A0A077ZEI8_TRITR Loading...

acid phosphatase

AlphaFold DB , UniProt , Accession A0A077ZEI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 395 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
1M41.4Very low39Very low232 Ų232161.5 Ų161.5100%1.14380%0.801SS**  0121.50-146.6177.5-90.300105.8
2F37.6Very low38.6Very low197 Ų197161.3 Ų161.386%0.86480%0.796SS**  trans64.689.3-169.4-67.6-81.7000117.7
3R36.9Very low38.2Very low248 Ų248158.8 Ų158.894%0.93680%0.796SS**  trans-81.7111.2160.1-85.5-178163.8-175.2-5108.3V5R3-V5 PolarHBondContact O-N 3.37Å
4I40.7Very low38.1Very low150 Ų150157.5 Ų157.577%0.76979%0.791SS**  trans-73.5111.4170.3-65.1172.1000107.1L6I4-L6 HydrophobicContact CG2-CD1 4.29Å; I4-L6 PolarHBondContact O-N 3.28Å
5V42Very low37.8Very low116 Ų116154 Ų15470%0.70379%0.787SS**  trans-83.3105169.9177.60000106.8R3 I7R3-V5 PolarHBondContact O-N 3.37Å; V5-I7 HydrophobicContact CG1-CG1 4.13Å; V5-I7 PolarHBondContact O-N 2.84Å; V5-I7 VanDerWaalsContact O-N 3.16Å
6L37.6Very low38Very low144 Ų144150.5 Ų150.575%0.75479%0.788SS**  trans-69.3103.6168.8-119.693.3000107.8I4 T8I4-L6 HydrophobicContact CG2-CD1 4.29Å; I4-L6 PolarHBondContact O-N 3.28Å; L6-T8 PolarHBondContact O-N 3.29Å
7I41.2Very low38.1Very low134 Ų134144.9 Ų144.969%0.68778%0.775SS**  trans-83.297.5167.4-61.7177.2000106.5V5 F9V5-I7 HydrophobicContact CG1-CG1 4.13Å; V5-I7 PolarHBondContact O-N 2.84Å; V5-I7 VanDerWaalsContact O-N 3.16Å; I7-F9 HydrophobicContact CG2-CD2 4.22Å; I7-F9 HydrophobicContact CG2-CE2 4.35Å; I7-F9 PolarHBondContact O-N 3.27Å; I7-F9 VanDerWaalsContact O-N 3.16Å
8T39.8Very low38.7Very low111 Ų111141.3 Ų141.368%0.68176%0.759SS**  trans-70.9102.1169.338.40000109.1L6 L10L6-T8 PolarHBondContact O-N 3.29Å; T8-L10 PolarHBondContact O-N 3.38Å
9F38.5Very low39.7Very low180 Ų180138.1 Ų138.179%0.78974%0.739SS**  trans-66.198.9163.3-98.1-93.3000108.6I7 T11I7-F9 HydrophobicContact CG2-CD2 4.22Å; I7-F9 HydrophobicContact CG2-CE2 4.35Å; I7-F9 PolarHBondContact O-N 3.27Å; I7-F9 VanDerWaalsContact O-N 3.16Å; F9-T11 VanDerWaalsContact C-N 3.33Å; F9-T11 PolarHBondContact O-N 3.06Å
10L37.6Very low41Very low152 Ų152140 Ų14080%0.79674%0.743SS**  trans-67.495161.3-99.5129.8000107.6T8 Q12T8-L10 PolarHBondContact O-N 3.38Å; L10-Q12 PolarHBondContact O-N 3.25Å
11T36.1Very low43.5Very low113 Ų113136.2 Ų136.269%0.69372%0.723SS**  trans-71.9101.3160.440.10000106.9F9 T13F9-T11 VanDerWaalsContact C-N 3.33Å; F9-T11 PolarHBondContact O-N 3.06Å; T11-T13 VanDerWaalsContact C-N 3.34Å; T11-T13 PolarHBondContact O-N 3.26Å
12Q33.7Very low46.1Very low158 Ų158125.7 Ų125.774%0.73867%0.672SS**  trans-65.698.7165.6-81.9-177-6.400108L10 I14L10-Q12 PolarHBondContact O-N 3.25Å; Q12-I14 VanDerWaalsContact C-N 3.26Å; Q12-I14 HydrophobicContact CB-CD1 4.49Å; Q12-I14 HydrophobicContact CB-CG1 4.41Å; Q12-I14 PolarHBondContact O-N 3.22Å
13T33.3Very low48.9Very low129 Ų129119.9 Ų119.979%0.79164%0.644SS**  trans-74.880.8165.551.30000108.8T11T11-T13 VanDerWaalsContact C-N 3.34Å; T11-T13 PolarHBondContact O-N 3.26Å
14I37.1Very low51.8Low141 Ų141108.1 Ų108.172%0.72360%0.6SS**  trans-107.382.8165.3-55172.3000106.4Q12Q12-I14 VanDerWaalsContact C-N 3.26Å; Q12-I14 HydrophobicContact CB-CD1 4.49Å; Q12-I14 HydrophobicContact CB-CG1 4.41Å; Q12-I14 PolarHBondContact O-N 3.22Å
15S33.5Very low54.5Low105 Ų105101 Ų10173%0.73456%0.563SS**  trans-154.68.6171.3-169.90000114.8
16A41Very low57.2Low98 Ų9895.4 Ų95.481%0.8153%0.529SS*.SBendtrans-100.5-9.1-177.500000114.6
17G40Very low60.1Low55 Ų5588.6 Ų88.657%0.56749%0.494SS*.SBendtrans-94.5-13.3-176.200000115.8
18V48.6Very low62.9Low81 Ų8182.2 Ų82.249%0.49146%0.461SS..SBendtrans-79.1-32.9-170.3-178.70000112.2Y291V18-Y291 HydrophobicContact CG1-CE1 3.8Å; V18-Y291 WeakPolarHBondContact O-CE1 3.42Å
19E58.3Low65.7Low79 Ų7976.9 Ų76.937%0.36943%0.428SS..THydrogen-bonded Turntrans-78.2-27.2-173.5-77.4-173.7137.700115.2N21 G98E19-N21 VanDerWaalsContact C-N 3.29Å; E19-N21 PolarHBondContact O-N 3.33Å; E19-G98 VanDerWaalsContact CD-CA 3.47Å; E19-G98 WeakPolarHBondContact OE1-CA 3.44Å; E19-G98 PolarHBondContact OE1-N 2.92Å; E19-G98 WeakPolarHBondContact OE2-CA 3.4Å
20Q66.3Low68.4Low176 Ų17668.3 Ų68.382%0.82239%0.391SS*.THydrogen-bonded Turntrans-72.8-21.6-175.7-81.2-172.6-3.600113.8
21N92.2Very high71.2Confident61 Ų6161.1 Ų61.133%0.32635%0.353SS..SBendtrans-99.3-10.9-173.7-71-9.2000113.3E19 R23 Y291 Q292E19-N21 VanDerWaalsContact C-N 3.29Å; E19-N21 PolarHBondContact O-N 3.33Å; N21-R23 PolarHBondContact O-N 3.24Å; N21-Y291 HydrophobicContact CB-CD1 4.33Å; N21-Y291 CarbonylContact O-C 3.51Å; N21-Y291 WeakPolarHBondContact O-CA 3.47Å; N21-Q292 WeakPolarHBondContact CB-O 3.34Å; N21-Q292 PolarHBondContact O-N 3.49Å; N21-Q292 PolarHBondContact OD1-O 3.47Å
22L96.3Very high73.9Confident11 Ų1155.7 Ų55.76%0.05832%0.32CS..EExtended strand (participates in β ladder)trans-67.2132.4177.6-172.761.6000110.1Y96 F99 E289 Y291L22-Y96 HydrophobicContact CD2-CD1 3.85Å; L22-Y96 HydrophobicContact CD2-CE1 4.04Å; L22-F99 HydrophobicContact CB-CD2 4.07Å; L22-F99 HydrophobicContact CB-CE2 4.34Å; L22-F99 HydrophobicContact CB-CG 4.24Å; L22-F99 HydrophobicContact CD2-CB 4.12Å; L22-F99 HydrophobicContact CD2-CD1 3.52Å; L22-F99 HydrophobicContact CD2-CD2 4.38Å; L22-F99 HydrophobicContact CD2-CE1 3.96Å; L22-F99 HydrophobicContact CD2-CG 3.75Å; L22-F99 HydrophobicContact CG-CD1 4.01Å; L22-F99 HydrophobicContact CG-CD2 4.24Å; L22-F99 HydrophobicContact CG-CE1 4.03Å; L22-F99 HydrophobicContact CG-CE2 4.3Å; L22-F99 HydrophobicContact CG-CG 4.1Å; L22-F99 HydrophobicContact CG-CZ 4.18Å; L22-F99 WeakPolarHBondContact O-CD2 3.39Å; L22-F99 WeakPolarHBondContact O-CE2 3.48Å; L22-E289 HydrophobicContact CD1-CB 3.8Å; L22-E289 HydrophobicContact CD1-CG 4.28Å; L22-Y291 HydrophobicContact CB-CD1 4.21Å; L22-Y291 HydrophobicContact CB-CE1 3.98Å; L22-Y291 HydrophobicContact CD1-CD1 4.3Å; L22-Y291 HydrophobicContact CD1-CE1 3.96Å; L22-Y291 HydrophobicContact CD1-CE2 4.23Å; L22-Y291 HydrophobicContact CG-CE1 4.49Å
23R96.5Very high76.6Confident76 Ų7648.7 Ų48.729%0.28729%0.289SS..EExtended strand (participates in β ladder)trans-114.2-36.8-174.8-59.7-59.4-61.1-170.70.5113.2N21 K243 E250 L290 Q292 Y297N21-R23 PolarHBondContact O-N 3.24Å; R23-K243 HydrophobicContact CB-CG 4.32Å; R23-K243 WeakPolarHBondContact O-CE 3.32Å; R23-E250 IonicContact CZ-OE2 3.21Å; R23-E250 IonicContact NH2-OE2 2.84Å; R23-E250 PolarHBondContact NH2-OE2 3.1Å; R23-L290 HydrophobicContact CB-CD2 4.32Å; R23-L290 PolarHBondContact N-O 2.7Å; R23-Q292 HydrophobicContact CG-CB 3.77Å; R23-Y297 HydrophobicContact CG-CD1 4.43Å; R23-Y297 HydrophobicContact CG-CE1 4.04Å
24I98Very high79.2Confident0 Ų042.7 Ų42.70%025%0.252CS..EExtended strand (participates in β ladder)trans-159.1149.2175.4-170.5165.8000109.3L240 K243 L248 L252 K253 V255 L290I24-L240 HydrophobicContact CG2-CD2 3.59Å; I24-K243 HydrophobicContact CB-CD 4.24Å; I24-K243 HydrophobicContact CB-CG 4.13Å; I24-K243 HydrophobicContact CD1-CD 4.36Å; I24-K243 HydrophobicContact CG2-CB 4.05Å; I24-K243 HydrophobicContact CG2-CD 4.42Å; I24-K243 HydrophobicContact CG2-CG 3.81Å; I24-L248 HydrophobicContact CD1-CD2 3.75Å; I24-L252 HydrophobicContact CD1-CD2 4.34Å; I24-L252 HydrophobicContact CD1-CG 4.18Å; I24-K253 CarbonylContact C-O 3.56Å; I24-K253 WeakPolarHBondContact CA-O 3.28Å; I24-V255 HydrophobicContact CD1-CG2 3.96Å; I24-V255 HydrophobicContact CG1-CG2 4.39Å; I24-L290 HydrophobicContact CG2-CB 3.69Å; I24-L290 HydrophobicContact CG2-CD2 3.84Å; I24-L290 HydrophobicContact CG2-CG 4.43Å; I24-L290 PolarHBondContact O-N 3.16Å
25V98.1Very high81.5Confident0 Ų036 Ų360%022%0.218CC..EExtended strand (participates in β ladder)trans-125.3136.2170.560.90000110.9V27 Y96 K253 Y254 V255 F288 E289V25-V27 HydrophobicContact CG2-CG2 4.32Å; V25-Y96 HydrophobicContact CB-CE1 4.45Å; V25-Y96 HydrophobicContact CG1-CE2 4.37Å; V25-Y96 HydrophobicContact CG2-CE1 4.2Å; V25-Y96 HydrophobicContact CG2-CE2 4.2Å; V25-Y96 WeakPolarHBondContact CG2-OH 3.35Å; V25-K253 PolarHBondContact N-O 3.48Å; V25-Y254 HydrophobicContact CG1-CD2 3.41Å; V25-Y254 VanDerWaalsContact CG1-CD2 3.41Å; V25-Y254 HydrophobicContact CG1-CE2 4.14Å; V25-Y254 HydrophobicContact CG1-CG 4.11Å; V25-Y254 WeakPolarHBondContact O-CA 3.49Å; V25-V255 PolarHBondContact O-N 3.11Å; V25-F288 CarbonylContact C-O 3.54Å; V25-F288 WeakPolarHBondContact CA-O 3.36Å; V25-E289 HydrophobicContact CB-CG 4.43Å; V25-E289 HydrophobicContact CG2-CG 3.9Å
26H98.7Very high83.7Confident0 Ų031.1 Ų31.10%018%0.183CC..EExtended strand (participates in β ladder)trans-106.1130.9165.6-69.3-118.2000109I28 I236 V255 Y257 M287 F288H26-I28 HydrophobicContact CB-CD1 4.34Å; H26-I236 HydrophobicContact CB-CG1 4.48Å; H26-I236 HydrophobicContact CB-CG2 4.34Å; H26-V255 CarbonylContact C-O 3.51Å; H26-V255 VanDerWaalsContact CA-O 3.26Å; H26-V255 WeakPolarHBondContact CA-O 3.46Å; H26-Y257 HydrophobicContact CB-CE2 4.37Å; H26-Y257 AromaticContact ND1-CE2 3.62Å; H26-Y257 PolarHBondContact ND1-OH 2.93Å; H26-M287 CarbonylContact O-C 3.6Å; H26-M287 VanDerWaalsContact O-CA 3.29Å; H26-M287 WeakPolarHBondContact O-CA 3.4Å; H26-F288 HydrophobicContact CB-CB 4.27Å; H26-F288 HydrophobicContact CB-CD2 4.4Å; H26-F288 PolarHBondContact N-O 3.07Å; H26-F288 PolarHBondContact O-N 2.91Å
27V98.5Very high85.7Confident0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-128124.4-178-1220000109.6V25 W29 L92 Y254 V255 A256 Y257 C285 L286 M287V25-V27 HydrophobicContact CG2-CG2 4.32Å; V27-W29 HydrophobicContact CB-CE3 4.2Å; V27-W29 HydrophobicContact CB-CZ3 4.05Å; V27-L92 HydrophobicContact CG1-CD1 4.36Å; V27-L92 HydrophobicContact CG1-CD2 3.78Å; V27-Y254 HydrophobicContact CG2-CD1 4.43Å; V27-Y254 HydrophobicContact CG2-CD2 4.05Å; V27-Y254 HydrophobicContact CG2-CE1 3.86Å; V27-Y254 HydrophobicContact CG2-CE2 3.38Å; V27-Y254 WeakPolarHBondContact CG2-OH 3.5Å; V27-V255 PolarHBondContact N-O 3.21Å; V27-A256 CarbonylContact O-C 3.58Å; V27-A256 WeakPolarHBondContact O-CA 3.44Å; V27-Y257 PolarHBondContact O-N 3.24Å; V27-C285 VanDerWaalsContact CG1-SG 3.55Å; V27-L286 WeakPolarHBondContact CA-O 3.13Å; V27-M287 HydrophobicContact CG1-CB 4.39Å; V27-M287 HydrophobicContact CG1-CG 3.38Å
28I98.5Very high87.8Confident0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-124.4120.2-176.5-52.576.6000107.5H26 I236 Y257 T263 L264 L267 C285 L286 F288H26-I28 HydrophobicContact CB-CD1 4.34Å; I28-I236 HydrophobicContact CD1-CD1 3.91Å; I28-I236 HydrophobicContact CG1-CD1 4.41Å; I28-Y257 WeakPolarHBondContact CA-O 3.39Å; I28-Y257 HydrophobicContact CD1-CD2 4.23Å; I28-Y257 HydrophobicContact CG1-CD2 3.77Å; I28-Y257 HydrophobicContact CG1-CG 4.28Å; I28-T263 HydrophobicContact CG2-CG2 4.23Å; I28-L264 HydrophobicContact CG2-CD1 3.98Å; I28-L267 HydrophobicContact CB-CD1 4.24Å; I28-L267 HydrophobicContact CD1-CD1 4.48Å; I28-L267 HydrophobicContact CG1-CD1 3.99Å; I28-L267 HydrophobicContact CG2-CD1 4.05Å; I28-C285 CarbonylContact O-C 3.43Å; I28-C285 WeakPolarHBondContact O-CA 3.14Å; I28-L286 PolarHBondContact N-O 3.09Å; I28-L286 PolarHBondContact O-N 2.63Å; I28-F288 HydrophobicContact CD1-CD2 3.74Å; I28-F288 HydrophobicContact CD1-CE2 3.72Å
29W98.4Very high89.4Confident0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-128.6149.6-179.861.688.5000113.8V27 Q85 L88 A122 N125 A256 Y257 S258 A259 A284 C285V27-W29 HydrophobicContact CB-CE3 4.2Å; V27-W29 HydrophobicContact CB-CZ3 4.05Å; W29-Q85 VanDerWaalsContact CD1-OE1 3.22Å; W29-Q85 VanDerWaalsContact NE1-OE1 3.12Å; W29-L88 HydrophobicContact CB-CD2 3.8Å; W29-L88 HydrophobicContact CG-CD2 4.01Å; W29-A122 HydrophobicContact CZ2-CB 4.3Å; W29-N125 HydrophobicContact CZ2-CB 4.04Å; W29-A256 HydrophobicContact CH2-CB 3.35Å; W29-A256 HydrophobicContact CZ3-CB 3.46Å; W29-A256 VanDerWaalsContact CZ3-CB 3.46Å; W29-Y257 PolarHBondContact N-O 2.91Å; W29-S258 VanDerWaalsContact NE1-CB 3.35Å; W29-S258 PolarHBondContact NE1-OG 2.86Å; W29-A259 PolarHBondContact O-N 3.14Å; W29-A284 CarbonylContact C-O 3.53Å; W29-A284 WeakPolarHBondContact CA-O 3.39Å; W29-A284 WeakPolarHBondContact CB-O 3.3Å; W29-C285 HydrophobicContact CB-CB 4.28Å
30R96.8Very high90.5Very high0 Ų026.7 Ų26.70%013%0.128CC..EExtended strand (participates in β ladder)trans-71144.1163.9-175.3-178.4-177.4-152-9.9108.7Q85 E261 L264 P280 E281 S283 A284R30-Q85 PolarHBondContact O-NE2 3.28Å; R30-E261 HydrophobicContact CG-CB 4.39Å; R30-E261 IonicContact CZ-OE2 3.66Å; R30-E261 IonicContact NE-OE2 3.48Å; R30-E261 PolarHBondContact NE-OE2 3.16Å; R30-E261 IonicContact NH2-OE2 2.88Å; R30-L264 HydrophobicContact CB-CD1 4.49Å; R30-L264 HydrophobicContact CB-CD2 4.42Å; R30-P280 PolarHBondContact NH1-O 2.95Å; R30-E281 VanDerWaalsContact CD-O 3.3Å; R30-E281 WeakPolarHBondContact CD-O 3.43Å; R30-E281 VanDerWaalsContact NH1-C 3.28Å; R30-S283 WeakPolarHBondContact O-CA 3.31Å; R30-A284 PolarHBondContact N-O 3.45Å
31H95.8Very high91.4Very high0 Ų022.8 Ų22.80%012%0.118CC..  trans-52.2160.6168.159.273.9000112.6R34 L58 R117 T118 S121 A259 H260 E261 F282 S283H31-R34 VanDerWaalsContact CE1-CD 3.46Å; H31-R34 WeakPolarHBondContact CE1-CD 3.41Å; H31-R34 PolarHBondContact CE1-NE 3.05Å; H31-R34 VanDerWaalsContact CE1-NE 3.28Å; H31-L58 HydrophobicContact CB-CD1 4.44Å; H31-R117 HydrophobicContact CB-CG 4.48Å; H31-R117 WeakPolarHBondContact NE2-CD 3.21Å; H31-R117 PolarHBondContact NE2-NE 2.88Å; H31-T118 HydrophobicContact CB-CG2 4.07Å; H31-S121 WeakPolarHBondContact CA-OG 3.32Å; H31-S121 WeakPolarHBondContact CB-OG 3.29Å; H31-A259 PolarHBondContact N-O 2.89Å; H31-A259 VanDerWaalsContact N-O 3.16Å; H31-H260 AromaticContact CD2-ND1 3.77Å; H31-H260 AromaticContact NE2-ND1 4Å; H31-E261 IonicContact NE2-OE2 3.63Å; H31-F282 AromaticContact CE1-CE1 3.74Å; H31-F282 AromaticContact ND1-CD1 3.97Å; H31-F282 AromaticContact ND1-CE1 3.89Å; H31-S283 PolarHBondContact O-N 3.22Å; H31-S283 VanDerWaalsContact O-N 3.12Å
32G92.9Very high90.9Very high0 Ų024.5 Ų24.50%013%0.127CC..  trans-70-179.2171.300000113.1R34 L58 S121 F282 S283G32-R34 PolarHBondContact O-N 3.37Å; G32-L58 VanDerWaalsContact C-CD1 3.49Å; G32-L58 VanDerWaalsContact O-CD1 3.3Å; G32-L58 WeakPolarHBondContact O-CD1 3.49Å; G32-S121 PolarHBondContact N-OG 3.45Å; G32-F282 VanDerWaalsContact C-CD1 3.44Å; G32-F282 VanDerWaalsContact O-CD1 3.28Å; G32-F282 WeakPolarHBondContact O-CD1 3.31Å; G32-S283 WeakPolarHBondContact CA-OG 3.48Å
33A90.1Very high89.8Confident10 Ų1025.3 Ų25.38%0.08313%0.131CC..  trans-51.4136.2175.800000112.2L58 T59 G81 F282A33-L58 WeakPolarHBondContact O-CD1 3.4Å; A33-T59 PolarHBondContact O-N 2.92Å; A33-T59 PolarHBondContact O-OG1 3.26Å; A33-T59 VanDerWaalsContact O-OG1 3.08Å; A33-G81 VanDerWaalsContact O-CA 3.27Å; A33-G81 WeakPolarHBondContact O-CA 3.37Å; A33-G81 PolarHBondContact O-N 3.43Å; A33-F282 HydrophobicContact CB-CD2 3.95Å; A33-F282 HydrophobicContact CB-CE2 4.04Å; A33-F282 HydrophobicContact CB-CG 4.21Å; A33-F282 HydrophobicContact CB-CZ 4.37Å
34R88Confident88.5Confident4 Ų426.6 Ų26.62%0.01515%0.152CC..BIsolated β-bridgetrans-133.5165.1-17660.3166.1172.270.62111.3H31 G32 E57 Y212 D216 E261 F282H31-R34 VanDerWaalsContact CE1-CD 3.46Å; H31-R34 WeakPolarHBondContact CE1-CD 3.41Å; H31-R34 PolarHBondContact CE1-NE 3.05Å; H31-R34 VanDerWaalsContact CE1-NE 3.28Å; G32-R34 PolarHBondContact O-N 3.37Å; R34-E57 CarbonylContact C-O 3.57Å; R34-E57 WeakPolarHBondContact CA-O 3.29Å; R34-E57 VanDerWaalsContact CB-O 3.27Å; R34-E57 WeakPolarHBondContact CB-O 3.25Å; R34-Y212 PolarHBondContact NH2-OH 3.23Å; R34-D216 IonicContact CZ-OD1 3.69Å; R34-D216 VanDerWaalsContact CZ-OD1 3.23Å; R34-D216 IonicContact NH1-OD1 3.19Å; R34-D216 PolarHBondContact NH1-OD1 3.47Å; R34-D216 IonicContact NH1-OD2 2.68Å; R34-D216 PolarHBondContact NH1-OD2 2.85Å; R34-D216 IonicContact NH2-OD1 3.71Å; R34-D216 PolarHBondContact NH2-OD1 3.25Å; R34-E261 IonicContact NH2-OE1 3.9Å; R34-F282 HydrophobicContact CG-CE1 3.98Å; R34-F282 HydrophobicContact CG-CZ 4.17Å
35A84.4Confident87Confident1 Ų129.6 Ų29.61%0.00817%0.17CC..  trans-61.4153.5162.200000110.5W51 G54 G56 E57A35-W51 HydrophobicContact CB-CB 4.07Å; A35-W51 HydrophobicContact CB-CD2 3.56Å; A35-W51 HydrophobicContact CB-CE3 3.49Å; A35-W51 VanDerWaalsContact CB-CE3 3.49Å; A35-W51 HydrophobicContact CB-CG 3.82Å; A35-W51 HydrophobicContact CB-CZ3 4.12Å; A35-G54 WeakPolarHBondContact CB-O 3.28Å; A35-G56 PolarHBondContact O-N 3.46Å; A35-E57 PolarHBondContact N-O 2.84Å
36P80.2Confident85.6Confident1 Ų130.9 Ų30.91%0.00618%0.179CC..  trans-51.7147.9168.3-2735.7000111.4Q38 L39 W51 L55 G56 D216 P217P36-Q38 VanDerWaalsContact C-N 3.3Å; P36-Q38 WeakPolarHBondContact CB-O 3.31Å; P36-L39 HydrophobicContact CB-CD2 4.17Å; P36-L39 HydrophobicContact CG-CD2 4.18Å; P36-W51 HydrophobicContact CG-CZ2 3.96Å; P36-L55 CarbonylContact O-C 3.5Å; P36-L55 WeakPolarHBondContact O-CA 3.46Å; P36-L55 VanDerWaalsContact O-CB 3.28Å; P36-L55 WeakPolarHBondContact O-CB 3.26Å; P36-G56 PolarHBondContact O-N 3.43Å; P36-D216 WeakPolarHBondContact CA-OD2 3.44Å; P36-P217 HydrophobicContact CB-CB 4.43Å
37L83.8Confident84.3Confident66 Ų6636.8 Ų36.835%0.34621%0.205SC..SBendtrans-67.5-37174.8-64.1179.2000111.2Y212 D216L37-Y212 HydrophobicContact CD1-CE1 4.16Å; L37-D216 PolarHBondContact N-OD2 2.97Å
38Q83.1Confident83.2Confident86 Ų8640.2 Ų40.240%0.40223%0.229SC..  trans-145.4175.7176.959.3-176.8-1.800110.5P36 D213 P217P36-Q38 VanDerWaalsContact C-N 3.3Å; P36-Q38 WeakPolarHBondContact CB-O 3.31Å; Q38-D213 PolarHBondContact NE2-OD1 3.45Å; Q38-D213 PolarHBondContact NE2-OD2 3.28Å; Q38-P217 WeakPolarHBondContact O-CG 3.3Å
39L81.9Confident82.2Confident45 Ų4544.9 Ų44.924%0.23626%0.261CS..  trans-127.3142.7175.2-61.1174.1000107.9P36 S46 L55P36-L39 HydrophobicContact CB-CD2 4.17Å; P36-L39 HydrophobicContact CG-CD2 4.18Å; L39-S46 WeakPolarHBondContact CD1-O 3.3Å; L39-L55 HydrophobicContact CD1-CD1 4.43Å; L39-L55 HydrophobicContact CD1-CD2 4.23Å; L39-L55 HydrophobicContact CD2-CD2 4.37Å; L39-L55 HydrophobicContact CG-CD1 4.2Å; L39-L55 HydrophobicContact CG-CD2 4.1Å
40F82.1Confident81.1Confident23 Ų2349.5 Ų49.510%0.10128%0.281CS..  trans-80149.8177.153.1-99.4000111.6L42 D43 T201 L203 P217 L218F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 2.89Å; F40-L42 VanDerWaalsContact O-N 3.16Å; F40-D43 HydrophobicContact CD2-CB 3.65Å; F40-D43 VanDerWaalsContact CD2-N 3.32Å; F40-D43 HydrophobicContact CE1-CB 4.35Å; F40-D43 HydrophobicContact CE2-CB 3.41Å; F40-D43 VanDerWaalsContact CE2-CB 3.41Å; F40-D43 HydrophobicContact CG-CB 4.23Å; F40-D43 HydrophobicContact CZ-CB 3.78Å; F40-D43 WeakPolarHBondContact O-CB 3.35Å; F40-D43 PolarHBondContact O-N 3.32Å; F40-T201 HydrophobicContact CD1-CG2 4.24Å; F40-T201 HydrophobicContact CD2-CG2 3.91Å; F40-T201 HydrophobicContact CE1-CG2 4.47Å; F40-T201 HydrophobicContact CE2-CG2 4.14Å; F40-T201 HydrophobicContact CG-CG2 3.98Å; F40-T201 HydrophobicContact CZ-CG2 4.43Å; F40-L203 HydrophobicContact CB-CD1 3.92Å; F40-L203 HydrophobicContact CB-CD2 4.5Å; F40-L203 HydrophobicContact CB-CG 4.05Å; F40-P217 HydrophobicContact CD1-CB 3.9Å; F40-P217 HydrophobicContact CD1-CG 3.97Å; F40-P217 HydrophobicContact CE1-CB 3.88Å; F40-P217 HydrophobicContact CE1-CG 4.43Å; F40-L218 HydrophobicContact CE1-CD2 4.2Å; F40-L218 HydrophobicContact CE1-CG 4.29Å; F40-L218 HydrophobicContact CZ-CD2 4.29Å
41P84.3Confident80.2Confident95 Ų9550.6 Ų50.662%0.61729%0.286SS*.THydrogen-bonded Turntrans-54.1-38.1-170.7-29.634.2000115.6D43 T201 L203P41-D43 VanDerWaalsContact C-N 3.33Å; P41-T201 VanDerWaalsContact CD-O 3.29Å; P41-T201 WeakPolarHBondContact CD-O 3.3Å; P41-L203 HydrophobicContact CG-CD2 4.31Å
42L82.9Confident79.4Confident97 Ų9754.4 Ų54.451%0.50831%0.311SS..THydrogen-bonded Turntrans-89.17.1-178.4-61.3-179000113.7F40 S44 N199 Q200 T201F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 2.89Å; F40-L42 VanDerWaalsContact O-N 3.16Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.34Å; L42-N199 WeakPolarHBondContact CD1-O 3.5Å; L42-Q200 WeakPolarHBondContact CB-O 3.33Å; L42-T201 WeakPolarHBondContact CB-O 3.38Å; L42-T201 PolarHBondContact N-O 2.99Å
43D73.6Confident78.9Confident27 Ų2758.6 Ų58.614%0.14433%0.333CS..  trans-70.889.6172.2-163.6-18.9000110.1F40 P41 V45 S46F40-D43 HydrophobicContact CD2-CB 3.65Å; F40-D43 VanDerWaalsContact CD2-N 3.32Å; F40-D43 HydrophobicContact CE1-CB 4.35Å; F40-D43 HydrophobicContact CE2-CB 3.41Å; F40-D43 VanDerWaalsContact CE2-CB 3.41Å; F40-D43 HydrophobicContact CG-CB 4.23Å; F40-D43 HydrophobicContact CZ-CB 3.78Å; F40-D43 WeakPolarHBondContact O-CB 3.35Å; F40-D43 PolarHBondContact O-N 3.32Å; P41-D43 VanDerWaalsContact C-N 3.33Å; D43-V45 PolarHBondContact O-N 3.44Å; D43-V45 PolarHBondContact OD1-N 2.97Å; D43-S46 PolarHBondContact OD1-N 3.35Å; D43-S46 WeakPolarHBondContact OD2-CB 3.27Å; D43-S46 PolarHBondContact OD2-OG 2.87Å
44S67.8Low78.7Confident104 Ų10459.4 Ų59.473%0.72734%0.342SS*.SBendtrans-70.8-16.2176.963.20000113.1L42L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.34Å
45V67.3Low78.6Confident63 Ų6362 Ų6238%0.38236%0.356SS..SBendtrans-97.6-49.4-171.1179.10000110.8D43 K47 K50 F66D43-V45 PolarHBondContact O-N 3.44Å; D43-V45 PolarHBondContact OD1-N 2.97Å; V45-K47 PolarHBondContact O-N 3.46Å; V45-K50 WeakPolarHBondContact O-CE 3.38Å; V45-K50 PolarHBondContact O-NZ 3.28Å; V45-F66 HydrophobicContact CG1-CB 4.49Å
46S67.7Low78.7Confident27 Ų2762.2 Ų62.219%0.18936%0.359CS..  trans-83.1116.1179.4-49.20000109.3L39 D43L39-S46 WeakPolarHBondContact CD1-O 3.3Å; D43-S46 PolarHBondContact OD1-N 3.35Å; D43-S46 WeakPolarHBondContact OD2-CB 3.27Å; D43-S46 PolarHBondContact OD2-OG 2.87Å
47K71.7Confident79.2Confident123 Ų12364.3 Ų64.354%0.53537%0.368SS..  trans-111.3144.3170-65.6-174.4179.3-175.50108V45 S49 K50V45-K47 PolarHBondContact O-N 3.46Å; K47-S49 PolarHBondContact O-N 2.9Å; K47-S49 VanDerWaalsContact O-N 3.13Å; K47-K50 HydrophobicContact CB-CG 4.43Å; K47-K50 WeakPolarHBondContact O-CA 3.37Å; K47-K50 VanDerWaalsContact O-CB 3.27Å; K47-K50 WeakPolarHBondContact O-CB 3.26Å; K47-K50 PolarHBondContact O-N 3.33Å
48S75.5Confident79.5Confident73 Ų7361.4 Ų61.451%0.5135%0.353SS..G310 helixtrans-53.4-34.4175.855.40000112.2K50 W51S48-K50 PolarHBondContact O-N 3.31Å; S48-K50 VanDerWaalsContact O-N 3.12Å; S48-W51 PolarHBondContact O-N 2.9Å
49S78.5Confident79.6Confident97 Ų9758 Ų5868%0.67834%0.338SS*.G310 helixtrans-62.2-15.8174.360.30000114.8K47K47-S49 PolarHBondContact O-N 2.9Å; K47-S49 VanDerWaalsContact O-N 3.13Å
50K75.5Confident79.3Confident97 Ų9757.9 Ų57.942%0.42234%0.341SS..G310 helixtrans-82.52.7171-62.5-174.5175.3179.10112.8V45 K47 S48 R63V45-K50 WeakPolarHBondContact O-CE 3.38Å; V45-K50 PolarHBondContact O-NZ 3.28Å; K47-K50 HydrophobicContact CB-CG 4.43Å; K47-K50 WeakPolarHBondContact O-CA 3.37Å; K47-K50 VanDerWaalsContact O-CB 3.27Å; K47-K50 WeakPolarHBondContact O-CB 3.26Å; K47-K50 PolarHBondContact O-N 3.33Å; S48-K50 PolarHBondContact O-N 3.31Å; S48-K50 VanDerWaalsContact O-N 3.12Å; K50-R63 VanDerWaalsContact O-CD 3.22Å; K50-R63 WeakPolarHBondContact O-CD 3.36Å; K50-R63 VanDerWaalsContact O-CZ 3.22Å; K50-R63 PolarHBondContact O-NE 2.88Å; K50-R63 PolarHBondContact O-NH1 2.9Å
51W77.9Confident78.1Confident23 Ų2360.6 Ų60.69%0.08736%0.359CS..SBendtrans-118.898.5174.2-56.6105.3000107.7A35 P36 S48 N53 G54 L55 T59 R63A35-W51 HydrophobicContact CB-CB 4.07Å; A35-W51 HydrophobicContact CB-CD2 3.56Å; A35-W51 HydrophobicContact CB-CE3 3.49Å; A35-W51 VanDerWaalsContact CB-CE3 3.49Å; A35-W51 HydrophobicContact CB-CG 3.82Å; A35-W51 HydrophobicContact CB-CZ3 4.12Å; P36-W51 HydrophobicContact CG-CZ2 3.96Å; S48-W51 PolarHBondContact O-N 2.9Å; W51-N53 PolarHBondContact O-N 3.5Å; W51-G54 WeakPolarHBondContact O-CA 3.43Å; W51-G54 PolarHBondContact O-N 3.32Å; W51-L55 VanDerWaalsContact CD1-CD2 3.41Å; W51-L55 HydrophobicContact CG-CD2 4.06Å; W51-T59 HydrophobicContact CZ3-CG2 4.15Å; W51-R63 HydrophobicContact CZ3-CB 4.45Å
52P78.3Confident76.4Confident81 Ų8158.1 Ų58.153%0.52635%0.347SS..THydrogen-bonded Turntrans-64.9-30.7-167.124.8-32.8000112.7G54P52-G54 VanDerWaalsContact C-N 3.35Å
53N81.7Confident74.9Confident87 Ų8758.2 Ų58.247%0.46534%0.341SS..THydrogen-bonded Turntrans-88-7.7174.7-59.6-22000112.2W51 E57 L58 S60W51-N53 PolarHBondContact O-N 3.5Å; N53-E57 HydrophobicContact CB-CB 3.69Å; N53-E57 HydrophobicContact CB-CG 4.06Å; N53-E57 VanDerWaalsContact O-CG 3.26Å; N53-E57 WeakPolarHBondContact O-CG 3.33Å; N53-L58 PolarHBondContact ND2-O 2.85Å; N53-S60 PolarHBondContact ND2-OG 3.47Å
54G85.3Confident73.5Confident27 Ų2765.4 Ų65.428%0.27837%0.366SS..  trans98.1176.1-173.100000113.6A35 W51 P52A35-G54 WeakPolarHBondContact CB-O 3.28Å; W51-G54 WeakPolarHBondContact O-CA 3.43Å; W51-G54 PolarHBondContact O-N 3.32Å; P52-G54 VanDerWaalsContact C-N 3.35Å
55L86.3Confident72.5Confident59 Ų5962.1 Ų62.131%0.30934%0.343SS..THydrogen-bonded Turntrans-70.7147.9177.1-65.8-179.1000110.8P36 L39 W51 E57P36-L55 CarbonylContact O-C 3.5Å; P36-L55 WeakPolarHBondContact O-CA 3.46Å; P36-L55 VanDerWaalsContact O-CB 3.28Å; P36-L55 WeakPolarHBondContact O-CB 3.26Å; L39-L55 HydrophobicContact CD1-CD1 4.43Å; L39-L55 HydrophobicContact CD1-CD2 4.23Å; L39-L55 HydrophobicContact CD2-CD2 4.37Å; L39-L55 HydrophobicContact CG-CD1 4.2Å; L39-L55 HydrophobicContact CG-CD2 4.1Å; W51-L55 VanDerWaalsContact CD1-CD2 3.41Å; W51-L55 HydrophobicContact CG-CD2 4.06Å; L55-E57 PolarHBondContact O-N 3.24Å; L55-E57 VanDerWaalsContact O-N 3.15Å
56G87.3Confident71.3Confident6 Ų665.4 Ų65.46%0.06235%0.352CS..THydrogen-bonded Turntrans70.20.3-179.200000116A35 P36 R117A35-G56 PolarHBondContact O-N 3.46Å; P36-G56 PolarHBondContact O-N 3.43Å; G56-R117 WeakPolarHBondContact O-CD 3.36Å; G56-R117 PolarHBondContact O-NH1 2.94Å; G56-R117 VanDerWaalsContact O-NH1 3.11Å
57E91Very high70.1Confident45 Ų4568.1 Ų68.121%0.2137%0.367CS..PPolyproline II helixtrans-88.4149.6179.9-70.5-57.415700113.2R34 A35 N53 L55 T59 N116R34-E57 CarbonylContact C-O 3.57Å; R34-E57 WeakPolarHBondContact CA-O 3.29Å; R34-E57 VanDerWaalsContact CB-O 3.27Å; R34-E57 WeakPolarHBondContact CB-O 3.25Å; A35-E57 PolarHBondContact N-O 2.84Å; N53-E57 HydrophobicContact CB-CB 3.69Å; N53-E57 HydrophobicContact CB-CG 4.06Å; N53-E57 VanDerWaalsContact O-CG 3.26Å; N53-E57 WeakPolarHBondContact O-CG 3.33Å; L55-E57 PolarHBondContact O-N 3.24Å; L55-E57 VanDerWaalsContact O-N 3.15Å; E57-T59 PolarHBondContact O-N 2.92Å; E57-N116 WeakPolarHBondContact OE1-CB 3.25Å; E57-N116 PolarHBondContact OE1-ND2 2.89Å; E57-N116 WeakPolarHBondContact OE2-CB 3.39Å
58L90.2Very high68.5Low4 Ų466.8 Ų66.82%0.02137%0.371CS..BIsolated β-bridgetrans-62.3134.8177-161.374.4000110.2H31 G32 A33 N53 S60 M82 R117 V120 S121H31-L58 HydrophobicContact CB-CD1 4.44Å; G32-L58 VanDerWaalsContact C-CD1 3.49Å; G32-L58 VanDerWaalsContact O-CD1 3.3Å; G32-L58 WeakPolarHBondContact O-CD1 3.49Å; A33-L58 WeakPolarHBondContact O-CD1 3.4Å; N53-L58 PolarHBondContact ND2-O 2.85Å; L58-S60 PolarHBondContact O-N 3.46Å; L58-M82 HydrophobicContact CD2-CG 3.74Å; L58-M82 HydrophobicContact CG-CG 4.4Å; L58-R117 HydrophobicContact CB-CB 4.16Å; L58-V120 HydrophobicContact CD2-CB 4.21Å; L58-V120 HydrophobicContact CD2-CG1 3.71Å; L58-S121 WeakPolarHBondContact CD1-OG 3.35Å
59T85Confident66.9Low15 Ų1567.3 Ų67.39%0.09239%0.388CS..PPolyproline II helixtrans-77.3127.9179.957.90000110.6A33 W51 E57 K79 E80 G81 M82A33-T59 PolarHBondContact O-N 2.92Å; A33-T59 PolarHBondContact O-OG1 3.26Å; A33-T59 VanDerWaalsContact O-OG1 3.08Å; W51-T59 HydrophobicContact CZ3-CG2 4.15Å; E57-T59 PolarHBondContact O-N 2.92Å; T59-K79 PolarHBondContact OG1-O 3.44Å; T59-E80 CarbonylContact O-C 3.54Å; T59-E80 WeakPolarHBondContact OG1-CA 3.3Å; T59-G81 PolarHBondContact O-N 2.87Å; T59-G81 PolarHBondContact OG1-N 2.95Å; T59-M82 PolarHBondContact O-N 2.91Å; T59-M82 VanDerWaalsContact O-N 3.14Å
60S74.5Confident64.9Low43 Ų4367.7 Ų67.730%0.30138%0.382SS..SBendtrans-99-9.2173.454.30000113.4N53 L58 M82N53-S60 PolarHBondContact ND2-OG 3.47Å; L58-S60 PolarHBondContact O-N 3.46Å; S60-M82 VanDerWaalsContact CB-SD 3.55Å
61V57.1Low63.2Low79 Ų7967 Ų6748%0.47940%0.403SS..SBendtrans-143135.8-178.5-154.70000108.8R63 E80V61-R63 PolarHBondContact O-N 3.46Å; V61-R63 VanDerWaalsContact O-N 3.1Å; V61-E80 WeakPolarHBondContact CA-OE1 3.2Å
62A50.1Low61.3Low44 Ų4470.4 Ų70.436%0.36443%0.426SS..  trans-62.9115.5-177.100000108.4K79 E80A62-K79 HydrophobicContact CB-CB 4.26Å; A62-E80 HydrophobicContact CB-CG 3.91Å; A62-E80 VanDerWaalsContact N-CD 3.28Å; A62-E80 PolarHBondContact N-OE1 2.81Å
63R50.3Low59.4Low99 Ų9971.4 Ų71.437%0.37443%0.426SS..  trans-119.2142172.4-70.8-162.5-173.7-150.30.8110.6K50 W51 V61 C65 K79K50-R63 VanDerWaalsContact O-CD 3.22Å; K50-R63 WeakPolarHBondContact O-CD 3.36Å; K50-R63 VanDerWaalsContact O-CZ 3.22Å; K50-R63 PolarHBondContact O-NE 2.88Å; K50-R63 PolarHBondContact O-NH1 2.9Å; W51-R63 HydrophobicContact CZ3-CB 4.45Å; V61-R63 PolarHBondContact O-N 3.46Å; V61-R63 VanDerWaalsContact O-N 3.1Å; R63-C65 PolarHBondContact O-N 2.89Å; R63-C65 VanDerWaalsContact O-N 3.14Å; R63-K79 WeakPolarHBondContact O-CD 3.31Å
