A0A087XZJ8_POEFO Loading...

Small G protein signaling modulator 3

AlphaFold DB (A0A3B3UK90), UniProt , Accession A0A087XZJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 755 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
1M37.2Very low72.9Confident227 Ų22784.5 Ų84.5100%1.11855%0.55SS**  0103.50-72.4178.7168.500107.3G3M1-G3 PolarHBondContact O-N 3.41Å; M1-G3 VanDerWaalsContact O-N 3.14Å
2S43.4Very low74.2Confident133 Ų13379.8 Ų79.893%0.9352%0.521SS*.  trans-87.159.6-177.764.50000110.8
3G59.3Low75.6Confident45 Ų4573.6 Ų73.646%0.46448%0.48SS..PPolyproline II helixtrans-81.6138.6171.800000109.8M1 Y5M1-G3 PolarHBondContact O-N 3.41Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-Y5 WeakPolarHBondContact O-CD2 3.36Å; G3-Y5 WeakPolarHBondContact O-CE2 3.47Å
4T79.3Confident76.7Confident116 Ų11671.2 Ų71.271%0.71247%0.466SS*.PPolyproline II helixtrans-74.7121.5162.6-39.50000107.1
5Y85.7Confident77.7Confident49 Ų4967.1 Ų67.119%0.19244%0.441CS..PPolyproline II helixtrans-87.2135179.8-63.8-86.1000109.8G3 Q23 L26 A27 H30G3-Y5 WeakPolarHBondContact O-CD2 3.36Å; G3-Y5 WeakPolarHBondContact O-CE2 3.47Å; Y5-Q23 PolarHBondContact O-NE2 2.95Å; Y5-Q23 VanDerWaalsContact O-NE2 3.13Å; Y5-L26 HydrophobicContact CG-CB 4.43Å; Y5-A27 HydrophobicContact CD2-CB 3.82Å; Y5-A27 HydrophobicContact CE2-CB 3.4Å; Y5-H30 HydrophobicContact CD1-CB 3.81Å; Y5-H30 AromaticContact CD1-CD2 3.8Å; Y5-H30 AromaticContact CD1-CE1 3.81Å; Y5-H30 AromaticContact CD1-CG 3.42Å; Y5-H30 VanDerWaalsContact CD1-CG 3.42Å; Y5-H30 AromaticContact CD1-ND1 3.43Å; Y5-H30 WeakPolarHBondContact CD1-ND1 3.22Å; Y5-H30 HydrophobicContact CE1-CB 3.59Å; Y5-H30 AromaticContact CE1-CG 3.75Å
6T87.9Confident78.8Confident87 Ų8763.5 Ų63.553%0.53442%0.416SS..  trans-106.1130.7178-57.40000109.2W21T6-W21 HydrophobicContact CG2-CH2 3.75Å; T6-W21 HydrophobicContact CG2-CZ3 3.87Å
7P87.2Confident79.7Confident13 Ų1360.9 Ų60.98%0.08440%0.399CS..PPolyproline II helixtrans-56142.2171.9-27.335.9000112.9S12 F13 W21 L26P7-S12 WeakPolarHBondContact CB-O 3.3Å; P7-F13 HydrophobicContact CG-CB 4.08Å; P7-W21 VanDerWaalsContact CD-CD2 3.42Å; P7-W21 HydrophobicContact CG-CD2 3.84Å; P7-W21 HydrophobicContact CG-CE3 4.45Å; P7-W21 HydrophobicContact CG-CG 4.01Å; P7-W21 HydrophobicContact CG-CZ2 4.29Å; P7-L26 HydrophobicContact CG-CD1 4.08Å; P7-L26 HydrophobicContact CG-CD2 4.18Å
8A83.7Confident80.4Confident66 Ų6662.1 Ų62.155%0.54541%0.406SS..PPolyproline II helixtrans-64.8141.1169.400000110.2G10 G11 S14A8-G10 PolarHBondContact O-N 3.06Å; A8-G11 PolarHBondContact O-N 3.41Å; A8-S14 VanDerWaalsContact O-CB 3.3Å; A8-S14 WeakPolarHBondContact O-CB 3.44Å
9P79.9Confident81.2Confident136 Ų13660 Ų6088%0.88339%0.393SS*.THydrogen-bonded Turntrans-55.6122178.1-26.434.7000112.3G11P9-G11 PolarHBondContact O-N 3.37Å
10G75.6Confident81.9Confident30 Ų3057 Ų5731%0.30937%0.373SS..THydrogen-bonded Turntrans75.74.3-176.500000115A8 S14 P67A8-G10 PolarHBondContact O-N 3.06Å; G10-S14 VanDerWaalsContact CA-OG 3.31Å; G10-S14 WeakPolarHBondContact CA-OG 3.28Å; G10-S14 PolarHBondContact N-OG 3.44Å; G10-P67 VanDerWaalsContact O-CB 3.27Å; G10-P67 WeakPolarHBondContact O-CB 3.43Å; G10-P67 WeakPolarHBondContact O-CG 3.46Å
11G82.5Confident82.5Confident27 Ų2756.4 Ų56.428%0.27836%0.363SS..SBendtrans-90.1-174.3171.400000112.7A8 P9 F13 S14 E44A8-G11 PolarHBondContact O-N 3.41Å; P9-G11 PolarHBondContact O-N 3.37Å; G11-F13 PolarHBondContact O-N 3.05Å; G11-S14 PolarHBondContact N-OG 3.26Å; G11-S14 WeakPolarHBondContact O-CB 3.2Å; G11-S14 PolarHBondContact O-N 3.17Å; G11-S14 VanDerWaalsContact O-N 3.12Å; G11-S14 PolarHBondContact O-OG 3.32Å; G11-E44 WeakPolarHBondContact O-CA 3.42Å
12S88.8Confident85.2Confident28 Ų2845.7 Ų45.720%0.19631%0.311CS..THydrogen-bonded Turntrans-51.8135.6179.1-49.70000112.2P7 S14 Y42 D43P7-S12 WeakPolarHBondContact CB-O 3.3Å; S12-S14 PolarHBondContact O-N 3.41Å; S12-S14 VanDerWaalsContact O-N 3.13Å; S12-Y42 VanDerWaalsContact CB-O 3.31Å; S12-Y42 WeakPolarHBondContact CB-O 3.31Å; S12-Y42 PolarHBondContact OG-O 3.33Å; S12-D43 VanDerWaalsContact CA-O 3.3Å; S12-D43 WeakPolarHBondContact CA-O 3.25Å
13F92.6Very high87.5Confident0 Ų042.2 Ų42.20%028%0.28CS..THydrogen-bonded Turntrans652.6-179.9-40.9-66.9000116.2P7 G11 A15 L16 W21 P22 I25 L26 Y29 Y42 D43 E44 G46 A172P7-F13 HydrophobicContact CG-CB 4.08Å; G11-F13 PolarHBondContact O-N 3.05Å; F13-A15 PolarHBondContact O-N 3.16Å; F13-L16 HydrophobicContact CB-CD1 3.99Å; F13-L16 HydrophobicContact CB-CG 4.35Å; F13-L16 HydrophobicContact CD1-CD1 3.88Å; F13-L16 HydrophobicContact CG-CD1 4.42Å; F13-L16 WeakPolarHBondContact O-CB 3.3Å; F13-L16 PolarHBondContact O-N 3.3Å; F13-L16 VanDerWaalsContact O-N 3.1Å; F13-W21 PolarHBondContact O-NE1 2.85Å; F13-P22 HydrophobicContact CD1-CG 3.78Å; F13-P22 HydrophobicContact CD2-CG 4Å; F13-P22 HydrophobicContact CE1-CG 3.63Å; F13-P22 HydrophobicContact CE2-CG 3.85Å; F13-P22 HydrophobicContact CG-CG 3.96Å; F13-P22 HydrophobicContact CZ-CG 3.65Å; F13-I25 HydrophobicContact CE2-CB 4.48Å; F13-I25 HydrophobicContact CE2-CG2 3.88Å; F13-I25 HydrophobicContact CZ-CD1 4.42Å; F13-I25 HydrophobicContact CZ-CG2 3.99Å; F13-L26 HydrophobicContact CD2-CD2 3.87Å; F13-L26 HydrophobicContact CD2-CG 4.24Å; F13-L26 HydrophobicContact CE2-CD2 4.49Å; F13-Y29 HydrophobicContact CE2-CE2 4.43Å; F13-Y42 HydrophobicContact CE1-CD1 4.4Å; F13-Y42 HydrophobicContact CE1-CD2 4.3Å; F13-Y42 AromaticContact CE1-CG 3.95Å; F13-Y42 HydrophobicContact CE1-CG 3.95Å; F13-Y42 HydrophobicContact CE2-CD2 4.3Å; F13-Y42 HydrophobicContact CZ-CD1 4.37Å; F13-Y42 AromaticContact CZ-CD2 3.51Å; F13-Y42 HydrophobicContact CZ-CD2 3.51Å; F13-Y42 HydrophobicContact CZ-CE2 4.2Å; F13-Y42 AromaticContact CZ-CG 3.61Å; F13-Y42 HydrophobicContact CZ-CG 3.61Å; F13-D43 PolarHBondContact N-O 3.28Å; F13-E44 CarbonylContact C-O 3.54Å; F13-E44 WeakPolarHBondContact CA-O 3.48Å; F13-E44 PolarHBondContact N-O 3.38Å; F13-G46 VanDerWaalsContact CD1-CA 3.43Å; F13-G46 VanDerWaalsContact CE1-CA 3.41Å; F13-A172 HydrophobicContact CE1-CB 3.53Å; F13-A172 HydrophobicContact CZ-CB 3.9Å
14S90.9Very high88.9Confident40 Ų4044.7 Ų44.728%0.2828%0.283SS..THydrogen-bonded Turntrans-68.8-16.2-175.965.20000114.8A8 G10 G11 S12 E44A8-S14 VanDerWaalsContact O-CB 3.3Å; A8-S14 WeakPolarHBondContact O-CB 3.44Å; G10-S14 VanDerWaalsContact CA-OG 3.31Å; G10-S14 WeakPolarHBondContact CA-OG 3.28Å; G10-S14 PolarHBondContact N-OG 3.44Å; G11-S14 PolarHBondContact N-OG 3.26Å; G11-S14 WeakPolarHBondContact O-CB 3.2Å; G11-S14 PolarHBondContact O-N 3.17Å; G11-S14 VanDerWaalsContact O-N 3.12Å; G11-S14 PolarHBondContact O-OG 3.32Å; S12-S14 PolarHBondContact O-N 3.41Å; S12-S14 VanDerWaalsContact O-N 3.13Å; S14-E44 PolarHBondContact N-O 3Å
15A91.8Very high89.3Confident10 Ų1040.1 Ų40.18%0.08325%0.254CS..THydrogen-bonded Turntrans-95.36174.800000113.1F13 E44 F45 H118F13-A15 PolarHBondContact O-N 3.16Å; A15-E44 HydrophobicContact CB-CB 4.08Å; A15-E44 HydrophobicContact CB-CG 3.9Å; A15-E44 WeakPolarHBondContact CB-O 3.46Å; A15-E44 PolarHBondContact N-O 2.83Å; A15-F45 HydrophobicContact CB-CD1 3.65Å; A15-F45 HydrophobicContact CB-CE1 3.54Å; A15-F45 HydrophobicContact CB-CG 4.41Å; A15-F45 HydrophobicContact CB-CZ 4.22Å; A15-H118 PolarHBondContact O-CE1 2.91Å; A15-H118 PolarHBondContact O-NE2 2.9Å
16L94.8Very high89.5Confident9 Ų938 Ų385%0.04725%0.246CC..SBendtrans-91.8148.4177.8-57.8-171.1000111.5F13 M20 W21 F45 L214F13-L16 HydrophobicContact CB-CD1 3.99Å; F13-L16 HydrophobicContact CB-CG 4.35Å; F13-L16 HydrophobicContact CD1-CD1 3.88Å; F13-L16 HydrophobicContact CG-CD1 4.42Å; F13-L16 WeakPolarHBondContact O-CB 3.3Å; F13-L16 PolarHBondContact O-N 3.3Å; F13-L16 VanDerWaalsContact O-N 3.1Å; L16-M20 HydrophobicContact CB-CB 4.41Å; L16-W21 PolarHBondContact O-NE1 3.03Å; L16-F45 WeakPolarHBondContact CD2-O 3.5Å; L16-L214 WeakPolarHBondContact CA-O 3.46Å; L16-L214 HydrophobicContact CD1-CD2 4.43Å; L16-L214 HydrophobicContact CD2-CB 3.75Å; L16-L214 HydrophobicContact CD2-CD1 4.37Å; L16-L214 HydrophobicContact CD2-CD2 3.74Å; L16-L214 HydrophobicContact CD2-CG 4.14Å
17T93.8Very high89.5Confident20 Ų2034.7 Ų34.712%0.12323%0.227CC..  trans-59.1142.6167.9-165.40000110S19 M20 L214 E217T17-S19 WeakPolarHBondContact CG2-OG 3.14Å; T17-S19 PolarHBondContact O-N 2.9Å; T17-M20 HydrophobicContact CG2-CB 4.02Å; T17-M20 HydrophobicContact CG2-CG 3.59Å; T17-M20 WeakPolarHBondContact O-CB 3.49Å; T17-M20 PolarHBondContact O-N 3.39Å; T17-L214 PolarHBondContact N-O 3.37Å; T17-E217 PolarHBondContact OG1-OE1 3.01Å
