.1 Ų78.153%0.52743%0.429SS..EExtended strand (participates in β ladder)trans-76.7116.9171.3162.70000107.8D53 Q55D53-V60 HydrophobicContact CB-CG1 3.47Å; D53-V60 VanDerWaalsContact CB-CG1 3.47Å; D53-V60 WeakPolarHBondContact OD2-CG1 3.15Å; Q55-V60 HydrophobicContact CG-CG2 4.34Å
61M82.1Confident76.1Confident12 Ų1270.9 Ų70.96%0.05941%0.405CS..EExtended strand (participates in β ladder)trans-94.3120.9173.2-71.5-171.6-63.400109.9E54 F56 P74E54-M61 PolarHBondContact N-O 3.04Å; E54-M61 PolarHBondContact O-N 3.03Å; F56-M61 HydrophobicContact CB-CE 3.39Å; F56-M61 HydrophobicContact CB-SD 4.22Å; F56-M61 HydrophobicContact CG-CE 4.13Å; M61-P74 HydrophobicContact CB-CB 4.01Å; M61-P74 HydrophobicContact CB-CG 3.91Å; M61-P74 HydrophobicContact CE-CB 3.55Å; M61-P74 HydrophobicContact SD-CB 4.05Å
62P88Confident78.3Confident34 Ų3463 Ų6322%0.22137%0.368CS..PPolyproline II helixtrans-66.2140.9-179.228.6-34.7000110.5D53 F185 M187D53-P62 WeakPolarHBondContact OD1-CA 3.25Å; P62-F185 HydrophobicContact CG-CE2 3.78Å; P62-F185 HydrophobicContact CG-CZ 3.92Å; P62-M187 HydrophobicContact CB-CE 3.95Å; P62-M187 HydrophobicContact CB-CG 4.01Å; P62-M187 HydrophobicContact CB-SD 3.85Å; P62-M187 HydrophobicContact CG-CG 4.08Å; P62-M187 HydrophobicContact CG-SD 4.09Å
63R91.4Very high80.2Confident44 Ų4457.5 Ų57.517%0.16634%0.343CS..  trans-115.8141.4173.6-177.6-178.8-70.9-84.7-2.5110.3Y50 D53 E54 V72 P74Y50-R63 WeakPolarHBondContact O-CD 3.3Å; D53-R63 PolarHBondContact OD1-N 3.02Å; E54-R63 IonicContact OE1-NH2 2.81Å; E54-R63 IonicContact OE2-NH2 3.95Å; E54-R63 PolarHBondContact OE2-NH2 3.43Å; R63-V72 WeakPolarHBondContact CA-O 3.33Å; R63-P74 HydrophobicContact CB-CG 4.45Å
64L92.1Very high81.7Confident9 Ų953.8 Ų53.85%0.04732%0.324CS..BIsolated β-bridgetrans-130118.6173.7-165.360.2000109.8M68 C71 V72 M114 M187 P188L64-M68 HydrophobicContact CD1-CB 4.29Å; L64-M68 HydrophobicContact CD1-CG 4.02Å; L64-M68 HydrophobicContact CD2-CB 3.81Å; L64-M68 HydrophobicContact CD2-CG 4.25Å; L64-M68 HydrophobicContact CG-CB 4.2Å; L64-M68 HydrophobicContact CG-CG 4.48Å; L64-C71 CarbonylContact O-C 3.52Å; L64-C71 VanDerWaalsContact O-CA 3.24Å; L64-C71 WeakPolarHBondContact O-CA 3.43Å; L64-C71 WeakPolarHBondContact O-CB 3.43Å; L64-V72 HydrophobicContact CB-CB 3.76Å; L64-V72 HydrophobicContact CB-CG2 3.85Å; L64-V72 HydrophobicContact CD2-CG2 4.29Å; L64-V72 PolarHBondContact N-O 3.34Å; L64-V72 PolarHBondContact O-N 3.12Å; L64-M114 HydrophobicContact CD2-CE 3.95Å; L64-M114 HydrophobicContact CD2-SD 4.07Å; L64-M187 HydrophobicContact CB-CE 4.32Å; L64-M187 HydrophobicContact CD1-CE 4.42Å; L64-P188 HydrophobicContact CD2-CG 4.08Å
65G89.8Confident83.3Confident43 Ų4351.8 Ų51.844%0.44332%0.316SS..  trans-99.9-152.7178.700000112.8G67G65-G67 PolarHBondContact O-N 3.02Å
66I90.3Very high84.7Confident94 Ų9455 Ų5548%0.48232%0.322SS..THydrogen-bonded Turntrans-60.7128.4176.3-61.1173.5000110L42 L45L42-I66 HydrophobicContact CD1-CG2 4.13Å; L45-I66 HydrophobicContact CB-CD1 3.64Å; L45-I66 HydrophobicContact CD1-CD1 3.98Å; L45-I66 HydrophobicContact CG-CD1 4.47Å
67G88.4Confident86.3Confident45 Ų4558.2 Ų58.246%0.46434%0.337SS..THydrogen-bonded Turntrans143.9-20171.200000114.9G65 T277G65-G67 PolarHBondContact O-N 3.02Å; G67-T277 VanDerWaalsContact O-CG2 3.27Å; G67-T277 WeakPolarHBondContact O-CG2 3.34Å
68M93.3Very high87.7Confident24 Ų2453 Ų5312%0.11832%0.323CS..SBendtrans-123.6-179.5179.1-68.1-55.9-5700111.5L64 T70 P188 T277 L278 Q281L64-M68 HydrophobicContact CD1-CB 4.29Å; L64-M68 HydrophobicContact CD1-CG 4.02Å; L64-M68 HydrophobicContact CD2-CB 3.81Å; L64-M68 HydrophobicContact CD2-CG 4.25Å; L64-M68 HydrophobicContact CG-CB 4.2Å; L64-M68 HydrophobicContact CG-CG 4.48Å; M68-T70 VanDerWaalsContact C-N 3.3Å; M68-T70 PolarHBondContact O-N 2.93Å; M68-P188 HydrophobicContact CE-CB 3.96Å; M68-P188 HydrophobicContact CE-CG 3.92Å; M68-P188 HydrophobicContact CG-CG 4.27Å; M68-T277 HydrophobicContact SD-CG2 3.96Å; M68-L278 HydrophobicContact CE-CD1 3.88Å; M68-Q281 HydrophobicContact CG-CB 4.46Å; M68-Q281 HydrophobicContact CG-CG 3.81Å; M68-Q281 HydrophobicContact SD-CB 3.68Å; M68-Q281 HydrophobicContact SD-CG 3.68Å
69D95.3Very high89.2Confident19 Ų1950 Ų5010%0.10229%0.293CS..SBendtrans-63.7-31.1-171.5-51.4-57.6000113.1T85 D110 A113 T264D69-T85 PolarHBondContact O-OG1 3.49Å; D69-D110 HydrophobicContact CB-CB 4.02Å; D69-D110 VanDerWaalsContact O-CB 3.3Å; D69-D110 WeakPolarHBondContact O-CB 3.47Å; D69-A113 HydrophobicContact CB-CB 4.12Å; D69-T264 PolarHBondContact OD1-OG1 3.21Å; D69-T264 VanDerWaalsContact OD2-CA 3.28Å; D69-T264 WeakPolarHBondContact OD2-CA 3.47Å; D69-T264 WeakPolarHBondContact OD2-CB 3.32Å; D69-T264 PolarHBondContact OD2-OG1 3.16Å
70T97.3Very high90.8Very high5 Ų549.2 Ų49.23%0.03128%0.28CS..SBendtrans-131.6163.7175.769.70000110.9M68 V83 Q84 D110 L111 M114M68-T70 VanDerWaalsContact C-N 3.3Å; M68-T70 PolarHBondContact O-N 2.93Å; T70-V83 HydrophobicContact CG2-CG1 4.11Å; T70-Q84 WeakPolarHBondContact CA-O 3.28Å; T70-D110 HydrophobicContact CG2-CB 4.13Å; T70-D110 VanDerWaalsContact CG2-O 3.23Å; T70-D110 WeakPolarHBondContact CG2-O 3.5Å; T70-L111 HydrophobicContact CG2-CD2 4.14Å; T70-M114 HydrophobicContact CG2-CG 3.64Å; T70-M114 WeakPolarHBondContact OG1-CG 3.43Å
71C96.8Very high92.1Very high30 Ų3045.1 Ų45.120%0.20326%0.255CS..EExtended strand (participates in β ladder)trans-92.4148.7155.668.90000110.9L64 I73 V83 Q84L64-C71 CarbonylContact O-C 3.52Å; L64-C71 VanDerWaalsContact O-CA 3.24Å; L64-C71 WeakPolarHBondContact O-CA 3.43Å; L64-C71 WeakPolarHBondContact O-CB 3.43Å; C71-I73 HydrophobicContact CB-CD1 4.21Å; C71-I73 HydrophobicContact CB-CG1 4.24Å; C71-V83 WeakPolarHBondContact O-CA 3.29Å; C71-Q84 PolarHBondContact N-O 3.3Å; C71-Q84 VanDerWaalsContact N-O 3.08Å; C71-Q84 PolarHBondContact O-N 2.92Å; C71-Q84 WeakPolarHBondContact SG-CG 3.2Å
72V96.9Very high92.8Very high0 Ų046.3 Ų46.30%026%0.262CS..EExtended strand (participates in β ladder)trans-122.5110.3170.9-178.40000106.9R63 L64 L82 V83 M114 F185R63-V72 WeakPolarHBondContact CA-O 3.33Å; L64-V72 HydrophobicContact CB-CB 3.76Å; L64-V72 HydrophobicContact CB-CG2 3.85Å; L64-V72 HydrophobicContact CD2-CG2 4.29Å; L64-V72 PolarHBondContact N-O 3.34Å; L64-V72 PolarHBondContact O-N 3.12Å; V72-L82 WeakPolarHBondContact CA-O 3.38Å; V72-V83 HydrophobicContact CG1-CG2 4.5Å; V72-V83 HydrophobicContact CG2-CG2 4.28Å; V72-M114 HydrophobicContact CG2-CE 3.63Å; V72-F185 HydrophobicContact CG1-CE1 4.45Å; V72-F185 HydrophobicContact CG1-CE2 4.07Å; V72-F185 HydrophobicContact CG1-CZ 3.97Å
73I95.6Very high93.3Very high51 Ų5144.7 Ų44.726%0.26225%0.251SS..EExtended strand (participates in β ladder)trans-119.7108-173.4-53.1-61.5000108.5C71 L75 S81 L82C71-I73 HydrophobicContact CB-CD1 4.21Å; C71-I73 HydrophobicContact CB-CG1 4.24Å; I73-L75 PolarHBondContact O-N 3.16Å; I73-S81 CarbonylContact O-C 3.59Å; I73-S81 WeakPolarHBondContact O-CA 3.11Å; I73-L82 HydrophobicContact CB-CB 4.28Å; I73-L82 PolarHBondContact N-O 3.27Å; I73-L82 PolarHBondContact O-N 3.19Å
74P94.3Very high93.7Very high9 Ų946 Ų466%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-57.3134.1175.5-20.228.7000111.5M61 R63M61-P74 HydrophobicContact CB-CB 4.01Å; M61-P74 HydrophobicContact CB-CG 3.91Å; M61-P74 HydrophobicContact CE-CB 3.55Å; M61-P74 HydrophobicContact SD-CB 4.05Å; R63-P74 HydrophobicContact CB-CG 4.45Å
75L93.4Very high94Very high50 Ų5046.4 Ų46.426%0.26226%0.262SS..  trans-91.3157.2-179.8-65.7178.8000110.4I73 H77 L80 L82 V179I73-L75 PolarHBondContact O-N 3.16Å; L75-H77 PolarHBondContact O-N 3.31Å; L75-L80 HydrophobicContact CB-CB 4.38Å; L75-L80 WeakPolarHBondContact CB-O 3.2Å; L75-L80 HydrophobicContact CD1-CB 4.05Å; L75-L80 PolarHBondContact N-O 3.36Å; L75-L82 HydrophobicContact CD2-CB 4Å; L75-L82 HydrophobicContact CG-CB 4.33Å; L75-V179 HydrophobicContact CD1-CG1 3.69Å; L75-V179 HydrophobicContact CD1-CG2 4.31Å
76R90.3Very high94.4Very high230 Ų23048.4 Ų48.487%0.86827%0.265SS*.SBendtrans-66-5.8173.6-59.6178.4-177.2174.50.7113.4
77H89.4Confident94.8Very high137 Ų13744.6 Ų44.663%0.63425%0.246SC*.SBendtrans-118.6122.4-168.8-57.4-68.1000111L75 G79 L80L75-H77 PolarHBondContact O-N 3.31Å; H77-G79 VanDerWaalsContact C-N 3.31Å; H77-G79 PolarHBondContact O-N 3.49Å; H77-G79 VanDerWaalsContact O-N 3.07Å; H77-L80 WeakPolarHBondContact O-CB 3.5Å; H77-L80 WeakPolarHBondContact O-CG 3.14Å; H77-L80 PolarHBondContact O-N 2.85Å; H77-L80 VanDerWaalsContact O-N 3.08Å
78G86.1Confident95.3Very high55 Ų5548.2 Ų48.257%0.56725%0.247SC*.THydrogen-bonded Turntrans59.226.3155.600000117.7L80G78-L80 PolarHBondContact O-N 3.31Å
79G89.3Confident95.4Very high14 Ų1448 Ų4814%0.14425%0.246CC..THydrogen-bonded Turntrans69.317.3-178.100000114.3H77H77-G79 VanDerWaalsContact C-N 3.31Å; H77-G79 PolarHBondContact O-N 3.49Å; H77-G79 VanDerWaalsContact O-N 3.07Å
80L96Very high95.5Very high41 Ų4148.9 Ų48.922%0.21525%0.248CC..  trans-83.8154.2179.4-62.2171.6000111.2L75 H77 G78 V179 C180 Q181L75-L80 HydrophobicContact CB-CB 4.38Å; L75-L80 WeakPolarHBondContact CB-O 3.2Å; L75-L80 HydrophobicContact CD1-CB 4.05Å; L75-L80 PolarHBondContact N-O 3.36Å; H77-L80 WeakPolarHBondContact O-CB 3.5Å; H77-L80 WeakPolarHBondContact O-CG 3.14Å; H77-L80 PolarHBondContact O-N 2.85Å; H77-L80 VanDerWaalsContact O-N 3.08Å; G78-L80 PolarHBondContact O-N 3.31Å; L80-V179 HydrophobicContact CB-CG1 3.8Å; L80-V179 HydrophobicContact CD1-CG1 3.87Å; L80-V179 HydrophobicContact CD2-CG1 4.22Å; L80-V179 HydrophobicContact CG-CG1 4.18Å; L80-C180 WeakPolarHBondContact CA-O 3.35Å; L80-Q181 HydrophobicContact CD2-CG 4.24Å
81S97.3Very high95.5Very high1 Ų149 Ų491%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-126.6136171.6-62.80000110.9I73 V179 C180I73-S81 CarbonylContact O-C 3.59Å; I73-S81 WeakPolarHBondContact O-CA 3.11Å; S81-V179 CarbonylContact O-C 3.57Å; S81-V179 WeakPolarHBondContact O-CA 3.4Å; S81-C180 PolarHBondContact N-O 3.3Å; S81-C180 PolarHBondContact O-N 3.2Å
82L98.3Very high95.4Very high38 Ų3848.5 Ų48.520%0.19924%0.244CC..EExtended strand (participates in β ladder)trans-74.5123.7166.7176.474.3000108.3V72 I73 L75 Q84 T177V72-L82 WeakPolarHBondContact CA-O 3.38Å; I73-L82 HydrophobicContact CB-CB 4.28Å; I73-L82 PolarHBondContact N-O 3.27Å; I73-L82 PolarHBondContact O-N 3.19Å; L75-L82 HydrophobicContact CD2-CB 4Å; L75-L82 HydrophobicContact CG-CB 4.33Å; L82-Q84 HydrophobicContact CD2-CG 4.32Å; L82-Q84 HydrophobicContact CG-CG 4.36Å; L82-T177 HydrophobicContact CD1-CG2 3.4Å
83V98.6Very high95.4Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-115.8119.6170.8-171.80000108T70 C71 V72 L111 V116 T177 T178 C180 F185T70-V83 HydrophobicContact CG2-CG1 4.11Å; C71-V83 WeakPolarHBondContact O-CA 3.29Å; V72-V83 HydrophobicContact CG1-CG2 4.5Å; V72-V83 HydrophobicContact CG2-CG2 4.28Å; V83-L111 HydrophobicContact CB-CD2 4.45Å; V83-L111 HydrophobicContact CG1-CD2 3.8Å; V83-V116 HydrophobicContact CG1-CG2 4.41Å; V83-T177 WeakPolarHBondContact O-CA 3.42Å; V83-T178 HydrophobicContact CB-CG2 4.49Å; V83-T178 PolarHBondContact N-O 3.35Å; V83-T178 PolarHBondContact O-N 2.98Å; V83-T178 VanDerWaalsContact O-O 3.12Å; V83-C180 HydrophobicContact CG2-CB 4.07Å; V83-F185 HydrophobicContact CG2-CD1 4.39Å
84Q98.8Very high95.5Very high72 Ų7246.7 Ų46.734%0.33623%0.234SC..EExtended strand (participates in β ladder)trans-148.3157.7-179.566.3174.56.300113.1T70 C71 L82 A176 T177T70-Q84 WeakPolarHBondContact CA-O 3.28Å; C71-Q84 PolarHBondContact N-O 3.3Å; C71-Q84 VanDerWaalsContact N-O 3.08Å; C71-Q84 PolarHBondContact O-N 2.92Å; C71-Q84 WeakPolarHBondContact SG-CG 3.2Å; L82-Q84 HydrophobicContact CD2-CG 4.32Å; L82-Q84 HydrophobicContact CG-CG 4.36Å; Q84-A176 VanDerWaalsContact CA-O 3.25Å; Q84-A176 WeakPolarHBondContact CA-O 3.49Å; Q84-T177 HydrophobicContact CB-CG2 4.09Å
85T98.8Very high95.6Very high16 Ų1646.7 Ų46.710%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-146.9162.8176.5-176.90000111D69 V107 D110 L111 V175 A176D69-T85 PolarHBondContact O-OG1 3.49Å; T85-V107 WeakPolarHBondContact CG2-O 3.41Å; T85-D110 HydrophobicContact CG2-CB 3.51Å; T85-D110 WeakPolarHBondContact OG1-CB 3.45Å; T85-D110 PolarHBondContact OG1-OD2 2.97Å; T85-L111 HydrophobicContact CG2-CD2 4.44Å; T85-L111 HydrophobicContact CG2-CG 4.2Å; T85-V175 WeakPolarHBondContact O-CA 3.05Å; T85-V175 WeakPolarHBondContact O-CG1 3.45Å; T85-A176 HydrophobicContact CG2-CB 4.24Å; T85-A176 PolarHBondContact N-O 3.44Å; T85-A176 PolarHBondContact O-N 3.19Å; T85-A176 VanDerWaalsContact O-N 3.09Å
86T98.8Very high95.9Very high85 Ų8544.3 Ų44.352%0.52122%0.222SC..EExtended strand (participates in β ladder)trans-140.6137.3171.6-172.50000109.8G174T86-G174 WeakPolarHBondContact CA-O 3.3Å; T86-G174 PolarHBondContact OG1-O 2.83Å
87D98.1Very high96.3Very high15 Ų1535.2 Ų35.28%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-147157.7169.4-152.5-9.1000110K32 N106 V107 G173 G174K32-D87 IonicContact NZ-OD1 3.96Å; K32-D87 IonicContact NZ-OD2 3.36Å; K32-D87 PolarHBondContact NZ-OD2 3.4Å; D87-N106 VanDerWaalsContact CG-ND2 3.3Å; D87-N106 PolarHBondContact OD2-ND2 3.22Å; D87-V107 WeakPolarHBondContact O-CG2 3.37Å; D87-G173 CarbonylContact O-C 3.49Å; D87-G173 WeakPolarHBondContact O-CA 3.5Å; D87-G174 PolarHBondContact N-O 3.46Å; D87-G174 PolarHBondContact O-N 3.38Å
88Y98Very high96.7Very high121 Ų12129.6 Ų29.648%0.47516%0.162SC..EExtended strand (participates in β ladder)trans-147.5148.8171.169.6-90.8000111.1Y90 V171 M172Y88-Y90 HydrophobicContact CE2-CE2 4.43Å; Y88-V171 HydrophobicContact CD2-CG1 3.66Å; Y88-V171 HydrophobicContact CE2-CG1 4.5Å; Y88-V171 HydrophobicContact CG-CG1 4.06Å; Y88-M172 WeakPolarHBondContact CA-O 3.4Å
89I97.1Very high97.3Very high19 Ų1927 Ų2710%0.09714%0.135CC..EExtended strand (participates in β ladder)trans-134.5169.4-179.259.5177.4000110.5M99 I102 A103 M172 T320I89-M99 HydrophobicContact CD1-CE 3.39Å; I89-M99 HydrophobicContact CG1-CE 3.91Å; I89-I102 HydrophobicContact CD1-CG2 4.08Å; I89-A103 HydrophobicContact CD1-CB 4.34Å; I89-A103 HydrophobicContact CG1-CB 4.38Å; I89-M172 PolarHBondContact N-O 2.89Å; I89-M172 PolarHBondContact O-N 3.02Å; I89-T320 HydrophobicContact CD1-CG2 3.7Å; I89-T320 HydrophobicContact CG2-CG2 4.38Å
90Y97.4Very high97.8Very high38 Ų3826.3 Ų26.315%0.14913%0.128CC..  trans-105.7165.7173.8-54.6-77.2000109.7C31 Y88 I92 W169 V170 V171C31-Y90 HydrophobicContact CB-CD2 3.67Å; C31-Y90 HydrophobicContact CB-CE2 3.6Å; C31-Y90 VanDerWaalsContact SG-CD2 3.6Å; Y88-Y90 HydrophobicContact CE2-CE2 4.43Å; Y90-I92 PolarHBondContact O-N 3.14Å; Y90-W169 HydrophobicContact CD1-CB 4Å; Y90-W169 AromaticContact CD1-CE3 3.88Å; Y90-W169 HydrophobicContact CD1-CE3 3.88Å; Y90-W169 HydrophobicContact CE1-CB 4.21Å; Y90-W169 HydrophobicContact CE1-CD2 4.49Å; Y90-W169 AromaticContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CZ3 4.33Å; Y90-W169 HydrophobicContact CE2-CE3 4.31Å; Y90-W169 HydrophobicContact CE2-CZ3 4.41Å; Y90-W169 HydrophobicContact CG-CE3 4.39Å; Y90-W169 AromaticContact CZ-CE3 3.79Å; Y90-V170 WeakPolarHBondContact CD1-O 3.39Å; Y90-V171 HydrophobicContact CD1-CG2 4.13Å; Y90-V171 HydrophobicContact CE1-CG2 3.72Å
91P96.8Very high97.9Very high6 Ų625.3 Ų25.34%0.03912%0.121CC..  trans-55.1121.9177.3-30.235.2000114.3L20 V170 M172L20-P91 HydrophobicContact CB-CB 4.5Å; L20-P91 HydrophobicContact CD1-CG 4.38Å; L20-P91 HydrophobicContact CD2-CB 4.27Å; L20-P91 HydrophobicContact CD2-CG 4.42Å; L20-P91 HydrophobicContact CG-CB 3.8Å; L20-P91 HydrophobicContact CG-CG 3.89Å; L20-P91 WeakPolarHBondContact O-CB 3.4Å; P91-V170 WeakPolarHBondContact CD-O 3.39Å; P91-V170 HydrophobicContact CG-CB 3.66Å; P91-V170 HydrophobicContact CG-CG1 3.93Å; P91-V170 HydrophobicContact CG-CG2 4.47Å; P91-M172 HydrophobicContact CB-CE 4.31Å; P91-M172 HydrophobicContact CG-CE 3.67Å
92I95.1Very high98Very high21 Ų2125.3 Ų25.311%0.10812%0.121CC..  trans-115.7-21.2174.255.3164.7000112.9Y90 M99 I102 V209 M244 T320Y90-I92 PolarHBondContact O-N 3.14Å; I92-M99 HydrophobicContact CG1-CE 3.89Å; I92-M99 HydrophobicContact CG1-SD 3.73Å; I92-M99 PolarHBondContact N-SD 3.46Å; I92-I102 HydrophobicContact CD1-CG2 4.35Å; I92-V209 HydrophobicContact CB-CG2 4.32Å; I92-V209 WeakPolarHBondContact O-CB 3.42Å; I92-M244 HydrophobicContact CD1-CE 3.78Å; I92-M244 HydrophobicContact CD1-SD 3.47Å; I92-M244 WeakPolarHBondContact CD1-SD 3.28Å; I92-T320 HydrophobicContact CD1-CG2 3.59Å
93V96.6Very high98Very high0 Ų023.5 Ų23.50%011%0.112CC..SBendtrans-120.6153.1173.4-58.40000109.8M99 I102 V209 Y237 M241 M244V93-M99 HydrophobicContact CG2-CB 3.74Å; V93-M99 HydrophobicContact CG2-CG 4.32Å; V93-M99 HydrophobicContact CG2-SD 3.77Å; V93-I102 HydrophobicContact CG1-CD1 4.06Å; V93-I102 HydrophobicContact CG2-CD1 3.84Å; V93-V209 HydrophobicContact CG1-CG1 4.15Å; V93-Y237 WeakPolarHBondContact CA-OH 3.35Å; V93-Y237 HydrophobicContact CB-CE2 4.02Å; V93-Y237 VanDerWaalsContact CB-OH 3.31Å; V93-Y237 WeakPolarHBondContact CB-OH 3.44Å; V93-Y237 HydrophobicContact CG1-CE2 3.74Å; V93-M241 HydrophobicContact CB-SD 4.41Å; V93-M241 HydrophobicContact CG1-CB 4.35Å; V93-M241 HydrophobicContact CG1-CG 4.22Å; V93-M241 HydrophobicContact CG2-SD 4.47Å; V93-M244 HydrophobicContact CG1-CE 3.97Å
94D96.7Very high98Very high12 Ų1223.5 Ų23.56%0.06411%0.112CC..SBendtrans-87.4-16.7-177.3-70.5-54.5000114.2F7 R19 L20 T21 P96 H212 Y237F7-D94 WeakPolarHBondContact CD1-O 3.48Å; R19-D94 WeakPolarHBondContact CA-OD1 3.49Å; R19-D94 WeakPolarHBondContact CB-OD1 3.34Å; R19-D94 WeakPolarHBondContact CD-OD2 3.15Å; L20-D94 PolarHBondContact N-OD1 3.45Å; T21-D94 WeakPolarHBondContact CB-OD1 3.11Å; T21-D94 VanDerWaalsContact CG2-OD1 3.3Å; T21-D94 WeakPolarHBondContact CG2-OD1 3.18Å; T21-D94 PolarHBondContact N-OD1 2.98Å; T21-D94 PolarHBondContact OG1-OD1 3.22Å; T21-D94 PolarHBondContact OG1-OD2 3.04Å; D94-P96 WeakPolarHBondContact O-CD 3.12Å; D94-H212 IonicContact OD2-CE1 3.24Å; D94-Y237 PolarHBondContact N-OH 2.93Å
95D97.9Very high98Very high10 Ų1020.1 Ų20.15%0.05310%0.096CC..  trans-76.8111.3171.8-177.6-29.9000110.1R4 F7 Y97 M98 M99 M241R4-D95 IonicContact CZ-OD1 3.1Å; R4-D95 IonicContact CZ-OD2 2.65Å; R4-D95 VanDerWaalsContact NH1-CG 3.25Å; R4-D95 IonicContact NH1-OD1 2.63Å; R4-D95 PolarHBondContact NH1-OD1 3.33Å; R4-D95 IonicContact NH1-OD2 3.26Å; R4-D95 PolarHBondContact NH1-OD2 3.45Å; R4-D95 IonicContact NH2-OD1 3.26Å; R4-D95 PolarHBondContact NH2-OD1 3.31Å; R4-D95 IonicContact NH2-OD2 3.52Å; R4-D95 PolarHBondContact NH2-OD2 3.47Å; F7-D95 HydrophobicContact CB-CB 3.77Å; F7-D95 HydrophobicContact CG-CB 4.48Å; D95-Y97 PolarHBondContact O-N 3.37Å; D95-Y97 PolarHBondContact OD1-N 2.96Å; D95-M98 HydrophobicContact CB-CB 4.06Å; D95-M98 HydrophobicContact CB-CG 4.27Å; D95-M98 PolarHBondContact O-N 3.19Å; D95-M98 PolarHBondContact OD1-N 3.13Å; D95-M99 WeakPolarHBondContact O-CB 3.36Å; D95-M99 PolarHBondContact O-N 3.08Å; D95-M241 HydrophobicContact CB-SD 4.17Å
96P98.4Very high98Very high0 Ų019.5 Ų19.50%09%0.092CC..Hα-helixtrans-67.2-34.8-172.3-20.533.8000113.8F7 L20 D94 M99 G100 V140 L143 I144F7-P96 VanDerWaalsContact CD2-CD 3.48Å; F7-P96 HydrophobicContact CD2-CG 4.34Å; F7-P96 HydrophobicContact CE1-CG 4.33Å; F7-P96 HydrophobicContact CE2-CG 3.88Å; F7-P96 HydrophobicContact CZ-CG 3.87Å; L20-P96 HydrophobicContact CD2-CB 4.17Å; L20-P96 HydrophobicContact CD2-CG 4.4Å; D94-P96 WeakPolarHBondContact O-CD 3.12Å; P96-M99 PolarHBondContact O-N 3.29Å; P96-G100 PolarHBondContact O-N 2.74Å; P96-V140 HydrophobicContact CB-CG1 3.89Å; P96-V140 HydrophobicContact CG-CG1 3.92Å; P96-L143 HydrophobicContact CB-CB 3.9Å; P96-L143 HydrophobicContact CB-CD1 4.34Å; P96-L143 HydrophobicContact CG-CD1 4.26Å; P96-I144 HydrophobicContact CB-CD1 4.44Å; P96-I144 HydrophobicContact CB-CG1 3.77Å; P96-I144 VanDerWaalsContact O-CA 3.32Å; P96-I144 WeakPolarHBondContact O-CA 3.43Å; P96-I144 VanDerWaalsContact O-CG1 3.26Å; P96-I144 WeakPolarHBondContact O-CG1 3.37Å
97Y98.7Very high98Very high39 Ų3915.5 Ų15.515%0.1537%0.068CC..Hα-helixtrans-68.9-44.6177.5169.5-79.7000111R4 D95 M99 G100 R101 L143 Q146 G147 D150R4-Y97 VanDerWaalsContact NH2-CB 3.33Å; D95-Y97 PolarHBondContact O-N 3.37Å; D95-Y97 PolarHBondContact OD1-N 2.96Å; Y97-M99 VanDerWaalsContact C-N 3.28Å; Y97-M99 PolarHBondContact O-N 3.45Å; Y97-G100 PolarHBondContact O-N 2.96Å; Y97-G100 VanDerWaalsContact O-N 3.14Å; Y97-R101 HydrophobicContact CD1-CG 4.42Å; Y97-R101 HydrophobicContact CE1-CG 3.94Å; Y97-R101 PolarHBondContact O-N 3.38Å; Y97-L143 VanDerWaalsContact CA-O 3.32Å; Y97-L143 WeakPolarHBondContact CA-O 3.49Å; Y97-Q146 HydrophobicContact CD2-CB 4.28Å; Y97-Q146 HydrophobicContact CD2-CG 4.19Å; Y97-Q146 HydrophobicContact CE2-CB 4.49Å; Y97-Q146 HydrophobicContact CE2-CG 3.99Å; Y97-G147 WeakPolarHBondContact O-CA 3.49Å; Y97-D150 HydrophobicContact CE2-CB 4.5Å; Y97-D150 WeakPolarHBondContact CE2-OD2 3.26Å; Y97-D150 WeakPolarHBondContact OH-CB 3.24Å; Y97-D150 PolarHBondContact OH-OD2 3.28Å
98M98.4Very high98Very high18 Ų1814.8 Ų14.89%0.0896%0.064CC..Hα-helixtrans-64.7-37.4176.5-70.2-56.6-6800111D95 G100 R101 I102 M241 L242 A245D95-M98 HydrophobicContact CB-CB 4.06Å; D95-M98 HydrophobicContact CB-CG 4.27Å; D95-M98 PolarHBondContact O-N 3.19Å; D95-M98 PolarHBondContact OD1-N 3.13Å; M98-G100 VanDerWaalsContact C-N 3.3Å; M98-G100 PolarHBondContact O-N 3.05Å; M98-R101 PolarHBondContact O-N 2.8Å; M98-I102 WeakPolarHBondContact O-CB 3.41Å; M98-I102 WeakPolarHBondContact O-CD1 3.45Å; M98-I102 WeakPolarHBondContact O-CG1 3.29Å; M98-I102 PolarHBondContact O-N 3.36Å; M98-M241 HydrophobicContact CB-CG 3.72Å; M98-M241 HydrophobicContact CB-SD 3.49Å; M98-M241 WeakPolarHBondContact CB-SD 3.48Å; M98-M241 HydrophobicContact CE-CG 3.84Å; M98-M241 HydrophobicContact CG-CE 4.03Å; M98-M241 HydrophobicContact CG-CG 4.04Å; M98-M241 HydrophobicContact CG-SD 3.61Å; M98-L242 HydrophobicContact CE-CD2 4.17Å; M98-A245 HydrophobicContact CE-CB 3.55Å
99M98.4Very high98.1Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-58.8-41.7173.1-168.965.6-120.500111.9L20 I89 I92 V93 D95 P96 Y97 I102 A103 M172L20-M99 HydrophobicContact CD2-CB 3.93Å; L20-M99 HydrophobicContact CD2-CG 3.94Å; I89-M99 HydrophobicContact CD1-CE 3.39Å; I89-M99 HydrophobicContact CG1-CE 3.91Å; I92-M99 HydrophobicContact CG1-CE 3.89Å; I92-M99 HydrophobicContact CG1-SD 3.73Å; I92-M99 PolarHBondContact N-SD 3.46Å; V93-M99 HydrophobicContact CG2-CB 3.74Å; V93-M99 HydrophobicContact CG2-CG 4.32Å; V93-M99 HydrophobicContact CG2-SD 3.77Å; D95-M99 WeakPolarHBondContact O-CB 3.36Å; D95-M99 PolarHBondContact O-N 3.08Å; P96-M99 PolarHBondContact O-N 3.29Å; Y97-M99 VanDerWaalsContact C-N 3.28Å; Y97-M99 PolarHBondContact O-N 3.45Å; M99-I102 HydrophobicContact CE-CB 4.44Å; M99-I102 HydrophobicContact CE-CG2 4.27Å; M99-I102 PolarHBondContact O-N 3.03Å; M99-A103 WeakPolarHBondContact O-CB 3.21Å; M99-A103 PolarHBondContact O-N 2.84Å; M99-M172 HydrophobicContact CB-SD 4.42Å; M99-M172 HydrophobicContact CE-CE 3.77Å; M99-M172 HydrophobicContact CG-CE 3.46Å; M99-M172 VanDerWaalsContact CG-CE 3.46Å; M99-M172 HydrophobicContact CG-SD 3.48Å; M99-M172 WeakPolarHBondContact CG-SD 3.4Å; M99-M172 HydrophobicContact SD-CE 4.05Å
100G98.8Very high98.2Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-61-46.5172.700000113.4P96 Y97 M98 I102 A103 C104 I144 F148P96-G100 PolarHBondContact O-N 2.74Å; Y97-G100 PolarHBondContact O-N 2.96Å; Y97-G100 VanDerWaalsContact O-N 3.14Å; M98-G100 VanDerWaalsContact C-N 3.3Å; M98-G100 PolarHBondContact O-N 3.05Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-I102 PolarHBondContact O-N 3.1Å; G100-A103 PolarHBondContact O-N 3.2Å; G100-C104 PolarHBondContact O-N 2.93Å; G100-C104 VanDerWaalsContact O-N 3.08Å; G100-I144 VanDerWaalsContact CA-O 3.32Å; G100-I144 WeakPolarHBondContact CA-O 3.38Å; G100-F148 WeakPolarHBondContact O-CA 3.08Å
101R98.8Very high98.2Very high21 Ų216.9 Ų6.98%0.0793%0.033CC..Hα-helixtrans-58.9-44.4173.8-80.5-159.764.7144.21.8111.9Y97 M98 C104 A105 G147 A151 E154 A245Y97-R101 HydrophobicContact CD1-CG 4.42Å; Y97-R101 HydrophobicContact CE1-CG 3.94Å; Y97-R101 PolarHBondContact O-N 3.38Å; M98-R101 PolarHBondContact O-N 2.8Å; R101-C104 PolarHBondContact O-N 2.93Å; R101-A105 VanDerWaalsContact O-CB 3.32Å; R101-A105 WeakPolarHBondContact O-CB 3.48Å; R101-A105 PolarHBondContact O-N 2.89Å; R101-G147 WeakPolarHBondContact CG-O 3.39Å; R101-A151 HydrophobicContact CB-CB 4.32Å; R101-A151 HydrophobicContact CG-CB 4.11Å; R101-E154 IonicContact CZ-OE2 2.64Å; R101-E154 IonicContact NH1-OE2 3.87Å; R101-E154 PolarHBondContact NH1-OE2 3.48Å; R101-E154 IonicContact NH2-OE1 3.81Å; R101-E154 IonicContact NH2-OE2 2.81Å; R101-E154 PolarHBondContact NH2-OE2 2.98Å; R101-A245 HydrophobicContact CB-CB 4.06Å
102I98.8Very high98.3Very high0 Ų06.7 Ų6.70%03%0.031CC..Hα-helixtrans-63.5-44.3179.1-68.7163.1000110.9I89 I92 V93 M98 M99 G100 C104 A105 N106 M241 M244 A245 T320I89-I102 HydrophobicContact CD1-CG2 4.08Å; I92-I102 HydrophobicContact CD1-CG2 4.35Å; V93-I102 HydrophobicContact CG1-CD1 4.06Å; V93-I102 HydrophobicContact CG2-CD1 3.84Å; M98-I102 WeakPolarHBondContact O-CB 3.41Å; M98-I102 WeakPolarHBondContact O-CD1 3.45Å; M98-I102 WeakPolarHBondContact O-CG1 3.29Å; M98-I102 PolarHBondContact O-N 3.36Å; M99-I102 HydrophobicContact CE-CB 4.44Å; M99-I102 HydrophobicContact CE-CG2 4.27Å; M99-I102 PolarHBondContact O-N 3.03Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-I102 PolarHBondContact O-N 3.1Å; I102-C104 VanDerWaalsContact C-N 3.35Å; I102-C104 PolarHBondContact O-N 2.63Å; I102-A105 PolarHBondContact O-N 3.22Å; I102-N106 WeakPolarHBondContact O-CB 3.39Å; I102-N106 PolarHBondContact O-N 2.78Å; I102-M241 HydrophobicContact CD1-CG 4.09Å; I102-M244 HydrophobicContact CB-CB 4.47Å; I102-M244 HydrophobicContact CD1-CB 4.01Å; I102-M244 HydrophobicContact CD1-CE 3.96Å; I102-M244 HydrophobicContact CG1-CB 3.74Å; I102-M244 HydrophobicContact CG2-CB 3.94Å; I102-A245 HydrophobicContact CG1-CB 4.01Å; I102-T320 HydrophobicContact CG2-CG2 4.09Å