64R45.1Very low57.4Low177 Ų17773.3 Ų73.367%0.66844%0.436SS*.  trans-70.5104.6175.8-68.6179.8-159159.86.5109.4F66R64-F66 PolarHBondContact O-N 3.32Å
65C45.2Very low55Low36 Ų3679.6 Ų79.624%0.24346%0.456CS..  trans-62.8121.8148.2-49.90000106.8R63 K79 C220R63-C65 PolarHBondContact O-N 2.89Å; R63-C65 VanDerWaalsContact O-N 3.14Å; C65-K79 PolarHBondContact O-NZ 3.23Å; C65-C220 PolarHBondContact SG-SG 3.37Å
66F43.6Very low52.7Low131 Ų13183.1 Ų83.158%0.57547%0.471SS*.  trans-88.8114.5-173.8-165.4-91.5000108.4V45 R64 P68V45-F66 HydrophobicContact CG1-CB 4.49Å; R64-F66 PolarHBondContact O-N 3.32Å; F66-P68 HydrophobicContact CD1-CG 4.37Å; F66-P68 HydrophobicContact CE1-CB 4.46Å; F66-P68 WeakPolarHBondContact O-CD 3.14Å
67V41.1Very low50.4Low84 Ų8487.6 Ų87.651%0.50949%0.492SS..  trans-91.9113.6167.9-1750000106.8G69V67-G69 PolarHBondContact O-N 2.92Å
68P38.1Very low48.4Very low96 Ų9689.2 Ų89.262%0.62350%0.499SS*.THydrogen-bonded Turntrans-69.7130.7171.1-5.621.9000108.5F66F66-P68 HydrophobicContact CD1-CG 4.37Å; F66-P68 HydrophobicContact CE1-CB 4.46Å; F66-P68 WeakPolarHBondContact O-CD 3.14Å
69G41.7Very low46.7Very low83 Ų8391.8 Ų91.886%0.85651%0.51SS*.THydrogen-bonded Turntrans131.7-8159.100000118.9V67V67-G69 PolarHBondContact O-N 2.92Å
70N37.7Very low46.3Very low106 Ų10692.7 Ų92.757%0.56751%0.513SS*.SBendtrans-130.3-5.5175.784.9-1.3000117.4T72N70-T72 PolarHBondContact ND2-OG1 2.93Å; N70-T72 PolarHBondContact O-N 3.25Å; N70-T72 PolarHBondContact O-OG1 3.31Å; N70-T72 WeakPolarHBondContact OD1-CA 3.46Å; N70-T72 WeakPolarHBondContact OD1-CB 3.33Å; N70-T72 PolarHBondContact OD1-N 3.5Å; N70-T72 PolarHBondContact OD1-O 3.49Å; N70-T72 PolarHBondContact OD1-OG1 2.88Å
71G38.8Very low47.1Very low82 Ų8290.7 Ų90.785%0.84550%0.499SS*.  trans61.6-2.2-179.400000114.8L73G71-L73 PolarHBondContact O-N 2.87Å
72T38Very low48.7Very low94 Ų9489.7 Ų89.758%0.57749%0.49SS*.  trans-81.5108.3175.6-45.60000107N70 L74N70-T72 PolarHBondContact ND2-OG1 2.93Å; N70-T72 PolarHBondContact O-N 3.25Å; N70-T72 PolarHBondContact O-OG1 3.31Å; N70-T72 WeakPolarHBondContact OD1-CA 3.46Å; N70-T72 WeakPolarHBondContact OD1-CB 3.33Å; N70-T72 PolarHBondContact OD1-N 3.5Å; N70-T72 PolarHBondContact OD1-O 3.49Å; N70-T72 PolarHBondContact OD1-OG1 2.88Å; T72-L74 PolarHBondContact O-N 3.35Å
73L38.5Very low50.7Low102 Ų10291.4 Ų91.453%0.53449%0.49SS..  trans-55.8105.4160.5-94.7104.1000107.3G71 F75G71-L73 PolarHBondContact O-N 2.87Å; L73-F75 PolarHBondContact O-N 2.84Å
74L39.3Very low52.7Low128 Ų12887.8 Ų87.867%0.6748%0.477SS*.  trans-62.393155.9-104.1156.3000105.8T72 E76T72-L74 PolarHBondContact O-N 3.35Å; L74-E76 PolarHBondContact O-N 3.36Å
75F36.7Very low55.1Low158 Ų15879.3 Ų79.369%0.69345%0.446SS*.  trans-42.8104.2177-122.4-97.3000109.6L73 I77L73-F75 PolarHBondContact O-N 2.84Å; F75-I77 PolarHBondContact O-N 2.61Å
76E37.3Very low57.4Low133 Ų13379.8 Ų79.862%0.62145%0.445SS*.  36.136.4118.1-117.9170.7-144.500119L74L74-E76 PolarHBondContact O-N 3.36Å
77I38.4Very low59.9Low101 Ų10176 Ų7652%0.51843%0.431SS..SBendtrans-138.1100.4177.9-49.6-179.6000108.8F75F75-I77 PolarHBondContact O-N 2.61Å
78F50.2Low62.6Low78 Ų7872 Ų7234%0.34241%0.407SS..  trans71.348.1179.4-47.6-65.7000118.2E80 Q83 Q84 L87F78-E80 PolarHBondContact O-N 3.16Å; F78-Q83 HydrophobicContact CD1-CB 4.18Å; F78-Q84 HydrophobicContact CB-CG 3.86Å; F78-Q84 PolarHBondContact O-NE2 2.82Å; F78-L87 HydrophobicContact CE1-CD2 4.35Å; F78-L87 HydrophobicContact CE2-CD2 4.27Å; F78-L87 HydrophobicContact CZ-CD2 3.98Å
79K53.2Low65.4Low59 Ų5967.5 Ų67.526%0.25738%0.377SS..  trans-8114161.2-66.6-164179.1-169.70113.4T59 A62 R63 C65T59-K79 PolarHBondContact OG1-O 3.44Å; A62-K79 HydrophobicContact CB-CB 4.26Å; R63-K79 WeakPolarHBondContact O-CD 3.31Å; C65-K79 PolarHBondContact O-NZ 3.23Å
80E78.2Confident68Low34 Ų3468.9 Ų68.916%0.15936%0.36CS..  trans-107.2104178.5-69.6-177.5-159.700109.3T59 V61 A62 F78 M82 Q83 Q84T59-E80 CarbonylContact O-C 3.54Å; T59-E80 WeakPolarHBondContact OG1-CA 3.3Å; V61-E80 WeakPolarHBondContact CA-OE1 3.2Å; A62-E80 HydrophobicContact CB-CG 3.91Å; A62-E80 VanDerWaalsContact N-CD 3.28Å; A62-E80 PolarHBondContact N-OE1 2.81Å; F78-E80 PolarHBondContact O-N 3.16Å; E80-M82 PolarHBondContact O-N 3.13Å; E80-Q83 HydrophobicContact CB-CB 3.89Å; E80-Q83 HydrophobicContact CB-CG 3.7Å; E80-Q83 VanDerWaalsContact CD-NE2 3.34Å; E80-Q83 HydrophobicContact CG-CG 4.47Å; E80-Q83 PolarHBondContact O-N 3.31Å; E80-Q83 VanDerWaalsContact OE2-CG 3.26Å; E80-Q83 WeakPolarHBondContact OE2-CG 3.39Å; E80-Q83 PolarHBondContact OE2-NE2 3.12Å; E80-Q84 WeakPolarHBondContact O-CG 3.47Å; E80-Q84 PolarHBondContact O-N 3.11Å
81G89.4Confident70.8Confident0 Ų067.5 Ų67.50%035%0.352CS..Hα-helixtrans-58-31.8179.700000112.9A33 T59 Q85A33-G81 VanDerWaalsContact O-CA 3.27Å; A33-G81 WeakPolarHBondContact O-CA 3.37Å; A33-G81 PolarHBondContact O-N 3.43Å; T59-G81 PolarHBondContact O-N 2.87Å; T59-G81 PolarHBondContact OG1-N 2.95Å; G81-Q85 WeakPolarHBondContact O-CG 3.21Å; G81-Q85 PolarHBondContact O-N 3.25Å; G81-Q85 VanDerWaalsContact O-N 3.1Å
82M91.7Very high73.5Confident59 Ų5963.8 Ų63.829%0.29131%0.313SS..Hα-helixtrans-62.6-48.3171.1-68.9-176.8-179.600112.1L58 T59 S60 E80 Q84 Q85 L86 V120 V124L58-M82 HydrophobicContact CD2-CG 3.74Å; L58-M82 HydrophobicContact CG-CG 4.4Å; T59-M82 PolarHBondContact O-N 2.91Å; T59-M82 VanDerWaalsContact O-N 3.14Å; S60-M82 VanDerWaalsContact CB-SD 3.55Å; E80-M82 PolarHBondContact O-N 3.13Å; M82-Q84 VanDerWaalsContact C-N 3.31Å; M82-Q84 PolarHBondContact O-N 2.91Å; M82-Q85 PolarHBondContact O-N 3.47Å; M82-L86 PolarHBondContact O-N 3.37Å; M82-V120 HydrophobicContact CE-CG1 3.7Å; M82-V120 HydrophobicContact CG-CG1 4.43Å; M82-V124 HydrophobicContact CB-CG1 4.44Å; M82-V124 HydrophobicContact CB-CG2 4.48Å; M82-V124 HydrophobicContact CG-CG2 4.3Å; M82-V124 WeakPolarHBondContact O-CG1 3.41Å
83Q91.2Very high76.3Confident80 Ų8060.8 Ų60.837%0.37429%0.292SS..Hα-helixtrans-63.2-39.5178.8-68.6-176.2-4.600112.1F78 E80 Q85 L86 L87F78-Q83 HydrophobicContact CD1-CB 4.18Å; E80-Q83 HydrophobicContact CB-CB 3.89Å; E80-Q83 HydrophobicContact CB-CG 3.7Å; E80-Q83 VanDerWaalsContact CD-NE2 3.34Å; E80-Q83 HydrophobicContact CG-CG 4.47Å; E80-Q83 PolarHBondContact O-N 3.31Å; E80-Q83 VanDerWaalsContact OE2-CG 3.26Å; E80-Q83 WeakPolarHBondContact OE2-CG 3.39Å; E80-Q83 PolarHBondContact OE2-NE2 3.12Å; Q83-Q85 VanDerWaalsContact C-N 3.32Å; Q83-Q85 PolarHBondContact O-N 3.11Å; Q83-L86 PolarHBondContact O-N 3.12Å; Q83-L87 WeakPolarHBondContact O-CB 3.49Å; Q83-L87 PolarHBondContact O-N 2.92Å
84Q92.5Very high79Confident22 Ų2261.1 Ų61.110%0.10329%0.291CS..Hα-helixtrans-59.4-46.1176.9-67.9179-1500111.1F78 E80 M82 L87 L88 F282 S283 L307F78-Q84 HydrophobicContact CB-CG 3.86Å; F78-Q84 PolarHBondContact O-NE2 2.82Å; E80-Q84 WeakPolarHBondContact O-CG 3.47Å; E80-Q84 PolarHBondContact O-N 3.11Å; M82-Q84 VanDerWaalsContact C-N 3.31Å; M82-Q84 PolarHBondContact O-N 2.91Å; Q84-L87 PolarHBondContact O-N 3.05Å; Q84-L88 PolarHBondContact O-N 3.36Å; Q84-F282 VanDerWaalsContact OE1-CB 3.27Å; Q84-S283 VanDerWaalsContact CB-OG 3.24Å; Q84-S283 WeakPolarHBondContact CB-OG 3.2Å; Q84-S283 PolarHBondContact OE1-OG 3.37Å; Q84-L307 VanDerWaalsContact CA-CD1 3.41Å; Q84-L307 HydrophobicContact CB-CD1 3.59Å; Q84-L307 HydrophobicContact CG-CD1 3.92Å; Q84-L307 WeakPolarHBondContact O-CD1 3.46Å
85Q95.8Very high81.6Confident0 Ų059 Ų590%027%0.274CS..Hα-helixtrans-69.2-35.5178.4-71.3-68.7-37.900112.5W29 R30 G81 M82 Q83 L87 L88 G89 V124 N125 S283W29-Q85 VanDerWaalsContact CD1-OE1 3.22Å; W29-Q85 VanDerWaalsContact NE1-OE1 3.12Å; R30-Q85 PolarHBondContact O-NE2 3.28Å; G81-Q85 WeakPolarHBondContact O-CG 3.21Å; G81-Q85 PolarHBondContact O-N 3.25Å; G81-Q85 VanDerWaalsContact O-N 3.1Å; M82-Q85 PolarHBondContact O-N 3.47Å; Q83-Q85 VanDerWaalsContact C-N 3.32Å; Q83-Q85 PolarHBondContact O-N 3.11Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.35Å; Q85-L88 PolarHBondContact O-N 3.16Å; Q85-G89 PolarHBondContact O-N 3.07Å; Q85-V124 HydrophobicContact CB-CB 4.36Å; Q85-V124 HydrophobicContact CB-CG1 4.34Å; Q85-N125 HydrophobicContact CB-CB 4.4Å; Q85-N125 WeakPolarHBondContact O-CA 3.25Å; Q85-N125 PolarHBondContact OE1-ND2 3.49Å; Q85-S283 PolarHBondContact NE2-OG 2.76Å
86L94.7Very high84.5Confident46 Ų4651.7 Ų51.724%0.24124%0.242CC..Hα-helixtrans-61.9-42.6173.2-177.762000111.2M82 Q83 G89 K90 V124 H127M82-L86 PolarHBondContact O-N 3.37Å; Q83-L86 PolarHBondContact O-N 3.12Å; L86-G89 PolarHBondContact O-N 2.89Å; L86-K90 WeakPolarHBondContact O-CG 3.22Å; L86-K90 PolarHBondContact O-N 3.37Å; L86-V124 HydrophobicContact CB-CG1 3.77Å; L86-H127 HydrophobicContact CD1-CB 4.47Å
87L95.4Very high87.1Confident52 Ų5250.3 Ų50.327%0.27223%0.234SC..Hα-helixtrans-68.1-42.8177.5-178.956.2000111.2F78 Q83 Q84 Q85 G89 K90 L91 L307F78-L87 HydrophobicContact CE1-CD2 4.35Å; F78-L87 HydrophobicContact CE2-CD2 4.27Å; F78-L87 HydrophobicContact CZ-CD2 3.98Å; Q83-L87 WeakPolarHBondContact O-CB 3.49Å; Q83-L87 PolarHBondContact O-N 2.92Å; Q84-L87 PolarHBondContact O-N 3.05Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.35Å; L87-G89 VanDerWaalsContact C-N 3.32Å; L87-G89 PolarHBondContact O-N 2.98Å; L87-K90 PolarHBondContact O-N 3.16Å; L87-K90 VanDerWaalsContact O-N 3.15Å; L87-L91 HydrophobicContact CG-CD1 4.45Å; L87-L91 WeakPolarHBondContact O-CG 3.5Å; L87-L91 PolarHBondContact O-N 3Å; L87-L307 HydrophobicContact CB-CD1 4.19Å; L87-L307 HydrophobicContact CD2-CB 4.47Å; L87-L307 HydrophobicContact CD2-CD1 4.08Å; L87-L307 HydrophobicContact CG-CD1 4.36Å; L87-L307 HydrophobicContact CG-CD2 4.33Å
88L97.1Very high89.7Confident0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-56.3-47.3172.8-179.658.5000111W29 Q84 Q85 K90 L91 L92 N125 C285 L304 L307W29-L88 HydrophobicContact CB-CD2 3.8Å; W29-L88 HydrophobicContact CG-CD2 4.01Å; Q84-L88 PolarHBondContact O-N 3.36Å; Q85-L88 PolarHBondContact O-N 3.16Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.48Å; L88-L91 WeakPolarHBondContact O-CB 3.33Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-L91 VanDerWaalsContact O-N 3.14Å; L88-L92 HydrophobicContact CD1-CD1 4.26Å; L88-L92 HydrophobicContact CD1-CG 4.3Å; L88-L92 HydrophobicContact CG-CD1 4.04Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.44Å; L88-L92 PolarHBondContact O-N 3.19Å; L88-N125 WeakPolarHBondContact CD2-ND2 3.32Å; L88-N125 WeakPolarHBondContact CG-ND2 3.22Å; L88-C285 HydrophobicContact CD1-CB 3.96Å; L88-C285 HydrophobicContact CD2-CB 4.29Å; L88-L304 HydrophobicContact CD1-CD2 3.95Å; L88-L307 HydrophobicContact CB-CD2 4.09Å
89G97.2Very high91.9Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-57.7-41.617600000113.1Q85 L86 L87 L92 H93 N125 G128 M129Q85-G89 PolarHBondContact O-N 3.07Å; L86-G89 PolarHBondContact O-N 2.89Å; L87-G89 VanDerWaalsContact C-N 3.32Å; L87-G89 PolarHBondContact O-N 2.98Å; G89-L92 PolarHBondContact O-N 2.89Å; G89-H93 PolarHBondContact O-N 3.48Å; G89-N125 WeakPolarHBondContact CA-O 3.18Å; G89-N125 WeakPolarHBondContact CA-OD1 3.23Å; G89-G128 VanDerWaalsContact C-C 3.44Å; G89-G128 CarbonylContact O-C 3.57Å; G89-M129 VanDerWaalsContact O-CA 3.32Å; G89-M129 WeakPolarHBondContact O-CA 3.27Å; G89-M129 PolarHBondContact O-N 2.73Å
90K95.7Very high93.8Very high112 Ų11242.8 Ų42.849%0.48721%0.213SC..Hα-helixtrans-66.4-39.2175-72.7173.6179.4179.30112.7L86 L87 L88 L92 H93 E94L86-K90 WeakPolarHBondContact O-CG 3.22Å; L86-K90 PolarHBondContact O-N 3.37Å; L87-K90 PolarHBondContact O-N 3.16Å; L87-K90 VanDerWaalsContact O-N 3.15Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 3.48Å; K90-L92 VanDerWaalsContact C-N 3.32Å; K90-H93 WeakPolarHBondContact O-CB 3.39Å; K90-H93 PolarHBondContact O-N 2.73Å; K90-E94 WeakPolarHBondContact O-CG 3.47Å; K90-E94 PolarHBondContact O-N 2.91Å
91L96.5Very high94.3Very high78 Ų7844.1 Ų44.141%0.40823%0.225SC..Hα-helixtrans-62.7-42.4175.3-70.8171.3000111L87 L88 H93 E94 R95 L304 L307L87-L91 HydrophobicContact CG-CD1 4.45Å; L87-L91 WeakPolarHBondContact O-CG 3.5Å; L87-L91 PolarHBondContact O-N 3Å; L88-L91 WeakPolarHBondContact O-CB 3.33Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-L91 VanDerWaalsContact O-N 3.14Å; L91-H93 VanDerWaalsContact C-N 3.34Å; L91-E94 PolarHBondContact O-N 3.26Å; L91-R95 WeakPolarHBondContact O-CB 3.38Å; L91-R95 PolarHBondContact O-N 3.28Å; L91-L304 HydrophobicContact CD1-CD2 4.43Å; L91-L307 HydrophobicContact CD1-CD2 3.79Å
92L97.1Very high94.4Very high4 Ų449.1 Ų49.12%0.02125%0.252CS..Hα-helixtrans-65.3-38.4174.9-63.8168.9000111.3V27 L88 G89 K90 R95 Y96 M129 M287V27-L92 HydrophobicContact CG1-CD1 4.36Å; V27-L92 HydrophobicContact CG1-CD2 3.78Å; L88-L92 HydrophobicContact CD1-CD1 4.26Å; L88-L92 HydrophobicContact CD1-CG 4.3Å; L88-L92 HydrophobicContact CG-CD1 4.04Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.44Å; L88-L92 PolarHBondContact O-N 3.19Å; G89-L92 PolarHBondContact O-N 2.89Å; K90-L92 VanDerWaalsContact C-N 3.32Å; L92-R95 PolarHBondContact O-N 3.21Å; L92-Y96 HydrophobicContact CB-CD2 4.44Å; L92-Y96 HydrophobicContact CD2-CE2 3.89Å; L92-Y96 WeakPolarHBondContact O-CD2 3.5Å; L92-Y96 PolarHBondContact O-N 3.27Å; L92-M129 HydrophobicContact CB-SD 3.53Å; L92-M129 VanDerWaalsContact CB-SD 3.53Å; L92-M287 HydrophobicContact CD2-SD 4.2Å
93H95.8Very high94.5Very high31 Ų3148.6 Ų48.614%0.14425%0.247CC..Hα-helixtrans-59.7-51.5174.1-174.377.8000110.5G89 K90 L91 R95 Y96 K97 M129G89-H93 PolarHBondContact O-N 3.48Å; K90-H93 WeakPolarHBondContact O-CB 3.39Å; K90-H93 PolarHBondContact O-N 2.73Å; L91-H93 VanDerWaalsContact C-N 3.34Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 PolarHBondContact O-N 3.14Å; H93-Y96 PolarHBondContact O-N 2.79Å; H93-K97 WeakPolarHBondContact O-CA 3.43Å; H93-K97 VanDerWaalsContact O-CB 3.23Å; H93-K97 WeakPolarHBondContact O-CB 3.47Å; H93-K97 PolarHBondContact O-N 3.46Å; H93-M129 VanDerWaalsContact CA-SD 3.56Å; H93-M129 HydrophobicContact CB-SD 4.2Å; H93-M129 PolarHBondContact N-SD 3.26Å; H93-M129 PolarHBondContact ND1-O 3.34Å
94E95.2Very high94.6Very high108 Ų10847.9 Ų47.951%0.50525%0.249SC..Hα-helixtrans-62.7-34.9-179.7-70.8-56.8135.300112.6K90 L91 K97K90-E94 WeakPolarHBondContact O-CG 3.47Å; K90-E94 PolarHBondContact O-N 2.91Å; L91-E94 PolarHBondContact O-N 3.26Å; E94-K97 IonicContact OE2-NZ 3.98Å; E94-K97 PolarHBondContact OE2-NZ 3.49Å
95R95.4Very high94.7Very high85 Ų8550.7 Ų50.732%0.32128%0.275SS..Hα-helixtrans-68.5-38.4177.1-175.5174.517981.72.4113L91 L92 H93 E289L91-R95 WeakPolarHBondContact O-CB 3.38Å; L91-R95 PolarHBondContact O-N 3.28Å; L92-R95 PolarHBondContact O-N 3.21Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 PolarHBondContact O-N 3.14Å; R95-E289 IonicContact CZ-OE1 2.73Å; R95-E289 IonicContact CZ-OE2 3.35Å; R95-E289 IonicContact NE-OE1 3.67Å; R95-E289 PolarHBondContact NE-OE1 2.87Å; R95-E289 IonicContact NH2-OE1 3.93Å; R95-E289 PolarHBondContact NH2-OE1 3.25Å; R95-E289 IonicContact NH2-OE2 2.82Å; R95-E289 PolarHBondContact NH2-OE2 3.49Å
96Y96.3Very high94.7Very high4 Ų456.6 Ų56.62%0.01630%0.301CS..Hα-helixtrans-112.85.5-171-56.9-56.2000114.7L22 V25 L92 H93 G98 F99 L100 M129 Y254 E289L22-Y96 HydrophobicContact CD2-CD1 3.85Å; L22-Y96 HydrophobicContact CD2-CE1 4.04Å; V25-Y96 HydrophobicContact CB-CE1 4.45Å; V25-Y96 HydrophobicContact CG1-CE2 4.37Å; V25-Y96 HydrophobicContact CG2-CE1 4.2Å; V25-Y96 HydrophobicContact CG2-CE2 4.2Å; V25-Y96 WeakPolarHBondContact CG2-OH 3.35Å; L92-Y96 HydrophobicContact CB-CD2 4.44Å; L92-Y96 HydrophobicContact CD2-CE2 3.89Å; L92-Y96 WeakPolarHBondContact O-CD2 3.5Å; L92-Y96 PolarHBondContact O-N 3.27Å; H93-Y96 PolarHBondContact O-N 2.79Å; Y96-G98 VanDerWaalsContact C-N 3.26Å; Y96-G98 PolarHBondContact O-N 3.25Å; Y96-G98 VanDerWaalsContact O-N 3.13Å; Y96-F99 PolarHBondContact O-N 2.89Å; Y96-L100 PolarHBondContact O-N 3.33Å; Y96-M129 HydrophobicContact CD2-CE 4.24Å; Y96-Y254 HydrophobicContact CD2-CD2 4.5Å; Y96-Y254 HydrophobicContact CD2-CE2 4.14Å; Y96-Y254 HydrophobicContact CE2-CE2 4.3Å; Y96-E289 HydrophobicContact CE1-CG 4.46Å; Y96-E289 VanDerWaalsContact CE1-OE1 3.25Å; Y96-E289 WeakPolarHBondContact CE1-OE1 3.48Å; Y96-E289 PolarHBondContact OH-OE1 2.83Å
97K93.1Very high94.9Very high103 Ų10354.7 Ų54.745%0.44829%0.292SS..THydrogen-bonded Turntrans-55.3-32.1-173.458.7-174.7174-170.70114.9H93 E94H93-K97 WeakPolarHBondContact O-CA 3.43Å; H93-K97 VanDerWaalsContact O-CB 3.23Å; H93-K97 WeakPolarHBondContact O-CB 3.47Å; H93-K97 PolarHBondContact O-N 3.46Å; E94-K97 IonicContact OE2-NZ 3.98Å; E94-K97 PolarHBondContact OE2-NZ 3.49Å
98G92.8Very high95Very high53 Ų5352.7 Ų52.755%0.54628%0.282SS..THydrogen-bonded Turntrans-82.2-20.517600000113.9E19 Y96E19-G98 VanDerWaalsContact CD-CA 3.47Å; E19-G98 WeakPolarHBondContact OE1-CA 3.44Å; E19-G98 PolarHBondContact OE1-N 2.92Å; E19-G98 WeakPolarHBondContact OE2-CA 3.4Å; Y96-G98 VanDerWaalsContact C-N 3.26Å; Y96-G98 PolarHBondContact O-N 3.25Å; Y96-G98 VanDerWaalsContact O-N 3.13Å
99F95Very high95Very high20 Ų2057 Ų579%0.08830%0.298CS..THydrogen-bonded Turntrans-89-41.2175.2172.9-119000113.1L22 Y96 K253L22-F99 HydrophobicContact CB-CD2 4.07Å; L22-F99 HydrophobicContact CB-CE2 4.34Å; L22-F99 HydrophobicContact CB-CG 4.24Å; L22-F99 HydrophobicContact CD2-CB 4.12Å; L22-F99 HydrophobicContact CD2-CD1 3.52Å; L22-F99 HydrophobicContact CD2-CD2 4.38Å; L22-F99 HydrophobicContact CD2-CE1 3.96Å; L22-F99 HydrophobicContact CD2-CG 3.75Å; L22-F99 HydrophobicContact CG-CD1 4.01Å; L22-F99 HydrophobicContact CG-CD2 4.24Å; L22-F99 HydrophobicContact CG-CE1 4.03Å; L22-F99 HydrophobicContact CG-CE2 4.3Å; L22-F99 HydrophobicContact CG-CG 4.1Å; L22-F99 HydrophobicContact CG-CZ 4.18Å; L22-F99 WeakPolarHBondContact O-CD2 3.39Å; L22-F99 WeakPolarHBondContact O-CE2 3.48Å; Y96-F99 PolarHBondContact O-N 2.89Å; F99-K253 HydrophobicContact CD2-CD 4.48Å; F99-K253 HydrophobicContact CE1-CB 3.67Å; F99-K253 HydrophobicContact CE1-CD 4.26Å; F99-K253 HydrophobicContact CE1-CG 4.09Å; F99-K253 WeakPolarHBondContact CE1-O 3.45Å; F99-K253 HydrophobicContact CE2-CB 4.49Å; F99-K253 HydrophobicContact CE2-CD 3.9Å; F99-K253 HydrophobicContact CE2-CG 4.01Å; F99-K253 HydrophobicContact CZ-CB 3.56Å; F99-K253 HydrophobicContact CZ-CD 3.79Å; F99-K253 HydrophobicContact CZ-CG 3.5Å; F99-K253 VanDerWaalsContact CZ-CG 3.5Å; F99-K253 PolarHBondContact O-NZ 3.29Å
100L93.8Very high95.1Very high8 Ų857.1 Ų57.14%0.04230%0.299CS..  trans-149.799.7-176.5-18068.2000110.6Y96 N102 V108 F130 K253 Y254Y96-L100 PolarHBondContact O-N 3.33Å; L100-N102 WeakPolarHBondContact CD1-O 3.4Å; L100-V108 HydrophobicContact CD2-CG2 3.93Å; L100-F130 HydrophobicContact CD2-CE1 3.92Å; L100-F130 HydrophobicContact CD2-CZ 3.82Å; L100-F130 HydrophobicContact CG-CE1 4.02Å; L100-F130 HydrophobicContact CG-CZ 4.43Å; L100-K253 HydrophobicContact CD1-CD 4.15Å; L100-K253 HydrophobicContact CD2-CB 4.39Å; L100-Y254 VanDerWaalsContact CD2-CB 3.43Å; L100-Y254 HydrophobicContact CD2-CD2 4.27Å; L100-Y254 HydrophobicContact CD2-CG 4.06Å
101S88.6Confident95.2Very high61 Ų6153.3 Ų53.343%0.42728%0.282SS..  trans-91.3-41.9-178.754.60000114.1
102N91.5Very high95.3Very high106 Ų10649.6 Ų49.657%0.56726%0.262SS*.SBendtrans-118.3148.1-174.1-68.2-27.1000111.7L100L100-N102 WeakPolarHBondContact CD1-O 3.4Å
103Y93.5Very high95.4Very high48 Ų4849.4 Ų49.419%0.18826%0.261CS..  trans-68134.7172.5168-105.2000111V108 I146 P147Y103-V108 HydrophobicContact CD2-CB 3.74Å; Y103-V108 HydrophobicContact CD2-CG1 4.13Å; Y103-V108 HydrophobicContact CD2-CG2 3.9Å; Y103-V108 HydrophobicContact CE2-CB 3.86Å; Y103-V108 HydrophobicContact CE2-CG1 4.23Å; Y103-V108 HydrophobicContact CE2-CG2 4.49Å; Y103-I146 HydrophobicContact CD1-CD1 4.41Å; Y103-I146 HydrophobicContact CD1-CG1 4.05Å; Y103-I146 HydrophobicContact CD2-CD1 3.9Å; Y103-I146 HydrophobicContact CD2-CG1 3.97Å; Y103-I146 HydrophobicContact CD2-CG2 3.97Å; Y103-I146 HydrophobicContact CE1-CG1 4.26Å; Y103-I146 HydrophobicContact CE2-CB 4.45Å; Y103-I146 HydrophobicContact CE2-CG1 4.2Å; Y103-I146 HydrophobicContact CE2-CG2 3.65Å; Y103-I146 HydrophobicContact CG-CD1 3.82Å; Y103-I146 HydrophobicContact CG-CG1 3.9Å; Y103-P147 WeakPolarHBondContact OH-CD 3.2Å
104T93.8Very high95.4Very high65 Ų6551.1 Ų51.140%0.39927%0.271SS..  trans-137.6148.6158.477.90000108.7K106 S107 V108T104-K106 PolarHBondContact O-N 3.43Å; T104-K106 VanDerWaalsContact O-N 3.11Å; T104-S107 PolarHBondContact N-OG 3.34Å; T104-S107 PolarHBondContact O-N 3.09Å; T104-S107 PolarHBondContact O-OG 2.94Å; T104-S107 VanDerWaalsContact OG1-CB 3.29Å; T104-S107 WeakPolarHBondContact OG1-CB 3.35Å; T104-S107 PolarHBondContact OG1-N 3.26Å; T104-S107 VanDerWaalsContact OG1-N 3.12Å; T104-S107 PolarHBondContact OG1-OG 2.99Å; T104-V108 PolarHBondContact O-N 2.81Å; T104-V108 VanDerWaalsContact O-N 3.16Å
105A94.4Very high95.4Very high80 Ų8046.7 Ų46.766%0.66125%0.252SS*.THydrogen-bonded Turntrans-62.2-19.2178.900000113.8
106K96.8Very high95.4Very high124 Ų12447 Ų4754%0.53926%0.26SS..THydrogen-bonded Turntrans-88.4-25176.2-66.5-175.7175-175.50113.1T104 Q251 L252T104-K106 PolarHBondContact O-N 3.43Å; T104-K106 VanDerWaalsContact O-N 3.11Å; K106-Q251 HydrophobicContact CB-CB 3.89Å; K106-Q251 CarbonylContact O-C 3.4Å; K106-L252 VanDerWaalsContact O-CA 3.3Å; K106-L252 WeakPolarHBondContact O-CA 3.47Å; K106-L252 PolarHBondContact O-N 3.1Å
107S97Very high95.4Very high7 Ų748.3 Ų48.35%0.04927%0.265CS..THydrogen-bonded Turntrans-96.1-18.9-175.665.50000115.1T104 Q251 K253 Y254T104-S107 PolarHBondContact N-OG 3.34Å; T104-S107 PolarHBondContact O-N 3.09Å; T104-S107 PolarHBondContact O-OG 2.94Å; T104-S107 VanDerWaalsContact OG1-CB 3.29Å; T104-S107 WeakPolarHBondContact OG1-CB 3.35Å; T104-S107 PolarHBondContact OG1-N 3.26Å; T104-S107 VanDerWaalsContact OG1-N 3.12Å; T104-S107 PolarHBondContact OG1-OG 2.99Å; S107-Q251 WeakPolarHBondContact CA-O 3.49Å; S107-Q251 VanDerWaalsContact CB-O 3.31Å; S107-Q251 WeakPolarHBondContact CB-O 3.35Å; S107-K253 PolarHBondContact O-N 2.9Å; S107-Y254 PolarHBondContact O-N 3.44Å
108V98.1Very high95.6Very high10 Ų1043.4 Ų43.46%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-127125.2-174.5179.10000110.2L100 Y103 T104 V110 F130 Y254L100-V108 HydrophobicContact CD2-CG2 3.93Å; Y103-V108 HydrophobicContact CD2-CB 3.74Å; Y103-V108 HydrophobicContact CD2-CG1 4.13Å; Y103-V108 HydrophobicContact CD2-CG2 3.9Å; Y103-V108 HydrophobicContact CE2-CB 3.86Å; Y103-V108 HydrophobicContact CE2-CG1 4.23Å; Y103-V108 HydrophobicContact CE2-CG2 4.49Å; T104-V108 PolarHBondContact O-N 2.81Å; T104-V108 VanDerWaalsContact O-N 3.16Å; V108-V110 HydrophobicContact CG1-CG2 3.82Å; V108-F130 HydrophobicContact CG1-CE2 4.04Å; V108-F130 HydrophobicContact CG1-CZ 4.41Å; V108-F130 HydrophobicContact CG2-CE1 4.24Å; V108-F130 HydrophobicContact CG2-CE2 3.95Å; V108-F130 HydrophobicContact CG2-CZ 3.56Å; V108-Y254 WeakPolarHBondContact CA-O 3.31Å; V108-Y254 HydrophobicContact CG1-CD1 4.15Å
109Y98.5Very high95.8Very high90 Ų9042.9 Ų42.935%0.35323%0.228SC..EExtended strand (participates in β ladder)trans-120133.4167.1176.4-94.5000109.4R111 H149 Y254 V255 A256Y109-R111 HydrophobicContact CE1-CB 3.87Å; Y109-H149 AromaticContact CD2-CD2 3.84Å; Y109-H149 AromaticContact CE2-CD2 3.43Å; Y109-H149 VanDerWaalsContact CE2-CD2 3.43Å; Y109-H149 WeakPolarHBondContact CE2-CD2 3.36Å; Y109-Y254 PolarHBondContact N-O 3.05Å; Y109-V255 HydrophobicContact CD1-CG1 3.92Å; Y109-V255 CarbonylContact O-C 3.59Å; Y109-V255 WeakPolarHBondContact O-CA 3Å; Y109-A256 PolarHBondContact O-N 3.17Å
110V98.7Very high95.9Very high2 Ų244 Ų441%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-129.7129.8178.6-173.20000110.7V108 A122 L126 V148 H149 A256V108-V110 HydrophobicContact CG1-CG2 3.82Å; V110-A122 HydrophobicContact CG1-CB 4.37Å; V110-L126 HydrophobicContact CB-CD1 4.34Å; V110-L126 HydrophobicContact CG1-CD1 4.16Å; V110-L126 HydrophobicContact CG2-CD1 3.87Å; V110-L126 HydrophobicContact CG2-CD2 3.86Å; V110-L126 HydrophobicContact CG2-CG 4.36Å; V110-V148 HydrophobicContact CG1-CG1 4.32Å; V110-V148 HydrophobicContact CG1-CG2 4.2Å; V110-H149 WeakPolarHBondContact O-CB 3.39Å; V110-H149 PolarHBondContact O-CD2 3.09Å; V110-H149 PolarHBondContact O-N 2.86Å; V110-A256 WeakPolarHBondContact CA-O 3.44Å; V110-A256 HydrophobicContact CB-CB 4.33Å; V110-A256 HydrophobicContact CG1-CB 4Å; V110-A256 HydrophobicContact CG2-CB 3.97Å
111R98.4Very high96.1Very high32 Ų3243.6 Ų43.612%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-122.4146171.9-172.5179.9170.6-174.8-4.9110.6Y109 H149 D156 L159 A256 Y257 S258Y109-R111 HydrophobicContact CE1-CB 3.87Å; R111-H149 CarbonylContact C-O 3.56Å; R111-H149 VanDerWaalsContact CA-O 3.27Å; R111-H149 WeakPolarHBondContact CA-O 3.18Å; R111-D156 IonicContact CZ-OD1 3.53Å; R111-D156 IonicContact CZ-OD2 3.63Å; R111-D156 IonicContact NE-OD2 2.77Å; R111-D156 IonicContact NH2-OD1 3.53Å; R111-D156 PolarHBondContact NH2-OD1 2.89Å; R111-D156 IonicContact NH2-OD2 2.75Å; R111-D156 PolarHBondContact NH2-OD2 2.83Å; R111-L159 HydrophobicContact CB-CD1 4.3Å; R111-L159 HydrophobicContact CG-CD1 3.8Å; R111-A256 PolarHBondContact N-O 2.63Å; R111-Y257 HydrophobicContact CB-CD1 4.2Å; R111-Y257 CarbonylContact O-C 3.47Å; R111-Y257 VanDerWaalsContact O-CA 3.23Å; R111-Y257 WeakPolarHBondContact O-CA 3.01Å; R111-S258 PolarHBondContact O-N 3.05Å
112S98.5Very high96.6Very high0 Ų040.7 Ų40.70%021%0.214CC..EExtended strand (participates in β ladder)trans-134.5153.4170.9-170.40000110.6T118 I119 H149 T150 S258S112-T118 WeakPolarHBondContact OG-CB 3.38Å; S112-T118 PolarHBondContact OG-O 2.85Å; S112-T118 PolarHBondContact OG-OG1 2.8Å; S112-I119 PolarHBondContact OG-N 3.02Å; S112-H149 PolarHBondContact N-O 2.76Å; S112-T150 WeakPolarHBondContact O-CA 3.45Å; S112-T150 WeakPolarHBondContact O-CB 3.42Å; S112-T150 PolarHBondContact O-OG1 3.22Å; S112-S258 VanDerWaalsContact CA-O 3.23Å; S112-S258 WeakPolarHBondContact CA-O 3.35Å; S112-S258 PolarHBondContact OG-O 3.18Å
113T97.3Very high96.8Very high0 Ų038.6 Ų38.60%020%0.202CC..EExtended strand (participates in β ladder)trans-60.2151.7163.254.10000110.1T115 T118 L159 E160 S258 A259 H260T113-T115 PolarHBondContact O-N 3.46Å; T113-T118 PolarHBondContact O-OG1 3.32Å; T113-T118 VanDerWaalsContact O-OG1 3.06Å; T113-T118 WeakPolarHBondContact OG1-CB 3.3Å; T113-T118 WeakPolarHBondContact OG1-CG2 3.5Å; T113-T118 PolarHBondContact OG1-OG1 3.48Å; T113-L159 HydrophobicContact CG2-CB 3.42Å; T113-L159 VanDerWaalsContact CG2-CB 3.42Å; T113-E160 HydrophobicContact CG2-CB 4.19Å; T113-S258 PolarHBondContact N-O 3.38Å; T113-S258 VanDerWaalsContact N-O 3.16Å; T113-A259 HydrophobicContact CG2-CB 4.38Å; T113-H260 PolarHBondContact OG1-NE2 3.39Å
114D96.8Very high97Very high67 Ų6737.8 Ų37.836%0.35820%0.202SC..SBendtrans-78.862.6-178.7-171.828.2000111.4T150 V151 R153D114-T150 WeakPolarHBondContact CA-OG1 3.21Å; D114-T150 HydrophobicContact CB-CG2 4.2Å; D114-T150 VanDerWaalsContact CB-OG1 3.25Å; D114-T150 WeakPolarHBondContact CB-OG1 3.3Å; D114-T150 PolarHBondContact N-OG1 2.85Å; D114-V151 VanDerWaalsContact CB-O 3.31Å; D114-V151 WeakPolarHBondContact CB-O 3.49Å; D114-R153 HydrophobicContact CB-CG 4.06Å; D114-R153 WeakPolarHBondContact O-CD 3.35Å; D114-R153 VanDerWaalsContact O-CG 3.29Å; D114-R153 WeakPolarHBondContact O-CG 3.2Å
115T95.1Very high97.1Very high15 Ų1534.7 Ų34.79%0.09218%0.183CC..SBendtrans-132.7133.8176.1-51.90000109.6T113 R117 T118 I119 R153T113-T115 PolarHBondContact O-N 3.46Å; T115-R117 VanDerWaalsContact C-N 3.3Å; T115-R117 HydrophobicContact CG2-CG 3.78Å; T115-R117 PolarHBondContact O-N 2.85Å; T115-R117 VanDerWaalsContact O-N 3.15Å; T115-T118 PolarHBondContact O-N 2.9Å; T115-T118 PolarHBondContact O-OG1 3.26Å; T115-I119 PolarHBondContact O-N 3.34Å; T115-R153 WeakPolarHBondContact OG1-CD 3.31Å
116N96.1Very high97.3Very high93 Ų9331.1 Ų31.150%0.49715%0.153SC..Hα-helixtrans-48.6-48.6-177.9-70-11.1000113.2E57 T118 I119 V120E57-N116 WeakPolarHBondContact OE1-CB 3.25Å; E57-N116 PolarHBondContact OE1-ND2 2.89Å; E57-N116 WeakPolarHBondContact OE2-CB 3.39Å; N116-T118 VanDerWaalsContact C-N 3.31Å; N116-T118 PolarHBondContact O-N 2.97Å; N116-I119 PolarHBondContact O-N 2.9Å; N116-V120 WeakPolarHBondContact O-CB 3.41Å; N116-V120 VanDerWaalsContact O-CG2 3.22Å; N116-V120 WeakPolarHBondContact O-CG2 3.5Å; N116-V120 PolarHBondContact O-N 3.22Å
117R95Very high97.2Very high30 Ų3027.6 Ų27.611%0.11314%0.138CC..Hα-helixtrans-61.4-31.8-179.262.6175.1173.2-80.4-5.2114.8H31 G56 L58 T115 S121H31-R117 HydrophobicContact CB-CG 4.48Å; H31-R117 WeakPolarHBondContact NE2-CD 3.21Å; H31-R117 PolarHBondContact NE2-NE 2.88Å; G56-R117 WeakPolarHBondContact O-CD 3.36Å; G56-R117 PolarHBondContact O-NH1 2.94Å; G56-R117 VanDerWaalsContact O-NH1 3.11Å; L58-R117 HydrophobicContact CB-CB 4.16Å; T115-R117 VanDerWaalsContact C-N 3.3Å; T115-R117 HydrophobicContact CG2-CG 3.78Å; T115-R117 PolarHBondContact O-N 2.85Å; T115-R117 VanDerWaalsContact O-N 3.15Å; R117-S121 VanDerWaalsContact O-CB 3.22Å; R117-S121 WeakPolarHBondContact O-CB 3.41Å; R117-S121 PolarHBondContact O-N 3.31Å; R117-S121 VanDerWaalsContact O-N 3.15Å; R117-S121 PolarHBondContact O-OG 3.19Å