18P93.6Very high89.3Confident81 Ų8140.1 Ų40.153%0.52625%0.249SC..G310 helixtrans-53.7-32-175-29.636.4000114.7M20 W21P18-M20 PolarHBondContact O-N 2.78Å; P18-W21 HydrophobicContact CB-CD2 4.3Å; P18-W21 HydrophobicContact CB-CE3 4.27Å; P18-W21 HydrophobicContact CB-CH2 4Å; P18-W21 HydrophobicContact CB-CZ2 4.03Å; P18-W21 HydrophobicContact CB-CZ3 4.13Å; P18-W21 HydrophobicContact CG-CH2 4.01Å; P18-W21 HydrophobicContact CG-CZ2 3.87Å; P18-W21 PolarHBondContact O-N 3.3Å
19S94.3Very high89.1Confident23 Ų2340.2 Ų40.216%0.16124%0.236CC..G310 helixtrans-65.8-15.2179.686.30000113.8T17 V180 R184 E217T17-S19 WeakPolarHBondContact CG2-OG 3.14Å; T17-S19 PolarHBondContact O-N 2.9Å; S19-V180 WeakPolarHBondContact O-CG2 3.41Å; S19-R184 VanDerWaalsContact CB-NH2 3.33Å; S19-R184 PolarHBondContact O-NE 2.95Å; S19-R184 PolarHBondContact O-NH2 3.42Å; S19-E217 VanDerWaalsContact CB-OE1 3.28Å; S19-E217 WeakPolarHBondContact CB-OE1 3.27Å; S19-E217 WeakPolarHBondContact CB-OE2 3.46Å; S19-E217 PolarHBondContact OG-OE1 3.46Å; S19-E217 PolarHBondContact OG-OE2 3.33Å
20M95.8Very high89Confident0 Ų038.9 Ų38.90%022%0.218CC..G310 helixtrans-107.84.1179.9-68.4-64.2-72.500114.3L16 T17 P18 P22 C173 F174 V180 R184 L213 L214L16-M20 HydrophobicContact CB-CB 4.41Å; T17-M20 HydrophobicContact CG2-CB 4.02Å; T17-M20 HydrophobicContact CG2-CG 3.59Å; T17-M20 WeakPolarHBondContact O-CB 3.49Å; T17-M20 PolarHBondContact O-N 3.39Å; P18-M20 PolarHBondContact O-N 2.78Å; M20-P22 VanDerWaalsContact O-CD 3.32Å; M20-P22 WeakPolarHBondContact O-CD 3.06Å; M20-C173 HydrophobicContact CE-CB 3.71Å; M20-C173 PolarHBondContact O-SG 3.37Å; M20-C173 VanDerWaalsContact O-SG 3.36Å; M20-F174 HydrophobicContact CE-CE1 4.34Å; M20-F174 HydrophobicContact CE-CE2 4.06Å; M20-F174 HydrophobicContact CE-CZ 3.62Å; M20-V180 VanDerWaalsContact O-CG1 3.31Å; M20-V180 WeakPolarHBondContact O-CG1 3.23Å; M20-R184 VanDerWaalsContact SD-CD 3.57Å; M20-L213 HydrophobicContact CE-CB 4.09Å; M20-L213 WeakPolarHBondContact CG-O 3.48Å; M20-L213 HydrophobicContact SD-CB 4.36Å; M20-L214 HydrophobicContact CE-CD2 4.21Å
21W95.2Very high88.8Confident44 Ų4444.2 Ų44.217%0.16724%0.235CC..  trans-67.7120.3177.7-68.1-11000111.1T6 P7 F13 L16 P18 Q23 L26T6-W21 HydrophobicContact CG2-CH2 3.75Å; T6-W21 HydrophobicContact CG2-CZ3 3.87Å; P7-W21 VanDerWaalsContact CD-CD2 3.42Å; P7-W21 HydrophobicContact CG-CD2 3.84Å; P7-W21 HydrophobicContact CG-CE3 4.45Å; P7-W21 HydrophobicContact CG-CG 4.01Å; P7-W21 HydrophobicContact CG-CZ2 4.29Å; F13-W21 PolarHBondContact O-NE1 2.85Å; L16-W21 PolarHBondContact O-NE1 3.03Å; P18-W21 HydrophobicContact CB-CD2 4.3Å; P18-W21 HydrophobicContact CB-CE3 4.27Å; P18-W21 HydrophobicContact CB-CH2 4Å; P18-W21 HydrophobicContact CB-CZ2 4.03Å; P18-W21 HydrophobicContact CB-CZ3 4.13Å; P18-W21 HydrophobicContact CG-CH2 4.01Å; P18-W21 HydrophobicContact CG-CZ2 3.87Å; P18-W21 PolarHBondContact O-N 3.3Å; W21-Q23 PolarHBondContact O-N 2.65Å; W21-L26 HydrophobicContact CB-CD1 3.81Å; W21-L26 HydrophobicContact CG-CD1 4.38Å
22P93.1Very high87.9Confident3 Ų346.6 Ų46.62%0.01924%0.237CC..  trans-74.191.417930.2-33.1000109.8F13 M20 D24 I25 L26 A172F13-P22 HydrophobicContact CD1-CG 3.78Å; F13-P22 HydrophobicContact CD2-CG 4Å; F13-P22 HydrophobicContact CE1-CG 3.63Å; F13-P22 HydrophobicContact CE2-CG 3.85Å; F13-P22 HydrophobicContact CG-CG 3.96Å; F13-P22 HydrophobicContact CZ-CG 3.65Å; M20-P22 VanDerWaalsContact O-CD 3.32Å; M20-P22 WeakPolarHBondContact O-CD 3.06Å; P22-D24 PolarHBondContact O-N 3.15Å; P22-I25 HydrophobicContact CB-CB 4.2Å; P22-I25 HydrophobicContact CB-CD1 3.92Å; P22-I25 HydrophobicContact CB-CG1 4.15Å; P22-I25 HydrophobicContact CG-CB 4.23Å; P22-I25 HydrophobicContact CG-CD1 4.15Å; P22-I25 PolarHBondContact O-N 2.75Å; P22-I25 VanDerWaalsContact O-N 3.11Å; P22-L26 PolarHBondContact O-N 3.02Å; P22-A172 HydrophobicContact CG-CB 4.43Å
23Q91.9Very high86.3Confident60 Ų6051.1 Ų51.128%0.2826%0.259SS..Hα-helixtrans-60.8-32.4-172.5-68.8-61.5-47.100113.2Y5 W21 A27Y5-Q23 PolarHBondContact O-NE2 2.95Å; Y5-Q23 VanDerWaalsContact O-NE2 3.13Å; W21-Q23 PolarHBondContact O-N 2.65Å; Q23-A27 WeakPolarHBondContact O-CB 3.19Å; Q23-A27 PolarHBondContact O-N 3.09Å
24D88.2Confident84.5Confident97 Ų9757.5 Ų57.552%0.51930%0.301SS..Hα-helixtrans-66.1-38.3176.162.9-52000112.5P22 K28P22-D24 PolarHBondContact O-N 3.15Å; D24-K28 WeakPolarHBondContact O-CG 3.4Å; D24-K28 PolarHBondContact O-N 3.26Å
25I89.1Confident82.6Confident20 Ų2060.1 Ų60.110%0.10332%0.324CS..Hα-helixtrans-76.2-44.8176.8-58.9176.6000110.2F13 P22 A27 K28 Y29 Y42 A172F13-I25 HydrophobicContact CE2-CB 4.48Å; F13-I25 HydrophobicContact CE2-CG2 3.88Å; F13-I25 HydrophobicContact CZ-CD1 4.42Å; F13-I25 HydrophobicContact CZ-CG2 3.99Å; P22-I25 HydrophobicContact CB-CB 4.2Å; P22-I25 HydrophobicContact CB-CD1 3.92Å; P22-I25 HydrophobicContact CB-CG1 4.15Å; P22-I25 HydrophobicContact CG-CB 4.23Å; P22-I25 HydrophobicContact CG-CD1 4.15Å; P22-I25 PolarHBondContact O-N 2.75Å; P22-I25 VanDerWaalsContact O-N 3.11Å; I25-A27 VanDerWaalsContact C-N 3.29Å; I25-A27 PolarHBondContact O-N 3.02Å; I25-K28 WeakPolarHBondContact O-CB 3.18Å; I25-K28 PolarHBondContact O-N 3.15Å; I25-K28 VanDerWaalsContact O-N 3.11Å; I25-Y29 HydrophobicContact CG2-CE1 4.19Å; I25-Y29 PolarHBondContact O-N 2.84Å; I25-Y29 VanDerWaalsContact O-N 3.1Å; I25-Y42 HydrophobicContact CD1-CE2 4.16Å; I25-Y42 HydrophobicContact CG2-CD2 4.38Å; I25-Y42 HydrophobicContact CG2-CE2 4.14Å; I25-A172 HydrophobicContact CD1-CB 3.68Å
26L88.5Confident80.7Confident5 Ų565.5 Ų65.53%0.02635%0.348CS..Hα-helixtrans-61-38.6177.2-73.7170.3000112.1Y5 P7 F13 W21 P22 K28 Y29 H30Y5-L26 HydrophobicContact CG-CB 4.43Å; P7-L26 HydrophobicContact CG-CD1 4.08Å; P7-L26 HydrophobicContact CG-CD2 4.18Å; F13-L26 HydrophobicContact CD2-CD2 3.87Å; F13-L26 HydrophobicContact CD2-CG 4.24Å; F13-L26 HydrophobicContact CE2-CD2 4.49Å; W21-L26 HydrophobicContact CB-CD1 3.81Å; W21-L26 HydrophobicContact CG-CD1 4.38Å; P22-L26 PolarHBondContact O-N 3.02Å; L26-K28 VanDerWaalsContact C-N 3.3Å; L26-K28 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 2.89Å; L26-H30 PolarHBondContact O-N 2.79Å; L26-H30 VanDerWaalsContact O-N 3.14Å; L26-H30 PolarHBondContact O-ND1 2.8Å
27A87.3Confident78.7Confident16 Ų1672.2 Ų72.213%0.13238%0.379CS..Hα-helixtrans-59.4-41.4174.600000111.9Y5 Q23 I25 H30 Q31Y5-A27 HydrophobicContact CD2-CB 3.82Å; Y5-A27 HydrophobicContact CE2-CB 3.4Å; Q23-A27 WeakPolarHBondContact O-CB 3.19Å; Q23-A27 PolarHBondContact O-N 3.09Å; I25-A27 VanDerWaalsContact C-N 3.29Å; I25-A27 PolarHBondContact O-N 3.02Å; A27-H30 PolarHBondContact O-N 3.05Å; A27-Q31 WeakPolarHBondContact O-CB 3.33Å; A27-Q31 VanDerWaalsContact O-CG 3.22Å; A27-Q31 WeakPolarHBondContact O-CG 3.38Å; A27-Q31 PolarHBondContact O-N 3.32Å; A27-Q31 VanDerWaalsContact O-N 3.13Å
28K83.6Confident77Confident127 Ų12773.3 Ų73.355%0.55239%0.386SS*.Hα-helixtrans-64.8-40.5176.8-69.1172.6-177.1178.50112.1D24 I25 L26 H30 Q31 K32D24-K28 WeakPolarHBondContact O-CG 3.4Å; D24-K28 PolarHBondContact O-N 3.26Å; I25-K28 WeakPolarHBondContact O-CB 3.18Å; I25-K28 PolarHBondContact O-N 3.15Å; I25-K28 VanDerWaalsContact O-N 3.11Å; L26-K28 VanDerWaalsContact C-N 3.3Å; L26-K28 PolarHBondContact O-N 3.4Å; K28-H30 VanDerWaalsContact C-N 3.25Å; K28-H30 PolarHBondContact O-N 2.87Å; K28-Q31 PolarHBondContact O-N 2.79Å; K28-K32 PolarHBondContact O-N 3.25Å
29Y80.6Confident75.5Confident68 Ų6878.3 Ų78.327%0.26740%0.403SS..Hα-helixtrans-63.5-32.1176.9-76.89.8000112.5F13 I25 L26 P38 Q40 Y42F13-Y29 HydrophobicContact CE2-CE2 4.43Å; I25-Y29 HydrophobicContact CG2-CE1 4.19Å; I25-Y29 PolarHBondContact O-N 2.84Å; I25-Y29 VanDerWaalsContact O-N 3.1Å; L26-Y29 PolarHBondContact O-N 2.89Å; Y29-P38 HydrophobicContact CD1-CB 4.04Å; Y29-P38 HydrophobicContact CE1-CB 3.47Å; Y29-P38 VanDerWaalsContact CE1-CB 3.47Å; Y29-P38 HydrophobicContact CE1-CG 3.95Å; Y29-Q40 PolarHBondContact OH-O 2.82Å; Y29-Y42 WeakPolarHBondContact OH-CD2 3.24Å