103A98.8Very high98.5Very high1 Ų15.7 Ų5.71%0.0083%0.026CC..Hα-helixtrans-60.9-43.8177.900000111.6I89 M99 G100 N106 V107 F148 M172I89-A103 HydrophobicContact CD1-CB 4.34Å; I89-A103 HydrophobicContact CG1-CB 4.38Å; M99-A103 WeakPolarHBondContact O-CB 3.21Å; M99-A103 PolarHBondContact O-N 2.84Å; G100-A103 PolarHBondContact O-N 3.2Å; A103-N106 PolarHBondContact O-N 2.9Å; A103-V107 WeakPolarHBondContact O-CG2 3.36Å; A103-V107 PolarHBondContact O-N 3.4Å; A103-F148 HydrophobicContact CB-CD2 4.19Å; A103-F148 HydrophobicContact CB-CE2 4.28Å; A103-M172 HydrophobicContact CB-CB 3.68Å
104C98.9Very high98.6Very high0 Ų05.7 Ų5.70%03%0.026CC..Hα-helixtrans-63.7-47.9175-177.80000112.1G100 R101 I102 N106 V107 L108 F148 A151G100-C104 PolarHBondContact O-N 2.93Å; G100-C104 VanDerWaalsContact O-N 3.08Å; R101-C104 PolarHBondContact O-N 2.93Å; I102-C104 VanDerWaalsContact C-N 3.35Å; I102-C104 PolarHBondContact O-N 2.63Å; C104-N106 VanDerWaalsContact C-N 3.28Å; C104-N106 PolarHBondContact O-N 3.15Å; C104-V107 PolarHBondContact O-N 3.28Å; C104-L108 PolarHBondContact O-N 2.82Å; C104-F148 HydrophobicContact CB-CB 4.36Å; C104-F148 HydrophobicContact CB-CD1 3.76Å; C104-F148 HydrophobicContact CB-CD2 3.7Å; C104-F148 HydrophobicContact CB-CE1 3.87Å; C104-F148 HydrophobicContact CB-CE2 3.83Å; C104-F148 HydrophobicContact CB-CG 3.68Å; C104-F148 HydrophobicContact CB-CZ 3.91Å; C104-F148 PolarHBondContact SG-O 3.23Å; C104-A151 HydrophobicContact CB-CB 3.72Å
105A98.9Very high98.7Very high1 Ų15.1 Ų5.11%0.0082%0.023CC..Hα-helixtrans-60-38.1178.600000112.3R101 I102 L108 S109 M244 L247R101-A105 VanDerWaalsContact O-CB 3.32Å; R101-A105 WeakPolarHBondContact O-CB 3.48Å; R101-A105 PolarHBondContact O-N 2.89Å; I102-A105 PolarHBondContact O-N 3.22Å; A105-L108 PolarHBondContact O-N 3.11Å; A105-S109 WeakPolarHBondContact O-CB 3.42Å; A105-S109 PolarHBondContact O-N 3.19Å; A105-M244 WeakPolarHBondContact CB-O 3.5Å; A105-L247 HydrophobicContact CB-CD2 3.83Å
106N98.8Very high98.7Very high3 Ų34.8 Ų4.82%0.0162%0.021CC..Hα-helixtrans-63.3-46.4175.8-170.188.4000111.4D87 I102 A103 C104 L108 S109 S321D87-N106 VanDerWaalsContact CG-ND2 3.3Å; D87-N106 PolarHBondContact OD2-ND2 3.22Å; I102-N106 WeakPolarHBondContact O-CB 3.39Å; I102-N106 PolarHBondContact O-N 2.78Å; A103-N106 PolarHBondContact O-N 2.9Å; C104-N106 VanDerWaalsContact C-N 3.28Å; C104-N106 PolarHBondContact O-N 3.15Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 2.89Å; N106-S109 VanDerWaalsContact O-CB 3.26Å; N106-S109 WeakPolarHBondContact O-CB 3.47Å; N106-S109 PolarHBondContact O-N 3.35Å; N106-S321 PolarHBondContact N-OG 3.05Å; N106-S321 PolarHBondContact OD1-N 3.37Å
107V98.8Very high98.7Very high0 Ų06.7 Ų6.70%03%0.033CC..Hα-helixtrans-62.2-41.8177.8174.40000111.5T85 D87 A103 C104 S109 M122 G174 A176T85-V107 WeakPolarHBondContact CG2-O 3.41Å; D87-V107 WeakPolarHBondContact O-CG2 3.37Å; A103-V107 WeakPolarHBondContact O-CG2 3.36Å; A103-V107 PolarHBondContact O-N 3.4Å; C104-V107 PolarHBondContact O-N 3.28Å; V107-S109 VanDerWaalsContact C-N 3.28Å; V107-S109 PolarHBondContact O-N 2.93Å; V107-M122 HydrophobicContact CB-CE 4.06Å; V107-M122 HydrophobicContact CG1-CE 3.72Å; V107-G174 VanDerWaalsContact CG2-N 3.34Å; V107-A176 HydrophobicContact CG1-CB 3.94Å
108L98.9Very high98.7Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-73.2-20.6179.6-71.6165.7000113.3C104 A105 N106 D110 L111 Y112 C119 M122 A155 A176 L247C104-L108 PolarHBondContact O-N 2.82Å; A105-L108 PolarHBondContact O-N 3.11Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 2.89Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 2.93Å; L108-L111 PolarHBondContact O-N 2.92Å; L108-Y112 HydrophobicContact CB-CD2 4.19Å; L108-Y112 HydrophobicContact CB-CE2 3.54Å; L108-Y112 WeakPolarHBondContact O-CD2 3.23Å; L108-Y112 PolarHBondContact O-N 3.44Å; L108-C119 HydrophobicContact CD2-CB 3.89Å; L108-M122 HydrophobicContact CD1-CE 4.32Å; L108-M122 HydrophobicContact CD1-SD 4.04Å; L108-M122 HydrophobicContact CD2-CE 4.02Å; L108-M122 HydrophobicContact CD2-CG 4.45Å; L108-M122 HydrophobicContact CD2-SD 3.83Å; L108-M122 HydrophobicContact CG-CE 3.77Å; L108-M122 HydrophobicContact CG-SD 3.94Å; L108-A155 HydrophobicContact CD1-CB 3.5Å; L108-A176 HydrophobicContact CD2-CB 3.93Å; L108-L247 HydrophobicContact CD1-CD2 3.93Å
109S98.8Very high98.7Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-58.2-39.6-173.9-1690000112.7A105 N106 V107 Y112 A113 N248 D265A105-S109 WeakPolarHBondContact O-CB 3.42Å; A105-S109 PolarHBondContact O-N 3.19Å; N106-S109 VanDerWaalsContact O-CB 3.26Å; N106-S109 WeakPolarHBondContact O-CB 3.47Å; N106-S109 PolarHBondContact O-N 3.35Å; V107-S109 VanDerWaalsContact C-N 3.28Å; V107-S109 PolarHBondContact O-N 2.93Å; S109-Y112 CarbonylContact O-C 3.31Å; S109-Y112 WeakPolarHBondContact O-CB 3.31Å; S109-Y112 PolarHBondContact O-N 3.47Å; S109-A113 PolarHBondContact O-N 3.01Å; S109-N248 PolarHBondContact OG-ND2 3.45Å; S109-D265 WeakPolarHBondContact CB-OD2 3.32Å; S109-D265 WeakPolarHBondContact OG-CB 3.28Å; S109-D265 PolarHBondContact OG-OD2 2.95Å
110D98.6Very high98.7Very high13 Ų1313.3 Ų13.37%0.077%0.069CC..Hα-helixtrans-65.2-39.9178.5-72.1-31.6000113D69 T70 T85 L108 Y112 A113D69-D110 HydrophobicContact CB-CB 4.02Å; D69-D110 VanDerWaalsContact O-CB 3.3Å; D69-D110 WeakPolarHBondContact O-CB 3.47Å; T70-D110 HydrophobicContact CG2-CB 4.13Å; T70-D110 VanDerWaalsContact CG2-O 3.23Å; T70-D110 WeakPolarHBondContact CG2-O 3.5Å; T85-D110 HydrophobicContact CG2-CB 3.51Å; T85-D110 WeakPolarHBondContact OG1-CB 3.45Å; T85-D110 PolarHBondContact OG1-OD2 2.97Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 2.93Å; D110-Y112 VanDerWaalsContact C-N 3.27Å; D110-Y112 PolarHBondContact O-N 3.01Å; D110-A113 WeakPolarHBondContact O-CB 3.38Å; D110-A113 PolarHBondContact O-N 2.9Å
111L98.6Very high98.7Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-60.8-43.2173-72.9-173.1000110.3T70 V83 T85 L108 A113 M114 V116 C119 A176T70-L111 HydrophobicContact CG2-CD2 4.14Å; V83-L111 HydrophobicContact CB-CD2 4.45Å; V83-L111 HydrophobicContact CG1-CD2 3.8Å; T85-L111 HydrophobicContact CG2-CD2 4.44Å; T85-L111 HydrophobicContact CG2-CG 4.2Å; L108-L111 PolarHBondContact O-N 2.92Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 2.81Å; L111-M114 WeakPolarHBondContact O-CB 3.4Å; L111-M114 PolarHBondContact O-N 3.14Å; L111-V116 WeakPolarHBondContact O-CB 3.35Å; L111-V116 PolarHBondContact O-N 3.37Å; L111-C119 HydrophobicContact CD1-CB 4.03Å; L111-A176 HydrophobicContact CD1-CB 3.54Å; L111-A176 HydrophobicContact CG-CB 4.01Å
112Y98.9Very high98.7Very high1 Ų114.4 Ų14.40%0.0048%0.076CC..Hα-helixtrans-65.5-29.5178.2-59.5-38.2000112.8L108 S109 D110 M114 G115 V116 A155 L247 N248 R249 A252 M255 L324L108-Y112 HydrophobicContact CB-CD2 4.19Å; L108-Y112 HydrophobicContact CB-CE2 3.54Å; L108-Y112 WeakPolarHBondContact O-CD2 3.23Å; L108-Y112 PolarHBondContact O-N 3.44Å; S109-Y112 CarbonylContact O-C 3.31Å; S109-Y112 WeakPolarHBondContact O-CB 3.31Å; S109-Y112 PolarHBondContact O-N 3.47Å; D110-Y112 VanDerWaalsContact C-N 3.27Å; D110-Y112 PolarHBondContact O-N 3.01Å; Y112-M114 PolarHBondContact O-N 2.81Å; Y112-G115 PolarHBondContact O-N 3.37Å; Y112-V116 WeakPolarHBondContact CD1-O 3.47Å; Y112-A155 WeakPolarHBondContact OH-CB 3.38Å; Y112-L247 HydrophobicContact CE2-CB 4.02Å; Y112-L247 HydrophobicContact CE2-CD2 4.41Å; Y112-N248 HydrophobicContact CD2-CB 3.73Å; Y112-N248 HydrophobicContact CG-CB 4.05Å; Y112-R249 HydrophobicContact CD1-CB 4.18Å; Y112-R249 HydrophobicContact CD1-CG 4.44Å; Y112-R249 HydrophobicContact CE1-CB 3.66Å; Y112-R249 HydrophobicContact CE1-CG 3.74Å; Y112-R249 HydrophobicContact CE2-CB 4.04Å; Y112-A252 HydrophobicContact CD1-CB 4.03Å; Y112-A252 HydrophobicContact CG-CB 4.34Å; Y112-A252 WeakPolarHBondContact O-CB 3.32Å; Y112-M255 WeakPolarHBondContact O-CE 3.32Å; Y112-L324 WeakPolarHBondContact O-CD1 3.18Å
113A98.8Very high98.7Very high1 Ų117.4 Ų17.41%0.0089%0.092CC..Hα-helixtrans-62.9-25.317300000113D69 S109 D110 L111 G115 A263 D265 L324D69-A113 HydrophobicContact CB-CB 4.12Å; S109-A113 PolarHBondContact O-N 3.01Å; D110-A113 WeakPolarHBondContact O-CB 3.38Å; D110-A113 PolarHBondContact O-N 2.9Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 2.81Å; A113-G115 VanDerWaalsContact C-N 3.33Å; A113-A263 WeakPolarHBondContact O-CB 3.49Å; A113-D265 HydrophobicContact CB-CB 4.37Å; A113-L324 HydrophobicContact CB-CD2 4.04Å
114M98.4Very high98.7Very high0 Ų018.5 Ų18.50%010%0.098CC..THydrogen-bonded Turntrans-88.46.2173-63.5-66-64.800113.6L64 T70 V72 L111 Y112 V116 F185 I186 M187 P188L64-M114 HydrophobicContact CD2-CE 3.95Å; L64-M114 HydrophobicContact CD2-SD 4.07Å; T70-M114 HydrophobicContact CG2-CG 3.64Å; T70-M114 WeakPolarHBondContact OG1-CG 3.43Å; V72-M114 HydrophobicContact CG2-CE 3.63Å; L111-M114 WeakPolarHBondContact O-CB 3.4Å; L111-M114 PolarHBondContact O-N 3.14Å; Y112-M114 PolarHBondContact O-N 2.81Å; M114-V116 HydrophobicContact CB-CG2 4.04Å; M114-V116 PolarHBondContact O-N 2.91Å; M114-F185 HydrophobicContact CE-CD2 4.45Å; M114-F185 CarbonylContact O-C 3.55Å; M114-F185 WeakPolarHBondContact O-CA 3.45Å; M114-I186 WeakPolarHBondContact CE-O 3.15Å; M114-I186 PolarHBondContact O-N 3.35Å; M114-M187 HydrophobicContact CE-SD 4.28Å; M114-P188 HydrophobicContact SD-CG 3.97Å
115G98.5Very high98.7Very high0 Ų021.1 Ų21.10%011%0.111CC..THydrogen-bonded Turntrans745.4-176.500000114.4Y112 A113 T117 H256Y112-G115 PolarHBondContact O-N 3.37Å; A113-G115 VanDerWaalsContact C-N 3.33Å; G115-T117 PolarHBondContact O-N 2.86Å; G115-H256 PolarHBondContact O-CD2 3.49Å; G115-H256 PolarHBondContact O-NE2 2.92Å
116V98.8Very high98.7Very high2 Ų221.5 Ų21.51%0.01211%0.113CC..  trans-78.3115.7179.1177.40000108.9V83 L111 Y112 M114 E118 T178 F185V83-V116 HydrophobicContact CG1-CG2 4.41Å; L111-V116 WeakPolarHBondContact O-CB 3.35Å; L111-V116 PolarHBondContact O-N 3.37Å; Y112-V116 WeakPolarHBondContact CD1-O 3.47Å; M114-V116 HydrophobicContact CB-CG2 4.04Å; M114-V116 PolarHBondContact O-N 2.91Å; V116-E118 VanDerWaalsContact CG1-O 3.28Å; V116-E118 WeakPolarHBondContact CG1-O 3.39Å; V116-T178 HydrophobicContact CG1-CG2 3.57Å; V116-F185 HydrophobicContact CG2-CB 3.59Å
117T98.4Very high98.7Very high41 Ų4121.4 Ų21.425%0.25211%0.112SC..  trans-90.4-20.5-17659.90000114.3G115 R249 A252 G253G115-T117 PolarHBondContact O-N 2.86Å; T117-R249 PolarHBondContact O-NE 3.01Å; T117-A252 HydrophobicContact CG2-CB 4.14Å; T117-G253 VanDerWaalsContact CG2-CA 3.47Å
118E98.4Very high98.7Very high91 Ų9122.4 Ų22.443%0.42512%0.118SC..  trans-104.7148.6-176.9-54.8-48.8112.200110.7V116 T178 R249V116-E118 VanDerWaalsContact CG1-O 3.28Å; V116-E118 WeakPolarHBondContact CG1-O 3.39Å; E118-T178 PolarHBondContact O-OG1 3.05Å; E118-R249 VanDerWaalsContact CD-NH2 3.28Å; E118-R249 IonicContact OE1-CZ 2.83Å; E118-R249 IonicContact OE1-NE 2.88Å; E118-R249 IonicContact OE1-NH2 3.86Å; E118-R249 PolarHBondContact OE1-NH2 2.86Å; E118-R249 IonicContact OE2-NH2 3.58Å; E118-R249 PolarHBondContact OE2-NH2 2.89Å
119C98.8Very high98.7Very high7 Ų722.5 Ų22.55%0.04712%0.119CC..  trans-130.1111.9174.1174.10000107.4L108 L111 N121 T157L108-C119 HydrophobicContact CD2-CB 3.89Å; L111-C119 HydrophobicContact CD1-CB 4.03Å; C119-N121 VanDerWaalsContact C-N 3.34Å; C119-N121 PolarHBondContact O-N 2.86Å; C119-N121 PolarHBondContact SG-O 2.67Å; C119-T157 HydrophobicContact CB-CG2 4.09Å; C119-T157 WeakPolarHBondContact O-CB 3.34Å; C119-T157 PolarHBondContact O-OG1 3.19Å
120D98.8Very high98.6Very high98 Ų9827.2 Ų27.252%0.52415%0.145SC..SBendtrans-67.9-36.6-178-66.5-46.1000111.9T177 T178 V179D120-T177 PolarHBondContact N-O 2.92Å; D120-T177 VanDerWaalsContact N-O 3.08Å; D120-T178 PolarHBondContact N-OG1 2.75Å; D120-T178 WeakPolarHBondContact OD2-CA 3.37Å; D120-T178 PolarHBondContact OD2-OG1 3.34Å; D120-V179 PolarHBondContact OD2-N 3.47Å
121N98.8Very high98.5Very high43 Ų4331.7 Ų31.723%0.2316%0.163CC..EExtended strand (participates in β ladder)trans-153.3140.9-175.8-172.377.3000113.5C119 T160 T177C119-N121 VanDerWaalsContact C-N 3.34Å; C119-N121 PolarHBondContact O-N 2.86Å; C119-N121 PolarHBondContact SG-O 2.67Å; N121-T160 PolarHBondContact ND2-OG1 2.89Å; N121-T160 WeakPolarHBondContact OD1-CB 3.4Å; N121-T160 WeakPolarHBondContact OD1-CG2 3.42Å; N121-T160 PolarHBondContact OD1-OG1 3.17Å; N121-T177 PolarHBondContact N-O 3.46Å; N121-T177 VanDerWaalsContact N-O 3.09Å; N121-T177 PolarHBondContact O-N 2.83Å
122M98.9Very high98.5Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-115.3147.3166.3-64.2-168.381.900113.2V107 L108 F148 T157 S158 V159 T160 V175 A176V107-M122 HydrophobicContact CB-CE 4.06Å; V107-M122 HydrophobicContact CG1-CE 3.72Å; L108-M122 HydrophobicContact CD1-CE 4.32Å; L108-M122 HydrophobicContact CD1-SD 4.04Å; L108-M122 HydrophobicContact CD2-CE 4.02Å; L108-M122 HydrophobicContact CD2-CG 4.45Å; L108-M122 HydrophobicContact CD2-SD 3.83Å; L108-M122 HydrophobicContact CG-CE 3.77Å; L108-M122 HydrophobicContact CG-SD 3.94Å; M122-F148 HydrophobicContact CE-CE1 3.78Å; M122-F148 HydrophobicContact CE-CZ 3.82Å; M122-F148 HydrophobicContact SD-CE1 4.2Å; M122-T157 HydrophobicContact CG-CG2 3.63Å; M122-T157 HydrophobicContact SD-CG2 3.63Å; M122-S158 PolarHBondContact N-O 3.17Å; M122-S158 VanDerWaalsContact N-O 3.08Å; M122-V159 HydrophobicContact CB-CG2 4.21Å; M122-V159 WeakPolarHBondContact O-CA 3.4Å; M122-T160 PolarHBondContact O-N 2.85Å; M122-T160 VanDerWaalsContact O-N 3.14Å; M122-V175 CarbonylContact C-O 3.45Å; M122-V175 WeakPolarHBondContact CA-O 3.45Å; M122-A176 HydrophobicContact CE-CB 4.34Å; M122-A176 HydrophobicContact CG-CB 4.5Å
123L98.9Very high98.4Very high63 Ų6335.1 Ų35.133%0.3319%0.186SC..EExtended strand (participates in β ladder)trans-114.7145.3163.1-57.5175.6000109.4G161 G174 V175L123-G161 VanDerWaalsContact CA-O 3.31Å; L123-G161 WeakPolarHBondContact CA-O 3.06Å; L123-G174 CarbonylContact O-C 3.52Å; L123-G174 WeakPolarHBondContact O-CA 3.4Å; L123-V175 HydrophobicContact CB-CB 4.12Å; L123-V175 HydrophobicContact CB-CG2 4.37Å; L123-V175 HydrophobicContact CD1-CB 4.42Å; L123-V175 HydrophobicContact CD1-CG2 4.44Å; L123-V175 HydrophobicContact CG-CB 4.48Å; L123-V175 PolarHBondContact N-O 3.18Å; L123-V175 PolarHBondContact O-N 3.05Å
124M98.8Very high98.4Very high25 Ų2541.9 Ų41.912%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-105.3130.4177.5-173175.461.700111.6L126 I145 F148 V159 G161 G162 Q163M124-L126 HydrophobicContact CE-CD2 4.21Å; M124-I145 HydrophobicContact CE-CD1 4.48Å; M124-I145 HydrophobicContact CE-CG1 3.96Å; M124-I145 HydrophobicContact CE-CG2 4.3Å; M124-I145 HydrophobicContact SD-CG1 4.36Å; M124-F148 HydrophobicContact CG-CD2 4.38Å; M124-F148 HydrophobicContact CG-CE2 4.36Å; M124-F148 HydrophobicContact CG-CZ 4.49Å; M124-F148 HydrophobicContact SD-CB 4.3Å; M124-F148 HydrophobicContact SD-CD1 4.44Å; M124-F148 HydrophobicContact SD-CD2 4.36Å; M124-F148 HydrophobicContact SD-CG 4.11Å; M124-V159 HydrophobicContact CB-CG1 3.75Å; M124-G161 PolarHBondContact N-O 2.6Å; M124-G162 CarbonylContact O-C 3.5Å; M124-G162 WeakPolarHBondContact O-CA 3.43Å; M124-Q163 PolarHBondContact O-N 2.89Å
125L98.8Very high98.3Very high54 Ų5446.8 Ų46.828%0.28324%0.239SC..EExtended strand (participates in β ladder)trans-105119.2173.9-59.8175.8000108.7G173L125-G173 PolarHBondContact N-O 3.37Å; L125-G173 PolarHBondContact O-N 3.32Å
126L98.6Very high98.3Very high10 Ų1047.9 Ų47.95%0.05224%0.244CC..EExtended strand (participates in β ladder)trans-132127.4-172.1-156.765.5000112.3M124 M141 I144 I145 Q163 T164 V165 V171 M172M124-L126 HydrophobicContact CE-CD2 4.21Å; L126-M141 HydrophobicContact CD1-CE 3.62Å; L126-M141 HydrophobicContact CD2-CE 3.51Å; L126-M141 HydrophobicContact CG-CE 3.56Å; L126-I144 HydrophobicContact CD1-CG2 4.39Å; L126-I145 HydrophobicContact CD2-CD1 4.15Å; L126-I145 HydrophobicContact CD2-CG1 4.16Å; L126-Q163 PolarHBondContact N-O 2.84Å; L126-T164 HydrophobicContact CB-CG2 4.18Å; L126-T164 HydrophobicContact CD2-CG2 4.18Å; L126-T164 HydrophobicContact CG-CG2 4.41Å; L126-T164 CarbonylContact O-C 3.07Å; L126-T164 VanDerWaalsContact O-CA 3.24Å; L126-T164 WeakPolarHBondContact O-CA 3.41Å; L126-V165 PolarHBondContact O-N 2.89Å; L126-V171 CarbonylContact C-O 3.6Å; L126-V171 WeakPolarHBondContact CA-O 3.48Å; L126-M172 HydrophobicContact CD1-CG 4.04Å
127G98.6Very high98.3Very high0 Ų052 Ų520%026%0.259CS..EExtended strand (participates in β ladder)trans-112121.8170.800000109.6V165 V170 V171G127-V165 CarbonylContact C-O 3.58Å; G127-V165 WeakPolarHBondContact CA-O 3.31Å; G127-V170 VanDerWaalsContact O-CA 3.28Å; G127-V170 WeakPolarHBondContact O-CA 3.44Å; G127-V171 PolarHBondContact N-O 3.26Å; G127-V171 PolarHBondContact O-N 3.45Å
128V98.5Very high98.3Very high21 Ų2154.4 Ų54.413%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-92.8126.1173.1179.80000108.6N130 R137 M141 T164 V165 V166 N167V128-N130 PolarHBondContact O-N 3.08Å; V128-R137 HydrophobicContact CG1-CG 3.78Å; V128-M141 HydrophobicContact CG2-CE 4.1Å; V128-M141 HydrophobicContact CG2-CG 4.38Å; V128-M141 HydrophobicContact CG2-SD 4.38Å; V128-T164 HydrophobicContact CG2-CG2 3.88Å; V128-V165 PolarHBondContact N-O 3.3Å; V128-V166 WeakPolarHBondContact O-CA 3.19Å; V128-N167 PolarHBondContact O-N 3.42Å; V128-N167 VanDerWaalsContact O-O 3.11Å
129S98.1Very high98.3Very high3 Ų353.4 Ų53.42%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-64.7126.4-178.8-1780000111.3F23 K131 M132 N167 P168F23-S129 WeakPolarHBondContact CD1-OG 3.46Å; S129-K131 PolarHBondContact O-N 3.19Å; S129-K131 PolarHBondContact OG-N 2.91Å; S129-M132 WeakPolarHBondContact O-CB 3.49Å; S129-M132 PolarHBondContact O-N 2.91Å; S129-M132 VanDerWaalsContact O-N 3.11Å; S129-N167 CarbonylContact C-O 2.98Å; S129-N167 WeakPolarHBondContact CA-O 3.24Å; S129-P168 PolarHBondContact OG-O 3.24Å
130N97.2Very high98.3Very high99 Ų9953.1 Ų53.153%0.52926%0.262SS..THydrogen-bonded Turntrans-69.1-7.4172.171-1.3000113.7V128 V166 N167 P168V128-N130 PolarHBondContact O-N 3.08Å; N130-V166 HydrophobicContact CB-CG1 3.64Å; N130-N167 PolarHBondContact N-O 2.78Å; N130-P168 WeakPolarHBondContact OD1-CA 3.29Å
131K97.6Very high98.3Very high106 Ų10649 Ų4946%0.46124%0.24SC..THydrogen-bonded Turntrans-92.3-8.5174.3-55.4176.9-177.8176.40112.1F23 E25 S129F23-K131 HydrophobicContact CD1-CB 4.2Å; F23-K131 HydrophobicContact CE1-CB 4.26Å; E25-K131 IonicContact OE1-NZ 2.75Å; E25-K131 PolarHBondContact OE1-NZ 2.95Å; S129-K131 PolarHBondContact O-N 3.19Å; S129-K131 PolarHBondContact OG-N 2.91Å
132M97.1Very high98.3Very high17 Ų1750.2 Ų50.28%0.08425%0.251CS..SBendtrans-85.6133.2178.4-171.1176.8-77.500109.4L20 F23 S129 E136 R137 V140 V170L20-M132 HydrophobicContact CD1-CE 4.22Å; F23-M132 HydrophobicContact CD1-CB 4.41Å; F23-M132 HydrophobicContact CD2-CE 3.6Å; F23-M132 HydrophobicContact CE1-CB 3.76Å; F23-M132 HydrophobicContact CE1-CE 4.39Å; F23-M132 HydrophobicContact CE1-CG 4.32Å; F23-M132 HydrophobicContact CE2-CE 3.35Å; F23-M132 HydrophobicContact CE2-CG 4.47Å; F23-M132 HydrophobicContact CG-CE 4.22Å; F23-M132 HydrophobicContact CZ-CB 3.87Å; F23-M132 HydrophobicContact CZ-CE 3.74Å; F23-M132 HydrophobicContact CZ-CG 3.91Å; S129-M132 WeakPolarHBondContact O-CB 3.49Å; S129-M132 PolarHBondContact O-N 2.91Å; S129-M132 VanDerWaalsContact O-N 3.11Å; M132-E136 HydrophobicContact CG-CB 3.33Å; M132-E136 HydrophobicContact CG-CG 4.49Å; M132-E136 HydrophobicContact SD-CB 4.11Å; M132-R137 HydrophobicContact CG-CB 4.34Å; M132-R137 WeakPolarHBondContact SD-CA 3.22Å; M132-R137 HydrophobicContact SD-CB 3.99Å; M132-R137 PolarHBondContact SD-N 3.41Å; M132-R137 VanDerWaalsContact SD-N 3.43Å; M132-V140 HydrophobicContact CE-CG1 4.16Å; M132-V170 HydrophobicContact CE-CG2 4Å
133S98Very high98.2Very high56 Ų5651.7 Ų51.739%0.39226%0.258SS..  trans-67.4159.5172.765.90000111.1K135 E136 R137S133-K135 PolarHBondContact O-N 3.16Å; S133-E136 PolarHBondContact N-OE2 3.31Å; S133-E136 PolarHBondContact O-N 3.13Å; S133-E136 VanDerWaalsContact O-N 3.16Å; S133-E136 WeakPolarHBondContact OG-CB 3.01Å; S133-E136 VanDerWaalsContact OG-CG 3.24Å; S133-E136 WeakPolarHBondContact OG-CG 3.32Å; S133-E136 PolarHBondContact OG-N 3.13Å; S133-E136 PolarHBondContact OG-OE2 2.86Å; S133-R137 PolarHBondContact O-N 3.37Å
134E97.8Very high98.2Very high143 Ų14348.7 Ų48.767%0.66824%0.243SC*.Hα-helixtrans-57.9-39.5176.5-63.5-175.5162.100111.9R137 D138E134-R137 WeakPolarHBondContact O-CB 3.48Å; E134-R137 PolarHBondContact O-N 3.17Å; E134-D138 WeakPolarHBondContact O-CB 3.21Å; E134-D138 VanDerWaalsContact O-CG 3.25Å; E134-D138 PolarHBondContact O-N 3.13Å
135K97.9Very high98.2Very high104 Ų10450.8 Ų50.845%0.45225%0.253SS..Hα-helixtrans-60.9-47.6175.6-172.3-177.9-171.6-174.20111.8E13 S133 D138 K139E13-K135 WeakPolarHBondContact O-CE 3.35Å; E13-K135 PolarHBondContact O-NZ 3.31Å; E13-K135 IonicContact OE2-NZ 3.52Å; S133-K135 PolarHBondContact O-N 3.16Å; K135-D138 PolarHBondContact O-N 3.11Å; K135-K139 VanDerWaalsContact O-CG 3.26Å; K135-K139 WeakPolarHBondContact O-CG 3.42Å; K135-K139 PolarHBondContact O-N 3.32Å
136E98.3Very high98.2Very high22 Ų2252 Ų5210%0.10326%0.258CS..Hα-helixtrans-61.7-45.6177-73.1166159.300110.6L14 F18 R22 M132 S133 D138 K139 V140L14-E136 HydrophobicContact CD2-CB 4.48Å; L14-E136 HydrophobicContact CD2-CG 4.01Å; F18-E136 HydrophobicContact CD2-CG 3.99Å; F18-E136 HydrophobicContact CE2-CB 4.18Å; F18-E136 HydrophobicContact CE2-CG 3.97Å; R22-E136 IonicContact CZ-OE1 3.23Å; R22-E136 IonicContact NH1-OE1 3.44Å; R22-E136 IonicContact NH2-OE1 2.74Å; R22-E136 PolarHBondContact NH2-OE1 2.96Å; R22-E136 IonicContact NH2-OE2 2.77Å; R22-E136 PolarHBondContact NH2-OE2 3.43Å; R22-E136 VanDerWaalsContact NH2-OE2 3.1Å; M132-E136 HydrophobicContact CG-CB 3.33Å; M132-E136 HydrophobicContact CG-CG 4.49Å; M132-E136 HydrophobicContact SD-CB 4.11Å; S133-E136 PolarHBondContact N-OE2 3.31Å; S133-E136 PolarHBondContact O-N 3.13Å; S133-E136 VanDerWaalsContact O-N 3.16Å; S133-E136 WeakPolarHBondContact OG-CB 3.01Å; S133-E136 VanDerWaalsContact OG-CG 3.24Å; S133-E136 WeakPolarHBondContact OG-CG 3.32Å; S133-E136 PolarHBondContact OG-N 3.13Å; S133-E136 PolarHBondContact OG-OE2 2.86Å; E136-D138 PolarHBondContact O-N 2.97Å; E136-K139 PolarHBondContact O-N 3.02Å; E136-V140 WeakPolarHBondContact O-CB 3.37Å; E136-V140 WeakPolarHBondContact O-CG2 3.49Å; E136-V140 PolarHBondContact O-N 3.44Å
137R98.3Very high98.2Very high89 Ų8951.6 Ų51.634%0.33626%0.256SS..Hα-helixtrans-55.4-51.9177.6179.6-161.870.4-157.5-6111.6V128 M132 S133 E134 K139 V140 M141V128-R137 HydrophobicContact CG1-CG 3.78Å; M132-R137 HydrophobicContact CG-CB 4.34Å; M132-R137 WeakPolarHBondContact SD-CA 3.22Å; M132-R137 HydrophobicContact SD-CB 3.99Å; M132-R137 PolarHBondContact SD-N 3.41Å; M132-R137 VanDerWaalsContact SD-N 3.43Å; S133-R137 PolarHBondContact O-N 3.37Å; E134-R137 WeakPolarHBondContact O-CB 3.48Å; E134-R137 PolarHBondContact O-N 3.17Å; R137-K139 PolarHBondContact O-N 3.2Å; R137-V140 PolarHBondContact O-N 3.36Å; R137-M141 HydrophobicContact CG-CG 3.78Å; R137-M141 WeakPolarHBondContact O-CB 3.39Å; R137-M141 VanDerWaalsContact O-CG 3.31Å; R137-M141 WeakPolarHBondContact O-CG 3.09Å; R137-M141 PolarHBondContact O-N 3.09Å
138D98.2Very high98.2Very high92 Ų9251.7 Ų51.749%0.49226%0.256SS..Hα-helixtrans-71.4-18.1-172.8-66.3-13.9000112.9E134 K135 E136 P142E134-D138 WeakPolarHBondContact O-CB 3.21Å; E134-D138 VanDerWaalsContact O-CG 3.25Å; E134-D138 PolarHBondContact O-N 3.13Å; K135-D138 PolarHBondContact O-N 3.11Å; E136-D138 PolarHBondContact O-N 2.97Å; D138-P142 WeakPolarHBondContact O-CD 3.43Å; D138-P142 VanDerWaalsContact O-CG 3.31Å; D138-P142 WeakPolarHBondContact O-CG 3.22Å
139K98.1Very high98.3Very high70 Ų7054.6 Ų54.630%0.30427%0.267SS..Hα-helixtrans-93.9-36.4173.8-62.7-68.2-169.1170.30112.7E13 L14 K135 E136 R137 L143E13-K139 IonicContact OE1-NZ 3.56Å; E13-K139 PolarHBondContact OE1-NZ 2.98Å; E13-K139 IonicContact OE2-NZ 3.83Å; L14-K139 HydrophobicContact CD1-CB 4.49Å; L14-K139 HydrophobicContact CD2-CB 4.1Å; L14-K139 HydrophobicContact CD2-CG 4.2Å; L14-K139 HydrophobicContact CG-CB 4.5Å; K135-K139 VanDerWaalsContact O-CG 3.26Å; K135-K139 WeakPolarHBondContact O-CG 3.42Å; K135-K139 PolarHBondContact O-N 3.32Å; E136-K139 PolarHBondContact O-N 3.02Å; R137-K139 PolarHBondContact O-N 3.2Å; K139-L143 WeakPolarHBondContact O-CG 3.45Å
140V98.5Very high98.3Very high0 Ų056.3 Ų56.30%028%0.276CS..Hα-helixtrans-89.4-45.8-170.7172.70000112.2L14 F18 L20 P96 M132 E136 R137 L143 I144L14-V140 HydrophobicContact CD1-CG2 3.77Å; F18-V140 HydrophobicContact CE1-CG2 3.92Å; F18-V140 HydrophobicContact CE2-CG2 3.98Å; F18-V140 HydrophobicContact CZ-CB 4.43Å; F18-V140 HydrophobicContact CZ-CG1 4.22Å; F18-V140 HydrophobicContact CZ-CG2 3.39Å; L20-V140 HydrophobicContact CD1-CG1 3.65Å; P96-V140 HydrophobicContact CB-CG1 3.89Å; P96-V140 HydrophobicContact CG-CG1 3.92Å; M132-V140 HydrophobicContact CE-CG1 4.16Å; E136-V140 WeakPolarHBondContact O-CB 3.37Å; E136-V140 WeakPolarHBondContact O-CG2 3.49Å; E136-V140 PolarHBondContact O-N 3.44Å; R137-V140 PolarHBondContact O-N 3.36Å; V140-L143 WeakPolarHBondContact O-CB 3.2Å; V140-L143 PolarHBondContact O-N 3.19Å; V140-I144 HydrophobicContact CG1-CD1 4.01Å; V140-I144 PolarHBondContact O-N 3.32Å
141M98.5Very high98.4Very high12 Ų1251.6 Ų51.66%0.05925%0.251CS..Hα-helixtrans-62.8-40.4-175.4-60.1-54.1-5600112.8L126 V128 R137 L143 I144 I145L126-M141 HydrophobicContact CD1-CE 3.62Å; L126-M141 HydrophobicContact CD2-CE 3.51Å; L126-M141 HydrophobicContact CG-CE 3.56Å; V128-M141 HydrophobicContact CG2-CE 4.1Å; V128-M141 HydrophobicContact CG2-CG 4.38Å; V128-M141 HydrophobicContact CG2-SD 4.38Å; R137-M141 HydrophobicContact CG-CG 3.78Å; R137-M141 WeakPolarHBondContact O-CB 3.39Å; R137-M141 VanDerWaalsContact O-CG 3.31Å; R137-M141 WeakPolarHBondContact O-CG 3.09Å; R137-M141 PolarHBondContact O-N 3.09Å; M141-L143 VanDerWaalsContact C-N 3.25Å; M141-L143 PolarHBondContact O-N 2.7Å; M141-I144 HydrophobicContact CE-CD1 4.2Å; M141-I144 PolarHBondContact O-N 2.94Å; M141-I144 HydrophobicContact SD-CD1 3.98Å; M141-I145 VanDerWaalsContact O-CG1 3.25Å; M141-I145 WeakPolarHBondContact O-CG1 3.45Å; M141-I145 PolarHBondContact O-N 3.43Å