118T97.4Very high97Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-83.7-41179.348.20000110.4H31 S112 T113 T115 N116 V120 S121 A122 S258 A259H31-T118 HydrophobicContact CB-CG2 4.07Å; S112-T118 WeakPolarHBondContact OG-CB 3.38Å; S112-T118 PolarHBondContact OG-O 2.85Å; S112-T118 PolarHBondContact OG-OG1 2.8Å; T113-T118 PolarHBondContact O-OG1 3.32Å; T113-T118 VanDerWaalsContact O-OG1 3.06Å; T113-T118 WeakPolarHBondContact OG1-CB 3.3Å; T113-T118 WeakPolarHBondContact OG1-CG2 3.5Å; T113-T118 PolarHBondContact OG1-OG1 3.48Å; T115-T118 PolarHBondContact O-N 2.9Å; T115-T118 PolarHBondContact O-OG1 3.26Å; N116-T118 VanDerWaalsContact C-N 3.31Å; N116-T118 PolarHBondContact O-N 2.97Å; T118-V120 PolarHBondContact O-N 3.47Å; T118-S121 WeakPolarHBondContact O-CB 3.44Å; T118-S121 PolarHBondContact O-N 2.89Å; T118-A122 PolarHBondContact O-N 2.95Å; T118-S258 PolarHBondContact O-OG 2.92Å; T118-A259 WeakPolarHBondContact CG2-O 3.49Å
119I98.2Very high96.9Very high43 Ų4327 Ų2722%0.22114%0.135CC..Hα-helixtrans-60-49.7174-64.4169.3000110.8S112 T115 N116 S121 A122 L123S112-I119 PolarHBondContact OG-N 3.02Å; T115-I119 PolarHBondContact O-N 3.34Å; N116-I119 PolarHBondContact O-N 2.9Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.86Å; I119-A122 WeakPolarHBondContact O-CB 3.45Å; I119-A122 PolarHBondContact O-N 2.87Å; I119-L123 HydrophobicContact CG2-CD1 4.16Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.37Å
120V96.4Very high96.8Very high42 Ų4222.8 Ų22.826%0.25512%0.119SC..Hα-helixtrans-64-39.2177.8175.90000110.8L58 M82 N116 T118 A122 L123 V124L58-V120 HydrophobicContact CD2-CB 4.21Å; L58-V120 HydrophobicContact CD2-CG1 3.71Å; M82-V120 HydrophobicContact CE-CG1 3.7Å; M82-V120 HydrophobicContact CG-CG1 4.43Å; N116-V120 WeakPolarHBondContact O-CB 3.41Å; N116-V120 VanDerWaalsContact O-CG2 3.22Å; N116-V120 WeakPolarHBondContact O-CG2 3.5Å; N116-V120 PolarHBondContact O-N 3.22Å; T118-V120 PolarHBondContact O-N 3.47Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.31Å; V120-L123 PolarHBondContact O-N 3.28Å; V120-V124 HydrophobicContact CG1-CG2 4.29Å; V120-V124 VanDerWaalsContact O-CG2 3.29Å; V120-V124 WeakPolarHBondContact O-CG2 3.31Å; V120-V124 PolarHBondContact O-N 3.08Å
121S97.9Very high96.3Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-57.9-45.7173.2-69.60000111.4H31 G32 L58 R117 T118 I119 V124 N125H31-S121 WeakPolarHBondContact CA-OG 3.32Å; H31-S121 WeakPolarHBondContact CB-OG 3.29Å; G32-S121 PolarHBondContact N-OG 3.45Å; L58-S121 WeakPolarHBondContact CD1-OG 3.35Å; R117-S121 VanDerWaalsContact O-CB 3.22Å; R117-S121 WeakPolarHBondContact O-CB 3.41Å; R117-S121 PolarHBondContact O-N 3.31Å; R117-S121 VanDerWaalsContact O-N 3.15Å; R117-S121 PolarHBondContact O-OG 3.19Å; T118-S121 WeakPolarHBondContact O-CB 3.44Å; T118-S121 PolarHBondContact O-N 2.89Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 2.86Å; S121-V124 PolarHBondContact O-N 3.27Å; S121-N125 WeakPolarHBondContact O-CB 3.38Å; S121-N125 PolarHBondContact O-N 3.48Å
122A98.5Very high95.5Very high0 Ų023.5 Ų23.50%013%0.128CC..Hα-helixtrans-61.6-46.817800000112.5W29 V110 T118 I119 V120 V124 N125 L126 V148W29-A122 HydrophobicContact CZ2-CB 4.3Å; V110-A122 HydrophobicContact CG1-CB 4.37Å; T118-A122 PolarHBondContact O-N 2.95Å; I119-A122 WeakPolarHBondContact O-CB 3.45Å; I119-A122 PolarHBondContact O-N 2.87Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.31Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 2.79Å; A122-N125 PolarHBondContact O-N 2.83Å; A122-L126 WeakPolarHBondContact O-CB 3.4Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 WeakPolarHBondContact O-CG 3.35Å; A122-L126 PolarHBondContact O-N 2.75Å; A122-V148 HydrophobicContact CB-CG1 3.89Å; A122-V148 HydrophobicContact CB-CG2 3.9Å
123L97.5Very high94.1Very high63 Ų6330.9 Ų30.933%0.3316%0.16SC..Hα-helixtrans-59.9-42.7178.9-69170000112.2I119 V120 H127 V148I119-L123 HydrophobicContact CG2-CD1 4.16Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.37Å; V120-L123 PolarHBondContact O-N 3.28Å; L123-H127 PolarHBondContact O-N 2.89Å; L123-H127 VanDerWaalsContact O-N 3.15Å; L123-V148 HydrophobicContact CD2-CG2 3.86Å; L123-V148 HydrophobicContact CG-CG2 4.27Å
124V95.9Very high92.6Very high30 Ų3034 Ų3418%0.18219%0.192CC..Hα-helixtrans-74.8-37.6-179.4179.60000111.6M82 Q85 L86 V120 S121 A122 H127 G128M82-V124 HydrophobicContact CB-CG1 4.44Å; M82-V124 HydrophobicContact CB-CG2 4.48Å; M82-V124 HydrophobicContact CG-CG2 4.3Å; M82-V124 WeakPolarHBondContact O-CG1 3.41Å; Q85-V124 HydrophobicContact CB-CB 4.36Å; Q85-V124 HydrophobicContact CB-CG1 4.34Å; L86-V124 HydrophobicContact CB-CG1 3.77Å; V120-V124 HydrophobicContact CG1-CG2 4.29Å; V120-V124 VanDerWaalsContact O-CG2 3.29Å; V120-V124 WeakPolarHBondContact O-CG2 3.31Å; V120-V124 PolarHBondContact O-N 3.08Å; S121-V124 PolarHBondContact O-N 3.27Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 2.79Å; V124-H127 WeakPolarHBondContact O-CB 3.42Å; V124-H127 PolarHBondContact O-N 2.85Å; V124-G128 PolarHBondContact O-N 3.5Å
125N97.5Very high90.7Very high0 Ų037.7 Ų37.70%022%0.217CC..Hα-helixtrans-60.6-47.5173.1-172.7-53.1000111W29 Q85 L88 G89 S121 A122 H127 G128 M129W29-N125 HydrophobicContact CZ2-CB 4.04Å; Q85-N125 HydrophobicContact CB-CB 4.4Å; Q85-N125 WeakPolarHBondContact O-CA 3.25Å; Q85-N125 PolarHBondContact OE1-ND2 3.49Å; L88-N125 WeakPolarHBondContact CD2-ND2 3.32Å; L88-N125 WeakPolarHBondContact CG-ND2 3.22Å; G89-N125 WeakPolarHBondContact CA-O 3.18Å; G89-N125 WeakPolarHBondContact CA-OD1 3.23Å; S121-N125 WeakPolarHBondContact O-CB 3.38Å; S121-N125 PolarHBondContact O-N 3.48Å; A122-N125 PolarHBondContact O-N 2.83Å; N125-H127 VanDerWaalsContact C-N 3.25Å; N125-H127 PolarHBondContact O-N 2.89Å; N125-G128 CarbonylContact O-C 3.52Å; N125-G128 WeakPolarHBondContact O-CA 3.47Å; N125-G128 PolarHBondContact O-N 2.96Å; N125-M129 PolarHBondContact O-N 3.26Å
126L97.5Very high89.2Confident5 Ų542.7 Ų42.73%0.02624%0.244CC..Hα-helixtrans-61.7-32177.6-74.6168.4000113.3V110 A122 G128 M129 F130 I146 V148V110-L126 HydrophobicContact CB-CD1 4.34Å; V110-L126 HydrophobicContact CG1-CD1 4.16Å; V110-L126 HydrophobicContact CG2-CD1 3.87Å; V110-L126 HydrophobicContact CG2-CD2 3.86Å; V110-L126 HydrophobicContact CG2-CG 4.36Å; A122-L126 WeakPolarHBondContact O-CB 3.4Å; A122-L126 WeakPolarHBondContact O-CD1 3.46Å; A122-L126 WeakPolarHBondContact O-CG 3.35Å; A122-L126 PolarHBondContact O-N 2.75Å; L126-G128 VanDerWaalsContact C-N 3.32Å; L126-M129 PolarHBondContact O-N 2.86Å; L126-F130 HydrophobicContact CD2-CD2 3.77Å; L126-F130 HydrophobicContact CD2-CE2 3.74Å; L126-F130 PolarHBondContact O-N 2.91Å; L126-I146 HydrophobicContact CB-CD1 4.22Å; L126-I146 HydrophobicContact CD1-CB 3.98Å; L126-I146 HydrophobicContact CD1-CG2 3.69Å; L126-I146 HydrophobicContact CD2-CD1 4.33Å; L126-I146 HydrophobicContact CD2-CG2 4.18Å; L126-I146 HydrophobicContact CG-CG2 4.43Å; L126-V148 HydrophobicContact CD1-CG2 3.84Å
127H94.5Very high87.9Confident50 Ų5039.3 Ų39.323%0.23123%0.229CC..Hα-helixtrans-63.3-38.6171-179.647.3000112.5L86 L123 V124 N125 S142 W143L86-H127 HydrophobicContact CD1-CB 4.47Å; L123-H127 PolarHBondContact O-N 2.89Å; L123-H127 VanDerWaalsContact O-N 3.15Å; V124-H127 WeakPolarHBondContact O-CB 3.42Å; V124-H127 PolarHBondContact O-N 2.85Å; N125-H127 VanDerWaalsContact C-N 3.25Å; N125-H127 PolarHBondContact O-N 2.89Å; H127-S142 PolarHBondContact CE1-O 3.2Å; H127-S142 PolarHBondContact CE1-OG 3.4Å; H127-S142 PolarHBondContact ND1-O 2.97Å; H127-W143 AromaticContact CG-CD1 3.87Å; H127-W143 AromaticContact ND1-CD1 3.74Å
128G94.4Very high87Confident5 Ų545.8 Ų45.85%0.05227%0.265CS..Hα-helixtrans-71-38.6173.900000113.2G89 V124 N125 L126G89-G128 VanDerWaalsContact C-C 3.44Å; G89-G128 CarbonylContact O-C 3.57Å; V124-G128 PolarHBondContact O-N 3.5Å; N125-G128 CarbonylContact O-C 3.52Å; N125-G128 WeakPolarHBondContact O-CA 3.47Å; N125-G128 PolarHBondContact O-N 2.96Å; L126-G128 VanDerWaalsContact C-N 3.32Å
129M95.9Very high86.3Confident0 Ų050.3 Ų50.30%029%0.289CS..Hα-helixtrans-73.2-38.6-178.2-176.964.7-165.200112.9G89 L92 H93 Y96 N125 L126 Y254G89-M129 VanDerWaalsContact O-CA 3.32Å; G89-M129 WeakPolarHBondContact O-CA 3.27Å; G89-M129 PolarHBondContact O-N 2.73Å; L92-M129 HydrophobicContact CB-SD 3.53Å; L92-M129 VanDerWaalsContact CB-SD 3.53Å; H93-M129 VanDerWaalsContact CA-SD 3.56Å; H93-M129 HydrophobicContact CB-SD 4.2Å; H93-M129 PolarHBondContact N-SD 3.26Å; H93-M129 PolarHBondContact ND1-O 3.34Å; Y96-M129 HydrophobicContact CD2-CE 4.24Å; N125-M129 PolarHBondContact O-N 3.26Å; L126-M129 PolarHBondContact O-N 2.86Å; M129-Y254 HydrophobicContact CE-CD2 4.19Å; M129-Y254 HydrophobicContact CE-CE2 3.89Å; M129-Y254 HydrophobicContact SD-CE2 4.34Å
130F94.7Very high85.5Confident2 Ų255.6 Ų55.61%0.00932%0.317CS..SBendtrans-131.566.9-174.3-56.5-66.5000111.2L100 V108 L126 S132 Q144 I146L100-F130 HydrophobicContact CD2-CE1 3.92Å; L100-F130 HydrophobicContact CD2-CZ 3.82Å; L100-F130 HydrophobicContact CG-CE1 4.02Å; L100-F130 HydrophobicContact CG-CZ 4.43Å; V108-F130 HydrophobicContact CG1-CE2 4.04Å; V108-F130 HydrophobicContact CG1-CZ 4.41Å; V108-F130 HydrophobicContact CG2-CE1 4.24Å; V108-F130 HydrophobicContact CG2-CE2 3.95Å; V108-F130 HydrophobicContact CG2-CZ 3.56Å; L126-F130 HydrophobicContact CD2-CD2 3.77Å; L126-F130 HydrophobicContact CD2-CE2 3.74Å; L126-F130 PolarHBondContact O-N 2.91Å; F130-S132 PolarHBondContact O-N 2.94Å; F130-Q144 PolarHBondContact O-NE2 3.15Å; F130-I146 HydrophobicContact CB-CD1 3.76Å; F130-I146 HydrophobicContact CD2-CD1 3.62Å; F130-I146 HydrophobicContact CG-CD1 4.03Å
131P88.5Confident85Confident35 Ų3557.1 Ų57.123%0.22733%0.326CS..  trans-64132.917827.5-34000110.5K133P131-K133 PolarHBondContact O-N 3.45Å
132S82.2Confident84.3Confident14 Ų1460.5 Ų60.510%0.09835%0.35CS..  trans-76.5117.5171-169.60000108.7F130 A137 S142F130-S132 PolarHBondContact O-N 2.94Å; S132-A137 VanDerWaalsContact OG-CA 3.22Å; S132-A137 WeakPolarHBondContact OG-CA 3.23Å; S132-A137 WeakPolarHBondContact OG-CB 3.23Å; S132-S142 PolarHBondContact N-O 3.42Å; S132-S142 WeakPolarHBondContact O-CA 3.41Å
133K70.2Confident83.7Confident154 Ų15465.3 Ų65.367%0.6737%0.368SS*.  trans-119.5137.7-179.5-70.7-176.3-178.7172.30110.9P131P131-K133 PolarHBondContact O-N 3.45Å
134G64.8Low83.3Confident66 Ų6664.7 Ų64.768%0.6836%0.364SS*.G310 helixtrans73.5-142.7165.500000114.6D136 A137G134-D136 PolarHBondContact O-N 3.38Å; G134-D136 VanDerWaalsContact O-N 3.13Å; G134-A137 WeakPolarHBondContact O-CB 3.36Å; G134-A137 PolarHBondContact O-N 3.01Å
135T56.8Low83.1Confident144 Ų14467.2 Ų67.288%0.88338%0.38SS*.G310 helixtrans-62-16.3-176.745.80000114A137T135-A137 VanDerWaalsContact C-N 3.33Å
136D63.6Low83Confident121 Ų12167.8 Ų67.865%0.64738%0.383SS*.G310 helixtrans-86.3-6.7-178.5-58.2-16.6000112.5G134 L138G134-D136 PolarHBondContact O-N 3.38Å; G134-D136 VanDerWaalsContact O-N 3.13Å; D136-L138 VanDerWaalsContact C-N 3.29Å; D136-L138 PolarHBondContact O-N 3.13Å
137A69.6Low83Confident22 Ų2270.6 Ų70.618%0.18240%0.402CS..  trans-76.377.6177.100000111.7S132 G134 T135 L139 N140S132-A137 VanDerWaalsContact OG-CA 3.22Å; S132-A137 WeakPolarHBondContact OG-CA 3.23Å; S132-A137 WeakPolarHBondContact OG-CB 3.23Å; G134-A137 WeakPolarHBondContact O-CB 3.36Å; G134-A137 PolarHBondContact O-N 3.01Å; T135-A137 VanDerWaalsContact C-N 3.33Å; A137-L139 PolarHBondContact O-N 2.95Å; A137-N140 PolarHBondContact O-N 3.08Å
138L75.4Confident83.2Confident166 Ų16669.8 Ų69.887%0.86940%0.401SS*.THydrogen-bonded Turntrans-52.7-30.8-178.9-164.1107.8000113.7D136D136-L138 VanDerWaalsContact C-N 3.29Å; D136-L138 PolarHBondContact O-N 3.13Å
139L81.7Confident83.4Confident95 Ų9573.9 Ų73.950%0.49742%0.418SS..THydrogen-bonded Turntrans-97.85-176.8-61.2179.1000113.8A137 V141 W143A137-L139 PolarHBondContact O-N 2.95Å; L139-V141 HydrophobicContact CB-CG2 3.74Å; L139-V141 PolarHBondContact O-N 2.96Å; L139-W143 HydrophobicContact CD1-CE3 4.32Å; L139-W143 HydrophobicContact CD1-CZ3 4.19Å
140N83Confident83.5Confident154 Ų15476.7 Ų76.782%0.82444%0.436SS*.SBendtrans53.631.3-174.1-163.239.8000113.7A137A137-N140 PolarHBondContact O-N 3.08Å
141V84.7Confident83.5Confident74 Ų7478.8 Ų78.845%0.44845%0.448SS..SBendtrans-133.1155.8172.6-67.20000108.6L139 W143L139-V141 HydrophobicContact CB-CG2 3.74Å; L139-V141 PolarHBondContact O-N 2.96Å; V141-W143 HydrophobicContact CG2-CB 4.24Å; V141-W143 PolarHBondContact O-N 3.27Å; V141-W143 VanDerWaalsContact O-N 3.08Å
142S83.9Confident83.7Confident71 Ų7180.4 Ų80.450%0.49746%0.459SS..SBendtrans-70.70.317855.30000113.9H127 S132H127-S142 PolarHBondContact CE1-O 3.2Å; H127-S142 PolarHBondContact CE1-OG 3.4Å; H127-S142 PolarHBondContact ND1-O 2.97Å; S132-S142 PolarHBondContact N-O 3.42Å; S132-S142 WeakPolarHBondContact O-CA 3.41Å
143W86.3Confident84Confident100 Ų10084.5 Ų84.538%0.37947%0.472SS..  trans-103.8143-178.2-179.987.4000111.2H127 L139 V141 P145H127-W143 AromaticContact CG-CD1 3.87Å; H127-W143 AromaticContact ND1-CD1 3.74Å; L139-W143 HydrophobicContact CD1-CE3 4.32Å; L139-W143 HydrophobicContact CD1-CZ3 4.19Å; V141-W143 HydrophobicContact CG2-CB 4.24Å; V141-W143 PolarHBondContact O-N 3.27Å; V141-W143 VanDerWaalsContact O-N 3.08Å; W143-P145 VanDerWaalsContact CH2-CA 3.46Å; W143-P145 HydrophobicContact CH2-CB 3.64Å; W143-P145 HydrophobicContact CZ2-CB 4.36Å; W143-P145 HydrophobicContact CZ3-CB 4Å; W143-P145 HydrophobicContact CZ3-CG 4.41Å
144Q89Confident84.6Confident51 Ų5181.2 Ų81.224%0.23846%0.456CS..  trans-127.1145.5171.661.8-179.7-42.700110.2F130 I146F130-Q144 PolarHBondContact O-NE2 3.15Å; Q144-I146 HydrophobicContact CG-CD1 4.15Å; Q144-I146 HydrophobicContact CG-CG1 4.13Å; Q144-I146 PolarHBondContact O-N 3.3Å
145P91.5Very high85.6Confident82 Ų8284.1 Ų84.153%0.53245%0.45SS..  trans-70.8119.6176.128.2-32.8000110.4W143W143-P145 VanDerWaalsContact CH2-CA 3.46Å; W143-P145 HydrophobicContact CH2-CB 3.64Å; W143-P145 HydrophobicContact CZ2-CB 4.36Å; W143-P145 HydrophobicContact CZ3-CB 4Å; W143-P145 HydrophobicContact CZ3-CG 4.41Å
146I95.6Very high87.2Confident12 Ų1277.2 Ų77.26%0.06241%0.408CS..  trans-119.4125.8172.2-62.6174.9000108Y103 L126 F130 Q144 V148Y103-I146 HydrophobicContact CD1-CD1 4.41Å; Y103-I146 HydrophobicContact CD1-CG1 4.05Å; Y103-I146 HydrophobicContact CD2-CD1 3.9Å; Y103-I146 HydrophobicContact CD2-CG1 3.97Å; Y103-I146 HydrophobicContact CD2-CG2 3.97Å; Y103-I146 HydrophobicContact CE1-CG1 4.26Å; Y103-I146 HydrophobicContact CE2-CB 4.45Å; Y103-I146 HydrophobicContact CE2-CG1 4.2Å; Y103-I146 HydrophobicContact CE2-CG2 3.65Å; Y103-I146 HydrophobicContact CG-CD1 3.82Å; Y103-I146 HydrophobicContact CG-CG1 3.9Å; L126-I146 HydrophobicContact CB-CD1 4.22Å; L126-I146 HydrophobicContact CD1-CB 3.98Å; L126-I146 HydrophobicContact CD1-CG2 3.69Å; L126-I146 HydrophobicContact CD2-CD1 4.33Å; L126-I146 HydrophobicContact CD2-CG2 4.18Å; L126-I146 HydrophobicContact CG-CG2 4.43Å; F130-I146 HydrophobicContact CB-CD1 3.76Å; F130-I146 HydrophobicContact CD2-CD1 3.62Å; F130-I146 HydrophobicContact CG-CD1 4.03Å; Q144-I146 HydrophobicContact CG-CD1 4.15Å; Q144-I146 HydrophobicContact CG-CG1 4.13Å; Q144-I146 PolarHBondContact O-N 3.3Å; I146-V148 PolarHBondContact O-N 3.39Å
147P97.5Very high88.3Confident65 Ų6577.1 Ų77.142%0.42240%0.401SS..  trans-60.4134-179.7-2333.2000112.4Y103Y103-P147 WeakPolarHBondContact OH-CD 3.2Å
148V98.5Very high89.3Confident33 Ų3377 Ų7720%0.240%0.398CS..  trans-116.6109.8169.7178.50000107.4V110 A122 L123 L126 I146V110-V148 HydrophobicContact CG1-CG1 4.32Å; V110-V148 HydrophobicContact CG1-CG2 4.2Å; A122-V148 HydrophobicContact CB-CG1 3.89Å; A122-V148 HydrophobicContact CB-CG2 3.9Å; L123-V148 HydrophobicContact CD2-CG2 3.86Å; L123-V148 HydrophobicContact CG-CG2 4.27Å; L126-V148 HydrophobicContact CD1-CG2 3.84Å; I146-V148 PolarHBondContact O-N 3.39Å
149H98.5Very high90.2Very high90 Ų9069.1 Ų69.142%0.41736%0.356SS..EExtended strand (participates in β ladder)trans-81.3148.8-178.9-58.8-71.9000111Y109 V110 R111 S112Y109-H149 AromaticContact CD2-CD2 3.84Å; Y109-H149 AromaticContact CE2-CD2 3.43Å; Y109-H149 VanDerWaalsContact CE2-CD2 3.43Å; Y109-H149 WeakPolarHBondContact CE2-CD2 3.36Å; V110-H149 WeakPolarHBondContact O-CB 3.39Å; V110-H149 PolarHBondContact O-CD2 3.09Å; V110-H149 PolarHBondContact O-N 2.86Å; R111-H149 CarbonylContact C-O 3.56Å; R111-H149 VanDerWaalsContact CA-O 3.27Å; R111-H149 WeakPolarHBondContact CA-O 3.18Å; S112-H149 PolarHBondContact N-O 2.76Å
150T98Very high90.5Very high60 Ų6064.7 Ų64.737%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-144.1164.2177-162.30000112S112 D114S112-T150 WeakPolarHBondContact O-CA 3.45Å; S112-T150 WeakPolarHBondContact O-CB 3.42Å; S112-T150 PolarHBondContact O-OG1 3.22Å; D114-T150 WeakPolarHBondContact CA-OG1 3.21Å; D114-T150 HydrophobicContact CB-CG2 4.2Å; D114-T150 VanDerWaalsContact CB-OG1 3.25Å; D114-T150 WeakPolarHBondContact CB-OG1 3.3Å; D114-T150 PolarHBondContact N-OG1 2.85Å
151V94.4Very high90.5Very high45 Ų4557.8 Ų57.827%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-128.8135171.9176.60000106.3D114 R153 F155 D156D114-V151 VanDerWaalsContact CB-O 3.31Å; D114-V151 WeakPolarHBondContact CB-O 3.49Å; V151-R153 PolarHBondContact O-N 3.29Å; V151-F155 HydrophobicContact CG1-CB 4.05Å; V151-D156 HydrophobicContact CB-CB 4.13Å; V151-D156 HydrophobicContact CG1-CB 4.22Å
152P91.6Very high90Very high70 Ų7056.3 Ų56.346%0.45529%0.288SS..  trans-52.5133.2179.2-2431.5000111.1R154 F155 D156P152-R154 PolarHBondContact O-N 3.26Å; P152-F155 HydrophobicContact CB-CD2 4.05Å; P152-F155 HydrophobicContact CG-CD2 4.44Å; P152-F155 PolarHBondContact O-N 3.29Å; P152-D156 PolarHBondContact O-N 2.87Å
153R89.4Confident89.7Confident100 Ų10054.7 Ų54.738%0.37728%0.276SS..G310 helixtrans-46-43.4-167.1-68.4174.363.2-155-3.3114.5D114 T115 V151 F155 D156 E160 S163D114-R153 HydrophobicContact CB-CG 4.06Å; D114-R153 WeakPolarHBondContact O-CD 3.35Å; D114-R153 VanDerWaalsContact O-CG 3.29Å; D114-R153 WeakPolarHBondContact O-CG 3.2Å; T115-R153 WeakPolarHBondContact OG1-CD 3.31Å; V151-R153 PolarHBondContact O-N 3.29Å; R153-F155 PolarHBondContact O-N 3.06Å; R153-D156 PolarHBondContact O-N 2.79Å; R153-E160 HydrophobicContact CB-CG 4.32Å; R153-E160 IonicContact NE-OE2 2.81Å; R153-E160 PolarHBondContact NE-OE2 3.27Å; R153-S163 PolarHBondContact NH2-OG 2.82Å
154R82.9Confident89.3Confident84 Ų8450.4 Ų50.432%0.31726%0.262SS..G310 helixtrans-59.1-28.9-179.7-170.1176.8-177.7114.89.3113.5P152 Y165 G354P152-R154 PolarHBondContact O-N 3.26Å; R154-Y165 HydrophobicContact CG-CG 4.5Å; R154-Y165 VanDerWaalsContact NH2-CD2 3.25Å; R154-Y165 WeakPolarHBondContact O-CB 3.26Å; R154-Y165 PolarHBondContact O-N 3Å; R154-G354 VanDerWaalsContact NH1-CA 3.34Å; R154-G354 PolarHBondContact NH1-O 3.36Å
155F85.7Confident88.8Confident127 Ų12750.6 Ų50.656%0.55726%0.261SS*.G310 helixtrans-106.4-0.4-177.1-52.2-61.9000112.9V151 P152 R153 K157V151-F155 HydrophobicContact CG1-CB 4.05Å; P152-F155 HydrophobicContact CB-CD2 4.05Å; P152-F155 HydrophobicContact CG-CD2 4.44Å; P152-F155 PolarHBondContact O-N 3.29Å; R153-F155 PolarHBondContact O-N 3.06Å; F155-K157 PolarHBondContact O-N 2.83Å
156D90.8Very high88.3Confident0 Ų046.9 Ų46.90%024%0.237CC..  trans-83.281.2-179.4-167.3-26.5000111.6R111 V151 P152 R153 L158 L159 E160 S164R111-D156 IonicContact CZ-OD1 3.53Å; R111-D156 IonicContact CZ-OD2 3.63Å; R111-D156 IonicContact NE-OD2 2.77Å; R111-D156 IonicContact NH2-OD1 3.53Å; R111-D156 PolarHBondContact NH2-OD1 2.89Å; R111-D156 IonicContact NH2-OD2 2.75Å; R111-D156 PolarHBondContact NH2-OD2 2.83Å; V151-D156 HydrophobicContact CB-CB 4.13Å; V151-D156 HydrophobicContact CG1-CB 4.22Å; P152-D156 PolarHBondContact O-N 2.87Å; R153-D156 PolarHBondContact O-N 2.79Å; D156-L158 PolarHBondContact O-N 2.78Å; D156-L158 PolarHBondContact OD1-N 2.92Å; D156-L159 PolarHBondContact OD1-N 3.13Å; D156-E160 HydrophobicContact CB-CB 3.82Å; D156-E160 WeakPolarHBondContact O-CB 3.43Å; D156-E160 PolarHBondContact O-N 2.84Å; D156-S164 VanDerWaalsContact O-CB 3.31Å; D156-S164 WeakPolarHBondContact O-CB 3.35Å
157K87Confident87.5Confident119 Ų11948 Ų4852%0.51724%0.244SC..THydrogen-bonded Turntrans-72.30.3175.264.2175.8-179.3174.60115.4F155 W340F155-K157 PolarHBondContact O-N 2.83Å; K157-W340 HydrophobicContact CB-CD2 3.83Å; K157-W340 HydrophobicContact CB-CE3 3.8Å; K157-W340 HydrophobicContact CB-CH2 3.95Å; K157-W340 HydrophobicContact CB-CZ2 3.91Å; K157-W340 HydrophobicContact CB-CZ3 3.9Å; K157-W340 HydrophobicContact CD-CB 4.5Å; K157-W340 HydrophobicContact CD-CD2 4.23Å; K157-W340 HydrophobicContact CD-CE3 4.26Å; K157-W340 HydrophobicContact CD-CG 4.32Å
158L90.4Very high86.7Confident19 Ų1948.3 Ų48.310%0.09924%0.238CC..THydrogen-bonded Turntrans-105.8-49.9-175.1-163.479.6000111.8D156 P231 L232 D235 Y257D156-L158 PolarHBondContact O-N 2.78Å; D156-L158 PolarHBondContact OD1-N 2.92Å; L158-P231 HydrophobicContact CD1-CB 4Å; L158-L232 HydrophobicContact CD1-CB 4.22Å; L158-L232 HydrophobicContact CD1-CD1 4.29Å; L158-L232 HydrophobicContact CD2-CD1 3.8Å; L158-L232 HydrophobicContact CG-CB 4.22Å; L158-L232 HydrophobicContact CG-CD1 3.81Å; L158-D235 HydrophobicContact CD1-CB 3.93Å; L158-Y257 HydrophobicContact CD2-CE1 4Å
159L93Very high85.7Confident0 Ų048.3 Ų48.30%024%0.238CC..THydrogen-bonded Turntrans-108.4-26.7-172.8-60.4-174.7000113.2R111 T113 D156 V161 L232 Y257 A259 T263R111-L159 HydrophobicContact CB-CD1 4.3Å; R111-L159 HydrophobicContact CG-CD1 3.8Å; T113-L159 HydrophobicContact CG2-CB 3.42Å; T113-L159 VanDerWaalsContact CG2-CB 3.42Å; D156-L159 PolarHBondContact OD1-N 3.13Å; L159-V161 PolarHBondContact O-N 3.2Å; L159-L232 HydrophobicContact CD2-CD1 3.95Å; L159-L232 HydrophobicContact CD2-CD2 3.77Å; L159-L232 HydrophobicContact CD2-CG 4.49Å; L159-Y257 HydrophobicContact CD1-CD1 4.14Å; L159-Y257 HydrophobicContact CD2-CD1 3.7Å; L159-Y257 HydrophobicContact CD2-CG 4.09Å; L159-Y257 HydrophobicContact CG-CD1 4.37Å; L159-A259 HydrophobicContact CB-CB 4.37Å; L159-T263 HydrophobicContact CD2-CG2 4.47Å; L159-T263 PolarHBondContact O-OG1 3.19Å
160E89Confident84.8Confident3 Ų347.6 Ų47.61%0.01424%0.237CC..  trans-95.195.3-176.3-178.663-110.600111.1T113 R153 D156 T162 S163 S164 H260T113-E160 HydrophobicContact CG2-CB 4.19Å; R153-E160 HydrophobicContact CB-CG 4.32Å; R153-E160 IonicContact NE-OE2 2.81Å; R153-E160 PolarHBondContact NE-OE2 3.27Å; D156-E160 HydrophobicContact CB-CB 3.82Å; D156-E160 WeakPolarHBondContact O-CB 3.43Å; D156-E160 PolarHBondContact O-N 2.84Å; E160-T162 PolarHBondContact OE1-N 3.05Å; E160-T162 PolarHBondContact OE1-OG1 3.12Å; E160-S163 VanDerWaalsContact CD-CB 3.44Å; E160-S163 WeakPolarHBondContact OE1-CB 3.48Å; E160-S163 PolarHBondContact OE1-N 3.49Å; E160-S163 VanDerWaalsContact OE1-N 3.15Å; E160-S163 PolarHBondContact OE1-OG 3.06Å; E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-OG 3.17Å; E160-H260 IonicContact OE2-NE2 3.23Å
161V82.1Confident84Confident8 Ų846.8 Ų46.85%0.04824%0.235CC..THydrogen-bonded Turntrans-70.5-38.8-179.5-165.10000112.1L159 L228 I229 A266L159-V161 PolarHBondContact O-N 3.2Å; V161-L228 HydrophobicContact CG1-CB 4.24Å; V161-I229 HydrophobicContact CB-CG1 4.34Å; V161-I229 HydrophobicContact CG1-CG1 4.35Å; V161-I229 HydrophobicContact CG2-CD1 3.26Å; V161-I229 HydrophobicContact CG2-CG1 3.34Å; V161-A266 HydrophobicContact CG2-CB 4.34Å
162T75.8Confident83.5Confident44 Ų4447 Ų4727%0.2723%0.233SC..THydrogen-bonded Turntrans-99.4-17.2-160.964.10000113.3E160 I225 T262E160-T162 PolarHBondContact OE1-N 3.05Å; E160-T162 PolarHBondContact OE1-OG1 3.12Å; T162-I225 HydrophobicContact CG2-CB 4.36Å; T162-I225 HydrophobicContact CG2-CD1 3.46Å; T162-I225 VanDerWaalsContact CG2-CD1 3.46Å; T162-I225 HydrophobicContact CG2-CG1 4.41Å; T162-I225 HydrophobicContact CG2-CG2 4.47Å; T162-T262 HydrophobicContact CG2-CG2 3.65Å
163S76.8Confident83Confident37 Ų3745 Ų4526%0.25922%0.218SC..THydrogen-bonded Turntrans-127.7-3.1-172.2-33.30000112.8R153 E160R153-S163 PolarHBondContact NH2-OG 2.82Å; E160-S163 VanDerWaalsContact CD-CB 3.44Å; E160-S163 WeakPolarHBondContact OE1-CB 3.48Å; E160-S163 PolarHBondContact OE1-N 3.49Å; E160-S163 VanDerWaalsContact OE1-N 3.15Å; E160-S163 PolarHBondContact OE1-OG 3.06Å
164S78.5Confident82.7Confident10 Ų1045.4 Ų45.47%0.0722%0.222CC..SBendtrans-70.4142.2171.161.80000108.8D156 E160 C166D156-S164 VanDerWaalsContact O-CB 3.31Å; D156-S164 WeakPolarHBondContact O-CB 3.35Å; E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-OG 3.17Å; S164-C166 PolarHBondContact O-N 3.04Å
165Y77.8Confident82.8Confident55 Ų5546.7 Ų46.722%0.21624%0.236CC..SBendtrans-77.4102.5-171.9-167.7-119.7000111.2R154 W340 I346 L350R154-Y165 HydrophobicContact CG-CG 4.5Å; R154-Y165 VanDerWaalsContact NH2-CD2 3.25Å; R154-Y165 WeakPolarHBondContact O-CB 3.26Å; R154-Y165 PolarHBondContact O-N 3Å; Y165-W340 PolarHBondContact O-NE1 3.17Å; Y165-I346 HydrophobicContact CD1-CD1 4.07Å; Y165-I346 HydrophobicContact CD1-CG1 4.27Å; Y165-I346 HydrophobicContact CE1-CG1 4.39Å; Y165-I346 HydrophobicContact CE1-CG2 4.29Å; Y165-L350 HydrophobicContact CE1-CB 4.43Å; Y165-L350 HydrophobicContact CE1-CD2 3.97Å; Y165-L350 HydrophobicContact CE1-CG 4.42Å; Y165-L350 WeakPolarHBondContact OH-CD2 3.07Å; Y165-L350 WeakPolarHBondContact OH-CG 3.2Å; Y165-L350 PolarHBondContact OH-O 3.18Å
166C80.9Confident82.9Confident4 Ų446.5 Ų46.53%0.02724%0.237CC..  trans-14783.9174.9-163.60000110.5S164 Y168 P169 L228 W340 C344S164-C166 PolarHBondContact O-N 3.04Å; C166-Y168 VanDerWaalsContact C-N 3.31Å; C166-Y168 PolarHBondContact O-N 3.18Å; C166-P169 WeakPolarHBondContact O-CD 3.45Å; C166-P169 WeakPolarHBondContact SG-CD 3.2Å; C166-L228 HydrophobicContact CB-CD1 4.33Å; C166-W340 HydrophobicContact CB-CZ2 3.85Å; C166-C344 VanDerWaalsContact CA-SG 3.58Å; C166-C344 HydrophobicContact CB-CB 3.89Å; C166-C344 WeakPolarHBondContact CB-SG 3.42Å; C166-C344 VanDerWaalsContact SG-CA 3.55Å; C166-C344 WeakPolarHBondContact SG-CB 3.44Å; C166-C344 CovalentContact SG-SG 2.03Å; C166-C344 PolarHBondContact SG-SG 3.14Å
167P79.4Confident82.8Confident35 Ų3549.4 Ų49.423%0.22725%0.254CS..Hα-helixtrans-69.7-25.1-170.229-38.4000113.8D170 S171 C344 L350P167-D170 PolarHBondContact O-N 2.7Å; P167-S171 WeakPolarHBondContact O-CB 3.44Å; P167-S171 PolarHBondContact O-N 3.38Å; P167-C344 VanDerWaalsContact CD-O 3.3Å; P167-C344 WeakPolarHBondContact CD-O 3.47Å; P167-C344 VanDerWaalsContact CG-O 3.25Å; P167-C344 WeakPolarHBondContact CG-O 3.44Å; P167-L350 HydrophobicContact CB-CD2 4.13Å; P167-L350 HydrophobicContact CG-CD2 3.54Å
168Y81Confident82.6Confident72 Ų7244.7 Ų44.728%0.28223%0.234SC..Hα-helixtrans-64.9-53.7-175.8172.8-115.2000113.4C166 D170 S171 I172 E343 R345C166-Y168 VanDerWaalsContact C-N 3.31Å; C166-Y168 PolarHBondContact O-N 3.18Å; Y168-D170 VanDerWaalsContact C-N 3.33Å; Y168-D170 PolarHBondContact O-N 2.99Å; Y168-S171 WeakPolarHBondContact O-CB 3.32Å; Y168-S171 PolarHBondContact O-N 3.23Å; Y168-S171 VanDerWaalsContact O-N 3.1Å; Y168-S171 PolarHBondContact O-OG 3.46Å; Y168-I172 HydrophobicContact CD1-CD1 4.36Å; Y168-I172 HydrophobicContact CD2-CD1 4.42Å; Y168-I172 HydrophobicContact CE1-CD1 3.77Å; Y168-I172 HydrophobicContact CE2-CD1 3.83Å; Y168-I172 HydrophobicContact CE2-CG1 4.11Å; Y168-I172 PolarHBondContact O-N 2.85Å; Y168-I172 VanDerWaalsContact O-N 3.09Å; Y168-E343 VanDerWaalsContact CD1-O 3.25Å; Y168-E343 WeakPolarHBondContact CD1-O 3.32Å; Y168-R345 HydrophobicContact CD2-CG 4.26Å; Y168-R345 VanDerWaalsContact CD2-NE 3.34Å; Y168-R345 VanDerWaalsContact CE2-NE 3.34Å; Y168-R345 HydrophobicContact CG-CG 4.09Å; Y168-R345 PolarHBondContact OH-NH2 3.49Å
169P77.9Confident82.5Confident33 Ų3347.1 Ų47.121%0.21425%0.25CC..Hα-helixtrans-58.5-40.5173.8-26.234.7000113.8C166 S171 I172 F173 L228C166-P169 WeakPolarHBondContact O-CD 3.45Å; C166-P169 WeakPolarHBondContact SG-CD 3.2Å; P169-S171 VanDerWaalsContact C-N 3.25Å; P169-S171 PolarHBondContact O-N 3.43Å; P169-I172 PolarHBondContact O-N 2.96Å; P169-F173 WeakPolarHBondContact O-CB 3.25Å; P169-F173 PolarHBondContact O-N 2.84Å; P169-L228 HydrophobicContact CB-CD1 3.76Å; P169-L228 HydrophobicContact CB-CD2 3.99Å; P169-L228 HydrophobicContact CB-CG 4.21Å; P169-L228 HydrophobicContact CG-CD1 3.82Å; P169-L228 HydrophobicContact CG-CD2 3.66Å; P169-L228 HydrophobicContact CG-CG 4.27Å
170D77.9Confident82.4Confident74 Ų7448.9 Ų48.940%0.39626%0.262SS..Hα-helixtrans-58.6-42.2175.1-74.9-14.4000110.6P167 Y168 I172 F173 F174P167-D170 PolarHBondContact O-N 2.7Å; Y168-D170 VanDerWaalsContact C-N 3.33Å; Y168-D170 PolarHBondContact O-N 2.99Å; D170-I172 PolarHBondContact O-N 2.82Å; D170-F173 PolarHBondContact O-N 2.98Å; D170-F174 HydrophobicContact CB-CD2 4.37Å; D170-F174 WeakPolarHBondContact O-CD2 3.05Å; D170-F174 PolarHBondContact O-N 3.45Å