30H76.6Confident74.5Confident109 Ų10981.9 Ų81.951%0.50542%0.417SS..Hα-helixtrans-83.3-15.9176.9-72.379.9000114Y5 L26 A27 K28Y5-H30 HydrophobicContact CD1-CB 3.81Å; Y5-H30 AromaticContact CD1-CD2 3.8Å; Y5-H30 AromaticContact CD1-CE1 3.81Å; Y5-H30 AromaticContact CD1-CG 3.42Å; Y5-H30 VanDerWaalsContact CD1-CG 3.42Å; Y5-H30 AromaticContact CD1-ND1 3.43Å; Y5-H30 WeakPolarHBondContact CD1-ND1 3.22Å; Y5-H30 HydrophobicContact CE1-CB 3.59Å; Y5-H30 AromaticContact CE1-CG 3.75Å; L26-H30 PolarHBondContact O-N 2.79Å; L26-H30 VanDerWaalsContact O-N 3.14Å; L26-H30 PolarHBondContact O-ND1 2.8Å; A27-H30 PolarHBondContact O-N 3.05Å; K28-H30 VanDerWaalsContact C-N 3.25Å; K28-H30 PolarHBondContact O-N 2.87Å
31Q72.6Confident73.9Confident142 Ų14285.1 Ų85.166%0.66443%0.432SS*.Hα-helixtrans-95.3-22.1-177.4-7517219.400113.9A27 K28A27-Q31 WeakPolarHBondContact O-CB 3.33Å; A27-Q31 VanDerWaalsContact O-CG 3.22Å; A27-Q31 WeakPolarHBondContact O-CG 3.38Å; A27-Q31 PolarHBondContact O-N 3.32Å; A27-Q31 VanDerWaalsContact O-N 3.13Å; K28-Q31 PolarHBondContact O-N 2.79Å
32K62.7Low73.6Confident77 Ų7783.9 Ų83.934%0.33543%0.427SS..SBendtrans-78.4140.9179.6-81.9-169.9165.1-163.70112.3K28 E36 Q37K28-K32 PolarHBondContact O-N 3.25Å; K32-E36 HydrophobicContact CD-CB 4.29Å; K32-Q37 PolarHBondContact NZ-O 2.88Å
33D56.2Low73.5Confident123 Ų12384.7 Ų84.766%0.65843%0.432SS*.  trans-59.9140.8169.2-133.2-22000108.8A35 E36D33-A35 PolarHBondContact O-N 3.48Å; D33-E36 PolarHBondContact O-N 3.43Å
34P55.2Low73.4Confident134 Ų13482.7 Ų82.787%0.8742%0.422SS*.THydrogen-bonded Turntrans-57.4-12.6-177.6-23.432.9000115
35A50Low73.6Confident94 Ų9478.3 Ų78.378%0.77740%0.399SS*.THydrogen-bonded Turntrans-86.7-16.417800000114.3D33D33-A35 PolarHBondContact O-N 3.48Å
36E51.6Low73.8Confident123 Ų12377.3 Ų77.358%0.57539%0.394SS*.SBendtrans-97.9109175.5-77.9-170.5171.800110.6K32 D33K32-E36 HydrophobicContact CD-CB 4.29Å; D33-E36 PolarHBondContact O-N 3.43Å
37Q53.7Low74Confident151 Ų15179.1 Ų79.171%0.70640%0.401SS*.  trans-60.5136.7173.2-69.5-178.60.200110.3K32K32-Q37 PolarHBondContact NZ-O 2.88Å
38P57.4Low74.1Confident42 Ų4282.5 Ų82.527%0.27341%0.411SS..  trans-61.7140.2172.723.4-30.4000110.3Y29 Q40 Q41Y29-P38 HydrophobicContact CD1-CB 4.04Å; Y29-P38 HydrophobicContact CE1-CB 3.47Å; Y29-P38 VanDerWaalsContact CE1-CB 3.47Å; Y29-P38 HydrophobicContact CE1-CG 3.95Å; P38-Q40 PolarHBondContact O-N 3.36Å; P38-Q40 VanDerWaalsContact O-N 3.1Å; P38-Q41 HydrophobicContact CG-CG 4.18Å
39E62.2Low74.1Confident186 Ų18678.2 Ų78.287%0.86939%0.393SS*.SBendtrans-59.7-24-178.4-70.8176.5170.800112.9
40Q73.1Confident73.6Confident98 Ų9877.1 Ų77.146%0.45839%0.392SS..SBendtrans-139.1128.6176.4-67.8178.51.300109.7Y29 P38 Y42Y29-Q40 PolarHBondContact OH-O 2.82Å; P38-Q40 PolarHBondContact O-N 3.36Å; P38-Q40 VanDerWaalsContact O-N 3.1Å; Q40-Y42 HydrophobicContact CB-CE2 4.14Å; Q40-Y42 PolarHBondContact OE1-OH 3.04Å
41Q83.8Confident72.7Confident68 Ų6875.6 Ų75.632%0.31839%0.391SS..EExtended strand (participates in β ladder)trans-100.5145174.6-69.6-174.47.900110.6P38 R48 I49P38-Q41 HydrophobicContact CG-CG 4.18Å; Q41-R48 WeakPolarHBondContact O-CA 2.92Å; Q41-I49 HydrophobicContact CB-CB 4.26Å; Q41-I49 PolarHBondContact O-N 2.69Å
42Y89.4Confident71.4Confident18 Ų1873 Ų737%0.07138%0.378CS..EExtended strand (participates in β ladder)trans-128.4148.4177.9-61.4-84.8000111S12 F13 I25 Y29 Q40 G46 F47 R48 A172S12-Y42 VanDerWaalsContact CB-O 3.31Å; S12-Y42 WeakPolarHBondContact CB-O 3.31Å; S12-Y42 PolarHBondContact OG-O 3.33Å; F13-Y42 HydrophobicContact CE1-CD1 4.4Å; F13-Y42 HydrophobicContact CE1-CD2 4.3Å; F13-Y42 AromaticContact CE1-CG 3.95Å; F13-Y42 HydrophobicContact CE1-CG 3.95Å; F13-Y42 HydrophobicContact CE2-CD2 4.3Å; F13-Y42 HydrophobicContact CZ-CD1 4.37Å; F13-Y42 AromaticContact CZ-CD2 3.51Å; F13-Y42 HydrophobicContact CZ-CD2 3.51Å; F13-Y42 HydrophobicContact CZ-CE2 4.2Å; F13-Y42 AromaticContact CZ-CG 3.61Å; F13-Y42 HydrophobicContact CZ-CG 3.61Å; I25-Y42 HydrophobicContact CD1-CE2 4.16Å; I25-Y42 HydrophobicContact CG2-CD2 4.38Å; I25-Y42 HydrophobicContact CG2-CE2 4.14Å; Y29-Y42 WeakPolarHBondContact OH-CD2 3.24Å; Q40-Y42 HydrophobicContact CB-CE2 4.14Å; Q40-Y42 PolarHBondContact OE1-OH 3.04Å; Y42-G46 WeakPolarHBondContact CD1-O 3.18Å; Y42-F47 CarbonylContact C-O 3.06Å; Y42-F47 VanDerWaalsContact CA-O 3.24Å; Y42-F47 WeakPolarHBondContact CA-O 3.08Å; Y42-R48 HydrophobicContact CD1-CB 4.16Å; Y42-R48 HydrophobicContact CE1-CB 3.98Å; Y42-R48 HydrophobicContact CE1-CG 4.44Å; Y42-A172 HydrophobicContact CD1-CB 3.93Å; Y42-A172 HydrophobicContact CE1-CB 3.62Å; Y42-A172 HydrophobicContact CE2-CB 4.4Å; Y42-A172 HydrophobicContact CG-CB 4.45Å
43D89.9Confident70.3Confident21 Ų2177.5 Ų77.511%0.11241%0.406CS..  trans-77.5-179.617372.78.3000112.6S12 F13 F45 G46 F47 I49S12-D43 VanDerWaalsContact CA-O 3.3Å; S12-D43 WeakPolarHBondContact CA-O 3.25Å; F13-D43 PolarHBondContact N-O 3.28Å; D43-F45 PolarHBondContact O-N 2.63Å; D43-F45 VanDerWaalsContact O-N 3.16Å; D43-F45 VanDerWaalsContact OD1-C 3.26Å; D43-F45 WeakPolarHBondContact OD1-CA 3.4Å; D43-F45 PolarHBondContact OD1-N 3.47Å; D43-G46 PolarHBondContact O-N 2.91Å; D43-G46 PolarHBondContact OD1-N 3.41Å; D43-F47 PolarHBondContact N-O 2.99Å; D43-F47 PolarHBondContact OD1-N 3.26Å; D43-I49 HydrophobicContact CB-CD1 4.21Å; D43-I49 HydrophobicContact CB-CG1 4.36Å
44E90.3Very high69.5Low18 Ų1878.7 Ų78.78%0.08441%0.412CS..THydrogen-bonded Turntrans-61.8-20.6179.868.1-87.8-153.500114G11 F13 S14 A15 R293G11-E44 WeakPolarHBondContact O-CA 3.42Å; F13-E44 CarbonylContact C-O 3.54Å; F13-E44 WeakPolarHBondContact CA-O 3.48Å; F13-E44 PolarHBondContact N-O 3.38Å; S14-E44 PolarHBondContact N-O 3Å; A15-E44 HydrophobicContact CB-CB 4.08Å; A15-E44 HydrophobicContact CB-CG 3.9Å; A15-E44 WeakPolarHBondContact CB-O 3.46Å; A15-E44 PolarHBondContact N-O 2.83Å; E44-R293 IonicContact OE1-CZ 3.66Å; E44-R293 IonicContact OE1-NE 2.71Å; E44-R293 PolarHBondContact OE1-NE 3.44Å; E44-R293 IonicContact OE1-NH2 3.63Å; E44-R293 PolarHBondContact OE1-NH2 3.22Å; E44-R293 IonicContact OE2-NH2 2.61Å
45F92.9Very high68.9Low4 Ų475.5 Ų75.52%0.01840%0.404CS..THydrogen-bonded Turntrans-98.51178.4-57.6-73000112.8A15 L16 D43 F47 N171 F215 I292 R293 L296A15-F45 HydrophobicContact CB-CD1 3.65Å; A15-F45 HydrophobicContact CB-CE1 3.54Å; A15-F45 HydrophobicContact CB-CG 4.41Å; A15-F45 HydrophobicContact CB-CZ 4.22Å; L16-F45 WeakPolarHBondContact CD2-O 3.5Å; D43-F45 PolarHBondContact O-N 2.63Å; D43-F45 VanDerWaalsContact O-N 3.16Å; D43-F45 VanDerWaalsContact OD1-C 3.26Å; D43-F45 WeakPolarHBondContact OD1-CA 3.4Å; D43-F45 PolarHBondContact OD1-N 3.47Å; F45-F47 HydrophobicContact CB-CD2 3.73Å; F45-F47 HydrophobicContact CB-CE2 3.87Å; F45-N171 PolarHBondContact O-ND2 3.31Å; F45-F215 AromaticContact CD1-CE1 3.61Å; F45-F215 HydrophobicContact CD1-CE1 3.61Å; F45-F215 AromaticContact CD1-CZ 3.68Å; F45-F215 HydrophobicContact CD1-CZ 3.68Å; F45-F215 AromaticContact CE1-CE1 3.78Å; F45-F215 HydrophobicContact CE1-CE1 3.78Å; F45-F215 AromaticContact CE1-CZ 3.98Å; F45-F215 HydrophobicContact CE1-CZ 3.98Å; F45-I292 HydrophobicContact CB-CG2 4.22Å; F45-I292 HydrophobicContact CD1-CG1 4.2Å; F45-I292 HydrophobicContact CD1-CG2 4.24Å; F45-I292 HydrophobicContact CD2-CG2 3.3Å; F45-I292 HydrophobicContact CE1-CG2 4.48Å; F45-I292 HydrophobicContact CE2-CG2 3.59Å; F45-I292 HydrophobicContact CG-CG1 4.23Å; F45-I292 HydrophobicContact CG-CG2 3.66Å; F45-I292 HydrophobicContact CZ-CG2 4.18Å; F45-R293 HydrophobicContact CE2-CG 3.9Å; F45-R293 HydrophobicContact CZ-CG 4.26Å; F45-L296 HydrophobicContact CE1-CD1 3.9Å; F45-L296 HydrophobicContact CZ-CD1 4.16Å
46G92.7Very high68.3Low0 Ų078.3 Ų78.30%040%0.401CS..SBendtrans80.515.8177.500000115.4F13 Y42 D43 N171 A172F13-G46 VanDerWaalsContact CD1-CA 3.43Å; F13-G46 VanDerWaalsContact CE1-CA 3.41Å; Y42-G46 WeakPolarHBondContact CD1-O 3.18Å; D43-G46 PolarHBondContact O-N 2.91Å; D43-G46 PolarHBondContact OD1-N 3.41Å; G46-N171 CarbonylContact O-C 3.54Å; G46-N171 VanDerWaalsContact O-CA 3.32Å; G46-N171 WeakPolarHBondContact O-CA 3.5Å; G46-N171 PolarHBondContact O-ND2 3.47Å; G46-A172 PolarHBondContact O-N 3.22Å