142P98.7Very high98.4Very high69 Ų6946.6 Ų46.645%0.44823%0.229SC..Hα-helixtrans-60.4-33.7175.8-26.537.4000113.6D138 I145 Q146D138-P142 WeakPolarHBondContact O-CD 3.43Å; D138-P142 VanDerWaalsContact O-CG 3.31Å; D138-P142 WeakPolarHBondContact O-CG 3.22Å; P142-I145 PolarHBondContact O-N 3.31Å; P142-Q146 VanDerWaalsContact O-CB 3.28Å; P142-Q146 WeakPolarHBondContact O-CB 3.14Å; P142-Q146 PolarHBondContact O-N 3.38Å
143L98.6Very high98.5Very high30 Ų3050.9 Ų50.916%0.15725%0.249CC..Hα-helixtrans-67.8-43.8176.4-63.9175.2000111.3F7 Y12 P96 Y97 K139 V140 M141 I145 Q146 G147F7-L143 HydrophobicContact CE2-CD1 4.08Å; Y12-L143 HydrophobicContact CD1-CD1 4.03Å; Y12-L143 HydrophobicContact CE1-CD1 3.68Å; Y12-L143 HydrophobicContact CE1-CD2 3.93Å; Y12-L143 HydrophobicContact CE1-CG 4.33Å; Y12-L143 HydrophobicContact CE2-CD1 4.4Å; P96-L143 HydrophobicContact CB-CB 3.9Å; P96-L143 HydrophobicContact CB-CD1 4.34Å; P96-L143 HydrophobicContact CG-CD1 4.26Å; Y97-L143 VanDerWaalsContact CA-O 3.32Å; Y97-L143 WeakPolarHBondContact CA-O 3.49Å; K139-L143 WeakPolarHBondContact O-CG 3.45Å; V140-L143 WeakPolarHBondContact O-CB 3.2Å; V140-L143 PolarHBondContact O-N 3.19Å; M141-L143 VanDerWaalsContact C-N 3.25Å; M141-L143 PolarHBondContact O-N 2.7Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 2.89Å; L143-Q146 PolarHBondContact O-N 3.5Å; L143-G147 PolarHBondContact O-N 3.2Å
144I98.8Very high98.5Very high1 Ų152 Ų521%0.00525%0.248CC..Hα-helixtrans-58.3-48.3174.1-65168000110.1L20 P96 G100 L126 V140 M141 Q146 G147 F148 V170 M172L20-I144 HydrophobicContact CD1-CD1 4.34Å; L20-I144 HydrophobicContact CD2-CD1 4.24Å; P96-I144 HydrophobicContact CB-CD1 4.44Å; P96-I144 HydrophobicContact CB-CG1 3.77Å; P96-I144 VanDerWaalsContact O-CA 3.32Å; P96-I144 WeakPolarHBondContact O-CA 3.43Å; P96-I144 VanDerWaalsContact O-CG1 3.26Å; P96-I144 WeakPolarHBondContact O-CG1 3.37Å; G100-I144 VanDerWaalsContact CA-O 3.32Å; G100-I144 WeakPolarHBondContact CA-O 3.38Å; L126-I144 HydrophobicContact CD1-CG2 4.39Å; V140-I144 HydrophobicContact CG1-CD1 4.01Å; V140-I144 PolarHBondContact O-N 3.32Å; M141-I144 HydrophobicContact CE-CD1 4.2Å; M141-I144 PolarHBondContact O-N 2.94Å; M141-I144 HydrophobicContact SD-CD1 3.98Å; I144-Q146 VanDerWaalsContact C-N 3.35Å; I144-Q146 PolarHBondContact O-N 3.3Å; I144-G147 PolarHBondContact O-N 3.49Å; I144-F148 PolarHBondContact O-N 2.93Å; I144-V170 HydrophobicContact CD1-CG1 4.45Å; I144-M172 HydrophobicContact CD1-SD 3.92Å; I144-M172 HydrophobicContact CG1-SD 4.3Å; I144-M172 HydrophobicContact CG2-CG 3.88Å; I144-M172 HydrophobicContact CG2-SD 3.72Å
145I98.8Very high98.5Very high68 Ų6845.1 Ų45.135%0.34922%0.216SC..Hα-helixtrans-63.1-42.8-179.7-63.9167.8000110.7M124 L126 M141 P142 L143 F148 K149M124-I145 HydrophobicContact CE-CD1 4.48Å; M124-I145 HydrophobicContact CE-CG1 3.96Å; M124-I145 HydrophobicContact CE-CG2 4.3Å; M124-I145 HydrophobicContact SD-CG1 4.36Å; L126-I145 HydrophobicContact CD2-CD1 4.15Å; L126-I145 HydrophobicContact CD2-CG1 4.16Å; M141-I145 VanDerWaalsContact O-CG1 3.25Å; M141-I145 WeakPolarHBondContact O-CG1 3.45Å; M141-I145 PolarHBondContact O-N 3.43Å; P142-I145 PolarHBondContact O-N 3.31Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 2.89Å; I145-F148 PolarHBondContact O-N 3.22Å; I145-K149 WeakPolarHBondContact O-CB 3.43Å; I145-K149 PolarHBondContact O-N 3.49Å
146Q98.8Very high98.5Very high81 Ų8142.8 Ų42.838%0.37922%0.221SC..Hα-helixtrans-63-43.4176.6-173.569.851.900111.6Y97 P142 L143 I144 F148 K149 D150Y97-Q146 HydrophobicContact CD2-CB 4.28Å; Y97-Q146 HydrophobicContact CD2-CG 4.19Å; Y97-Q146 HydrophobicContact CE2-CB 4.49Å; Y97-Q146 HydrophobicContact CE2-CG 3.99Å; P142-Q146 VanDerWaalsContact O-CB 3.28Å; P142-Q146 WeakPolarHBondContact O-CB 3.14Å; P142-Q146 PolarHBondContact O-N 3.38Å; L143-Q146 PolarHBondContact O-N 3.5Å; I144-Q146 VanDerWaalsContact C-N 3.35Å; I144-Q146 PolarHBondContact O-N 3.3Å; Q146-F148 PolarHBondContact O-N 3.16Å; Q146-K149 PolarHBondContact O-N 3.36Å; Q146-D150 PolarHBondContact NE2-OD1 3.09Å; Q146-D150 WeakPolarHBondContact O-CB 3.46Å; Q146-D150 VanDerWaalsContact O-CG 3.25Å; Q146-D150 PolarHBondContact O-N 3.33Å
147G98.8Very high98.5Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-61.4-43.9175.400000112.3Y97 R101 L143 I144 D150 A151Y97-G147 WeakPolarHBondContact O-CA 3.49Å; R101-G147 WeakPolarHBondContact CG-O 3.39Å; L143-G147 PolarHBondContact O-N 3.2Å; I144-G147 PolarHBondContact O-N 3.49Å; G147-D150 PolarHBondContact O-N 3.19Å; G147-A151 PolarHBondContact O-N 3.5Å; G147-A151 VanDerWaalsContact O-N 3.1Å
148F98.8Very high98.5Very high2 Ų241.1 Ų41.11%0.00923%0.225CC..Hα-helixtrans-61.8-45.7175.7-159.9-68.7000111.2G100 A103 C104 M122 M124 I144 I145 Q146 A151 S152 V159 G173G100-F148 WeakPolarHBondContact O-CA 3.08Å; A103-F148 HydrophobicContact CB-CD2 4.19Å; A103-F148 HydrophobicContact CB-CE2 4.28Å; C104-F148 HydrophobicContact CB-CB 4.36Å; C104-F148 HydrophobicContact CB-CD1 3.76Å; C104-F148 HydrophobicContact CB-CD2 3.7Å; C104-F148 HydrophobicContact CB-CE1 3.87Å; C104-F148 HydrophobicContact CB-CE2 3.83Å; C104-F148 HydrophobicContact CB-CG 3.68Å; C104-F148 HydrophobicContact CB-CZ 3.91Å; C104-F148 PolarHBondContact SG-O 3.23Å; M122-F148 HydrophobicContact CE-CE1 3.78Å; M122-F148 HydrophobicContact CE-CZ 3.82Å; M122-F148 HydrophobicContact SD-CE1 4.2Å; M124-F148 HydrophobicContact CG-CD2 4.38Å; M124-F148 HydrophobicContact CG-CE2 4.36Å; M124-F148 HydrophobicContact CG-CZ 4.49Å; M124-F148 HydrophobicContact SD-CB 4.3Å; M124-F148 HydrophobicContact SD-CD1 4.44Å; M124-F148 HydrophobicContact SD-CD2 4.36Å; M124-F148 HydrophobicContact SD-CG 4.11Å; I144-F148 PolarHBondContact O-N 2.93Å; I145-F148 PolarHBondContact O-N 3.22Å; Q146-F148 PolarHBondContact O-N 3.16Å; F148-A151 PolarHBondContact O-N 3.17Å; F148-S152 PolarHBondContact O-N 3.25Å; F148-V159 HydrophobicContact CD1-CG2 3.68Å; F148-V159 HydrophobicContact CE1-CG2 3.7Å; F148-G173 WeakPolarHBondContact CE2-O 3.34Å
149K98.8Very high98.6Very high83 Ų8339.2 Ų39.236%0.36122%0.216SC..Hα-helixtrans-58.6-50.4176.8174.6-179.3168-64.10111.6I145 Q146 A151 S152 E153I145-K149 WeakPolarHBondContact O-CB 3.43Å; I145-K149 PolarHBondContact O-N 3.49Å; Q146-K149 PolarHBondContact O-N 3.36Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-A151 PolarHBondContact O-N 3.04Å; K149-S152 WeakPolarHBondContact CA-OG 3.28Å; K149-S152 PolarHBondContact O-N 2.86Å; K149-S152 VanDerWaalsContact O-N 3.09Å; K149-S152 PolarHBondContact O-OG 3.3Å; K149-E153 WeakPolarHBondContact CE-OE1 3.38Å; K149-E153 VanDerWaalsContact NZ-CD 3.31Å; K149-E153 IonicContact NZ-OE1 2.95Å; K149-E153 PolarHBondContact NZ-OE1 3.15Å; K149-E153 IonicContact NZ-OE2 2.86Å; K149-E153 PolarHBondContact NZ-OE2 3.29Å; K149-E153 WeakPolarHBondContact O-CG 3.31Å; K149-E153 PolarHBondContact O-N 3.44Å
150D98.8Very high98.6Very high39 Ų3940.2 Ų40.221%0.20923%0.228CC..Hα-helixtrans-64.5-38.1-177.2-69.61.1000111.8Y97 Q146 G147 E153 E154Y97-D150 HydrophobicContact CE2-CB 4.5Å; Y97-D150 WeakPolarHBondContact CE2-OD2 3.26Å; Y97-D150 WeakPolarHBondContact OH-CB 3.24Å; Y97-D150 PolarHBondContact OH-OD2 3.28Å; Q146-D150 PolarHBondContact NE2-OD1 3.09Å; Q146-D150 WeakPolarHBondContact O-CB 3.46Å; Q146-D150 VanDerWaalsContact O-CG 3.25Å; Q146-D150 PolarHBondContact O-N 3.33Å; G147-D150 PolarHBondContact O-N 3.19Å; D150-E153 PolarHBondContact O-N 3.32Å; D150-E154 PolarHBondContact O-N 3.24Å
151A98.8Very high98.5Very high0 Ų041.7 Ų41.70%024%0.244CC..Hα-helixtrans-66-37.6172.700000112.2R101 C104 G147 F148 K149 E154 A155R101-A151 HydrophobicContact CB-CB 4.32Å; R101-A151 HydrophobicContact CG-CB 4.11Å; C104-A151 HydrophobicContact CB-CB 3.72Å; G147-A151 PolarHBondContact O-N 3.5Å; G147-A151 VanDerWaalsContact O-N 3.1Å; F148-A151 PolarHBondContact O-N 3.17Å; K149-A151 VanDerWaalsContact C-N 3.33Å; K149-A151 PolarHBondContact O-N 3.04Å; A151-E154 PolarHBondContact O-N 3.15Å; A151-A155 WeakPolarHBondContact O-CB 3.13Å; A151-A155 PolarHBondContact O-N 3.04Å
152S98.6Very high98.5Very high1 Ų143.5 Ų43.51%0.00727%0.265CS..Hα-helixtrans-66.1-38.3174.472.80000112.2F148 K149 A155 G156 T157F148-S152 PolarHBondContact O-N 3.25Å; K149-S152 WeakPolarHBondContact CA-OG 3.28Å; K149-S152 PolarHBondContact O-N 2.86Å; K149-S152 VanDerWaalsContact O-N 3.09Å; K149-S152 PolarHBondContact O-OG 3.3Å; S152-A155 CarbonylContact O-C 3.35Å; S152-A155 WeakPolarHBondContact O-CA 3.34Å; S152-A155 WeakPolarHBondContact O-CB 3.49Å; S152-A155 PolarHBondContact O-N 3.3Å; S152-A155 VanDerWaalsContact O-N 3.17Å; S152-G156 PolarHBondContact O-N 3.34Å; S152-T157 CarbonylContact C-O 3.57Å; S152-T157 CarbonylContact O-C 3.59Å; S152-T157 WeakPolarHBondContact O-CG2 3.47Å; S152-T157 PolarHBondContact O-N 2.93Å
153E98.6Very high98.5Very high106 Ų10645.9 Ų45.950%0.49527%0.271SS..Hα-helixtrans-66.1-41.2175.3-73.7176.7176.900111.5K149 D150 A155 G156K149-E153 WeakPolarHBondContact CE-OE1 3.38Å; K149-E153 VanDerWaalsContact NZ-CD 3.31Å; K149-E153 IonicContact NZ-OE1 2.95Å; K149-E153 PolarHBondContact NZ-OE1 3.15Å; K149-E153 IonicContact NZ-OE2 2.86Å; K149-E153 PolarHBondContact NZ-OE2 3.29Å; K149-E153 WeakPolarHBondContact O-CG 3.31Å; K149-E153 PolarHBondContact O-N 3.44Å; D150-E153 PolarHBondContact O-N 3.32Å; E153-A155 VanDerWaalsContact C-N 3.25Å; E153-A155 PolarHBondContact O-N 2.78Å; E153-G156 PolarHBondContact O-N 3.49Å
154E98Very high98.5Very high79 Ų7948.3 Ų48.337%0.36929%0.287SS..Hα-helixtrans-61-35.7171.8-175-178.5132.100112R101 D150 A151 G156 L247 R249R101-E154 IonicContact CZ-OE2 2.64Å; R101-E154 IonicContact NH1-OE2 3.87Å; R101-E154 PolarHBondContact NH1-OE2 3.48Å; R101-E154 IonicContact NH2-OE1 3.81Å; R101-E154 IonicContact NH2-OE2 2.81Å; R101-E154 PolarHBondContact NH2-OE2 2.98Å; D150-E154 PolarHBondContact O-N 3.24Å; A151-E154 PolarHBondContact O-N 3.15Å; E154-G156 PolarHBondContact O-N 3.29Å; E154-L247 HydrophobicContact CB-CD1 4.16Å; E154-L247 HydrophobicContact CG-CD1 3.94Å; E154-R249 PolarHBondContact O-NH1 2.74Å
155A98.1Very high98.5Very high0 Ų051.6 Ų51.60%031%0.307CS..THydrogen-bonded Turntrans-72.9-5.317400000113.6L108 Y112 A151 S152 E153 T157 L247 R249L108-A155 HydrophobicContact CD1-CB 3.5Å; Y112-A155 WeakPolarHBondContact OH-CB 3.38Å; A151-A155 WeakPolarHBondContact O-CB 3.13Å; A151-A155 PolarHBondContact O-N 3.04Å; S152-A155 CarbonylContact O-C 3.35Å; S152-A155 WeakPolarHBondContact O-CA 3.34Å; S152-A155 WeakPolarHBondContact O-CB 3.49Å; S152-A155 PolarHBondContact O-N 3.3Å; S152-A155 VanDerWaalsContact O-N 3.17Å; E153-A155 VanDerWaalsContact C-N 3.25Å; E153-A155 PolarHBondContact O-N 2.78Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 HydrophobicContact CB-CG2 4.15Å; A155-L247 HydrophobicContact CB-CD1 3.75Å; A155-R249 VanDerWaalsContact O-CZ 3.25Å; A155-R249 PolarHBondContact O-NH1 3.35Å
156G98.3Very high98.4Very high54 Ų5453.7 Ų53.756%0.55732%0.323SS*.THydrogen-bonded Turntrans74.820.3-177.500000113.8S152 E153 E154S152-G156 PolarHBondContact O-N 3.34Å; E153-G156 PolarHBondContact O-N 3.49Å; E154-G156 PolarHBondContact O-N 3.29Å
157T98.7Very high98.3Very high15 Ų1552.1 Ų52.19%0.09232%0.317CS..  trans-125.8-178.1-178.5-162.90000111.4C119 M122 S152 A155C119-T157 HydrophobicContact CB-CG2 4.09Å; C119-T157 WeakPolarHBondContact O-CB 3.34Å; C119-T157 PolarHBondContact O-OG1 3.19Å; M122-T157 HydrophobicContact CG-CG2 3.63Å; M122-T157 HydrophobicContact SD-CG2 3.63Å; S152-T157 CarbonylContact C-O 3.57Å; S152-T157 CarbonylContact O-C 3.59Å; S152-T157 WeakPolarHBondContact O-CG2 3.47Å; S152-T157 PolarHBondContact O-N 2.93Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 HydrophobicContact CB-CG2 4.15Å
158S98.1Very high98.2Very high62 Ų6255.3 Ų55.343%0.43434%0.337SS..  trans-143.5155.2175.866.60000112M122M122-S158 PolarHBondContact N-O 3.17Å; M122-S158 VanDerWaalsContact N-O 3.08Å
159V98.6Very high98.1Very high51 Ų5157.4 Ų57.431%0.30935%0.345SS..EExtended strand (participates in β ladder)trans-86.8113.8170.9-1780000108.6M122 M124 F148 G161M122-V159 HydrophobicContact CB-CG2 4.21Å; M122-V159 WeakPolarHBondContact O-CA 3.4Å; M124-V159 HydrophobicContact CB-CG1 3.75Å; F148-V159 HydrophobicContact CD1-CG2 3.68Å; F148-V159 HydrophobicContact CE1-CG2 3.7Å; V159-G161 WeakPolarHBondContact CG1-O 3.19Å
160T98.4Very high98.1Very high91 Ų9153.4 Ų53.456%0.55833%0.328SS*.EExtended strand (participates in β ladder)trans-106.5-6.4-176.163.70000113.7N121 M122N121-T160 PolarHBondContact ND2-OG1 2.89Å; N121-T160 WeakPolarHBondContact OD1-CB 3.4Å; N121-T160 WeakPolarHBondContact OD1-CG2 3.42Å; N121-T160 PolarHBondContact OD1-OG1 3.17Å; M122-T160 PolarHBondContact O-N 2.85Å; M122-T160 VanDerWaalsContact O-N 3.14Å
161G97.9Very high98.1Very high31 Ų3152.3 Ų52.332%0.3232%0.323SS..EExtended strand (participates in β ladder)trans-173.2-174.8-179.600000111.5L123 M124 V159L123-G161 VanDerWaalsContact CA-O 3.31Å; L123-G161 WeakPolarHBondContact CA-O 3.06Å; M124-G161 PolarHBondContact N-O 2.6Å; V159-G161 WeakPolarHBondContact CG1-O 3.19Å
162G97.9Very high98.1Very high50 Ų5052.4 Ų52.452%0.51532%0.323SS..EExtended strand (participates in β ladder)trans160.7-171.5-177.300000112.7M124M124-G162 CarbonylContact O-C 3.5Å; M124-G162 WeakPolarHBondContact O-CA 3.43Å
163Q98.4Very high98Very high120 Ų12052.4 Ų52.456%0.56132%0.323SS*.EExtended strand (participates in β ladder)trans-139.2131.1176-178.863.17.200110.2M124 L126 V165M124-Q163 PolarHBondContact O-N 2.89Å; L126-Q163 PolarHBondContact N-O 2.84Å; Q163-V165 HydrophobicContact CG-CG1 3.98Å
164T98.4Very high98.1Very high80 Ų8047.3 Ų47.349%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-117.7124175.4-56.10000110L126 V128L126-T164 HydrophobicContact CB-CG2 4.18Å; L126-T164 HydrophobicContact CD2-CG2 4.18Å; L126-T164 HydrophobicContact CG-CG2 4.41Å; L126-T164 CarbonylContact O-C 3.07Å; L126-T164 VanDerWaalsContact O-CA 3.24Å; L126-T164 WeakPolarHBondContact O-CA 3.41Å; V128-T164 HydrophobicContact CG2-CG2 3.88Å
165V98.1Very high98.1Very high70 Ų7044.9 Ų44.942%0.42429%0.29SS..EExtended strand (participates in β ladder)trans-131.8161.6-179.6-62.30000112.1L126 G127 V128 Q163L126-V165 PolarHBondContact O-N 2.89Å; G127-V165 CarbonylContact C-O 3.58Å; G127-V165 WeakPolarHBondContact CA-O 3.31Å; V128-V165 PolarHBondContact N-O 3.3Å; Q163-V165 HydrophobicContact CG-CG1 3.98Å
166V97.8Very high98.1Very high113 Ų11344.9 Ų44.969%0.68529%0.29SS*.EExtended strand (participates in β ladder)trans-79.2134.3168.6179.10000109.3V128 N130V128-V166 WeakPolarHBondContact O-CA 3.19Å; N130-V166 HydrophobicContact CB-CG1 3.64Å
167N97.4Very high98.2Very high48 Ų4843.6 Ų43.626%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-145.2150-179.2-174.7-37000109.3V128 S129 N130 W169 V171V128-N167 PolarHBondContact O-N 3.42Å; V128-N167 VanDerWaalsContact O-O 3.11Å; S129-N167 CarbonylContact C-O 2.98Å; S129-N167 WeakPolarHBondContact CA-O 3.24Å; N130-N167 PolarHBondContact N-O 2.78Å; N167-W169 WeakPolarHBondContact CB-O 3.04Å; N167-W169 PolarHBondContact O-N 2.93Å; N167-W169 PolarHBondContact OD1-N 3.49Å; N167-V171 VanDerWaalsContact ND2-CG2 3.34Å; N167-V171 WeakPolarHBondContact ND2-CG2 3.36Å
168P96.1Very high98.2Very high66 Ų6643.1 Ų43.143%0.42927%0.268SS..SBendtrans-52.1-34.6169.9-31.736.6000115S129 N130S129-P168 PolarHBondContact OG-O 3.24Å; N130-P168 WeakPolarHBondContact OD1-CA 3.29Å
169W97.2Very high98.2Very high46 Ų4642.9 Ų42.917%0.17426%0.264CS..SBendtrans-112.6155.7179.2-59.8-19.4000111.2F23 E25 L26 Y90 N167 V171F23-W169 CarbonylContact O-C 3.43Å; F23-W169 WeakPolarHBondContact O-CA 3.49Å; F23-W169 WeakPolarHBondContact O-CB 3.47Å; E25-W169 HydrophobicContact CB-CZ2 3.67Å; E25-W169 HydrophobicContact CG-CZ2 4.25Å; L26-W169 HydrophobicContact CD1-CH2 3.67Å; L26-W169 HydrophobicContact CD1-CZ3 3.66Å; L26-W169 HydrophobicContact CG-CH2 3.61Å; L26-W169 HydrophobicContact CG-CZ3 3.98Å; Y90-W169 HydrophobicContact CD1-CB 4Å; Y90-W169 AromaticContact CD1-CE3 3.88Å; Y90-W169 HydrophobicContact CD1-CE3 3.88Å; Y90-W169 HydrophobicContact CE1-CB 4.21Å; Y90-W169 HydrophobicContact CE1-CD2 4.49Å; Y90-W169 AromaticContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CE3 3.55Å; Y90-W169 HydrophobicContact CE1-CZ3 4.33Å; Y90-W169 HydrophobicContact CE2-CE3 4.31Å; Y90-W169 HydrophobicContact CE2-CZ3 4.41Å; Y90-W169 HydrophobicContact CG-CE3 4.39Å; Y90-W169 AromaticContact CZ-CE3 3.79Å; N167-W169 WeakPolarHBondContact CB-O 3.04Å; N167-W169 PolarHBondContact O-N 2.93Å; N167-W169 PolarHBondContact OD1-N 3.49Å; W169-V171 PolarHBondContact O-N 2.94Å
170V98Very high98.2Very high0 Ų040.5 Ų40.50%025%0.25CC..  trans-70.6128168173.20000108L20 F23 Y90 P91 G127 M132 I144 M172L20-V170 HydrophobicContact CD1-CG2 4.47Å; F23-V170 HydrophobicContact CB-CB 4.36Å; F23-V170 HydrophobicContact CB-CG2 3.74Å; F23-V170 HydrophobicContact CD2-CG2 4.47Å; F23-V170 HydrophobicContact CG-CG2 4.25Å; F23-V170 PolarHBondContact O-N 3.49Å; Y90-V170 WeakPolarHBondContact CD1-O 3.39Å; P91-V170 WeakPolarHBondContact CD-O 3.39Å; P91-V170 HydrophobicContact CG-CB 3.66Å; P91-V170 HydrophobicContact CG-CG1 3.93Å; P91-V170 HydrophobicContact CG-CG2 4.47Å; G127-V170 VanDerWaalsContact O-CA 3.28Å; G127-V170 WeakPolarHBondContact O-CA 3.44Å; M132-V170 HydrophobicContact CE-CG2 4Å; I144-V170 HydrophobicContact CD1-CG1 4.45Å; V170-M172 HydrophobicContact CG1-CE 3.93Å; V170-M172 HydrophobicContact CG1-CG 4.03Å; V170-M172 HydrophobicContact CG1-SD 3.98Å
171V98.4Very high98.1Very high16 Ų1640.1 Ų40.110%0.09724%0.242CC..EExtended strand (participates in β ladder)trans-116.2133.1175.8-177.50000108.5Y88 Y90 L126 G127 N167 W169Y88-V171 HydrophobicContact CD2-CG1 3.66Å; Y88-V171 HydrophobicContact CE2-CG1 4.5Å; Y88-V171 HydrophobicContact CG-CG1 4.06Å; Y90-V171 HydrophobicContact CD1-CG2 4.13Å; Y90-V171 HydrophobicContact CE1-CG2 3.72Å; L126-V171 CarbonylContact C-O 3.6Å; L126-V171 WeakPolarHBondContact CA-O 3.48Å; G127-V171 PolarHBondContact N-O 3.26Å; G127-V171 PolarHBondContact O-N 3.45Å; N167-V171 VanDerWaalsContact ND2-CG2 3.34Å; N167-V171 WeakPolarHBondContact ND2-CG2 3.36Å; W169-V171 PolarHBondContact O-N 2.94Å
172M98.1Very high97.9Very high1 Ų142 Ų421%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-136.6123.8177.4-61.4155.1-67.200109Y88 I89 P91 M99 A103 L126 I144 V170Y88-M172 WeakPolarHBondContact CA-O 3.4Å; I89-M172 PolarHBondContact N-O 2.89Å; I89-M172 PolarHBondContact O-N 3.02Å; P91-M172 HydrophobicContact CB-CE 4.31Å; P91-M172 HydrophobicContact CG-CE 3.67Å; M99-M172 HydrophobicContact CB-SD 4.42Å; M99-M172 HydrophobicContact CE-CE 3.77Å; M99-M172 HydrophobicContact CG-CE 3.46Å; M99-M172 VanDerWaalsContact CG-CE 3.46Å; M99-M172 HydrophobicContact CG-SD 3.48Å; M99-M172 WeakPolarHBondContact CG-SD 3.4Å; M99-M172 HydrophobicContact SD-CE 4.05Å; A103-M172 HydrophobicContact CB-CB 3.68Å; L126-M172 HydrophobicContact CD1-CG 4.04Å; I144-M172 HydrophobicContact CD1-SD 3.92Å; I144-M172 HydrophobicContact CG1-SD 4.3Å; I144-M172 HydrophobicContact CG2-CG 3.88Å; I144-M172 HydrophobicContact CG2-SD 3.72Å; V170-M172 HydrophobicContact CG1-CE 3.93Å; V170-M172 HydrophobicContact CG1-CG 4.03Å; V170-M172 HydrophobicContact CG1-SD 3.98Å
173G98.4Very high97.8Very high1 Ų145.4 Ų45.41%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-169-162-179.400000110.9D87 L125 F148D87-G173 CarbonylContact O-C 3.49Å; D87-G173 WeakPolarHBondContact O-CA 3.5Å; L125-G173 PolarHBondContact N-O 3.37Å; L125-G173 PolarHBondContact O-N 3.32Å; F148-G173 WeakPolarHBondContact CE2-O 3.34Å
174G98.7Very high97.8Very high0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans176.7-178-176.700000113.4T86 D87 V107 L123T86-G174 WeakPolarHBondContact CA-O 3.3Å; T86-G174 PolarHBondContact OG1-O 2.83Å; D87-G174 PolarHBondContact N-O 3.46Å; D87-G174 PolarHBondContact O-N 3.38Å; V107-G174 VanDerWaalsContact CG2-N 3.34Å; L123-G174 CarbonylContact O-C 3.52Å; L123-G174 WeakPolarHBondContact O-CA 3.4Å
175V98.9Very high97.8Very high27 Ų2740.8 Ų40.816%0.16423%0.227CC..EExtended strand (participates in β ladder)trans-119.2136.5171.7-177.10000106.9T85 M122 L123T85-V175 WeakPolarHBondContact O-CA 3.05Å; T85-V175 WeakPolarHBondContact O-CG1 3.45Å; M122-V175 CarbonylContact C-O 3.45Å; M122-V175 WeakPolarHBondContact CA-O 3.45Å; L123-V175 HydrophobicContact CB-CB 4.12Å; L123-V175 HydrophobicContact CB-CG2 4.37Å; L123-V175 HydrophobicContact CD1-CB 4.42Å; L123-V175 HydrophobicContact CD1-CG2 4.44Å; L123-V175 HydrophobicContact CG-CB 4.48Å; L123-V175 PolarHBondContact N-O 3.18Å; L123-V175 PolarHBondContact O-N 3.05Å
176A98.9Very high97.8Very high0 Ų038.9 Ų38.90%021%0.214CC..EExtended strand (participates in β ladder)trans-118.1131167.600000108.8Q84 T85 V107 L108 L111 M122Q84-A176 VanDerWaalsContact CA-O 3.25Å; Q84-A176 WeakPolarHBondContact CA-O 3.49Å; T85-A176 HydrophobicContact CG2-CB 4.24Å; T85-A176 PolarHBondContact N-O 3.44Å; T85-A176 PolarHBondContact O-N 3.19Å; T85-A176 VanDerWaalsContact O-N 3.09Å; V107-A176 HydrophobicContact CG1-CB 3.94Å; L108-A176 HydrophobicContact CD2-CB 3.93Å; L111-A176 HydrophobicContact CD1-CB 3.54Å; L111-A176 HydrophobicContact CG-CB 4.01Å; M122-A176 HydrophobicContact CE-CB 4.34Å; M122-A176 HydrophobicContact CG-CB 4.5Å
177T98.9Very high97.8Very high27 Ų2735 Ų3517%0.16619%0.189CC..EExtended strand (participates in β ladder)trans-137.2137.1-173.7-57.90000110L82 V83 Q84 D120 N121L82-T177 HydrophobicContact CD1-CG2 3.4Å; V83-T177 WeakPolarHBondContact O-CA 3.42Å; Q84-T177 HydrophobicContact CB-CG2 4.09Å; D120-T177 PolarHBondContact N-O 2.92Å; D120-T177 VanDerWaalsContact N-O 3.08Å; N121-T177 PolarHBondContact N-O 3.46Å; N121-T177 VanDerWaalsContact N-O 3.09Å; N121-T177 PolarHBondContact O-N 2.83Å
178T98.7Very high97.9Very high5 Ų532.7 Ų32.73%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-140.7156.5168.8-128.20000111.3V83 V116 E118 D120 C180V83-T178 HydrophobicContact CB-CG2 4.49Å; V83-T178 PolarHBondContact N-O 3.35Å; V83-T178 PolarHBondContact O-N 2.98Å; V83-T178 VanDerWaalsContact O-O 3.12Å; V116-T178 HydrophobicContact CG1-CG2 3.57Å; E118-T178 PolarHBondContact O-OG1 3.05Å; D120-T178 PolarHBondContact N-OG1 2.75Å; D120-T178 WeakPolarHBondContact OD2-CA 3.37Å; D120-T178 PolarHBondContact OD2-OG1 3.34Å; T178-C180 WeakPolarHBondContact CG2-SG 3.35Å
179V98.6Very high98Very high58 Ų5830.3 Ų30.335%0.35216%0.16SC..EExtended strand (participates in β ladder)trans-107.2107.2171.91800000108.6L75 L80 S81 D120L75-V179 HydrophobicContact CD1-CG1 3.69Å; L75-V179 HydrophobicContact CD1-CG2 4.31Å; L80-V179 HydrophobicContact CB-CG1 3.8Å; L80-V179 HydrophobicContact CD1-CG1 3.87Å; L80-V179 HydrophobicContact CD2-CG1 4.22Å; L80-V179 HydrophobicContact CG-CG1 4.18Å; S81-V179 CarbonylContact O-C 3.57Å; S81-V179 WeakPolarHBondContact O-CA 3.4Å; D120-V179 PolarHBondContact OD2-N 3.47Å
180C97.9Very high98Very high1 Ų131.4 Ų31.41%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-97.5147.4-174-69.70000113.5L80 S81 V83 T178 E184 F185L80-C180 WeakPolarHBondContact CA-O 3.35Å; S81-C180 PolarHBondContact N-O 3.3Å; S81-C180 PolarHBondContact O-N 3.2Å; V83-C180 HydrophobicContact CG2-CB 4.07Å; T178-C180 WeakPolarHBondContact CG2-SG 3.35Å; C180-E184 VanDerWaalsContact CA-OE2 3.23Å; C180-E184 WeakPolarHBondContact CA-OE2 3.11Å; C180-E184 HydrophobicContact CB-CB 4.11Å; C180-F185 HydrophobicContact CB-CD1 3.62Å; C180-F185 HydrophobicContact CB-CE1 4.15Å
181Q96.9Very high98Very high83 Ų8331.4 Ų31.439%0.38817%0.17SC..  trans-72.8156.6151.3-64.4-69.1-13.200110.8L80 N183 E184 F185L80-Q181 HydrophobicContact CD2-CG 4.24Å; Q181-N183 WeakPolarHBondContact CB-OD1 3.23Å; Q181-N183 PolarHBondContact O-N 3.04Å; Q181-E184 HydrophobicContact CB-CG 4.18Å; Q181-E184 PolarHBondContact N-OE2 3.06Å; Q181-E184 PolarHBondContact O-N 3.46Å; Q181-F185 WeakPolarHBondContact O-CD1 3.45Å
182P94.6Very high98Very high71 Ų7133.1 Ų33.146%0.46118%0.18SC..THydrogen-bonded Turntrans-59.1-21.1-177-27.836.3000116.2
183N96.3Very high98.1Very high121 Ų12136.6 Ų36.665%0.64720%0.203SC*.THydrogen-bonded Turntrans-93.2-4179.564.1-19.6000113.7Q181 H256Q181-N183 WeakPolarHBondContact CB-OD1 3.23Å; Q181-N183 PolarHBondContact O-N 3.04Å; N183-H256 PolarHBondContact O-CE1 3.46Å
184E98.1Very high98.1Very high91 Ų9138.1 Ų38.143%0.42522%0.219SC..THydrogen-bonded Turntrans-89.8-16.4-178.4-68.7169.9163.600112.3C180 Q181 H256C180-E184 VanDerWaalsContact CA-OE2 3.23Å; C180-E184 WeakPolarHBondContact CA-OE2 3.11Å; C180-E184 HydrophobicContact CB-CB 4.11Å; Q181-E184 HydrophobicContact CB-CG 4.18Å; Q181-E184 PolarHBondContact N-OE2 3.06Å; Q181-E184 PolarHBondContact O-N 3.46Å; E184-H256 PolarHBondContact O-NE2 3.29Å
185F98.3Very high98.1Very high12 Ų1238.4 Ų38.45%0.05322%0.22CC..SBendtrans-119.1154.9173.165-91000111.9P62 V72 V83 M114 V116 C180 Q181 M187P62-F185 HydrophobicContact CG-CE2 3.78Å; P62-F185 HydrophobicContact CG-CZ 3.92Å; V72-F185 HydrophobicContact CG1-CE1 4.45Å; V72-F185 HydrophobicContact CG1-CE2 4.07Å; V72-F185 HydrophobicContact CG1-CZ 3.97Å; V83-F185 HydrophobicContact CG2-CD1 4.39Å; M114-F185 HydrophobicContact CE-CD2 4.45Å; M114-F185 CarbonylContact O-C 3.55Å; M114-F185 WeakPolarHBondContact O-CA 3.45Å; V116-F185 HydrophobicContact CG2-CB 3.59Å; C180-F185 HydrophobicContact CB-CD1 3.62Å; C180-F185 HydrophobicContact CB-CE1 4.15Å; Q181-F185 WeakPolarHBondContact O-CD1 3.45Å; F185-M187 HydrophobicContact CD2-CG 4.37Å; F185-M187 HydrophobicContact CD2-SD 4.08Å; F185-M187 HydrophobicContact CE2-CG 4.09Å; F185-M187 HydrophobicContact CE2-SD 3.78Å
186I98.4Very high98.1Very high30 Ų3037.6 Ų37.615%0.15422%0.215CC..  trans-115120177-57.8172.6000107M114 M255M114-I186 WeakPolarHBondContact CE-O 3.15Å; M114-I186 PolarHBondContact O-N 3.35Å; I186-M255 HydrophobicContact CD1-CB 3.72Å