171S81.2Confident82.7Confident44 Ų4455 Ų5531%0.30829%0.291SS..Hα-helixtrans-64.2-40.5178.377.90000112.8P167 Y168 P169 N175P167-S171 WeakPolarHBondContact O-CB 3.44Å; P167-S171 PolarHBondContact O-N 3.38Å; Y168-S171 WeakPolarHBondContact O-CB 3.32Å; Y168-S171 PolarHBondContact O-N 3.23Å; Y168-S171 VanDerWaalsContact O-N 3.1Å; Y168-S171 PolarHBondContact O-OG 3.46Å; P169-S171 VanDerWaalsContact C-N 3.25Å; P169-S171 PolarHBondContact O-N 3.43Å; S171-N175 WeakPolarHBondContact O-CB 3.07Å; S171-N175 PolarHBondContact O-N 2.95Å; S171-N175 PolarHBondContact O-ND2 3.03Å; S171-N175 VanDerWaalsContact O-ND2 3.12Å
172I84Confident83.2Confident48 Ų4858.8 Ų58.825%0.24632%0.315CS..Hα-helixtrans-64.3-47.9174.5-65.6172.5000109.4Y168 P169 D170 E176 V177Y168-I172 HydrophobicContact CD1-CD1 4.36Å; Y168-I172 HydrophobicContact CD2-CD1 4.42Å; Y168-I172 HydrophobicContact CE1-CD1 3.77Å; Y168-I172 HydrophobicContact CE2-CD1 3.83Å; Y168-I172 HydrophobicContact CE2-CG1 4.11Å; Y168-I172 PolarHBondContact O-N 2.85Å; Y168-I172 VanDerWaalsContact O-N 3.09Å; P169-I172 PolarHBondContact O-N 2.96Å; D170-I172 PolarHBondContact O-N 2.82Å; I172-E176 HydrophobicContact CG2-CB 4.38Å; I172-E176 WeakPolarHBondContact O-CA 3.01Å; I172-E176 VanDerWaalsContact O-CB 3.24Å; I172-E176 WeakPolarHBondContact O-CB 3.09Å; I172-E176 PolarHBondContact O-N 3.47Å; I172-V177 HydrophobicContact CG2-CG2 4.36Å; I172-V177 PolarHBondContact O-N 2.88Å
173F82.2Confident83.8Confident30 Ų3057.8 Ų57.813%0.13231%0.309CS..Iπ-helixtrans-59.8-54.2-177.2179-105.1000111.5P169 D170 V177 M178 T209 T226P169-F173 WeakPolarHBondContact O-CB 3.25Å; P169-F173 PolarHBondContact O-N 2.84Å; D170-F173 PolarHBondContact O-N 2.98Å; F173-V177 HydrophobicContact CD2-CB 4.23Å; F173-V177 HydrophobicContact CD2-CG1 4.33Å; F173-V177 HydrophobicContact CE2-CG1 4.47Å; F173-V177 WeakPolarHBondContact O-CB 3.38Å; F173-V177 PolarHBondContact O-N 2.95Å; F173-M178 HydrophobicContact CD1-CG 4.24Å; F173-M178 HydrophobicContact CE1-CG 3.89Å; F173-M178 HydrophobicContact CE1-SD 4.16Å; F173-M178 HydrophobicContact CE2-CG 4.33Å; F173-M178 HydrophobicContact CE2-SD 4.03Å; F173-M178 HydrophobicContact CZ-CG 3.94Å; F173-M178 HydrophobicContact CZ-SD 3.64Å; F173-M178 WeakPolarHBondContact O-CG 3.39Å; F173-M178 PolarHBondContact O-N 3.14Å; F173-T209 HydrophobicContact CE1-CG2 3.67Å; F173-T209 HydrophobicContact CZ-CG2 3.62Å; F173-T226 WeakPolarHBondContact CD2-OG1 3.03Å; F173-T226 VanDerWaalsContact CE2-OG1 3.3Å; F173-T226 WeakPolarHBondContact CE2-OG1 3.36Å
174F82.6Confident84.4Confident107 Ų10760 Ų6047%0.46931%0.314SS..Iπ-helixtrans-74.5-36.4-176.1-71.5-66.7000113.6D170D170-F174 HydrophobicContact CB-CD2 4.37Å; D170-F174 WeakPolarHBondContact O-CD2 3.05Å; D170-F174 PolarHBondContact O-N 3.45Å
175N85.5Confident85.1Confident111 Ų11165.3 Ų65.359%0.59434%0.336SS*.Iπ-helixtrans-93.1-27.2-173.9-57.4-40.7000113.7S171 T179S171-N175 WeakPolarHBondContact O-CB 3.07Å; S171-N175 PolarHBondContact O-N 2.95Å; S171-N175 PolarHBondContact O-ND2 3.03Å; S171-N175 VanDerWaalsContact O-ND2 3.12Å; N175-T179 WeakPolarHBondContact O-CG2 3.16Å; N175-T179 PolarHBondContact O-OG1 3.44Å
176E88.3Confident85.7Confident124 Ų12466.5 Ų66.558%0.57935%0.345SS*.Iπ-helixtrans-110.8-52.5-176.5-55.1179.2-14900111.9I172 T179 S180I172-E176 HydrophobicContact CG2-CB 4.38Å; I172-E176 WeakPolarHBondContact O-CA 3.01Å; I172-E176 VanDerWaalsContact O-CB 3.24Å; I172-E176 WeakPolarHBondContact O-CB 3.09Å; I172-E176 PolarHBondContact O-N 3.47Å; E176-T179 PolarHBondContact O-OG1 3.38Å; E176-S180 WeakPolarHBondContact O-CB 3.34Å; E176-S180 PolarHBondContact O-N 3.23Å
177V87.3Confident86.1Confident61 Ų6168.3 Ų68.337%0.3735%0.354SS..Iπ-helixtrans-70.4-52.3-175.7179.40000110.6I172 F173 T179 S180 V183I172-V177 HydrophobicContact CG2-CG2 4.36Å; I172-V177 PolarHBondContact O-N 2.88Å; F173-V177 HydrophobicContact CD2-CB 4.23Å; F173-V177 HydrophobicContact CD2-CG1 4.33Å; F173-V177 HydrophobicContact CE2-CG1 4.47Å; F173-V177 WeakPolarHBondContact O-CB 3.38Å; F173-V177 PolarHBondContact O-N 2.95Å; V177-T179 PolarHBondContact O-N 2.89Å; V177-S180 VanDerWaalsContact O-CB 3.26Å; V177-S180 WeakPolarHBondContact O-CB 3.22Å; V177-S180 PolarHBondContact O-N 3.36Å; V177-S180 VanDerWaalsContact O-N 3.09Å; V177-S180 PolarHBondContact O-OG 3.25Å; V177-V183 HydrophobicContact CG1-CG2 4.44Å; V177-V183 VanDerWaalsContact O-CG2 3.27Å; V177-V183 WeakPolarHBondContact O-CG2 2.96Å
178M84.1Confident86.7Confident20 Ų2073.2 Ų73.210%0.09937%0.374CS..THydrogen-bonded Turntrans-68.3-18.3-176.7-68.6-52.9-63.300113.6F173 V183 T207 F208 T209F173-M178 HydrophobicContact CD1-CG 4.24Å; F173-M178 HydrophobicContact CE1-CG 3.89Å; F173-M178 HydrophobicContact CE1-SD 4.16Å; F173-M178 HydrophobicContact CE2-CG 4.33Å; F173-M178 HydrophobicContact CE2-SD 4.03Å; F173-M178 HydrophobicContact CZ-CG 3.94Å; F173-M178 HydrophobicContact CZ-SD 3.64Å; F173-M178 WeakPolarHBondContact O-CG 3.39Å; F173-M178 PolarHBondContact O-N 3.14Å; M178-V183 HydrophobicContact CE-CG1 4.06Å; M178-V183 HydrophobicContact SD-CG1 4.33Å; M178-T207 HydrophobicContact CE-CG2 4.24Å; M178-F208 HydrophobicContact CE-CB 4.34Å; M178-T209 HydrophobicContact CE-CG2 3.87Å; M178-T209 HydrophobicContact SD-CG2 3.98Å
179T87.8Confident87.5Confident70 Ų7076 Ų7643%0.42939%0.389SS..THydrogen-bonded Turntrans-99-1.3176.568.90000113N175 E176 V177 K184N175-T179 WeakPolarHBondContact O-CG2 3.16Å; N175-T179 PolarHBondContact O-OG1 3.44Å; E176-T179 PolarHBondContact O-OG1 3.38Å; V177-T179 PolarHBondContact O-N 2.89Å; T179-K184 WeakPolarHBondContact O-CE 3.31Å; T179-K184 PolarHBondContact O-NZ 2.92Å
180S90.7Very high88.2Confident37 Ų3777.3 Ų77.326%0.25940%0.395SS..SBendtrans-70152.4-178.671.90000112.7E176 V177 V183 K184E176-S180 WeakPolarHBondContact O-CB 3.34Å; E176-S180 PolarHBondContact O-N 3.23Å; V177-S180 VanDerWaalsContact O-CB 3.26Å; V177-S180 WeakPolarHBondContact O-CB 3.22Å; V177-S180 PolarHBondContact O-N 3.36Å; V177-S180 VanDerWaalsContact O-N 3.09Å; V177-S180 PolarHBondContact O-OG 3.25Å; S180-V183 PolarHBondContact O-N 2.9Å; S180-K184 PolarHBondContact O-N 2.82Å
181E94.6Very high89Confident132 Ų13275.7 Ų75.762%0.61739%0.391SS*.Hα-helixtrans-56.6-42.2178.8-70.6-58.1124.100113.9V183 K184 K185E181-V183 VanDerWaalsContact C-N 3.35Å; E181-V183 PolarHBondContact O-N 2.87Å; E181-K184 PolarHBondContact O-N 3.34Å; E181-K184 IonicContact OE1-NZ 2.87Å; E181-K184 PolarHBondContact OE1-NZ 3.47Å; E181-K185 VanDerWaalsContact O-CB 3.29Å; E181-K185 WeakPolarHBondContact O-CB 3.31Å; E181-K185 PolarHBondContact O-N 2.96Å
182P92.8Very high89.7Confident86 Ų8681.7 Ų81.756%0.55841%0.414SS*.Hα-helixtrans-58.6-43.9175.6-25.735.7000113K185 I186P182-K185 PolarHBondContact O-N 3.12Å; P182-I186 VanDerWaalsContact O-CG1 3.28Å; P182-I186 WeakPolarHBondContact O-CG1 3.5Å; P182-I186 PolarHBondContact O-N 2.03Å; P182-I186 VanDerWaalsContact O-N 3.14Å
183V87.8Confident90.1Very high23 Ų2383.2 Ų83.214%0.13942%0.423CS..Hα-helixtrans-67.4-45.8-179.7175.10000110.8V177 M178 S180 E181 K185 I186 M187 F208V177-V183 HydrophobicContact CG1-CG2 4.44Å; V177-V183 VanDerWaalsContact O-CG2 3.27Å; V177-V183 WeakPolarHBondContact O-CG2 2.96Å; M178-V183 HydrophobicContact CE-CG1 4.06Å; M178-V183 HydrophobicContact SD-CG1 4.33Å; S180-V183 PolarHBondContact O-N 2.9Å; E181-V183 VanDerWaalsContact C-N 3.35Å; E181-V183 PolarHBondContact O-N 2.87Å; V183-K185 VanDerWaalsContact C-N 3.31Å; V183-K185 PolarHBondContact O-N 3.2Å; V183-I186 PolarHBondContact O-N 2.88Å; V183-M187 HydrophobicContact CG1-SD 4.25Å; V183-M187 WeakPolarHBondContact O-CG 3.34Å; V183-M187 PolarHBondContact O-N 2.91Å; V183-F208 HydrophobicContact CG1-CD2 4.24Å
184K90Very high90.6Very high83 Ų8382 Ų8236%0.36142%0.417SS..Hα-helixtrans-57.5-44.3175.6-73.6172.5175.4152.80111.9T179 S180 E181 I186 M187 E188T179-K184 WeakPolarHBondContact O-CE 3.31Å; T179-K184 PolarHBondContact O-NZ 2.92Å; S180-K184 PolarHBondContact O-N 2.82Å; E181-K184 PolarHBondContact O-N 3.34Å; E181-K184 IonicContact OE1-NZ 2.87Å; E181-K184 PolarHBondContact OE1-NZ 3.47Å; K184-I186 PolarHBondContact O-N 3.28Å; K184-M187 WeakPolarHBondContact O-CA 3.4Å; K184-M187 WeakPolarHBondContact O-CB 3.12Å; K184-M187 PolarHBondContact O-N 2.76Å; K184-E188 WeakPolarHBondContact O-CG 3.35Å; K184-E188 PolarHBondContact O-N 3.37Å
185K93.9Very high91.1Very high123 Ų12380.7 Ų80.754%0.53542%0.415SS..Hα-helixtrans-60-44.7178.8-172.1179.5-179.4-165.80112E181 P182 V183 M187 E188 E189E181-K185 VanDerWaalsContact O-CB 3.29Å; E181-K185 WeakPolarHBondContact O-CB 3.31Å; E181-K185 PolarHBondContact O-N 2.96Å; P182-K185 PolarHBondContact O-N 3.12Å; V183-K185 VanDerWaalsContact C-N 3.31Å; V183-K185 PolarHBondContact O-N 3.2Å; K185-M187 VanDerWaalsContact C-N 3.25Å; K185-M187 PolarHBondContact O-N 3.01Å; K185-E188 PolarHBondContact O-N 2.87Å; K185-E189 WeakPolarHBondContact CE-OE1 3.22Å; K185-E189 HydrophobicContact CG-CG 4.44Å; K185-E189 IonicContact NZ-OE1 3.86Å; K185-E189 WeakPolarHBondContact O-CB 3.45Å; K185-E189 VanDerWaalsContact O-CG 3.29Å; K185-E189 WeakPolarHBondContact O-CG 3.41Å; K185-E189 PolarHBondContact O-N 3.43Å
186I90.2Very high91.6Very high79 Ų7980.9 Ų80.941%0.40541%0.411SS..Hα-helixtrans-62.9-36.7176.1-57.9166.1000109.8P182 V183 K184 N190 F208P182-I186 VanDerWaalsContact O-CG1 3.28Å; P182-I186 WeakPolarHBondContact O-CG1 3.5Å; P182-I186 PolarHBondContact O-N 2.03Å; P182-I186 VanDerWaalsContact O-N 3.14Å; V183-I186 PolarHBondContact O-N 2.88Å; K184-I186 PolarHBondContact O-N 3.28Å; I186-N190 WeakPolarHBondContact O-CB 3.21Å; I186-N190 PolarHBondContact O-N 3.14Å; I186-N190 VanDerWaalsContact O-N 3.09Å; I186-N190 PolarHBondContact O-ND2 3.3Å; I186-F208 HydrophobicContact CB-CE2 3.63Å; I186-F208 HydrophobicContact CB-CZ 3.93Å; I186-F208 HydrophobicContact CG2-CE1 4.14Å; I186-F208 HydrophobicContact CG2-CE2 3.45Å; I186-F208 VanDerWaalsContact CG2-CE2 3.45Å; I186-F208 HydrophobicContact CG2-CZ 3.24Å
187M88.9Confident91.8Very high43 Ų4376 Ų7621%0.21239%0.389CS..Hα-helixtrans-67.5-41.5178-67.3174.349.800111.6V183 K184 K185 N190 A191 F194 P206 F208V183-M187 HydrophobicContact CG1-SD 4.25Å; V183-M187 WeakPolarHBondContact O-CG 3.34Å; V183-M187 PolarHBondContact O-N 2.91Å; K184-M187 WeakPolarHBondContact O-CA 3.4Å; K184-M187 WeakPolarHBondContact O-CB 3.12Å; K184-M187 PolarHBondContact O-N 2.76Å; K185-M187 VanDerWaalsContact C-N 3.25Å; K185-M187 PolarHBondContact O-N 3.01Å; M187-N190 CarbonylContact O-C 3.39Å; M187-N190 PolarHBondContact O-N 3.35Å; M187-A191 WeakPolarHBondContact O-CA 3.35Å; M187-A191 PolarHBondContact O-N 2.93Å; M187-F194 HydrophobicContact CB-CE2 4.38Å; M187-F194 HydrophobicContact CB-CZ 4.45Å; M187-F194 HydrophobicContact CG-CE2 4.33Å; M187-F194 HydrophobicContact CG-CZ 3.96Å; M187-P206 WeakPolarHBondContact CE-O 3.35Å; M187-F208 HydrophobicContact CB-CE2 3.96Å; M187-F208 HydrophobicContact CG-CD2 3.33Å; M187-F208 HydrophobicContact CG-CE2 3.14Å; M187-F208 HydrophobicContact CG-CG 4.38Å; M187-F208 HydrophobicContact CG-CZ 4.03Å; M187-F208 VanDerWaalsContact N-CE2 3.33Å; M187-F208 HydrophobicContact SD-CD2 4.22Å
188E92.8Very high92.1Very high138 Ų13876.9 Ų76.965%0.64539%0.385SS*.Hα-helixtrans-64.1-46.5176.4-72.2172.9-177.900111.4K184 K185 N190 A191K184-E188 WeakPolarHBondContact O-CG 3.35Å; K184-E188 PolarHBondContact O-N 3.37Å; K185-E188 PolarHBondContact O-N 2.87Å; E188-N190 PolarHBondContact O-N 3.38Å; E188-A191 VanDerWaalsContact O-CB 3.3Å; E188-A191 WeakPolarHBondContact O-CB 3.46Å; E188-A191 PolarHBondContact O-N 3.34Å; E188-A191 VanDerWaalsContact O-N 3.17Å
189E96Very high92.5Very high129 Ų12981.9 Ų81.960%0.60341%0.412SS*.Hα-helixtrans-61.9-26.4176.8-73.5175.4170.500112.5K185K185-E189 WeakPolarHBondContact CE-OE1 3.22Å; K185-E189 HydrophobicContact CG-CG 4.44Å; K185-E189 IonicContact NZ-OE1 3.86Å; K185-E189 WeakPolarHBondContact O-CB 3.45Å; K185-E189 VanDerWaalsContact O-CG 3.29Å; K185-E189 WeakPolarHBondContact O-CG 3.41Å; K185-E189 PolarHBondContact O-N 3.43Å
190N94.4Very high92.6Very high62 Ų6283.8 Ų83.833%0.33242%0.416SS..THydrogen-bonded Turntrans-107.716.3179.3-68.1-88.3000113.1I186 M187 E188 E192 L193 F194I186-N190 WeakPolarHBondContact O-CB 3.21Å; I186-N190 PolarHBondContact O-N 3.14Å; I186-N190 VanDerWaalsContact O-N 3.09Å; I186-N190 PolarHBondContact O-ND2 3.3Å; M187-N190 CarbonylContact O-C 3.39Å; M187-N190 PolarHBondContact O-N 3.35Å; E188-N190 PolarHBondContact O-N 3.38Å; N190-E192 PolarHBondContact O-N 3.2Å; N190-E192 VanDerWaalsContact O-N 3.07Å; N190-L193 WeakPolarHBondContact O-CB 3.29Å; N190-L193 PolarHBondContact O-N 3.09Å; N190-F194 HydrophobicContact CB-CD2 4.21Å; N190-F194 HydrophobicContact CB-CE2 4.11Å; N190-F194 WeakPolarHBondContact O-CD2 3.34Å; N190-F194 PolarHBondContact O-N 3.24Å
191A93.3Very high92.6Very high39 Ų3982.2 Ų82.232%0.32241%0.405SS..Hα-helixtrans-56.1-33.5-171.400000113.8M187 E188 F194 N195M187-A191 WeakPolarHBondContact O-CA 3.35Å; M187-A191 PolarHBondContact O-N 2.93Å; E188-A191 VanDerWaalsContact O-CB 3.3Å; E188-A191 WeakPolarHBondContact O-CB 3.46Å; E188-A191 PolarHBondContact O-N 3.34Å; E188-A191 VanDerWaalsContact O-N 3.17Å; A191-F194 PolarHBondContact O-N 3.37Å; A191-N195 WeakPolarHBondContact O-CB 3.39Å; A191-N195 VanDerWaalsContact O-CG 3.28Å; A191-N195 PolarHBondContact O-N 3.45Å; A191-N195 PolarHBondContact O-ND2 3.48Å
192E95.6Very high92.4Very high171 Ų17177.9 Ų77.980%0.79940%0.396SS*.Hα-helixtrans-61.2-44.9175.1-171179.3-179.200111.9N190 N195 F196N190-E192 PolarHBondContact O-N 3.2Å; N190-E192 VanDerWaalsContact O-N 3.07Å; E192-N195 PolarHBondContact O-N 3.22Å; E192-F196 WeakPolarHBondContact O-CB 3.21Å; E192-F196 PolarHBondContact O-N 3.4Å
193L93.4Very high92.3Very high80 Ų8075.8 Ų75.842%0.41938%0.38SS..Hα-helixtrans-61.6-47.3176.1175.562.7000110.8N190 N195 F196 L197N190-L193 WeakPolarHBondContact O-CB 3.29Å; N190-L193 PolarHBondContact O-N 3.09Å; L193-N195 VanDerWaalsContact C-N 3.32Å; L193-N195 PolarHBondContact O-N 2.92Å; L193-F196 WeakPolarHBondContact O-CB 3.29Å; L193-F196 PolarHBondContact O-N 3.29Å; L193-L197 HydrophobicContact CD1-CD1 4.11Å; L193-L197 HydrophobicContact CD1-CD2 4.34Å; L193-L197 HydrophobicContact CD1-CG 4Å; L193-L197 HydrophobicContact CG-CD1 4.03Å; L193-L197 HydrophobicContact CG-CG 4.33Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.22Å; L193-L197 PolarHBondContact O-N 3.35Å
194F92.2Very high92.5Very high4 Ų478.3 Ų78.32%0.01840%0.403CS..Hα-helixtrans-59.1-44178-80-96.8000111.8M187 N190 A191 L197 R198 I205 F208 I211M187-F194 HydrophobicContact CB-CE2 4.38Å; M187-F194 HydrophobicContact CB-CZ 4.45Å; M187-F194 HydrophobicContact CG-CE2 4.33Å; M187-F194 HydrophobicContact CG-CZ 3.96Å; N190-F194 HydrophobicContact CB-CD2 4.21Å; N190-F194 HydrophobicContact CB-CE2 4.11Å; N190-F194 WeakPolarHBondContact O-CD2 3.34Å; N190-F194 PolarHBondContact O-N 3.24Å; A191-F194 PolarHBondContact O-N 3.37Å; F194-L197 PolarHBondContact O-N 3.03Å; F194-R198 WeakPolarHBondContact O-CG 3.48Å; F194-R198 PolarHBondContact O-N 2.89Å; F194-I205 HydrophobicContact CD1-CB 4.48Å; F194-I205 HydrophobicContact CD1-CG2 3.65Å; F194-I205 HydrophobicContact CE1-CG2 3.91Å; F194-F208 HydrophobicContact CE2-CD1 4.17Å; F194-F208 AromaticContact CE2-CE1 3.55Å; F194-F208 HydrophobicContact CE2-CE1 3.55Å; F194-F208 HydrophobicContact CE2-CE2 4.19Å; F194-F208 AromaticContact CE2-CZ 3.52Å; F194-F208 HydrophobicContact CE2-CZ 3.52Å; F194-F208 AromaticContact CZ-CD1 3.62Å; F194-F208 HydrophobicContact CZ-CD1 3.62Å; F194-F208 HydrophobicContact CZ-CD2 4.06Å; F194-F208 AromaticContact CZ-CE1 3.49Å; F194-F208 HydrophobicContact CZ-CE1 3.49Å; F194-F208 VanDerWaalsContact CZ-CE1 3.49Å; F194-F208 AromaticContact CZ-CE2 3.99Å; F194-F208 HydrophobicContact CZ-CE2 3.99Å; F194-F208 AromaticContact CZ-CG 3.85Å; F194-F208 HydrophobicContact CZ-CG 3.85Å; F194-F208 AromaticContact CZ-CZ 3.65Å; F194-F208 HydrophobicContact CZ-CZ 3.65Å; F194-I211 HydrophobicContact CE1-CD1 3.85Å; F194-I211 HydrophobicContact CE1-CG1 3.98Å; F194-I211 HydrophobicContact CE2-CD1 4.11Å; F194-I211 HydrophobicContact CZ-CD1 3.63Å; F194-I211 HydrophobicContact CZ-CG1 4.26Å
195N94.3Very high92.3Very high79 Ų7974.4 Ų74.442%0.42239%0.386SS..Hα-helixtrans-65.7-39.9177.6-71.6-22.9000112.3A191 E192 L193 R198 N199A191-N195 WeakPolarHBondContact O-CB 3.39Å; A191-N195 VanDerWaalsContact O-CG 3.28Å; A191-N195 PolarHBondContact O-N 3.45Å; A191-N195 PolarHBondContact O-ND2 3.48Å; E192-N195 PolarHBondContact O-N 3.22Å; L193-N195 VanDerWaalsContact C-N 3.32Å; L193-N195 PolarHBondContact O-N 2.92Å; N195-R198 PolarHBondContact O-N 3.18Å; N195-R198 PolarHBondContact OD1-NE 3.29Å; N195-R198 PolarHBondContact OD1-NH2 2.57Å; N195-N199 WeakPolarHBondContact O-CB 3.19Å; N195-N199 PolarHBondContact O-N 3.48Å
196F94.7Very high91.9Very high116 Ų11672.2 Ų72.251%0.50939%0.385SS..Hα-helixtrans-58.5-51.4172.7173.5-96.1000110.9E192 L193 R198 N199 Q200E192-F196 WeakPolarHBondContact O-CB 3.21Å; E192-F196 PolarHBondContact O-N 3.4Å; L193-F196 WeakPolarHBondContact O-CB 3.29Å; L193-F196 PolarHBondContact O-N 3.29Å; F196-R198 PolarHBondContact O-N 2.97Å; F196-N199 PolarHBondContact O-N 2.79Å; F196-Q200 HydrophobicContact CD1-CG 4.26Å; F196-Q200 HydrophobicContact CD2-CG 4.03Å; F196-Q200 HydrophobicContact CE1-CG 3.88Å; F196-Q200 HydrophobicContact CE2-CG 3.63Å; F196-Q200 HydrophobicContact CG-CG 4.33Å; F196-Q200 HydrophobicContact CZ-CG 3.55Å; F196-Q200 WeakPolarHBondContact O-CG 3.4Å; F196-Q200 PolarHBondContact O-N 3.15Å
197L92Very high91.5Very high21 Ų2170 Ų7011%0.1138%0.375CS..Hα-helixtrans-61.2-43.8-179.5-64.8174.6000111.4L193 F194 N199 Q200 T201 I205 I211 V214L193-L197 HydrophobicContact CD1-CD1 4.11Å; L193-L197 HydrophobicContact CD1-CD2 4.34Å; L193-L197 HydrophobicContact CD1-CG 4Å; L193-L197 HydrophobicContact CG-CD1 4.03Å; L193-L197 HydrophobicContact CG-CG 4.33Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.22Å; L193-L197 PolarHBondContact O-N 3.35Å; F194-L197 PolarHBondContact O-N 3.03Å; L197-N199 PolarHBondContact O-N 3.44Å; L197-Q200 PolarHBondContact O-N 3.23Å; L197-T201 VanDerWaalsContact O-CB 3.3Å; L197-T201 WeakPolarHBondContact O-CB 3.43Å; L197-T201 VanDerWaalsContact O-CG2 3.29Å; L197-T201 WeakPolarHBondContact O-CG2 3.34Å; L197-T201 PolarHBondContact O-N 3.49Å; L197-T201 PolarHBondContact O-OG1 3.28Å; L197-I205 HydrophobicContact CB-CD1 3.35Å; L197-I205 HydrophobicContact CD1-CD1 4.44Å; L197-I211 HydrophobicContact CD1-CD1 4.38Å; L197-I211 HydrophobicContact CD1-CG1 4.22Å; L197-I211 HydrophobicContact CD1-CG2 4.23Å; L197-V214 HydrophobicContact CD2-CG1 4.02Å
198R93.7Very high91.1Very high80 Ų8071 Ų7130%0.30238%0.378SS..Hα-helixtrans-55.2-50.1174.3-75.3-172-100.6-90.41.4111.7F194 N195 F196 Q200 T201 G202 L203 A204 I205F194-R198 WeakPolarHBondContact O-CG 3.48Å; F194-R198 PolarHBondContact O-N 2.89Å; N195-R198 PolarHBondContact O-N 3.18Å; N195-R198 PolarHBondContact OD1-NE 3.29Å; N195-R198 PolarHBondContact OD1-NH2 2.57Å; F196-R198 PolarHBondContact O-N 2.97Å; R198-Q200 PolarHBondContact O-N 2.87Å; R198-T201 PolarHBondContact O-N 3.17Å; R198-G202 WeakPolarHBondContact O-CA 3.46Å; R198-G202 PolarHBondContact O-N 3.37Å; R198-L203 WeakPolarHBondContact CA-O 3.41Å; R198-L203 WeakPolarHBondContact CG-O 3.41Å; R198-A204 WeakPolarHBondContact CD-O 3.43Å; R198-A204 WeakPolarHBondContact CG-O 3.5Å; R198-A204 PolarHBondContact NH1-O 3.41Å; R198-I205 HydrophobicContact CG-CB 4.2Å; R198-I205 HydrophobicContact CG-CD1 4.41Å; R198-I205 HydrophobicContact CG-CG1 4.3Å; R198-I205 PolarHBondContact NH1-O 3.42Å
199N93.7Very high90.4Very high124 Ų12466.6 Ų66.666%0.66336%0.361SS*.Hα-helixtrans-65.8-37.2-178.2-78.5-10000112.9L42 N195 F196 L197L42-N199 WeakPolarHBondContact CD1-O 3.5Å; N195-N199 WeakPolarHBondContact O-CB 3.19Å; N195-N199 PolarHBondContact O-N 3.48Å; F196-N199 PolarHBondContact O-N 2.79Å; L197-N199 PolarHBondContact O-N 3.44Å
200Q89.9Confident89.9Confident110 Ų11062.3 Ų62.351%0.51434%0.342SS..Hα-helixtrans-80.8-27.2-178.4-65.6-52.6-59.600113.4L42 F196 L197 R198L42-Q200 WeakPolarHBondContact CB-O 3.33Å; F196-Q200 HydrophobicContact CD1-CG 4.26Å; F196-Q200 HydrophobicContact CD2-CG 4.03Å; F196-Q200 HydrophobicContact CE1-CG 3.88Å; F196-Q200 HydrophobicContact CE2-CG 3.63Å; F196-Q200 HydrophobicContact CG-CG 4.33Å; F196-Q200 HydrophobicContact CZ-CG 3.55Å; F196-Q200 WeakPolarHBondContact O-CG 3.4Å; F196-Q200 PolarHBondContact O-N 3.15Å; L197-Q200 PolarHBondContact O-N 3.23Å; R198-Q200 PolarHBondContact O-N 2.87Å
201T89.6Confident89.4Confident4 Ų461.1 Ų61.13%0.02534%0.335CS..Hα-helixtrans-107.8-25.2-17266.10000113.8F40 P41 L42 L197 R198 L203 V214F40-T201 HydrophobicContact CD1-CG2 4.24Å; F40-T201 HydrophobicContact CD2-CG2 3.91Å; F40-T201 HydrophobicContact CE1-CG2 4.47Å; F40-T201 HydrophobicContact CE2-CG2 4.14Å; F40-T201 HydrophobicContact CG-CG2 3.98Å; F40-T201 HydrophobicContact CZ-CG2 4.43Å; P41-T201 VanDerWaalsContact CD-O 3.29Å; P41-T201 WeakPolarHBondContact CD-O 3.3Å; L42-T201 WeakPolarHBondContact CB-O 3.38Å; L42-T201 PolarHBondContact N-O 2.99Å; L197-T201 VanDerWaalsContact O-CB 3.3Å; L197-T201 WeakPolarHBondContact O-CB 3.43Å; L197-T201 VanDerWaalsContact O-CG2 3.29Å; L197-T201 WeakPolarHBondContact O-CG2 3.34Å; L197-T201 PolarHBondContact O-N 3.49Å; L197-T201 PolarHBondContact O-OG1 3.28Å; R198-T201 PolarHBondContact O-N 3.17Å; T201-L203 VanDerWaalsContact C-N 3.26Å; T201-L203 PolarHBondContact OG1-N 3.02Å; T201-V214 HydrophobicContact CG2-CB 4.32Å; T201-V214 HydrophobicContact CG2-CG1 3.65Å; T201-V214 HydrophobicContact CG2-CG2 3.76Å
202G91.3Very high88.7Confident42 Ų4260.3 Ų60.343%0.43332%0.324SS..  trans78.28.8-173.100000113.7R198R198-G202 WeakPolarHBondContact O-CA 3.46Å; R198-G202 PolarHBondContact O-N 3.37Å
203L90.4Very high88Confident42 Ų4254.1 Ų54.122%0.2230%0.297CS..  trans-84.9155.6174.8-64.4175.6000111.2F40 P41 R198 T201 I205 D213 V214F40-L203 HydrophobicContact CB-CD1 3.92Å; F40-L203 HydrophobicContact CB-CD2 4.5Å; F40-L203 HydrophobicContact CB-CG 4.05Å; P41-L203 HydrophobicContact CG-CD2 4.31Å; R198-L203 WeakPolarHBondContact CA-O 3.41Å; R198-L203 WeakPolarHBondContact CG-O 3.41Å; T201-L203 VanDerWaalsContact C-N 3.26Å; T201-L203 PolarHBondContact OG1-N 3.02Å; L203-I205 HydrophobicContact CB-CD1 4.21Å; L203-I205 HydrophobicContact CB-CG1 3.62Å; L203-D213 HydrophobicContact CD1-CB 3.75Å; L203-V214 HydrophobicContact CD1-CG2 3.85Å
204A91.5Very high87.5Confident75 Ų7550.5 Ų50.562%0.6228%0.278SS*.  trans-74.2-33.517600000112.9R198R198-A204 WeakPolarHBondContact CD-O 3.43Å; R198-A204 WeakPolarHBondContact CG-O 3.5Å; R198-A204 PolarHBondContact NH1-O 3.41Å
205I87.5Confident86.9Confident2 Ų254.3 Ų54.31%0.0129%0.293CS..  trans41.759.1-179.6-43.4179.1000112.2F194 L197 R198 L203 T207 D210 I211 V214F194-I205 HydrophobicContact CD1-CB 4.48Å; F194-I205 HydrophobicContact CD1-CG2 3.65Å; F194-I205 HydrophobicContact CE1-CG2 3.91Å; L197-I205 HydrophobicContact CB-CD1 3.35Å; L197-I205 HydrophobicContact CD1-CD1 4.44Å; R198-I205 HydrophobicContact CG-CB 4.2Å; R198-I205 HydrophobicContact CG-CD1 4.41Å; R198-I205 HydrophobicContact CG-CG1 4.3Å; R198-I205 PolarHBondContact NH1-O 3.42Å; L203-I205 HydrophobicContact CB-CD1 4.21Å; L203-I205 HydrophobicContact CB-CG1 3.62Å; I205-T207 VanDerWaalsContact C-N 3.26Å; I205-T207 PolarHBondContact O-N 3.35Å; I205-D210 HydrophobicContact CB-CB 4.34Å; I205-D210 HydrophobicContact CG2-CB 3.96Å; I205-I211 HydrophobicContact CG2-CG1 3.9Å; I205-V214 HydrophobicContact CD1-CG2 3.74Å
206P83.9Confident86Confident76 Ų7650.6 Ų50.649%0.49427%0.273SS..  trans-66.4-28.1-176.226-34000112.6M187 D210M187-P206 WeakPolarHBondContact CE-O 3.35Å; P206-D210 VanDerWaalsContact CD-CG 3.44Å; P206-D210 VanDerWaalsContact CD-OD2 3.28Å; P206-D210 WeakPolarHBondContact CD-OD2 3.09Å; P206-D210 VanDerWaalsContact CG-OD2 3.29Å; P206-D210 WeakPolarHBondContact CG-OD2 3.36Å
207T82.6Confident84.9Confident34 Ų3445.4 Ų45.421%0.20925%0.251CS..SBendtrans-141.1172.2-175.575.20000112.5M178 I205 T209 D210M178-T207 HydrophobicContact CE-CG2 4.24Å; I205-T207 VanDerWaalsContact C-N 3.26Å; I205-T207 PolarHBondContact O-N 3.35Å; T207-T209 PolarHBondContact O-N 3.44Å; T207-T209 PolarHBondContact OG1-N 2.89Å; T207-T209 PolarHBondContact OG1-OG1 3.37Å; T207-D210 WeakPolarHBondContact CA-OD2 3.45Å; T207-D210 WeakPolarHBondContact CB-OD2 3.29Å; T207-D210 PolarHBondContact N-OD2 3.39Å; T207-D210 WeakPolarHBondContact O-CB 3.32Å; T207-D210 PolarHBondContact O-N 2.87Å; T207-D210 VanDerWaalsContact O-N 3.16Å; T207-D210 PolarHBondContact OG1-OD2 3.15Å
208F80.1Confident84.1Confident64 Ų6447.5 Ų47.528%0.28126%0.262SS..G310 helixtrans-57.5-29.7176.1-86.2-71.7000114M178 V183 I186 M187 F194 D210 I211M178-F208 HydrophobicContact CE-CB 4.34Å; V183-F208 HydrophobicContact CG1-CD2 4.24Å; I186-F208 HydrophobicContact CB-CE2 3.63Å; I186-F208 HydrophobicContact CB-CZ 3.93Å; I186-F208 HydrophobicContact CG2-CE1 4.14Å; I186-F208 HydrophobicContact CG2-CE2 3.45Å; I186-F208 VanDerWaalsContact CG2-CE2 3.45Å; I186-F208 HydrophobicContact CG2-CZ 3.24Å; M187-F208 HydrophobicContact CB-CE2 3.96Å; M187-F208 HydrophobicContact CG-CD2 3.33Å; M187-F208 HydrophobicContact CG-CE2 3.14Å; M187-F208 HydrophobicContact CG-CG 4.38Å; M187-F208 HydrophobicContact CG-CZ 4.03Å; M187-F208 VanDerWaalsContact N-CE2 3.33Å; M187-F208 HydrophobicContact SD-CD2 4.22Å; F194-F208 HydrophobicContact CE2-CD1 4.17Å; F194-F208 AromaticContact CE2-CE1 3.55Å; F194-F208 HydrophobicContact CE2-CE1 3.55Å; F194-F208 HydrophobicContact CE2-CE2 4.19Å; F194-F208 AromaticContact CE2-CZ 3.52Å; F194-F208 HydrophobicContact CE2-CZ 3.52Å; F194-F208 AromaticContact CZ-CD1 3.62Å; F194-F208 HydrophobicContact CZ-CD1 3.62Å; F194-F208 HydrophobicContact CZ-CD2 4.06Å; F194-F208 AromaticContact CZ-CE1 3.49Å; F194-F208 HydrophobicContact CZ-CE1 3.49Å; F194-F208 VanDerWaalsContact CZ-CE1 3.49Å; F194-F208 AromaticContact CZ-CE2 3.99Å; F194-F208 HydrophobicContact CZ-CE2 3.99Å; F194-F208 AromaticContact CZ-CG 3.85Å; F194-F208 HydrophobicContact CZ-CG 3.85Å; F194-F208 AromaticContact CZ-CZ 3.65Å; F194-F208 HydrophobicContact CZ-CZ 3.65Å; F208-D210 PolarHBondContact O-N 3.25Å; F208-I211 HydrophobicContact CD1-CD1 3.68Å; F208-I211 HydrophobicContact CE1-CD1 4Å; F208-I211 WeakPolarHBondContact O-CB 3.25Å; F208-I211 PolarHBondContact O-N 3.01Å
209T79.3Confident82.7Confident45 Ų4547 Ų4728%0.27627%0.265SS..G310 helixtrans-67.6-28.3-179.155.40000111.9F173 M178 T207 I211 Y212F173-T209 HydrophobicContact CE1-CG2 3.67Å; F173-T209 HydrophobicContact CZ-CG2 3.62Å; M178-T209 HydrophobicContact CE-CG2 3.87Å; M178-T209 HydrophobicContact SD-CG2 3.98Å; T207-T209 PolarHBondContact O-N 3.44Å; T207-T209 PolarHBondContact OG1-N 2.89Å; T207-T209 PolarHBondContact OG1-OG1 3.37Å; T209-I211 VanDerWaalsContact C-N 3.3Å; T209-I211 PolarHBondContact O-N 2.86Å; T209-Y212 VanDerWaalsContact O-CB 3.26Å; T209-Y212 WeakPolarHBondContact O-CB 2.93Å; T209-Y212 PolarHBondContact O-N 2.93Å
210D84.5Confident81.1Confident38 Ų3841.3 Ų41.320%0.20324%0.235CC..G310 helixtrans-78-15.3-179.1-51.6-80.9000112.6I205 P206 T207 F208 Y212 D213I205-D210 HydrophobicContact CB-CB 4.34Å; I205-D210 HydrophobicContact CG2-CB 3.96Å; P206-D210 VanDerWaalsContact CD-CG 3.44Å; P206-D210 VanDerWaalsContact CD-OD2 3.28Å; P206-D210 WeakPolarHBondContact CD-OD2 3.09Å; P206-D210 VanDerWaalsContact CG-OD2 3.29Å; P206-D210 WeakPolarHBondContact CG-OD2 3.36Å; T207-D210 WeakPolarHBondContact CA-OD2 3.45Å; T207-D210 WeakPolarHBondContact CB-OD2 3.29Å; T207-D210 PolarHBondContact N-OD2 3.39Å; T207-D210 WeakPolarHBondContact O-CB 3.32Å; T207-D210 PolarHBondContact O-N 2.87Å; T207-D210 VanDerWaalsContact O-N 3.16Å; T207-D210 PolarHBondContact OG1-OD2 3.15Å; F208-D210 PolarHBondContact O-N 3.25Å; D210-Y212 PolarHBondContact O-N 3.03Å; D210-D213 WeakPolarHBondContact O-CB 2.92Å; D210-D213 PolarHBondContact O-N 3.06Å
211I84.3Confident79.3Confident37 Ų3738.3 Ų38.319%0.1922%0.221CC..G310 helixtrans-60.8-28171.4-62.9-175.5000110.3F194 L197 I205 F208 T209 D213 V214 Y215F194-I211 HydrophobicContact CE1-CD1 3.85Å; F194-I211 HydrophobicContact CE1-CG1 3.98Å; F194-I211 HydrophobicContact CE2-CD1 4.11Å; F194-I211 HydrophobicContact CZ-CD1 3.63Å; F194-I211 HydrophobicContact CZ-CG1 4.26Å; L197-I211 HydrophobicContact CD1-CD1 4.38Å; L197-I211 HydrophobicContact CD1-CG1 4.22Å; L197-I211 HydrophobicContact CD1-CG2 4.23Å; I205-I211 HydrophobicContact CG2-CG1 3.9Å; F208-I211 HydrophobicContact CD1-CD1 3.68Å; F208-I211 HydrophobicContact CE1-CD1 4Å; F208-I211 WeakPolarHBondContact O-CB 3.25Å; F208-I211 PolarHBondContact O-N 3.01Å; T209-I211 VanDerWaalsContact C-N 3.3Å; T209-I211 PolarHBondContact O-N 2.86Å; I211-D213 PolarHBondContact O-N 3.35Å; I211-V214 WeakPolarHBondContact O-CA 3.46Å; I211-V214 WeakPolarHBondContact O-CB 3.45Å; I211-V214 PolarHBondContact O-N 2.88Å; I211-Y215 PolarHBondContact O-N 3Å