47F92Very high67.6Low42 Ų4275.5 Ų75.518%0.18439%0.394CS..BIsolated β-bridgetrans-83140.7171.2-64.8-87.1000111.2Y42 D43 F45 M168 N171 L214 I292Y42-F47 CarbonylContact C-O 3.06Å; Y42-F47 VanDerWaalsContact CA-O 3.24Å; Y42-F47 WeakPolarHBondContact CA-O 3.08Å; D43-F47 PolarHBondContact N-O 2.99Å; D43-F47 PolarHBondContact OD1-N 3.26Å; F45-F47 HydrophobicContact CB-CD2 3.73Å; F45-F47 HydrophobicContact CB-CE2 3.87Å; F47-M168 HydrophobicContact CD1-CE 4.46Å; F47-M168 HydrophobicContact CE1-CE 3.37Å; F47-M168 HydrophobicContact CE2-CE 4.27Å; F47-M168 HydrophobicContact CZ-CE 3.24Å; F47-N171 HydrophobicContact CD1-CB 3.99Å; F47-N171 HydrophobicContact CE1-CB 4.08Å; F47-L214 HydrophobicContact CE2-CD1 4.33Å; F47-L214 HydrophobicContact CZ-CD1 4.45Å; F47-I292 HydrophobicContact CE2-CB 4.09Å; F47-I292 HydrophobicContact CE2-CD1 4.26Å; F47-I292 HydrophobicContact CE2-CG1 4.15Å; F47-I292 HydrophobicContact CE2-CG2 4.33Å; F47-I292 HydrophobicContact CZ-CD1 4.39Å
48R89.4Confident67Low87 Ų8774 Ų7433%0.32838%0.384SS..EExtended strand (participates in β ladder)trans-67133.5-179.6-170.6178.968-157.6-5111.3Q41 Y42 D50 R60 T170Q41-R48 WeakPolarHBondContact O-CA 2.92Å; Y42-R48 HydrophobicContact CD1-CB 4.16Å; Y42-R48 HydrophobicContact CE1-CB 3.98Å; Y42-R48 HydrophobicContact CE1-CG 4.44Å; R48-D50 IonicContact CZ-OD1 2.96Å; R48-D50 IonicContact NE-OD1 3.61Å; R48-D50 PolarHBondContact NE-OD1 3.46Å; R48-D50 IonicContact NH2-OD1 3.76Å; R48-R60 VanDerWaalsContact NH2-NH2 3.16Å; R48-T170 PolarHBondContact N-O 3.12Å
49I84.1Confident66.2Low37 Ų3775.3 Ų75.319%0.1939%0.389CS..EExtended strand (participates in β ladder)trans-96.8120.1171.3-53.3173.7000106.9Q41 D43Q41-I49 HydrophobicContact CB-CB 4.26Å; Q41-I49 PolarHBondContact O-N 2.69Å; D43-I49 HydrophobicContact CB-CD1 4.21Å; D43-I49 HydrophobicContact CB-CG1 4.36Å
50D71Confident65Low46 Ų4672.1 Ų72.125%0.24637%0.369CS..PPolyproline II helixtrans-81.2143.7174.9-67.9-9.4000109.3R48 K58 R60R48-D50 IonicContact CZ-OD1 2.96Å; R48-D50 IonicContact NE-OD1 3.61Å; R48-D50 PolarHBondContact NE-OD1 3.46Å; R48-D50 IonicContact NH2-OD1 3.76Å; D50-K58 CarbonylContact C-O 3.56Å; D50-K58 CarbonylContact O-C 3.59Å; D50-K58 VanDerWaalsContact O-C 3.3Å; D50-K58 PolarHBondContact O-N 3.26Å; D50-R60 HydrophobicContact CB-CG 4.28Å; D50-R60 IonicContact OD1-CZ 2.86Å; D50-R60 IonicContact OD1-NE 2.69Å; D50-R60 PolarHBondContact OD1-NE 3.1Å; D50-R60 IonicContact OD1-NH2 3.43Å; D50-R60 IonicContact OD2-CZ 3.57Å; D50-R60 IonicContact OD2-NE 2.8Å; D50-R60 PolarHBondContact OD2-NE 2.79Å; D50-R60 IonicContact OD2-NH2 3.54Å; D50-R60 PolarHBondContact OD2-NH2 2.85Å
51V55.9Low63.4Low77 Ų7773.8 Ų73.847%0.46738%0.38SS..  trans-120.3136.9178.9-173.10000108.2P57V51-P57 HydrophobicContact CG1-CB 4.39Å; V51-P57 HydrophobicContact CG2-CB 4.49Å
52E46.1Very low61.4Low87 Ų8771.5 Ų71.541%0.40738%0.375SS..  trans-93.9160.7179.3-118.2170.9-177.800112.7D54 G55 E56 K58E52-D54 PolarHBondContact O-N 2.73Å; E52-D54 VanDerWaalsContact O-N 3.16Å; E52-G55 PolarHBondContact O-N 3Å; E52-E56 WeakPolarHBondContact CB-O 3.43Å; E52-E56 PolarHBondContact N-O 3.27Å; E52-K58 HydrophobicContact CB-CB 3.8Å; E52-K58 VanDerWaalsContact CD-CD 3.41Å; E52-K58 HydrophobicContact CG-CB 3.66Å; E52-K58 HydrophobicContact CG-CD 3.88Å; E52-K58 HydrophobicContact CG-CG 4.03Å; E52-K58 WeakPolarHBondContact OE1-CD 3.3Å; E52-K58 WeakPolarHBondContact OE1-CE 3.35Å; E52-K58 IonicContact OE1-NZ 2.85Å; E52-K58 PolarHBondContact OE1-NZ 2.77Å
53D39.6Very low59Low172 Ų17273 Ų7392%0.9239%0.386SS*.THydrogen-bonded Turntrans-63.5-13.7-176.3-108.3-17.2000114.4G55D53-G55 VanDerWaalsContact C-N 3.28Å; D53-G55 PolarHBondContact O-N 3.02Å
54D39.4Very low56.4Low148 Ų14881 Ų8179%0.79142%0.422SS*.THydrogen-bonded Turntrans-87.38179.4-70.7-22.1000113.3E52 E56E52-D54 PolarHBondContact O-N 2.73Å; E52-D54 VanDerWaalsContact O-N 3.16Å; D54-E56 PolarHBondContact O-N 3.05Å; D54-E56 VanDerWaalsContact O-N 3.13Å
55G43Very low54Low67 Ų6781.9 Ų81.969%0.69144%0.437SS*.SBendtrans72.8-3.7-176.900000114E52 D53E52-G55 PolarHBondContact O-N 3Å; D53-G55 VanDerWaalsContact C-N 3.28Å; D53-G55 PolarHBondContact O-N 3.02Å
56E37.6Very low51.7Low152 Ų15286.5 Ų86.571%0.7147%0.469SS*.SBendtrans-90.6129.5162.9-68.3-136.5154.100109.6E52 D54 K58E52-E56 WeakPolarHBondContact CB-O 3.43Å; E52-E56 PolarHBondContact N-O 3.27Å; D54-E56 PolarHBondContact O-N 3.05Å; D54-E56 VanDerWaalsContact O-N 3.13Å; E56-K58 PolarHBondContact O-N 3.44Å
57P36.3Very low49.9Very low65 Ų6589.4 Ų89.442%0.42249%0.488SS..  trans-63.1125.8178.124.3-30.4000109.5V51 I59V51-P57 HydrophobicContact CG1-CB 4.39Å; V51-P57 HydrophobicContact CG2-CB 4.49Å; P57-I59 HydrophobicContact CG-CG1 4.37Å; P57-I59 PolarHBondContact O-N 3.49Å
58K40.5Very low48.2Very low118 Ų11892.5 Ų92.551%0.51350%0.503SS..  trans-68.877.8162.4-153.6-175.9-159.4150.80107.5D50 E52 E56 R60D50-K58 CarbonylContact C-O 3.56Å; D50-K58 CarbonylContact O-C 3.59Å; D50-K58 VanDerWaalsContact O-C 3.3Å; D50-K58 PolarHBondContact O-N 3.26Å; E52-K58 HydrophobicContact CB-CB 3.8Å; E52-K58 VanDerWaalsContact CD-CD 3.41Å; E52-K58 HydrophobicContact CG-CB 3.66Å; E52-K58 HydrophobicContact CG-CD 3.88Å; E52-K58 HydrophobicContact CG-CG 4.03Å; E52-K58 WeakPolarHBondContact OE1-CD 3.3Å; E52-K58 WeakPolarHBondContact OE1-CE 3.35Å; E52-K58 IonicContact OE1-NZ 2.85Å; E52-K58 PolarHBondContact OE1-NZ 2.77Å; E56-K58 PolarHBondContact O-N 3.44Å; K58-R60 PolarHBondContact O-N 2.95Å
59I40.7Very low46.9Very low71 Ų7199.2 Ų99.236%0.36453%0.529SS..  trans-47.3108.6171.8-60.4166.9000105.4P57 L61P57-I59 HydrophobicContact CG-CG1 4.37Å; P57-I59 PolarHBondContact O-N 3.49Å; I59-L61 PolarHBondContact O-N 3.36Å
60R37.1Very low46.5Very low119 Ų119100.3 Ų100.345%0.44953%0.533SS..  trans-56103.9158.3-78.1-169.6-177.4-153.2-2.9104.2R48 D50 K58 G62 T170R48-R60 VanDerWaalsContact NH2-NH2 3.16Å; D50-R60 HydrophobicContact CB-CG 4.28Å; D50-R60 IonicContact OD1-CZ 2.86Å; D50-R60 IonicContact OD1-NE 2.69Å; D50-R60 PolarHBondContact OD1-NE 3.1Å; D50-R60 IonicContact OD1-NH2 3.43Å; D50-R60 IonicContact OD2-CZ 3.57Å; D50-R60 IonicContact OD2-NE 2.8Å; D50-R60 PolarHBondContact OD2-NE 2.79Å; D50-R60 IonicContact OD2-NH2 3.54Å; D50-R60 PolarHBondContact OD2-NH2 2.85Å; K58-R60 PolarHBondContact O-N 2.95Å; R60-G62 PolarHBondContact O-N 3.13Å; R60-T170 VanDerWaalsContact NH1-CG2 3.27Å
61L39.6Very low47Very low133 Ų133101.5 Ų101.570%0.69654%0.539SS*.THydrogen-bonded Turntrans-20.492.8-176.7-116.875.2000112I59 K346I59-L61 PolarHBondContact O-N 3.36Å; L61-K346 VanDerWaalsContact C-CE 3.47Å; L61-K346 VanDerWaalsContact O-CE 3.24Å; L61-K346 WeakPolarHBondContact O-CE 3.5Å; L61-K346 PolarHBondContact O-NZ 2.9Å
62G41.1Very low48.5Very low20 Ų20102.6 Ų102.621%0.20655%0.548CS..THydrogen-bonded Turntrans176.2-33.9-179.300000118.3R60 E64R60-G62 PolarHBondContact O-N 3.13Å; G62-E64 PolarHBondContact O-N 3.22Å
63T40.6Very low50.4Low50 Ų50104.6 Ų104.631%0.30756%0.557SS.*  trans-103.941.3-171.423.10000114.2G65T63-G65 VanDerWaalsContact C-N 3.27Å; T63-G65 PolarHBondContact O-N 2.78Å; T63-G65 VanDerWaalsContact O-N 3.12Å
64E34.8Very low52.8Low188 Ų18898.3 Ų98.388%0.87952%0.522SS*.  trans-77.488153-82.1-16416300108.1G62G62-E64 PolarHBondContact O-N 3.22Å
65G40.6Very low55.2Low37 Ų3795.2 Ų95.238%0.38150%0.499SS..SBendtrans173.4123.3171.100000110.4T63T63-G65 VanDerWaalsContact C-N 3.27Å; T63-G65 PolarHBondContact O-N 2.78Å; T63-G65 VanDerWaalsContact O-N 3.12Å
66S43.9Very low57.5Low101 Ų10197.2 Ų97.271%0.70649%0.494SS*.SBendtrans-35.6146.8162.352.80000111.3Q68S66-Q68 PolarHBondContact O-N 3.39Å; S66-Q68 VanDerWaalsContact O-N 3.16Å
67P53.7Low60.2Low60 Ų6097 Ų9739%0.3949%0.486SS..  trans-43.7128.7175.2-25.631.5000109.6G10 R69G10-P67 VanDerWaalsContact O-CB 3.27Å; G10-P67 WeakPolarHBondContact O-CB 3.43Å; G10-P67 WeakPolarHBondContact O-CG 3.46Å; P67-R69 PolarHBondContact O-N 3.33Å
68Q57Low62.9Low107 Ų10793.9 Ų93.950%0.547%0.466SS..  trans-66.387.1-174.3-166.6173.1-12.500109S66 E70S66-Q68 PolarHBondContact O-N 3.39Å; S66-Q68 VanDerWaalsContact O-N 3.16Å; Q68-E70 PolarHBondContact O-N 3.09Å
69R61.9Low65.4Low229 Ų22991.5 Ų91.586%0.86446%0.457SS*.  trans-68.2123171.3-74.5-175.5177.1-178.90.4106.5P67 D71P67-R69 PolarHBondContact O-N 3.33Å; R69-D71 PolarHBondContact O-N 3.49Å
70E75.2Confident67.7Low59 Ų5990.5 Ų90.528%0.27646%0.459SS..  trans-50.8126173.3-171.2177.9153.700109.3Q68 P72 R75 P117 S119Q68-E70 PolarHBondContact O-N 3.09Å; E70-P72 WeakPolarHBondContact O-CD 3.2Å; E70-P72 VanDerWaalsContact O-N 3.16Å; E70-R75 WeakPolarHBondContact OE1-CB 3.21Å; E70-R75 WeakPolarHBondContact OE1-CD 3.38Å; E70-R75 VanDerWaalsContact OE1-CG 3.25Å; E70-R75 WeakPolarHBondContact OE1-CG 3.38Å; E70-R75 IonicContact OE1-CZ 3.41Å; E70-R75 IonicContact OE1-NE 3.42Å; E70-R75 IonicContact OE1-NH1 3.29Å; E70-R75 PolarHBondContact OE1-NH1 3.22Å; E70-R75 IonicContact OE2-NH1 2.72Å; E70-P117 HydrophobicContact CG-CB 3.73Å; E70-P117 WeakPolarHBondContact OE1-CB 3.13Å; E70-S119 PolarHBondContact OE1-OG 3.12Å; E70-S119 WeakPolarHBondContact OE2-CB 3.39Å; E70-S119 PolarHBondContact OE2-OG 3.05Å