187M97.9Very high98.1Very high31 Ų3137.6 Ų37.615%0.15322%0.215CC..  trans-66.4132.9175.3-71.3-61.4-67.100110.4P62 L64 M114 F185 D189P62-M187 HydrophobicContact CB-CE 3.95Å; P62-M187 HydrophobicContact CB-CG 4.01Å; P62-M187 HydrophobicContact CB-SD 3.85Å; P62-M187 HydrophobicContact CG-CG 4.08Å; P62-M187 HydrophobicContact CG-SD 4.09Å; L64-M187 HydrophobicContact CB-CE 4.32Å; L64-M187 HydrophobicContact CD1-CE 4.42Å; M114-M187 HydrophobicContact CE-SD 4.28Å; F185-M187 HydrophobicContact CD2-CG 4.37Å; F185-M187 HydrophobicContact CD2-SD 4.08Å; F185-M187 HydrophobicContact CE2-CG 4.09Å; F185-M187 HydrophobicContact CE2-SD 3.78Å; M187-D189 PolarHBondContact O-N 3.29Å
188P97.8Very high98.1Very high0 Ų036.3 Ų36.30%021%0.207CC..THydrogen-bonded Turntrans-84.941.2-170.335.5-38000112.8L64 M68 M114 A263 L278 Q281 Q282L64-P188 HydrophobicContact CD2-CG 4.08Å; M68-P188 HydrophobicContact CE-CB 3.96Å; M68-P188 HydrophobicContact CE-CG 3.92Å; M68-P188 HydrophobicContact CG-CG 4.27Å; M114-P188 HydrophobicContact SD-CG 3.97Å; P188-A263 WeakPolarHBondContact CB-O 3.11Å; P188-L278 HydrophobicContact CB-CD1 3.98Å; P188-L278 WeakPolarHBondContact O-CD1 3.46Å; P188-Q281 HydrophobicContact CG-CG 4.44Å; P188-Q282 PolarHBondContact O-NE2 3.32Å
189D98.1Very high98.1Very high15 Ų1536 Ų368%0.0821%0.206CC..THydrogen-bonded Turntrans-136.78.8-165.473.3-11.2000115.3M187 Q281 Q282 R283M187-D189 PolarHBondContact O-N 3.29Å; D189-Q281 HydrophobicContact CB-CG 4.34Å; D189-Q281 WeakPolarHBondContact CB-O 3.47Å; D189-Q282 PolarHBondContact O-OE1 2.97Å; D189-R283 HydrophobicContact CB-CG 4.13Å; D189-R283 PolarHBondContact O-N 3.35Å; D189-R283 IonicContact OD1-CZ 3.83Å; D189-R283 VanDerWaalsContact OD1-CZ 3.26Å; D189-R283 IonicContact OD1-NE 2.75Å; D189-R283 IonicContact OD1-NH1 3.78Å; D189-R283 PolarHBondContact OD1-NH1 3.26Å; D189-R283 IonicContact OD1-NH2 3.01Å; D189-R283 WeakPolarHBondContact OD2-CD 3.36Å; D189-R283 IonicContact OD2-CZ 3.86Å; D189-R283 IonicContact OD2-NE 3.34Å; D189-R283 IonicContact OD2-NH1 3.35Å; D189-R283 PolarHBondContact OD2-NH1 2.97Å
190N98.3Very high98.1Very high69 Ų6933.4 Ų33.437%0.36919%0.19SC..  trans-108.515-168.9-15349.6000115.3H261 R283N190-H261 WeakPolarHBondContact CA-O 3.14Å; N190-H261 HydrophobicContact CB-CB 4.42Å; N190-H261 WeakPolarHBondContact CB-O 3.2Å; N190-H261 PolarHBondContact N-O 2.85Å; N190-H261 WeakPolarHBondContact O-CB 3.33Å; N190-R283 PolarHBondContact OD1-NH2 3.5Å
191A98.6Very high98.1Very high0 Ų033.5 Ų33.50%019%0.19CC..  trans-62.7144.8179.200000112.1A262 Q282 S284 V286 F288 C327 V357A191-A262 HydrophobicContact CB-CB 4.42Å; A191-Q282 HydrophobicContact CB-CG 4.18Å; A191-S284 WeakPolarHBondContact O-CB 3.24Å; A191-S284 PolarHBondContact O-OG 3.47Å; A191-V286 HydrophobicContact CB-CG2 4.45Å; A191-F288 HydrophobicContact CB-CE1 4.17Å; A191-F288 HydrophobicContact CB-CZ 4.34Å; A191-C327 HydrophobicContact CB-CB 3.91Å; A191-V357 HydrophobicContact CB-CG1 4.38Å
192V98.6Very high98.2Very high53 Ų5329.9 Ų29.932%0.32117%0.173SC..  trans-127.8153.6-178.8-62.20000111.9G194 D195 V357V192-G194 PolarHBondContact O-N 2.9Å; V192-D195 WeakPolarHBondContact CG2-OD1 3.48Å; V192-D195 PolarHBondContact N-OD2 3.27Å; V192-D195 WeakPolarHBondContact O-CB 3.49Å; V192-D195 PolarHBondContact O-N 2.94Å; V192-V357 WeakPolarHBondContact O-CG1 3.15Å
193P98.6Very high98.4Very high73 Ų7326.6 Ų26.647%0.47415%0.152SC..THydrogen-bonded Turntrans-55.3131173.1-22.131.8000111.4V286 K359P193-V286 HydrophobicContact CG-CG1 3.85Å; P193-K359 HydrophobicContact CG-CB 4.33Å
194G98.3Very high98.5Very high34 Ų3420.9 Ų20.935%0.35112%0.121SC..THydrogen-bonded Turntrans103.7-20.5-178.700000114.2V192 R330 V357V192-G194 PolarHBondContact O-N 2.9Å; G194-R330 PolarHBondContact O-NE 3.17Å; G194-R330 PolarHBondContact O-NH2 3.12Å; G194-V357 PolarHBondContact N-O 2.91Å
195D98.9Very high98.5Very high6 Ų616.8 Ų16.83%0.03210%0.103CC..  trans-54.7157.1167.8-73.4-16.5000110.8V192 H261 L328 I356 V357V192-D195 WeakPolarHBondContact CG2-OD1 3.48Å; V192-D195 PolarHBondContact N-OD2 3.27Å; V192-D195 WeakPolarHBondContact O-CB 3.49Å; V192-D195 PolarHBondContact O-N 2.94Å; D195-H261 VanDerWaalsContact CG-ND1 3.29Å; D195-H261 IonicContact OD1-CE1 3.54Å; D195-H261 PolarHBondContact OD1-CE1 3.18Å; D195-H261 IonicContact OD1-ND1 3.33Å; D195-H261 PolarHBondContact OD1-ND1 3.08Å; D195-H261 VanDerWaalsContact OD1-ND1 3.15Å; D195-H261 IonicContact OD2-CE1 3.18Å; D195-H261 IonicContact OD2-CG 3.79Å; D195-H261 IonicContact OD2-ND1 2.85Å; D195-H261 PolarHBondContact OD2-ND1 3.19Å; D195-L328 WeakPolarHBondContact CA-O 3.33Å; D195-L328 WeakPolarHBondContact CB-O 3.3Å; D195-I356 WeakPolarHBondContact O-CA 3.41Å; D195-V357 HydrophobicContact CB-CB 3.91Å; D195-V357 HydrophobicContact CB-CG2 3.71Å; D195-V357 PolarHBondContact O-N 3.23Å
196V98.9Very high98.4Very high9 Ų917.1 Ų17.16%0.05510%0.104CC..EExtended strand (participates in β ladder)trans-115.5153174.3-580000111V198 L328 R330 A333 I353 G355 I356V196-V198 HydrophobicContact CG2-CG2 4.44Å; V196-L328 PolarHBondContact N-O 3.02Å; V196-L328 PolarHBondContact O-N 3.48Å; V196-R330 HydrophobicContact CG1-CB 4.3Å; V196-R330 HydrophobicContact CG1-CG 4.24Å; V196-A333 HydrophobicContact CG2-CB 3.19Å; V196-I353 HydrophobicContact CB-CG2 3.88Å; V196-I353 HydrophobicContact CG1-CG2 4.41Å; V196-I353 HydrophobicContact CG2-CG1 4.5Å; V196-I353 HydrophobicContact CG2-CG2 4.13Å; V196-G355 WeakPolarHBondContact CA-O 3.48Å; V196-I356 HydrophobicContact CG1-CG2 4.49Å
197L98.9Very high98.3Very high0 Ų015.7 Ų15.70%010%0.097CC..EExtended strand (participates in β ladder)trans-95119.3178.7-58.9174.5000109.1F288 I290 L325 I326 I353 I354 G355 V357L197-F288 HydrophobicContact CD1-CB 3.88Å; L197-F288 HydrophobicContact CD1-CG 4.35Å; L197-F288 HydrophobicContact CD2-CD1 4.35Å; L197-F288 HydrophobicContact CD2-CD2 4.28Å; L197-F288 HydrophobicContact CD2-CG 4.14Å; L197-I290 HydrophobicContact CD1-CG1 3.97Å; L197-L325 HydrophobicContact CB-CD1 4.04Å; L197-I326 CarbonylContact C-O 3.6Å; L197-I326 WeakPolarHBondContact CA-O 3.3Å; L197-I353 CarbonylContact O-C 3.57Å; L197-I353 WeakPolarHBondContact O-CA 3.44Å; L197-I354 HydrophobicContact CB-CG1 3.94Å; L197-I354 PolarHBondContact O-N 3.33Å; L197-G355 PolarHBondContact N-O 3.28Å; L197-V357 HydrophobicContact CD2-CG2 3.86Å; L197-V357 HydrophobicContact CG-CG2 4.44Å
198V98.9Very high98.3Very high0 Ų014.2 Ų14.20%09%0.09CC..EExtended strand (participates in β ladder)trans-108.9130176.5177.70000109.9V196 L325 I326 L328 A333 F336 A351 W352 I353V196-V198 HydrophobicContact CG2-CG2 4.44Å; V198-L325 CarbonylContact O-C 3.56Å; V198-L325 WeakPolarHBondContact O-CA 3.28Å; V198-I326 HydrophobicContact CB-CB 4.47Å; V198-I326 PolarHBondContact N-O 3.46Å; V198-I326 PolarHBondContact O-N 2.97Å; V198-L328 HydrophobicContact CB-CD1 4.17Å; V198-L328 HydrophobicContact CG2-CD1 3.8Å; V198-A333 HydrophobicContact CG2-CB 4.11Å; V198-F336 HydrophobicContact CG1-CD1 3.97Å; V198-F336 HydrophobicContact CG1-CE1 3.88Å; V198-A351 HydrophobicContact CG1-CB 3.89Å; V198-W352 CarbonylContact C-O 3.44Å; V198-W352 VanDerWaalsContact CA-O 3.27Å; V198-W352 WeakPolarHBondContact CA-O 3.2Å; V198-I353 HydrophobicContact CG2-CG1 3.97Å
199L98.9Very high98.2Very high0 Ų014.3 Ų14.30%09%0.09CC..EExtended strand (participates in β ladder)trans-111.7132.6174.4-177.163000110.2K201 L203 I266 I271 P294 L324 L325 A351 W352 I354L199-K201 WeakPolarHBondContact CD2-O 3.47Å; L199-K201 WeakPolarHBondContact CG-O 3.19Å; L199-L203 HydrophobicContact CD2-CD1 4.31Å; L199-L203 HydrophobicContact CD2-CD2 3.96Å; L199-L203 HydrophobicContact CD2-CG 3.96Å; L199-I266 HydrophobicContact CD1-CG1 3.7Å; L199-I271 HydrophobicContact CD1-CD1 4.38Å; L199-I271 HydrophobicContact CD2-CD1 4.37Å; L199-P294 HydrophobicContact CD2-CG 3.75Å; L199-P294 HydrophobicContact CG-CG 4.48Å; L199-L324 WeakPolarHBondContact CA-O 3.48Å; L199-L325 HydrophobicContact CD1-CB 4.5Å; L199-A351 WeakPolarHBondContact O-CA 3.47Å; L199-W352 PolarHBondContact N-O 3.43Å; L199-W352 PolarHBondContact O-N 3.48Å; L199-I354 HydrophobicContact CB-CD1 3.99Å; L199-I354 HydrophobicContact CB-CG1 4.32Å; L199-I354 HydrophobicContact CB-CG2 3.89Å; L199-I354 HydrophobicContact CD2-CD1 4.34Å
200T98.7Very high98.1Very high2 Ų213.9 Ų13.91%0.0129%0.089CC..  trans-102.1-6.6-170.569.40000115.8R246 A251 G323 L324 I326 F336 I340 A351T200-R246 PolarHBondContact O-NH2 3.48Å; T200-A251 HydrophobicContact CG2-CB 4.11Å; T200-G323 WeakPolarHBondContact OG1-CA 3.2Å; T200-L324 HydrophobicContact CG2-CB 4.29Å; T200-L324 PolarHBondContact N-O 2.9Å; T200-L324 VanDerWaalsContact N-O 3.07Å; T200-L324 PolarHBondContact OG1-N 3.42Å; T200-I326 HydrophobicContact CG2-CD1 3.83Å; T200-F336 HydrophobicContact CG2-CE1 4.09Å; T200-F336 HydrophobicContact CG2-CZ 4.22Å; T200-I340 HydrophobicContact CG2-CD1 4.1Å; T200-A351 HydrophobicContact CG2-CB 4.32Å
201K98.6Very high97.9Very high4 Ų410.6 Ų10.62%0.0177%0.071CC..SBendtrans-134.6150.5171.3-69.3-174.4-163.8173.50110.5L199 N243 R246 N248 S321 G322L199-K201 WeakPolarHBondContact CD2-O 3.47Å; L199-K201 WeakPolarHBondContact CG-O 3.19Å; K201-N243 HydrophobicContact CD-CB 4.44Å; K201-N243 VanDerWaalsContact CD-O 3.29Å; K201-N243 WeakPolarHBondContact CD-O 3.47Å; K201-N243 WeakPolarHBondContact CE-O 3.39Å; K201-N243 PolarHBondContact NZ-O 3.36Å; K201-R246 WeakPolarHBondContact CE-O 3.27Å; K201-R246 VanDerWaalsContact CG-NH2 3.28Å; K201-R246 PolarHBondContact NZ-O 2.91Å; K201-N248 WeakPolarHBondContact CE-OD1 3.48Å; K201-S321 PolarHBondContact NZ-O 2.89Å; K201-G322 VanDerWaalsContact CD-C 3.49Å; K201-G322 WeakPolarHBondContact CD-O 3Å; K201-G322 WeakPolarHBondContact CE-O 3.31Å; K201-G322 PolarHBondContact NZ-O 3.13Å
202P98.6Very high97.8Very high6 Ų611.7 Ų11.74%0.0398%0.076CC..  trans-68.4153.7172.731.3-35.1000111.1L296 W352 V375P202-L296 HydrophobicContact CB-CD2 4.2Å; P202-L296 HydrophobicContact CB-CG 4.19Å; P202-L296 HydrophobicContact CG-CD2 3.69Å; P202-L296 HydrophobicContact CG-CG 4.06Å; P202-W352 HydrophobicContact CB-CH2 4.33Å; P202-V375 HydrophobicContact CB-CB 4.14Å; P202-V375 HydrophobicContact CB-CG1 4.25Å; P202-V375 HydrophobicContact CB-CG2 4.07Å; P202-V375 HydrophobicContact CG-CG1 4.44Å
203L98.8Very high97.6Very high3 Ų310.1 Ų10.12%0.0167%0.066CC..BIsolated β-bridgetrans-87.6168.9174.9-57.1172.4000111.4L199 I266 I271 L293 P294 V295 L296 L312 E319L199-L203 HydrophobicContact CD2-CD1 4.31Å; L199-L203 HydrophobicContact CD2-CD2 3.96Å; L199-L203 HydrophobicContact CD2-CG 3.96Å; L203-I266 HydrophobicContact CD2-CG2 4.07Å; L203-I271 HydrophobicContact CD1-CB 4.03Å; L203-I271 HydrophobicContact CD1-CG1 4.33Å; L203-I271 HydrophobicContact CD1-CG2 3.8Å; L203-I271 HydrophobicContact CD2-CB 4.02Å; L203-I271 HydrophobicContact CD2-CG2 4.5Å; L203-L293 HydrophobicContact CD1-CB 4.2Å; L203-L293 HydrophobicContact CD1-CD2 3.81Å; L203-L293 HydrophobicContact CD1-CG 4.49Å; L203-P294 WeakPolarHBondContact CB-O 3.44Å; L203-P294 PolarHBondContact N-O 3.24Å; L203-V295 HydrophobicContact CB-CG2 4.35Å; L203-V295 WeakPolarHBondContact O-CA 3.38Å; L203-L296 PolarHBondContact O-N 3.3Å; L203-L312 HydrophobicContact CB-CD1 4.13Å; L203-E319 WeakPolarHBondContact CB-OE1 3.46Å; L203-E319 HydrophobicContact CD2-CG 4.02Å
204G97.9Very high97.4Very high0 Ų07.3 Ų7.30%05%0.046CC..  trans98.916.7173.900000114.5Q206 V207 A208 E319G204-Q206 VanDerWaalsContact C-N 3.33Å; G204-Q206 PolarHBondContact O-N 3.06Å; G204-V207 PolarHBondContact O-N 2.91Å; G204-A208 PolarHBondContact O-N 2.82Å; G204-E319 PolarHBondContact N-OE1 3.43Å; G204-E319 PolarHBondContact N-OE2 3.34Å; G204-E319 VanDerWaalsContact N-OE2 3.14Å
205T97.6Very high97.2Very high5 Ų57.4 Ų7.43%0.0314%0.038CC..Hα-helixtrans-59.7-43.3-179.858.20000111.6V207 A208 V209 A240 M244 E319 T320T205-V207 VanDerWaalsContact C-N 3.3Å; T205-V207 PolarHBondContact O-N 3.2Å; T205-A208 PolarHBondContact O-N 2.88Å; T205-V209 WeakPolarHBondContact O-CG2 3.26Å; T205-V209 PolarHBondContact O-N 2.88Å; T205-A240 HydrophobicContact CG2-CB 4.45Å; T205-M244 HydrophobicContact CG2-CG 3.82Å; T205-M244 HydrophobicContact CG2-SD 4.11Å; T205-E319 WeakPolarHBondContact CB-OE2 3.21Å; T205-E319 WeakPolarHBondContact CG2-OE2 2.94Å; T205-E319 PolarHBondContact N-OE2 3.2Å; T205-E319 WeakPolarHBondContact OG1-CA 3.32Å; T205-E319 PolarHBondContact OG1-OE2 3.03Å; T205-T320 PolarHBondContact OG1-N 3.39Å
206Q96.8Very high96.9Very high19 Ų1911.3 Ų11.39%0.0896%0.059CC..Hα-helixtrans-63.4-34.7178.1-179.761.56700112.9G28 G204 A210 F310 P318G28-Q206 WeakPolarHBondContact O-CG 3.49Å; G204-Q206 VanDerWaalsContact C-N 3.33Å; G204-Q206 PolarHBondContact O-N 3.06Å; Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 2.99Å; Q206-A210 VanDerWaalsContact O-N 3.14Å; Q206-F310 HydrophobicContact CG-CD1 4.42Å; Q206-P318 HydrophobicContact CB-CB 4.4Å; Q206-P318 WeakPolarHBondContact CB-O 3.45Å; Q206-P318 HydrophobicContact CG-CB 4.33Å; Q206-P318 HydrophobicContact CG-CG 4.32Å
207V96.9Very high96.7Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-67.4-50.6174.8-175.20000109.1G204 T205 V209 A210 V211 M299 V302 F310 L312G204-V207 PolarHBondContact O-N 2.91Å; T205-V207 VanDerWaalsContact C-N 3.3Å; T205-V207 PolarHBondContact O-N 3.2Å; V207-V209 PolarHBondContact O-N 2.91Å; V207-A210 PolarHBondContact O-N 3.22Å; V207-V211 HydrophobicContact CG1-CG1 4.36Å; V207-V211 WeakPolarHBondContact O-CG2 3.33Å; V207-V211 PolarHBondContact O-N 2.94Å; V207-M299 HydrophobicContact CB-CB 4.2Å; V207-M299 HydrophobicContact CB-CG 4.43Å; V207-M299 HydrophobicContact CB-SD 3.99Å; V207-M299 HydrophobicContact CG1-CB 4.18Å; V207-M299 HydrophobicContact CG1-CG 4.46Å; V207-M299 HydrophobicContact CG1-SD 3.65Å; V207-V302 HydrophobicContact CG1-CB 3.96Å; V207-V302 HydrophobicContact CG1-CG1 3.47Å; V207-V302 VanDerWaalsContact CG1-CG1 3.47Å; V207-F310 HydrophobicContact CG1-CD2 4.49Å; V207-F310 HydrophobicContact CG1-CE2 4.3Å; V207-F310 HydrophobicContact CG1-CZ 4.47Å; V207-F310 HydrophobicContact CG2-CB 3.99Å; V207-F310 HydrophobicContact CG2-CD1 3.89Å; V207-F310 HydrophobicContact CG2-CD2 4.15Å; V207-F310 HydrophobicContact CG2-CE1 4.36Å; V207-F310 HydrophobicContact CG2-CG 3.76Å; V207-L312 HydrophobicContact CG2-CB 4.5Å; V207-L312 HydrophobicContact CG2-CD2 3.98Å
208A97.4Very high96.4Very high0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-56.5-50.6-178.400000112.5G204 T205 A210 V211 H212 A236 A240 L296 M299G204-A208 PolarHBondContact O-N 2.82Å; T205-A208 PolarHBondContact O-N 2.88Å; A208-A210 PolarHBondContact O-N 3.17Å; A208-V211 WeakPolarHBondContact O-CG2 3.31Å; A208-V211 PolarHBondContact O-N 2.8Å; A208-H212 PolarHBondContact O-N 3.06Å; A208-H212 VanDerWaalsContact O-N 3.13Å; A208-A236 HydrophobicContact CB-CB 4.27Å; A208-A240 HydrophobicContact CB-CB 3.79Å; A208-L296 HydrophobicContact CB-CD1 4.32Å; A208-M299 VanDerWaalsContact CA-SD 3.54Å; A208-M299 HydrophobicContact CB-CG 4.39Å; A208-M299 HydrophobicContact CB-SD 3.86Å; A208-M299 PolarHBondContact N-SD 2.64Å
209V96.1Very high96.2Very high2 Ų225.5 Ų25.51%0.01213%0.134CC..Hα-helixtrans-68.4-34.2179.3-59.30000112.7I92 V93 T205 V207 Q213 Y237 M244I92-V209 HydrophobicContact CB-CG2 4.32Å; I92-V209 WeakPolarHBondContact O-CB 3.42Å; V93-V209 HydrophobicContact CG1-CG1 4.15Å; T205-V209 WeakPolarHBondContact O-CG2 3.26Å; T205-V209 PolarHBondContact O-N 2.88Å; V207-V209 PolarHBondContact O-N 2.91Å; V209-Q213 WeakPolarHBondContact O-CG 3.39Å; V209-Q213 PolarHBondContact O-N 2.94Å; V209-Y237 HydrophobicContact CG1-CD2 4.35Å; V209-Y237 HydrophobicContact CG1-CE2 4.47Å; V209-M244 HydrophobicContact CG1-CE 3.8Å
210A95.4Very high95.9Very high6 Ų628.8 Ų28.85%0.0515%0.148CC..Hα-helixtrans-68.2-45.2177.700000111.3Q206 V207 A208 Q213 W214 F310Q206-A210 WeakPolarHBondContact O-CB 3.13Å; Q206-A210 PolarHBondContact O-N 2.99Å; Q206-A210 VanDerWaalsContact O-N 3.14Å; V207-A210 PolarHBondContact O-N 3.22Å; A208-A210 PolarHBondContact O-N 3.17Å; A210-Q213 WeakPolarHBondContact O-CB 3.31Å; A210-Q213 PolarHBondContact O-N 2.81Å; A210-W214 VanDerWaalsContact O-CG 3.29Å; A210-W214 PolarHBondContact O-N 3.37Å; A210-W214 VanDerWaalsContact O-N 3.11Å; A210-W214 PolarHBondContact O-NE1 2.83Å; A210-F310 HydrophobicContact CB-CE1 3.76Å; A210-F310 HydrophobicContact CB-CZ 3.85Å
211V95.5Very high95.8Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-71.5-29.9-178.3-62.80000113.3V207 A208 W214 L215 I224 V233 M299 V302V207-V211 HydrophobicContact CG1-CG1 4.36Å; V207-V211 WeakPolarHBondContact O-CG2 3.33Å; V207-V211 PolarHBondContact O-N 2.94Å; A208-V211 WeakPolarHBondContact O-CG2 3.31Å; A208-V211 PolarHBondContact O-N 2.8Å; V211-W214 HydrophobicContact CG1-CE3 4.09Å; V211-W214 HydrophobicContact CG1-CZ3 4.24Å; V211-W214 WeakPolarHBondContact O-CB 3.45Å; V211-W214 PolarHBondContact O-N 3.28Å; V211-W214 VanDerWaalsContact O-N 3.07Å; V211-L215 PolarHBondContact O-N 3.46Å; V211-I224 HydrophobicContact CB-CD1 3.73Å; V211-I224 HydrophobicContact CG1-CD1 3.63Å; V211-V233 HydrophobicContact CB-CG2 4.41Å; V211-V233 HydrophobicContact CG2-CG1 3.95Å; V211-V233 HydrophobicContact CG2-CG2 3.93Å; V211-M299 HydrophobicContact CG2-CE 4.46Å; V211-M299 HydrophobicContact CG2-SD 4.33Å; V211-V302 HydrophobicContact CG1-CG1 3.5Å; V211-V302 VanDerWaalsContact CG1-CG1 3.5Å
212H95.9Very high95.6Very high23 Ų2334.1 Ų34.111%0.10617%0.174CC..Hα-helixtrans-58.8-48.1169179.7-90.7000110.9D94 A208 W214 L215 V233 E234 Y237D94-H212 IonicContact OD2-CE1 3.24Å; A208-H212 PolarHBondContact O-N 3.06Å; A208-H212 VanDerWaalsContact O-N 3.13Å; H212-W214 PolarHBondContact O-N 2.86Å; H212-W214 VanDerWaalsContact O-N 3.16Å; H212-L215 VanDerWaalsContact O-CB 3.28Å; H212-L215 WeakPolarHBondContact O-CB 3.24Å; H212-L215 WeakPolarHBondContact O-CG 3.49Å; H212-L215 PolarHBondContact O-N 2.93Å; H212-L215 VanDerWaalsContact O-N 3.1Å; H212-V233 HydrophobicContact CB-CG1 4.11Å; H212-E234 IonicContact CD2-OE1 3.37Å; H212-E234 IonicContact CD2-OE2 3.44Å; H212-E234 IonicContact NE2-OE1 3.15Å; H212-E234 IonicContact NE2-OE2 3.64Å; H212-Y237 HydrophobicContact CB-CD2 3.57Å; H212-Y237 HydrophobicContact CB-CE2 4.19Å; H212-Y237 HydrophobicContact CB-CG 3.84Å; H212-Y237 AromaticContact CD2-CD1 3.49Å; H212-Y237 VanDerWaalsContact CD2-CD1 3.49Å; H212-Y237 WeakPolarHBondContact CD2-CD1 3.44Å; H212-Y237 AromaticContact CD2-CD2 3.94Å; H212-Y237 AromaticContact CD2-CE1 3.94Å; H212-Y237 AromaticContact CD2-CG 3.47Å; H212-Y237 VanDerWaalsContact CD2-CG 3.47Å; H212-Y237 AromaticContact CE1-CE1 3.81Å; H212-Y237 AromaticContact CE1-CZ 3.78Å; H212-Y237 AromaticContact CG-CD1 3.95Å; H212-Y237 AromaticContact CG-CD2 3.53Å; H212-Y237 AromaticContact CG-CE2 3.83Å; H212-Y237 AromaticContact CG-CG 3.57Å; H212-Y237 AromaticContact ND1-CD2 3.92Å; H212-Y237 AromaticContact ND1-CE2 3.71Å; H212-Y237 AromaticContact ND1-CZ 3.82Å; H212-Y237 AromaticContact NE2-CD1 3.64Å; H212-Y237 AromaticContact NE2-CE1 3.65Å
213Q93.8Very high95.2Very high20 Ų2040.5 Ų40.59%0.09320%0.201CC..Hα-helixtrans-62.8-23.4174.2-66.31773600113.5T21 V209 A210 L215T21-Q213 HydrophobicContact CG2-CG 4.3Å; V209-Q213 WeakPolarHBondContact O-CG 3.39Å; V209-Q213 PolarHBondContact O-N 2.94Å; A210-Q213 WeakPolarHBondContact O-CB 3.31Å; A210-Q213 PolarHBondContact O-N 2.81Å; Q213-L215 VanDerWaalsContact C-N 3.3Å
214W95Very high95Very high15 Ų1540.4 Ų40.46%0.05720%0.201CC..Hα-helixtrans-76.9-18.1178.8-65.55.4000112.5A210 V211 H212 D216 I217 K220 W221 I224 M309 F310A210-W214 VanDerWaalsContact O-CG 3.29Å; A210-W214 PolarHBondContact O-N 3.37Å; A210-W214 VanDerWaalsContact O-N 3.11Å; A210-W214 PolarHBondContact O-NE1 2.83Å; V211-W214 HydrophobicContact CG1-CE3 4.09Å; V211-W214 HydrophobicContact CG1-CZ3 4.24Å; V211-W214 WeakPolarHBondContact O-CB 3.45Å; V211-W214 PolarHBondContact O-N 3.28Å; V211-W214 VanDerWaalsContact O-N 3.07Å; H212-W214 PolarHBondContact O-N 2.86Å; H212-W214 VanDerWaalsContact O-N 3.16Å; W214-D216 PolarHBondContact O-N 3.3Å; W214-I217 CarbonylContact O-C 3.52Å; W214-I217 PolarHBondContact O-N 3.43Å; W214-K220 HydrophobicContact CB-CB 3.73Å; W214-K220 VanDerWaalsContact CD1-CD 3.44Å; W214-K220 HydrophobicContact CD2-CB 3.73Å; W214-K220 HydrophobicContact CD2-CD 4.05Å; W214-K220 HydrophobicContact CD2-CG 4.44Å; W214-K220 HydrophobicContact CE3-CB 4.11Å; W214-K220 HydrophobicContact CG-CB 3.53Å; W214-K220 HydrophobicContact CG-CD 3.81Å; W214-K220 HydrophobicContact CG-CG 4.32Å; W214-W221 WeakPolarHBondContact O-CB 3.49Å; W214-I224 HydrophobicContact CE3-CD1 4.05Å; W214-I224 HydrophobicContact CE3-CG1 4.26Å; W214-I224 HydrophobicContact CE3-CG2 4.33Å; W214-I224 HydrophobicContact CZ3-CG2 3.9Å; W214-M309 HydrophobicContact CH2-CE 4.36Å; W214-M309 HydrophobicContact CH2-SD 3.48Å; W214-M309 WeakPolarHBondContact CH2-SD 3.37Å; W214-M309 HydrophobicContact CZ2-SD 3.56Å; W214-M309 VanDerWaalsContact CZ2-SD 3.56Å; W214-F310 AromaticContact CH2-CE2 3.82Å; W214-F310 HydrophobicContact CH2-CE2 3.82Å; W214-F310 AromaticContact CH2-CZ 3.79Å; W214-F310 HydrophobicContact CH2-CZ 3.79Å; W214-F310 HydrophobicContact CZ2-CE2 4.31Å; W214-F310 AromaticContact CZ2-CZ 3.81Å; W214-F310 HydrophobicContact CZ2-CZ 3.81Å
215L94.1Very high94.9Very high36 Ų3645.3 Ų45.319%0.18822%0.222CC..Hα-helixtrans-57-37.6173.5-64.2175.2000111.5V211 H212 Q213 I217 W221 Q230 V233 E234V211-L215 PolarHBondContact O-N 3.46Å; H212-L215 VanDerWaalsContact O-CB 3.28Å; H212-L215 WeakPolarHBondContact O-CB 3.24Å; H212-L215 WeakPolarHBondContact O-CG 3.49Å; H212-L215 PolarHBondContact O-N 2.93Å; H212-L215 VanDerWaalsContact O-N 3.1Å; Q213-L215 VanDerWaalsContact C-N 3.3Å; L215-I217 VanDerWaalsContact C-N 3.25Å; L215-I217 PolarHBondContact O-N 3.38Å; L215-W221 HydrophobicContact CD2-CD2 3.9Å; L215-W221 HydrophobicContact CD2-CE3 3.53Å; L215-W221 HydrophobicContact CD2-CH2 3.87Å; L215-W221 HydrophobicContact CD2-CZ2 4.19Å; L215-W221 HydrophobicContact CD2-CZ3 3.53Å; L215-Q230 HydrophobicContact CD2-CB 4.39Å; L215-Q230 HydrophobicContact CD2-CG 3.88Å; L215-V233 HydrophobicContact CD1-CB 4.46Å; L215-V233 HydrophobicContact CD1-CG1 3.74Å; L215-V233 HydrophobicContact CD2-CG1 4.38Å; L215-V233 HydrophobicContact CG-CG1 4.09Å; L215-E234 VanDerWaalsContact CD1-OE1 3.3Å; L215-E234 WeakPolarHBondContact CD1-OE1 3.47Å
216D92.2Very high94.7Very high87 Ų8752.9 Ų52.947%0.46526%0.261SS..THydrogen-bonded Turntrans-80-1.8177.2-66.8-36.9000113.3R19 W214R19-D216 IonicContact CZ-OD2 3.41Å; R19-D216 IonicContact NE-OD2 3.77Å; R19-D216 PolarHBondContact NE-OD2 2.94Å; R19-D216 IonicContact NH2-OD1 3.82Å; R19-D216 PolarHBondContact NH2-OD1 3.28Å; R19-D216 IonicContact NH2-OD2 2.97Å; R19-D216 PolarHBondContact NH2-OD2 2.82Å; W214-D216 PolarHBondContact O-N 3.3Å
217I93.8Very high94.7Very high56 Ų5654.6 Ų54.629%0.28727%0.273SS..  trans-125.293.7-175.7-53.3171.7000109.4W214 L215 E219 K220 W221W214-I217 CarbonylContact O-C 3.52Å; W214-I217 PolarHBondContact O-N 3.43Å; L215-I217 VanDerWaalsContact C-N 3.25Å; L215-I217 PolarHBondContact O-N 3.38Å; I217-E219 VanDerWaalsContact C-N 3.27Å; I217-E219 PolarHBondContact O-N 3.23Å; I217-E219 VanDerWaalsContact O-N 3.07Å; I217-K220 HydrophobicContact CB-CB 4.22Å; I217-K220 HydrophobicContact CB-CD 4.45Å; I217-K220 HydrophobicContact CB-CG 4.34Å; I217-K220 HydrophobicContact CD1-CD 4.07Å; I217-K220 HydrophobicContact CG2-CB 4.12Å; I217-K220 HydrophobicContact CG2-CD 4.16Å; I217-K220 HydrophobicContact CG2-CG 3.82Å; I217-K220 PolarHBondContact O-N 2.96Å; I217-W221 PolarHBondContact O-N 3.32Å
218P93.8Very high94.7Very high92 Ų9254.9 Ų54.960%0.59727%0.274SS*.Hα-helixtrans-51.3-41-171.9-30.635.4000114.6K220 N222P218-K220 VanDerWaalsContact C-N 3.32Å; P218-K220 PolarHBondContact O-N 3.15Å; P218-N222 VanDerWaalsContact O-CB 3.3Å; P218-N222 WeakPolarHBondContact O-CB 3.48Å; P218-N222 PolarHBondContact O-N 3.38Å; P218-N222 PolarHBondContact O-ND2 3.38Å
219E94.5Very high94.7Very high160 Ų16058.3 Ų58.375%0.74830%0.296SS*.Hα-helixtrans-62.5-36.6178.5-65.2-178-178.800113.2I217I217-E219 VanDerWaalsContact C-N 3.27Å; I217-E219 PolarHBondContact O-N 3.23Å; I217-E219 VanDerWaalsContact O-N 3.07Å
220K93.3Very high94.7Very high69 Ų6963.6 Ų63.630%0.332%0.32SS..Hα-helixtrans-81.6-42.5179.1-65.8-170.1-177.3-179.30111.3W214 I217 P218 N222 K223W214-K220 HydrophobicContact CB-CB 3.73Å; W214-K220 VanDerWaalsContact CD1-CD 3.44Å; W214-K220 HydrophobicContact CD2-CB 3.73Å; W214-K220 HydrophobicContact CD2-CD 4.05Å; W214-K220 HydrophobicContact CD2-CG 4.44Å; W214-K220 HydrophobicContact CE3-CB 4.11Å; W214-K220 HydrophobicContact CG-CB 3.53Å; W214-K220 HydrophobicContact CG-CD 3.81Å; W214-K220 HydrophobicContact CG-CG 4.32Å; I217-K220 HydrophobicContact CB-CB 4.22Å; I217-K220 HydrophobicContact CB-CD 4.45Å; I217-K220 HydrophobicContact CB-CG 4.34Å; I217-K220 HydrophobicContact CD1-CD 4.07Å; I217-K220 HydrophobicContact CG2-CB 4.12Å; I217-K220 HydrophobicContact CG2-CD 4.16Å; I217-K220 HydrophobicContact CG2-CG 3.82Å; I217-K220 PolarHBondContact O-N 2.96Å; P218-K220 VanDerWaalsContact C-N 3.32Å; P218-K220 PolarHBondContact O-N 3.15Å; K220-N222 VanDerWaalsContact C-N 3.26Å; K220-N222 PolarHBondContact O-N 2.96Å; K220-K223 WeakPolarHBondContact O-CB 3.45Å; K220-K223 PolarHBondContact O-N 3.35Å; K220-K223 VanDerWaalsContact O-N 3.08Å
221W95.3Very high94.7Very high36 Ų3670 Ų7014%0.13635%0.349CS..Hα-helixtrans-56.2-42.3174.4179.9-125.8000112W214 L215 I217 K223 I224 K225 V228 Q230 V233W214-W221 WeakPolarHBondContact O-CB 3.49Å; L215-W221 HydrophobicContact CD2-CD2 3.9Å; L215-W221 HydrophobicContact CD2-CE3 3.53Å; L215-W221 HydrophobicContact CD2-CH2 3.87Å; L215-W221 HydrophobicContact CD2-CZ2 4.19Å; L215-W221 HydrophobicContact CD2-CZ3 3.53Å; I217-W221 PolarHBondContact O-N 3.32Å; W221-K223 PolarHBondContact O-N 3.15Å; W221-I224 HydrophobicContact CE3-CD1 3.69Å; W221-I224 HydrophobicContact CE3-CG1 3.74Å; W221-I224 HydrophobicContact CZ3-CD1 3.58Å; W221-I224 HydrophobicContact CZ3-CG1 3.9Å; W221-I224 PolarHBondContact O-N 3.33Å; W221-K225 HydrophobicContact CD2-CB 4.33Å; W221-K225 HydrophobicContact CZ2-CB 4.11Å; W221-K225 WeakPolarHBondContact O-CB 3.39Å; W221-K225 PolarHBondContact O-N 3.44Å; W221-V228 HydrophobicContact CH2-CG1 4.31Å; W221-V228 HydrophobicContact CZ3-CG1 4.22Å; W221-Q230 HydrophobicContact CH2-CG 3.93Å; W221-Q230 HydrophobicContact CZ2-CG 3.44Å; W221-Q230 VanDerWaalsContact CZ2-CG 3.44Å; W221-V233 HydrophobicContact CH2-CG2 4.29Å; W221-V233 HydrophobicContact CZ3-CG2 3.93Å