212Y78.9Confident77.3Confident22 Ų2238.3 Ų38.39%0.08622%0.221CC..Hα-helixtrans-56.7-33.7175-179.2-108000112.6R34 L37 T209 D210 V214 Y215 D216 E221 T222 K223R34-Y212 PolarHBondContact NH2-OH 3.23Å; L37-Y212 HydrophobicContact CD1-CE1 4.16Å; T209-Y212 VanDerWaalsContact O-CB 3.26Å; T209-Y212 WeakPolarHBondContact O-CB 2.93Å; T209-Y212 PolarHBondContact O-N 2.93Å; D210-Y212 PolarHBondContact O-N 3.03Å; Y212-V214 PolarHBondContact O-N 3.43Å; Y212-Y215 PolarHBondContact O-N 2.83Å; Y212-D216 HydrophobicContact CD2-CB 4.34Å; Y212-D216 HydrophobicContact CE1-CB 4.05Å; Y212-D216 HydrophobicContact CE2-CB 3.79Å; Y212-D216 WeakPolarHBondContact O-CB 3.33Å; Y212-D216 PolarHBondContact O-N 2.81Å; Y212-D216 PolarHBondContact OH-OD1 2.91Å; Y212-D216 VanDerWaalsContact OH-OD1 3.12Å; Y212-E221 WeakPolarHBondContact CE2-O 3.48Å; Y212-T222 VanDerWaalsContact CD2-O 3.28Å; Y212-T222 WeakPolarHBondContact CD2-O 3.05Å; Y212-T222 WeakPolarHBondContact CE2-O 3.02Å; Y212-K223 HydrophobicContact CD1-CD 4.2Å; Y212-K223 HydrophobicContact CD1-CG 3.98Å; Y212-K223 HydrophobicContact CD2-CB 4.03Å; Y212-K223 HydrophobicContact CD2-CG 4.12Å; Y212-K223 HydrophobicContact CE1-CB 4.08Å; Y212-K223 HydrophobicContact CE1-CD 3.92Å; Y212-K223 HydrophobicContact CE1-CG 3.91Å; Y212-K223 VanDerWaalsContact CE2-CA 3.4Å; Y212-K223 HydrophobicContact CE2-CB 3.61Å; Y212-K223 HydrophobicContact CE2-CG 4.1Å; Y212-K223 VanDerWaalsContact CE2-N 3.29Å; Y212-K223 HydrophobicContact CG-CB 4.46Å; Y212-K223 HydrophobicContact CG-CG 4.06Å
213D81Confident75Confident42 Ų4240 Ų4023%0.22522%0.216CC..Hα-helixtrans-70.8-12.6179.6-62.5-16.9000112.8Q38 L203 D210 I211 P217Q38-D213 PolarHBondContact NE2-OD1 3.45Å; Q38-D213 PolarHBondContact NE2-OD2 3.28Å; L203-D213 HydrophobicContact CD1-CB 3.75Å; D210-D213 WeakPolarHBondContact O-CB 2.92Å; D210-D213 PolarHBondContact O-N 3.06Å; I211-D213 PolarHBondContact O-N 3.35Å; D213-P217 VanDerWaalsContact O-CD 3.22Å; D213-P217 WeakPolarHBondContact O-CD 3.25Å; D213-P217 VanDerWaalsContact O-CG 3.24Å; D213-P217 WeakPolarHBondContact O-CG 3.5Å
214V82Confident72.8Confident4 Ų444.2 Ų44.22%0.02423%0.229CC..Hα-helixtrans-98.1-41.6168.9-172.60000111.3L197 T201 L203 I205 I211 Y212 P217 L218L197-V214 HydrophobicContact CD2-CG1 4.02Å; T201-V214 HydrophobicContact CG2-CB 4.32Å; T201-V214 HydrophobicContact CG2-CG1 3.65Å; T201-V214 HydrophobicContact CG2-CG2 3.76Å; L203-V214 HydrophobicContact CD1-CG2 3.85Å; I205-V214 HydrophobicContact CD1-CG2 3.74Å; I211-V214 WeakPolarHBondContact O-CA 3.46Å; I211-V214 WeakPolarHBondContact O-CB 3.45Å; I211-V214 PolarHBondContact O-N 2.88Å; Y212-V214 PolarHBondContact O-N 3.43Å; V214-P217 WeakPolarHBondContact O-CD 3.3Å; V214-L218 HydrophobicContact CG1-CD1 3.77Å; V214-L218 VanDerWaalsContact O-CG 3.24Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 2.95Å
215Y79.1Confident70.6Confident84 Ų8443 Ų4333%0.32921%0.212SC..Hα-helixtrans-68.5-42.6-176.8-178.1-99.6000112.7I211 Y212 L218 N219 E221I211-Y215 PolarHBondContact O-N 3Å; Y212-Y215 PolarHBondContact O-N 2.83Å; Y215-L218 PolarHBondContact O-N 3.27Å; Y215-N219 HydrophobicContact CD2-CB 4.45Å; Y215-N219 VanDerWaalsContact CD2-ND2 3.32Å; Y215-N219 WeakPolarHBondContact CD2-ND2 3.22Å; Y215-N219 HydrophobicContact CE1-CB 4.31Å; Y215-N219 HydrophobicContact CE2-CB 4.07Å; Y215-N219 WeakPolarHBondContact CE2-ND2 3.37Å; Y215-N219 PolarHBondContact O-N 2.93Å; Y215-E221 WeakPolarHBondContact CD1-O 3.25Å; Y215-E221 HydrophobicContact CE1-CB 3.93Å; Y215-E221 WeakPolarHBondContact CE1-O 2.92Å
216D76.4Confident68.3Low1 Ų146.9 Ų46.91%0.00524%0.236CC..Hα-helixtrans-63.7-43179.6-176.980.5000112.3R34 P36 L37 Y212 L218 C220R34-D216 IonicContact CZ-OD1 3.69Å; R34-D216 VanDerWaalsContact CZ-OD1 3.23Å; R34-D216 IonicContact NH1-OD1 3.19Å; R34-D216 PolarHBondContact NH1-OD1 3.47Å; R34-D216 IonicContact NH1-OD2 2.68Å; R34-D216 PolarHBondContact NH1-OD2 2.85Å; R34-D216 IonicContact NH2-OD1 3.71Å; R34-D216 PolarHBondContact NH2-OD1 3.25Å; P36-D216 WeakPolarHBondContact CA-OD2 3.44Å; L37-D216 PolarHBondContact N-OD2 2.97Å; Y212-D216 HydrophobicContact CD2-CB 4.34Å; Y212-D216 HydrophobicContact CE1-CB 4.05Å; Y212-D216 HydrophobicContact CE2-CB 3.79Å; Y212-D216 WeakPolarHBondContact O-CB 3.33Å; Y212-D216 PolarHBondContact O-N 2.81Å; Y212-D216 PolarHBondContact OH-OD1 2.91Å; Y212-D216 VanDerWaalsContact OH-OD1 3.12Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 3.38Å; D216-C220 WeakPolarHBondContact O-CA 3.12Å; D216-C220 PolarHBondContact O-N 2.87Å
217P72.4Confident66.5Low7 Ų745.6 Ų45.65%0.04523%0.226CC..Hα-helixtrans-63.8-36.1173.4-25.335.3000114.2P36 Q38 F40 D213 V214P36-P217 HydrophobicContact CB-CB 4.43Å; Q38-P217 WeakPolarHBondContact O-CG 3.3Å; F40-P217 HydrophobicContact CD1-CB 3.9Å; F40-P217 HydrophobicContact CD1-CG 3.97Å; F40-P217 HydrophobicContact CE1-CB 3.88Å; F40-P217 HydrophobicContact CE1-CG 4.43Å; D213-P217 VanDerWaalsContact O-CD 3.22Å; D213-P217 WeakPolarHBondContact O-CD 3.25Å; D213-P217 VanDerWaalsContact O-CG 3.24Å; D213-P217 WeakPolarHBondContact O-CG 3.5Å; V214-P217 WeakPolarHBondContact O-CD 3.3Å
218L73.5Confident65.1Low65 Ų6546 Ų4634%0.3423%0.227SC..Hα-helixtrans-77.5-41-176.9-67.1176.6000112.9F40 V214 Y215 D216F40-L218 HydrophobicContact CE1-CD2 4.2Å; F40-L218 HydrophobicContact CE1-CG 4.29Å; F40-L218 HydrophobicContact CZ-CD2 4.29Å; V214-L218 HydrophobicContact CG1-CD1 3.77Å; V214-L218 VanDerWaalsContact O-CG 3.24Å; V214-L218 WeakPolarHBondContact O-CG 3.42Å; V214-L218 PolarHBondContact O-N 2.95Å; Y215-L218 PolarHBondContact O-N 3.27Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 3.38Å
219N65.3Low64.2Low69 Ų6943 Ų4337%0.36921%0.214SC..Hα-helixtrans-114.5-3.9-174.2-68.8-40.6000113.8Y215 E221Y215-N219 HydrophobicContact CD2-CB 4.45Å; Y215-N219 VanDerWaalsContact CD2-ND2 3.32Å; Y215-N219 WeakPolarHBondContact CD2-ND2 3.22Å; Y215-N219 HydrophobicContact CE1-CB 4.31Å; Y215-N219 HydrophobicContact CE2-CB 4.07Å; Y215-N219 WeakPolarHBondContact CE2-ND2 3.37Å; Y215-N219 PolarHBondContact O-N 2.93Å; N219-E221 HydrophobicContact CB-CB 4.24Å; N219-E221 WeakPolarHBondContact O-CB 3.38Å; N219-E221 VanDerWaalsContact O-CG 3.27Å; N219-E221 WeakPolarHBondContact O-CG 3.18Å; N219-E221 PolarHBondContact O-N 3.36Å; N219-E221 VanDerWaalsContact O-N 3.13Å
220C60Low63.8Low4 Ų441.2 Ų41.23%0.02720%0.204CC..SBendtrans54.819.8-171.5-630000113.1C65 D216 F282C65-C220 PolarHBondContact SG-SG 3.37Å; D216-C220 WeakPolarHBondContact O-CA 3.12Å; D216-C220 PolarHBondContact O-N 2.87Å; C220-F282 HydrophobicContact CB-CE2 4.16Å; C220-F282 HydrophobicContact CB-CZ 3.94Å; C220-F282 WeakPolarHBondContact O-CZ 3.47Å
221E52.5Low63.8Low48 Ų4840.1 Ų40.122%0.22420%0.199CC..  trans-128.1154.5-162-82179.1-176.700115.1Y212 Y215 N219 F282Y212-E221 WeakPolarHBondContact CE2-O 3.48Å; Y215-E221 WeakPolarHBondContact CD1-O 3.25Å; Y215-E221 HydrophobicContact CE1-CB 3.93Å; Y215-E221 WeakPolarHBondContact CE1-O 2.92Å; N219-E221 HydrophobicContact CB-CB 4.24Å; N219-E221 WeakPolarHBondContact O-CB 3.38Å; N219-E221 VanDerWaalsContact O-CG 3.27Å; N219-E221 WeakPolarHBondContact O-CG 3.18Å; N219-E221 PolarHBondContact O-N 3.36Å; N219-E221 VanDerWaalsContact O-N 3.13Å; E221-F282 HydrophobicContact CG-CD2 4.11Å; E221-F282 HydrophobicContact CG-CE2 3.64Å; E221-F282 HydrophobicContact CG-CZ 4.05Å; E221-F282 WeakPolarHBondContact OE1-CD2 3.36Å
222T46.8Very low64.2Low4 Ų438.4 Ų38.43%0.02519%0.19CC..  trans36.7108.2160.5-350000121.4Y212 E261 I265Y212-T222 VanDerWaalsContact CD2-O 3.28Å; Y212-T222 WeakPolarHBondContact CD2-O 3.05Å; Y212-T222 WeakPolarHBondContact CE2-O 3.02Å; T222-E261 HydrophobicContact CG2-CB 4.25Å; T222-E261 HydrophobicContact CG2-CG 4.13Å; T222-I265 HydrophobicContact CG2-CD1 3.92Å
223K43.9Very low64.9Low77 Ų7737.4 Ų37.434%0.33519%0.186SC..  trans-88.7132.7167.3-160174.2-174.3-171.80111.1Y212 I225 T262Y212-K223 HydrophobicContact CD1-CD 4.2Å; Y212-K223 HydrophobicContact CD1-CG 3.98Å; Y212-K223 HydrophobicContact CD2-CB 4.03Å; Y212-K223 HydrophobicContact CD2-CG 4.12Å; Y212-K223 HydrophobicContact CE1-CB 4.08Å; Y212-K223 HydrophobicContact CE1-CD 3.92Å; Y212-K223 HydrophobicContact CE1-CG 3.91Å; Y212-K223 VanDerWaalsContact CE2-CA 3.4Å; Y212-K223 HydrophobicContact CE2-CB 3.61Å; Y212-K223 HydrophobicContact CE2-CG 4.1Å; Y212-K223 VanDerWaalsContact CE2-N 3.29Å; Y212-K223 HydrophobicContact CG-CB 4.46Å; Y212-K223 HydrophobicContact CG-CG 4.06Å; K223-I225 HydrophobicContact CD-CD1 3.71Å; K223-I225 HydrophobicContact CD-CG1 4.37Å; K223-I225 VanDerWaalsContact CE-CD1 3.5Å; K223-I225 HydrophobicContact CG-CD1 4.13Å; K223-I225 HydrophobicContact CG-CG1 4.26Å; K223-T262 HydrophobicContact CB-CG2 4.27Å; K223-T262 WeakPolarHBondContact O-CG2 3.26Å
224W42.7Very low65.4Low131 Ų13138.1 Ų38.150%0.49619%0.188SC..  trans-95.9113175.6-59.186.9000109.2Y274 V276 A279W224-Y274 WeakPolarHBondContact CH2-OH 3.24Å; W224-Y274 HydrophobicContact CZ3-CE1 4.15Å; W224-Y274 AromaticContact CZ3-CZ 3.99Å; W224-Y274 WeakPolarHBondContact CZ3-OH 3.3Å; W224-V276 HydrophobicContact CH2-CB 4.13Å; W224-V276 HydrophobicContact CH2-CG1 4.08Å; W224-V276 HydrophobicContact CZ3-CG1 4.12Å; W224-A279 HydrophobicContact CH2-CB 4.49Å
225I45.9Very low66Low50 Ų5040.6 Ų40.626%0.25620%0.201SC..  trans-137.4142.3176.4-76.3176.6000110T162 K223T162-I225 HydrophobicContact CG2-CB 4.36Å; T162-I225 HydrophobicContact CG2-CD1 3.46Å; T162-I225 VanDerWaalsContact CG2-CD1 3.46Å; T162-I225 HydrophobicContact CG2-CG1 4.41Å; T162-I225 HydrophobicContact CG2-CG2 4.47Å; K223-I225 HydrophobicContact CD-CD1 3.71Å; K223-I225 HydrophobicContact CD-CG1 4.37Å; K223-I225 VanDerWaalsContact CE-CD1 3.5Å; K223-I225 HydrophobicContact CG-CD1 4.13Å; K223-I225 HydrophobicContact CG-CG1 4.26Å
226T39.7Very low66.8Low83 Ų8336.6 Ų36.651%0.50919%0.186SC..  trans-60.4139.6176.2-51.70000112F173 L228F173-T226 WeakPolarHBondContact CD2-OG1 3.03Å; F173-T226 VanDerWaalsContact CE2-OG1 3.3Å; F173-T226 WeakPolarHBondContact CE2-OG1 3.36Å; T226-L228 PolarHBondContact O-N 3.15Å
227V44.8Very low67.8Low48 Ų4836.7 Ų36.729%0.29119%0.187SC..  trans-71.9118.3-156.7174.40000112.9A266 T269 N270V227-A266 HydrophobicContact CG1-CB 4.19Å; V227-T269 HydrophobicContact CG2-CG2 3.67Å; V227-N270 WeakPolarHBondContact CG1-ND2 3.46Å
228L54Low68.9Low44 Ų4439.5 Ų39.523%0.2320%0.204CC..  trans-129.449.2168.6-71.8176.5000112.5V161 C166 P169 T226V161-L228 HydrophobicContact CG1-CB 4.24Å; C166-L228 HydrophobicContact CB-CD1 4.33Å; P169-L228 HydrophobicContact CB-CD1 3.76Å; P169-L228 HydrophobicContact CB-CD2 3.99Å; P169-L228 HydrophobicContact CB-CG 4.21Å; P169-L228 HydrophobicContact CG-CD1 3.82Å; P169-L228 HydrophobicContact CG-CD2 3.66Å; P169-L228 HydrophobicContact CG-CG 4.27Å; T226-L228 PolarHBondContact O-N 3.15Å
229I60.6Low70Confident1 Ų137.6 Ų37.61%0.00519%0.194CC..  trans-129.868.1163.7-50.8-169.4000111.9V161 L232 T263 A266 N270V161-I229 HydrophobicContact CB-CG1 4.34Å; V161-I229 HydrophobicContact CG1-CG1 4.35Å; V161-I229 HydrophobicContact CG2-CD1 3.26Å; V161-I229 HydrophobicContact CG2-CG1 3.34Å; I229-L232 HydrophobicContact CG2-CB 3.14Å; I229-L232 HydrophobicContact CG2-CD2 4.25Å; I229-L232 HydrophobicContact CG2-CG 4.32Å; I229-T263 HydrophobicContact CD1-CG2 3.42Å; I229-T263 VanDerWaalsContact CD1-CG2 3.42Å; I229-A266 HydrophobicContact CB-CB 3.71Å; I229-A266 HydrophobicContact CD1-CB 4Å; I229-A266 HydrophobicContact CG1-CB 3.63Å; I229-N270 VanDerWaalsContact O-CG 3.31Å; I229-N270 PolarHBondContact O-ND2 2.88Å
230G71.1Confident71.6Confident6 Ų634.3 Ų34.36%0.06218%0.176CC..Hα-helixtrans-68.5-44.3150.700000114.2L232 L233 E234 R335G230-L232 PolarHBondContact O-N 3.34Å; G230-L233 PolarHBondContact O-N 3.38Å; G230-E234 PolarHBondContact O-N 2.93Å; G230-E234 VanDerWaalsContact O-N 3.14Å; G230-R335 VanDerWaalsContact CA-C 3.5Å; G230-R335 WeakPolarHBondContact CA-O 3.3Å
231P86Confident73.4Confident16 Ų1636.1 Ų36.110%0.10419%0.185CC..Hα-helixtrans-54.5-41.8-174.7-31.836.1000116.2L158 D235 A336 P337 W340L158-P231 HydrophobicContact CD1-CB 4Å; P231-D235 WeakPolarHBondContact O-CB 3.14Å; P231-D235 PolarHBondContact O-N 3.27Å; P231-A336 HydrophobicContact CB-CB 4.38Å; P231-A336 HydrophobicContact CG-CB 4.16Å; P231-P337 HydrophobicContact CG-CG 4.37Å; P231-W340 HydrophobicContact CG-CE3 4.33Å; P231-W340 HydrophobicContact CG-CZ3 3.86Å
232L92.5Very high75.5Confident0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-70.7-41.7-177-175.556.3000112.2L158 L159 I229 G230 E234 D235 I236 Y257 T263 L267L158-L232 HydrophobicContact CD1-CB 4.22Å; L158-L232 HydrophobicContact CD1-CD1 4.29Å; L158-L232 HydrophobicContact CD2-CD1 3.8Å; L158-L232 HydrophobicContact CG-CB 4.22Å; L158-L232 HydrophobicContact CG-CD1 3.81Å; L159-L232 HydrophobicContact CD2-CD1 3.95Å; L159-L232 HydrophobicContact CD2-CD2 3.77Å; L159-L232 HydrophobicContact CD2-CG 4.49Å; I229-L232 HydrophobicContact CG2-CB 3.14Å; I229-L232 HydrophobicContact CG2-CD2 4.25Å; I229-L232 HydrophobicContact CG2-CG 4.32Å; G230-L232 PolarHBondContact O-N 3.34Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-D235 PolarHBondContact O-N 3.25Å; L232-I236 HydrophobicContact CD1-CD1 4.03Å; L232-I236 HydrophobicContact CD1-CG1 4.22Å; L232-I236 HydrophobicContact CG-CD1 3.87Å; L232-I236 HydrophobicContact CG-CG1 4.48Å; L232-I236 WeakPolarHBondContact O-CB 3.37Å; L232-I236 WeakPolarHBondContact O-CD1 3.34Å; L232-I236 WeakPolarHBondContact O-CG1 3.22Å; L232-I236 PolarHBondContact O-N 2.86Å; L232-Y257 HydrophobicContact CD1-CD1 4.17Å; L232-Y257 HydrophobicContact CD1-CE1 3.92Å; L232-Y257 HydrophobicContact CD1-CE2 4.43Å; L232-Y257 HydrophobicContact CD1-CG 4.47Å; L232-T263 HydrophobicContact CD2-CG2 3.84Å; L232-L267 HydrophobicContact CB-CD2 4.13Å; L232-L267 HydrophobicContact CD2-CD1 3.66Å; L232-L267 HydrophobicContact CD2-CD2 4.03Å; L232-L267 HydrophobicContact CD2-CG 4Å; L232-L267 HydrophobicContact CG-CD1 4.36Å; L232-L267 HydrophobicContact CG-CD2 4.03Å
233L93.3Very high78Confident2 Ų238.6 Ų38.61%0.0119%0.192CC..Hα-helixtrans-65.2-42.3178.5-178.960000110.3G230 I236 A237 L267 N270 L271 F288 F328 A332G230-L233 PolarHBondContact O-N 3.38Å; L233-I236 PolarHBondContact O-N 2.89Å; L233-A237 WeakPolarHBondContact O-CB 3.44Å; L233-A237 PolarHBondContact O-N 2.96Å; L233-L267 HydrophobicContact CB-CD2 3.99Å; L233-N270 HydrophobicContact CD2-CB 3.83Å; L233-N270 WeakPolarHBondContact CD2-O 3.38Å; L233-L271 HydrophobicContact CD1-CD2 3.81Å; L233-L271 HydrophobicContact CD1-CG 4.38Å; L233-L271 HydrophobicContact CD2-CD2 3.98Å; L233-L271 HydrophobicContact CD2-CG 4.31Å; L233-F288 HydrophobicContact CD1-CE1 4.28Å; L233-F288 HydrophobicContact CD1-CZ 4.29Å; L233-F328 HydrophobicContact CD1-CE1 4.35Å; L233-F328 HydrophobicContact CD1-CZ 3.81Å; L233-A332 HydrophobicContact CD1-CB 4.47Å; L233-A332 HydrophobicContact CD2-CB 4.3Å; L233-A332 HydrophobicContact CG-CB 3.81Å
234E91.6Very high80.5Confident56 Ų5635.6 Ų35.626%0.26218%0.181SC..Hα-helixtrans-66-38.5176.4-165.4166.6152.500112.3G230 L232 T238 G334 R335 A336G230-E234 PolarHBondContact O-N 2.93Å; G230-E234 VanDerWaalsContact O-N 3.14Å; L232-E234 VanDerWaalsContact C-N 3.32Å; E234-T238 VanDerWaalsContact O-CB 3.25Å; E234-T238 WeakPolarHBondContact O-CB 3.33Å; E234-T238 PolarHBondContact O-N 3.02Å; E234-T238 PolarHBondContact O-OG1 3.47Å; E234-G334 PolarHBondContact OE2-N 3.02Å; E234-R335 PolarHBondContact OE2-N 2.62Å; E234-A336 HydrophobicContact CB-CB 4Å; E234-A336 HydrophobicContact CG-CB 4.36Å; E234-A336 WeakPolarHBondContact OE2-CA 3.49Å; E234-A336 WeakPolarHBondContact OE2-CB 3.38Å; E234-A336 PolarHBondContact OE2-N 2.75Å
235D93.9Very high83Confident57 Ų5733.9 Ų33.931%0.30518%0.182SC..Hα-helixtrans-64.4-45.7174.3-174.968.2000111.8L158 P231 L232 T238 L239 Y257L158-D235 HydrophobicContact CD1-CB 3.93Å; P231-D235 WeakPolarHBondContact O-CB 3.14Å; P231-D235 PolarHBondContact O-N 3.27Å; L232-D235 PolarHBondContact O-N 3.25Å; D235-T238 PolarHBondContact O-N 2.68Å; D235-L239 WeakPolarHBondContact O-CB 3.4Å; D235-L239 WeakPolarHBondContact O-CG 3.39Å; D235-L239 PolarHBondContact O-N 3.19Å; D235-Y257 PolarHBondContact OD2-OH 2.88Å
236I96.8Very high85.4Confident0 Ų033.9 Ų33.90%019%0.194CC..Hα-helixtrans-58.7-54.6174.8-69.6163.8000109.4H26 I28 L232 L233 T238 L239 L240 F288H26-I236 HydrophobicContact CB-CG1 4.48Å; H26-I236 HydrophobicContact CB-CG2 4.34Å; I28-I236 HydrophobicContact CD1-CD1 3.91Å; I28-I236 HydrophobicContact CG1-CD1 4.41Å; L232-I236 HydrophobicContact CD1-CD1 4.03Å; L232-I236 HydrophobicContact CD1-CG1 4.22Å; L232-I236 HydrophobicContact CG-CD1 3.87Å; L232-I236 HydrophobicContact CG-CG1 4.48Å; L232-I236 WeakPolarHBondContact O-CB 3.37Å; L232-I236 WeakPolarHBondContact O-CD1 3.34Å; L232-I236 WeakPolarHBondContact O-CG1 3.22Å; L232-I236 PolarHBondContact O-N 2.86Å; L233-I236 PolarHBondContact O-N 2.89Å; I236-T238 VanDerWaalsContact C-N 3.26Å; I236-T238 PolarHBondContact O-N 3.16Å; I236-L239 PolarHBondContact O-N 2.98Å; I236-L239 VanDerWaalsContact O-N 3.08Å; I236-L240 HydrophobicContact CG2-CD1 4.06Å; I236-L240 HydrophobicContact CG2-CG 4.16Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.43Å; I236-L240 PolarHBondContact O-N 2.85Å; I236-F288 HydrophobicContact CD1-CD2 4Å; I236-F288 HydrophobicContact CD1-CE2 3.76Å; I236-F288 HydrophobicContact CD1-CZ 4.47Å; I236-F288 HydrophobicContact CG2-CB 4.19Å; I236-F288 HydrophobicContact CG2-CD1 4.47Å; I236-F288 HydrophobicContact CG2-CD2 4.11Å; I236-F288 HydrophobicContact CG2-CG 4.02Å
237A96.5Very high88.1Confident3 Ų334 Ų343%0.02520%0.195CC..Hα-helixtrans-56.1-41.2178.700000112.6L233 L240 M241 F328 A329 A332L233-A237 WeakPolarHBondContact O-CB 3.44Å; L233-A237 PolarHBondContact O-N 2.96Å; A237-L240 PolarHBondContact O-N 2.82Å; A237-M241 WeakPolarHBondContact O-CB 3.47Å; A237-M241 WeakPolarHBondContact O-CG 3.39Å; A237-M241 PolarHBondContact O-N 2.84Å; A237-F328 HydrophobicContact CB-CD1 4.03Å; A237-F328 HydrophobicContact CB-CE1 3.89Å; A237-A329 HydrophobicContact CB-CB 4.32Å; A237-A332 HydrophobicContact CB-CB 3.37Å
238T95.9Very high90.6Very high66 Ų6632.6 Ų32.641%0.40519%0.185SC..Hα-helixtrans-62.8-45176.1-63.90000111.5E234 D235 I236 M241 R242E234-T238 VanDerWaalsContact O-CB 3.25Å; E234-T238 WeakPolarHBondContact O-CB 3.33Å; E234-T238 PolarHBondContact O-N 3.02Å; E234-T238 PolarHBondContact O-OG1 3.47Å; D235-T238 PolarHBondContact O-N 2.68Å; I236-T238 VanDerWaalsContact C-N 3.26Å; I236-T238 PolarHBondContact O-N 3.16Å; T238-M241 PolarHBondContact O-N 3.35Å; T238-R242 HydrophobicContact CG2-CG 4.4Å; T238-R242 WeakPolarHBondContact O-CB 3.29Å; T238-R242 WeakPolarHBondContact O-CG 3.2Å; T238-R242 PolarHBondContact O-N 2.87Å
239L97.2Very high92.6Very high24 Ų2434.4 Ų34.413%0.12620%0.196CC..Hα-helixtrans-67.6-40.2178.5-70.8172.4000112.1D235 I236 R242 K243 L248D235-L239 WeakPolarHBondContact O-CB 3.4Å; D235-L239 WeakPolarHBondContact O-CG 3.39Å; D235-L239 PolarHBondContact O-N 3.19Å; I236-L239 PolarHBondContact O-N 2.98Å; I236-L239 VanDerWaalsContact O-N 3.08Å; L239-R242 PolarHBondContact O-N 2.76Å; L239-K243 PolarHBondContact O-N 2.63Å; L239-L248 HydrophobicContact CB-CD2 4.42Å; L239-L248 HydrophobicContact CD2-CD1 3.77Å; L239-L248 HydrophobicContact CD2-CD2 4.28Å
240L98Very high94.2Very high0 Ų038.6 Ų38.60%022%0.215CC..Hα-helixtrans-60.7-47.4173.7-65-171.3000111.5I24 I236 A237 K243 A244 F288 L290 V299 V325 F328I24-L240 HydrophobicContact CG2-CD2 3.59Å; I236-L240 HydrophobicContact CG2-CD1 4.06Å; I236-L240 HydrophobicContact CG2-CG 4.16Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.43Å; I236-L240 PolarHBondContact O-N 2.85Å; A237-L240 PolarHBondContact O-N 2.82Å; L240-K243 WeakPolarHBondContact O-CB 3.4Å; L240-K243 PolarHBondContact O-N 2.84Å; L240-A244 PolarHBondContact O-N 2.85Å; L240-F288 HydrophobicContact CD1-CB 4.4Å; L240-L290 HydrophobicContact CB-CD1 4.42Å; L240-L290 HydrophobicContact CD2-CB 4.01Å; L240-L290 WeakPolarHBondContact O-CD2 3.37Å; L240-V299 HydrophobicContact CD1-CG1 3.85Å; L240-V299 HydrophobicContact CD1-CG2 3.81Å; L240-V325 HydrophobicContact CB-CG2 4Å; L240-F328 HydrophobicContact CD1-CD1 4.28Å; L240-F328 HydrophobicContact CD1-CE1 4.03Å
241M97.4Very high95.4Very high42 Ų4242.8 Ų42.821%0.20723%0.233CC..Hα-helixtrans-59.3-48.2173.2-80.4-67.8-67.400111.1A237 T238 K243 A244 N245 V325 K326 A329A237-M241 WeakPolarHBondContact O-CB 3.47Å; A237-M241 WeakPolarHBondContact O-CG 3.39Å; A237-M241 PolarHBondContact O-N 2.84Å; T238-M241 PolarHBondContact O-N 3.35Å; M241-K243 VanDerWaalsContact C-N 3.25Å; M241-K243 PolarHBondContact O-N 2.75Å; M241-A244 WeakPolarHBondContact O-CB 3.17Å; M241-A244 PolarHBondContact O-N 3.33Å; M241-A244 VanDerWaalsContact O-N 3.09Å; M241-N245 WeakPolarHBondContact O-CB 3.46Å; M241-N245 PolarHBondContact O-N 3.19Å; M241-N245 PolarHBondContact O-ND2 2.85Å; M241-N245 PolarHBondContact O-OD1 2.6Å; M241-V325 HydrophobicContact CG-CG2 4.2Å; M241-V325 HydrophobicContact SD-CB 4.38Å; M241-V325 HydrophobicContact SD-CG1 3.85Å; M241-V325 HydrophobicContact SD-CG2 3.93Å; M241-K326 HydrophobicContact CE-CG 4.24Å; M241-K326 HydrophobicContact SD-CG 4.15Å; M241-A329 HydrophobicContact CG-CB 3.46Å; M241-A329 VanDerWaalsContact CG-CB 3.46Å; M241-A329 HydrophobicContact SD-CB 4.04Å
242R97.9Very high95.9Very high103 Ų10343.3 Ų43.339%0.38924%0.235SC..Hα-helixtrans-59.9-36.2179.1-73.9175.763.7-162.2-2.7112.5T238 L239 N245 G246 T247 L248T238-R242 HydrophobicContact CG2-CG 4.4Å; T238-R242 WeakPolarHBondContact O-CB 3.29Å; T238-R242 WeakPolarHBondContact O-CG 3.2Å; T238-R242 PolarHBondContact O-N 2.87Å; L239-R242 PolarHBondContact O-N 2.76Å; R242-N245 PolarHBondContact O-N 2.77Å; R242-G246 PolarHBondContact O-N 3.05Å; R242-T247 WeakPolarHBondContact CA-OG1 3.28Å; R242-T247 WeakPolarHBondContact CB-OG1 3.34Å; R242-T247 PolarHBondContact NH2-O 3.27Å; R242-T247 PolarHBondContact O-N 3.14Å; R242-T247 PolarHBondContact O-OG1 2.86Å; R242-T247 VanDerWaalsContact O-OG1 3.12Å; R242-L248 HydrophobicContact CB-CB 3.9Å; R242-L248 PolarHBondContact O-N 3.47Å; R242-L248 VanDerWaalsContact O-N 3.11Å
243K97.6Very high96.2Very high2 Ų246.6 Ų46.61%0.00925%0.249CC..Hα-helixtrans-64.8-48172.6-167.778.1-172.7-168.40111.4R23 I24 L239 L240 M241 N245 G246 L248 D249 E250 L252 L290R23-K243 HydrophobicContact CB-CG 4.32Å; R23-K243 WeakPolarHBondContact O-CE 3.32Å; I24-K243 HydrophobicContact CB-CD 4.24Å; I24-K243 HydrophobicContact CB-CG 4.13Å; I24-K243 HydrophobicContact CD1-CD 4.36Å; I24-K243 HydrophobicContact CG2-CB 4.05Å; I24-K243 HydrophobicContact CG2-CD 4.42Å; I24-K243 HydrophobicContact CG2-CG 3.81Å; L239-K243 PolarHBondContact O-N 2.63Å; L240-K243 WeakPolarHBondContact O-CB 3.4Å; L240-K243 PolarHBondContact O-N 2.84Å; M241-K243 VanDerWaalsContact C-N 3.25Å; M241-K243 PolarHBondContact O-N 2.75Å; K243-N245 PolarHBondContact O-N 3.03Å; K243-G246 PolarHBondContact O-N 2.83Å; K243-L248 HydrophobicContact CB-CB 4.42Å; K243-L248 HydrophobicContact CB-CD2 4.07Å; K243-L248 HydrophobicContact CD-CB 4.39Å; K243-L248 HydrophobicContact CD-CD2 4.09Å; K243-D249 PolarHBondContact NZ-O 2.01Å; K243-E250 PolarHBondContact NZ-O 3.23Å; K243-L252 PolarHBondContact NZ-O 3.41Å; K243-L290 HydrophobicContact CB-CD2 3.86Å; K243-L290 HydrophobicContact CG-CD2 4Å
244A96.8Very high96.4Very high14 Ų1446.5 Ų46.512%0.11625%0.249CC..Hα-helixtrans-59.3-33.8177.500000112.8L240 M241 L290 Y297 V325L240-A244 PolarHBondContact O-N 2.85Å; M241-A244 WeakPolarHBondContact O-CB 3.17Å; M241-A244 PolarHBondContact O-N 3.33Å; M241-A244 VanDerWaalsContact O-N 3.09Å; A244-L290 HydrophobicContact CB-CD2 4.49Å; A244-Y297 HydrophobicContact CB-CD1 3.9Å; A244-Y297 HydrophobicContact CB-CD2 3.6Å; A244-Y297 HydrophobicContact CB-CE1 4.2Å; A244-Y297 HydrophobicContact CB-CE2 3.92Å; A244-Y297 HydrophobicContact CB-CG 3.57Å; A244-Y297 WeakPolarHBondContact O-CE2 3.49Å; A244-Y297 PolarHBondContact O-OH 3.01Å; A244-V325 HydrophobicContact CB-CG1 4.02Å
245N96.2Very high96.7Very high95 Ų9544 Ų4451%0.50824%0.237SC..THydrogen-bonded Turntrans-87.6-5.1-176.7-49.4-7.2000113.5M241 R242 K243 T247M241-N245 WeakPolarHBondContact O-CB 3.46Å; M241-N245 PolarHBondContact O-N 3.19Å; M241-N245 PolarHBondContact O-ND2 2.85Å; M241-N245 PolarHBondContact O-OD1 2.6Å; R242-N245 PolarHBondContact O-N 2.77Å; K243-N245 PolarHBondContact O-N 3.03Å; N245-T247 HydrophobicContact CB-CG2 4.3Å
246G95.8Very high97Very high50 Ų5041.3 Ų41.352%0.51522%0.223SC..THydrogen-bonded Turntrans71.124.4-175.400000115R242 K243R242-G246 PolarHBondContact O-N 3.05Å; K243-G246 PolarHBondContact O-N 2.83Å
247T97.2Very high97.1Very high85 Ų8541.5 Ų41.552%0.52122%0.223SC..  trans-108.7-4.4179.8630000113.6R242 N245R242-T247 WeakPolarHBondContact CA-OG1 3.28Å; R242-T247 WeakPolarHBondContact CB-OG1 3.34Å; R242-T247 PolarHBondContact NH2-O 3.27Å; R242-T247 PolarHBondContact O-N 3.14Å; R242-T247 PolarHBondContact O-OG1 2.86Å; R242-T247 VanDerWaalsContact O-OG1 3.12Å; N245-T247 HydrophobicContact CB-CG2 4.3Å
248L96.4Very high97.2Very high18 Ų1841.3 Ų41.39%0.09422%0.222CC..SBendtrans-96.3154.6166-168.661.8000108.7I24 L239 R242 K243 E250 L252I24-L248 HydrophobicContact CD1-CD2 3.75Å; L239-L248 HydrophobicContact CB-CD2 4.42Å; L239-L248 HydrophobicContact CD2-CD1 3.77Å; L239-L248 HydrophobicContact CD2-CD2 4.28Å; R242-L248 HydrophobicContact CB-CB 3.9Å; R242-L248 PolarHBondContact O-N 3.47Å; R242-L248 VanDerWaalsContact O-N 3.11Å; K243-L248 HydrophobicContact CB-CB 4.42Å; K243-L248 HydrophobicContact CB-CD2 4.07Å; K243-L248 HydrophobicContact CD-CB 4.39Å; K243-L248 HydrophobicContact CD-CD2 4.09Å; L248-E250 PolarHBondContact O-N 2.96Å; L248-E250 VanDerWaalsContact O-N 3.16Å; L248-L252 HydrophobicContact CD1-CD2 4.23Å; L248-L252 HydrophobicContact CD2-CD2 4.1Å; L248-L252 HydrophobicContact CG-CD2 4.25Å
249D95.1Very high97.2Very high83 Ų8338.2 Ų38.244%0.44420%0.203SC..  trans-55.3123175.1-168.8-27.8000110.3K243 Q251 L252K243-D249 PolarHBondContact NZ-O 2.01Å; D249-Q251 PolarHBondContact O-N 2.91Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.42Å; D249-Q251 PolarHBondContact OD1-N 3.3Å; D249-L252 HydrophobicContact CB-CB 4.34Å; D249-L252 PolarHBondContact O-N 3.46Å; D249-L252 VanDerWaalsContact O-N 3.14Å
250E94.4Very high97Very high88 Ų8837.4 Ų37.441%0.41120%0.199SC..THydrogen-bonded Turntrans-61.3-26.4178.6-77.7-59.1135.300112.2R23 K243 L248R23-E250 IonicContact CZ-OE2 3.21Å; R23-E250 IonicContact NH2-OE2 2.84Å; R23-E250 PolarHBondContact NH2-OE2 3.1Å; K243-E250 PolarHBondContact NZ-O 3.23Å; L248-E250 PolarHBondContact O-N 2.96Å; L248-E250 VanDerWaalsContact O-N 3.16Å
251Q96.2Very high96.7Very high94 Ų9437.8 Ų37.844%0.43920%0.2SC..THydrogen-bonded Turntrans-76.4-25.1178.5-56.5-164.619.600113.1K106 S107 D249 K253K106-Q251 HydrophobicContact CB-CB 3.89Å; K106-Q251 CarbonylContact O-C 3.4Å; S107-Q251 WeakPolarHBondContact CA-O 3.49Å; S107-Q251 VanDerWaalsContact CB-O 3.31Å; S107-Q251 WeakPolarHBondContact CB-O 3.35Å; D249-Q251 PolarHBondContact O-N 2.91Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.42Å; D249-Q251 PolarHBondContact OD1-N 3.3Å; Q251-K253 WeakPolarHBondContact O-CG 3.16Å; Q251-K253 PolarHBondContact O-N 3.26Å
252L98Very high96.3Very high28 Ų2836.1 Ų36.115%0.14719%0.193CC..  trans-67.7113.9179.6-177.561.7000110.2I24 K106 K243 L248 D249 V255I24-L252 HydrophobicContact CD1-CD2 4.34Å; I24-L252 HydrophobicContact CD1-CG 4.18Å; K106-L252 VanDerWaalsContact O-CA 3.3Å; K106-L252 WeakPolarHBondContact O-CA 3.47Å; K106-L252 PolarHBondContact O-N 3.1Å; K243-L252 PolarHBondContact NZ-O 3.41Å; L248-L252 HydrophobicContact CD1-CD2 4.23Å; L248-L252 HydrophobicContact CD2-CD2 4.1Å; L248-L252 HydrophobicContact CG-CD2 4.25Å; D249-L252 HydrophobicContact CB-CB 4.34Å; D249-L252 PolarHBondContact O-N 3.46Å; D249-L252 VanDerWaalsContact O-N 3.14Å; L252-V255 HydrophobicContact CD1-CG2 4.19Å; L252-V255 HydrophobicContact CD2-CG2 4.04Å; L252-V255 HydrophobicContact CG-CG2 4.14Å
253K97.5Very high96Very high69 Ų6931.2 Ų31.230%0.317%0.174SC..  trans-116.6-29.8-173.5-76.6-176.4172.4-168.90112.9I24 V25 F99 L100 S107 Q251I24-K253 CarbonylContact C-O 3.56Å; I24-K253 WeakPolarHBondContact CA-O 3.28Å; V25-K253 PolarHBondContact N-O 3.48Å; F99-K253 HydrophobicContact CD2-CD 4.48Å; F99-K253 HydrophobicContact CE1-CB 3.67Å; F99-K253 HydrophobicContact CE1-CD 4.26Å; F99-K253 HydrophobicContact CE1-CG 4.09Å; F99-K253 WeakPolarHBondContact CE1-O 3.45Å; F99-K253 HydrophobicContact CE2-CB 4.49Å; F99-K253 HydrophobicContact CE2-CD 3.9Å; F99-K253 HydrophobicContact CE2-CG 4.01Å; F99-K253 HydrophobicContact CZ-CB 3.56Å; F99-K253 HydrophobicContact CZ-CD 3.79Å; F99-K253 HydrophobicContact CZ-CG 3.5Å; F99-K253 VanDerWaalsContact CZ-CG 3.5Å; F99-K253 PolarHBondContact O-NZ 3.29Å; L100-K253 HydrophobicContact CD1-CD 4.15Å; L100-K253 HydrophobicContact CD2-CB 4.39Å; S107-K253 PolarHBondContact O-N 2.9Å; Q251-K253 WeakPolarHBondContact O-CG 3.16Å; Q251-K253 PolarHBondContact O-N 3.26Å