71D82.8Confident70.3Confident72 Ų7286.2 Ų86.239%0.38544%0.444SS..  trans-64.6113.1177.1172.69000109.1R69 Q73 Q74 R75R69-D71 PolarHBondContact O-N 3.49Å; D71-Q73 PolarHBondContact O-N 2.93Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.17Å; D71-Q73 PolarHBondContact OD1-N 3.07Å; D71-Q74 HydrophobicContact CB-CB 3.86Å; D71-Q74 PolarHBondContact O-N 2.9Å; D71-Q74 WeakPolarHBondContact OD2-CB 3.27Å; D71-Q74 PolarHBondContact OD2-N 3.47Å; D71-R75 PolarHBondContact O-N 3.35Å
72P85.9Confident72.8Confident99 Ų9980 Ų8064%0.64341%0.412SS*.Hα-helixtrans-61.6-31.7-177.8-22.334.8000112.6E70 L76E70-P72 WeakPolarHBondContact O-CD 3.2Å; E70-P72 VanDerWaalsContact O-N 3.16Å; P72-L76 WeakPolarHBondContact O-CB 3.49Å; P72-L76 PolarHBondContact O-N 2.79Å
73Q87.6Confident75Confident129 Ų12983.6 Ų83.660%0.60342%0.423SS*.Hα-helixtrans-70.7-41.7179-63.9-170.6-1.800111.1D71 L76 R77D71-Q73 PolarHBondContact O-N 2.93Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.17Å; D71-Q73 PolarHBondContact OD1-N 3.07Å; Q73-L76 PolarHBondContact O-N 2.69Å; Q73-R77 VanDerWaalsContact O-CG 3.31Å; Q73-R77 WeakPolarHBondContact O-CG 3.14Å; Q73-R77 PolarHBondContact O-N 2.95Å
74Q88.8Confident77.2Confident41 Ų4189.7 Ų89.719%0.19245%0.446CS..Hα-helixtrans-62-44.9174.5-175.716932.500111.4D71 L76 R77 W78 G114 G115 P117D71-Q74 HydrophobicContact CB-CB 3.86Å; D71-Q74 PolarHBondContact O-N 2.9Å; D71-Q74 WeakPolarHBondContact OD2-CB 3.27Å; D71-Q74 PolarHBondContact OD2-N 3.47Å; Q74-L76 PolarHBondContact O-N 3.02Å; Q74-R77 WeakPolarHBondContact O-CB 3.31Å; Q74-R77 PolarHBondContact O-N 3.09Å; Q74-W78 PolarHBondContact O-N 2.95Å; Q74-W78 VanDerWaalsContact O-N 3.17Å; Q74-G114 PolarHBondContact NE2-O 3.36Å; Q74-G115 VanDerWaalsContact NE2-C 3.29Å; Q74-G115 VanDerWaalsContact NE2-CA 3.29Å; Q74-G115 PolarHBondContact NE2-O 3.03Å; Q74-P117 HydrophobicContact CG-CG 4.27Å
75R90.8Very high79.6Confident82 Ų8283.1 Ų83.131%0.30942%0.418SS..Hα-helixtrans-57.8-47.3174.9-173.7-172.4-179.577.9-5111.8E70 D71 R77 W78 Q79 P117 S119 M120E70-R75 WeakPolarHBondContact OE1-CB 3.21Å; E70-R75 WeakPolarHBondContact OE1-CD 3.38Å; E70-R75 VanDerWaalsContact OE1-CG 3.25Å; E70-R75 WeakPolarHBondContact OE1-CG 3.38Å; E70-R75 IonicContact OE1-CZ 3.41Å; E70-R75 IonicContact OE1-NE 3.42Å; E70-R75 IonicContact OE1-NH1 3.29Å; E70-R75 PolarHBondContact OE1-NH1 3.22Å; E70-R75 IonicContact OE2-NH1 2.72Å; D71-R75 PolarHBondContact O-N 3.35Å; R75-R77 VanDerWaalsContact C-N 3.3Å; R75-R77 PolarHBondContact O-N 2.87Å; R75-W78 WeakPolarHBondContact O-CB 3.08Å; R75-W78 PolarHBondContact O-N 2.97Å; R75-W78 VanDerWaalsContact O-N 3.12Å; R75-Q79 HydrophobicContact CG-CG 4.49Å; R75-Q79 WeakPolarHBondContact O-CG 3.44Å; R75-Q79 PolarHBondContact O-N 2.81Å; R75-P117 HydrophobicContact CB-CB 4.42Å; R75-P117 HydrophobicContact CB-CG 4.25Å; R75-S119 PolarHBondContact NH1-OG 3.22Å; R75-M120 HydrophobicContact CG-SD 4.27Å
76L91.6Very high81.5Confident110 Ų11082.4 Ų82.458%0.57641%0.405SS*.Hα-helixtrans-61.5-38.2179.4-173.566000112P72 Q73 Q74 W78 Q79 A80P72-L76 WeakPolarHBondContact O-CB 3.49Å; P72-L76 PolarHBondContact O-N 2.79Å; Q73-L76 PolarHBondContact O-N 2.69Å; Q74-L76 PolarHBondContact O-N 3.02Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-W78 PolarHBondContact O-N 3.2Å; L76-Q79 PolarHBondContact O-N 2.81Å; L76-A80 VanDerWaalsContact O-CB 3.3Å; L76-A80 WeakPolarHBondContact O-CB 3.49Å; L76-A80 PolarHBondContact O-N 3.37Å
77R92.8Very high83.1Confident146 Ų14679.7 Ų79.755%0.55138%0.383SS*.Hα-helixtrans-62.3-38.6175-71.6171.6-174.3-177.25.2112.4Q73 Q74 R75 H81 L111Q73-R77 VanDerWaalsContact O-CG 3.31Å; Q73-R77 WeakPolarHBondContact O-CG 3.14Å; Q73-R77 PolarHBondContact O-N 2.95Å; Q74-R77 WeakPolarHBondContact O-CB 3.31Å; Q74-R77 PolarHBondContact O-N 3.09Å; R75-R77 VanDerWaalsContact C-N 3.3Å; R75-R77 PolarHBondContact O-N 2.87Å; R77-H81 WeakPolarHBondContact O-CB 3.15Å; R77-H81 PolarHBondContact O-N 2.83Å; R77-H81 VanDerWaalsContact O-N 3.14Å; R77-L111 HydrophobicContact CB-CD2 4.03Å
78W94.4Very high84.1Confident1 Ų184.6 Ų84.60%0.00440%0.4CS..Hα-helixtrans-69.2-45.8175.2-86.697.9000112.1Q74 R75 L76 H81 L82 L108 L111 V112 G115 I116 P117 M120 L124Q74-W78 PolarHBondContact O-N 2.95Å; Q74-W78 VanDerWaalsContact O-N 3.17Å; R75-W78 WeakPolarHBondContact O-CB 3.08Å; R75-W78 PolarHBondContact O-N 2.97Å; R75-W78 VanDerWaalsContact O-N 3.12Å; L76-W78 VanDerWaalsContact C-N 3.32Å; L76-W78 PolarHBondContact O-N 3.2Å; W78-H81 PolarHBondContact O-N 3.27Å; W78-L82 WeakPolarHBondContact O-CG 3.19Å; W78-L82 PolarHBondContact O-N 2.89Å; W78-L108 HydrophobicContact CH2-CD1 3.68Å; W78-L108 HydrophobicContact CZ3-CD1 3.63Å; W78-L111 HydrophobicContact CD2-CB 4.26Å; W78-L111 HydrophobicContact CD2-CD1 4.43Å; W78-L111 HydrophobicContact CE3-CD1 4.42Å; W78-L111 HydrophobicContact CH2-CB 4.04Å; W78-L111 HydrophobicContact CZ2-CB 3.59Å; W78-V112 HydrophobicContact CH2-CG2 3.7Å; W78-V112 HydrophobicContact CZ2-CG2 4.01Å; W78-G115 PolarHBondContact NE1-O 2.74Å; W78-I116 HydrophobicContact CH2-CG1 4.17Å; W78-I116 HydrophobicContact CZ2-CG1 3.71Å; W78-P117 HydrophobicContact CB-CG 4.47Å; W78-P117 HydrophobicContact CG-CG 4.19Å; W78-M120 HydrophobicContact CB-CE 3.85Å; W78-M120 HydrophobicContact CB-SD 3.79Å; W78-M120 HydrophobicContact CG-SD 4.44Å; W78-L124 HydrophobicContact CD2-CD1 4.24Å; W78-L124 HydrophobicContact CE3-CD1 3.76Å; W78-L124 HydrophobicContact CE3-CD2 4.43Å; W78-L124 HydrophobicContact CH2-CD1 4.19Å; W78-L124 HydrophobicContact CZ3-CD1 3.74Å; W78-L124 HydrophobicContact CZ3-CD2 4.04Å
79Q91.8Very high84.8Confident68 Ų6883.7 Ų83.732%0.31840%0.402SS..Hα-helixtrans-57.6-51.1175.8-72.5176.6-37.400111.2R75 L76 H81 L82 E83R75-Q79 HydrophobicContact CG-CG 4.49Å; R75-Q79 WeakPolarHBondContact O-CG 3.44Å; R75-Q79 PolarHBondContact O-N 2.81Å; L76-Q79 PolarHBondContact O-N 2.81Å; Q79-H81 VanDerWaalsContact C-N 3.28Å; Q79-H81 PolarHBondContact O-N 2.85Å; Q79-L82 PolarHBondContact O-N 2.8Å; Q79-E83 WeakPolarHBondContact O-CB 3.46Å; Q79-E83 WeakPolarHBondContact O-CG 3.19Å; Q79-E83 PolarHBondContact O-N 2.85Å
80A90.4Very high84.9Confident50 Ų5080.5 Ų80.541%0.41341%0.408SS..Hα-helixtrans-59.7-37.2178.600000112.7L76 F84L76-A80 VanDerWaalsContact O-CB 3.3Å; L76-A80 WeakPolarHBondContact O-CB 3.49Å; L76-A80 PolarHBondContact O-N 3.37Å; A80-F84 VanDerWaalsContact O-CB 3.26Å; A80-F84 WeakPolarHBondContact O-CB 3.29Å; A80-F84 PolarHBondContact O-N 2.97Å
81H91.1Very high84.7Confident28 Ų2879.9 Ų79.913%0.1342%0.417CS..Hα-helixtrans-65.9-48.5175.617946.3000111.9R77 W78 Q79 F84 T85 L111R77-H81 WeakPolarHBondContact O-CB 3.15Å; R77-H81 PolarHBondContact O-N 2.83Å; R77-H81 VanDerWaalsContact O-N 3.14Å; W78-H81 PolarHBondContact O-N 3.27Å; Q79-H81 VanDerWaalsContact C-N 3.28Å; Q79-H81 PolarHBondContact O-N 2.85Å; H81-F84 PolarHBondContact O-N 3.31Å; H81-T85 PolarHBondContact CE1-OG1 2.69Å; H81-T85 WeakPolarHBondContact O-CB 3.15Å; H81-T85 PolarHBondContact O-N 3.16Å; H81-T85 PolarHBondContact O-OG1 3.35Å; H81-L111 HydrophobicContact CB-CD1 3.57Å; H81-L111 WeakPolarHBondContact CD2-CD1 3.44Å; H81-L111 VanDerWaalsContact CG-CD1 3.48Å
82L91.2Very high84.6Confident4 Ų483.8 Ų83.82%0.02144%0.438CS..Hα-helixtrans-65.3-40.9-179.7-66.2172.7000111.7W78 Q79 T85 H86 L93 W95 I98 M120W78-L82 WeakPolarHBondContact O-CG 3.19Å; W78-L82 PolarHBondContact O-N 2.89Å; Q79-L82 PolarHBondContact O-N 2.8Å; L82-T85 PolarHBondContact O-N 3.3Å; L82-H86 WeakPolarHBondContact O-CB 3.46Å; L82-H86 PolarHBondContact O-N 2.78Å; L82-L93 HydrophobicContact CB-CD2 3.72Å; L82-W95 HydrophobicContact CD1-CH2 3.97Å; L82-W95 HydrophobicContact CD1-CZ3 4.06Å; L82-I98 HydrophobicContact CB-CD1 4.29Å; L82-I98 HydrophobicContact CD1-CD1 4.12Å; L82-I98 HydrophobicContact CD2-CD1 4.34Å; L82-I98 HydrophobicContact CG-CD1 4.49Å; L82-M120 HydrophobicContact CD1-CE 3.59Å