222N94.2Very high94.7Very high82 Ų8272 Ų7244%0.43936%0.36SS..Hα-helixtrans-57.6-22.3178.5-80.9-35.4000114.4P218 K220 K225P218-N222 VanDerWaalsContact O-CB 3.3Å; P218-N222 WeakPolarHBondContact O-CB 3.48Å; P218-N222 PolarHBondContact O-N 3.38Å; P218-N222 PolarHBondContact O-ND2 3.38Å; K220-N222 VanDerWaalsContact C-N 3.26Å; K220-N222 PolarHBondContact O-N 2.96Å; N222-K225 WeakPolarHBondContact OD1-CD 3.27Å; N222-K225 WeakPolarHBondContact OD1-CE 3.38Å; N222-K225 PolarHBondContact OD1-NZ 2.93Å
223K92Very high94.8Very high140 Ų14070.9 Ų70.961%0.60936%0.355SS*.Hα-helixtrans-74.7-29.4177.4-63.1-177.6179.2-177.40113.2K220 W221K220-K223 WeakPolarHBondContact O-CB 3.45Å; K220-K223 PolarHBondContact O-N 3.35Å; K220-K223 VanDerWaalsContact O-N 3.08Å; W221-K223 PolarHBondContact O-N 3.15Å
224I94.4Very high94.9Very high1 Ų174 Ų741%0.00537%0.369CS..Hα-helixtrans-118-8.9-172.259.4157.9000113.7V211 W214 W221 L226 V227 V228 V302V211-I224 HydrophobicContact CB-CD1 3.73Å; V211-I224 HydrophobicContact CG1-CD1 3.63Å; W214-I224 HydrophobicContact CE3-CD1 4.05Å; W214-I224 HydrophobicContact CE3-CG1 4.26Å; W214-I224 HydrophobicContact CE3-CG2 4.33Å; W214-I224 HydrophobicContact CZ3-CG2 3.9Å; W221-I224 HydrophobicContact CE3-CD1 3.69Å; W221-I224 HydrophobicContact CE3-CG1 3.74Å; W221-I224 HydrophobicContact CZ3-CD1 3.58Å; W221-I224 HydrophobicContact CZ3-CG1 3.9Å; W221-I224 PolarHBondContact O-N 3.33Å; I224-L226 PolarHBondContact O-N 2.84Å; I224-V227 WeakPolarHBondContact O-CA 3.16Å; I224-V227 WeakPolarHBondContact O-CB 3.47Å; I224-V227 PolarHBondContact O-N 2.9Å; I224-V228 HydrophobicContact CB-CG1 4.41Å; I224-V228 HydrophobicContact CD1-CG1 4.01Å; I224-V228 HydrophobicContact CG1-CG1 4.49Å; I224-V228 PolarHBondContact O-N 2.93Å; I224-V228 VanDerWaalsContact O-N 3.16Å; I224-V302 HydrophobicContact CG2-CG1 4.33Å
225K93.9Very high94.9Very high103 Ų10376.6 Ų76.645%0.44838%0.384SS..THydrogen-bonded Turntrans-57.3-20.2-178.769.9175.2176.7-173.20115.3W221 N222W221-K225 HydrophobicContact CD2-CB 4.33Å; W221-K225 HydrophobicContact CZ2-CB 4.11Å; W221-K225 WeakPolarHBondContact O-CB 3.39Å; W221-K225 PolarHBondContact O-N 3.44Å; N222-K225 WeakPolarHBondContact OD1-CD 3.27Å; N222-K225 WeakPolarHBondContact OD1-CE 3.38Å; N222-K225 PolarHBondContact OD1-NZ 2.93Å
226L94.7Very high95Very high163 Ų16375.1 Ų75.185%0.85338%0.377SS*.THydrogen-bonded Turntrans-90.6-6.8176.2-61.5-179000112.9I224I224-L226 PolarHBondContact O-N 2.84Å
227V96.1Very high95.2Very high55 Ų5571.9 Ų71.933%0.33336%0.358SS..THydrogen-bonded Turntrans-105.4-36.1-175.9-177.50000111I224 A301 V302 A305I224-V227 WeakPolarHBondContact O-CA 3.16Å; I224-V227 WeakPolarHBondContact O-CB 3.47Å; I224-V227 PolarHBondContact O-N 2.9Å; V227-A301 HydrophobicContact CG1-CB 3.98Å; V227-V302 HydrophobicContact CG1-CG2 4.39Å; V227-A305 HydrophobicContact CG1-CB 4.36Å; V227-A305 HydrophobicContact CG2-CB 3.63Å
228V96.6Very high95.3Very high6 Ų673.6 Ų73.64%0.03637%0.365CS..  trans-144.6146-171.771.10000110.4W221 I224 D232 V233 K298 V302W221-V228 HydrophobicContact CH2-CG1 4.31Å; W221-V228 HydrophobicContact CZ3-CG1 4.22Å; I224-V228 HydrophobicContact CB-CG1 4.41Å; I224-V228 HydrophobicContact CD1-CG1 4.01Å; I224-V228 HydrophobicContact CG1-CG1 4.49Å; I224-V228 PolarHBondContact O-N 2.93Å; I224-V228 VanDerWaalsContact O-N 3.16Å; V228-D232 HydrophobicContact CG2-CB 3.22Å; V228-V233 HydrophobicContact CG1-CG2 3.79Å; V228-V233 HydrophobicContact CG2-CG2 4.08Å; V228-K298 HydrophobicContact CG2-CB 4.13Å; V228-K298 HydrophobicContact CG2-CG 4.35Å; V228-V302 HydrophobicContact CB-CG2 4.08Å; V228-V302 HydrophobicContact CG1-CG2 3.97Å; V228-V302 HydrophobicContact CG2-CG2 4.48Å
229T97.2Very high95.4Very high72 Ų7269.9 Ų69.944%0.44234%0.34SS..  trans-83.3167174.569.10000110.9E231 D232 V233T229-E231 VanDerWaalsContact C-N 3.29Å; T229-D232 PolarHBondContact N-OD2 2.8Å; T229-D232 PolarHBondContact O-N 3.04Å; T229-D232 WeakPolarHBondContact OG1-CB 3.36Å; T229-D232 VanDerWaalsContact OG1-CG 3.32Å; T229-D232 PolarHBondContact OG1-N 2.81Å; T229-D232 PolarHBondContact OG1-OD2 2.9Å; T229-V233 WeakPolarHBondContact O-CG2 3.18Å; T229-V233 PolarHBondContact O-N 3.37Å
230Q96.6Very high95.5Very high113 Ų11362.3 Ų62.353%0.52830%0.304SS..Hα-helixtrans-63.7-39.2172.4-65.3-173.9-2100111.1L215 W221 D232 V233 E234L215-Q230 HydrophobicContact CD2-CB 4.39Å; L215-Q230 HydrophobicContact CD2-CG 3.88Å; W221-Q230 HydrophobicContact CH2-CG 3.93Å; W221-Q230 HydrophobicContact CZ2-CG 3.44Å; W221-Q230 VanDerWaalsContact CZ2-CG 3.44Å; Q230-D232 PolarHBondContact O-N 2.84Å; Q230-V233 WeakPolarHBondContact O-CB 3.44Å; Q230-V233 PolarHBondContact O-N 2.84Å; Q230-V233 VanDerWaalsContact O-N 3.12Å; Q230-E234 WeakPolarHBondContact O-CG 3.34Å; Q230-E234 PolarHBondContact O-N 2.89Å
231E95.9Very high95.7Very high141 Ų14159.8 Ų59.866%0.65929%0.294SS*.Hα-helixtrans-60.6-44.7176.4-176179.5-17500112.3T229 V233 E234 L235T229-E231 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.41Å; E231-E234 PolarHBondContact O-N 2.86Å; E231-L235 HydrophobicContact CG-CD1 4.18Å; E231-L235 WeakPolarHBondContact O-CB 3.35Å; E231-L235 VanDerWaalsContact O-CG 3.3Å; E231-L235 WeakPolarHBondContact O-CG 3.36Å; E231-L235 PolarHBondContact O-N 2.81Å
232D96.4Very high95.8Very high42 Ų4261.6 Ų61.623%0.22531%0.306CS..Hα-helixtrans-59.2-37.7174.7-78.3-26.3000111.4V228 T229 Q230 A236 K298V228-D232 HydrophobicContact CG2-CB 3.22Å; T229-D232 PolarHBondContact N-OD2 2.8Å; T229-D232 PolarHBondContact O-N 3.04Å; T229-D232 WeakPolarHBondContact OG1-CB 3.36Å; T229-D232 VanDerWaalsContact OG1-CG 3.32Å; T229-D232 PolarHBondContact OG1-N 2.81Å; T229-D232 PolarHBondContact OG1-OD2 2.9Å; Q230-D232 PolarHBondContact O-N 2.84Å; D232-A236 WeakPolarHBondContact O-CB 3.05Å; D232-A236 PolarHBondContact O-N 3.07Å; D232-K298 HydrophobicContact CB-CG 4.33Å; D232-K298 WeakPolarHBondContact OD2-CE 3.47Å; D232-K298 IonicContact OD2-NZ 3.94Å
233V96.6Very high95.9Very high0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-67.9-47.1176.8168.10000111.6V211 H212 L215 W221 V228 T229 Q230 E231 L235 A236 Y237V211-V233 HydrophobicContact CB-CG2 4.41Å; V211-V233 HydrophobicContact CG2-CG1 3.95Å; V211-V233 HydrophobicContact CG2-CG2 3.93Å; H212-V233 HydrophobicContact CB-CG1 4.11Å; L215-V233 HydrophobicContact CD1-CB 4.46Å; L215-V233 HydrophobicContact CD1-CG1 3.74Å; L215-V233 HydrophobicContact CD2-CG1 4.38Å; L215-V233 HydrophobicContact CG-CG1 4.09Å; W221-V233 HydrophobicContact CH2-CG2 4.29Å; W221-V233 HydrophobicContact CZ3-CG2 3.93Å; V228-V233 HydrophobicContact CG1-CG2 3.79Å; V228-V233 HydrophobicContact CG2-CG2 4.08Å; T229-V233 WeakPolarHBondContact O-CG2 3.18Å; T229-V233 PolarHBondContact O-N 3.37Å; Q230-V233 WeakPolarHBondContact O-CB 3.44Å; Q230-V233 PolarHBondContact O-N 2.84Å; Q230-V233 VanDerWaalsContact O-N 3.12Å; E231-V233 PolarHBondContact O-N 3.41Å; V233-L235 VanDerWaalsContact C-N 3.33Å; V233-L235 PolarHBondContact O-N 2.94Å; V233-A236 PolarHBondContact O-N 2.89Å; V233-Y237 VanDerWaalsContact O-CB 3.29Å; V233-Y237 WeakPolarHBondContact O-CB 3.22Å; V233-Y237 PolarHBondContact O-N 2.82Å
234E95.4Very high96.2Very high86 Ų8651.6 Ų51.640%0.40226%0.259SS..Hα-helixtrans-60.4-43.8177.8-69.2-59.4157.600111.5H212 L215 Q230 E231 Y237 H238H212-E234 IonicContact CD2-OE1 3.37Å; H212-E234 IonicContact CD2-OE2 3.44Å; H212-E234 IonicContact NE2-OE1 3.15Å; H212-E234 IonicContact NE2-OE2 3.64Å; L215-E234 VanDerWaalsContact CD1-OE1 3.3Å; L215-E234 WeakPolarHBondContact CD1-OE1 3.47Å; Q230-E234 WeakPolarHBondContact O-CG 3.34Å; Q230-E234 PolarHBondContact O-N 2.89Å; E231-E234 PolarHBondContact O-N 2.86Å; E234-Y237 PolarHBondContact O-N 2.91Å; E234-H238 WeakPolarHBondContact O-CB 3.15Å; E234-H238 PolarHBondContact O-N 2.74Å
235L95.5Very high96.4Very high68 Ų6851.8 Ų51.836%0.35626%0.26SS..Hα-helixtrans-62.3-46.3176.2-72.6173.2000111.9E231 V233 Y237 H238 E239 P377E231-L235 HydrophobicContact CG-CD1 4.18Å; E231-L235 WeakPolarHBondContact O-CB 3.35Å; E231-L235 VanDerWaalsContact O-CG 3.3Å; E231-L235 WeakPolarHBondContact O-CG 3.36Å; E231-L235 PolarHBondContact O-N 2.81Å; V233-L235 VanDerWaalsContact C-N 3.33Å; V233-L235 PolarHBondContact O-N 2.94Å; L235-Y237 VanDerWaalsContact C-N 3.35Å; L235-H238 PolarHBondContact O-N 3.11Å; L235-E239 WeakPolarHBondContact O-CB 3.4Å; L235-E239 WeakPolarHBondContact O-CG 3.47Å; L235-E239 PolarHBondContact O-N 2.79Å; L235-P377 HydrophobicContact CB-CG 4.06Å
236A96.7Very high96.6Very high6 Ų648.7 Ų48.75%0.0525%0.246CC..Hα-helixtrans-65.6-38.1178.200000112.2A208 D232 V233 A240 M299A208-A236 HydrophobicContact CB-CB 4.27Å; D232-A236 WeakPolarHBondContact O-CB 3.05Å; D232-A236 PolarHBondContact O-N 3.07Å; V233-A236 PolarHBondContact O-N 2.89Å; A236-A240 VanDerWaalsContact O-CB 3.23Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 2.94Å; A236-M299 HydrophobicContact CB-CE 3.69Å; A236-M299 HydrophobicContact CB-SD 4.18Å
237Y96.8Very high96.8Very high19 Ų1941.6 Ų41.68%0.07521%0.209CC..Hα-helixtrans-64.3-46.6175.8173.1-105.9000111.8V93 D94 V209 H212 V233 E234 L235 A240 M241V93-Y237 WeakPolarHBondContact CA-OH 3.35Å; V93-Y237 HydrophobicContact CB-CE2 4.02Å; V93-Y237 VanDerWaalsContact CB-OH 3.31Å; V93-Y237 WeakPolarHBondContact CB-OH 3.44Å; V93-Y237 HydrophobicContact CG1-CE2 3.74Å; D94-Y237 PolarHBondContact N-OH 2.93Å; V209-Y237 HydrophobicContact CG1-CD2 4.35Å; V209-Y237 HydrophobicContact CG1-CE2 4.47Å; H212-Y237 HydrophobicContact CB-CD2 3.57Å; H212-Y237 HydrophobicContact CB-CE2 4.19Å; H212-Y237 HydrophobicContact CB-CG 3.84Å; H212-Y237 AromaticContact CD2-CD1 3.49Å; H212-Y237 VanDerWaalsContact CD2-CD1 3.49Å; H212-Y237 WeakPolarHBondContact CD2-CD1 3.44Å; H212-Y237 AromaticContact CD2-CD2 3.94Å; H212-Y237 AromaticContact CD2-CE1 3.94Å; H212-Y237 AromaticContact CD2-CG 3.47Å; H212-Y237 VanDerWaalsContact CD2-CG 3.47Å; H212-Y237 AromaticContact CE1-CE1 3.81Å; H212-Y237 AromaticContact CE1-CZ 3.78Å; H212-Y237 AromaticContact CG-CD1 3.95Å; H212-Y237 AromaticContact CG-CD2 3.53Å; H212-Y237 AromaticContact CG-CE2 3.83Å; H212-Y237 AromaticContact CG-CG 3.57Å; H212-Y237 AromaticContact ND1-CD2 3.92Å; H212-Y237 AromaticContact ND1-CE2 3.71Å; H212-Y237 AromaticContact ND1-CZ 3.82Å; H212-Y237 AromaticContact NE2-CD1 3.64Å; H212-Y237 AromaticContact NE2-CE1 3.65Å; V233-Y237 VanDerWaalsContact O-CB 3.29Å; V233-Y237 WeakPolarHBondContact O-CB 3.22Å; V233-Y237 PolarHBondContact O-N 2.82Å; E234-Y237 PolarHBondContact O-N 2.91Å; L235-Y237 VanDerWaalsContact C-N 3.35Å; Y237-A240 PolarHBondContact O-N 3.31Å; Y237-M241 VanDerWaalsContact O-CB 3.31Å; Y237-M241 WeakPolarHBondContact O-CB 3.46Å; Y237-M241 PolarHBondContact O-N 2.78Å
238H95.7Very high96.9Very high91 Ų9139.1 Ų39.142%0.42119%0.194SC..Hα-helixtrans-62.6-46.8177.1-175.3-94.8000111.7E234 L235 A240 M241 L242E234-H238 WeakPolarHBondContact O-CB 3.15Å; E234-H238 PolarHBondContact O-N 2.74Å; L235-H238 PolarHBondContact O-N 3.11Å; H238-A240 PolarHBondContact O-N 2.81Å; H238-M241 WeakPolarHBondContact O-CB 3.29Å; H238-M241 PolarHBondContact O-N 3.32Å; H238-L242 VanDerWaalsContact CE1-CD1 3.4Å; H238-L242 WeakPolarHBondContact CE1-CD1 3.46Å; H238-L242 WeakPolarHBondContact O-CG 3.3Å; H238-L242 PolarHBondContact O-N 3.08Å
239E95.8Very high97Very high15 Ų1541.9 Ų41.97%0.0720%0.203CC..Hα-helixtrans-62.8-41.4175.8-75-68.7157.700112.5L235 L242 N243 L296 P377 Q378L235-E239 WeakPolarHBondContact O-CB 3.4Å; L235-E239 WeakPolarHBondContact O-CG 3.47Å; L235-E239 PolarHBondContact O-N 2.79Å; E239-L242 PolarHBondContact O-N 2.67Å; E239-N243 WeakPolarHBondContact O-CB 3.5Å; E239-N243 PolarHBondContact O-N 2.84Å; E239-N243 PolarHBondContact O-ND2 3.47Å; E239-L296 HydrophobicContact CB-CD2 4.01Å; E239-P377 VanDerWaalsContact CD-CA 3.49Å; E239-P377 HydrophobicContact CG-CB 3.52Å; E239-P377 HydrophobicContact CG-CG 3.93Å; E239-P377 VanDerWaalsContact OE1-CA 3.29Å; E239-P377 WeakPolarHBondContact OE1-CA 3.42Å; E239-P377 WeakPolarHBondContact OE1-CB 3.42Å; E239-Q378 PolarHBondContact OE1-N 3.04Å
240A97.5Very high97Very high0 Ų041 Ų410%020%0.198CC..Hα-helixtrans-59.6-49.7173.400000110.2T205 A208 A236 Y237 H238 L242 N243 M244 L296T205-A240 HydrophobicContact CG2-CB 4.45Å; A208-A240 HydrophobicContact CB-CB 3.79Å; A236-A240 VanDerWaalsContact O-CB 3.23Å; A236-A240 WeakPolarHBondContact O-CB 3.45Å; A236-A240 PolarHBondContact O-N 2.94Å; Y237-A240 PolarHBondContact O-N 3.31Å; H238-A240 PolarHBondContact O-N 2.81Å; A240-L242 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 3.26Å; A240-N243 PolarHBondContact O-N 2.79Å; A240-M244 HydrophobicContact CB-CE 4.18Å; A240-M244 WeakPolarHBondContact O-CB 3.46Å; A240-M244 WeakPolarHBondContact O-CG 3.48Å; A240-M244 PolarHBondContact O-N 3.21Å; A240-L296 HydrophobicContact CB-CD1 3.73Å
241M97.2Very high97.1Very high17 Ų1735.8 Ų35.88%0.08417%0.174CC..Hα-helixtrans-57.1-43.8179.7-174.2174.764.400112.3V93 D95 M98 I102 Y237 H238 A245V93-M241 HydrophobicContact CB-SD 4.41Å; V93-M241 HydrophobicContact CG1-CB 4.35Å; V93-M241 HydrophobicContact CG1-CG 4.22Å; V93-M241 HydrophobicContact CG2-SD 4.47Å; D95-M241 HydrophobicContact CB-SD 4.17Å; M98-M241 HydrophobicContact CB-CG 3.72Å; M98-M241 HydrophobicContact CB-SD 3.49Å; M98-M241 WeakPolarHBondContact CB-SD 3.48Å; M98-M241 HydrophobicContact CE-CG 3.84Å; M98-M241 HydrophobicContact CG-CE 4.03Å; M98-M241 HydrophobicContact CG-CG 4.04Å; M98-M241 HydrophobicContact CG-SD 3.61Å; I102-M241 HydrophobicContact CD1-CG 4.09Å; Y237-M241 VanDerWaalsContact O-CB 3.31Å; Y237-M241 WeakPolarHBondContact O-CB 3.46Å; Y237-M241 PolarHBondContact O-N 2.78Å; H238-M241 WeakPolarHBondContact O-CB 3.29Å; H238-M241 PolarHBondContact O-N 3.32Å; M241-A245 WeakPolarHBondContact O-CB 3.16Å; M241-A245 PolarHBondContact O-N 2.97Å
242L96.3Very high97.2Very high73 Ų7329 Ų2938%0.38214%0.143SC..Hα-helixtrans-66.3-46.9176.1-69.1-176.8000112.6M98 H238 E239 A240 M244 A245 R246M98-L242 HydrophobicContact CE-CD2 4.17Å; H238-L242 VanDerWaalsContact CE1-CD1 3.4Å; H238-L242 WeakPolarHBondContact CE1-CD1 3.46Å; H238-L242 WeakPolarHBondContact O-CG 3.3Å; H238-L242 PolarHBondContact O-N 3.08Å; E239-L242 PolarHBondContact O-N 2.67Å; A240-L242 VanDerWaalsContact C-N 3.33Å; A240-L242 PolarHBondContact O-N 3.26Å; L242-M244 VanDerWaalsContact C-N 3.34Å; L242-M244 PolarHBondContact O-N 3.37Å; L242-A245 PolarHBondContact O-N 3.41Å; L242-R246 PolarHBondContact O-N 2.77Å; L242-R246 VanDerWaalsContact O-N 3.08Å
243N97.3Very high97.3Very high13 Ų1328.2 Ų28.27%0.0714%0.144CC..Hα-helixtrans-64.5-39179.1-76.9-69.3000111.6K201 E239 A240 A245 R246K201-N243 HydrophobicContact CD-CB 4.44Å; K201-N243 VanDerWaalsContact CD-O 3.29Å; K201-N243 WeakPolarHBondContact CD-O 3.47Å; K201-N243 WeakPolarHBondContact CE-O 3.39Å; K201-N243 PolarHBondContact NZ-O 3.36Å; E239-N243 WeakPolarHBondContact O-CB 3.5Å; E239-N243 PolarHBondContact O-N 2.84Å; E239-N243 PolarHBondContact O-ND2 3.47Å; A240-N243 PolarHBondContact O-N 2.79Å; N243-A245 VanDerWaalsContact C-N 3.34Å; N243-R246 WeakPolarHBondContact O-CB 3.39Å; N243-R246 PolarHBondContact O-N 3.16Å; N243-R246 PolarHBondContact OD1-NH1 2.95Å
244M98.6Very high97.4Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-67.6-33176.3-67.5-170.8-67.300112.4I92 V93 I102 A105 T205 V209 A240 L242 R246 T320 S321I92-M244 HydrophobicContact CD1-CE 3.78Å; I92-M244 HydrophobicContact CD1-SD 3.47Å; I92-M244 WeakPolarHBondContact CD1-SD 3.28Å; V93-M244 HydrophobicContact CG1-CE 3.97Å; I102-M244 HydrophobicContact CB-CB 4.47Å; I102-M244 HydrophobicContact CD1-CB 4.01Å; I102-M244 HydrophobicContact CD1-CE 3.96Å; I102-M244 HydrophobicContact CG1-CB 3.74Å; I102-M244 HydrophobicContact CG2-CB 3.94Å; A105-M244 WeakPolarHBondContact CB-O 3.5Å; T205-M244 HydrophobicContact CG2-CG 3.82Å; T205-M244 HydrophobicContact CG2-SD 4.11Å; V209-M244 HydrophobicContact CG1-CE 3.8Å; A240-M244 HydrophobicContact CB-CE 4.18Å; A240-M244 WeakPolarHBondContact O-CB 3.46Å; A240-M244 WeakPolarHBondContact O-CG 3.48Å; A240-M244 PolarHBondContact O-N 3.21Å; L242-M244 VanDerWaalsContact C-N 3.34Å; L242-M244 PolarHBondContact O-N 3.37Å; M244-R246 VanDerWaalsContact C-N 3.33Å; M244-T320 WeakPolarHBondContact CG-O 3.37Å; M244-T320 HydrophobicContact SD-CG2 4.46Å; M244-S321 WeakPolarHBondContact O-CB 3.39Å; M244-S321 PolarHBondContact O-OG 3.39Å
245A98.4Very high97.6Very high4 Ų424.3 Ų24.33%0.03313%0.126CC..Hα-helixtrans-80-13.9176.700000113.8M98 R101 I102 M241 L242 N243M98-A245 HydrophobicContact CE-CB 3.55Å; R101-A245 HydrophobicContact CB-CB 4.06Å; I102-A245 HydrophobicContact CG1-CB 4.01Å; M241-A245 WeakPolarHBondContact O-CB 3.16Å; M241-A245 PolarHBondContact O-N 2.97Å; L242-A245 PolarHBondContact O-N 3.41Å; N243-A245 VanDerWaalsContact C-N 3.34Å
246R98.1Very high97.7Very high39 Ų3924.5 Ų24.515%0.14713%0.125CC..SBendtrans-73.6128.2178.8-174.7174.279.3-140.48.5111.2T200 K201 L242 N243 M244 H349T200-R246 PolarHBondContact O-NH2 3.48Å; K201-R246 WeakPolarHBondContact CE-O 3.27Å; K201-R246 VanDerWaalsContact CG-NH2 3.28Å; K201-R246 PolarHBondContact NZ-O 2.91Å; L242-R246 PolarHBondContact O-N 2.77Å; L242-R246 VanDerWaalsContact O-N 3.08Å; N243-R246 WeakPolarHBondContact O-CB 3.39Å; N243-R246 PolarHBondContact O-N 3.16Å; N243-R246 PolarHBondContact OD1-NH1 2.95Å; M244-R246 VanDerWaalsContact C-N 3.33Å; R246-H349 WeakPolarHBondContact CD-CD2 3.34Å; R246-H349 WeakPolarHBondContact CD-NE2 3.49Å; R246-H349 VanDerWaalsContact NH1-CB 3.33Å; R246-H349 PolarHBondContact NH1-CD2 2.58Å; R246-H349 PolarHBondContact NH1-ND1 3.47Å
247L98.4Very high97.8Very high13 Ų1328.4 Ų28.47%0.06815%0.148CC..  trans-69.4143.2174.6-57.2-178.1000111.6A105 L108 Y112 E154 A155 R249A105-L247 HydrophobicContact CB-CD2 3.83Å; L108-L247 HydrophobicContact CD1-CD2 3.93Å; Y112-L247 HydrophobicContact CE2-CB 4.02Å; Y112-L247 HydrophobicContact CE2-CD2 4.41Å; E154-L247 HydrophobicContact CB-CD1 4.16Å; E154-L247 HydrophobicContact CG-CD1 3.94Å; A155-L247 HydrophobicContact CB-CD1 3.75Å; L247-R249 HydrophobicContact CB-CB 4.16Å; L247-R249 PolarHBondContact O-N 2.86Å
248N98.7Very high97.9Very high4 Ų428 Ų282%0.02115%0.147CC..SBendtrans-80.26.9170.3-74.1-37.8000112.8S109 Y112 K201 T250 A251 A252 G322 L324S109-N248 PolarHBondContact OG-ND2 3.45Å; Y112-N248 HydrophobicContact CD2-CB 3.73Å; Y112-N248 HydrophobicContact CG-CB 4.05Å; K201-N248 WeakPolarHBondContact CE-OD1 3.48Å; N248-T250 PolarHBondContact O-N 3.34Å; N248-A251 WeakPolarHBondContact O-CA 3.11Å; N248-A251 WeakPolarHBondContact O-CB 3.26Å; N248-A251 PolarHBondContact O-N 3.47Å; N248-A252 PolarHBondContact O-N 3.47Å; N248-G322 PolarHBondContact ND2-O 2.96Å; N248-L324 HydrophobicContact CB-CD1 4.3Å; N248-L324 HydrophobicContact CB-CD2 3.97Å; N248-L324 HydrophobicContact CB-CG 3.93Å
249R98.1Very high98Very high63 Ų6328.3 Ų28.324%0.23815%0.152CC..Hα-helixtrans-52.4-48.2-176.5-167.6176.1-174.2-166.60.4113.8Y112 T117 E118 E154 A155 L247 A251 A252 G253Y112-R249 HydrophobicContact CD1-CB 4.18Å; Y112-R249 HydrophobicContact CD1-CG 4.44Å; Y112-R249 HydrophobicContact CE1-CB 3.66Å; Y112-R249 HydrophobicContact CE1-CG 3.74Å; Y112-R249 HydrophobicContact CE2-CB 4.04Å; T117-R249 PolarHBondContact O-NE 3.01Å; E118-R249 VanDerWaalsContact CD-NH2 3.28Å; E118-R249 IonicContact OE1-CZ 2.83Å; E118-R249 IonicContact OE1-NE 2.88Å; E118-R249 IonicContact OE1-NH2 3.86Å; E118-R249 PolarHBondContact OE1-NH2 2.86Å; E118-R249 IonicContact OE2-NH2 3.58Å; E118-R249 PolarHBondContact OE2-NH2 2.89Å; E154-R249 PolarHBondContact O-NH1 2.74Å; A155-R249 VanDerWaalsContact O-CZ 3.25Å; A155-R249 PolarHBondContact O-NH1 3.35Å; L247-R249 HydrophobicContact CB-CB 4.16Å; L247-R249 PolarHBondContact O-N 2.86Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 3.37Å; R249-A252 WeakPolarHBondContact O-CB 3.33Å; R249-A252 PolarHBondContact O-N 3.4Å; R249-G253 PolarHBondContact O-N 3.41Å; R249-G253 VanDerWaalsContact O-N 3.12Å
250T97.8Very high98.1Very high53 Ų5328 Ų2833%0.32515%0.152SC..Hα-helixtrans-63.9-41.1177.8-57.30000111.4N248 A252 G253 L254 Y345N248-T250 PolarHBondContact O-N 3.34Å; T250-A252 VanDerWaalsContact C-N 3.32Å; T250-A252 PolarHBondContact O-N 3.47Å; T250-G253 PolarHBondContact O-N 2.85Å; T250-L254 HydrophobicContact CG2-CD1 4.24Å; T250-L254 HydrophobicContact CG2-CG 4.49Å; T250-L254 WeakPolarHBondContact O-CG 3.41Å; T250-L254 PolarHBondContact O-N 2.95Å; T250-L254 VanDerWaalsContact O-N 3.08Å; T250-Y345 HydrophobicContact CG2-CD1 4.19Å; T250-Y345 HydrophobicContact CG2-CD2 4.37Å; T250-Y345 HydrophobicContact CG2-CG 3.8Å
251A98.3Very high98.2Very high4 Ų429.2 Ų29.23%0.03316%0.158CC..Hα-helixtrans-61.4-43177.100000110.8T200 N248 R249 L254 M255 L324 F336 I340T200-A251 HydrophobicContact CG2-CB 4.11Å; N248-A251 WeakPolarHBondContact O-CA 3.11Å; N248-A251 WeakPolarHBondContact O-CB 3.26Å; N248-A251 PolarHBondContact O-N 3.47Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 3.37Å; A251-L254 PolarHBondContact O-N 3.14Å; A251-M255 VanDerWaalsContact O-CG 3.32Å; A251-M255 WeakPolarHBondContact O-CG 3.42Å; A251-M255 PolarHBondContact O-N 3.19Å; A251-L324 HydrophobicContact CB-CD1 3.73Å; A251-L324 HydrophobicContact CB-CG 4.26Å; A251-F336 HydrophobicContact CB-CZ 4.49Å; A251-I340 HydrophobicContact CB-CD1 3.85Å
252A98.6Very high98.3Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-57.7-48.2175.800000113.1Y112 T117 N248 R249 T250 L254 M255Y112-A252 HydrophobicContact CD1-CB 4.03Å; Y112-A252 HydrophobicContact CG-CB 4.34Å; Y112-A252 WeakPolarHBondContact O-CB 3.32Å; T117-A252 HydrophobicContact CG2-CB 4.14Å; N248-A252 PolarHBondContact O-N 3.47Å; R249-A252 WeakPolarHBondContact O-CB 3.33Å; R249-A252 PolarHBondContact O-N 3.4Å; T250-A252 VanDerWaalsContact C-N 3.32Å; T250-A252 PolarHBondContact O-N 3.47Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 PolarHBondContact O-N 3.27Å; A252-M255 WeakPolarHBondContact O-CB 3.15Å; A252-M255 PolarHBondContact O-N 3.08Å; A252-M255 VanDerWaalsContact O-N 3.13Å
253G98.1Very high98.4Very high24 Ų2425.1 Ų25.125%0.24714%0.137CC..Hα-helixtrans-64.1-35.7177.600000113.2T117 R249 T250 M255 H256 T257T117-G253 VanDerWaalsContact CG2-CA 3.47Å; R249-G253 PolarHBondContact O-N 3.41Å; R249-G253 VanDerWaalsContact O-N 3.12Å; T250-G253 PolarHBondContact O-N 2.85Å; G253-M255 VanDerWaalsContact C-N 3.31Å; G253-M255 PolarHBondContact O-N 3.35Å; G253-H256 PolarHBondContact O-N 3.21Å; G253-T257 PolarHBondContact O-N 3.47Å; G253-T257 PolarHBondContact O-OG1 3.2Å
254L98.4Very high98.5Very high3 Ų324.5 Ų24.52%0.01613%0.134CC..Hα-helixtrans-72.1-23.7176.2-67.7-177000112.9T250 A251 A252 H256 T257 F258 F336 E339 I340 Y345T250-L254 HydrophobicContact CG2-CD1 4.24Å; T250-L254 HydrophobicContact CG2-CG 4.49Å; T250-L254 WeakPolarHBondContact O-CG 3.41Å; T250-L254 PolarHBondContact O-N 2.95Å; T250-L254 VanDerWaalsContact O-N 3.08Å; A251-L254 PolarHBondContact O-N 3.14Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 PolarHBondContact O-N 3.27Å; L254-H256 VanDerWaalsContact C-N 3.32Å; L254-H256 PolarHBondContact O-N 2.7Å; L254-T257 PolarHBondContact O-N 3.46Å; L254-F258 HydrophobicContact CB-CD2 4.22Å; L254-F258 HydrophobicContact CD2-CD2 4.43Å; L254-F258 HydrophobicContact CD2-CE2 4.01Å; L254-F258 WeakPolarHBondContact O-CD2 3.33Å; L254-F258 PolarHBondContact O-N 3.18Å; L254-F336 HydrophobicContact CB-CD2 3.79Å; L254-F336 HydrophobicContact CB-CE2 3.44Å; L254-F336 VanDerWaalsContact CB-CE2 3.44Å; L254-F336 HydrophobicContact CB-CZ 4.3Å; L254-E339 HydrophobicContact CD1-CB 4.35Å; L254-E339 HydrophobicContact CD1-CG 4.31Å; L254-E339 HydrophobicContact CD2-CG 3.81Å; L254-I340 HydrophobicContact CD1-CB 3.6Å; L254-I340 HydrophobicContact CD1-CG1 4.01Å; L254-Y345 HydrophobicContact CD2-CE2 4.25Å
255M98.8Very high98.5Very high2 Ų224.5 Ų24.51%0.0113%0.134CC..Hα-helixtrans-60-43.2173.2-70.4-158.9-61.200111.6Y112 I186 A251 A252 G253 N259 A260 A263 L324 I326 F336Y112-M255 WeakPolarHBondContact O-CE 3.32Å; I186-M255 HydrophobicContact CD1-CB 3.72Å; A251-M255 VanDerWaalsContact O-CG 3.32Å; A251-M255 WeakPolarHBondContact O-CG 3.42Å; A251-M255 PolarHBondContact O-N 3.19Å; A252-M255 WeakPolarHBondContact O-CB 3.15Å; A252-M255 PolarHBondContact O-N 3.08Å; A252-M255 VanDerWaalsContact O-N 3.13Å; G253-M255 VanDerWaalsContact C-N 3.31Å; G253-M255 PolarHBondContact O-N 3.35Å; M255-N259 PolarHBondContact O-N 2.95Å; M255-A260 HydrophobicContact CB-CB 3.62Å; M255-A260 HydrophobicContact CG-CB 3.91Å; M255-A260 PolarHBondContact O-N 3.29Å; M255-A260 HydrophobicContact SD-CB 4.16Å; M255-A263 HydrophobicContact CE-CB 4.08Å; M255-A263 HydrophobicContact SD-CB 3.42Å; M255-A263 WeakPolarHBondContact SD-CB 3.48Å; M255-L324 HydrophobicContact CE-CD1 4.01Å; M255-L324 HydrophobicContact SD-CD1 4.15Å; M255-I326 HydrophobicContact CG-CD1 3.87Å; M255-I326 HydrophobicContact CG-CG1 4.4Å; M255-I326 HydrophobicContact CG-CG2 4.05Å; M255-I326 HydrophobicContact SD-CB 4.43Å; M255-I326 HydrophobicContact SD-CD1 3.94Å; M255-I326 HydrophobicContact SD-CG1 3.85Å; M255-I326 HydrophobicContact SD-CG2 3.74Å; M255-F336 HydrophobicContact CG-CE2 4.47Å
256H98.6Very high98.5Very high71 Ų7124.4 Ų24.433%0.32913%0.132SC..Hα-helixtrans-62.1-47173.2-74.5-78.4000111.8G115 N183 E184 G253 L254 F258 N259G115-H256 PolarHBondContact O-CD2 3.49Å; G115-H256 PolarHBondContact O-NE2 2.92Å; N183-H256 PolarHBondContact O-CE1 3.46Å; E184-H256 PolarHBondContact O-NE2 3.29Å; G253-H256 PolarHBondContact O-N 3.21Å; L254-H256 VanDerWaalsContact C-N 3.32Å; L254-H256 PolarHBondContact O-N 2.7Å; H256-F258 VanDerWaalsContact C-N 3.3Å; H256-F258 PolarHBondContact O-N 3.33Å; H256-N259 PolarHBondContact O-N 2.89Å