254Y98.3Very high95.8Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-138.2119.7-170.3-174.8-82.1000110.4V25 V27 Y96 L100 S107 V108 Y109 M129 A256V25-Y254 HydrophobicContact CG1-CD2 3.41Å; V25-Y254 VanDerWaalsContact CG1-CD2 3.41Å; V25-Y254 HydrophobicContact CG1-CE2 4.14Å; V25-Y254 HydrophobicContact CG1-CG 4.11Å; V25-Y254 WeakPolarHBondContact O-CA 3.49Å; V27-Y254 HydrophobicContact CG2-CD1 4.43Å; V27-Y254 HydrophobicContact CG2-CD2 4.05Å; V27-Y254 HydrophobicContact CG2-CE1 3.86Å; V27-Y254 HydrophobicContact CG2-CE2 3.38Å; V27-Y254 WeakPolarHBondContact CG2-OH 3.5Å; Y96-Y254 HydrophobicContact CD2-CD2 4.5Å; Y96-Y254 HydrophobicContact CD2-CE2 4.14Å; Y96-Y254 HydrophobicContact CE2-CE2 4.3Å; L100-Y254 VanDerWaalsContact CD2-CB 3.43Å; L100-Y254 HydrophobicContact CD2-CD2 4.27Å; L100-Y254 HydrophobicContact CD2-CG 4.06Å; S107-Y254 PolarHBondContact O-N 3.44Å; V108-Y254 WeakPolarHBondContact CA-O 3.31Å; V108-Y254 HydrophobicContact CG1-CD1 4.15Å; Y109-Y254 PolarHBondContact N-O 3.05Å; M129-Y254 HydrophobicContact CE-CD2 4.19Å; M129-Y254 HydrophobicContact CE-CE2 3.89Å; M129-Y254 HydrophobicContact SD-CE2 4.34Å; Y254-A256 HydrophobicContact CD1-CB 4.14Å; Y254-A256 HydrophobicContact CE1-CB 3.5Å; Y254-A256 VanDerWaalsContact CE1-CB 3.5Å
255V98.7Very high95.6Very high3 Ų331 Ų312%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-119.2111.2-179.9-171.60000108I24 V25 H26 V27 Y109 L252 Y257I24-V255 HydrophobicContact CD1-CG2 3.96Å; I24-V255 HydrophobicContact CG1-CG2 4.39Å; V25-V255 PolarHBondContact O-N 3.11Å; H26-V255 CarbonylContact C-O 3.51Å; H26-V255 VanDerWaalsContact CA-O 3.26Å; H26-V255 WeakPolarHBondContact CA-O 3.46Å; V27-V255 PolarHBondContact N-O 3.21Å; Y109-V255 HydrophobicContact CD1-CG1 3.92Å; Y109-V255 CarbonylContact O-C 3.59Å; Y109-V255 WeakPolarHBondContact O-CA 3Å; L252-V255 HydrophobicContact CD1-CG2 4.19Å; L252-V255 HydrophobicContact CD2-CG2 4.04Å; L252-V255 HydrophobicContact CG-CG2 4.14Å; V255-Y257 HydrophobicContact CB-CE2 4.33Å; V255-Y257 HydrophobicContact CG1-CD2 4.46Å; V255-Y257 HydrophobicContact CG1-CE1 4.36Å; V255-Y257 HydrophobicContact CG1-CE2 3.55Å; V255-Y257 WeakPolarHBondContact CG1-OH 3.38Å
256A98.7Very high95.2Very high0 Ų026.5 Ų26.50%015%0.147CC..EExtended strand (participates in β ladder)trans-108.3142.1-176.100000112.6V27 W29 Y109 V110 R111 Y254V27-A256 CarbonylContact O-C 3.58Å; V27-A256 WeakPolarHBondContact O-CA 3.44Å; W29-A256 HydrophobicContact CH2-CB 3.35Å; W29-A256 HydrophobicContact CZ3-CB 3.46Å; W29-A256 VanDerWaalsContact CZ3-CB 3.46Å; Y109-A256 PolarHBondContact O-N 3.17Å; V110-A256 WeakPolarHBondContact CA-O 3.44Å; V110-A256 HydrophobicContact CB-CB 4.33Å; V110-A256 HydrophobicContact CG1-CB 4Å; V110-A256 HydrophobicContact CG2-CB 3.97Å; R111-A256 PolarHBondContact N-O 2.63Å; Y254-A256 HydrophobicContact CD1-CB 4.14Å; Y254-A256 HydrophobicContact CE1-CB 3.5Å; Y254-A256 VanDerWaalsContact CE1-CB 3.5Å
257Y98.6Very high95.1Very high4 Ų424.1 Ų24.12%0.01612%0.123CC..EExtended strand (participates in β ladder)trans-131.2111.7177.5-52.9-90.4000110H26 V27 I28 W29 R111 L158 L159 L232 D235 V255H26-Y257 HydrophobicContact CB-CE2 4.37Å; H26-Y257 AromaticContact ND1-CE2 3.62Å; H26-Y257 PolarHBondContact ND1-OH 2.93Å; V27-Y257 PolarHBondContact O-N 3.24Å; I28-Y257 WeakPolarHBondContact CA-O 3.39Å; I28-Y257 HydrophobicContact CD1-CD2 4.23Å; I28-Y257 HydrophobicContact CG1-CD2 3.77Å; I28-Y257 HydrophobicContact CG1-CG 4.28Å; W29-Y257 PolarHBondContact N-O 2.91Å; R111-Y257 HydrophobicContact CB-CD1 4.2Å; R111-Y257 CarbonylContact O-C 3.47Å; R111-Y257 VanDerWaalsContact O-CA 3.23Å; R111-Y257 WeakPolarHBondContact O-CA 3.01Å; L158-Y257 HydrophobicContact CD2-CE1 4Å; L159-Y257 HydrophobicContact CD1-CD1 4.14Å; L159-Y257 HydrophobicContact CD2-CD1 3.7Å; L159-Y257 HydrophobicContact CD2-CG 4.09Å; L159-Y257 HydrophobicContact CG-CD1 4.37Å; L232-Y257 HydrophobicContact CD1-CD1 4.17Å; L232-Y257 HydrophobicContact CD1-CE1 3.92Å; L232-Y257 HydrophobicContact CD1-CE2 4.43Å; L232-Y257 HydrophobicContact CD1-CG 4.47Å; D235-Y257 PolarHBondContact OD2-OH 2.88Å; V255-Y257 HydrophobicContact CB-CE2 4.33Å; V255-Y257 HydrophobicContact CG1-CD2 4.46Å; V255-Y257 HydrophobicContact CG1-CE1 4.36Å; V255-Y257 HydrophobicContact CG1-CE2 3.55Å; V255-Y257 WeakPolarHBondContact CG1-OH 3.38Å
258S98.7Very high94.9Very high0 Ų020.1 Ų20.10%010%0.098CC..EExtended strand (participates in β ladder)trans-98.2114.7173.7-170.40000111.2W29 R111 S112 T113 T118W29-S258 VanDerWaalsContact NE1-CB 3.35Å; W29-S258 PolarHBondContact NE1-OG 2.86Å; R111-S258 PolarHBondContact O-N 3.05Å; S112-S258 VanDerWaalsContact CA-O 3.23Å; S112-S258 WeakPolarHBondContact CA-O 3.35Å; S112-S258 PolarHBondContact OG-O 3.18Å; T113-S258 PolarHBondContact N-O 3.38Å; T113-S258 VanDerWaalsContact N-O 3.16Å; T118-S258 PolarHBondContact O-OG 2.92Å
259A96.7Very high94.6Very high0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-144.4-146.1-167.300000112.1W29 H31 T113 T118 L159 T263W29-A259 PolarHBondContact O-N 3.14Å; H31-A259 PolarHBondContact N-O 2.89Å; H31-A259 VanDerWaalsContact N-O 3.16Å; T113-A259 HydrophobicContact CG2-CB 4.38Å; T118-A259 WeakPolarHBondContact CG2-O 3.49Å; L159-A259 HydrophobicContact CB-CB 4.37Å; A259-T263 HydrophobicContact CB-CG2 3.74Å; A259-T263 VanDerWaalsContact CB-OG1 3.32Å; A259-T263 WeakPolarHBondContact CB-OG1 3.31Å
260H93.9Very high94.3Very high8 Ų818.2 Ų18.24%0.0379%0.09CC..  trans-119.7165.4-169.5-56.2-74.8000111.7H31 T113 E160 T262 T263 L264H31-H260 AromaticContact CD2-ND1 3.77Å; H31-H260 AromaticContact NE2-ND1 4Å; T113-H260 PolarHBondContact OG1-NE2 3.39Å; E160-H260 IonicContact OE2-NE2 3.23Å; H260-T262 WeakPolarHBondContact CB-OG1 3.26Å; H260-T262 PolarHBondContact O-N 2.77Å; H260-T263 PolarHBondContact N-OG1 3.42Å; H260-T263 VanDerWaalsContact O-CB 3.28Å; H260-T263 WeakPolarHBondContact O-CB 3.28Å; H260-T263 PolarHBondContact O-N 2.95Å; H260-T263 PolarHBondContact O-OG1 2.86Å; H260-L264 WeakPolarHBondContact O-CD1 3.44Å; H260-L264 PolarHBondContact O-N 3.39Å
261E91Very high94.2Very high8 Ų814.1 Ų14.14%0.0377%0.071CC..Hα-helixtrans-51.1-40.2168.953.2-90.1-153.600112R30 H31 R34 T222 T263 L264 I265 P280R30-E261 HydrophobicContact CG-CB 4.39Å; R30-E261 IonicContact CZ-OE2 3.66Å; R30-E261 IonicContact NE-OE2 3.48Å; R30-E261 PolarHBondContact NE-OE2 3.16Å; R30-E261 IonicContact NH2-OE2 2.88Å; H31-E261 IonicContact NE2-OE2 3.63Å; R34-E261 IonicContact NH2-OE1 3.9Å; T222-E261 HydrophobicContact CG2-CB 4.25Å; T222-E261 HydrophobicContact CG2-CG 4.13Å; E261-T263 VanDerWaalsContact C-N 3.25Å; E261-T263 PolarHBondContact O-N 2.78Å; E261-L264 PolarHBondContact O-N 3.31Å; E261-L264 VanDerWaalsContact O-N 3.1Å; E261-I265 VanDerWaalsContact O-CG1 3.32Å; E261-I265 WeakPolarHBondContact O-CG1 3.46Å; E261-I265 PolarHBondContact O-N 3.25Å; E261-P280 HydrophobicContact CB-CB 4.39Å
262T88.2Confident93.9Very high7 Ų714.1 Ų14.14%0.0437%0.073CC..Hα-helixtrans-65.8-32.3-17846.20000111T162 K223 H260 A266T162-T262 HydrophobicContact CG2-CG2 3.65Å; K223-T262 HydrophobicContact CB-CG2 4.27Å; K223-T262 WeakPolarHBondContact O-CG2 3.26Å; H260-T262 WeakPolarHBondContact CB-OG1 3.26Å; H260-T262 PolarHBondContact O-N 2.77Å; T262-A266 WeakPolarHBondContact O-CB 3.2Å; T262-A266 PolarHBondContact O-N 2.8Å
263T92.4Very high93.6Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-64.3-45.2173.1-44.50000110.9I28 L159 I229 L232 A259 H260 E261 L267I28-T263 HydrophobicContact CG2-CG2 4.23Å; L159-T263 HydrophobicContact CD2-CG2 4.47Å; L159-T263 PolarHBondContact O-OG1 3.19Å; I229-T263 HydrophobicContact CD1-CG2 3.42Å; I229-T263 VanDerWaalsContact CD1-CG2 3.42Å; L232-T263 HydrophobicContact CD2-CG2 3.84Å; A259-T263 HydrophobicContact CB-CG2 3.74Å; A259-T263 VanDerWaalsContact CB-OG1 3.32Å; A259-T263 WeakPolarHBondContact CB-OG1 3.31Å; H260-T263 PolarHBondContact N-OG1 3.42Å; H260-T263 VanDerWaalsContact O-CB 3.28Å; H260-T263 WeakPolarHBondContact O-CB 3.28Å; H260-T263 PolarHBondContact O-N 2.95Å; H260-T263 PolarHBondContact O-OG1 2.86Å; E261-T263 VanDerWaalsContact C-N 3.25Å; E261-T263 PolarHBondContact O-N 2.78Å; T263-L267 WeakPolarHBondContact O-CG 3.27Å; T263-L267 PolarHBondContact O-N 3.15Å
264L94.2Very high93.3Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-69.9-43.9179.5-83.170.3000111.4I28 R30 H260 E261 A266 L267 L268 P280 A284 Y303I28-L264 HydrophobicContact CG2-CD1 3.98Å; R30-L264 HydrophobicContact CB-CD1 4.49Å; R30-L264 HydrophobicContact CB-CD2 4.42Å; H260-L264 WeakPolarHBondContact O-CD1 3.44Å; H260-L264 PolarHBondContact O-N 3.39Å; E261-L264 PolarHBondContact O-N 3.31Å; E261-L264 VanDerWaalsContact O-N 3.1Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 2.84Å; L264-L267 PolarHBondContact O-N 2.97Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 VanDerWaalsContact O-CG 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.27Å; L264-L268 PolarHBondContact O-N 3.1Å; L264-P280 HydrophobicContact CB-CB 4.12Å; L264-P280 HydrophobicContact CB-CG 3.62Å; L264-P280 HydrophobicContact CD2-CB 3.96Å; L264-P280 HydrophobicContact CD2-CG 4.33Å; L264-A284 HydrophobicContact CD2-CB 3.84Å; L264-A284 WeakPolarHBondContact CD2-O 3.41Å; L264-Y303 HydrophobicContact CD2-CE2 4.3Å
265I91.4Very high92.9Very high10 Ų1016.5 Ų16.55%0.0519%0.087CC..Hα-helixtrans-56.7-50.3174-68.2169000109.6T222 E261 L267 L268 T269 Y274 P280T222-I265 HydrophobicContact CG2-CD1 3.92Å; E261-I265 VanDerWaalsContact O-CG1 3.32Å; E261-I265 WeakPolarHBondContact O-CG1 3.46Å; E261-I265 PolarHBondContact O-N 3.25Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 3.46Å; I265-L268 PolarHBondContact O-N 3.06Å; I265-T269 PolarHBondContact O-N 3.35Å; I265-T269 PolarHBondContact O-OG1 3.23Å; I265-Y274 HydrophobicContact CB-CE2 4.26Å; I265-Y274 HydrophobicContact CG1-CE2 3.79Å; I265-Y274 HydrophobicContact CG2-CD1 4.28Å; I265-Y274 HydrophobicContact CG2-CD2 4.36Å; I265-Y274 HydrophobicContact CG2-CE1 3.9Å; I265-Y274 HydrophobicContact CG2-CE2 4.02Å; I265-Y274 HydrophobicContact CG2-CG 4.49Å; I265-P280 VanDerWaalsContact CG1-CD 3.49Å; I265-P280 HydrophobicContact CG1-CG 3.87Å
266A88.3Confident92Very high2 Ų221.3 Ų21.32%0.01712%0.116CC..Hα-helixtrans-60.9-40.7-179.800000112.1V161 V227 I229 T262 L264 T269 N270V161-A266 HydrophobicContact CG2-CB 4.34Å; V227-A266 HydrophobicContact CG1-CB 4.19Å; I229-A266 HydrophobicContact CB-CB 3.71Å; I229-A266 HydrophobicContact CD1-CB 4Å; I229-A266 HydrophobicContact CG1-CB 3.63Å; T262-A266 WeakPolarHBondContact O-CB 3.2Å; T262-A266 PolarHBondContact O-N 2.8Å; L264-A266 VanDerWaalsContact C-N 3.34Å; L264-A266 PolarHBondContact O-N 2.84Å; A266-T269 PolarHBondContact O-N 2.85Å; A266-N270 WeakPolarHBondContact O-CB 3.43Å; A266-N270 PolarHBondContact O-N 3.05Å; A266-N270 PolarHBondContact O-ND2 2.99Å
267L92.5Very high91.4Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-63.7-48.4174-80.3177000112.2I28 L232 L233 T263 L264 I265 T269 N270 L271 L286I28-L267 HydrophobicContact CB-CD1 4.24Å; I28-L267 HydrophobicContact CD1-CD1 4.48Å; I28-L267 HydrophobicContact CG1-CD1 3.99Å; I28-L267 HydrophobicContact CG2-CD1 4.05Å; L232-L267 HydrophobicContact CB-CD2 4.13Å; L232-L267 HydrophobicContact CD2-CD1 3.66Å; L232-L267 HydrophobicContact CD2-CD2 4.03Å; L232-L267 HydrophobicContact CD2-CG 4Å; L232-L267 HydrophobicContact CG-CD1 4.36Å; L232-L267 HydrophobicContact CG-CD2 4.03Å; L233-L267 HydrophobicContact CB-CD2 3.99Å; T263-L267 WeakPolarHBondContact O-CG 3.27Å; T263-L267 PolarHBondContact O-N 3.15Å; L264-L267 PolarHBondContact O-N 2.97Å; I265-L267 VanDerWaalsContact C-N 3.32Å; I265-L267 PolarHBondContact O-N 3.46Å; L267-T269 VanDerWaalsContact C-N 3.27Å; L267-T269 PolarHBondContact O-N 2.82Å; L267-N270 CarbonylContact O-C 3.49Å; L267-N270 PolarHBondContact O-N 3.23Å; L267-N270 VanDerWaalsContact O-N 3.13Å; L267-L271 WeakPolarHBondContact O-CB 3.33Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 3.28Å; L267-L286 HydrophobicContact CB-CD2 3.97Å; L267-L286 HydrophobicContact CD1-CD2 3.96Å
268L93.7Very high90.9Very high0 Ų027.8 Ų27.80%016%0.155CC..Hα-helixtrans-61.8-36.9178.6-69.6167.8000111.4L264 I265 L271 D272 V273 Y274 M278 L286 Y303 L314L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 VanDerWaalsContact O-CG 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.27Å; L264-L268 PolarHBondContact O-N 3.1Å; I265-L268 PolarHBondContact O-N 3.06Å; L268-L271 PolarHBondContact O-N 2.87Å; L268-D272 PolarHBondContact O-N 2.89Å; L268-V273 HydrophobicContact CB-CG2 4.37Å; L268-V273 HydrophobicContact CD2-CG2 3.89Å; L268-V273 WeakPolarHBondContact O-CG2 3.45Å; L268-V273 PolarHBondContact O-N 3.47Å; L268-V273 VanDerWaalsContact O-N 3.1Å; L268-Y274 HydrophobicContact CB-CD2 3.86Å; L268-Y274 HydrophobicContact CB-CG 4.24Å; L268-Y274 HydrophobicContact CD1-CD2 4.01Å; L268-Y274 PolarHBondContact O-N 2.97Å; L268-M278 HydrophobicContact CD1-CE 4.39Å; L268-M278 HydrophobicContact CD2-CE 4.03Å; L268-L286 HydrophobicContact CD2-CD1 3.99Å; L268-Y303 HydrophobicContact CD1-CE1 4.25Å; L268-Y303 HydrophobicContact CD1-CE2 4.23Å; L268-L314 HydrophobicContact CD2-CD1 3.7Å
269T90.3Very high90.4Very high45 Ų4529 Ų2928%0.27617%0.165SC..Hα-helixtrans-69.7-39.9174.1-51.40000111.2V227 I265 A266 L267 L271 D272V227-T269 HydrophobicContact CG2-CG2 3.67Å; I265-T269 PolarHBondContact O-N 3.35Å; I265-T269 PolarHBondContact O-OG1 3.23Å; A266-T269 PolarHBondContact O-N 2.85Å; L267-T269 VanDerWaalsContact C-N 3.27Å; L267-T269 PolarHBondContact O-N 2.82Å; T269-L271 PolarHBondContact O-N 2.82Å; T269-D272 PolarHBondContact O-N 3.37Å
270N88.7Confident90.2Very high17 Ų1729 Ų299%0.09117%0.165CC..Hα-helixtrans-70.9-5.9173-81.2-81.6000113.7V227 I229 L233 A266 L267 R335V227-N270 WeakPolarHBondContact CG1-ND2 3.46Å; I229-N270 VanDerWaalsContact O-CG 3.31Å; I229-N270 PolarHBondContact O-ND2 2.88Å; L233-N270 HydrophobicContact CD2-CB 3.83Å; L233-N270 WeakPolarHBondContact CD2-O 3.38Å; A266-N270 WeakPolarHBondContact O-CB 3.43Å; A266-N270 PolarHBondContact O-N 3.05Å; A266-N270 PolarHBondContact O-ND2 2.99Å; L267-N270 CarbonylContact O-C 3.49Å; L267-N270 PolarHBondContact O-N 3.23Å; L267-N270 VanDerWaalsContact O-N 3.13Å; N270-R335 VanDerWaalsContact CA-NH1 3.31Å; N270-R335 PolarHBondContact O-NE 3.13Å; N270-R335 VanDerWaalsContact O-NE 3.14Å; N270-R335 PolarHBondContact O-NH1 3.37Å; N270-R335 PolarHBondContact O-NH2 3.44Å; N270-R335 WeakPolarHBondContact OD1-CD 3.28Å
271L91.7Very high90.1Very high2 Ų232.8 Ų32.81%0.0118%0.183CC..THydrogen-bonded Turntrans-101.61.2170-72.4170.1000111.8L233 L267 L268 T269 V273 L286 F288 T301 L316 F328L233-L271 HydrophobicContact CD1-CD2 3.81Å; L233-L271 HydrophobicContact CD1-CG 4.38Å; L233-L271 HydrophobicContact CD2-CD2 3.98Å; L233-L271 HydrophobicContact CD2-CG 4.31Å; L267-L271 WeakPolarHBondContact O-CB 3.33Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.37Å; L267-L271 PolarHBondContact O-N 3.28Å; L268-L271 PolarHBondContact O-N 2.87Å; T269-L271 PolarHBondContact O-N 2.82Å; L271-V273 HydrophobicContact CB-CG2 3.71Å; L271-V273 PolarHBondContact O-N 2.79Å; L271-L286 HydrophobicContact CD1-CD2 4.27Å; L271-F288 HydrophobicContact CD1-CE1 3.94Å; L271-F288 HydrophobicContact CD1-CZ 3.88Å; L271-F288 HydrophobicContact CD2-CE1 4.3Å; L271-T301 HydrophobicContact CD1-CG2 4.2Å; L271-L316 HydrophobicContact CB-CD2 4.13Å; L271-L316 HydrophobicContact CD1-CD2 4.35Å; L271-L316 HydrophobicContact CD2-CD1 4.2Å; L271-L316 HydrophobicContact CD2-CD2 4.03Å; L271-L316 HydrophobicContact CG-CD2 4.41Å; L271-F328 HydrophobicContact CD2-CE2 4.19Å
272D90Very high90.1Very high93 Ų9333.2 Ų33.250%0.49719%0.185SC..THydrogen-bonded Turntrans56.629.5-177-55.4-48.7000113.7L268 T269 P317 R335L268-D272 PolarHBondContact O-N 2.89Å; T269-D272 PolarHBondContact O-N 3.37Å; D272-P317 HydrophobicContact CB-CG 4.26Å; D272-R335 IonicContact OD1-NH1 2.7Å; D272-R335 IonicContact OD2-CZ 2.84Å; D272-R335 IonicContact OD2-NH1 3.75Å; D272-R335 IonicContact OD2-NH2 3.67Å; D272-R335 PolarHBondContact OD2-NH2 3.1Å
273V92.7Very high90.4Very high27 Ų2732.9 Ų32.916%0.16418%0.183CC..  trans-118.8-3.6-178.9-66.70000113.6L268 L271 D275 L314 N315 L316 P317L268-V273 HydrophobicContact CB-CG2 4.37Å; L268-V273 HydrophobicContact CD2-CG2 3.89Å; L268-V273 WeakPolarHBondContact O-CG2 3.45Å; L268-V273 PolarHBondContact O-N 3.47Å; L268-V273 VanDerWaalsContact O-N 3.1Å; L271-V273 HydrophobicContact CB-CG2 3.71Å; L271-V273 PolarHBondContact O-N 2.79Å; V273-D275 PolarHBondContact O-N 2.91Å; V273-L314 HydrophobicContact CG2-CD1 4.06Å; V273-N315 WeakPolarHBondContact CG1-O 3.43Å; V273-L316 HydrophobicContact CG1-CD2 4.15Å; V273-P317 HydrophobicContact CG1-CG 4.37Å
274Y91.6Very high90.6Very high51 Ų5132.9 Ų32.920%0.218%0.183CC..  trans-72.2130.4-177.1-176.3-109.3000112.8W224 I265 L268 M278W224-Y274 WeakPolarHBondContact CH2-OH 3.24Å; W224-Y274 HydrophobicContact CZ3-CE1 4.15Å; W224-Y274 AromaticContact CZ3-CZ 3.99Å; W224-Y274 WeakPolarHBondContact CZ3-OH 3.3Å; I265-Y274 HydrophobicContact CB-CE2 4.26Å; I265-Y274 HydrophobicContact CG1-CE2 3.79Å; I265-Y274 HydrophobicContact CG2-CD1 4.28Å; I265-Y274 HydrophobicContact CG2-CD2 4.36Å; I265-Y274 HydrophobicContact CG2-CE1 3.9Å; I265-Y274 HydrophobicContact CG2-CE2 4.02Å; I265-Y274 HydrophobicContact CG2-CG 4.49Å; L268-Y274 HydrophobicContact CB-CD2 3.86Å; L268-Y274 HydrophobicContact CB-CG 4.24Å; L268-Y274 HydrophobicContact CD1-CD2 4.01Å; L268-Y274 PolarHBondContact O-N 2.97Å; Y274-M278 HydrophobicContact CD2-CB 4.41Å; Y274-M278 HydrophobicContact CE2-CB 4.45Å
275D88.2Confident90.8Very high69 Ų6932.9 Ų32.937%0.36918%0.183SC..  trans-131.6165.416277.965.3000111.2V273 T277 M278V273-D275 PolarHBondContact O-N 2.91Å; D275-T277 PolarHBondContact O-N 3.1Å; D275-T277 VanDerWaalsContact OD1-CA 3.29Å; D275-T277 WeakPolarHBondContact OD1-CA 3.17Å; D275-T277 WeakPolarHBondContact OD1-CB 3.22Å; D275-T277 PolarHBondContact OD1-N 2.89Å; D275-T277 PolarHBondContact OD1-OG1 3.23Å; D275-M278 WeakPolarHBondContact O-CB 3.1Å; D275-M278 PolarHBondContact O-N 3.5Å; D275-M278 PolarHBondContact OD1-N 3.42Å
276V80.6Confident91.1Very high104 Ų10432.5 Ų32.563%0.6318%0.18SC*.G310 helixtrans-63.2-24.1-174.8-63.20000114.1W224 M278 A279W224-V276 HydrophobicContact CH2-CB 4.13Å; W224-V276 HydrophobicContact CH2-CG1 4.08Å; W224-V276 HydrophobicContact CZ3-CG1 4.12Å; V276-M278 PolarHBondContact O-N 3.39Å; V276-A279 PolarHBondContact O-N 2.79Å
277T85.4Confident91.6Very high115 Ų11532.6 Ų32.671%0.70618%0.181SC*.G310 helixtrans-76.5-14.8176.177.40000112.3D275 A279D275-T277 PolarHBondContact O-N 3.1Å; D275-T277 VanDerWaalsContact OD1-CA 3.29Å; D275-T277 WeakPolarHBondContact OD1-CA 3.17Å; D275-T277 WeakPolarHBondContact OD1-CB 3.22Å; D275-T277 PolarHBondContact OD1-N 2.89Å; D275-T277 PolarHBondContact OD1-OG1 3.23Å; T277-A279 VanDerWaalsContact C-N 3.33Å
278M89.3Confident91.9Very high26 Ų2632.6 Ų32.613%0.12818%0.181CC..G310 helixtrans-90.89.8175.3-58.4-177.371.400113.5L268 Y274 D275 V276 P280 Y303 L314L268-M278 HydrophobicContact CD1-CE 4.39Å; L268-M278 HydrophobicContact CD2-CE 4.03Å; Y274-M278 HydrophobicContact CD2-CB 4.41Å; Y274-M278 HydrophobicContact CE2-CB 4.45Å; D275-M278 WeakPolarHBondContact O-CB 3.1Å; D275-M278 PolarHBondContact O-N 3.5Å; D275-M278 PolarHBondContact OD1-N 3.42Å; V276-M278 PolarHBondContact O-N 3.39Å; M278-P280 WeakPolarHBondContact O-CD 3.32Å; M278-P280 VanDerWaalsContact O-N 3.13Å; M278-Y303 HydrophobicContact CB-CE1 4.21Å; M278-Y303 HydrophobicContact CE-CD1 3.6Å; M278-Y303 HydrophobicContact CE-CE1 3.82Å; M278-Y303 PolarHBondContact O-OH 2.98Å; M278-L314 HydrophobicContact CE-CD2 4Å
279A88Confident92.1Very high25 Ų2532.6 Ų32.621%0.20718%0.181CC..  trans-45.9121.3176.100000110.3W224 V276 T277 E281 N305W224-A279 HydrophobicContact CH2-CB 4.49Å; V276-A279 PolarHBondContact O-N 2.79Å; T277-A279 VanDerWaalsContact C-N 3.33Å; A279-E281 PolarHBondContact O-N 3.26Å; A279-E281 VanDerWaalsContact O-N 3.16Å; A279-N305 PolarHBondContact O-ND2 2.88Å; A279-N305 VanDerWaalsContact O-ND2 3.14Å; A279-N305 PolarHBondContact O-OD1 3.49Å
280P92.6Very high92.4Very high1 Ų130.5 Ų30.51%0.00617%0.168CC..  trans-67.1115.7-170.8-23.133.3000112.4R30 E261 L264 I265 M278 A284 Y303 N305R30-P280 PolarHBondContact NH1-O 2.95Å; E261-P280 HydrophobicContact CB-CB 4.39Å; L264-P280 HydrophobicContact CB-CB 4.12Å; L264-P280 HydrophobicContact CB-CG 3.62Å; L264-P280 HydrophobicContact CD2-CB 3.96Å; L264-P280 HydrophobicContact CD2-CG 4.33Å; I265-P280 VanDerWaalsContact CG1-CD 3.49Å; I265-P280 HydrophobicContact CG1-CG 3.87Å; M278-P280 WeakPolarHBondContact O-CD 3.32Å; M278-P280 VanDerWaalsContact O-N 3.13Å; P280-A284 HydrophobicContact CB-CB 3.82Å; P280-Y303 WeakPolarHBondContact CA-OH 3.35Å; P280-N305 WeakPolarHBondContact CA-OD1 3.37Å
281E91.2Very high92.8Very high86 Ų8630.8 Ų30.840%0.40217%0.168SC..  trans-64164.8168.7-71.4-159.3173.800111.2R30 A279 S283 A284 N305R30-E281 VanDerWaalsContact CD-O 3.3Å; R30-E281 WeakPolarHBondContact CD-O 3.43Å; R30-E281 VanDerWaalsContact NH1-C 3.28Å; A279-E281 PolarHBondContact O-N 3.26Å; A279-E281 VanDerWaalsContact O-N 3.16Å; E281-S283 PolarHBondContact O-N 3.13Å; E281-A284 WeakPolarHBondContact O-CB 3.37Å; E281-A284 PolarHBondContact O-N 3.21Å; E281-N305 PolarHBondContact N-OD1 2.92Å
282F91Very high93Very high18 Ų1833.3 Ų33.38%0.07918%0.179CC..THydrogen-bonded Turntrans-56.2136.7172.7-72-62.1000111.6H31 G32 A33 R34 Q84 C220 E221 A284H31-F282 AromaticContact CE1-CE1 3.74Å; H31-F282 AromaticContact ND1-CD1 3.97Å; H31-F282 AromaticContact ND1-CE1 3.89Å; G32-F282 VanDerWaalsContact C-CD1 3.44Å; G32-F282 VanDerWaalsContact O-CD1 3.28Å; G32-F282 WeakPolarHBondContact O-CD1 3.31Å; A33-F282 HydrophobicContact CB-CD2 3.95Å; A33-F282 HydrophobicContact CB-CE2 4.04Å; A33-F282 HydrophobicContact CB-CG 4.21Å; A33-F282 HydrophobicContact CB-CZ 4.37Å; R34-F282 HydrophobicContact CG-CE1 3.98Å; R34-F282 HydrophobicContact CG-CZ 4.17Å; Q84-F282 VanDerWaalsContact OE1-CB 3.27Å; C220-F282 HydrophobicContact CB-CE2 4.16Å; C220-F282 HydrophobicContact CB-CZ 3.94Å; C220-F282 WeakPolarHBondContact O-CZ 3.47Å; E221-F282 HydrophobicContact CG-CD2 4.11Å; E221-F282 HydrophobicContact CG-CE2 3.64Å; E221-F282 HydrophobicContact CG-CZ 4.05Å; E221-F282 WeakPolarHBondContact OE1-CD2 3.36Å; F282-A284 PolarHBondContact O-N 3.21Å
283S94.9Very high93.1Very high0 Ų033.9 Ų33.90%018%0.179CC..THydrogen-bonded Turntrans59.220.3-173.6-45.20000114.6R30 H31 G32 Q84 Q85 E281R30-S283 WeakPolarHBondContact O-CA 3.31Å; H31-S283 PolarHBondContact O-N 3.22Å; H31-S283 VanDerWaalsContact O-N 3.12Å; G32-S283 WeakPolarHBondContact CA-OG 3.48Å; Q84-S283 VanDerWaalsContact CB-OG 3.24Å; Q84-S283 WeakPolarHBondContact CB-OG 3.2Å; Q84-S283 PolarHBondContact OE1-OG 3.37Å; Q85-S283 PolarHBondContact NE2-OG 2.76Å; E281-S283 PolarHBondContact O-N 3.13Å
284A96.8Very high92.9Very high0 Ų040.2 Ų40.20%021%0.212CC..  trans-57.9146.1162.900000110.4W29 R30 L264 P280 E281 F282 Y303 L304W29-A284 CarbonylContact C-O 3.53Å; W29-A284 WeakPolarHBondContact CA-O 3.39Å; W29-A284 WeakPolarHBondContact CB-O 3.3Å; R30-A284 PolarHBondContact N-O 3.45Å; L264-A284 HydrophobicContact CD2-CB 3.84Å; L264-A284 WeakPolarHBondContact CD2-O 3.41Å; P280-A284 HydrophobicContact CB-CB 3.82Å; E281-A284 WeakPolarHBondContact O-CB 3.37Å; E281-A284 PolarHBondContact O-N 3.21Å; F282-A284 PolarHBondContact O-N 3.21Å; A284-Y303 HydrophobicContact CB-CE2 4.31Å; A284-L304 CarbonylContact C-O 3.6Å; A284-L304 WeakPolarHBondContact CA-O 3.33Å
285C98.3Very high92.9Very high0 Ų040.4 Ų40.40%023%0.23CC..EExtended strand (participates in β ladder)trans-141.7129.5-169.7-170.80000110.6V27 I28 W29 L88 Y303 L304V27-C285 VanDerWaalsContact CG1-SG 3.55Å; I28-C285 CarbonylContact O-C 3.43Å; I28-C285 WeakPolarHBondContact O-CA 3.14Å; W29-C285 HydrophobicContact CB-CB 4.28Å; L88-C285 HydrophobicContact CD1-CB 3.96Å; L88-C285 HydrophobicContact CD2-CB 4.29Å; C285-Y303 WeakPolarHBondContact O-CD2 3.3Å; C285-L304 HydrophobicContact CB-CB 4.32Å; C285-L304 PolarHBondContact N-O 3.29Å; C285-L304 PolarHBondContact O-N 3.1Å
286L98.1Very high93.2Very high1 Ų140.1 Ų40.11%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-107.8132.1171.1-165.572000108.6V27 I28 L267 L268 L271 F288 T301 W302 Y303 L314V27-L286 WeakPolarHBondContact CA-O 3.13Å; I28-L286 PolarHBondContact N-O 3.09Å; I28-L286 PolarHBondContact O-N 2.63Å; L267-L286 HydrophobicContact CB-CD2 3.97Å; L267-L286 HydrophobicContact CD1-CD2 3.96Å; L268-L286 HydrophobicContact CD2-CD1 3.99Å; L271-L286 HydrophobicContact CD1-CD2 4.27Å; L286-F288 HydrophobicContact CD2-CE2 3.59Å; L286-F288 HydrophobicContact CD2-CZ 3.57Å; L286-F288 HydrophobicContact CG-CE2 3.99Å; L286-F288 HydrophobicContact CG-CZ 4.21Å; L286-T301 HydrophobicContact CD1-CG2 4.09Å; L286-T301 HydrophobicContact CG-CG2 4.45Å; L286-W302 CarbonylContact C-O 3.49Å; L286-W302 WeakPolarHBondContact CA-O 3.42Å; L286-W302 WeakPolarHBondContact CD1-O 3.24Å; L286-Y303 HydrophobicContact CD1-CD2 3.91Å; L286-Y303 HydrophobicContact CD1-CG 4.26Å; L286-L314 HydrophobicContact CD1-CD1 3.88Å
287M98.3Very high94Very high5 Ų537 Ų373%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-122.5130.7-177.6-66.6148.8-7500109.4H26 V27 L92 T301 W302 L304H26-M287 CarbonylContact O-C 3.6Å; H26-M287 VanDerWaalsContact O-CA 3.29Å; H26-M287 WeakPolarHBondContact O-CA 3.4Å; V27-M287 HydrophobicContact CG1-CB 4.39Å; V27-M287 HydrophobicContact CG1-CG 3.38Å; L92-M287 HydrophobicContact CD2-SD 4.2Å; M287-T301 CarbonylContact O-C 3.58Å; M287-T301 WeakPolarHBondContact O-CA 3.26Å; M287-W302 HydrophobicContact CB-CB 4.14Å; M287-W302 HydrophobicContact CE-CB 3.79Å; M287-W302 PolarHBondContact N-O 2.98Å; M287-W302 PolarHBondContact O-N 3.25Å; M287-L304 HydrophobicContact CE-CB 4.13Å
288F98.2Very high94.5Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-113.4118.9168-57.7-95.3000108.5V25 H26 I28 L233 I236 L240 L271 L286 E300 T301 F328V25-F288 CarbonylContact C-O 3.54Å; V25-F288 WeakPolarHBondContact CA-O 3.36Å; H26-F288 HydrophobicContact CB-CB 4.27Å; H26-F288 HydrophobicContact CB-CD2 4.4Å; H26-F288 PolarHBondContact N-O 3.07Å; H26-F288 PolarHBondContact O-N 2.91Å; I28-F288 HydrophobicContact CD1-CD2 3.74Å; I28-F288 HydrophobicContact CD1-CE2 3.72Å; L233-F288 HydrophobicContact CD1-CE1 4.28Å; L233-F288 HydrophobicContact CD1-CZ 4.29Å; I236-F288 HydrophobicContact CD1-CD2 4Å; I236-F288 HydrophobicContact CD1-CE2 3.76Å; I236-F288 HydrophobicContact CD1-CZ 4.47Å; I236-F288 HydrophobicContact CG2-CB 4.19Å; I236-F288 HydrophobicContact CG2-CD1 4.47Å; I236-F288 HydrophobicContact CG2-CD2 4.11Å; I236-F288 HydrophobicContact CG2-CG 4.02Å; L240-F288 HydrophobicContact CD1-CB 4.4Å; L271-F288 HydrophobicContact CD1-CE1 3.94Å; L271-F288 HydrophobicContact CD1-CZ 3.88Å; L271-F288 HydrophobicContact CD2-CE1 4.3Å; L286-F288 HydrophobicContact CD2-CE2 3.59Å; L286-F288 HydrophobicContact CD2-CZ 3.57Å; L286-F288 HydrophobicContact CG-CE2 3.99Å; L286-F288 HydrophobicContact CG-CZ 4.21Å; F288-E300 WeakPolarHBondContact CA-O 3.42Å; F288-T301 HydrophobicContact CD1-CG2 3.9Å; F288-T301 WeakPolarHBondContact CD1-OG1 3.36Å; F288-T301 HydrophobicContact CE1-CG2 3.65Å; F288-T301 HydrophobicContact CZ-CG2 4.24Å; F288-F328 HydrophobicContact CD1-CE2 4.02Å; F288-F328 AromaticContact CD1-CZ 3.59Å; F288-F328 HydrophobicContact CD1-CZ 3.59Å; F288-F328 HydrophobicContact CE1-CE2 4Å; F288-F328 AromaticContact CE1-CZ 3.61Å; F288-F328 HydrophobicContact CE1-CZ 3.61Å
289E97.7Very high94.9Very high0 Ų033.1 Ų33.10%018%0.18CC..EExtended strand (participates in β ladder)trans-116.6123-173-68.4174.8176.200109.6L22 V25 R95 Y96 Y291 V299 E300 W302L22-E289 HydrophobicContact CD1-CB 3.8Å; L22-E289 HydrophobicContact CD1-CG 4.28Å; V25-E289 HydrophobicContact CB-CG 4.43Å; V25-E289 HydrophobicContact CG2-CG 3.9Å; R95-E289 IonicContact CZ-OE1 2.73Å; R95-E289 IonicContact CZ-OE2 3.35Å; R95-E289 IonicContact NE-OE1 3.67Å; R95-E289 PolarHBondContact NE-OE1 2.87Å; R95-E289 IonicContact NH2-OE1 3.93Å; R95-E289 PolarHBondContact NH2-OE1 3.25Å; R95-E289 IonicContact NH2-OE2 2.82Å; R95-E289 PolarHBondContact NH2-OE2 3.49Å; Y96-E289 HydrophobicContact CE1-CG 4.46Å; Y96-E289 VanDerWaalsContact CE1-OE1 3.25Å; Y96-E289 WeakPolarHBondContact CE1-OE1 3.48Å; Y96-E289 PolarHBondContact OH-OE1 2.83Å; E289-Y291 HydrophobicContact CB-CD2 4.21Å; E289-Y291 HydrophobicContact CB-CE2 3.46Å; E289-Y291 VanDerWaalsContact CB-CE2 3.46Å; E289-Y291 PolarHBondContact OE2-OH 3.48Å; E289-V299 CarbonylContact O-C 3.53Å; E289-V299 VanDerWaalsContact O-CA 3.32Å; E289-V299 WeakPolarHBondContact O-CA 3.22Å; E289-E300 HydrophobicContact CB-CB 4.44Å; E289-E300 PolarHBondContact N-O 3.23Å; E289-E300 PolarHBondContact O-N 3.01Å; E289-W302 PolarHBondContact OE2-NE1 3.42Å