83E88.3Confident84.5Confident94 Ų9481 Ų8144%0.43942%0.417SS..Hα-helixtrans-61.2-49.3175.1-76.1175.4-178.300111.4Q79 T85 N87 L93Q79-E83 WeakPolarHBondContact O-CB 3.46Å; Q79-E83 WeakPolarHBondContact O-CG 3.19Å; Q79-E83 PolarHBondContact O-N 2.85Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 2.93Å; E83-N87 WeakPolarHBondContact O-CA 3.39Å; E83-N87 WeakPolarHBondContact O-CB 3.42Å; E83-N87 PolarHBondContact O-N 2.76Å; E83-L93 HydrophobicContact CG-CB 4.07Å; E83-L93 HydrophobicContact CG-CD2 3.9Å
84F86.3Confident84.5Confident179 Ų17978 Ų7879%0.78541%0.408SS*.Hα-helixtrans-65.6-34.1-179.5-173.7-95.2000112.9A80 H81A80-F84 VanDerWaalsContact O-CB 3.26Å; A80-F84 WeakPolarHBondContact O-CB 3.29Å; A80-F84 PolarHBondContact O-N 2.97Å; H81-F84 PolarHBondContact O-N 3.31Å
85T84.8Confident84.6Confident49 Ų4979.8 Ų79.830%0.30141%0.413SS..Hα-helixtrans-86.2-33-175.4-59.70000113.3H81 L82 E83H81-T85 PolarHBondContact CE1-OG1 2.69Å; H81-T85 WeakPolarHBondContact O-CB 3.15Å; H81-T85 PolarHBondContact O-N 3.16Å; H81-T85 PolarHBondContact O-OG1 3.35Å; L82-T85 PolarHBondContact O-N 3.3Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 2.93Å
86H81.4Confident84.4Confident23 Ų2382.1 Ų82.111%0.10643%0.431CS..Hα-helixtrans-122.4-15.3-171-61.5-78.8000114.8L82 H88 L93 I98 D99 L102L82-H86 WeakPolarHBondContact O-CB 3.46Å; L82-H86 PolarHBondContact O-N 2.78Å; H86-H88 PolarHBondContact O-N 3.39Å; H86-L93 HydrophobicContact CB-CD1 4.48Å; H86-I98 HydrophobicContact CB-CG1 4.32Å; H86-D99 IonicContact CE1-OD2 2.86Å; H86-D99 IonicContact ND1-OD2 3.71Å; H86-L102 WeakPolarHBondContact NE2-CD2 3.4Å
87N78Confident84.1Confident43 Ų4380.9 Ų80.923%0.2343%0.425CS..  trans-86.694.6179.3-160.33.9000111.1E83 T89 G91 L93E83-N87 WeakPolarHBondContact O-CA 3.39Å; E83-N87 WeakPolarHBondContact O-CB 3.42Å; E83-N87 PolarHBondContact O-N 2.76Å; N87-T89 PolarHBondContact OD1-N 3.29Å; N87-T89 PolarHBondContact OD1-O 2.92Å; N87-T89 PolarHBondContact OD1-OG1 2.89Å; N87-G91 PolarHBondContact ND2-O 2.69Å; N87-L93 HydrophobicContact CB-CD1 4.11Å
88H73.7Confident84.1Confident164 Ų16474.1 Ų74.176%0.75940%0.4SS*.  trans-100.95.1175.7-59.2-53000113.4H86H86-H88 PolarHBondContact O-N 3.39Å
89T71.6Confident83.9Confident88 Ų8878.5 Ų78.554%0.5442%0.423SS..SBendtrans-122.9157.8-173.4500000112.2N87 G91N87-T89 PolarHBondContact OD1-N 3.29Å; N87-T89 PolarHBondContact OD1-O 2.92Å; N87-T89 PolarHBondContact OD1-OG1 2.89Å; T89-G91 PolarHBondContact O-N 3.24Å
90V63.8Low83.8Confident162 Ų16276.8 Ų76.898%0.98242%0.418SS*.SBendtrans-76.6103.3173.6-176.70000108.7
91G72.6Confident83.8Confident45 Ų4577.3 Ų77.346%0.46442%0.416SS..SBendtrans160.6170.917800000113.1N87 T89N87-G91 PolarHBondContact ND2-O 2.69Å; T89-G91 PolarHBondContact O-N 3.24Å
92D79Confident83.7Confident154 Ų15476.7 Ų76.782%0.82441%0.413SS*.  trans-69.1137.6175.5-66.5-24.9000110.7T94D92-T94 PolarHBondContact O-N 2.96Å
93L84.1Confident83.5Confident40 Ų4080.5 Ų80.521%0.20944%0.439CS..  trans-70.5123.6177.5-177.271.1000110.5L82 E83 H86 N87 L97 I98L82-L93 HydrophobicContact CB-CD2 3.72Å; E83-L93 HydrophobicContact CG-CB 4.07Å; E83-L93 HydrophobicContact CG-CD2 3.9Å; H86-L93 HydrophobicContact CB-CD1 4.48Å; N87-L93 HydrophobicContact CB-CD1 4.11Å; L93-L97 HydrophobicContact CD1-CB 4.16Å; L93-I98 HydrophobicContact CD1-CD1 4.47Å; L93-I98 HydrophobicContact CD1-CG1 4.01Å; L93-I98 HydrophobicContact CD2-CD1 3.93Å; L93-I98 HydrophobicContact CD2-CG1 4.29Å; L93-I98 HydrophobicContact CG-CD1 4.24Å; L93-I98 HydrophobicContact CG-CG1 4.31Å
94T87.6Confident83.5Confident67 Ų6783.1 Ų83.141%0.41145%0.451SS..  trans-111.8159.3170.964.90000110.7D92 D96 L97D92-T94 PolarHBondContact O-N 2.96Å; T94-D96 PolarHBondContact O-N 2.77Å; T94-L97 PolarHBondContact O-N 2.85Å; T94-L97 VanDerWaalsContact O-N 3.11Å
95W91.1Very high83.7Confident78 Ų7876.9 Ų76.930%0.29543%0.429SS..G310 helixtrans-60.5-27.2179.2-69.7111.4000113.1L82 L97 I98 M120 Q123 L124 R127L82-W95 HydrophobicContact CD1-CH2 3.97Å; L82-W95 HydrophobicContact CD1-CZ3 4.06Å; W95-L97 PolarHBondContact O-N 2.99Å; W95-I98 HydrophobicContact CD2-CD1 4.39Å; W95-I98 HydrophobicContact CE3-CD1 3.56Å; W95-I98 HydrophobicContact CZ3-CD1 3.76Å; W95-I98 PolarHBondContact O-N 3.39Å; W95-M120 HydrophobicContact CH2-CB 4.47Å; W95-M120 HydrophobicContact CH2-CE 3.8Å; W95-M120 HydrophobicContact CZ2-CB 4.46Å; W95-M120 HydrophobicContact CZ2-CE 4.12Å; W95-M120 HydrophobicContact CZ2-CG 4.49Å; W95-Q123 HydrophobicContact CD2-CB 3.56Å; W95-Q123 HydrophobicContact CD2-CG 3.58Å; W95-Q123 HydrophobicContact CE3-CB 3.54Å; W95-Q123 HydrophobicContact CE3-CG 4.09Å; W95-Q123 HydrophobicContact CG-CB 4.27Å; W95-Q123 HydrophobicContact CG-CG 3.8Å; W95-Q123 HydrophobicContact CH2-CB 3.71Å; W95-Q123 HydrophobicContact CZ2-CB 3.71Å; W95-Q123 HydrophobicContact CZ2-CG 4.08Å; W95-Q123 HydrophobicContact CZ3-CB 3.63Å; W95-L124 HydrophobicContact CH2-CD2 4.28Å; W95-L124 HydrophobicContact CH2-CG 4.06Å; W95-L124 HydrophobicContact CZ3-CD2 4.17Å; W95-L124 HydrophobicContact CZ3-CG 4.34Å; W95-R127 PolarHBondContact O-NH2 3.15Å
96D86.2Confident84Confident131 Ų13181.4 Ų81.470%0.70145%0.447SS*.G310 helixtrans-68.1-24178.5-61.9-54.7000113.3T94 I98T94-D96 PolarHBondContact O-N 2.77Å; D96-I98 VanDerWaalsContact C-N 3.34Å
97L87.1Confident84.5Confident85 Ų8586.9 Ų86.945%0.44547%0.467SS..G310 helixtrans-84.2-9.4176.1-61.6175.4000113.1L93 T94 W95L93-L97 HydrophobicContact CD1-CB 4.16Å; T94-L97 PolarHBondContact O-N 2.85Å; T94-L97 VanDerWaalsContact O-N 3.11Å; W95-L97 PolarHBondContact O-N 2.99Å
98I90.9Very high85.2Confident4 Ų485 Ų852%0.02146%0.457CS..SBendtrans-95.7128.6178.9-58.8171.9000109.2L82 H86 L93 W95 D96 L102 R127L82-I98 HydrophobicContact CB-CD1 4.29Å; L82-I98 HydrophobicContact CD1-CD1 4.12Å; L82-I98 HydrophobicContact CD2-CD1 4.34Å; L82-I98 HydrophobicContact CG-CD1 4.49Å; H86-I98 HydrophobicContact CB-CG1 4.32Å; L93-I98 HydrophobicContact CD1-CD1 4.47Å; L93-I98 HydrophobicContact CD1-CG1 4.01Å; L93-I98 HydrophobicContact CD2-CD1 3.93Å; L93-I98 HydrophobicContact CD2-CG1 4.29Å; L93-I98 HydrophobicContact CG-CD1 4.24Å; L93-I98 HydrophobicContact CG-CG1 4.31Å; W95-I98 HydrophobicContact CD2-CD1 4.39Å; W95-I98 HydrophobicContact CE3-CD1 3.56Å; W95-I98 HydrophobicContact CZ3-CD1 3.76Å; W95-I98 PolarHBondContact O-N 3.39Å; D96-I98 VanDerWaalsContact C-N 3.34Å; I98-L102 HydrophobicContact CG2-CD2 3.81Å; I98-R127 PolarHBondContact O-NE 3.37Å; I98-R127 PolarHBondContact O-NH2 2.94Å
99D90.1Very high86.2Confident92 Ų9282.1 Ų82.149%0.49244%0.439SS..  trans-52.4148.5-177.5-72.3-44.9000113.3H86 V101 R127H86-D99 IonicContact CE1-OD2 2.86Å; H86-D99 IonicContact ND1-OD2 3.71Å; D99-V101 PolarHBondContact O-N 3.4Å; D99-V101 VanDerWaalsContact O-N 3.14Å; D99-R127 VanDerWaalsContact O-CD 3.24Å; D99-R127 WeakPolarHBondContact O-CD 3.41Å; D99-R127 PolarHBondContact O-NE 3.15Å
100P89.9Confident87.2Confident33 Ų3380.8 Ų80.821%0.21443%0.434CS..SBendtrans-60.6-20.4177-22.431.8000114.8R127 L132 Q133P100-R127 WeakPolarHBondContact O-CA 3.47Å; P100-L132 HydrophobicContact CB-CD2 4.46Å; P100-L132 HydrophobicContact CB-CG 4.26Å; P100-Q133 HydrophobicContact CB-CB 4.2Å
101V91Very high88.7Confident60 Ų6073.6 Ų73.636%0.36439%0.39SS..SBendtrans-131.6131.4179.7-177.80000107.9D99 Q133D99-V101 PolarHBondContact O-N 3.4Å; D99-V101 VanDerWaalsContact O-N 3.14Å; V101-Q133 HydrophobicContact CG2-CB 3.78Å; V101-Q133 HydrophobicContact CG2-CG 4.16Å; V101-Q133 VanDerWaalsContact CG2-OE1 3.23Å
102L90.1Very high89.8Confident15 Ų1571.5 Ų71.58%0.07937%0.368CS..PPolyproline II helixtrans-93.2125.8176.8-64.8175.5000109.9H86 I98 L108 L124 R127 L128H86-L102 WeakPolarHBondContact NE2-CD2 3.4Å; I98-L102 HydrophobicContact CG2-CD2 3.81Å; L102-L108 HydrophobicContact CB-CD2 4.04Å; L102-L124 HydrophobicContact CD1-CD2 3.8Å; L102-R127 HydrophobicContact CD1-CB 4.19Å; L102-R127 HydrophobicContact CG-CB 4.01Å; L102-L128 HydrophobicContact CB-CD2 4.4Å; L102-L128 HydrophobicContact CD1-CD2 3.98Å; L102-L128 HydrophobicContact CD1-CG 4.42Å
103P86.8Confident90.4Very high85 Ų8566.7 Ų66.755%0.55234%0.342SS*.PPolyproline II helixtrans-65.9138.3177.427.6-33.3000110.3S105 L108P103-S105 PolarHBondContact O-N 3.37Å; P103-L108 WeakPolarHBondContact O-CD2 3.18Å
104Q87.6Confident90.7Very high148 Ų14866.9 Ų66.969%0.69235%0.353SS*.PPolyproline II helixtrans-65.7134.2176.6-68.1-163.3-3.200110.6Y304Q104-Y304 HydrophobicContact CG-CE2 4.07Å; Q104-Y304 PolarHBondContact NE2-O 3.41Å