257T98.3Very high98.4Very high89 Ų8922.7 Ų22.755%0.54613%0.126SC..Hα-helixtrans-62.4-37.2-176.5-57.50000112.7G253 L254G253-T257 PolarHBondContact O-N 3.47Å; G253-T257 PolarHBondContact O-OG1 3.2Å; L254-T257 PolarHBondContact O-N 3.46Å
258F98.6Very high98.2Very high9 Ų922.9 Ų22.94%0.03913%0.131CC..THydrogen-bonded Turntrans-106.114.4-175.3-67.7-70.6000113.6L254 H256 L328 Q332 R335 F336 E339L254-F258 HydrophobicContact CB-CD2 4.22Å; L254-F258 HydrophobicContact CD2-CD2 4.43Å; L254-F258 HydrophobicContact CD2-CE2 4.01Å; L254-F258 WeakPolarHBondContact O-CD2 3.33Å; L254-F258 PolarHBondContact O-N 3.18Å; H256-F258 VanDerWaalsContact C-N 3.3Å; H256-F258 PolarHBondContact O-N 3.33Å; F258-L328 HydrophobicContact CB-CD2 3.96Å; F258-L328 VanDerWaalsContact O-CD2 3.31Å; F258-L328 WeakPolarHBondContact O-CD2 3.39Å; F258-Q332 HydrophobicContact CB-CB 4.22Å; F258-Q332 HydrophobicContact CD1-CB 4.4Å; F258-Q332 WeakPolarHBondContact O-CB 3.2Å; F258-R335 HydrophobicContact CD1-CB 4.03Å; F258-R335 HydrophobicContact CE1-CB 3.44Å; F258-R335 VanDerWaalsContact CE1-CB 3.44Å; F258-R335 HydrophobicContact CZ-CB 4.1Å; F258-F336 HydrophobicContact CB-CB 4.15Å; F258-F336 HydrophobicContact CB-CD2 4.15Å; F258-F336 HydrophobicContact CD2-CB 3.84Å; F258-F336 AromaticContact CD2-CD2 3.77Å; F258-F336 HydrophobicContact CD2-CD2 3.77Å; F258-F336 HydrophobicContact CD2-CG 4.24Å; F258-F336 HydrophobicContact CE2-CB 4.38Å; F258-F336 HydrophobicContact CG-CB 3.93Å; F258-F336 HydrophobicContact CG-CD2 4.29Å; F258-E339 HydrophobicContact CE2-CB 3.71Å; F258-E339 HydrophobicContact CE2-CG 3.97Å; F258-E339 HydrophobicContact CZ-CB 3.81Å; F258-E339 HydrophobicContact CZ-CG 4.14Å
259N98.3Very high98.1Very high99 Ų9924.9 Ų24.953%0.52914%0.14SC..THydrogen-bonded Turntrans58.649.9171.7-156.478.8000113M255 H256 H261 P329M255-N259 PolarHBondContact O-N 2.95Å; H256-N259 PolarHBondContact O-N 2.89Å; N259-H261 PolarHBondContact O-CD2 3.36Å; N259-P329 WeakPolarHBondContact O-CD 3.44Å
260A98.8Very high98.1Very high9 Ų921.9 Ų21.97%0.07413%0.129CC..  trans-58.3142173.400000110.9M255 I326 L328M255-A260 HydrophobicContact CB-CB 3.62Å; M255-A260 HydrophobicContact CG-CB 3.91Å; M255-A260 PolarHBondContact O-N 3.29Å; M255-A260 HydrophobicContact SD-CB 4.16Å; A260-I326 HydrophobicContact CB-CG2 3.6Å; A260-L328 HydrophobicContact CB-CD2 3.95Å; A260-L328 HydrophobicContact CB-CG 4.41Å
261H98.8Very high98.1Very high25 Ų2519.4 Ų19.412%0.11611%0.114CC..  trans-98.6-29.1-176.7-71165.7000113.3N190 D195 N259 C327N190-H261 WeakPolarHBondContact CA-O 3.14Å; N190-H261 HydrophobicContact CB-CB 4.42Å; N190-H261 WeakPolarHBondContact CB-O 3.2Å; N190-H261 PolarHBondContact N-O 2.85Å; N190-H261 WeakPolarHBondContact O-CB 3.33Å; D195-H261 VanDerWaalsContact CG-ND1 3.29Å; D195-H261 IonicContact OD1-CE1 3.54Å; D195-H261 PolarHBondContact OD1-CE1 3.18Å; D195-H261 IonicContact OD1-ND1 3.33Å; D195-H261 PolarHBondContact OD1-ND1 3.08Å; D195-H261 VanDerWaalsContact OD1-ND1 3.15Å; D195-H261 IonicContact OD2-CE1 3.18Å; D195-H261 IonicContact OD2-CG 3.79Å; D195-H261 IonicContact OD2-ND1 2.85Å; D195-H261 PolarHBondContact OD2-ND1 3.19Å; N259-H261 PolarHBondContact O-CD2 3.36Å; H261-C327 HydrophobicContact CB-CB 4.4Å; H261-C327 PolarHBondContact N-O 3.08Å
262A98.8Very high98.1Very high1 Ų120.7 Ų20.71%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-163.9151.7176.900000109.2A191 L278 C327A191-A262 HydrophobicContact CB-CB 4.42Å; A262-L278 HydrophobicContact CB-CD1 4.08Å; A262-C327 HydrophobicContact CB-CB 4.18Å; A262-C327 PolarHBondContact O-N 3.37Å
263A98.9Very high98.1Very high3 Ų321 Ų213%0.02512%0.123CC..EExtended strand (participates in β ladder)trans-150160.717000000111.7A113 P188 M255 L278 L325 I326A113-A263 WeakPolarHBondContact O-CB 3.49Å; P188-A263 WeakPolarHBondContact CB-O 3.11Å; M255-A263 HydrophobicContact CE-CB 4.08Å; M255-A263 HydrophobicContact SD-CB 3.42Å; M255-A263 WeakPolarHBondContact SD-CB 3.48Å; A263-L278 WeakPolarHBondContact O-CD1 3.41Å; A263-L325 VanDerWaalsContact CA-O 3.22Å; A263-L325 WeakPolarHBondContact CA-O 3.12Å; A263-I326 HydrophobicContact CB-CB 4.41Å; A263-I326 HydrophobicContact CB-CG1 4.14Å; A263-I326 HydrophobicContact CB-CG2 4.33Å
264T98.9Very high98.1Very high0 Ų020.4 Ų20.40%011%0.114CC..EExtended strand (participates in β ladder)trans-142.9165.6166.2-171.60000107.1D69 I266 H274 L278 L324 L325D69-T264 PolarHBondContact OD1-OG1 3.21Å; D69-T264 VanDerWaalsContact OD2-CA 3.28Å; D69-T264 WeakPolarHBondContact OD2-CA 3.47Å; D69-T264 WeakPolarHBondContact OD2-CB 3.32Å; D69-T264 PolarHBondContact OD2-OG1 3.16Å; T264-I266 HydrophobicContact CG2-CD1 4.43Å; T264-H274 HydrophobicContact CG2-CB 4.11Å; T264-L278 HydrophobicContact CG2-CB 3.91Å; T264-L278 HydrophobicContact CG2-CD2 3.94Å; T264-L278 HydrophobicContact CG2-CG 4.4Å; T264-L324 CarbonylContact O-C 3.44Å; T264-L324 WeakPolarHBondContact O-CA 3.37Å; T264-L325 HydrophobicContact CG2-CB 4.16Å; T264-L325 HydrophobicContact CG2-CD2 4.39Å; T264-L325 PolarHBondContact N-O 3.25Å; T264-L325 VanDerWaalsContact N-O 3.11Å; T264-L325 PolarHBondContact O-N 3.47Å
265D98.6Very high98.1Very high0 Ų020.2 Ų20.20%011%0.113CC..EExtended strand (participates in β ladder)trans-98.3161.9168.283-19000111.5S109 A113 T267 H274 G323 L324S109-D265 WeakPolarHBondContact CB-OD2 3.32Å; S109-D265 WeakPolarHBondContact OG-CB 3.28Å; S109-D265 PolarHBondContact OG-OD2 2.95Å; A113-D265 HydrophobicContact CB-CB 4.37Å; D265-T267 WeakPolarHBondContact OD2-CG2 3.11Å; D265-H274 VanDerWaalsContact O-CG 3.23Å; D265-H274 PolarHBondContact O-ND1 2.93Å; D265-G323 WeakPolarHBondContact CA-O 3.47Å; D265-L324 HydrophobicContact CB-CD2 3.8Å
266I98.8Very high98.1Very high1 Ų122.8 Ų22.81%0.00513%0.125CC..  trans-105104.3-179.9-52.6-53.3000109.3L199 L203 T264 I271 H274 E319 G322 G323 L325L199-I266 HydrophobicContact CD1-CG1 3.7Å; L203-I266 HydrophobicContact CD2-CG2 4.07Å; T264-I266 HydrophobicContact CG2-CD1 4.43Å; I266-I271 HydrophobicContact CD1-CD1 3.52Å; I266-I271 HydrophobicContact CG1-CD1 3.75Å; I266-I271 HydrophobicContact CG2-CB 4.16Å; I266-H274 HydrophobicContact CD1-CB 3.62Å; I266-E319 HydrophobicContact CG2-CB 4.18Å; I266-E319 HydrophobicContact CG2-CG 3.76Å; I266-E319 WeakPolarHBondContact O-CB 3.34Å; I266-G322 WeakPolarHBondContact O-CA 3.43Å; I266-G322 PolarHBondContact O-N 3Å; I266-G323 PolarHBondContact N-O 3.25Å; I266-L325 HydrophobicContact CD1-CB 3.73Å; I266-L325 HydrophobicContact CD1-CD2 4.13Å; I266-L325 HydrophobicContact CG1-CB 4.18Å
267T96.6Very high98.1Very high3 Ų320.4 Ų20.42%0.01812%0.115CC..  trans-125.6-127.3178.864.10000111.6D265 F269 G270 H274 E319D265-T267 WeakPolarHBondContact OD2-CG2 3.11Å; T267-F269 VanDerWaalsContact C-N 3.28Å; T267-F269 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact O-N 3.13Å; T267-G270 PolarHBondContact O-N 3.12Å; T267-G270 VanDerWaalsContact O-N 3.13Å; T267-H274 PolarHBondContact N-CD2 3.39Å; T267-H274 PolarHBondContact N-NE2 3.17Å; T267-H274 VanDerWaalsContact N-NE2 3.18Å; T267-H274 PolarHBondContact OG1-CE1 3.44Å; T267-H274 PolarHBondContact OG1-NE2 2.99Å; T267-E319 CarbonylContact C-O 3.47Å; T267-E319 WeakPolarHBondContact CA-O 3.33Å; T267-E319 PolarHBondContact O-N 2.86Å; T267-E319 VanDerWaalsContact O-O 3.11Å
268G94.4Very high98.1Very high17 Ų1716.1 Ų16.118%0.1759%0.089CC..THydrogen-bonded Turntrans-69.6-15.6-160.400000115.8E319G268-E319 PolarHBondContact N-O 3.24Å
269F95.3Very high98.1Very high46 Ų4615.7 Ų15.720%0.2029%0.087CC..THydrogen-bonded Turntrans-93.7-0.3177.6-57.7-45.8000113.8K32 Q35 L38 T267 H274K32-F269 HydrophobicContact CB-CE1 4.13Å; Q35-F269 HydrophobicContact CB-CD1 4.22Å; Q35-F269 HydrophobicContact CB-CE1 4.01Å; Q35-F269 HydrophobicContact CB-CE2 4.37Å; Q35-F269 HydrophobicContact CB-CG 4.5Å; Q35-F269 HydrophobicContact CB-CZ 4.08Å; Q35-F269 HydrophobicContact CG-CE2 4.3Å; Q35-F269 HydrophobicContact CG-CZ 4.4Å; L38-F269 HydrophobicContact CD2-CZ 4.31Å; T267-F269 VanDerWaalsContact C-N 3.28Å; T267-F269 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact O-N 3.13Å; F269-H274 AromaticContact CD2-NE2 3.98Å; F269-H274 PolarHBondContact N-NE2 2.9Å
270G97.8Very high98Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans71.3168.6-176.600000113.6T267 L272 G273 H274 G315 C317T267-G270 PolarHBondContact O-N 3.12Å; T267-G270 VanDerWaalsContact O-N 3.13Å; G270-L272 VanDerWaalsContact C-N 3.26Å; G270-L272 PolarHBondContact O-N 3.25Å; G270-G273 PolarHBondContact O-N 3.36Å; G270-G273 VanDerWaalsContact O-N 3.16Å; G270-H274 PolarHBondContact O-CD2 3.29Å; G270-H274 VanDerWaalsContact O-CD2 3.32Å; G270-H274 PolarHBondContact O-N 3.33Å; G270-H274 VanDerWaalsContact O-N 3.11Å; G270-G315 CarbonylContact C-O 3.58Å; G270-C317 WeakPolarHBondContact CA-O 3.24Å
271I98.8Very high97.9Very high2 Ų219.6 Ų19.61%0.0110%0.095CC..Hα-helixtrans-54.6-38.9-173.7179.962.5000113.2L199 L203 I266 A275 I290 L293 G315 L325 I354 I366L199-I271 HydrophobicContact CD1-CD1 4.38Å; L199-I271 HydrophobicContact CD2-CD1 4.37Å; L203-I271 HydrophobicContact CD1-CB 4.03Å; L203-I271 HydrophobicContact CD1-CG1 4.33Å; L203-I271 HydrophobicContact CD1-CG2 3.8Å; L203-I271 HydrophobicContact CD2-CB 4.02Å; L203-I271 HydrophobicContact CD2-CG2 4.5Å; I266-I271 HydrophobicContact CD1-CD1 3.52Å; I266-I271 HydrophobicContact CG1-CD1 3.75Å; I266-I271 HydrophobicContact CG2-CB 4.16Å; I271-A275 WeakPolarHBondContact O-CB 3.41Å; I271-A275 PolarHBondContact O-N 3.42Å; I271-I290 HydrophobicContact CD1-CD1 4.31Å; I271-I290 HydrophobicContact CG1-CD1 3.85Å; I271-L293 HydrophobicContact CG2-CD2 4.25Å; I271-G315 PolarHBondContact N-O 3.43Å; I271-G315 VanDerWaalsContact N-O 3.17Å; I271-L325 HydrophobicContact CD1-CD1 4.4Å; I271-L325 HydrophobicContact CD1-CD2 4.11Å; I271-I354 HydrophobicContact CD1-CD1 4.14Å; I271-I366 HydrophobicContact CG2-CD1 4.24Å
272L98.6Very high97.9Very high30 Ų3018.6 Ų18.616%0.1579%0.091CC..Hα-helixtrans-73.1-43-179.4-178.660.2000111.5G270 A275 Q276 G315 I366G270-L272 VanDerWaalsContact C-N 3.26Å; G270-L272 PolarHBondContact O-N 3.25Å; L272-A275 PolarHBondContact O-N 3.02Å; L272-Q276 HydrophobicContact CD1-CG 4.17Å; L272-Q276 HydrophobicContact CG-CG 4.43Å; L272-Q276 WeakPolarHBondContact O-CB 3.35Å; L272-Q276 WeakPolarHBondContact O-CG 3.35Å; L272-Q276 PolarHBondContact O-N 3.27Å; L272-G315 WeakPolarHBondContact CB-O 3.32Å; L272-G315 PolarHBondContact N-O 2.93Å; L272-I366 HydrophobicContact CB-CD1 4.04Å; L272-I366 HydrophobicContact CD1-CG1 4.33Å
273G97.8Very high97.8Very high8 Ų825.4 Ų25.48%0.08212%0.116CC..Hα-helixtrans-61.5-48.4-179.800000111.9G270 Q276 T277G270-G273 PolarHBondContact O-N 3.36Å; G270-G273 VanDerWaalsContact O-N 3.16Å; G273-Q276 PolarHBondContact O-N 3.14Å; G273-T277 PolarHBondContact O-N 2.9Å; G273-T277 PolarHBondContact O-OG1 3.45Å; G273-T277 VanDerWaalsContact O-OG1 3.08Å
274H98.5Very high97.7Very high10 Ų1027.2 Ų27.25%0.04613%0.129CC..Hα-helixtrans-66.9-40.6177.1-73.8-88.5000112.4T264 D265 I266 T267 F269 G270 Q276 T277 L278T264-H274 HydrophobicContact CG2-CB 4.11Å; D265-H274 VanDerWaalsContact O-CG 3.23Å; D265-H274 PolarHBondContact O-ND1 2.93Å; I266-H274 HydrophobicContact CD1-CB 3.62Å; T267-H274 PolarHBondContact N-CD2 3.39Å; T267-H274 PolarHBondContact N-NE2 3.17Å; T267-H274 VanDerWaalsContact N-NE2 3.18Å; T267-H274 PolarHBondContact OG1-CE1 3.44Å; T267-H274 PolarHBondContact OG1-NE2 2.99Å; F269-H274 AromaticContact CD2-NE2 3.98Å; F269-H274 PolarHBondContact N-NE2 2.9Å; G270-H274 PolarHBondContact O-CD2 3.29Å; G270-H274 VanDerWaalsContact O-CD2 3.32Å; G270-H274 PolarHBondContact O-N 3.33Å; G270-H274 VanDerWaalsContact O-N 3.11Å; H274-Q276 VanDerWaalsContact C-N 3.28Å; H274-Q276 PolarHBondContact O-N 3.42Å; H274-T277 WeakPolarHBondContact O-CB 3.25Å; H274-T277 PolarHBondContact O-N 3.44Å; H274-L278 PolarHBondContact O-N 3.46Å
275A98.8Very high97.6Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-60.8-37.3173.900000112.4I271 L272 A279 F288 I290 L325 A364I271-A275 WeakPolarHBondContact O-CB 3.41Å; I271-A275 PolarHBondContact O-N 3.42Å; L272-A275 PolarHBondContact O-N 3.02Å; A275-A279 VanDerWaalsContact O-CB 3.3Å; A275-A279 WeakPolarHBondContact O-CB 3.37Å; A275-A279 PolarHBondContact O-N 3.38Å; A275-F288 WeakPolarHBondContact O-CD2 3.42Å; A275-I290 HydrophobicContact CB-CD1 4.07Å; A275-L325 HydrophobicContact CB-CD2 3.69Å; A275-A364 VanDerWaalsContact C-CB 3.48Å; A275-A364 HydrophobicContact CB-CB 3.77Å; A275-A364 WeakPolarHBondContact O-CB 3.03Å
276Q98.6Very high97.6Very high56 Ų5633.3 Ų33.326%0.26216%0.157SC..Hα-helixtrans-67.2-41175.5-74.8173.5-13.300111.9L272 G273 H274 A279 R280 A364L272-Q276 HydrophobicContact CD1-CG 4.17Å; L272-Q276 HydrophobicContact CG-CG 4.43Å; L272-Q276 WeakPolarHBondContact O-CB 3.35Å; L272-Q276 WeakPolarHBondContact O-CG 3.35Å; L272-Q276 PolarHBondContact O-N 3.27Å; G273-Q276 PolarHBondContact O-N 3.14Å; H274-Q276 VanDerWaalsContact C-N 3.28Å; H274-Q276 PolarHBondContact O-N 3.42Å; Q276-A279 PolarHBondContact O-N 2.96Å; Q276-R280 VanDerWaalsContact O-CG 3.28Å; Q276-R280 WeakPolarHBondContact O-CG 3.46Å; Q276-R280 PolarHBondContact O-N 3.07Å; Q276-A364 HydrophobicContact CB-CB 4.43Å; Q276-A364 HydrophobicContact CG-CB 3.85Å
277T97.6Very high97.6Very high20 Ų2033.5 Ų33.512%0.12316%0.158CC..Hα-helixtrans-59.2-51.3173.6-54.40000110.8Q35 G67 M68 G273 H274 A279 R280 Q281Q35-T277 PolarHBondContact NE2-OG1 2.75Å; G67-T277 VanDerWaalsContact O-CG2 3.27Å; G67-T277 WeakPolarHBondContact O-CG2 3.34Å; M68-T277 HydrophobicContact SD-CG2 3.96Å; G273-T277 PolarHBondContact O-N 2.9Å; G273-T277 PolarHBondContact O-OG1 3.45Å; G273-T277 VanDerWaalsContact O-OG1 3.08Å; H274-T277 WeakPolarHBondContact O-CB 3.25Å; H274-T277 PolarHBondContact O-N 3.44Å; T277-A279 PolarHBondContact O-N 3.15Å; T277-R280 PolarHBondContact O-N 3.29Å; T277-Q281 PolarHBondContact O-N 2.85Å
278L98.6Very high97.8Very high0 Ų033.3 Ų33.30%016%0.158CC..Hα-helixtrans-61.7-42.8179.1-174.364.3000111.6M68 P188 A262 A263 T264 H274 R280 Q281 Q282 F288M68-L278 HydrophobicContact CE-CD1 3.88Å; P188-L278 HydrophobicContact CB-CD1 3.98Å; P188-L278 WeakPolarHBondContact O-CD1 3.46Å; A262-L278 HydrophobicContact CB-CD1 4.08Å; A263-L278 WeakPolarHBondContact O-CD1 3.41Å; T264-L278 HydrophobicContact CG2-CB 3.91Å; T264-L278 HydrophobicContact CG2-CD2 3.94Å; T264-L278 HydrophobicContact CG2-CG 4.4Å; H274-L278 PolarHBondContact O-N 3.46Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3Å; L278-Q281 WeakPolarHBondContact O-CB 3.44Å; L278-Q281 PolarHBondContact O-N 2.9Å; L278-Q281 VanDerWaalsContact O-N 3.16Å; L278-Q282 WeakPolarHBondContact O-CG 3.48Å; L278-Q282 PolarHBondContact O-NE2 3.44Å; L278-F288 HydrophobicContact CB-CE2 3.9Å; L278-F288 HydrophobicContact CD2-CE2 3.83Å; L278-F288 HydrophobicContact CD2-CZ 4.37Å; L278-F288 HydrophobicContact CG-CE2 3.71Å; L278-F288 HydrophobicContact CG-CZ 4.17Å
279A98.6Very high98Very high0 Ų032.6 Ų32.60%015%0.15CC..Hα-helixtrans-60.6-39.3177.800000112.6A275 Q276 T277 Q281 Q282 F288 R362 A364A275-A279 VanDerWaalsContact O-CB 3.3Å; A275-A279 WeakPolarHBondContact O-CB 3.37Å; A275-A279 PolarHBondContact O-N 3.38Å; Q276-A279 PolarHBondContact O-N 2.96Å; T277-A279 PolarHBondContact O-N 3.15Å; A279-Q281 VanDerWaalsContact C-N 3.26Å; A279-Q281 PolarHBondContact O-N 3.18Å; A279-Q282 WeakPolarHBondContact O-CG 3.37Å; A279-Q282 PolarHBondContact O-N 3.38Å; A279-F288 HydrophobicContact CB-CD1 4.48Å; A279-F288 HydrophobicContact CB-CD2 3.73Å; A279-F288 HydrophobicContact CB-CE2 3.83Å; A279-F288 HydrophobicContact CB-CG 4.07Å; A279-F288 HydrophobicContact CB-CZ 4.25Å; A279-R362 WeakPolarHBondContact O-CA 3.44Å; A279-R362 VanDerWaalsContact O-CB 3.3Å; A279-R362 WeakPolarHBondContact O-CB 2.94Å; A279-A364 HydrophobicContact CB-CB 4.18Å
280R97.6Very high98.1Very high125 Ų12530.4 Ų30.447%0.47214%0.14SC..Hα-helixtrans-63.9-31177.2-74.2175.4-167.3130.4-1112.9Q276 T277 L278 Q282Q276-R280 VanDerWaalsContact O-CG 3.28Å; Q276-R280 WeakPolarHBondContact O-CG 3.46Å; Q276-R280 PolarHBondContact O-N 3.07Å; T277-R280 PolarHBondContact O-N 3.29Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 2.78Å
281Q96.9Very high98.2Very high65 Ų6533.7 Ų33.730%0.30416%0.155SC..Hα-helixtrans-76-15.8-178.1-167.658.931.800113.7M68 P188 D189 T277 L278 A279 R283M68-Q281 HydrophobicContact CG-CB 4.46Å; M68-Q281 HydrophobicContact CG-CG 3.81Å; M68-Q281 HydrophobicContact SD-CB 3.68Å; M68-Q281 HydrophobicContact SD-CG 3.68Å; P188-Q281 HydrophobicContact CG-CG 4.44Å; D189-Q281 HydrophobicContact CB-CG 4.34Å; D189-Q281 WeakPolarHBondContact CB-O 3.47Å; T277-Q281 PolarHBondContact O-N 2.85Å; L278-Q281 WeakPolarHBondContact O-CB 3.44Å; L278-Q281 PolarHBondContact O-N 2.9Å; L278-Q281 VanDerWaalsContact O-N 3.16Å; A279-Q281 VanDerWaalsContact C-N 3.26Å; A279-Q281 PolarHBondContact O-N 3.18Å; Q281-R283 PolarHBondContact O-N 2.65Å
282Q98.1Very high98.2Very high3 Ų334.9 Ų34.91%0.01416%0.161CC..  trans-67.3136-172.7-56.9-49.7-57.900112.4P188 D189 A191 L278 A279 R280 V286 F288 R362P188-Q282 PolarHBondContact O-NE2 3.32Å; D189-Q282 PolarHBondContact O-OE1 2.97Å; A191-Q282 HydrophobicContact CB-CG 4.18Å; L278-Q282 WeakPolarHBondContact O-CG 3.48Å; L278-Q282 PolarHBondContact O-NE2 3.44Å; A279-Q282 WeakPolarHBondContact O-CG 3.37Å; A279-Q282 PolarHBondContact O-N 3.38Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 2.78Å; Q282-V286 HydrophobicContact CB-CG2 3.59Å; Q282-V286 HydrophobicContact CG-CG2 3.67Å; Q282-F288 HydrophobicContact CG-CE1 4.2Å; Q282-F288 HydrophobicContact CG-CZ 3.82Å; Q282-R362 VanDerWaalsContact O-CD 3.3Å; Q282-R362 WeakPolarHBondContact O-CD 3.4Å; Q282-R362 PolarHBondContact O-NE 2.86Å
283R96.3Very high98.2Very high145 Ų14533.4 Ų33.455%0.54715%0.154SC..SBendtrans-66.3-43173.7-66.4-172.3-68.3-128.86.4111.3D189 N190 Q281 R362D189-R283 HydrophobicContact CB-CG 4.13Å; D189-R283 PolarHBondContact O-N 3.35Å; D189-R283 IonicContact OD1-CZ 3.83Å; D189-R283 VanDerWaalsContact OD1-CZ 3.26Å; D189-R283 IonicContact OD1-NE 2.75Å; D189-R283 IonicContact OD1-NH1 3.78Å; D189-R283 PolarHBondContact OD1-NH1 3.26Å; D189-R283 IonicContact OD1-NH2 3.01Å; D189-R283 WeakPolarHBondContact OD2-CD 3.36Å; D189-R283 IonicContact OD2-CZ 3.86Å; D189-R283 IonicContact OD2-NE 3.34Å; D189-R283 IonicContact OD2-NH1 3.35Å; D189-R283 PolarHBondContact OD2-NH1 2.97Å; N190-R283 PolarHBondContact OD1-NH2 3.5Å; Q281-R283 PolarHBondContact O-N 2.65Å; R283-R362 PolarHBondContact O-NH2 2.95Å
284S96.6Very high98.2Very high41 Ų4133 Ų3329%0.28715%0.15SC..SBendtrans-70.1152.6178-59.80000112.4A191 V286A191-S284 WeakPolarHBondContact O-CB 3.24Å; A191-S284 PolarHBondContact O-OG 3.47Å; S284-V286 VanDerWaalsContact C-N 3.26Å; S284-V286 PolarHBondContact O-N 2.84Å
285E98Very high98.2Very high127 Ų12732.6 Ų32.659%0.59315%0.148SC*.SBendtrans-75.777.6169.7-70.1-168.1148.700110.5G360E285-G360 CarbonylContact C-O 3.42Å; E285-G360 WeakPolarHBondContact CA-O 3.25Å; E285-G360 WeakPolarHBondContact CB-O 3.5Å; E285-G360 PolarHBondContact O-N 2.95Å; E285-G360 VanDerWaalsContact O-O 3.14Å
286V98.6Very high98.2Very high0 Ų032.8 Ų32.80%015%0.149CC..EExtended strand (participates in β ladder)trans-121.6155.3-178.4-66.10000112.3A191 P193 Q282 S284 F288 V357 E358 R362A191-V286 HydrophobicContact CB-CG2 4.45Å; P193-V286 HydrophobicContact CG-CG1 3.85Å; Q282-V286 HydrophobicContact CB-CG2 3.59Å; Q282-V286 HydrophobicContact CG-CG2 3.67Å; S284-V286 VanDerWaalsContact C-N 3.26Å; S284-V286 PolarHBondContact O-N 2.84Å; V286-F288 HydrophobicContact CG2-CE1 4.17Å; V286-V357 HydrophobicContact CB-CG1 3.54Å; V286-V357 HydrophobicContact CG1-CG1 3.79Å; V286-V357 HydrophobicContact CG2-CG1 4.02Å; V286-E358 CarbonylContact C-O 3.56Å; V286-E358 WeakPolarHBondContact CA-O 3.43Å; V286-E358 WeakPolarHBondContact CB-O 3.4Å; V286-R362 WeakPolarHBondContact O-CA 3.18Å; V286-R362 PolarHBondContact O-N 2.96Å
287S98.8Very high98.2Very high5 Ų531.2 Ų31.24%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-131.8151.7170-760000110.7V357 E358 G360 N361 T363S287-V357 CarbonylContact O-C 3.57Å; S287-V357 WeakPolarHBondContact O-CA 3.44Å; S287-E358 PolarHBondContact N-O 3.22Å; S287-E358 PolarHBondContact O-N 3.3Å; S287-G360 WeakPolarHBondContact OG-CA 3.34Å; S287-N361 PolarHBondContact OG-N 3.41Å; S287-N361 PolarHBondContact OG-OD1 3.07Å; S287-T363 CarbonylContact C-O 3.52Å; S287-T363 WeakPolarHBondContact CA-O 3.47Å; S287-T363 VanDerWaalsContact CB-O 3.23Å; S287-T363 WeakPolarHBondContact CB-O 3.48Å; S287-T363 PolarHBondContact OG-N 3.37Å; S287-T363 PolarHBondContact OG-O 3.2Å; S287-T363 PolarHBondContact OG-OG1 3.32Å
288F98.9Very high98.2Very high0 Ų034.5 Ų34.50%016%0.158CC..EExtended strand (participates in β ladder)trans-103.3131.5-177.4-62.3-8.9000110.7A191 L197 A275 L278 A279 Q282 V286 V357 T363 A364 R365A191-F288 HydrophobicContact CB-CE1 4.17Å; A191-F288 HydrophobicContact CB-CZ 4.34Å; L197-F288 HydrophobicContact CD1-CB 3.88Å; L197-F288 HydrophobicContact CD1-CG 4.35Å; L197-F288 HydrophobicContact CD2-CD1 4.35Å; L197-F288 HydrophobicContact CD2-CD2 4.28Å; L197-F288 HydrophobicContact CD2-CG 4.14Å; A275-F288 WeakPolarHBondContact O-CD2 3.42Å; L278-F288 HydrophobicContact CB-CE2 3.9Å; L278-F288 HydrophobicContact CD2-CE2 3.83Å; L278-F288 HydrophobicContact CD2-CZ 4.37Å; L278-F288 HydrophobicContact CG-CE2 3.71Å; L278-F288 HydrophobicContact CG-CZ 4.17Å; A279-F288 HydrophobicContact CB-CD1 4.48Å; A279-F288 HydrophobicContact CB-CD2 3.73Å; A279-F288 HydrophobicContact CB-CE2 3.83Å; A279-F288 HydrophobicContact CB-CG 4.07Å; A279-F288 HydrophobicContact CB-CZ 4.25Å; Q282-F288 HydrophobicContact CG-CE1 4.2Å; Q282-F288 HydrophobicContact CG-CZ 3.82Å; V286-F288 HydrophobicContact CG2-CE1 4.17Å; F288-V357 HydrophobicContact CD1-CB 4.27Å; F288-V357 HydrophobicContact CD1-CG1 3.97Å; F288-V357 HydrophobicContact CD1-CG2 3.75Å; F288-V357 HydrophobicContact CE1-CB 4.41Å; F288-V357 HydrophobicContact CE1-CG1 3.87Å; F288-V357 HydrophobicContact CE1-CG2 3.77Å; F288-T363 PolarHBondContact N-O 2.98Å; F288-A364 HydrophobicContact CB-CB 3.82Å; F288-A364 HydrophobicContact CD2-CB 4.43Å; F288-A364 WeakPolarHBondContact O-CA 3.28Å; F288-R365 PolarHBondContact O-N 2.99Å
289V98.9Very high98.1Very high1 Ų134.5 Ų34.51%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-123.6109.8178.3-171.90000110.2H291 G355 I356 E358 R365 I367V289-H291 PolarHBondContact O-CE1 3.22Å; V289-H291 PolarHBondContact O-ND1 3.18Å; V289-G355 CarbonylContact O-C 3.47Å; V289-G355 WeakPolarHBondContact O-CA 3.45Å; V289-I356 HydrophobicContact CB-CG1 4.25Å; V289-I356 PolarHBondContact N-O 3.16Å; V289-I356 PolarHBondContact O-N 3.44Å; V289-E358 HydrophobicContact CG2-CG 3.91Å; V289-E358 WeakPolarHBondContact CG2-OE1 3.42Å; V289-R365 WeakPolarHBondContact CA-O 3.33Å; V289-R365 HydrophobicContact CG1-CG 4.49Å; V289-R365 HydrophobicContact CG2-CG 4.36Å; V289-R365 VanDerWaalsContact CG2-NH2 3.26Å; V289-I367 HydrophobicContact CG1-CG2 3.74Å
290I98.9Very high98.1Very high0 Ų034.9 Ų34.90%016%0.161CC..EExtended strand (participates in β ladder)trans-90.1122.9177.2-60.2170.6000108.8L197 I271 A275 N292 L293 I354 R365 I366 I367L197-I290 HydrophobicContact CD1-CG1 3.97Å; I271-I290 HydrophobicContact CD1-CD1 4.31Å; I271-I290 HydrophobicContact CG1-CD1 3.85Å; A275-I290 HydrophobicContact CB-CD1 4.07Å; I290-N292 WeakPolarHBondContact CG2-O 3.44Å; I290-L293 HydrophobicContact CG2-CD2 3.72Å; I290-I354 HydrophobicContact CD1-CD1 4.31Å; I290-I354 HydrophobicContact CG1-CD1 4.21Å; I290-I354 HydrophobicContact CG2-CB 4.46Å; I290-I354 HydrophobicContact CG2-CD1 4.01Å; I290-I354 HydrophobicContact CG2-CG1 4.46Å; I290-R365 PolarHBondContact N-O 2.67Å; I290-I366 HydrophobicContact CB-CB 4.47Å; I290-I366 HydrophobicContact CB-CG1 3.86Å; I290-I366 HydrophobicContact CD1-CG1 4.07Å; I290-I366 HydrophobicContact CG2-CG1 4.14Å; I290-I366 WeakPolarHBondContact O-CA 3.44Å; I290-I367 PolarHBondContact O-N 3.48Å
291H98.8Very high98.1Very high70 Ų7031.1 Ų31.132%0.32416%0.157SC..EExtended strand (participates in β ladder)trans-102.9-30.3-174.8-67.981.3000112.9V289 I354 I367 P370 R371V289-H291 PolarHBondContact O-CE1 3.22Å; V289-H291 PolarHBondContact O-ND1 3.18Å; H291-I354 PolarHBondContact N-O 2.93Å; H291-I367 HydrophobicContact CB-CD1 4.35Å; H291-P370 WeakPolarHBondContact O-CA 3.46Å; H291-R371 PolarHBondContact O-N 2.86Å
292N98.4Very high98.1Very high26 Ų2628 Ų2814%0.13914%0.142CC..EExtended strand (participates in β ladder)trans-142.2157.3-177.564.879.6000111.1I290 I353 I354 R371 I373I290-N292 WeakPolarHBondContact CG2-O 3.44Å; N292-I353 PolarHBondContact ND2-O 2.81Å; N292-I353 PolarHBondContact OD1-O 3.36Å; N292-I354 PolarHBondContact N-O 3.43Å; N292-I354 VanDerWaalsContact N-O 3.15Å; N292-I354 WeakPolarHBondContact O-CB 3.49Å; N292-I354 WeakPolarHBondContact OD1-CA 3.48Å; N292-R371 CarbonylContact C-O 3.56Å; N292-R371 WeakPolarHBondContact CA-O 3.42Å; N292-R371 HydrophobicContact CB-CB 3.97Å; N292-R371 WeakPolarHBondContact CB-O 3.17Å; N292-I373 HydrophobicContact CB-CD1 4.19Å; N292-I373 HydrophobicContact CB-CG1 4.38Å; N292-I373 WeakPolarHBondContact OD1-CD1 3.36Å
293L98.8Very high98Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-130.2113.7-176.5-61.6173.5000108.7L203 I271 I290 V295 I366 P370 R371 I372 I373L203-L293 HydrophobicContact CD1-CB 4.2Å; L203-L293 HydrophobicContact CD1-CD2 3.81Å; L203-L293 HydrophobicContact CD1-CG 4.49Å; I271-L293 HydrophobicContact CG2-CD2 4.25Å; I290-L293 HydrophobicContact CG2-CD2 3.72Å; L293-V295 HydrophobicContact CB-CG2 4.02Å; L293-V295 PolarHBondContact O-N 3.45Å; L293-I366 HydrophobicContact CD2-CD1 4.45Å; L293-P370 HydrophobicContact CD1-CB 4.17Å; L293-P370 HydrophobicContact CD1-CG 4.01Å; L293-P370 HydrophobicContact CG-CB 4.24Å; L293-R371 PolarHBondContact N-O 2.82Å; L293-I372 HydrophobicContact CB-CD1 3.81Å; L293-I372 HydrophobicContact CD1-CD1 4.08Å; L293-I372 HydrophobicContact CG-CD1 4.41Å; L293-I373 PolarHBondContact O-N 2.76Å