290L98Very high95.3Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-98.8113.2177.6-172.973.8000110.3R23 I24 L240 K243 A244 Y297 Y298 V299 V325R23-L290 HydrophobicContact CB-CD2 4.32Å; R23-L290 PolarHBondContact N-O 2.7Å; I24-L290 HydrophobicContact CG2-CB 3.69Å; I24-L290 HydrophobicContact CG2-CD2 3.84Å; I24-L290 HydrophobicContact CG2-CG 4.43Å; I24-L290 PolarHBondContact O-N 3.16Å; L240-L290 HydrophobicContact CB-CD1 4.42Å; L240-L290 HydrophobicContact CD2-CB 4.01Å; L240-L290 WeakPolarHBondContact O-CD2 3.37Å; K243-L290 HydrophobicContact CB-CD2 3.86Å; K243-L290 HydrophobicContact CG-CD2 4Å; A244-L290 HydrophobicContact CB-CD2 4.49Å; L290-Y297 HydrophobicContact CD1-CD1 4.46Å; L290-Y297 HydrophobicContact CD2-CD1 4.03Å; L290-Y297 HydrophobicContact CG-CD1 4.11Å; L290-Y298 CarbonylContact C-O 3.54Å; L290-Y298 WeakPolarHBondContact CA-O 3.4Å; L290-V299 HydrophobicContact CD1-CG2 3.88Å; L290-V325 HydrophobicContact CD1-CB 3.97Å; L290-V325 HydrophobicContact CD1-CG2 3.72Å
291Y96.7Very high95.5Very high24 Ų2434.9 Ų34.99%0.09418%0.184CC..EExtended strand (participates in β ladder)trans-99.7149175.1-64.8-87.3000110.8V18 N21 L22 E289 Y297 Y298 E300V18-Y291 HydrophobicContact CG1-CE1 3.8Å; V18-Y291 WeakPolarHBondContact O-CE1 3.42Å; N21-Y291 HydrophobicContact CB-CD1 4.33Å; N21-Y291 CarbonylContact O-C 3.51Å; N21-Y291 WeakPolarHBondContact O-CA 3.47Å; L22-Y291 HydrophobicContact CB-CD1 4.21Å; L22-Y291 HydrophobicContact CB-CE1 3.98Å; L22-Y291 HydrophobicContact CD1-CD1 4.3Å; L22-Y291 HydrophobicContact CD1-CE1 3.96Å; L22-Y291 HydrophobicContact CD1-CE2 4.23Å; L22-Y291 HydrophobicContact CG-CE1 4.49Å; E289-Y291 HydrophobicContact CB-CD2 4.21Å; E289-Y291 HydrophobicContact CB-CE2 3.46Å; E289-Y291 VanDerWaalsContact CB-CE2 3.46Å; E289-Y291 PolarHBondContact OE2-OH 3.48Å; Y291-Y297 CarbonylContact O-C 3.52Å; Y291-Y297 WeakPolarHBondContact O-CA 3.37Å; Y291-Y298 PolarHBondContact N-O 3.15Å; Y291-Y298 PolarHBondContact O-N 2.85Å; Y291-E300 HydrophobicContact CD2-CB 4.45Å; Y291-E300 HydrophobicContact CD2-CG 3.93Å; Y291-E300 HydrophobicContact CE2-CB 4.01Å; Y291-E300 HydrophobicContact CE2-CG 3.76Å; Y291-E300 WeakPolarHBondContact CE2-OE2 3.21Å
292Q95Very high95.8Very high55 Ų5533.3 Ų33.326%0.25717%0.174SC..EExtended strand (participates in β ladder)trans-117.1120.6171.1-175.4-175.612.100109.8N21 R23 T296 Y297N21-Q292 WeakPolarHBondContact CB-O 3.34Å; N21-Q292 PolarHBondContact O-N 3.49Å; N21-Q292 PolarHBondContact OD1-O 3.47Å; R23-Q292 HydrophobicContact CG-CB 3.77Å; Q292-T296 CarbonylContact C-O 3.54Å; Q292-T296 WeakPolarHBondContact CA-O 2.93Å; Q292-Y297 HydrophobicContact CB-CD1 3.86Å; Q292-Y297 HydrophobicContact CB-CE1 3.73Å; Q292-Y297 HydrophobicContact CG-CD1 4.13Å; Q292-Y297 HydrophobicContact CG-CE1 3.77Å; Q292-Y297 HydrophobicContact CG-CE2 4.4Å; Q292-Y297 PolarHBondContact NE2-OH 3.5Å
293E91.8Very high96.2Very high104 Ų10432.8 Ų32.849%0.48617%0.172SC..EExtended strand (participates in β ladder)trans-134.7125.6176.5-173.9174.2-157.300109.7G295 T296 Y298E293-G295 PolarHBondContact O-N 2.71Å; E293-G295 VanDerWaalsContact O-N 3.1Å; E293-T296 PolarHBondContact N-O 2.87Å; E293-T296 PolarHBondContact O-N 2.8Å; E293-Y298 HydrophobicContact CB-CD2 4.39Å; E293-Y298 HydrophobicContact CB-CE2 4.08Å
294N90.2Very high96.3Very high160 Ų16033.6 Ų33.686%0.85618%0.176SC*.THydrogen-bonded Turntrans49.837.9-179.5-60.3-39.1000114.2T296N294-T296 PolarHBondContact O-N 3.08Å
295G90.1Very high96.2Very high56 Ų5635 Ų3558%0.57718%0.184SC*.THydrogen-bonded Turntrans79.1-2.7-179.200000115.2E293E293-G295 PolarHBondContact O-N 2.71Å; E293-G295 VanDerWaalsContact O-N 3.1Å
296T94.2Very high95.8Very high62 Ų6235 Ų3538%0.3818%0.184SC..EExtended strand (participates in β ladder)trans-99.3149173.8-52.70000109.7Q292 E293 N294 Y298Q292-T296 CarbonylContact C-O 3.54Å; Q292-T296 WeakPolarHBondContact CA-O 2.93Å; E293-T296 PolarHBondContact N-O 2.87Å; E293-T296 PolarHBondContact O-N 2.8Å; N294-T296 PolarHBondContact O-N 3.08Å; T296-Y298 HydrophobicContact CG2-CE1 3.86Å; T296-Y298 HydrophobicContact CG2-CE2 3.87Å; T296-Y298 VanDerWaalsContact CG2-CZ 3.45Å; T296-Y298 WeakPolarHBondContact CG2-OH 2.92Å
297Y97.3Very high95.4Very high39 Ų3936.7 Ų36.715%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-114134.4-179.3-67-95.2000110.8R23 A244 L290 Y291 Q292 D324 V325R23-Y297 HydrophobicContact CG-CD1 4.43Å; R23-Y297 HydrophobicContact CG-CE1 4.04Å; A244-Y297 HydrophobicContact CB-CD1 3.9Å; A244-Y297 HydrophobicContact CB-CD2 3.6Å; A244-Y297 HydrophobicContact CB-CE1 4.2Å; A244-Y297 HydrophobicContact CB-CE2 3.92Å; A244-Y297 HydrophobicContact CB-CG 3.57Å; A244-Y297 WeakPolarHBondContact O-CE2 3.49Å; A244-Y297 PolarHBondContact O-OH 3.01Å; L290-Y297 HydrophobicContact CD1-CD1 4.46Å; L290-Y297 HydrophobicContact CD2-CD1 4.03Å; L290-Y297 HydrophobicContact CG-CD1 4.11Å; Y291-Y297 CarbonylContact O-C 3.52Å; Y291-Y297 WeakPolarHBondContact O-CA 3.37Å; Q292-Y297 HydrophobicContact CB-CD1 3.86Å; Q292-Y297 HydrophobicContact CB-CE1 3.73Å; Q292-Y297 HydrophobicContact CG-CD1 4.13Å; Q292-Y297 HydrophobicContact CG-CE1 3.77Å; Q292-Y297 HydrophobicContact CG-CE2 4.4Å; Q292-Y297 PolarHBondContact NE2-OH 3.5Å; Y297-D324 WeakPolarHBondContact O-CA 3.03Å; Y297-V325 PolarHBondContact O-N 2.94Å
298Y96.9Very high94.9Very high53 Ų5344.6 Ų44.621%0.20823%0.227CC..EExtended strand (participates in β ladder)trans-126.8145.1-177.2-54.9-80.5000110.7L290 Y291 E293 T296 P322 C323 D324L290-Y298 CarbonylContact C-O 3.54Å; L290-Y298 WeakPolarHBondContact CA-O 3.4Å; Y291-Y298 PolarHBondContact N-O 3.15Å; Y291-Y298 PolarHBondContact O-N 2.85Å; E293-Y298 HydrophobicContact CB-CD2 4.39Å; E293-Y298 HydrophobicContact CB-CE2 4.08Å; T296-Y298 HydrophobicContact CG2-CE1 3.86Å; T296-Y298 HydrophobicContact CG2-CE2 3.87Å; T296-Y298 VanDerWaalsContact CG2-CZ 3.45Å; T296-Y298 WeakPolarHBondContact CG2-OH 2.92Å; Y298-P322 HydrophobicContact CD1-CB 3.62Å; Y298-P322 HydrophobicContact CD1-CG 3.91Å; Y298-P322 HydrophobicContact CE1-CB 4.07Å; Y298-P322 HydrophobicContact CE1-CG 3.81Å; Y298-P322 HydrophobicContact CG-CB 4.03Å; Y298-C323 CarbonylContact C-O 2.89Å; Y298-C323 WeakPolarHBondContact CA-O 3.37Å; Y298-D324 HydrophobicContact CD1-CB 4.31Å; Y298-D324 HydrophobicContact CE1-CB 4.42Å
299V97.5Very high94.5Very high6 Ų646.5 Ų46.54%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-109121.8178.4-174.80000108.7L240 E289 L290 C323 V325 F328L240-V299 HydrophobicContact CD1-CG1 3.85Å; L240-V299 HydrophobicContact CD1-CG2 3.81Å; E289-V299 CarbonylContact O-C 3.53Å; E289-V299 VanDerWaalsContact O-CA 3.32Å; E289-V299 WeakPolarHBondContact O-CA 3.22Å; L290-V299 HydrophobicContact CD1-CG2 3.88Å; V299-C323 PolarHBondContact N-O 3.19Å; V299-C323 WeakPolarHBondContact O-CB 3.09Å; V299-V325 HydrophobicContact CG2-CB 4.09Å; V299-V325 HydrophobicContact CG2-CG2 3.98Å; V299-F328 HydrophobicContact CB-CB 4.38Å; V299-F328 HydrophobicContact CB-CD2 4.22Å; V299-F328 HydrophobicContact CB-CG 4.18Å; V299-F328 HydrophobicContact CG1-CD1 4.45Å; V299-F328 HydrophobicContact CG1-CD2 3.98Å; V299-F328 HydrophobicContact CG1-CE2 4.05Å; V299-F328 HydrophobicContact CG1-CG 4.19Å; V299-F328 HydrophobicContact CG1-CZ 4.32Å; V299-F328 HydrophobicContact CG2-CB 4.06Å; V299-F328 HydrophobicContact CG2-CD1 4.25Å; V299-F328 HydrophobicContact CG2-CG 4.04Å
300E96.7Very high94.3Very high61 Ų6154.8 Ų54.829%0.28528%0.281SS..EExtended strand (participates in β ladder)trans-100.2136.5164.2-62.5-173.8169.700109.4F288 E289 Y291 W302 M313F288-E300 WeakPolarHBondContact CA-O 3.42Å; E289-E300 HydrophobicContact CB-CB 4.44Å; E289-E300 PolarHBondContact N-O 3.23Å; E289-E300 PolarHBondContact O-N 3.01Å; Y291-E300 HydrophobicContact CD2-CB 4.45Å; Y291-E300 HydrophobicContact CD2-CG 3.93Å; Y291-E300 HydrophobicContact CE2-CB 4.01Å; Y291-E300 HydrophobicContact CE2-CG 3.76Å; Y291-E300 WeakPolarHBondContact CE2-OE2 3.21Å; E300-W302 WeakPolarHBondContact OE2-CZ2 3.34Å; E300-W302 PolarHBondContact OE2-NE1 3.01Å; E300-M313 HydrophobicContact CG-SD 4.29Å
301T97.5Very high94.2Very high3 Ų356.9 Ų56.92%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-113.9118.9175.4-55.10000108.9L271 L286 M287 F288 M313 L314L271-T301 HydrophobicContact CD1-CG2 4.2Å; L286-T301 HydrophobicContact CD1-CG2 4.09Å; L286-T301 HydrophobicContact CG-CG2 4.45Å; M287-T301 CarbonylContact O-C 3.58Å; M287-T301 WeakPolarHBondContact O-CA 3.26Å; F288-T301 HydrophobicContact CD1-CG2 3.9Å; F288-T301 WeakPolarHBondContact CD1-OG1 3.36Å; F288-T301 HydrophobicContact CE1-CG2 3.65Å; F288-T301 HydrophobicContact CZ-CG2 4.24Å; T301-M313 CarbonylContact O-C 3.46Å; T301-M313 WeakPolarHBondContact O-CA 3.2Å; T301-L314 HydrophobicContact CG2-CB 4.41Å; T301-L314 HydrophobicContact CG2-CD1 3.92Å; T301-L314 HydrophobicContact CG2-CG 4.41Å; T301-L314 PolarHBondContact O-N 3.14Å
302W97.6Very high94.2Very high53 Ų5359.3 Ų59.320%0.20131%0.313CS..EExtended strand (participates in β ladder)trans-116.2141-178-64.285000110.9L286 M287 E289 E300 V312 M313L286-W302 CarbonylContact C-O 3.49Å; L286-W302 WeakPolarHBondContact CA-O 3.42Å; L286-W302 WeakPolarHBondContact CD1-O 3.24Å; M287-W302 HydrophobicContact CB-CB 4.14Å; M287-W302 HydrophobicContact CE-CB 3.79Å; M287-W302 PolarHBondContact N-O 2.98Å; M287-W302 PolarHBondContact O-N 3.25Å; E289-W302 PolarHBondContact OE2-NE1 3.42Å; E300-W302 WeakPolarHBondContact OE2-CZ2 3.34Å; E300-W302 PolarHBondContact OE2-NE1 3.01Å; W302-V312 CarbonylContact C-O 3.57Å; W302-V312 VanDerWaalsContact CA-O 3.31Å; W302-V312 WeakPolarHBondContact CA-O 3.26Å; W302-V312 VanDerWaalsContact CE3-C 3.49Å; W302-M313 HydrophobicContact CD2-CB 4.02Å; W302-M313 HydrophobicContact CD2-CG 4.37Å; W302-M313 HydrophobicContact CE3-CB 3.87Å; W302-M313 HydrophobicContact CH2-CB 3.93Å; W302-M313 HydrophobicContact CZ2-CB 4.07Å; W302-M313 HydrophobicContact CZ2-CG 4.29Å; W302-M313 HydrophobicContact CZ2-SD 4.24Å; W302-M313 HydrophobicContact CZ3-CB 3.84Å
303Y97.7Very high94.2Very high6 Ų660 Ų602%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-124.6125177-174.6-133.7000111.2L264 L268 M278 P280 A284 C285 L286 N305 S311 V312L264-Y303 HydrophobicContact CD2-CE2 4.3Å; L268-Y303 HydrophobicContact CD1-CE1 4.25Å; L268-Y303 HydrophobicContact CD1-CE2 4.23Å; M278-Y303 HydrophobicContact CB-CE1 4.21Å; M278-Y303 HydrophobicContact CE-CD1 3.6Å; M278-Y303 HydrophobicContact CE-CE1 3.82Å; M278-Y303 PolarHBondContact O-OH 2.98Å; P280-Y303 WeakPolarHBondContact CA-OH 3.35Å; A284-Y303 HydrophobicContact CB-CE2 4.31Å; C285-Y303 WeakPolarHBondContact O-CD2 3.3Å; L286-Y303 HydrophobicContact CD1-CD2 3.91Å; L286-Y303 HydrophobicContact CD1-CG 4.26Å; Y303-N305 HydrophobicContact CD1-CB 4.28Å; Y303-N305 HydrophobicContact CE1-CB 3.63Å; Y303-N305 PolarHBondContact OH-OD1 3.35Å; Y303-S311 WeakPolarHBondContact O-CA 3.28Å; Y303-V312 PolarHBondContact N-O 3.12Å; Y303-V312 WeakPolarHBondContact O-CG2 2.98Å; Y303-V312 PolarHBondContact O-N 2.99Å
304L97.1Very high94.4Very high17 Ų1756 Ų569%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-110.8104.8170.7174.866.5000107.9L88 L91 A284 C285 M287 G306 A309L88-L304 HydrophobicContact CD1-CD2 3.95Å; L91-L304 HydrophobicContact CD1-CD2 4.43Å; A284-L304 CarbonylContact C-O 3.6Å; A284-L304 WeakPolarHBondContact CA-O 3.33Å; C285-L304 HydrophobicContact CB-CB 4.32Å; C285-L304 PolarHBondContact N-O 3.29Å; C285-L304 PolarHBondContact O-N 3.1Å; M287-L304 HydrophobicContact CE-CB 4.13Å; L304-G306 VanDerWaalsContact C-N 3.33Å; L304-G306 WeakPolarHBondContact CD1-O 3.37Å; L304-G306 PolarHBondContact O-N 2.82Å; L304-G306 VanDerWaalsContact O-N 3.07Å; L304-A309 VanDerWaalsContact CD1-O 3.22Å; L304-A309 WeakPolarHBondContact CD1-O 3.42Å
305N95.1Very high94.6Very high30 Ų3053.8 Ų53.816%0.1629%0.287CS..  trans-86.471.9-179.7-16511.2000112A279 P280 E281 Y303 A309A279-N305 PolarHBondContact O-ND2 2.88Å; A279-N305 VanDerWaalsContact O-ND2 3.14Å; A279-N305 PolarHBondContact O-OD1 3.49Å; P280-N305 WeakPolarHBondContact CA-OD1 3.37Å; E281-N305 PolarHBondContact N-OD1 2.92Å; Y303-N305 HydrophobicContact CD1-CB 4.28Å; Y303-N305 HydrophobicContact CE1-CB 3.63Å; Y303-N305 PolarHBondContact OH-OD1 3.35Å; N305-A309 HydrophobicContact CB-CB 4.41Å; N305-A309 WeakPolarHBondContact O-CB 3.38Å
306G90.8Very high94.9Very high0 Ų051.8 Ų51.80%026%0.263CS..SBendtrans83.5168.8-177.400000113.3L304 K308 A309L304-G306 VanDerWaalsContact C-N 3.33Å; L304-G306 WeakPolarHBondContact CD1-O 3.37Å; L304-G306 PolarHBondContact O-N 2.82Å; L304-G306 VanDerWaalsContact O-N 3.07Å; G306-K308 PolarHBondContact O-N 3.28Å; G306-A309 PolarHBondContact O-N 3.47Å
307L90.3Very high94.8Very high37 Ų3752 Ų5219%0.19427%0.266CS..THydrogen-bonded Turntrans-77.4-5.8-166.9-61.2170.8000114.6Q84 L87 L88 L91Q84-L307 VanDerWaalsContact CA-CD1 3.41Å; Q84-L307 HydrophobicContact CB-CD1 3.59Å; Q84-L307 HydrophobicContact CG-CD1 3.92Å; Q84-L307 WeakPolarHBondContact O-CD1 3.46Å; L87-L307 HydrophobicContact CB-CD1 4.19Å; L87-L307 HydrophobicContact CD2-CB 4.47Å; L87-L307 HydrophobicContact CD2-CD1 4.08Å; L87-L307 HydrophobicContact CG-CD1 4.36Å; L87-L307 HydrophobicContact CG-CD2 4.33Å; L88-L307 HydrophobicContact CB-CD2 4.09Å; L91-L307 HydrophobicContact CD1-CD2 3.79Å
308K86.2Confident94.5Very high170 Ų17053.2 Ų53.274%0.73929%0.29SS*.THydrogen-bonded Turntrans-98.4-15.7176.6-64.8179.5-177.9173.40112.5G306G306-K308 PolarHBondContact O-N 3.28Å
309A90.9Very high94.4Very high41 Ų4151 Ų5134%0.33928%0.282SS..SBendtrans-83.7157.4178.900000110.8L304 N305 G306L304-A309 VanDerWaalsContact CD1-O 3.22Å; L304-A309 WeakPolarHBondContact CD1-O 3.42Å; N305-A309 HydrophobicContact CB-CB 4.41Å; N305-A309 WeakPolarHBondContact O-CB 3.38Å; G306-A309 PolarHBondContact O-N 3.47Å
310E93.6Very high94.1Very high174 Ų17455.3 Ų55.381%0.81331%0.31SS*.PPolyproline II helixtrans-81.3148.7163.6-65.5-174.2166.500109.7V312E310-V312 PolarHBondContact O-N 3.45Å
311S95.3Very high93.9Very high43 Ų4356.6 Ų56.630%0.30132%0.322SS..PPolyproline II helixtrans-74.4123.8173.5-177.70000109.4Y303Y303-S311 WeakPolarHBondContact O-CA 3.28Å
312V96.3Very high93.6Very high76 Ų7660.5 Ų60.546%0.46135%0.348SS..EExtended strand (participates in β ladder)trans-111.3140.4-178.8-63.50000111.1W302 Y303 E310 L314W302-V312 CarbonylContact C-O 3.57Å; W302-V312 VanDerWaalsContact CA-O 3.31Å; W302-V312 WeakPolarHBondContact CA-O 3.26Å; W302-V312 VanDerWaalsContact CE3-C 3.49Å; Y303-V312 PolarHBondContact N-O 3.12Å; Y303-V312 WeakPolarHBondContact O-CG2 2.98Å; Y303-V312 PolarHBondContact O-N 2.99Å; E310-V312 PolarHBondContact O-N 3.45Å; V312-L314 HydrophobicContact CG2-CD2 4.26Å
313M96.4Very high93.5Very high69 Ų6958.4 Ų58.434%0.3434%0.341SS..EExtended strand (participates in β ladder)trans-79.9126.6170.7-168.3178.673.100109E300 T301 W302 T321E300-M313 HydrophobicContact CG-SD 4.29Å; T301-M313 CarbonylContact O-C 3.46Å; T301-M313 WeakPolarHBondContact O-CA 3.2Å; W302-M313 HydrophobicContact CD2-CB 4.02Å; W302-M313 HydrophobicContact CD2-CG 4.37Å; W302-M313 HydrophobicContact CE3-CB 3.87Å; W302-M313 HydrophobicContact CH2-CB 3.93Å; W302-M313 HydrophobicContact CZ2-CB 4.07Å; W302-M313 HydrophobicContact CZ2-CG 4.29Å; W302-M313 HydrophobicContact CZ2-SD 4.24Å; W302-M313 HydrophobicContact CZ3-CB 3.84Å; M313-T321 HydrophobicContact CE-CG2 3.91Å
314L95.9Very high93.5Very high19 Ų1960.3 Ų60.310%0.09935%0.352CS..  trans-81.7134.6179.8-58.3-174.5000110.6L268 V273 M278 L286 T301 V312 L316L268-L314 HydrophobicContact CD2-CD1 3.7Å; V273-L314 HydrophobicContact CG2-CD1 4.06Å; M278-L314 HydrophobicContact CE-CD2 4Å; L286-L314 HydrophobicContact CD1-CD1 3.88Å; T301-L314 HydrophobicContact CG2-CB 4.41Å; T301-L314 HydrophobicContact CG2-CD1 3.92Å; T301-L314 HydrophobicContact CG2-CG 4.41Å; T301-L314 PolarHBondContact O-N 3.14Å; V312-L314 HydrophobicContact CG2-CD2 4.26Å; L314-L316 HydrophobicContact CB-CD2 4.22Å
315N94.5Very high93.5Very high115 Ų11559.9 Ų59.962%0.61535%0.35SS*.  trans-88.5110.7169-68.1-44.4000108.6V273 P317V273-N315 WeakPolarHBondContact CG1-O 3.43Å; N315-P317 WeakPolarHBondContact O-CD 3.27Å
316L95.1Very high93.6Very high14 Ų1464.9 Ų64.97%0.07337%0.37CS..  trans-85.7119.9-176.1-57.9-176.1000111L271 V273 L314 G318 C319 F328 M331L271-L316 HydrophobicContact CB-CD2 4.13Å; L271-L316 HydrophobicContact CD1-CD2 4.35Å; L271-L316 HydrophobicContact CD2-CD1 4.2Å; L271-L316 HydrophobicContact CD2-CD2 4.03Å; L271-L316 HydrophobicContact CG-CD2 4.41Å; V273-L316 HydrophobicContact CG1-CD2 4.15Å; L314-L316 HydrophobicContact CB-CD2 4.22Å; L316-G318 PolarHBondContact O-N 2.73Å; L316-C319 HydrophobicContact CB-CB 3.98Å; L316-C319 PolarHBondContact O-N 3.29Å; L316-F328 HydrophobicContact CD1-CD2 3.82Å; L316-F328 HydrophobicContact CD1-CE2 3.73Å; L316-M331 HydrophobicContact CB-CE 4.22Å
317P93.1Very high93.8Very high67 Ų6766.5 Ų66.544%0.43538%0.38SS..THydrogen-bonded Turntrans-57.9124.6173.6-23.434.1000110.8D272 V273 N315 M331D272-P317 HydrophobicContact CB-CG 4.26Å; V273-P317 HydrophobicContact CG1-CG 4.37Å; N315-P317 WeakPolarHBondContact O-CD 3.27Å; P317-M331 WeakPolarHBondContact O-CE 3.22Å
318G90.8Very high94.1Very high64 Ų6464.9 Ų64.966%0.6637%0.371SS*.THydrogen-bonded Turntrans87.9-5.2-177.200000115.3L316 T327L316-G318 PolarHBondContact O-N 2.73Å; G318-T327 WeakPolarHBondContact O-CG2 3.24Å
319C94Very high94.6Very high5 Ų557.8 Ų57.83%0.03434%0.344CS..  trans-119102.1168.6-142.80000111.2L316 C323 T327 M331L316-C319 HydrophobicContact CB-CB 3.98Å; L316-C319 PolarHBondContact O-N 3.29Å; C319-C323 HydrophobicContact CB-CB 3.78Å; C319-C323 WeakPolarHBondContact CB-SG 3.36Å; C319-C323 VanDerWaalsContact SG-CA 3.52Å; C319-C323 WeakPolarHBondContact SG-CB 3.27Å; C319-C323 CovalentContact SG-SG 2.01Å; C319-C323 PolarHBondContact SG-SG 3.37Å; C319-T327 HydrophobicContact CB-CG2 4.4Å; C319-M331 HydrophobicContact CB-SD 3.53Å; C319-M331 VanDerWaalsContact CB-SD 3.53Å; C319-M331 PolarHBondContact N-SD 2.9Å
320P92Very high94.7Very high98 Ų9862.6 Ų62.664%0.63636%0.36SS*.PPolyproline II helixtrans-60.6143.8177-20.532000111.5P322 C323P320-P322 CarbonylContact O-C 3.54Å; P320-C323 WeakPolarHBondContact O-CA 3.44Å; P320-C323 PolarHBondContact O-N 2.88Å
321T91.5Very high94.7Very high88 Ų8856 Ų5654%0.5433%0.329SS..SBendtrans-84.8125.7174.7-53.20000110.4M313M313-T321 HydrophobicContact CE-CG2 3.91Å
322P91.9Very high94.5Very high84 Ų8454 Ų5455%0.54532%0.316SS..SBendcis-75.5132.60.332.1-35.5000112.7Y298 P320 D324Y298-P322 HydrophobicContact CD1-CB 3.62Å; Y298-P322 HydrophobicContact CD1-CG 3.91Å; Y298-P322 HydrophobicContact CE1-CB 4.07Å; Y298-P322 HydrophobicContact CE1-CG 3.81Å; Y298-P322 HydrophobicContact CG-CB 4.03Å; P320-P322 CarbonylContact O-C 3.54Å; P322-D324 PolarHBondContact O-N 2.95Å
323C96Very high94.1Very high9 Ų954.2 Ų54.26%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-78.7107.6-173.2169.80000110.1Y298 V299 C319 P320Y298-C323 CarbonylContact C-O 2.89Å; Y298-C323 WeakPolarHBondContact CA-O 3.37Å; V299-C323 PolarHBondContact N-O 3.19Å; V299-C323 WeakPolarHBondContact O-CB 3.09Å; C319-C323 HydrophobicContact CB-CB 3.78Å; C319-C323 WeakPolarHBondContact CB-SG 3.36Å; C319-C323 VanDerWaalsContact SG-CA 3.52Å; C319-C323 WeakPolarHBondContact SG-CB 3.27Å; C319-C323 CovalentContact SG-SG 2.01Å; C319-C323 PolarHBondContact SG-SG 3.37Å; P320-C323 WeakPolarHBondContact O-CA 3.44Å; P320-C323 PolarHBondContact O-N 2.88Å
324D96.1Very high93.2Very high47 Ų4754 Ų5425%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-68.3145.8179.279.387000111.3Y297 Y298 P322 K326 T327 F328Y297-D324 WeakPolarHBondContact O-CA 3.03Å; Y298-D324 HydrophobicContact CD1-CB 4.31Å; Y298-D324 HydrophobicContact CE1-CB 4.42Å; P322-D324 PolarHBondContact O-N 2.95Å; D324-K326 PolarHBondContact O-N 2.83Å; D324-K326 VanDerWaalsContact O-N 3.13Å; D324-K326 WeakPolarHBondContact OD1-CA 2.97Å; D324-K326 VanDerWaalsContact OD1-CB 3.31Å; D324-K326 WeakPolarHBondContact OD1-CB 3.48Å; D324-K326 PolarHBondContact OD1-N 3.25Å; D324-T327 VanDerWaalsContact CG-OG1 3.28Å; D324-T327 PolarHBondContact O-N 3.07Å; D324-T327 PolarHBondContact OD1-N 3.23Å; D324-T327 PolarHBondContact OD1-OG1 3.3Å; D324-T327 WeakPolarHBondContact OD2-CB 3.29Å; D324-T327 PolarHBondContact OD2-OG1 2.84Å; D324-F328 PolarHBondContact O-N 3.47Å
325V97.4Very high92.6Very high8 Ų856.3 Ų56.35%0.04834%0.343CS..Hα-helixtrans-61.1-26.9-173.8710000113.4L240 M241 A244 L290 Y297 V299 A329L240-V325 HydrophobicContact CB-CG2 4Å; M241-V325 HydrophobicContact CG-CG2 4.2Å; M241-V325 HydrophobicContact SD-CB 4.38Å; M241-V325 HydrophobicContact SD-CG1 3.85Å; M241-V325 HydrophobicContact SD-CG2 3.93Å; A244-V325 HydrophobicContact CB-CG1 4.02Å; L290-V325 HydrophobicContact CD1-CB 3.97Å; L290-V325 HydrophobicContact CD1-CG2 3.72Å; Y297-V325 PolarHBondContact O-N 2.94Å; V299-V325 HydrophobicContact CG2-CB 4.09Å; V299-V325 HydrophobicContact CG2-CG2 3.98Å; V325-A329 VanDerWaalsContact O-CB 3.3Å; V325-A329 WeakPolarHBondContact O-CB 3.27Å; V325-A329 PolarHBondContact O-N 3.22Å
326K96.7Very high91.7Very high135 Ų13551.9 Ų51.959%0.58732%0.322SS*.Hα-helixtrans-75.1-43.6179.6-61.9177.7-179.71740110.4M241 D324 A329 Q330M241-K326 HydrophobicContact CE-CG 4.24Å; M241-K326 HydrophobicContact SD-CG 4.15Å; D324-K326 PolarHBondContact O-N 2.83Å; D324-K326 VanDerWaalsContact O-N 3.13Å; D324-K326 WeakPolarHBondContact OD1-CA 2.97Å; D324-K326 VanDerWaalsContact OD1-CB 3.31Å; D324-K326 WeakPolarHBondContact OD1-CB 3.48Å; D324-K326 PolarHBondContact OD1-N 3.25Å; K326-A329 PolarHBondContact O-N 2.91Å; K326-Q330 VanDerWaalsContact O-CG 3.31Å; K326-Q330 WeakPolarHBondContact O-CG 3.05Å; K326-Q330 PolarHBondContact O-N 3.04Å
327T96.5Very high90.8Very high34 Ų3452.4 Ų52.421%0.20933%0.326CS..Hα-helixtrans-62.8-43.5173.7-600000110.8G318 C319 D324 A329 Q330 M331G318-T327 WeakPolarHBondContact O-CG2 3.24Å; C319-T327 HydrophobicContact CB-CG2 4.4Å; D324-T327 VanDerWaalsContact CG-OG1 3.28Å; D324-T327 PolarHBondContact O-N 3.07Å; D324-T327 PolarHBondContact OD1-N 3.23Å; D324-T327 PolarHBondContact OD1-OG1 3.3Å; D324-T327 WeakPolarHBondContact OD2-CB 3.29Å; D324-T327 PolarHBondContact OD2-OG1 2.84Å; T327-A329 VanDerWaalsContact C-N 3.33Å; T327-A329 PolarHBondContact O-N 3.19Å; T327-Q330 PolarHBondContact O-N 3.06Å; T327-M331 PolarHBondContact O-N 2.95Å
328F96.6Very high90.2Very high2 Ų259 Ų591%0.00935%0.352CS..Hα-helixtrans-57-46.5173.2-175-94.2000112L233 A237 L240 L271 F288 V299 L316 D324 Q330 M331 A332L233-F328 HydrophobicContact CD1-CE1 4.35Å; L233-F328 HydrophobicContact CD1-CZ 3.81Å; A237-F328 HydrophobicContact CB-CD1 4.03Å; A237-F328 HydrophobicContact CB-CE1 3.89Å; L240-F328 HydrophobicContact CD1-CD1 4.28Å; L240-F328 HydrophobicContact CD1-CE1 4.03Å; L271-F328 HydrophobicContact CD2-CE2 4.19Å; F288-F328 HydrophobicContact CD1-CE2 4.02Å; F288-F328 AromaticContact CD1-CZ 3.59Å; F288-F328 HydrophobicContact CD1-CZ 3.59Å; F288-F328 HydrophobicContact CE1-CE2 4Å; F288-F328 AromaticContact CE1-CZ 3.61Å; F288-F328 HydrophobicContact CE1-CZ 3.61Å; V299-F328 HydrophobicContact CB-CB 4.38Å; V299-F328 HydrophobicContact CB-CD2 4.22Å; V299-F328 HydrophobicContact CB-CG 4.18Å; V299-F328 HydrophobicContact CG1-CD1 4.45Å; V299-F328 HydrophobicContact CG1-CD2 3.98Å; V299-F328 HydrophobicContact CG1-CE2 4.05Å; V299-F328 HydrophobicContact CG1-CG 4.19Å; V299-F328 HydrophobicContact CG1-CZ 4.32Å; V299-F328 HydrophobicContact CG2-CB 4.06Å; V299-F328 HydrophobicContact CG2-CD1 4.25Å; V299-F328 HydrophobicContact CG2-CG 4.04Å; L316-F328 HydrophobicContact CD1-CD2 3.82Å; L316-F328 HydrophobicContact CD1-CE2 3.73Å; D324-F328 PolarHBondContact O-N 3.47Å; F328-Q330 VanDerWaalsContact C-N 3.34Å; F328-Q330 PolarHBondContact O-N 3.12Å; F328-M331 PolarHBondContact O-N 2.9Å; F328-A332 PolarHBondContact O-N 3.31Å; F328-A332 VanDerWaalsContact O-N 3.09Å
329A95.6Very high89.8Confident21 Ų2159.2 Ų59.217%0.17434%0.338CS..Hα-helixtrans-66.3-34.4179.200000113.3A237 M241 V325 K326 T327 A332 S333A237-A329 HydrophobicContact CB-CB 4.32Å; M241-A329 HydrophobicContact CG-CB 3.46Å; M241-A329 VanDerWaalsContact CG-CB 3.46Å; M241-A329 HydrophobicContact SD-CB 4.04Å; V325-A329 VanDerWaalsContact O-CB 3.3Å; V325-A329 WeakPolarHBondContact O-CB 3.27Å; V325-A329 PolarHBondContact O-N 3.22Å; K326-A329 PolarHBondContact O-N 2.91Å; T327-A329 VanDerWaalsContact C-N 3.33Å; T327-A329 PolarHBondContact O-N 3.19Å; A329-A332 PolarHBondContact O-N 3.3Å; A329-S333 WeakPolarHBondContact O-CB 3.49Å; A329-S333 PolarHBondContact O-N 3.49Å
330Q94.5Very high89.1Confident143 Ų14360.4 Ų60.467%0.66834%0.341SS*.Hα-helixtrans-64.9-39.6173.3-74.3171.91.100111.9K326 T327 F328 A332 S333K326-Q330 VanDerWaalsContact O-CG 3.31Å; K326-Q330 WeakPolarHBondContact O-CG 3.05Å; K326-Q330 PolarHBondContact O-N 3.04Å; T327-Q330 PolarHBondContact O-N 3.06Å; F328-Q330 VanDerWaalsContact C-N 3.34Å; F328-Q330 PolarHBondContact O-N 3.12Å; Q330-A332 VanDerWaalsContact C-N 3.32Å; Q330-A332 PolarHBondContact O-N 3.49Å; Q330-S333 WeakPolarHBondContact O-CB 3.39Å; Q330-S333 PolarHBondContact O-N 2.88Å
331M91.9Very high88.6Confident35 Ų3560.8 Ų60.817%0.17233%0.334CS..Hα-helixtrans-66.3-33.2175.5-7317954.300113.7L316 P317 C319 T327 F328 R335L316-M331 HydrophobicContact CB-CE 4.22Å; P317-M331 WeakPolarHBondContact O-CE 3.22Å; C319-M331 HydrophobicContact CB-SD 3.53Å; C319-M331 VanDerWaalsContact CB-SD 3.53Å; C319-M331 PolarHBondContact N-SD 2.9Å; T327-M331 PolarHBondContact O-N 2.95Å; F328-M331 PolarHBondContact O-N 2.9Å; M331-R335 PolarHBondContact O-NE 2.9Å
332A91Very high88.2Confident1 Ų162.1 Ų62.11%0.00834%0.338CS..Hα-helixtrans-79.8-24.317700000112.9L233 A237 F328 A329 Q330 R335L233-A332 HydrophobicContact CD1-CB 4.47Å; L233-A332 HydrophobicContact CD2-CB 4.3Å; L233-A332 HydrophobicContact CG-CB 3.81Å; A237-A332 HydrophobicContact CB-CB 3.37Å; F328-A332 PolarHBondContact O-N 3.31Å; F328-A332 VanDerWaalsContact O-N 3.09Å; A329-A332 PolarHBondContact O-N 3.3Å; Q330-A332 VanDerWaalsContact C-N 3.32Å; Q330-A332 PolarHBondContact O-N 3.49Å; A332-R335 PolarHBondContact O-N 3.12Å
333S88.3Confident87.7Confident81 Ų8163.1 Ų63.157%0.56634%0.335SS*.THydrogen-bonded Turntrans-63.4134.3-175.3-179.70000112A329 Q330 R335A329-S333 WeakPolarHBondContact O-CB 3.49Å; A329-S333 PolarHBondContact O-N 3.49Å; Q330-S333 WeakPolarHBondContact O-CB 3.39Å; Q330-S333 PolarHBondContact O-N 2.88Å; S333-R335 PolarHBondContact O-N 2.82Å
334G78.9Confident87Confident63 Ų6362.8 Ų62.865%0.64933%0.333SS*.THydrogen-bonded Turntrans75.48.2175.800000113.6E234E234-G334 PolarHBondContact OE2-N 3.02Å
335R81.3Confident86.4Confident69 Ų6968 Ų6826%0.2635%0.349SS..  trans-77.9-29.8168-59.4-147.4-171-1455.9110.4G230 E234 N270 D272 M331 A332 S333G230-R335 VanDerWaalsContact CA-C 3.5Å; G230-R335 WeakPolarHBondContact CA-O 3.3Å; E234-R335 PolarHBondContact OE2-N 2.62Å; N270-R335 VanDerWaalsContact CA-NH1 3.31Å; N270-R335 PolarHBondContact O-NE 3.13Å; N270-R335 VanDerWaalsContact O-NE 3.14Å; N270-R335 PolarHBondContact O-NH1 3.37Å; N270-R335 PolarHBondContact O-NH2 3.44Å; N270-R335 WeakPolarHBondContact OD1-CD 3.28Å; D272-R335 IonicContact OD1-NH1 2.7Å; D272-R335 IonicContact OD2-CZ 2.84Å; D272-R335 IonicContact OD2-NH1 3.75Å; D272-R335 IonicContact OD2-NH2 3.67Å; D272-R335 PolarHBondContact OD2-NH2 3.1Å; M331-R335 PolarHBondContact O-NE 2.9Å; A332-R335 PolarHBondContact O-N 3.12Å; S333-R335 PolarHBondContact O-N 2.82Å
336A77.6Confident85.5Confident21 Ų2168.9 Ų68.917%0.17435%0.354CS..SBendtrans-81.2142.5175.600000112.6P231 E234 Q338P231-A336 HydrophobicContact CB-CB 4.38Å; P231-A336 HydrophobicContact CG-CB 4.16Å; E234-A336 HydrophobicContact CB-CB 4Å; E234-A336 HydrophobicContact CG-CB 4.36Å; E234-A336 WeakPolarHBondContact OE2-CA 3.49Å; E234-A336 WeakPolarHBondContact OE2-CB 3.38Å; E234-A336 PolarHBondContact OE2-N 2.75Å; A336-Q338 PolarHBondContact O-N 3.34Å
337P76.2Confident84.4Confident26 Ų2666 Ų6617%0.16935%0.348CS..  trans-60.3128.9170.424.5-35.5000111P231 N339 W340 E343P231-P337 HydrophobicContact CG-CG 4.37Å; P337-N339 VanDerWaalsContact C-N 3.32Å; P337-N339 PolarHBondContact O-N 2.78Å; P337-W340 HydrophobicContact CG-CD2 4.35Å; P337-W340 HydrophobicContact CG-CE3 3.36Å; P337-W340 HydrophobicContact CG-CZ3 3.81Å; P337-E343 WeakPolarHBondContact CA-OE2 3.28Å; P337-E343 HydrophobicContact CB-CB 4.04Å; P337-E343 HydrophobicContact CB-CG 4.22Å; P337-E343 WeakPolarHBondContact CB-OE2 3.49Å
338Q78.7Confident83.3Confident206 Ų20671.5 Ų71.596%0.96338%0.376SS*.SBendtrans-62.3-42176.7-70.5-164.2-11.500111.6A336A336-Q338 PolarHBondContact O-N 3.34Å