105S91.2Very high90.9Very high48 Ų4863.7 Ų63.734%0.33633%0.333SS..  trans-147.2156.9174.4690000110P103 R107 L108 R109 Y304P103-S105 PolarHBondContact O-N 3.37Å; S105-R107 PolarHBondContact O-N 3.49Å; S105-L108 PolarHBondContact O-N 3.23Å; S105-L108 VanDerWaalsContact OG-CB 3.25Å; S105-L108 WeakPolarHBondContact OG-CB 3.31Å; S105-L108 PolarHBondContact OG-N 2.85Å; S105-R109 WeakPolarHBondContact O-CB 3.35Å; S105-R109 PolarHBondContact O-N 3.49Å; S105-Y304 PolarHBondContact O-OH 3.04Å
106E89.6Confident91.1Very high144 Ų14460.1 Ų60.167%0.67332%0.32SS*.Hα-helixtrans-62.5-33.9175.8-177.1165.1-145.300111.9R109 S110E106-R109 WeakPolarHBondContact O-CB 3.19Å; E106-R109 PolarHBondContact O-N 3.47Å; E106-R109 IonicContact OE1-NH2 3.06Å; E106-R109 PolarHBondContact OE1-NH2 3.05Å; E106-S110 WeakPolarHBondContact O-CB 3.48Å; E106-S110 PolarHBondContact O-N 3.34Å
107R92.4Very high91.5Very high139 Ų13954 Ų5453%0.52529%0.288SS..Hα-helixtrans-64.7-47.2175.6-175.957.8175.7-179.1-0.6111.5S105 R109 S110 L111S105-R107 PolarHBondContact O-N 3.49Å; R107-R109 VanDerWaalsContact C-N 3.34Å; R107-S110 PolarHBondContact O-N 3.09Å; R107-L111 HydrophobicContact CG-CD1 4.46Å; R107-L111 WeakPolarHBondContact O-CG 3.35Å; R107-L111 PolarHBondContact O-N 3.23Å
108L94Very high91.7Very high4 Ų452.9 Ų52.92%0.02128%0.28CS..Hα-helixtrans-61.4-44.3175.9-178.459.2000110.7W78 L102 P103 S105 S110 L111 V112 L128 Y304W78-L108 HydrophobicContact CH2-CD1 3.68Å; W78-L108 HydrophobicContact CZ3-CD1 3.63Å; L102-L108 HydrophobicContact CB-CD2 4.04Å; P103-L108 WeakPolarHBondContact O-CD2 3.18Å; S105-L108 PolarHBondContact O-N 3.23Å; S105-L108 VanDerWaalsContact OG-CB 3.25Å; S105-L108 WeakPolarHBondContact OG-CB 3.31Å; S105-L108 PolarHBondContact OG-N 2.85Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 2.97Å; L108-L111 PolarHBondContact O-N 3.44Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L108-V112 HydrophobicContact CD1-CG2 4.25Å; L108-V112 HydrophobicContact CG-CG2 4.44Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.02Å; L108-L128 HydrophobicContact CD1-CD2 4.5Å; L108-L128 HydrophobicContact CD2-CD2 4.1Å; L108-Y304 HydrophobicContact CD2-CD2 4.35Å; L108-Y304 HydrophobicContact CD2-CE2 3.73Å; L108-Y304 HydrophobicContact CG-CD2 4.45Å; L108-Y304 HydrophobicContact CG-CE2 3.84Å
109R93.4Very high91.8Very high102 Ų10255.5 Ų55.539%0.38530%0.299SS..Hα-helixtrans-54.2-47.3173.6-175.6178.47694.8-0.4112S105 E106 R107 L111 V112 L113 Y304S105-R109 WeakPolarHBondContact O-CB 3.35Å; S105-R109 PolarHBondContact O-N 3.49Å; E106-R109 WeakPolarHBondContact O-CB 3.19Å; E106-R109 PolarHBondContact O-N 3.47Å; E106-R109 IonicContact OE1-NH2 3.06Å; E106-R109 PolarHBondContact OE1-NH2 3.05Å; R107-R109 VanDerWaalsContact C-N 3.34Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 3.11Å; R109-V112 PolarHBondContact O-N 3.43Å; R109-L113 HydrophobicContact CG-CD1 4.03Å; R109-L113 WeakPolarHBondContact O-CB 3.47Å; R109-L113 WeakPolarHBondContact O-CG 3.32Å; R109-L113 PolarHBondContact O-N 2.86Å; R109-Y304 HydrophobicContact CB-CE1 3.69Å; R109-Y304 HydrophobicContact CG-CE1 3.87Å; R109-Y304 PolarHBondContact N-OH 3.45Å
110S93.9Very high92Very high61 Ų6151.4 Ų51.443%0.42728%0.277SS..Hα-helixtrans-62.6-40178.4176.40000112.2E106 R107 L108 G114E106-S110 WeakPolarHBondContact O-CB 3.48Å; E106-S110 PolarHBondContact O-N 3.34Å; R107-S110 PolarHBondContact O-N 3.09Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-S110 PolarHBondContact O-N 2.97Å; S110-G114 PolarHBondContact O-N 3.43Å
111L95.1Very high92.3Very high11 Ų1150.2 Ų50.26%0.05827%0.268CS..Hα-helixtrans-66.9-43.8176.6-70.7171000112.2R77 W78 H81 R107 L108 R109 G114 G115R77-L111 HydrophobicContact CB-CD2 4.03Å; W78-L111 HydrophobicContact CD2-CB 4.26Å; W78-L111 HydrophobicContact CD2-CD1 4.43Å; W78-L111 HydrophobicContact CE3-CD1 4.42Å; W78-L111 HydrophobicContact CH2-CB 4.04Å; W78-L111 HydrophobicContact CZ2-CB 3.59Å; H81-L111 HydrophobicContact CB-CD1 3.57Å; H81-L111 WeakPolarHBondContact CD2-CD1 3.44Å; H81-L111 VanDerWaalsContact CG-CD1 3.48Å; R107-L111 HydrophobicContact CG-CD1 4.46Å; R107-L111 WeakPolarHBondContact O-CG 3.35Å; R107-L111 PolarHBondContact O-N 3.23Å; L108-L111 PolarHBondContact O-N 3.44Å; L108-L111 VanDerWaalsContact O-N 3.14Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 3.11Å; L111-G114 CarbonylContact O-C 3.43Å; L111-G114 PolarHBondContact O-N 3.28Å; L111-G115 PolarHBondContact O-N 3.22Å
112V95.1Very high92.5Very high0 Ų049.1 Ų49.10%026%0.262CS..Hα-helixtrans-64.3-41.9176.6178.90000111.1W78 L108 R109 G114 G115 L128 D300 L301 Y304W78-V112 HydrophobicContact CH2-CG2 3.7Å; W78-V112 HydrophobicContact CZ2-CG2 4.01Å; L108-V112 HydrophobicContact CD1-CG2 4.25Å; L108-V112 HydrophobicContact CG-CG2 4.44Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.02Å; R109-V112 PolarHBondContact O-N 3.43Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 2.96Å; V112-G115 WeakPolarHBondContact O-CA 3.44Å; V112-G115 PolarHBondContact O-N 3.41Å; V112-L128 HydrophobicContact CG2-CD1 4.46Å; V112-D300 HydrophobicContact CG1-CB 4.33Å; V112-D300 WeakPolarHBondContact CG1-O 3.38Å; V112-L301 HydrophobicContact CG1-CD2 3.9Å; V112-Y304 HydrophobicContact CB-CD1 4.27Å; V112-Y304 HydrophobicContact CB-CG 4.41Å; V112-Y304 HydrophobicContact CG1-CD1 4.25Å; V112-Y304 HydrophobicContact CG1-CG 4.25Å; V112-Y304 HydrophobicContact CG2-CD1 4.32Å; V112-Y304 HydrophobicContact CG2-CD2 4.36Å; V112-Y304 HydrophobicContact CG2-CG 4.05Å
113L91.9Very high92.8Very high54 Ų5451.4 Ų51.428%0.28327%0.273SS..Hα-helixtrans-61.5-38.8173-75.9167.6000111.9R109 G115 R297 L301 M356R109-L113 HydrophobicContact CG-CD1 4.03Å; R109-L113 WeakPolarHBondContact O-CB 3.47Å; R109-L113 WeakPolarHBondContact O-CG 3.32Å; R109-L113 PolarHBondContact O-N 2.86Å; L113-G115 VanDerWaalsContact C-N 3.28Å; L113-G115 PolarHBondContact O-N 3.34Å; L113-R297 PolarHBondContact O-NH2 3.08Å; L113-L301 HydrophobicContact CD2-CD2 3.69Å; L113-L301 HydrophobicContact CG-CD2 4.21Å; L113-M356 HydrophobicContact CD2-CE 4.32Å; L113-M356 HydrophobicContact CD2-CG 4.23Å; L113-M356 HydrophobicContact CD2-SD 4.07Å
114G90.8Very high93.3Very high43 Ų4347.4 Ų47.444%0.44325%0.246SC..Hα-helixtrans-64-35.1171.100000112.3Q74 S110 L111 V112 R297Q74-G114 PolarHBondContact NE2-O 3.36Å; S110-G114 PolarHBondContact O-N 3.43Å; L111-G114 CarbonylContact O-C 3.43Å; L111-G114 PolarHBondContact O-N 3.28Å; V112-G114 VanDerWaalsContact C-N 3.3Å; V112-G114 PolarHBondContact O-N 2.96Å; G114-R297 PolarHBondContact O-NH1 2.7Å; G114-R297 PolarHBondContact O-NH2 3.24Å; G114-R297 VanDerWaalsContact O-NH2 3.15Å
115G92Very high93.8Very high0 Ų040.3 Ų40.30%021%0.213CC..  trans122.6154.3175.500000113.8Q74 W78 L111 V112 L113 R297Q74-G115 VanDerWaalsContact NE2-C 3.29Å; Q74-G115 VanDerWaalsContact NE2-CA 3.29Å; Q74-G115 PolarHBondContact NE2-O 3.03Å; W78-G115 PolarHBondContact NE1-O 2.74Å; L111-G115 PolarHBondContact O-N 3.22Å; V112-G115 WeakPolarHBondContact O-CA 3.44Å; V112-G115 PolarHBondContact O-N 3.41Å; L113-G115 VanDerWaalsContact C-N 3.28Å; L113-G115 PolarHBondContact O-N 3.34Å; G115-R297 VanDerWaalsContact N-NH2 3.16Å
116I94.8Very high94.2Very high3 Ų338.2 Ų38.22%0.01520%0.198CC..  trans-93.1126.2175-56.6-179.9000109W78 H118 M120 R121 L124 L128 D300W78-I116 HydrophobicContact CH2-CG1 4.17Å; W78-I116 HydrophobicContact CZ2-CG1 3.71Å; I116-H118 PolarHBondContact O-N 3.12Å; I116-M120 HydrophobicContact CG2-CB 4.29Å; I116-R121 HydrophobicContact CB-CG 4.03Å; I116-R121 HydrophobicContact CG2-CB 4.5Å; I116-R121 HydrophobicContact CG2-CG 3.67Å; I116-R121 VanDerWaalsContact O-CZ 3.28Å; I116-R121 PolarHBondContact O-NH2 3.19Å; I116-R121 VanDerWaalsContact O-NH2 3.1Å; I116-L124 HydrophobicContact CD1-CB 4.35Å; I116-L124 HydrophobicContact CG2-CB 4.31Å; I116-L124 HydrophobicContact CG2-CD1 3.49Å; I116-L124 VanDerWaalsContact CG2-CD1 3.49Å; I116-L128 HydrophobicContact CD1-CD1 3.63Å; I116-D300 HydrophobicContact CD1-CB 3.93Å; I116-D300 HydrophobicContact CG1-CB 4.01Å; I116-D300 PolarHBondContact N-OD2 2.99Å; I116-D300 VanDerWaalsContact N-OD2 3.14Å