294P98.6Very high98Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-72.5118.2167.430.9-32.6000108.6L199 L203 W352 I354 I373 V375L199-P294 HydrophobicContact CD2-CG 3.75Å; L199-P294 HydrophobicContact CG-CG 4.48Å; L203-P294 WeakPolarHBondContact CB-O 3.44Å; L203-P294 PolarHBondContact N-O 3.24Å; P294-W352 HydrophobicContact CB-CB 4.35Å; P294-W352 HydrophobicContact CB-CD2 3.44Å; P294-W352 VanDerWaalsContact CB-CD2 3.44Å; P294-W352 HydrophobicContact CB-CE3 3.72Å; P294-W352 HydrophobicContact CB-CG 3.72Å; P294-W352 HydrophobicContact CB-CZ2 4.29Å; P294-W352 HydrophobicContact CB-CZ3 4.27Å; P294-W352 HydrophobicContact CG-CB 4.07Å; P294-W352 HydrophobicContact CG-CD2 3.75Å; P294-W352 HydrophobicContact CG-CE3 3.68Å; P294-W352 HydrophobicContact CG-CG 3.93Å; P294-W352 HydrophobicContact CG-CZ3 4.43Å; P294-I354 HydrophobicContact CG-CG2 4.13Å; P294-I373 WeakPolarHBondContact CA-O 3.39Å; P294-V375 HydrophobicContact CB-CG2 3.84Å
295V98.8Very high97.9Very high1 Ų129.7 Ų29.71%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-127.6135.7-173.71770000108.6L203 L293 A297 M299 A300 L312 I372 I373 V375L203-V295 HydrophobicContact CB-CG2 4.35Å; L203-V295 WeakPolarHBondContact O-CA 3.38Å; L293-V295 HydrophobicContact CB-CG2 4.02Å; L293-V295 PolarHBondContact O-N 3.45Å; V295-A297 PolarHBondContact O-N 3.2Å; V295-M299 HydrophobicContact CG1-CB 3.98Å; V295-A300 HydrophobicContact CG1-CB 4.16Å; V295-L312 HydrophobicContact CG1-CD2 3.69Å; V295-I372 HydrophobicContact CB-CG2 4.11Å; V295-I372 HydrophobicContact CG2-CD1 4.27Å; V295-I372 HydrophobicContact CG2-CG2 4.19Å; V295-I373 PolarHBondContact N-O 3.09Å; V295-V375 PolarHBondContact O-N 2.83Å
296L98.4Very high97.7Very high4 Ų424.8 Ų24.82%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-50.1133.4171.6-74172.6000110.2P202 L203 A208 E239 A240 K298 M299P202-L296 HydrophobicContact CB-CD2 4.2Å; P202-L296 HydrophobicContact CB-CG 4.19Å; P202-L296 HydrophobicContact CG-CD2 3.69Å; P202-L296 HydrophobicContact CG-CG 4.06Å; L203-L296 PolarHBondContact O-N 3.3Å; A208-L296 HydrophobicContact CB-CD1 4.32Å; E239-L296 HydrophobicContact CB-CD2 4.01Å; A240-L296 HydrophobicContact CB-CD1 3.73Å; L296-K298 PolarHBondContact O-N 3.1Å; L296-M299 HydrophobicContact CB-CB 4.46Å; L296-M299 HydrophobicContact CB-CG 3.8Å; L296-M299 VanDerWaalsContact O-CB 3.29Å; L296-M299 WeakPolarHBondContact O-CB 3.14Å; L296-M299 WeakPolarHBondContact O-CG 3.42Å; L296-M299 PolarHBondContact O-N 3.47Å
297A97.5Very high97.4Very high23 Ų2326.7 Ų26.719%0.1916%0.158CC..THydrogen-bonded Turntrans-50.6140.7-170.800000112.2V295 M299 E374 V375V295-A297 PolarHBondContact O-N 3.2Å; A297-M299 PolarHBondContact O-N 2.86Å; A297-E374 WeakPolarHBondContact CA-OE2 3.23Å; A297-V375 WeakPolarHBondContact CB-O 3.47Å; A297-V375 PolarHBondContact N-O 3.03Å
298K97.6Very high96.9Very high89 Ų8933.6 Ų33.639%0.38720%0.195SC..THydrogen-bonded Turntrans69-18.9-177.2-47.4-67.5-172.2165.20115.8V228 D232 L296 A300 A301 V302 E374V228-K298 HydrophobicContact CG2-CB 4.13Å; V228-K298 HydrophobicContact CG2-CG 4.35Å; D232-K298 HydrophobicContact CB-CG 4.33Å; D232-K298 WeakPolarHBondContact OD2-CE 3.47Å; D232-K298 IonicContact OD2-NZ 3.94Å; L296-K298 PolarHBondContact O-N 3.1Å; K298-A300 VanDerWaalsContact C-N 3.28Å; K298-A300 PolarHBondContact O-N 3.41Å; K298-A301 WeakPolarHBondContact O-CB 3.47Å; K298-A301 PolarHBondContact O-N 2.72Å; K298-V302 WeakPolarHBondContact O-CG2 3.49Å; K298-V302 PolarHBondContact O-N 3.45Å; K298-E374 PolarHBondContact N-OE2 2.57Å
299M98Very high96.5Very high0 Ų037.3 Ų37.30%021%0.213CC..Hα-helixtrans-66.7-28.8-173.4-63.2-57.999.100113.1V207 A208 V211 A236 V295 L296 A297 V302 S303 L312V207-M299 HydrophobicContact CB-CB 4.2Å; V207-M299 HydrophobicContact CB-CG 4.43Å; V207-M299 HydrophobicContact CB-SD 3.99Å; V207-M299 HydrophobicContact CG1-CB 4.18Å; V207-M299 HydrophobicContact CG1-CG 4.46Å; V207-M299 HydrophobicContact CG1-SD 3.65Å; A208-M299 VanDerWaalsContact CA-SD 3.54Å; A208-M299 HydrophobicContact CB-CG 4.39Å; A208-M299 HydrophobicContact CB-SD 3.86Å; A208-M299 PolarHBondContact N-SD 2.64Å; V211-M299 HydrophobicContact CG2-CE 4.46Å; V211-M299 HydrophobicContact CG2-SD 4.33Å; A236-M299 HydrophobicContact CB-CE 3.69Å; A236-M299 HydrophobicContact CB-SD 4.18Å; V295-M299 HydrophobicContact CG1-CB 3.98Å; L296-M299 HydrophobicContact CB-CB 4.46Å; L296-M299 HydrophobicContact CB-CG 3.8Å; L296-M299 VanDerWaalsContact O-CB 3.29Å; L296-M299 WeakPolarHBondContact O-CB 3.14Å; L296-M299 WeakPolarHBondContact O-CG 3.42Å; L296-M299 PolarHBondContact O-N 3.47Å; A297-M299 PolarHBondContact O-N 2.86Å; M299-V302 HydrophobicContact CE-CG2 4.08Å; M299-S303 WeakPolarHBondContact O-CB 3.14Å; M299-S303 PolarHBondContact O-N 3.5Å; M299-L312 HydrophobicContact CB-CD2 4.17Å
300A97.4Very high96.2Very high8 Ų837.6 Ų37.67%0.06621%0.214CC..Hα-helixtrans-63.5-44.317100000112V295 K298 S303 K304 M313 I372V295-A300 HydrophobicContact CG1-CB 4.16Å; K298-A300 VanDerWaalsContact C-N 3.28Å; K298-A300 PolarHBondContact O-N 3.41Å; A300-S303 PolarHBondContact O-N 3.31Å; A300-K304 WeakPolarHBondContact O-CB 3.3Å; A300-K304 PolarHBondContact O-N 3.34Å; A300-M313 HydrophobicContact CB-SD 3.83Å; A300-I372 HydrophobicContact CB-CG1 4.43Å; A300-I372 HydrophobicContact CB-CG2 4.06Å
301A97.3Very high96Very high45 Ų4537.9 Ų37.937%0.37222%0.217SC..Hα-helixtrans-65.9-42.917800000111.7V227 K298 K304 A305V227-A301 HydrophobicContact CG1-CB 3.98Å; K298-A301 WeakPolarHBondContact O-CB 3.47Å; K298-A301 PolarHBondContact O-N 2.72Å; A301-K304 PolarHBondContact O-N 3.34Å; A301-A305 WeakPolarHBondContact O-CB 3.18Å; A301-A305 PolarHBondContact O-N 3.18Å
302V97.1Very high95.9Very high0 Ų034.7 Ų34.70%020%0.203CC..Hα-helixtrans-59.7-51.3173.8171.20000110.9V207 V211 I224 V227 V228 K298 M299 K304 A305 C306V207-V302 HydrophobicContact CG1-CB 3.96Å; V207-V302 HydrophobicContact CG1-CG1 3.47Å; V207-V302 VanDerWaalsContact CG1-CG1 3.47Å; V211-V302 HydrophobicContact CG1-CG1 3.5Å; V211-V302 VanDerWaalsContact CG1-CG1 3.5Å; I224-V302 HydrophobicContact CG2-CG1 4.33Å; V227-V302 HydrophobicContact CG1-CG2 4.39Å; V228-V302 HydrophobicContact CB-CG2 4.08Å; V228-V302 HydrophobicContact CG1-CG2 3.97Å; V228-V302 HydrophobicContact CG2-CG2 4.48Å; K298-V302 WeakPolarHBondContact O-CG2 3.49Å; K298-V302 PolarHBondContact O-N 3.45Å; M299-V302 HydrophobicContact CE-CG2 4.08Å; V302-K304 PolarHBondContact O-N 3.08Å; V302-A305 PolarHBondContact O-N 3.03Å; V302-A305 VanDerWaalsContact O-N 3.11Å; V302-C306 PolarHBondContact O-N 2.91Å; V302-C306 PolarHBondContact O-SG 3.02Å
303S96.5Very high95.7Very high3 Ų336 Ų362%0.02121%0.208CC..Hα-helixtrans-56.4-42.3178.6177.70000111.3M299 A300 C306 G307 L312M299-S303 WeakPolarHBondContact O-CB 3.14Å; M299-S303 PolarHBondContact O-N 3.5Å; A300-S303 PolarHBondContact O-N 3.31Å; S303-C306 PolarHBondContact O-N 2.98Å; S303-G307 PolarHBondContact O-N 2.86Å; S303-L312 WeakPolarHBondContact OG-CB 3.23Å; S303-L312 PolarHBondContact OG-N 3.5Å
304K95.7Very high95.6Very high167 Ų16741.6 Ų41.673%0.72623%0.234SC*.Hα-helixtrans-65.5-40.6178.5-173.6178.4-179.7-1790112.1A300 A301 V302 C306 G307A300-K304 WeakPolarHBondContact O-CB 3.3Å; A300-K304 PolarHBondContact O-N 3.34Å; A301-K304 PolarHBondContact O-N 3.34Å; V302-K304 PolarHBondContact O-N 3.08Å; K304-C306 PolarHBondContact O-N 2.92Å; K304-G307 PolarHBondContact O-N 3.09Å; K304-G307 VanDerWaalsContact O-N 3.11Å
305A95.4Very high95.5Very high54 Ų5441.6 Ų41.645%0.44624%0.235SC..Hα-helixtrans-64.8-28.2177.100000112.8V227 A301 V302 G307V227-A305 HydrophobicContact CG1-CB 4.36Å; V227-A305 HydrophobicContact CG2-CB 3.63Å; A301-A305 WeakPolarHBondContact O-CB 3.18Å; A301-A305 PolarHBondContact O-N 3.18Å; V302-A305 PolarHBondContact O-N 3.03Å; V302-A305 VanDerWaalsContact O-N 3.11Å; A305-G307 VanDerWaalsContact C-N 3.29Å; A305-G307 PolarHBondContact O-N 2.98Å
306C93.4Very high95.4Very high24 Ų2445.4 Ų45.416%0.16226%0.258CS..THydrogen-bonded Turntrans-85.67175-63.60000114V302 S303 K304 N308 M309 F310V302-C306 PolarHBondContact O-N 2.91Å; V302-C306 PolarHBondContact O-SG 3.02Å; S303-C306 PolarHBondContact O-N 2.98Å; K304-C306 PolarHBondContact O-N 2.92Å; C306-N308 PolarHBondContact O-N 2.97Å; C306-M309 HydrophobicContact CB-CB 4.04Å; C306-M309 HydrophobicContact CB-SD 4.45Å; C306-M309 WeakPolarHBondContact O-CB 3.47Å; C306-M309 PolarHBondContact O-N 2.84Å; C306-F310 HydrophobicContact CB-CD2 3.98Å; C306-F310 HydrophobicContact CB-CE2 3.95Å
307G91.9Very high95.3Very high41 Ų4145.3 Ų45.342%0.42326%0.258SS..G310 helixtrans60.1-128.2-177.800000112.2S303 K304 A305 M309S303-G307 PolarHBondContact O-N 2.86Å; K304-G307 PolarHBondContact O-N 3.09Å; K304-G307 VanDerWaalsContact O-N 3.11Å; A305-G307 VanDerWaalsContact C-N 3.29Å; A305-G307 PolarHBondContact O-N 2.98Å; G307-M309 VanDerWaalsContact C-N 3.28Å; G307-M309 PolarHBondContact O-N 3.18Å
308N88.3Confident95.3Very high149 Ų14944.5 Ų44.580%0.79725%0.25SS*.G310 helixtrans-86.29.1-175.6-64.1-15.9000114.1C306 F310C306-N308 PolarHBondContact O-N 2.97Å; N308-F310 VanDerWaalsContact C-N 3.34Å; N308-F310 PolarHBondContact O-N 3.01Å
309M90.9Very high95.3Very high78 Ų7840.5 Ų40.538%0.38423%0.233SC..G310 helixtrans-61.5-40.3-174.8-176.8178.3-65.900113.4W214 C306 G307W214-M309 HydrophobicContact CH2-CE 4.36Å; W214-M309 HydrophobicContact CH2-SD 3.48Å; W214-M309 WeakPolarHBondContact CH2-SD 3.37Å; W214-M309 HydrophobicContact CZ2-SD 3.56Å; W214-M309 VanDerWaalsContact CZ2-SD 3.56Å; C306-M309 HydrophobicContact CB-CB 4.04Å; C306-M309 HydrophobicContact CB-SD 4.45Å; C306-M309 WeakPolarHBondContact O-CB 3.47Å; C306-M309 PolarHBondContact O-N 2.84Å; G307-M309 VanDerWaalsContact C-N 3.28Å; G307-M309 PolarHBondContact O-N 3.18Å
310F93.3Very high95.3Very high7 Ų741.2 Ų41.23%0.03124%0.238CC..THydrogen-bonded Turntrans-107.5-40.6-177.1-62.5-75000112.6Q206 V207 A210 W214 C306 N308 L312 C317Q206-F310 HydrophobicContact CG-CD1 4.42Å; V207-F310 HydrophobicContact CG1-CD2 4.49Å; V207-F310 HydrophobicContact CG1-CE2 4.3Å; V207-F310 HydrophobicContact CG1-CZ 4.47Å; V207-F310 HydrophobicContact CG2-CB 3.99Å; V207-F310 HydrophobicContact CG2-CD1 3.89Å; V207-F310 HydrophobicContact CG2-CD2 4.15Å; V207-F310 HydrophobicContact CG2-CE1 4.36Å; V207-F310 HydrophobicContact CG2-CG 3.76Å; A210-F310 HydrophobicContact CB-CE1 3.76Å; A210-F310 HydrophobicContact CB-CZ 3.85Å; W214-F310 AromaticContact CH2-CE2 3.82Å; W214-F310 HydrophobicContact CH2-CE2 3.82Å; W214-F310 AromaticContact CH2-CZ 3.79Å; W214-F310 HydrophobicContact CH2-CZ 3.79Å; W214-F310 HydrophobicContact CZ2-CE2 4.31Å; W214-F310 AromaticContact CZ2-CZ 3.81Å; W214-F310 HydrophobicContact CZ2-CZ 3.81Å; C306-F310 HydrophobicContact CB-CD2 3.98Å; C306-F310 HydrophobicContact CB-CE2 3.95Å; N308-F310 VanDerWaalsContact C-N 3.34Å; N308-F310 PolarHBondContact O-N 3.01Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 2.89Å; F310-C317 WeakPolarHBondContact O-CA 3.46Å; F310-C317 WeakPolarHBondContact O-CB 3.36Å; F310-C317 PolarHBondContact O-N 2.94Å
311G94.2Very high95.3Very high7 Ų740.9 Ų40.97%0.07224%0.235CC..  trans69.625-177.500000114.4M313 H314 G315 T316G311-M313 VanDerWaalsContact C-N 3.27Å; G311-M313 PolarHBondContact O-N 3.45Å; G311-H314 CarbonylContact O-C 3.54Å; G311-H314 WeakPolarHBondContact O-CA 3.35Å; G311-H314 PolarHBondContact O-N 3.1Å; G311-G315 PolarHBondContact O-N 3.1Å; G311-T316 PolarHBondContact O-N 3.09Å; G311-T316 PolarHBondContact O-OG1 3.47Å
312L96Very high95.4Very high3 Ų339 Ų392%0.01622%0.219CC..G310 helixtrans-57.1-41-176.7-17757.9000112.5L203 V207 V295 M299 S303 F310 H314 G315 C317L203-L312 HydrophobicContact CB-CD1 4.13Å; V207-L312 HydrophobicContact CG2-CB 4.5Å; V207-L312 HydrophobicContact CG2-CD2 3.98Å; V295-L312 HydrophobicContact CG1-CD2 3.69Å; M299-L312 HydrophobicContact CB-CD2 4.17Å; S303-L312 WeakPolarHBondContact OG-CB 3.23Å; S303-L312 PolarHBondContact OG-N 3.5Å; F310-L312 VanDerWaalsContact C-N 3.32Å; F310-L312 PolarHBondContact O-N 2.89Å; L312-H314 PolarHBondContact O-N 3.26Å; L312-G315 PolarHBondContact O-N 3.47Å; L312-G315 VanDerWaalsContact O-N 3.16Å; L312-C317 HydrophobicContact CB-CB 4.03Å; L312-C317 HydrophobicContact CD1-CB 3.98Å
313M94.6Very high95.5Very high52 Ų5239 Ų3926%0.25622%0.22SC..G310 helixtrans-69.1-20.6178.8-57.5-56.5-57.400113.6A300 G311 I372A300-M313 HydrophobicContact CB-SD 3.83Å; G311-M313 VanDerWaalsContact C-N 3.27Å; G311-M313 PolarHBondContact O-N 3.45Å; M313-I372 HydrophobicContact CE-CD1 3.39Å; M313-I372 HydrophobicContact CE-CG1 3.44Å; M313-I372 VanDerWaalsContact CE-CG1 3.44Å; M313-I372 HydrophobicContact SD-CD1 3.83Å; M313-I372 HydrophobicContact SD-CG1 4.02Å
314H96.1Very high95.6Very high118 Ų11838.9 Ų38.955%0.54622%0.219SC..G310 helixtrans-97.2-0.5177.9-60.5-65000112.2G311 L312 T316G311-H314 CarbonylContact O-C 3.54Å; G311-H314 WeakPolarHBondContact O-CA 3.35Å; G311-H314 PolarHBondContact O-N 3.1Å; L312-H314 PolarHBondContact O-N 3.26Å; H314-T316 PolarHBondContact O-N 2.9Å
315G97.3Very high95.8Very high1 Ų131 Ų311%0.0119%0.185CC..THydrogen-bonded Turntrans72.112.8179.500000115.2G270 I271 L272 G311 L312G270-G315 CarbonylContact C-O 3.58Å; I271-G315 PolarHBondContact N-O 3.43Å; I271-G315 VanDerWaalsContact N-O 3.17Å; L272-G315 WeakPolarHBondContact CB-O 3.32Å; L272-G315 PolarHBondContact N-O 2.93Å; G311-G315 PolarHBondContact O-N 3.1Å; L312-G315 PolarHBondContact O-N 3.47Å; L312-G315 VanDerWaalsContact O-N 3.16Å
316T96.6Very high95.9Very high81 Ų8128.4 Ų28.450%0.49716%0.163SC..  trans-100.6-1.7-179610000112.9G311 H314G311-T316 PolarHBondContact O-N 3.09Å; G311-T316 PolarHBondContact O-OG1 3.47Å; H314-T316 PolarHBondContact O-N 2.9Å
317C96.4Very high96.2Very high2 Ų227.2 Ų27.21%0.01416%0.156CC..SBendtrans-68.5130.6175.5-1740000109.3G270 F310 L312G270-C317 WeakPolarHBondContact CA-O 3.24Å; F310-C317 WeakPolarHBondContact O-CA 3.46Å; F310-C317 WeakPolarHBondContact O-CB 3.36Å; F310-C317 PolarHBondContact O-N 2.94Å; L312-C317 HydrophobicContact CB-CB 4.03Å; L312-C317 HydrophobicContact CD1-CB 3.98Å
318P96.8Very high96.5Very high5 Ų525.3 Ų25.33%0.03214%0.136CC..  trans-57.2147.7173-19.828000111.4T29 Q206T29-P318 VanDerWaalsContact O-CG 3.28Å; T29-P318 WeakPolarHBondContact O-CG 3.49Å; Q206-P318 HydrophobicContact CB-CB 4.4Å; Q206-P318 WeakPolarHBondContact CB-O 3.45Å; Q206-P318 HydrophobicContact CG-CB 4.33Å; Q206-P318 HydrophobicContact CG-CG 4.32Å
319E98.1Very high97Very high5 Ų518.5 Ų18.52%0.02310%0.1CC..  trans-118158.7162.8-56.9-61.2159.100108.6L203 G204 T205 I266 T267 G268L203-E319 WeakPolarHBondContact CB-OE1 3.46Å; L203-E319 HydrophobicContact CD2-CG 4.02Å; G204-E319 PolarHBondContact N-OE1 3.43Å; G204-E319 PolarHBondContact N-OE2 3.34Å; G204-E319 VanDerWaalsContact N-OE2 3.14Å; T205-E319 WeakPolarHBondContact CB-OE2 3.21Å; T205-E319 WeakPolarHBondContact CG2-OE2 2.94Å; T205-E319 PolarHBondContact N-OE2 3.2Å; T205-E319 WeakPolarHBondContact OG1-CA 3.32Å; T205-E319 PolarHBondContact OG1-OE2 3.03Å; I266-E319 HydrophobicContact CG2-CB 4.18Å; I266-E319 HydrophobicContact CG2-CG 3.76Å; I266-E319 WeakPolarHBondContact O-CB 3.34Å; T267-E319 CarbonylContact C-O 3.47Å; T267-E319 WeakPolarHBondContact CA-O 3.33Å; T267-E319 PolarHBondContact O-N 2.86Å; T267-E319 VanDerWaalsContact O-O 3.11Å; G268-E319 PolarHBondContact N-O 3.24Å
320T98Very high97.3Very high16 Ų1621.7 Ų21.710%0.09811%0.107CC..SBendtrans-123.9131.7169.7-600000108.3I89 I92 I102 T205 M244 G322I89-T320 HydrophobicContact CD1-CG2 3.7Å; I89-T320 HydrophobicContact CG2-CG2 4.38Å; I92-T320 HydrophobicContact CD1-CG2 3.59Å; I102-T320 HydrophobicContact CG2-CG2 4.09Å; T205-T320 PolarHBondContact OG1-N 3.39Å; M244-T320 WeakPolarHBondContact CG-O 3.37Å; M244-T320 HydrophobicContact SD-CG2 4.46Å; T320-G322 PolarHBondContact O-N 3.48Å
321S98.4Very high97.6Very high1 Ų128 Ų281%0.00714%0.137CC..SBendtrans45.948.4-177.1-167.60000112.6N106 K201 M244N106-S321 PolarHBondContact N-OG 3.05Å; N106-S321 PolarHBondContact OD1-N 3.37Å; K201-S321 PolarHBondContact NZ-O 2.89Å; M244-S321 WeakPolarHBondContact O-CB 3.39Å; M244-S321 PolarHBondContact O-OG 3.39Å
322G98.7Very high97.8Very high4 Ų429.7 Ų29.74%0.04114%0.143CC..  trans-72.5-167.7-18000000112.5K201 N248 I266 T320K201-G322 VanDerWaalsContact CD-C 3.49Å; K201-G322 WeakPolarHBondContact CD-O 3Å; K201-G322 WeakPolarHBondContact CE-O 3.31Å; K201-G322 PolarHBondContact NZ-O 3.13Å; N248-G322 PolarHBondContact ND2-O 2.96Å; I266-G322 WeakPolarHBondContact O-CA 3.43Å; I266-G322 PolarHBondContact O-N 3Å; T320-G322 PolarHBondContact O-N 3.48Å
323G98.7Very high97.8Very high2 Ų229.5 Ų29.52%0.02114%0.142CC..  trans-88.5170.4-177.800000111.2T200 D265 I266T200-G323 WeakPolarHBondContact OG1-CA 3.2Å; D265-G323 WeakPolarHBondContact CA-O 3.47Å; I266-G323 PolarHBondContact N-O 3.25Å
324L98.9Very high98Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-75.3137.2167.5-55.7-172.4000109.7Y112 A113 L199 T200 N248 A251 M255 T264 D265 I326Y112-L324 WeakPolarHBondContact O-CD1 3.18Å; A113-L324 HydrophobicContact CB-CD2 4.04Å; L199-L324 WeakPolarHBondContact CA-O 3.48Å; T200-L324 HydrophobicContact CG2-CB 4.29Å; T200-L324 PolarHBondContact N-O 2.9Å; T200-L324 VanDerWaalsContact N-O 3.07Å; T200-L324 PolarHBondContact OG1-N 3.42Å; N248-L324 HydrophobicContact CB-CD1 4.3Å; N248-L324 HydrophobicContact CB-CD2 3.97Å; N248-L324 HydrophobicContact CB-CG 3.93Å; A251-L324 HydrophobicContact CB-CD1 3.73Å; A251-L324 HydrophobicContact CB-CG 4.26Å; M255-L324 HydrophobicContact CE-CD1 4.01Å; M255-L324 HydrophobicContact SD-CD1 4.15Å; T264-L324 CarbonylContact O-C 3.44Å; T264-L324 WeakPolarHBondContact O-CA 3.37Å; D265-L324 HydrophobicContact CB-CD2 3.8Å; L324-I326 HydrophobicContact CB-CD1 3.93Å; L324-I326 HydrophobicContact CB-CG1 3.67Å; L324-I326 HydrophobicContact CD1-CD1 4.42Å
325L98.9Very high98.1Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-100.2111.5163.1174.765.6000108.3L197 V198 L199 A263 T264 I266 I271 A275 I354L197-L325 HydrophobicContact CB-CD1 4.04Å; V198-L325 CarbonylContact O-C 3.56Å; V198-L325 WeakPolarHBondContact O-CA 3.28Å; L199-L325 HydrophobicContact CD1-CB 4.5Å; A263-L325 VanDerWaalsContact CA-O 3.22Å; A263-L325 WeakPolarHBondContact CA-O 3.12Å; T264-L325 HydrophobicContact CG2-CB 4.16Å; T264-L325 HydrophobicContact CG2-CD2 4.39Å; T264-L325 PolarHBondContact N-O 3.25Å; T264-L325 VanDerWaalsContact N-O 3.11Å; T264-L325 PolarHBondContact O-N 3.47Å; I266-L325 HydrophobicContact CD1-CB 3.73Å; I266-L325 HydrophobicContact CD1-CD2 4.13Å; I266-L325 HydrophobicContact CG1-CB 4.18Å; I271-L325 HydrophobicContact CD1-CD1 4.4Å; I271-L325 HydrophobicContact CD1-CD2 4.11Å; A275-L325 HydrophobicContact CB-CD2 3.69Å; L325-I354 HydrophobicContact CD1-CD1 3.77Å; L325-I354 HydrophobicContact CD1-CG1 4.29Å
326I98.9Very high98.1Very high0 Ų031.6 Ų31.60%016%0.156CC..EExtended strand (participates in β ladder)trans-118.6129.3-166.4-47.8169.1000109.7L197 V198 T200 M255 A260 A263 L324 L328 F336L197-I326 CarbonylContact C-O 3.6Å; L197-I326 WeakPolarHBondContact CA-O 3.3Å; V198-I326 HydrophobicContact CB-CB 4.47Å; V198-I326 PolarHBondContact N-O 3.46Å; V198-I326 PolarHBondContact O-N 2.97Å; T200-I326 HydrophobicContact CG2-CD1 3.83Å; M255-I326 HydrophobicContact CG-CD1 3.87Å; M255-I326 HydrophobicContact CG-CG1 4.4Å; M255-I326 HydrophobicContact CG-CG2 4.05Å; M255-I326 HydrophobicContact SD-CB 4.43Å; M255-I326 HydrophobicContact SD-CD1 3.94Å; M255-I326 HydrophobicContact SD-CG1 3.85Å; M255-I326 HydrophobicContact SD-CG2 3.74Å; A260-I326 HydrophobicContact CB-CG2 3.6Å; A263-I326 HydrophobicContact CB-CB 4.41Å; A263-I326 HydrophobicContact CB-CG1 4.14Å; A263-I326 HydrophobicContact CB-CG2 4.33Å; L324-I326 HydrophobicContact CB-CD1 3.93Å; L324-I326 HydrophobicContact CB-CG1 3.67Å; L324-I326 HydrophobicContact CD1-CD1 4.42Å; I326-L328 HydrophobicContact CB-CD1 4.44Å; I326-L328 HydrophobicContact CG2-CD1 4.03Å; I326-L328 HydrophobicContact CG2-CG 3.81Å; I326-F336 HydrophobicContact CD1-CE1 4.01Å; I326-F336 HydrophobicContact CD1-CE2 4Å; I326-F336 HydrophobicContact CD1-CZ 3.41Å; I326-F336 VanDerWaalsContact CD1-CZ 3.41Å
327C98.9Very high98.2Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-83.7114.8165.8-61.50000108.8A191 H261 A262A191-C327 HydrophobicContact CB-CB 3.91Å; H261-C327 HydrophobicContact CB-CB 4.4Å; H261-C327 PolarHBondContact N-O 3.08Å; A262-C327 HydrophobicContact CB-CB 4.18Å; A262-C327 PolarHBondContact O-N 3.37Å
328L98.8Very high98.2Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-123.1147.5-179.1-85.4159.8000111.2D195 V196 V198 F258 A260 I326 R330 A333 F336D195-L328 WeakPolarHBondContact CA-O 3.33Å; D195-L328 WeakPolarHBondContact CB-O 3.3Å; V196-L328 PolarHBondContact N-O 3.02Å; V196-L328 PolarHBondContact O-N 3.48Å; V198-L328 HydrophobicContact CB-CD1 4.17Å; V198-L328 HydrophobicContact CG2-CD1 3.8Å; F258-L328 HydrophobicContact CB-CD2 3.96Å; F258-L328 VanDerWaalsContact O-CD2 3.31Å; F258-L328 WeakPolarHBondContact O-CD2 3.39Å; A260-L328 HydrophobicContact CB-CD2 3.95Å; A260-L328 HydrophobicContact CB-CG 4.41Å; I326-L328 HydrophobicContact CB-CD1 4.44Å; I326-L328 HydrophobicContact CG2-CD1 4.03Å; I326-L328 HydrophobicContact CG2-CG 3.81Å; L328-R330 PolarHBondContact O-N 3.38Å; L328-A333 HydrophobicContact CB-CB 4.27Å; L328-F336 HydrophobicContact CD1-CB 3.9Å; L328-F336 HydrophobicContact CD1-CD1 4Å; L328-F336 HydrophobicContact CD1-CD2 3.89Å; L328-F336 HydrophobicContact CD1-CE2 4.45Å; L328-F336 HydrophobicContact CD1-CG 3.66Å
329P98.8Very high98.2Very high7 Ų733.8 Ų33.85%0.04517%0.173CC..  trans-53.2135.7164.9-21.730.5000110.3N259 E331 Q332 A333N259-P329 WeakPolarHBondContact O-CD 3.44Å; P329-E331 WeakPolarHBondContact CB-OE1 3.37Å; P329-E331 PolarHBondContact O-N 3.29Å; P329-Q332 HydrophobicContact CB-CB 4.32Å; P329-Q332 HydrophobicContact CB-CG 4.03Å; P329-Q332 HydrophobicContact CG-CG 4.27Å; P329-Q332 PolarHBondContact O-N 3.3Å; P329-A333 PolarHBondContact O-N 3.02Å; P329-A333 VanDerWaalsContact O-N 3.09Å
330R98.1Very high98.1Very high144 Ų14434.3 Ų34.354%0.54318%0.176SC..Hα-helixtrans-55.5-40.2-173.9179.6175.4-65-136.7-4112.5G194 V196 L328 Q332G194-R330 PolarHBondContact O-NE 3.17Å; G194-R330 PolarHBondContact O-NH2 3.12Å; V196-R330 HydrophobicContact CG1-CB 4.3Å; V196-R330 HydrophobicContact CG1-CG 4.24Å; L328-R330 PolarHBondContact O-N 3.38Å; R330-Q332 VanDerWaalsContact C-N 3.26Å; R330-Q332 PolarHBondContact O-N 3.45Å
331E97.7Very high97.9Very high141 Ų14139 Ų3966%0.65919%0.194SC*.Hα-helixtrans-69.3-21.6179.664.3-80.6-171.400113.5P329P329-E331 WeakPolarHBondContact CB-OE1 3.37Å; P329-E331 PolarHBondContact O-N 3.29Å
332Q98.4Very high97.5Very high41 Ų4140.6 Ų40.619%0.19221%0.206CC..Hα-helixtrans-95.9-26.9179.9-59.8-67.852.300113.1F258 P329 R330 A334 R335 F336F258-Q332 HydrophobicContact CB-CB 4.22Å; F258-Q332 HydrophobicContact CD1-CB 4.4Å; F258-Q332 WeakPolarHBondContact O-CB 3.2Å; P329-Q332 HydrophobicContact CB-CB 4.32Å; P329-Q332 HydrophobicContact CB-CG 4.03Å; P329-Q332 HydrophobicContact CG-CG 4.27Å; P329-Q332 PolarHBondContact O-N 3.3Å; R330-Q332 VanDerWaalsContact C-N 3.26Å; R330-Q332 PolarHBondContact O-N 3.45Å; Q332-A334 VanDerWaalsContact C-N 3.35Å; Q332-A334 PolarHBondContact O-N 2.85Å; Q332-R335 WeakPolarHBondContact O-CB 3.34Å; Q332-R335 PolarHBondContact O-N 3.26Å; Q332-R335 VanDerWaalsContact OE1-NH1 3.08Å; Q332-F336 PolarHBondContact O-N 3.17Å
333A97.8Very high96.6Very high0 Ų045.6 Ų45.60%024%0.237CC..Hα-helixtrans-57.8-41.1-171.700000114.4V196 V198 L328 P329 R335 F336 C337 I353V196-A333 HydrophobicContact CG2-CB 3.19Å; V198-A333 HydrophobicContact CG2-CB 4.11Å; L328-A333 HydrophobicContact CB-CB 4.27Å; P329-A333 PolarHBondContact O-N 3.02Å; P329-A333 VanDerWaalsContact O-N 3.09Å; A333-R335 VanDerWaalsContact C-N 3.32Å; A333-R335 PolarHBondContact O-N 3.33Å; A333-F336 PolarHBondContact O-N 3.05Å; A333-C337 PolarHBondContact O-N 2.86Å; A333-C337 PolarHBondContact O-SG 3.18Å; A333-I353 HydrophobicContact CB-CD1 3.84Å; A333-I353 HydrophobicContact CB-CG1 4.18Å
334A97.6Very high95.8Very high65 Ų6552 Ų5254%0.53727%0.265SS..Hα-helixtrans-65.7-36.7177.200000112.2Q332 C337 A338Q332-A334 VanDerWaalsContact C-N 3.35Å; Q332-A334 PolarHBondContact O-N 2.85Å; A334-C337 PolarHBondContact O-N 2.76Å; A334-A338 WeakPolarHBondContact O-CB 3.31Å; A334-A338 PolarHBondContact O-N 3.42Å
335R97.8Very high94.6Very high150 Ų15056.5 Ų56.557%0.56628%0.282SS*.Hα-helixtrans-71.5-41.2177.8-62.2174.663.5-162.22.7111.2F258 Q332 A333 C337 A338 E339F258-R335 HydrophobicContact CD1-CB 4.03Å; F258-R335 HydrophobicContact CE1-CB 3.44Å; F258-R335 VanDerWaalsContact CE1-CB 3.44Å; F258-R335 HydrophobicContact CZ-CB 4.1Å; Q332-R335 WeakPolarHBondContact O-CB 3.34Å; Q332-R335 PolarHBondContact O-N 3.26Å; Q332-R335 VanDerWaalsContact OE1-NH1 3.08Å; A333-R335 VanDerWaalsContact C-N 3.32Å; A333-R335 PolarHBondContact O-N 3.33Å; R335-C337 VanDerWaalsContact C-N 3.35Å; R335-C337 PolarHBondContact O-N 3Å; R335-A338 PolarHBondContact O-N 2.98Å; R335-E339 WeakPolarHBondContact O-CB 3.32Å; R335-E339 PolarHBondContact O-N 3.18Å