339N82.9Confident81.9Confident68 Ų6878.7 Ų78.736%0.36441%0.409SS..  trans-130.1104.2171.3-174-13.1000109.7P337 H341 D342 E343P337-N339 VanDerWaalsContact C-N 3.32Å; P337-N339 PolarHBondContact O-N 2.78Å; N339-H341 VanDerWaalsContact C-N 3.25Å; N339-H341 PolarHBondContact O-N 3.12Å; N339-H341 PolarHBondContact OD1-N 2.71Å; N339-D342 HydrophobicContact CB-CB 4.07Å; N339-D342 PolarHBondContact ND2-OD1 3.48Å; N339-D342 PolarHBondContact ND2-OD2 3.16Å; N339-D342 PolarHBondContact O-N 3.34Å; N339-D342 PolarHBondContact OD1-N 3.22Å; N339-E343 WeakPolarHBondContact O-CB 2.98Å; N339-E343 PolarHBondContact O-N 2.77Å
340W80.2Confident80.5Confident30 Ų3080.3 Ų80.311%0.11442%0.415CS..Hα-helixtrans-54.2-39.9177.4-172-84000112.6K157 Y165 C166 P231 P337 C344K157-W340 HydrophobicContact CB-CD2 3.83Å; K157-W340 HydrophobicContact CB-CE3 3.8Å; K157-W340 HydrophobicContact CB-CH2 3.95Å; K157-W340 HydrophobicContact CB-CZ2 3.91Å; K157-W340 HydrophobicContact CB-CZ3 3.9Å; K157-W340 HydrophobicContact CD-CB 4.5Å; K157-W340 HydrophobicContact CD-CD2 4.23Å; K157-W340 HydrophobicContact CD-CE3 4.26Å; K157-W340 HydrophobicContact CD-CG 4.32Å; Y165-W340 PolarHBondContact O-NE1 3.17Å; C166-W340 HydrophobicContact CB-CZ2 3.85Å; P231-W340 HydrophobicContact CG-CE3 4.33Å; P231-W340 HydrophobicContact CG-CZ3 3.86Å; P337-W340 HydrophobicContact CG-CD2 4.35Å; P337-W340 HydrophobicContact CG-CE3 3.36Å; P337-W340 HydrophobicContact CG-CZ3 3.81Å; W340-C344 PolarHBondContact NE1-SG 2.74Å; W340-C344 VanDerWaalsContact NE1-SG 3.36Å; W340-C344 WeakPolarHBondContact O-CB 3.29Å; W340-C344 PolarHBondContact O-N 2.82Å; W340-C344 PolarHBondContact O-SG 3.32Å
341H81.5Confident79.3Confident105 Ų10576.3 Ų76.349%0.48640%0.4SS..Hα-helixtrans-67.1-44.6-178.2-77.176.3000111.8N339 R345 I346N339-H341 VanDerWaalsContact C-N 3.25Å; N339-H341 PolarHBondContact O-N 3.12Å; N339-H341 PolarHBondContact OD1-N 2.71Å; H341-R345 PolarHBondContact O-N 3.16Å; H341-R345 VanDerWaalsContact O-N 3.12Å; H341-I346 PolarHBondContact O-N 3.2Å
342D82.8Confident78.4Confident116 Ų11677.4 Ų77.462%0.6240%0.404SS*.Hα-helixtrans-69.2-45.5-179.3-62.7-13.9000110.8N339 C344 R345N339-D342 HydrophobicContact CB-CB 4.07Å; N339-D342 PolarHBondContact ND2-OD1 3.48Å; N339-D342 PolarHBondContact ND2-OD2 3.16Å; N339-D342 PolarHBondContact O-N 3.34Å; N339-D342 PolarHBondContact OD1-N 3.22Å; D342-C344 VanDerWaalsContact C-N 3.35Å; D342-C344 PolarHBondContact O-N 3.27Å; D342-R345 PolarHBondContact O-N 2.86Å
343E81.6Confident77.4Confident105 Ų10581.6 Ų81.649%0.49143%0.429SS..Hα-helixtrans-67.3-37.8-177.9-166.2161.8149.400112Y168 P337 N339 R345Y168-E343 VanDerWaalsContact CD1-O 3.25Å; Y168-E343 WeakPolarHBondContact CD1-O 3.32Å; P337-E343 WeakPolarHBondContact CA-OE2 3.28Å; P337-E343 HydrophobicContact CB-CB 4.04Å; P337-E343 HydrophobicContact CB-CG 4.22Å; P337-E343 WeakPolarHBondContact CB-OE2 3.49Å; N339-E343 WeakPolarHBondContact O-CB 2.98Å; N339-E343 PolarHBondContact O-N 2.77Å; E343-R345 PolarHBondContact O-N 3.48Å
344C81.5Confident76.3Confident2 Ų278.6 Ų78.61%0.01441%0.412CS..THydrogen-bonded Turntrans-78.7-1.4173.1-65.50000113.6C166 P167 W340 D342 I346C166-C344 VanDerWaalsContact CA-SG 3.58Å; C166-C344 HydrophobicContact CB-CB 3.89Å; C166-C344 WeakPolarHBondContact CB-SG 3.42Å; C166-C344 VanDerWaalsContact SG-CA 3.55Å; C166-C344 WeakPolarHBondContact SG-CB 3.44Å; C166-C344 CovalentContact SG-SG 2.03Å; C166-C344 PolarHBondContact SG-SG 3.14Å; P167-C344 VanDerWaalsContact CD-O 3.3Å; P167-C344 WeakPolarHBondContact CD-O 3.47Å; P167-C344 VanDerWaalsContact CG-O 3.25Å; P167-C344 WeakPolarHBondContact CG-O 3.44Å; W340-C344 PolarHBondContact NE1-SG 2.74Å; W340-C344 VanDerWaalsContact NE1-SG 3.36Å; W340-C344 WeakPolarHBondContact O-CB 3.29Å; W340-C344 PolarHBondContact O-N 2.82Å; W340-C344 PolarHBondContact O-SG 3.32Å; D342-C344 VanDerWaalsContact C-N 3.35Å; D342-C344 PolarHBondContact O-N 3.27Å; C344-I346 HydrophobicContact CB-CD1 3.85Å; C344-I346 HydrophobicContact CB-CG1 3.65Å; C344-I346 PolarHBondContact O-N 2.98Å
345R82.9Confident76Confident156 Ų15678.1 Ų78.159%0.58939%0.394SS*.THydrogen-bonded Turntrans50.442.4-176-55.8-175.1-178.4-176.12.1113Y168 H341 D342 E343 T347Y168-R345 HydrophobicContact CD2-CG 4.26Å; Y168-R345 VanDerWaalsContact CD2-NE 3.34Å; Y168-R345 VanDerWaalsContact CE2-NE 3.34Å; Y168-R345 HydrophobicContact CG-CG 4.09Å; Y168-R345 PolarHBondContact OH-NH2 3.49Å; H341-R345 PolarHBondContact O-N 3.16Å; H341-R345 VanDerWaalsContact O-N 3.12Å; D342-R345 PolarHBondContact O-N 2.86Å; E343-R345 PolarHBondContact O-N 3.48Å; R345-T347 PolarHBondContact O-N 3.41Å
346I77.6Confident75.9Confident28 Ų2878.4 Ų78.414%0.14441%0.406CS..  trans-76.2115.1-179.4-60.3176000108.7Y165 H341 C344 V351Y165-I346 HydrophobicContact CD1-CD1 4.07Å; Y165-I346 HydrophobicContact CD1-CG1 4.27Å; Y165-I346 HydrophobicContact CE1-CG1 4.39Å; Y165-I346 HydrophobicContact CE1-CG2 4.29Å; H341-I346 PolarHBondContact O-N 3.2Å; C344-I346 HydrophobicContact CB-CD1 3.85Å; C344-I346 HydrophobicContact CB-CG1 3.65Å; C344-I346 PolarHBondContact O-N 2.98Å; I346-V351 HydrophobicContact CG2-CG2 3.32Å
347T74.9Confident76.1Confident75 Ų7581.7 Ų81.746%0.4643%0.428SS..  trans-95.4155.5171.966.30000110.9R345 E349 L350 V351R345-T347 PolarHBondContact O-N 3.41Å; T347-E349 PolarHBondContact O-N 3.21Å; T347-L350 WeakPolarHBondContact O-CA 2.93Å; T347-L350 VanDerWaalsContact O-CB 3.25Å; T347-L350 WeakPolarHBondContact O-CB 3.29Å; T347-L350 PolarHBondContact O-N 3.09Å; T347-L350 PolarHBondContact OG1-N 2.66Å; T347-V351 PolarHBondContact O-N 3.45Å
348D72.2Confident76.5Confident149 Ų14986.5 Ų86.580%0.79745%0.452SS*.Hα-helixtrans-55.8-36.6178.5-70.6-30.4000112.7L350 V351 F352D348-L350 VanDerWaalsContact C-N 3.31Å; D348-L350 PolarHBondContact O-N 2.65Å; D348-V351 PolarHBondContact O-N 3.32Å; D348-F352 PolarHBondContact O-N 2.73Å
349E68Low76.7Confident153 Ų15378 Ų7872%0.71542%0.417SS*.Hα-helixtrans-63.6-38.2175.9-168.6171.8-164.500111.9T347 F352 T353T347-E349 PolarHBondContact O-N 3.21Å; E349-F352 PolarHBondContact O-N 3.47Å; E349-T353 WeakPolarHBondContact O-CG2 3.38Å; E349-T353 PolarHBondContact O-N 3.37Å; E349-T353 PolarHBondContact O-OG1 3.31Å
350L65.3Low76.8Confident55 Ų5576.9 Ų76.929%0.28841%0.41SS..Hα-helixtrans-69.5-37.4176.5-12879.2000112.2Y165 P167 T347 D348 T353 G354Y165-L350 HydrophobicContact CE1-CB 4.43Å; Y165-L350 HydrophobicContact CE1-CD2 3.97Å; Y165-L350 HydrophobicContact CE1-CG 4.42Å; Y165-L350 WeakPolarHBondContact OH-CD2 3.07Å; Y165-L350 WeakPolarHBondContact OH-CG 3.2Å; Y165-L350 PolarHBondContact OH-O 3.18Å; P167-L350 HydrophobicContact CB-CD2 4.13Å; P167-L350 HydrophobicContact CG-CD2 3.54Å; T347-L350 WeakPolarHBondContact O-CA 2.93Å; T347-L350 VanDerWaalsContact O-CB 3.25Å; T347-L350 WeakPolarHBondContact O-CB 3.29Å; T347-L350 PolarHBondContact O-N 3.09Å; T347-L350 PolarHBondContact OG1-N 2.66Å; D348-L350 VanDerWaalsContact C-N 3.31Å; D348-L350 PolarHBondContact O-N 2.65Å; L350-T353 WeakPolarHBondContact CA-OG1 3.48Å; L350-T353 PolarHBondContact O-OG1 2.8Å; L350-T353 VanDerWaalsContact O-OG1 3.14Å; L350-G354 PolarHBondContact O-N 2.94Å
351V70Confident77.2Confident59 Ų5977.8 Ų77.836%0.35842%0.424SS..Hα-helixtrans-63.8-47.2174.6178.60000110.2I346 T347 D348 G354 L355I346-V351 HydrophobicContact CG2-CG2 3.32Å; T347-V351 PolarHBondContact O-N 3.45Å; D348-V351 PolarHBondContact O-N 3.32Å; V351-G354 PolarHBondContact O-N 3.4Å; V351-L355 PolarHBondContact O-N 2.69Å
352F72.1Confident77.6Confident58 Ų5878 Ų7825%0.25443%0.428SS..Hα-helixtrans-63.2-48-178.7-178.1-96.5000112.4D348 E349 G354 L355 Q360 I363 L364D348-F352 PolarHBondContact O-N 2.73Å; E349-F352 PolarHBondContact O-N 3.47Å; F352-G354 PolarHBondContact O-N 3.25Å; F352-L355 WeakPolarHBondContact O-CB 3.24Å; F352-L355 PolarHBondContact O-N 3.14Å; F352-L355 VanDerWaalsContact O-N 3.12Å; F352-Q360 HydrophobicContact CD1-CG 4.35Å; F352-Q360 HydrophobicContact CD2-CG 4.46Å; F352-Q360 HydrophobicContact CE1-CB 4.12Å; F352-Q360 HydrophobicContact CE1-CG 3.95Å; F352-Q360 HydrophobicContact CE2-CB 3.95Å; F352-Q360 HydrophobicContact CE2-CG 4.08Å; F352-Q360 HydrophobicContact CZ-CB 3.56Å; F352-Q360 HydrophobicContact CZ-CG 3.81Å; F352-Q360 WeakPolarHBondContact O-CG 3.4Å; F352-Q360 PolarHBondContact O-NE2 2.84Å; F352-I363 HydrophobicContact CD2-CD1 4.41Å; F352-I363 HydrophobicContact CD2-CG2 4.23Å; F352-I363 HydrophobicContact CE2-CB 4.09Å; F352-I363 HydrophobicContact CE2-CG2 3.98Å; F352-L364 HydrophobicContact CE2-CG 4.18Å; F352-L364 HydrophobicContact CZ-CD1 3.83Å; F352-L364 HydrophobicContact CZ-CD2 4.16Å; F352-L364 HydrophobicContact CZ-CG 3.74Å
353T71Confident77.8Confident88 Ų8876.2 Ų76.254%0.5442%0.417SS..Hα-helixtrans-63.5-23177.552.30000112.8E349 L350 Q360E349-T353 WeakPolarHBondContact O-CG2 3.38Å; E349-T353 PolarHBondContact O-N 3.37Å; E349-T353 PolarHBondContact O-OG1 3.31Å; L350-T353 WeakPolarHBondContact CA-OG1 3.48Å; L350-T353 PolarHBondContact O-OG1 2.8Å; L350-T353 VanDerWaalsContact O-OG1 3.14Å; T353-Q360 PolarHBondContact O-NE2 3.19Å
354G66.1Low78.1Confident19 Ų1975.8 Ų75.820%0.19642%0.418CS..THydrogen-bonded Turntrans-75.9-14.717500000117R154 L350 V351 F352R154-G354 VanDerWaalsContact NH1-CA 3.34Å; R154-G354 PolarHBondContact NH1-O 3.36Å; L350-G354 PolarHBondContact O-N 2.94Å; V351-G354 PolarHBondContact O-N 3.4Å; F352-G354 PolarHBondContact O-N 3.25Å
355L72.4Confident78.7Confident52 Ų5279.9 Ų79.927%0.27244%0.442SS..SBendtrans-80159.1-178.7-70.1169.9000111.9V351 F352 A359 Q360 I363V351-L355 PolarHBondContact O-N 2.69Å; F352-L355 WeakPolarHBondContact O-CB 3.24Å; F352-L355 PolarHBondContact O-N 3.14Å; F352-L355 VanDerWaalsContact O-N 3.12Å; L355-A359 HydrophobicContact CB-CB 3.97Å; L355-A359 HydrophobicContact CD2-CB 4.35Å; L355-Q360 HydrophobicContact CB-CG 3.95Å; L355-Q360 PolarHBondContact O-NE2 2.91Å; L355-I363 HydrophobicContact CD1-CD1 3.29Å
356S77.9Confident79.1Confident75 Ų7575 Ų7552%0.52443%0.433SS..  trans-61.9151.7171.170.60000110.5N358 A359 Q360S356-N358 PolarHBondContact O-N 2.83Å; S356-N358 VanDerWaalsContact O-N 3.09Å; S356-A359 WeakPolarHBondContact O-CA 3.49Å; S356-A359 WeakPolarHBondContact O-CB 3.33Å; S356-A359 PolarHBondContact O-N 2.97Å; S356-A359 WeakPolarHBondContact OG-CB 3.48Å; S356-A359 PolarHBondContact OG-N 3.22Å; S356-Q360 PolarHBondContact O-N 3.07Å
357S82.1Confident79.8Confident91 Ų9176.7 Ų76.764%0.63645%0.446SS*.Hα-helixtrans-55-34179.6-500000112.5A361S357-A361 WeakPolarHBondContact O-CB 3.3Å; S357-A361 PolarHBondContact O-N 3.13Å
358N84Confident80.7Confident126 Ų12677.4 Ų77.467%0.67445%0.45SS*.Hα-helixtrans-67.1-43.8174.3-69.6-15.6000112.1S356 A361 I362S356-N358 PolarHBondContact O-N 2.83Å; S356-N358 VanDerWaalsContact O-N 3.09Å; N358-A361 PolarHBondContact O-N 3.18Å; N358-I362 VanDerWaalsContact O-CG1 3.26Å; N358-I362 WeakPolarHBondContact O-CG1 3.45Å; N358-I362 PolarHBondContact O-N 3.33Å
359A83.6Confident81.8Confident28 Ų2874.6 Ų74.623%0.23144%0.435CS..Hα-helixtrans-66.2-39.6177.500000111.7L355 S356 I362 I363L355-A359 HydrophobicContact CB-CB 3.97Å; L355-A359 HydrophobicContact CD2-CB 4.35Å; S356-A359 WeakPolarHBondContact O-CA 3.49Å; S356-A359 WeakPolarHBondContact O-CB 3.33Å; S356-A359 PolarHBondContact O-N 2.97Å; S356-A359 WeakPolarHBondContact OG-CB 3.48Å; S356-A359 PolarHBondContact OG-N 3.22Å; A359-I362 PolarHBondContact O-N 3.44Å; A359-I363 WeakPolarHBondContact O-CG1 3.22Å; A359-I363 PolarHBondContact O-N 3.26Å
360Q85.2Confident83.2Confident45 Ų4572 Ų7221%0.2143%0.429CS..Hα-helixtrans-58.5-48.3172-70.7174.9-1000111.4F352 T353 L355 S356 I362 I363 L364F352-Q360 HydrophobicContact CD1-CG 4.35Å; F352-Q360 HydrophobicContact CD2-CG 4.46Å; F352-Q360 HydrophobicContact CE1-CB 4.12Å; F352-Q360 HydrophobicContact CE1-CG 3.95Å; F352-Q360 HydrophobicContact CE2-CB 3.95Å; F352-Q360 HydrophobicContact CE2-CG 4.08Å; F352-Q360 HydrophobicContact CZ-CB 3.56Å; F352-Q360 HydrophobicContact CZ-CG 3.81Å; F352-Q360 WeakPolarHBondContact O-CG 3.4Å; F352-Q360 PolarHBondContact O-NE2 2.84Å; T353-Q360 PolarHBondContact O-NE2 3.19Å; L355-Q360 HydrophobicContact CB-CG 3.95Å; L355-Q360 PolarHBondContact O-NE2 2.91Å; S356-Q360 PolarHBondContact O-N 3.07Å; Q360-I362 PolarHBondContact O-N 3.23Å; Q360-I363 PolarHBondContact O-N 3.33Å; Q360-L364 WeakPolarHBondContact O-CG 3.34Å; Q360-L364 PolarHBondContact O-N 2.68Å
361A87.6Confident84.6Confident49 Ų4971.9 Ų71.941%0.40544%0.436SS..Hα-helixtrans-61.4-43.417800000112.1S357 N358 I363 L364 V365S357-A361 WeakPolarHBondContact O-CB 3.3Å; S357-A361 PolarHBondContact O-N 3.13Å; N358-A361 PolarHBondContact O-N 3.18Å; A361-I363 PolarHBondContact O-N 3.16Å; A361-L364 PolarHBondContact O-N 2.84Å; A361-V365 WeakPolarHBondContact O-CB 3.25Å; A361-V365 VanDerWaalsContact O-CG2 3.28Å; A361-V365 WeakPolarHBondContact O-CG2 3.39Å; A361-V365 PolarHBondContact O-N 2.72Å
362I89.8Confident85.8Confident110 Ų11073.7 Ų73.756%0.56445%0.447SS*.Hα-helixtrans-60.2-46.6176.8-70.6164.5000110.6N358 A359 Q360 L364 V365 S366N358-I362 VanDerWaalsContact O-CG1 3.26Å; N358-I362 WeakPolarHBondContact O-CG1 3.45Å; N358-I362 PolarHBondContact O-N 3.33Å; A359-I362 PolarHBondContact O-N 3.44Å; Q360-I362 PolarHBondContact O-N 3.23Å; I362-L364 PolarHBondContact O-N 3.4Å; I362-V365 PolarHBondContact O-N 2.55Å; I362-S366 VanDerWaalsContact O-CB 3.26Å; I362-S366 WeakPolarHBondContact O-CB 3.4Å; I362-S366 PolarHBondContact O-N 2.82Å; I362-S366 PolarHBondContact O-OG 3.4Å
363I87.9Confident87Confident78 Ų7876.1 Ų76.140%0.446%0.461SS..Hα-helixtrans-62.7-43.8179.6-70169.6000111F352 L355 A359 Q360 A361 S366 S367F352-I363 HydrophobicContact CD2-CD1 4.41Å; F352-I363 HydrophobicContact CD2-CG2 4.23Å; F352-I363 HydrophobicContact CE2-CB 4.09Å; F352-I363 HydrophobicContact CE2-CG2 3.98Å; L355-I363 HydrophobicContact CD1-CD1 3.29Å; A359-I363 WeakPolarHBondContact O-CG1 3.22Å; A359-I363 PolarHBondContact O-N 3.26Å; Q360-I363 PolarHBondContact O-N 3.33Å; A361-I363 PolarHBondContact O-N 3.16Å; I363-S366 PolarHBondContact O-N 3.03Å; I363-S367 WeakPolarHBondContact O-CB 3.29Å; I363-S367 PolarHBondContact O-N 3.21Å; I363-S367 PolarHBondContact O-OG 3.16Å
364L89Confident88.1Confident96 Ų9674.6 Ų74.650%0.50346%0.458SS..Hα-helixtrans-63.5-43.4177.2-72.8170.9000112.3F352 Q360 A361 I362 S366 S367 V368F352-L364 HydrophobicContact CE2-CG 4.18Å; F352-L364 HydrophobicContact CZ-CD1 3.83Å; F352-L364 HydrophobicContact CZ-CD2 4.16Å; F352-L364 HydrophobicContact CZ-CG 3.74Å; Q360-L364 WeakPolarHBondContact O-CG 3.34Å; Q360-L364 PolarHBondContact O-N 2.68Å; A361-L364 PolarHBondContact O-N 2.84Å; I362-L364 PolarHBondContact O-N 3.4Å; L364-S366 VanDerWaalsContact C-N 3.35Å; L364-S367 WeakPolarHBondContact CA-OG 3.4Å; L364-S367 PolarHBondContact O-N 3.4Å; L364-S367 PolarHBondContact O-OG 3.22Å; L364-V368 VanDerWaalsContact O-CG2 3.25Å; L364-V368 WeakPolarHBondContact O-CG2 3.47Å; L364-V368 PolarHBondContact O-N 3.38Å
365V93.1Very high89.6Confident87 Ų8778.2 Ų78.253%0.52748%0.476SS..Hα-helixtrans-65.5-42.5176.7171.60000110.5A361 I362 S367 V368 I369A361-V365 WeakPolarHBondContact O-CB 3.25Å; A361-V365 VanDerWaalsContact O-CG2 3.28Å; A361-V365 WeakPolarHBondContact O-CG2 3.39Å; A361-V365 PolarHBondContact O-N 2.72Å; I362-V365 PolarHBondContact O-N 2.55Å; V365-S367 PolarHBondContact O-N 2.72Å; V365-V368 PolarHBondContact O-N 3.48Å; V365-I369 HydrophobicContact CG1-CD1 3.78Å; V365-I369 HydrophobicContact CG1-CG1 4.43Å; V365-I369 VanDerWaalsContact O-CG1 3.27Å; V365-I369 WeakPolarHBondContact O-CG1 3.4Å; V365-I369 PolarHBondContact O-N 2.81Å
366S92.3Very high90.7Very high55 Ų5577.2 Ų77.239%0.38548%0.478SS..Hα-helixtrans-62.2-44.4178.6-54.40000111.4I362 I363 L364 I369 V370I362-S366 VanDerWaalsContact O-CB 3.26Å; I362-S366 WeakPolarHBondContact O-CB 3.4Å; I362-S366 PolarHBondContact O-N 2.82Å; I362-S366 PolarHBondContact O-OG 3.4Å; I363-S366 PolarHBondContact O-N 3.03Å; L364-S366 VanDerWaalsContact C-N 3.35Å; S366-I369 PolarHBondContact O-N 2.96Å; S366-V370 VanDerWaalsContact O-CG2 3.3Å; S366-V370 WeakPolarHBondContact O-CG2 3.37Å; S366-V370 PolarHBondContact O-N 3Å
367S90.7Very high91.5Very high62 Ų6276.1 Ų76.143%0.43447%0.473SS..Hα-helixtrans-67-37.8179.363.80000112I363 L364 V365 V370 A371I363-S367 WeakPolarHBondContact O-CB 3.29Å; I363-S367 PolarHBondContact O-N 3.21Å; I363-S367 PolarHBondContact O-OG 3.16Å; L364-S367 WeakPolarHBondContact CA-OG 3.4Å; L364-S367 PolarHBondContact O-N 3.4Å; L364-S367 PolarHBondContact O-OG 3.22Å; V365-S367 PolarHBondContact O-N 2.72Å; S367-V370 PolarHBondContact O-N 3.16Å; S367-A371 WeakPolarHBondContact O-CB 3.29Å; S367-A371 PolarHBondContact O-N 2.87Å
368V94.9Very high92.1Very high90 Ų9074.3 Ų74.355%0.54546%0.464SS..Hα-helixtrans-63.9-44.7172.4171.80000111.4L364 V365 V370 A371 V372L364-V368 VanDerWaalsContact O-CG2 3.25Å; L364-V368 WeakPolarHBondContact O-CG2 3.47Å; L364-V368 PolarHBondContact O-N 3.38Å; V365-V368 PolarHBondContact O-N 3.48Å; V368-V370 PolarHBondContact O-N 3.31Å; V368-A371 PolarHBondContact O-N 2.98Å; V368-V372 HydrophobicContact CG1-CG2 4.35Å; V368-V372 VanDerWaalsContact O-CG2 3.31Å; V368-V372 WeakPolarHBondContact O-CG2 3.4Å; V368-V372 PolarHBondContact O-N 2.85Å
369I95.4Very high92.7Very high91 Ų9172.8 Ų72.847%0.46746%0.459SS..Hα-helixtrans-60.5-46.8177.4-70.1166.3000110.5V365 S366 A371 V372 I373V365-I369 HydrophobicContact CG1-CD1 3.78Å; V365-I369 HydrophobicContact CG1-CG1 4.43Å; V365-I369 VanDerWaalsContact O-CG1 3.27Å; V365-I369 WeakPolarHBondContact O-CG1 3.4Å; V365-I369 PolarHBondContact O-N 2.81Å; S366-I369 PolarHBondContact O-N 2.96Å; I369-A371 VanDerWaalsContact C-N 3.32Å; I369-A371 PolarHBondContact O-N 3.35Å; I369-V372 PolarHBondContact O-N 2.81Å; I369-I373 HydrophobicContact CG2-CD1 3.75Å; I369-I373 HydrophobicContact CG2-CG1 4.42Å; I369-I373 VanDerWaalsContact O-CG1 3.3Å; I369-I373 WeakPolarHBondContact O-CG1 3.4Å; I369-I373 PolarHBondContact O-N 2.9Å
370V95.7Very high93.2Very high98 Ų9876.4 Ų76.459%0.59447%0.474SS*.Hα-helixtrans-60.4-43.1177.2171.70000110.9S366 S367 V368 I373 A374S366-V370 VanDerWaalsContact O-CG2 3.3Å; S366-V370 WeakPolarHBondContact O-CG2 3.37Å; S366-V370 PolarHBondContact O-N 3Å; S367-V370 PolarHBondContact O-N 3.16Å; V368-V370 PolarHBondContact O-N 3.31Å; V370-I373 PolarHBondContact O-N 2.63Å; V370-A374 WeakPolarHBondContact O-CB 3.29Å; V370-A374 PolarHBondContact O-N 3Å
371A95Very high93.7Very high53 Ų5378 Ų7844%0.43849%0.487SS..Hα-helixtrans-62.9-43.3176.800000112.1S367 V368 I369 A374 V375S367-A371 WeakPolarHBondContact O-CB 3.29Å; S367-A371 PolarHBondContact O-N 2.87Å; V368-A371 PolarHBondContact O-N 2.98Å; I369-A371 VanDerWaalsContact C-N 3.32Å; I369-A371 PolarHBondContact O-N 3.35Å; A371-A374 PolarHBondContact O-N 2.89Å; A371-V375 WeakPolarHBondContact O-CB 3.2Å; A371-V375 VanDerWaalsContact O-CG2 3.3Å; A371-V375 WeakPolarHBondContact O-CG2 3.42Å; A371-V375 PolarHBondContact O-N 3.06Å
372V96.3Very high94Very high96 Ų9679.3 Ų79.358%0.58249%0.489SS*.Hα-helixtrans-63.4-43.2176.9170.40000111.1V368 I369 V375 G376V368-V372 HydrophobicContact CG1-CG2 4.35Å; V368-V372 VanDerWaalsContact O-CG2 3.31Å; V368-V372 WeakPolarHBondContact O-CG2 3.4Å; V368-V372 PolarHBondContact O-N 2.85Å; I369-V372 PolarHBondContact O-N 2.81Å; V372-V375 PolarHBondContact O-N 3.04Å; V372-G376 PolarHBondContact O-N 3.43Å
373I96.2Very high94.2Very high110 Ų11080.8 Ų80.856%0.56449%0.492SS*.Hα-helixtrans-63-44.5176.1-68168.9000110.5I369 V370 G376 A377I369-I373 HydrophobicContact CG2-CD1 3.75Å; I369-I373 HydrophobicContact CG2-CG1 4.42Å; I369-I373 VanDerWaalsContact O-CG1 3.3Å; I369-I373 WeakPolarHBondContact O-CG1 3.4Å; I369-I373 PolarHBondContact O-N 2.9Å; V370-I373 PolarHBondContact O-N 2.63Å; I373-G376 PolarHBondContact O-N 3.27Å; I373-A377 WeakPolarHBondContact O-CB 3.39Å; I373-A377 PolarHBondContact O-N 3.4Å
374A95.8Very high94.4Very high56 Ų5682.8 Ų82.846%0.46350%0.501SS..Hα-helixtrans-63.2-43.817900000112.1V370 A371 A377 A378V370-A374 WeakPolarHBondContact O-CB 3.29Å; V370-A374 PolarHBondContact O-N 3Å; A371-A374 PolarHBondContact O-N 2.89Å; A374-A377 PolarHBondContact O-N 3.43Å; A374-A378 WeakPolarHBondContact O-CB 3.28Å; A374-A378 PolarHBondContact O-N 3.36Å
375V96.1Very high94.5Very high94 Ų9481.9 Ų81.957%0.5750%0.501SS*.Hα-helixtrans-64.5-44.3175.1172.20000110.6A371 V372 A377 A378 V379A371-V375 WeakPolarHBondContact O-CB 3.2Å; A371-V375 VanDerWaalsContact O-CG2 3.3Å; A371-V375 WeakPolarHBondContact O-CG2 3.42Å; A371-V375 PolarHBondContact O-N 3.06Å; V372-V375 PolarHBondContact O-N 3.04Å; V375-A377 PolarHBondContact O-N 3.09Å; V375-A378 PolarHBondContact O-N 2.8Å; V375-V379 HydrophobicContact CG1-CG2 4.39Å; V375-V379 VanDerWaalsContact O-CG2 3.31Å; V375-V379 WeakPolarHBondContact O-CG2 3.33Å; V375-V379 PolarHBondContact O-N 3.35Å
376G95.8Very high94.3Very high32 Ų3286 Ų8633%0.3351%0.508SS..Hα-helixtrans-58.3-46.5175.800000112.2V372 I373 A378 V379 I380V372-G376 PolarHBondContact O-N 3.43Å; I373-G376 PolarHBondContact O-N 3.27Å; G376-A378 PolarHBondContact O-N 3.14Å; G376-V379 PolarHBondContact O-N 2.81Å; G376-I380 VanDerWaalsContact O-CG1 3.3Å; G376-I380 WeakPolarHBondContact O-CG1 3.45Å; G376-I380 PolarHBondContact O-N 3.36Å
377A95.7Very high94Very high51 Ų5185.9 Ų85.942%0.42151%0.506SS..Hα-helixtrans-61.5-43.9175.600000111.8I373 A374 V375 V379 I380 V381I373-A377 WeakPolarHBondContact O-CB 3.39Å; I373-A377 PolarHBondContact O-N 3.4Å; A374-A377 PolarHBondContact O-N 3.43Å; V375-A377 PolarHBondContact O-N 3.09Å; A377-V379 PolarHBondContact O-N 2.88Å; A377-I380 PolarHBondContact O-N 3.46Å; A377-V381 VanDerWaalsContact O-CG2 3.31Å; A377-V381 WeakPolarHBondContact O-CG2 3.4Å; A377-V381 PolarHBondContact O-N 3.32Å
378A95.1Very high93.7Very high54 Ų5489.4 Ų89.445%0.44651%0.514SS..Hα-helixtrans-61.9-42176.500000112.1A374 V375 G376 V381 V382A374-A378 WeakPolarHBondContact O-CB 3.28Å; A374-A378 PolarHBondContact O-N 3.36Å; V375-A378 PolarHBondContact O-N 2.8Å; G376-A378 PolarHBondContact O-N 3.14Å; A378-V381 PolarHBondContact O-N 3.34Å; A378-V382 VanDerWaalsContact O-CG2 3.29Å; A378-V382 WeakPolarHBondContact O-CG2 3.39Å; A378-V382 PolarHBondContact O-N 3.21Å
379V95.6Very high93.1Very high93 Ų9392.9 Ų92.956%0.56452%0.522SS*.Hα-helixtrans-62.8-43.8175.9170.80000111V375 G376 A377 V382 F383V375-V379 HydrophobicContact CG1-CG2 4.39Å; V375-V379 VanDerWaalsContact O-CG2 3.31Å; V375-V379 WeakPolarHBondContact O-CG2 3.33Å; V375-V379 PolarHBondContact O-N 3.35Å; G376-V379 PolarHBondContact O-N 2.81Å; A377-V379 PolarHBondContact O-N 2.88Å; V379-V382 PolarHBondContact O-N 2.87Å; V379-F383 WeakPolarHBondContact O-CB 3.45Å; V379-F383 PolarHBondContact O-N 3.48Å
380I95Very high92.2Very high104 Ų10498 Ų9853%0.53354%0.535SS..Hα-helixtrans-61-46.3176-68.7165.6000110.4G376 A377 V382 F383 M384G376-I380 VanDerWaalsContact O-CG1 3.3Å; G376-I380 WeakPolarHBondContact O-CG1 3.45Å; G376-I380 PolarHBondContact O-N 3.36Å; A377-I380 PolarHBondContact O-N 3.46Å; I380-V382 PolarHBondContact O-N 3.49Å; I380-F383 PolarHBondContact O-N 2.92Å; I380-M384 HydrophobicContact CG2-CG 4.36Å; I380-M384 WeakPolarHBondContact O-CG 3.37Å; I380-M384 PolarHBondContact O-N 3.46Å
381V94.8Very high91.1Very high80 Ų8099.6 Ų99.649%0.48554%0.536SS..Hα-helixtrans-60.8-45.5177.7170.70000111.1A377 A378 F383 M384 C385A377-V381 VanDerWaalsContact O-CG2 3.31Å; A377-V381 WeakPolarHBondContact O-CG2 3.4Å; A377-V381 PolarHBondContact O-N 3.32Å; A378-V381 PolarHBondContact O-N 3.34Å; V381-F383 VanDerWaalsContact C-N 3.32Å; V381-F383 PolarHBondContact O-N 2.92Å; V381-M384 PolarHBondContact O-N 3.43Å; V381-C385 WeakPolarHBondContact O-CB 3.44Å; V381-C385 PolarHBondContact O-N 3.47Å; V381-C385 PolarHBondContact O-SG 3.43Å; V381-C385 VanDerWaalsContact O-SG 3.32Å
382V94.2Very high90Very high76 Ų76104.6 Ų104.646%0.46155%0.548SS..Hα-helixtrans-62-41.6176.7170.70000111.2A378 V379 I380 C385 R386A378-V382 VanDerWaalsContact O-CG2 3.29Å; A378-V382 WeakPolarHBondContact O-CG2 3.39Å; A378-V382 PolarHBondContact O-N 3.21Å; V379-V382 PolarHBondContact O-N 2.87Å; I380-V382 PolarHBondContact O-N 3.49Å; V382-C385 PolarHBondContact O-N 3.04Å; V382-R386 WeakPolarHBondContact O-CG 3.3Å; V382-R386 PolarHBondContact O-N 2.92Å
383F93.8Very high88.6Confident141 Ų141105.6 Ų105.662%0.61856%0.555SS**Hα-helixtrans-64.1-45.5177.2-172.9-96.5000111.7V379 I380 V381 R386 C387V379-F383 WeakPolarHBondContact O-CB 3.45Å; V379-F383 PolarHBondContact O-N 3.48Å; I380-F383 PolarHBondContact O-N 2.92Å; V381-F383 VanDerWaalsContact C-N 3.32Å; V381-F383 PolarHBondContact O-N 2.92Å; F383-R386 PolarHBondContact O-N 2.86Å; F383-C387 VanDerWaalsContact CE1-SG 3.53Å; F383-C387 PolarHBondContact O-N 2.97Å; F383-C387 PolarHBondContact O-SG 3.36Å
384M91.9Very high86.8Confident120 Ų120105.3 Ų105.359%0.59156%0.562SS**Hα-helixtrans-61.2-45.5175.5-70.1-145-6600111.6I380 V381 R386 C387 F388I380-M384 HydrophobicContact CG2-CG 4.36Å; I380-M384 WeakPolarHBondContact O-CG 3.37Å; I380-M384 PolarHBondContact O-N 3.46Å; V381-M384 PolarHBondContact O-N 3.43Å; M384-R386 VanDerWaalsContact C-N 3.32Å; M384-R386 PolarHBondContact O-N 3.23Å; M384-C387 PolarHBondContact O-N 3.34Å; M384-F388 WeakPolarHBondContact O-CB 3.12Å; M384-F388 PolarHBondContact O-N 2.86Å
385C90.7Very high84.6Confident76 Ų76113.5 Ų113.551%0.51459%0.593SS.*Hα-helixtrans-59.7-39.7175.7-75.30000112.6V381 V382 K389V381-C385 WeakPolarHBondContact O-CB 3.44Å; V381-C385 PolarHBondContact O-N 3.47Å; V381-C385 PolarHBondContact O-SG 3.43Å; V381-C385 VanDerWaalsContact O-SG 3.32Å; V382-C385 PolarHBondContact O-N 3.04Å; C385-K389 PolarHBondContact O-N 2.84Å
386R89.5Confident84.1Confident175 Ų175114.5 Ų114.566%0.6660%0.595SS**Hα-helixtrans-67.2-41.5175.7-77.8-179.7172.2176.4-0.8112.2V382 F383 M384 K389 R390V382-R386 WeakPolarHBondContact O-CG 3.3Å; V382-R386 PolarHBondContact O-N 2.92Å; F383-R386 PolarHBondContact O-N 2.86Å; M384-R386 VanDerWaalsContact C-N 3.32Å; M384-R386 PolarHBondContact O-N 3.23Å; R386-K389 PolarHBondContact O-N 3.22Å; R386-R390 PolarHBondContact O-N 3.3Å; R386-R390 VanDerWaalsContact O-N 3.07Å
387C86.3Confident83.4Confident51 Ų51118.8 Ų118.835%0.34561%0.609SS.*Hα-helixtrans-64-43.6176.5-670000111.5F383 M384 K389 R390 Q391F383-C387 VanDerWaalsContact CE1-SG 3.53Å; F383-C387 PolarHBondContact O-N 2.97Å; F383-C387 PolarHBondContact O-SG 3.36Å; M384-C387 PolarHBondContact O-N 3.34Å; C387-K389 VanDerWaalsContact C-N 3.35Å; C387-K389 PolarHBondContact O-N 3.38Å; C387-R390 PolarHBondContact O-N 3.39Å; C387-R390 VanDerWaalsContact O-N 3.16Å; C387-Q391 PolarHBondContact O-N 2.87Å
388F83.7Confident82.8Confident136 Ų136122.6 Ų122.660%0.59662%0.619SS**Hα-helixtrans-63.8-38.8177.9-140.6-89.5000112.2M384 K392M384-F388 WeakPolarHBondContact O-CB 3.12Å; M384-F388 PolarHBondContact O-N 2.86Å; F388-K392 PolarHBondContact O-N 3.01Å
389K81.8Confident82Confident164 Ų164126.6 Ų126.671%0.71363%0.629SS**Hα-helixtrans-62-42.7172.1-100.6-174.5175.9-178.90112.4C385 R386 C387 K392 T393C385-K389 PolarHBondContact O-N 2.84Å; R386-K389 PolarHBondContact O-N 3.22Å; C387-K389 VanDerWaalsContact C-N 3.35Å; C387-K389 PolarHBondContact O-N 3.38Å; K389-K392 PolarHBondContact O-N 3.22Å; K389-T393 PolarHBondContact O-N 3.31Å; K389-T393 PolarHBondContact O-OG1 2.88Å
390R77.4Confident81.2Confident197 Ų197128.7 Ų128.774%0.74363%0.633SS**Hα-helixtrans-64.4-39.6179-79.1-176.4175.5178.8-1.8112.8R386 C387 T393 S394R386-R390 PolarHBondContact O-N 3.3Å; R386-R390 VanDerWaalsContact O-N 3.07Å; C387-R390 PolarHBondContact O-N 3.39Å; C387-R390 VanDerWaalsContact O-N 3.16Å; R390-T393 WeakPolarHBondContact CA-OG1 3.47Å; R390-T393 PolarHBondContact O-N 3.21Å; R390-T393 PolarHBondContact O-OG1 2.93Å; R390-S394 PolarHBondContact O-N 3.07Å
391Q73.4Confident80.3Confident132 Ų132130.3 Ų130.362%0.61764%0.64SS**Hα-helixtrans-64.4-38.8175.5-78.3-175.7-2700112.3C387 T393 S394C387-Q391 PolarHBondContact O-N 2.87Å; Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 3.27Å; Q391-S394 PolarHBondContact O-N 3.17Å; Q391-S394 PolarHBondContact O-OG 3.33Å
392K70.1Confident79.2Confident158 Ų158133.9 Ų133.969%0.68765%0.651SS**Hα-helixtrans-66.2-25.1174.7-85.4-171.3174.2-175.40114.4F388 K389F388-K392 PolarHBondContact O-N 3.01Å; K389-K392 PolarHBondContact O-N 3.22Å
393T67.6Low78.1Confident118 Ų118138.4 Ų138.472%0.72467%0.666SS**THydrogen-bonded Turntrans-87.8-6.9176.944.40000114.1K389 R390 Q391K389-T393 PolarHBondContact O-N 3.31Å; K389-T393 PolarHBondContact O-OG1 2.88Å; R390-T393 WeakPolarHBondContact CA-OG1 3.47Å; R390-T393 PolarHBondContact O-N 3.21Å; R390-T393 PolarHBondContact O-OG1 2.93Å; Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 3.27Å
394S58.7Low76.8Confident103 Ų103138.2 Ų138.272%0.7267%0.669SS**  trans-105.66.1176.676.90000114R390 Q391R390-S394 PolarHBondContact O-N 3.07Å; Q391-S394 PolarHBondContact O-N 3.17Å; Q391-S394 PolarHBondContact O-OG 3.33Å
395M50.3Low75.4Confident228 Ų228139.8 Ų139.8100%1.12368%0.677SS**  trans-105.10163.8-86.1-178.561.400108.1

Retrieved 395 of 395 residues in 126 ms (Link to these results)

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