336F98.3Very high93.3Very high0 Ų058.7 Ų58.70%031%0.305CS..Hα-helixtrans-55.2-50.3170.6177.4-81.5000111V198 T200 A251 L254 M255 F258 I326 L328 Q332 A333 A338 E339 I340 A351V198-F336 HydrophobicContact CG1-CD1 3.97Å; V198-F336 HydrophobicContact CG1-CE1 3.88Å; T200-F336 HydrophobicContact CG2-CE1 4.09Å; T200-F336 HydrophobicContact CG2-CZ 4.22Å; A251-F336 HydrophobicContact CB-CZ 4.49Å; L254-F336 HydrophobicContact CB-CD2 3.79Å; L254-F336 HydrophobicContact CB-CE2 3.44Å; L254-F336 VanDerWaalsContact CB-CE2 3.44Å; L254-F336 HydrophobicContact CB-CZ 4.3Å; M255-F336 HydrophobicContact CG-CE2 4.47Å; F258-F336 HydrophobicContact CB-CB 4.15Å; F258-F336 HydrophobicContact CB-CD2 4.15Å; F258-F336 HydrophobicContact CD2-CB 3.84Å; F258-F336 AromaticContact CD2-CD2 3.77Å; F258-F336 HydrophobicContact CD2-CD2 3.77Å; F258-F336 HydrophobicContact CD2-CG 4.24Å; F258-F336 HydrophobicContact CE2-CB 4.38Å; F258-F336 HydrophobicContact CG-CB 3.93Å; F258-F336 HydrophobicContact CG-CD2 4.29Å; I326-F336 HydrophobicContact CD1-CE1 4.01Å; I326-F336 HydrophobicContact CD1-CE2 4Å; I326-F336 HydrophobicContact CD1-CZ 3.41Å; I326-F336 VanDerWaalsContact CD1-CZ 3.41Å; L328-F336 HydrophobicContact CD1-CB 3.9Å; L328-F336 HydrophobicContact CD1-CD1 4Å; L328-F336 HydrophobicContact CD1-CD2 3.89Å; L328-F336 HydrophobicContact CD1-CE2 4.45Å; L328-F336 HydrophobicContact CD1-CG 3.66Å; Q332-F336 PolarHBondContact O-N 3.17Å; A333-F336 PolarHBondContact O-N 3.05Å; F336-A338 VanDerWaalsContact C-N 3.3Å; F336-A338 PolarHBondContact O-N 2.87Å; F336-E339 PolarHBondContact O-N 2.92Å; F336-I340 HydrophobicContact CD1-CG2 4.44Å; F336-I340 HydrophobicContact CE1-CB 4.49Å; F336-I340 HydrophobicContact CE1-CD1 4.04Å; F336-I340 HydrophobicContact CE1-CG2 4.25Å; F336-I340 HydrophobicContact CZ-CD1 4.02Å; F336-I340 WeakPolarHBondContact O-CG2 3.22Å; F336-I340 PolarHBondContact O-N 2.99Å; F336-A351 HydrophobicContact CE1-CB 4.34Å
337C97.9Very high92Very high21 Ų2165.3 Ų65.314%0.14234%0.336CS..Hα-helixtrans-63.9-33.9-179.4-66.30000112.9A333 A334 R335 K341A333-C337 PolarHBondContact O-N 2.86Å; A333-C337 PolarHBondContact O-SG 3.18Å; A334-C337 PolarHBondContact O-N 2.76Å; R335-C337 VanDerWaalsContact C-N 3.35Å; R335-C337 PolarHBondContact O-N 3Å; C337-K341 WeakPolarHBondContact O-CB 3.48Å; C337-K341 PolarHBondContact O-N 3.39Å
338A96.7Very high91.1Very high63 Ų6366.4 Ų66.452%0.52135%0.347SS..Hα-helixtrans-71.8-43.3175.300000111.9A334 R335 F336 K341 S342A334-A338 WeakPolarHBondContact O-CB 3.31Å; A334-A338 PolarHBondContact O-N 3.42Å; R335-A338 PolarHBondContact O-N 2.98Å; F336-A338 VanDerWaalsContact C-N 3.3Å; F336-A338 PolarHBondContact O-N 2.87Å; A338-K341 PolarHBondContact O-N 3.39Å; A338-S342 PolarHBondContact O-N 3.33Å; A338-S342 VanDerWaalsContact O-N 3.1Å
339E96.8Very high90.7Very high50 Ų5068.4 Ų68.423%0.23436%0.356CS..Hα-helixtrans-69.2-41.6-177.7-166.370.6-171.100111.5L254 F258 R335 F336 K341 S342 K344 Y345L254-E339 HydrophobicContact CD1-CB 4.35Å; L254-E339 HydrophobicContact CD1-CG 4.31Å; L254-E339 HydrophobicContact CD2-CG 3.81Å; F258-E339 HydrophobicContact CE2-CB 3.71Å; F258-E339 HydrophobicContact CE2-CG 3.97Å; F258-E339 HydrophobicContact CZ-CB 3.81Å; F258-E339 HydrophobicContact CZ-CG 4.14Å; R335-E339 WeakPolarHBondContact O-CB 3.32Å; R335-E339 PolarHBondContact O-N 3.18Å; F336-E339 PolarHBondContact O-N 2.92Å; E339-K341 VanDerWaalsContact C-N 3.28Å; E339-K341 PolarHBondContact O-N 3.09Å; E339-S342 WeakPolarHBondContact O-CB 3.32Å; E339-S342 PolarHBondContact O-N 3.46Å; E339-S342 VanDerWaalsContact O-N 3.1Å; E339-K344 WeakPolarHBondContact OE1-CD 3.36Å; E339-K344 IonicContact OE1-NZ 2.91Å; E339-K344 PolarHBondContact OE1-NZ 3.38Å; E339-Y345 HydrophobicContact CG-CE2 3.77Å; E339-Y345 WeakPolarHBondContact OE1-CE2 3.43Å; E339-Y345 PolarHBondContact OE1-OH 2.86Å
340I95.6Very high90.5Very high16 Ų1672.5 Ų72.58%0.08238%0.375CS..Hα-helixtrans-68.3-27.7177.9-162.1170.2000113T200 A251 L254 F336 G348 H349 A351T200-I340 HydrophobicContact CG2-CD1 4.1Å; A251-I340 HydrophobicContact CB-CD1 3.85Å; L254-I340 HydrophobicContact CD1-CB 3.6Å; L254-I340 HydrophobicContact CD1-CG1 4.01Å; F336-I340 HydrophobicContact CD1-CG2 4.44Å; F336-I340 HydrophobicContact CE1-CB 4.49Å; F336-I340 HydrophobicContact CE1-CD1 4.04Å; F336-I340 HydrophobicContact CE1-CG2 4.25Å; F336-I340 HydrophobicContact CZ-CD1 4.02Å; F336-I340 WeakPolarHBondContact O-CG2 3.22Å; F336-I340 PolarHBondContact O-N 2.99Å; I340-G348 WeakPolarHBondContact O-CA 3.46Å; I340-H349 CarbonylContact C-O 3.51Å; I340-H349 PolarHBondContact O-N 2.98Å; I340-H349 VanDerWaalsContact O-N 3.14Å; I340-A351 HydrophobicContact CG2-CB 3.77Å
341K94.4Very high90.5Very high113 Ų11365.9 Ų65.949%0.49135%0.351SS..Hα-helixtrans-79.8-18.7173.5-173.8178.5175.4179.10112.4C337 A338 E339 G348 Q350C337-K341 WeakPolarHBondContact O-CB 3.48Å; C337-K341 PolarHBondContact O-N 3.39Å; A338-K341 PolarHBondContact O-N 3.39Å; E339-K341 VanDerWaalsContact C-N 3.28Å; E339-K341 PolarHBondContact O-N 3.09Å; K341-G348 CarbonylContact O-C 3.55Å; K341-G348 WeakPolarHBondContact O-CA 3.46Å; K341-Q350 HydrophobicContact CD-CB 4.3Å
342S90.6Very high90.5Very high36 Ų3660.2 Ų60.225%0.25232%0.324SS..SBendtrans-65.6143.7-177.3-178.80000111.3A338 E339 K344 G348A338-S342 PolarHBondContact O-N 3.33Å; A338-S342 VanDerWaalsContact O-N 3.1Å; E339-S342 WeakPolarHBondContact O-CB 3.32Å; E339-S342 PolarHBondContact O-N 3.46Å; E339-S342 VanDerWaalsContact O-N 3.1Å; S342-K344 PolarHBondContact O-N 2.64Å; S342-K344 PolarHBondContact OG-N 2.65Å; S342-G348 WeakPolarHBondContact O-CA 3.48Å
343P79.9Confident90.5Very high108 Ų10861.7 Ų61.770%0.70133%0.332SS*.G310 helixtrans-68.2-2.7176.429.6-36.6000113.9Y345 G346P343-Y345 PolarHBondContact O-N 2.89Å; P343-G346 CarbonylContact C-O 3.53Å; P343-G346 VanDerWaalsContact C-O 3.31Å; P343-G346 WeakPolarHBondContact CA-O 3.17Å; P343-G346 PolarHBondContact O-N 3.31Å
344K80.4Confident90.6Very high136 Ų13661.7 Ų61.759%0.59133%0.332SS*.G310 helixtrans-59.4-27.2-180-178.4177162.5-159.30113.4E339 S342E339-K344 WeakPolarHBondContact OE1-CD 3.36Å; E339-K344 IonicContact OE1-NZ 2.91Å; E339-K344 PolarHBondContact OE1-NZ 3.38Å; S342-K344 PolarHBondContact O-N 2.64Å; S342-K344 PolarHBondContact OG-N 2.65Å
345Y73.4Confident90.6Very high95 Ų9558.9 Ų58.937%0.37331%0.309SS..G310 helixtrans-113.127.3-178.6-56.8-84.2000112.5T250 L254 E339 P343T250-Y345 HydrophobicContact CG2-CD1 4.19Å; T250-Y345 HydrophobicContact CG2-CD2 4.37Å; T250-Y345 HydrophobicContact CG2-CG 3.8Å; L254-Y345 HydrophobicContact CD2-CE2 4.25Å; E339-Y345 HydrophobicContact CG-CE2 3.77Å; E339-Y345 WeakPolarHBondContact OE1-CE2 3.43Å; E339-Y345 PolarHBondContact OE1-OH 2.86Å; P343-Y345 PolarHBondContact O-N 2.89Å
346G72.9Confident90.7Very high47 Ų4754.2 Ų54.249%0.48530%0.295SS..SBendtrans109.9-147.5-177.100000112.5P343 G348P343-G346 CarbonylContact C-O 3.53Å; P343-G346 VanDerWaalsContact C-O 3.31Å; P343-G346 WeakPolarHBondContact CA-O 3.17Å; P343-G346 PolarHBondContact O-N 3.31Å; G346-G348 VanDerWaalsContact C-N 3.27Å; G346-G348 PolarHBondContact O-N 3.08Å
347E71.3Confident90.7Very high139 Ų13954.3 Ų54.365%0.6530%0.296SS*.SBendtrans-74.783.7169.6-71.3173.4-159.300108H349E347-H349 PolarHBondContact O-CD2 2.86Å; E347-H349 PolarHBondContact O-N 3.14Å; E347-H349 PolarHBondContact O-NE2 3.04Å
348G79.4Confident90.7Very high22 Ų2256.5 Ų56.523%0.22730%0.304CS..  trans-53.3137.3-174.300000113I340 K341 S342 G346I340-G348 WeakPolarHBondContact O-CA 3.46Å; K341-G348 CarbonylContact O-C 3.55Å; K341-G348 WeakPolarHBondContact O-CA 3.46Å; S342-G348 WeakPolarHBondContact O-CA 3.48Å; G346-G348 VanDerWaalsContact C-N 3.27Å; G346-G348 PolarHBondContact O-N 3.08Å
349H90.6Very high90.8Very high42 Ų4261.4 Ų61.419%0.19431%0.313CS..  trans-115.4140.2-175.4-60.4-89.2000110.8R246 I340 E347 Q378R246-H349 WeakPolarHBondContact CD-CD2 3.34Å; R246-H349 WeakPolarHBondContact CD-NE2 3.49Å; R246-H349 VanDerWaalsContact NH1-CB 3.33Å; R246-H349 PolarHBondContact NH1-CD2 2.58Å; R246-H349 PolarHBondContact NH1-ND1 3.47Å; I340-H349 CarbonylContact C-O 3.51Å; I340-H349 PolarHBondContact O-N 2.98Å; I340-H349 VanDerWaalsContact O-N 3.14Å; E347-H349 PolarHBondContact O-CD2 2.86Å; E347-H349 PolarHBondContact O-N 3.14Å; E347-H349 PolarHBondContact O-NE2 3.04Å; H349-Q378 PolarHBondContact ND1-NE2 2.89Å
350Q94.4Very high90.9Very high93 Ų9360.1 Ų60.144%0.43531%0.313SS..  trans-67.1138.4-178.8-177.8167.9-3.800111.5K341 W352K341-Q350 HydrophobicContact CD-CB 4.3Å; Q350-W352 HydrophobicContact CB-CZ2 4.2Å; Q350-W352 HydrophobicContact CG-CZ2 4.17Å; Q350-W352 VanDerWaalsContact O-CH2 3.24Å; Q350-W352 WeakPolarHBondContact O-CH2 3.43Å; Q350-W352 WeakPolarHBondContact O-CZ3 3.4Å
351A97.8Very high91Very high5 Ų565 Ų654%0.04134%0.34CS..  trans-108.6163.6163.900000110.3V198 L199 T200 F336 I340V198-A351 HydrophobicContact CG1-CB 3.89Å; L199-A351 WeakPolarHBondContact O-CA 3.47Å; T200-A351 HydrophobicContact CG2-CB 4.32Å; F336-A351 HydrophobicContact CE1-CB 4.34Å; I340-A351 HydrophobicContact CG2-CB 3.77Å
352W98.7Very high91.2Very high22 Ų2264.3 Ų64.38%0.08333%0.334CS..EExtended strand (participates in β ladder)trans-129.5132.7-174.6-58.7-91.9000111.4V198 L199 P202 P294 Q350 I354 V375V198-W352 CarbonylContact C-O 3.44Å; V198-W352 VanDerWaalsContact CA-O 3.27Å; V198-W352 WeakPolarHBondContact CA-O 3.2Å; L199-W352 PolarHBondContact N-O 3.43Å; L199-W352 PolarHBondContact O-N 3.48Å; P202-W352 HydrophobicContact CB-CH2 4.33Å; P294-W352 HydrophobicContact CB-CB 4.35Å; P294-W352 HydrophobicContact CB-CD2 3.44Å; P294-W352 VanDerWaalsContact CB-CD2 3.44Å; P294-W352 HydrophobicContact CB-CE3 3.72Å; P294-W352 HydrophobicContact CB-CG 3.72Å; P294-W352 HydrophobicContact CB-CZ2 4.29Å; P294-W352 HydrophobicContact CB-CZ3 4.27Å; P294-W352 HydrophobicContact CG-CB 4.07Å; P294-W352 HydrophobicContact CG-CD2 3.75Å; P294-W352 HydrophobicContact CG-CE3 3.68Å; P294-W352 HydrophobicContact CG-CG 3.93Å; P294-W352 HydrophobicContact CG-CZ3 4.43Å; Q350-W352 HydrophobicContact CB-CZ2 4.2Å; Q350-W352 HydrophobicContact CG-CZ2 4.17Å; Q350-W352 VanDerWaalsContact O-CH2 3.24Å; Q350-W352 WeakPolarHBondContact O-CH2 3.43Å; Q350-W352 WeakPolarHBondContact O-CZ3 3.4Å; W352-I354 HydrophobicContact CB-CG2 3.89Å; W352-I354 PolarHBondContact O-N 3.41Å; W352-V375 HydrophobicContact CH2-CG1 4.21Å; W352-V375 HydrophobicContact CH2-CG2 4.25Å; W352-V375 HydrophobicContact CZ2-CB 4.43Å; W352-V375 HydrophobicContact CZ2-CG1 3.86Å; W352-V375 HydrophobicContact CZ2-CG2 3.62Å
353I98.8Very high91.5Very high73 Ų7365.6 Ų65.637%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-77.5107.2164.9-61.2167.2000107.6V196 L197 V198 N292 A333V196-I353 HydrophobicContact CB-CG2 3.88Å; V196-I353 HydrophobicContact CG1-CG2 4.41Å; V196-I353 HydrophobicContact CG2-CG1 4.5Å; V196-I353 HydrophobicContact CG2-CG2 4.13Å; L197-I353 CarbonylContact O-C 3.57Å; L197-I353 WeakPolarHBondContact O-CA 3.44Å; V198-I353 HydrophobicContact CG2-CG1 3.97Å; N292-I353 PolarHBondContact ND2-O 2.81Å; N292-I353 PolarHBondContact OD1-O 3.36Å; A333-I353 HydrophobicContact CB-CD1 3.84Å; A333-I353 HydrophobicContact CB-CG1 4.18Å
354I98.8Very high92.4Very high0 Ų060.8 Ų60.80%031%0.31CS..EExtended strand (participates in β ladder)trans-100.3-16.2-171.565.7161.8000114L197 L199 I271 I290 H291 N292 P294 L325 W352L197-I354 HydrophobicContact CB-CG1 3.94Å; L197-I354 PolarHBondContact O-N 3.33Å; L199-I354 HydrophobicContact CB-CD1 3.99Å; L199-I354 HydrophobicContact CB-CG1 4.32Å; L199-I354 HydrophobicContact CB-CG2 3.89Å; L199-I354 HydrophobicContact CD2-CD1 4.34Å; I271-I354 HydrophobicContact CD1-CD1 4.14Å; I290-I354 HydrophobicContact CD1-CD1 4.31Å; I290-I354 HydrophobicContact CG1-CD1 4.21Å; I290-I354 HydrophobicContact CG2-CB 4.46Å; I290-I354 HydrophobicContact CG2-CD1 4.01Å; I290-I354 HydrophobicContact CG2-CG1 4.46Å; H291-I354 PolarHBondContact N-O 2.93Å; N292-I354 PolarHBondContact N-O 3.43Å; N292-I354 VanDerWaalsContact N-O 3.15Å; N292-I354 WeakPolarHBondContact O-CB 3.49Å; N292-I354 WeakPolarHBondContact OD1-CA 3.48Å; P294-I354 HydrophobicContact CG-CG2 4.13Å; L325-I354 HydrophobicContact CD1-CD1 3.77Å; L325-I354 HydrophobicContact CD1-CG1 4.29Å; W352-I354 HydrophobicContact CB-CG2 3.89Å; W352-I354 PolarHBondContact O-N 3.41Å
355G98.8Very high93.3Very high5 Ų559.8 Ų59.85%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-174.2-168.1-171.900000114.4V196 L197 V289V196-G355 WeakPolarHBondContact CA-O 3.48Å; L197-G355 PolarHBondContact N-O 3.28Å; V289-G355 CarbonylContact O-C 3.47Å; V289-G355 WeakPolarHBondContact O-CA 3.45Å
356I98.8Very high94.5Very high52 Ų5256.4 Ų56.427%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-134.1160.1-178.471.6-175.4000110.9D195 V196 V289D195-I356 WeakPolarHBondContact O-CA 3.41Å; V196-I356 HydrophobicContact CG1-CG2 4.49Å; V289-I356 HydrophobicContact CB-CG1 4.25Å; V289-I356 PolarHBondContact N-O 3.16Å; V289-I356 PolarHBondContact O-N 3.44Å
357V98.8Very high95.7Very high2 Ų256.5 Ų56.51%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-99.6123.3165-175.60000108.1A191 V192 G194 D195 L197 V286 S287 F288A191-V357 HydrophobicContact CB-CG1 4.38Å; V192-V357 WeakPolarHBondContact O-CG1 3.15Å; G194-V357 PolarHBondContact N-O 2.91Å; D195-V357 HydrophobicContact CB-CB 3.91Å; D195-V357 HydrophobicContact CB-CG2 3.71Å; D195-V357 PolarHBondContact O-N 3.23Å; L197-V357 HydrophobicContact CD2-CG2 3.86Å; L197-V357 HydrophobicContact CG-CG2 4.44Å; V286-V357 HydrophobicContact CB-CG1 3.54Å; V286-V357 HydrophobicContact CG1-CG1 3.79Å; V286-V357 HydrophobicContact CG2-CG1 4.02Å; S287-V357 CarbonylContact O-C 3.57Å; S287-V357 WeakPolarHBondContact O-CA 3.44Å; F288-V357 HydrophobicContact CD1-CB 4.27Å; F288-V357 HydrophobicContact CD1-CG1 3.97Å; F288-V357 HydrophobicContact CD1-CG2 3.75Å; F288-V357 HydrophobicContact CE1-CB 4.41Å; F288-V357 HydrophobicContact CE1-CG1 3.87Å; F288-V357 HydrophobicContact CE1-CG2 3.77Å
358E98.6Very high96.9Very high68 Ų6857.9 Ų57.932%0.31829%0.291SS..EExtended strand (participates in β ladder)trans-113.1164.4176.665.4-174.5177.400110.9V286 S287 V289 G360 R365V286-E358 CarbonylContact C-O 3.56Å; V286-E358 WeakPolarHBondContact CA-O 3.43Å; V286-E358 WeakPolarHBondContact CB-O 3.4Å; S287-E358 PolarHBondContact N-O 3.22Å; S287-E358 PolarHBondContact O-N 3.3Å; V289-E358 HydrophobicContact CG2-CG 3.91Å; V289-E358 WeakPolarHBondContact CG2-OE1 3.42Å; E358-G360 PolarHBondContact O-N 3.2Å; E358-R365 IonicContact OE1-CZ 3.54Å; E358-R365 IonicContact OE1-NE 3.67Å; E358-R365 IonicContact OE1-NH2 3.7Å; E358-R365 PolarHBondContact OE1-NH2 3.08Å; E358-R365 IonicContact OE2-NH2 3.57Å
359K98.6Very high97.7Very high165 Ų16565.7 Ų65.772%0.71732%0.319SS*.EExtended strand (participates in β ladder)trans-62.2130.5167.3-177179.6178.9178.50108.2P193P193-K359 HydrophobicContact CG-CB 4.33Å
360G97.8Very high98Very high23 Ų2364.6 Ų64.624%0.23732%0.316CS..SBendtrans-169.6-162-171.300000113.9E285 S287 E358E285-G360 CarbonylContact C-O 3.42Å; E285-G360 WeakPolarHBondContact CA-O 3.25Å; E285-G360 WeakPolarHBondContact CB-O 3.5Å; E285-G360 PolarHBondContact O-N 2.95Å; E285-G360 VanDerWaalsContact O-O 3.14Å; S287-G360 WeakPolarHBondContact OG-CA 3.34Å; E358-G360 PolarHBondContact O-N 3.2Å
361N97.6Very high98.2Very high118 Ų11869.1 Ų69.163%0.63133%0.329SS*.SBendtrans-117.936.4-169.363.3-11.6000112.5S287 T363S287-N361 PolarHBondContact OG-N 3.41Å; S287-N361 PolarHBondContact OG-OD1 3.07Å; N361-T363 WeakPolarHBondContact OD1-CB 3.39Å; N361-T363 WeakPolarHBondContact OD1-CG2 3.12Å; N361-T363 PolarHBondContact OD1-OG1 2.81Å
362R98.4Very high98.2Very high99 Ų9970.9 Ų70.937%0.37434%0.337SS..SBendtrans60.744179.2-59.3-173-172.7102.61.1112.9A279 Q282 R283 V286A279-R362 WeakPolarHBondContact O-CA 3.44Å; A279-R362 VanDerWaalsContact O-CB 3.3Å; A279-R362 WeakPolarHBondContact O-CB 2.94Å; Q282-R362 VanDerWaalsContact O-CD 3.3Å; Q282-R362 WeakPolarHBondContact O-CD 3.4Å; Q282-R362 PolarHBondContact O-NE 2.86Å; R283-R362 PolarHBondContact O-NH2 2.95Å; V286-R362 WeakPolarHBondContact O-CA 3.18Å; V286-R362 PolarHBondContact O-N 2.96Å
363T98.6Very high98.2Very high64 Ų6472 Ų7239%0.39334%0.344SS..  trans-122.9159.1179.656.80000111.5S287 F288 N361S287-T363 CarbonylContact C-O 3.52Å; S287-T363 WeakPolarHBondContact CA-O 3.47Å; S287-T363 VanDerWaalsContact CB-O 3.23Å; S287-T363 WeakPolarHBondContact CB-O 3.48Å; S287-T363 PolarHBondContact OG-N 3.37Å; S287-T363 PolarHBondContact OG-O 3.2Å; S287-T363 PolarHBondContact OG-OG1 3.32Å; F288-T363 PolarHBondContact N-O 2.98Å; N361-T363 WeakPolarHBondContact OD1-CB 3.39Å; N361-T363 WeakPolarHBondContact OD1-CG2 3.12Å; N361-T363 PolarHBondContact OD1-OG1 2.81Å
364A98.7Very high98.1Very high7 Ų773.2 Ų73.26%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-125.7143170.700000110.9A275 Q276 A279 F288A275-A364 VanDerWaalsContact C-CB 3.48Å; A275-A364 HydrophobicContact CB-CB 3.77Å; A275-A364 WeakPolarHBondContact O-CB 3.03Å; Q276-A364 HydrophobicContact CB-CB 4.43Å; Q276-A364 HydrophobicContact CG-CB 3.85Å; A279-A364 HydrophobicContact CB-CB 4.18Å; F288-A364 HydrophobicContact CB-CB 3.82Å; F288-A364 HydrophobicContact CD2-CB 4.43Å; F288-A364 WeakPolarHBondContact O-CA 3.28Å
365R98.7Very high98Very high115 Ų11574.4 Ų74.443%0.43436%0.356SS..EExtended strand (participates in β ladder)trans-140.7151175.564.2-178.5175.887.53.3111.5F288 V289 I290 E358F288-R365 PolarHBondContact O-N 2.99Å; V289-R365 WeakPolarHBondContact CA-O 3.33Å; V289-R365 HydrophobicContact CG1-CG 4.49Å; V289-R365 HydrophobicContact CG2-CG 4.36Å; V289-R365 VanDerWaalsContact CG2-NH2 3.26Å; I290-R365 PolarHBondContact N-O 2.67Å; E358-R365 IonicContact OE1-CZ 3.54Å; E358-R365 IonicContact OE1-NE 3.67Å; E358-R365 IonicContact OE1-NH2 3.7Å; E358-R365 PolarHBondContact OE1-NH2 3.08Å; E358-R365 IonicContact OE2-NH2 3.57Å
366I98.8Very high97.6Very high24 Ų2477.1 Ų77.112%0.12338%0.377CS..EExtended strand (participates in β ladder)trans-97.2138.9162.3-61.8163.8000106.8I271 L272 I290 L293 P370I271-I366 HydrophobicContact CG2-CD1 4.24Å; L272-I366 HydrophobicContact CB-CD1 4.04Å; L272-I366 HydrophobicContact CD1-CG1 4.33Å; I290-I366 HydrophobicContact CB-CB 4.47Å; I290-I366 HydrophobicContact CB-CG1 3.86Å; I290-I366 HydrophobicContact CD1-CG1 4.07Å; I290-I366 HydrophobicContact CG2-CG1 4.14Å; I290-I366 WeakPolarHBondContact O-CA 3.44Å; L293-I366 HydrophobicContact CD2-CD1 4.45Å; I366-P370 HydrophobicContact CG2-CB 3.63Å; I366-P370 HydrophobicContact CG2-CG 3.75Å
367I98.4Very high96.5Very high48 Ų4875.6 Ų75.625%0.24637%0.371CS..EExtended strand (participates in β ladder)trans-61.9153.1174.965.3173.8000110.9V289 I290 H291 K369 P370V289-I367 HydrophobicContact CG1-CG2 3.74Å; I290-I367 PolarHBondContact O-N 3.48Å; H291-I367 HydrophobicContact CB-CD1 4.35Å; I367-K369 PolarHBondContact O-N 3.42Å; I367-P370 HydrophobicContact CG1-CB 4.28Å; I367-P370 VanDerWaalsContact O-CD 3.25Å; I367-P370 WeakPolarHBondContact O-CD 3.19Å
368D95.6Very high95Very high168 Ų16879.1 Ų79.190%0.89839%0.387SS*.EExtended strand (participates in β ladder)trans-55.4-30.7-173.7-59.8-22.6000114.7
369K96.1Very high92.7Very high187 Ų18778.9 Ų78.981%0.81340%0.397SS*.EExtended strand (participates in β ladder)trans-128.774.7179.4-65.3-178.6-178.3175.50109.3I367I367-K369 PolarHBondContact O-N 3.42Å
370P97.6Very high89.7Confident19 Ų1973.9 Ų73.912%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-66.9140.8-179.430-31.5000109.5H291 L293 I366 I367 I372H291-P370 WeakPolarHBondContact O-CA 3.46Å; L293-P370 HydrophobicContact CD1-CB 4.17Å; L293-P370 HydrophobicContact CD1-CG 4.01Å; L293-P370 HydrophobicContact CG-CB 4.24Å; I366-P370 HydrophobicContact CG2-CB 3.63Å; I366-P370 HydrophobicContact CG2-CG 3.75Å; I367-P370 HydrophobicContact CG1-CB 4.28Å; I367-P370 VanDerWaalsContact O-CD 3.25Å; I367-P370 WeakPolarHBondContact O-CD 3.19Å; P370-I372 PolarHBondContact O-N 2.81Å
371R98.3Very high86.9Confident188 Ų18877.9 Ų77.971%0.70941%0.406SS*.EExtended strand (participates in β ladder)trans-71.5125.1172.5175-179.5172.7175.6-1.4109H291 N292 L293H291-R371 PolarHBondContact O-N 2.86Å; N292-R371 CarbonylContact C-O 3.56Å; N292-R371 WeakPolarHBondContact CA-O 3.42Å; N292-R371 HydrophobicContact CB-CB 3.97Å; N292-R371 WeakPolarHBondContact CB-O 3.17Å; L293-R371 PolarHBondContact N-O 2.82Å
372I98.3Very high83.8Confident41 Ų4179.9 Ų79.921%0.2141%0.412CS..EExtended strand (participates in β ladder)trans-83127.6170.5-58.3-49.9000109.6L293 V295 A300 M313 P370 E374L293-I372 HydrophobicContact CB-CD1 3.81Å; L293-I372 HydrophobicContact CD1-CD1 4.08Å; L293-I372 HydrophobicContact CG-CD1 4.41Å; V295-I372 HydrophobicContact CB-CG2 4.11Å; V295-I372 HydrophobicContact CG2-CD1 4.27Å; V295-I372 HydrophobicContact CG2-CG2 4.19Å; A300-I372 HydrophobicContact CB-CG1 4.43Å; A300-I372 HydrophobicContact CB-CG2 4.06Å; M313-I372 HydrophobicContact CE-CD1 3.39Å; M313-I372 HydrophobicContact CE-CG1 3.44Å; M313-I372 VanDerWaalsContact CE-CG1 3.44Å; M313-I372 HydrophobicContact SD-CD1 3.83Å; M313-I372 HydrophobicContact SD-CG1 4.02Å; P370-I372 PolarHBondContact O-N 2.81Å; I372-E374 HydrophobicContact CG2-CG 4.3Å
373I98.2Very high80.5Confident47 Ų4782.3 Ų82.324%0.24143%0.432CS..EExtended strand (participates in β ladder)trans-99.8101.7168.1-56.3174.2000105.5N292 L293 P294 V295 V375N292-I373 HydrophobicContact CB-CD1 4.19Å; N292-I373 HydrophobicContact CB-CG1 4.38Å; N292-I373 WeakPolarHBondContact OD1-CD1 3.36Å; L293-I373 PolarHBondContact O-N 2.76Å; P294-I373 WeakPolarHBondContact CA-O 3.39Å; V295-I373 PolarHBondContact N-O 3.09Å; I373-V375 PolarHBondContact O-N 3.35Å
374E97.1Very high77.3Confident97 Ų9784.9 Ų84.945%0.45345%0.448SS..EExtended strand (participates in β ladder)trans-67.6117.2175.3-70-80.1155.300109.1A297 K298 I372A297-E374 WeakPolarHBondContact CA-OE2 3.23Å; K298-E374 PolarHBondContact N-OE2 2.57Å; I372-E374 HydrophobicContact CG2-CG 4.3Å
375V96.7Very high73.9Confident26 Ų2691.7 Ų91.716%0.15848%0.483CS..EExtended strand (participates in β ladder)trans-98.7103.6-178.8-176.90000108.6P202 P294 V295 A297 W352 I373P202-V375 HydrophobicContact CB-CB 4.14Å; P202-V375 HydrophobicContact CB-CG1 4.25Å; P202-V375 HydrophobicContact CB-CG2 4.07Å; P202-V375 HydrophobicContact CG-CG1 4.44Å; P294-V375 HydrophobicContact CB-CG2 3.84Å; V295-V375 PolarHBondContact O-N 2.83Å; A297-V375 WeakPolarHBondContact CB-O 3.47Å; A297-V375 PolarHBondContact N-O 3.03Å; W352-V375 HydrophobicContact CH2-CG1 4.21Å; W352-V375 HydrophobicContact CH2-CG2 4.25Å; W352-V375 HydrophobicContact CZ2-CB 4.43Å; W352-V375 HydrophobicContact CZ2-CG1 3.86Å; W352-V375 HydrophobicContact CZ2-CG2 3.62Å; I373-V375 PolarHBondContact O-N 3.35Å
376A89.6Confident70.9Confident61 Ų6191.5 Ų91.550%0.50450%0.497SS..  trans-71.8150.6178.500000111.8
377P77.2Confident67.7Low21 Ų2196.7 Ų96.714%0.13653%0.53CS..  trans-54.4144.2173.4-25.333.7000113L235 E239 A379 A380L235-P377 HydrophobicContact CB-CG 4.06Å; E239-P377 VanDerWaalsContact CD-CA 3.49Å; E239-P377 HydrophobicContact CG-CB 3.52Å; E239-P377 HydrophobicContact CG-CG 3.93Å; E239-P377 VanDerWaalsContact OE1-CA 3.29Å; E239-P377 WeakPolarHBondContact OE1-CA 3.42Å; E239-P377 WeakPolarHBondContact OE1-CB 3.42Å; P377-A379 PolarHBondContact O-N 2.95Å; P377-A380 WeakPolarHBondContact O-CB 3.49Å; P377-A380 PolarHBondContact O-N 2.89Å; P377-A380 VanDerWaalsContact O-N 3.15Å
378Q66.9Low64.8Low75 Ų75100.3 Ų100.335%0.3556%0.556SS.*G310 helixtrans-63.3-32179.7-69.1-173.4-33.500111.6E239 H349 A380 T381E239-Q378 PolarHBondContact OE1-N 3.04Å; H349-Q378 PolarHBondContact ND1-NE2 2.89Å; Q378-A380 VanDerWaalsContact C-N 3.25Å; Q378-A380 PolarHBondContact O-N 2.82Å; Q378-T381 PolarHBondContact O-N 3.33Å; Q378-T381 VanDerWaalsContact O-N 3.15Å; Q378-T381 PolarHBondContact O-OG1 2.75Å
379A50.6Low61.9Low63 Ų6395.7 Ų95.752%0.52155%0.548SS..G310 helixtrans-61-28.2176.600000113.9P377 T381P377-A379 PolarHBondContact O-N 2.95Å; A379-T381 PolarHBondContact O-N 3.08Å
380A35.2Very low59.2Low60 Ų6091.7 Ų91.750%0.49655%0.55SS.*G310 helixtrans-70.4-18.8179.300000113.1P377 Q378P377-A380 WeakPolarHBondContact O-CB 3.49Å; P377-A380 PolarHBondContact O-N 2.89Å; P377-A380 VanDerWaalsContact O-N 3.15Å; Q378-A380 VanDerWaalsContact C-N 3.25Å; Q378-A380 PolarHBondContact O-N 2.82Å
381T37.6Very low56.6Low108 Ų10897.2 Ų97.266%0.66358%0.584SS**G310 helixtrans-89.3-10.5-17758.80000114.5Q378 A379Q378-T381 PolarHBondContact O-N 3.33Å; Q378-T381 VanDerWaalsContact O-N 3.15Å; Q378-T381 PolarHBondContact O-OG1 2.75Å; A379-T381 PolarHBondContact O-N 3.08Å
382Q32.5Very low53.7Low160 Ų16097.3 Ų97.375%0.74861%0.613SS**THydrogen-bonded Turntrans-85.3-11.8178.7-68.1-170.8-1.500114.1
383N29.2Very low51.5Low149 Ų149100.2 Ų100.280%0.79763%0.634SS**THydrogen-bonded Turntrans-9415.8-176.7-79.4-17.2000115.2
384V31.8Very low49.1Very low119 Ų119102.9 Ų102.972%0.72165%0.654SS**  trans-119.872.4174.1-167.50000110.1
385N27.9Very low46.4Very low150 Ų150103.3 Ų103.380%0.80267%0.665SS**PPolyproline II helixtrans-92125155.8-90.2-24.6000108.2T387N385-T387 PolarHBondContact O-N 3.03Å
386P36.3Very low43.4Very low110 Ų110107.8 Ų107.871%0.71470%0.695SS**PPolyproline II helixtrans-67.8126.1172.428.4-30.5000108.4P388P386-P388 WeakPolarHBondContact O-CD 3.37Å
387T31.9Very low40.5Very low134 Ų134110.8 Ų110.882%0.82271%0.707SS**PPolyproline II helixtrans-53.6124.5169.60.10000108.6N385 G389N385-T387 PolarHBondContact O-N 3.03Å; T387-G389 PolarHBondContact O-N 2.99Å; T387-G389 VanDerWaalsContact O-N 3.15Å
388P37.3Very low38.1Very low124 Ų124116.7 Ų116.781%0.80575%0.745SS**PPolyproline II helixtrans-66117.6170.6-13.527.5000107.7P386 A390P386-P388 WeakPolarHBondContact O-CD 3.37Å; P388-A390 PolarHBondContact O-N 3.07Å
389G34.3Very low36Very low70 Ų70119.7 Ų119.772%0.72277%0.773SS**PPolyproline II helixtrans-56.2129.1175.200000110.5T387 T391T387-G389 PolarHBondContact O-N 2.99Å; T387-G389 VanDerWaalsContact O-N 3.15Å; G389-T391 PolarHBondContact O-N 3.07Å
390A39.3Very low34.9Very low104 Ų104124.1 Ų124.186%0.8679%0.793SS**PPolyproline II helixtrans-67.4119.5164.600000108.5P388P388-A390 PolarHBondContact O-N 3.07Å
391T42.7Very low34.9Very low134 Ų134129.4 Ų129.482%0.82282%0.818SS**  trans-122.8118.4156.748.80000108.6G389G389-T391 PolarHBondContact O-N 3.07Å
392S38.3Very low34.7Very low191 Ų191131.4 Ų131.4100%1.33683%0.832SS**  trans-52.30159.852.80000113.3

Retrieved 392 of 392 residues in 484.5 ms (Link to these results)

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