117P94.6Very high94.5Very high4 Ų431.5 Ų31.53%0.02617%0.167CC..  trans-57.3136.6172.9-18.727.2000110.6E70 Q74 R75 W78 S119 M120 R121E70-P117 HydrophobicContact CG-CB 3.73Å; E70-P117 WeakPolarHBondContact OE1-CB 3.13Å; Q74-P117 HydrophobicContact CG-CG 4.27Å; R75-P117 HydrophobicContact CB-CB 4.42Å; R75-P117 HydrophobicContact CB-CG 4.25Å; W78-P117 HydrophobicContact CB-CG 4.47Å; W78-P117 HydrophobicContact CG-CG 4.19Å; P117-S119 VanDerWaalsContact C-N 3.32Å; P117-S119 PolarHBondContact O-N 3.36Å; P117-M120 HydrophobicContact CB-CG 4.2Å; P117-M120 HydrophobicContact CB-SD 4.17Å; P117-M120 HydrophobicContact CG-CG 4.43Å; P117-M120 HydrophobicContact CG-SD 3.81Å; P117-M120 PolarHBondContact O-N 3.4Å; P117-R121 PolarHBondContact O-N 3.42Å
118H91.6Very high94.8Very high60 Ų6026 Ų2628%0.27815%0.148SC..G310 helixtrans-55.8-45.3-167.1175.786.7000113A15 I116 M120 R121 F215A15-H118 PolarHBondContact O-CE1 2.91Å; A15-H118 PolarHBondContact O-NE2 2.9Å; I116-H118 PolarHBondContact O-N 3.12Å; H118-M120 PolarHBondContact O-N 3.36Å; H118-R121 PolarHBondContact ND1-NH1 3.36Å; H118-R121 WeakPolarHBondContact O-CB 3.43Å; H118-R121 PolarHBondContact O-N 3.47Å; H118-F215 AromaticContact CE1-CD1 3.55Å; H118-F215 AromaticContact CE1-CE1 3.64Å
119S91.3Very high94.9Very high60 Ų6026.1 Ų26.142%0.4215%0.149SC..G310 helixtrans-69.6-12.4179.660.30000114.6E70 R75 P117E70-S119 PolarHBondContact OE1-OG 3.12Å; E70-S119 WeakPolarHBondContact OE2-CB 3.39Å; E70-S119 PolarHBondContact OE2-OG 3.05Å; R75-S119 PolarHBondContact NH1-OG 3.22Å; P117-S119 VanDerWaalsContact C-N 3.32Å; P117-S119 PolarHBondContact O-N 3.36Å
120M95.1Very high95Very high6 Ų621.8 Ų21.83%0.0314%0.136CC..G310 helixtrans-95.1-15.4176.4-58.5-176.671.200113R75 W78 L82 W95 I116 P117 H118 P122 Q123 L124R75-M120 HydrophobicContact CG-SD 4.27Å; W78-M120 HydrophobicContact CB-CE 3.85Å; W78-M120 HydrophobicContact CB-SD 3.79Å; W78-M120 HydrophobicContact CG-SD 4.44Å; L82-M120 HydrophobicContact CD1-CE 3.59Å; W95-M120 HydrophobicContact CH2-CB 4.47Å; W95-M120 HydrophobicContact CH2-CE 3.8Å; W95-M120 HydrophobicContact CZ2-CB 4.46Å; W95-M120 HydrophobicContact CZ2-CE 4.12Å; W95-M120 HydrophobicContact CZ2-CG 4.49Å; I116-M120 HydrophobicContact CG2-CB 4.29Å; P117-M120 HydrophobicContact CB-CG 4.2Å; P117-M120 HydrophobicContact CB-SD 4.17Å; P117-M120 HydrophobicContact CG-CG 4.43Å; P117-M120 HydrophobicContact CG-SD 3.81Å; P117-M120 PolarHBondContact O-N 3.4Å; H118-M120 PolarHBondContact O-N 3.36Å; M120-P122 VanDerWaalsContact C-CD 3.48Å; M120-Q123 PolarHBondContact O-N 2.65Å; M120-L124 HydrophobicContact CB-CD1 3.75Å; M120-L124 HydrophobicContact CB-CG 4.43Å; M120-L124 HydrophobicContact CE-CD1 4.25Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 WeakPolarHBondContact O-CG 3.36Å; M120-L124 PolarHBondContact O-N 3.14Å
121R96.3Very high95.1Very high8 Ų818.9 Ų18.93%0.0312%0.116CC..Hα-helixtrans-55.1-44-178.7-73.5-177.3172.2111.76.2114.2I116 P117 H118 Q123 L124 W125 D300I116-R121 HydrophobicContact CB-CG 4.03Å; I116-R121 HydrophobicContact CG2-CB 4.5Å; I116-R121 HydrophobicContact CG2-CG 3.67Å; I116-R121 VanDerWaalsContact O-CZ 3.28Å; I116-R121 PolarHBondContact O-NH2 3.19Å; I116-R121 VanDerWaalsContact O-NH2 3.1Å; P117-R121 PolarHBondContact O-N 3.42Å; H118-R121 PolarHBondContact ND1-NH1 3.36Å; H118-R121 WeakPolarHBondContact O-CB 3.43Å; H118-R121 PolarHBondContact O-N 3.47Å; R121-Q123 PolarHBondContact O-N 2.59Å; R121-Q123 VanDerWaalsContact O-N 3.16Å; R121-L124 PolarHBondContact O-N 3.38Å; R121-W125 HydrophobicContact CB-CD2 4.02Å; R121-W125 HydrophobicContact CB-CG 4.33Å; R121-W125 HydrophobicContact CB-CZ2 4.35Å; R121-W125 VanDerWaalsContact CD-CZ2 3.47Å; R121-W125 HydrophobicContact CG-CD2 4.49Å; R121-W125 HydrophobicContact CG-CZ2 4.17Å; R121-W125 VanDerWaalsContact O-CB 3.24Å; R121-W125 WeakPolarHBondContact O-CB 3.36Å; R121-W125 VanDerWaalsContact O-CG 3.3Å; R121-W125 PolarHBondContact O-N 3.28Å; R121-D300 IonicContact CZ-OD1 3.29Å; R121-D300 IonicContact CZ-OD2 2.63Å; R121-D300 IonicContact NE-OD1 3.71Å; R121-D300 PolarHBondContact NE-OD1 3.49Å; R121-D300 IonicContact NE-OD2 2.78Å; R121-D300 IonicContact NH2-OD1 3.6Å; R121-D300 IonicContact NH2-OD2 3.17Å; R121-D300 PolarHBondContact NH2-OD2 2.79Å; R121-D300 VanDerWaalsContact NH2-OD2 3.08Å
122P96.1Very high95.2Very high37 Ų3719.2 Ų19.224%0.2412%0.118CC..Hα-helixtrans-58.3-37.2-176.3-25.335000113.1M120 M126 F215 L216M120-P122 VanDerWaalsContact C-CD 3.48Å; P122-M126 VanDerWaalsContact O-CG 3.22Å; P122-M126 WeakPolarHBondContact O-CG 3.36Å; P122-F215 WeakPolarHBondContact CG-O 3.17Å; P122-L216 VanDerWaalsContact CA-CD2 3.46Å; P122-L216 HydrophobicContact CB-CD2 3.83Å; P122-L216 HydrophobicContact CG-CD2 4.46Å
123Q96.2Very high95.2Very high63 Ų6324 Ų2429%0.29414%0.14SC..Hα-helixtrans-84.3-36.8-179.4-67.4-66.2-31.800112.8W95 M120 R121 R127W95-Q123 HydrophobicContact CD2-CB 3.56Å; W95-Q123 HydrophobicContact CD2-CG 3.58Å; W95-Q123 HydrophobicContact CE3-CB 3.54Å; W95-Q123 HydrophobicContact CE3-CG 4.09Å; W95-Q123 HydrophobicContact CG-CB 4.27Å; W95-Q123 HydrophobicContact CG-CG 3.8Å; W95-Q123 HydrophobicContact CH2-CB 3.71Å; W95-Q123 HydrophobicContact CZ2-CB 3.71Å; W95-Q123 HydrophobicContact CZ2-CG 4.08Å; W95-Q123 HydrophobicContact CZ3-CB 3.63Å; M120-Q123 PolarHBondContact O-N 2.65Å; R121-Q123 PolarHBondContact O-N 2.59Å; R121-Q123 VanDerWaalsContact O-N 3.16Å; Q123-R127 WeakPolarHBondContact O-CG 3.36Å; Q123-R127 PolarHBondContact O-NH1 2.73Å
124L97.4Very high95.2Very high0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-77.8-44.4-178.5-72.5172.3000112.2W78 W95 L102 I116 M120 R121 M126 R127 L128W78-L124 HydrophobicContact CD2-CD1 4.24Å; W78-L124 HydrophobicContact CE3-CD1 3.76Å; W78-L124 HydrophobicContact CE3-CD2 4.43Å; W78-L124 HydrophobicContact CH2-CD1 4.19Å; W78-L124 HydrophobicContact CZ3-CD1 3.74Å; W78-L124 HydrophobicContact CZ3-CD2 4.04Å; W95-L124 HydrophobicContact CH2-CD2 4.28Å; W95-L124 HydrophobicContact CH2-CG 4.06Å; W95-L124 HydrophobicContact CZ3-CD2 4.17Å; W95-L124 HydrophobicContact CZ3-CG 4.34Å; L102-L124 HydrophobicContact CD1-CD2 3.8Å; I116-L124 HydrophobicContact CD1-CB 4.35Å; I116-L124 HydrophobicContact CG2-CB 4.31Å; I116-L124 HydrophobicContact CG2-CD1 3.49Å; I116-L124 VanDerWaalsContact CG2-CD1 3.49Å; M120-L124 HydrophobicContact CB-CD1 3.75Å; M120-L124 HydrophobicContact CB-CG 4.43Å; M120-L124 HydrophobicContact CE-CD1 4.25Å; M120-L124 WeakPolarHBondContact O-CB 3.44Å; M120-L124 WeakPolarHBondContact O-CG 3.36Å; M120-L124 PolarHBondContact O-N 3.14Å; R121-L124 PolarHBondContact O-N 3.38Å; L124-M126 VanDerWaalsContact C-N 3.29Å; L124-M126 PolarHBondContact O-N 2.76Å; L124-R127 PolarHBondContact O-N 3.24Å; L124-L128 HydrophobicContact CB-CD1 4.24Å; L124-L128 WeakPolarHBondContact O-CB 3.13Å; L124-L128 WeakPolarHBondContact O-CG 3.21Å; L124-L128 PolarHBondContact O-N 3.21Å
125W98.1Very high95.4Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-58.2-42.6177.7-72.1-3.9000112.2R121 R127 L128 S129 L212 F215 L216 M224 L296 W299 D300 F303R121-W125 HydrophobicContact CB-CD2 4.02Å; R121-W125 HydrophobicContact CB-CG 4.33Å; R121-W125 HydrophobicContact CB-CZ2 4.35Å; R121-W125 VanDerWaalsContact CD-CZ2 3.47Å; R121-W125 HydrophobicContact CG-CD2 4.49Å; R121-W125 HydrophobicContact CG-CZ2 4.17Å; R121-W125 VanDerWaalsContact O-CB 3.24Å; R121-W125 WeakPolarHBondContact O-CB 3.36Å; R121-W125 VanDerWaalsContact O-CG 3.3Å; R121-W125 PolarHBondContact O-N 3.28Å; W125-R127 VanDerWaalsContact C-N 3.26Å; W125-R127 PolarHBondContact O-N 3.37Å; W125-L128 PolarHBondContact O-N 2.97Å; W125-S129 VanDerWaalsContact O-CB 3.27Å; W125-S129 WeakPolarHBondContact O-CB 3.3Å; W125-S129 PolarHBondContact O-N 3.42Å; W125-S129 PolarHBondContact O-OG 3.31Å; W125-L212 HydrophobicContact CZ3-CD2 4.39Å; W125-F215 HydrophobicContact CH2-CD2 4.29Å; W125-F215 HydrophobicContact CZ3-CB 4.24Å; W125-F215 HydrophobicContact CZ3-CD2 4.3Å; W125-L216 HydrophobicContact CE3-CD1 4.42Å; W125-L216 HydrophobicContact CE3-CD2 4.32Å; W125-L216 HydrophobicContact CE3-CG 4.5Å; W125-M224 HydrophobicContact CB-CE 4.13Å; W125-M224 HydrophobicContact CB-SD 4.41Å; W125-L296 HydrophobicContact CH2-CD2 3.41Å; W125-L296 VanDerWaalsContact CH2-CD2 3.41Å; W125-L296 HydrophobicContact CZ2-CD2 3.79Å; W125-W299 HydrophobicContact CH2-CB 4.33Å; W125-W299 AromaticContact CH2-CE3 3.63Å; W125-W299 HydrophobicContact CH2-CE3 3.63Å; W125-W299 HydrophobicContact CH2-CZ3 4.38Å; W125-W299 HydrophobicContact CZ2-CB 3.92Å; W125-W299 HydrophobicContact CZ2-CE3 4.37Å; W125-W299 AromaticContact CZ3-CE3 3.86Å; W125-W299 HydrophobicContact CZ3-CE3 3.86Å; W125-W299 HydrophobicContact CZ3-CZ3 4.32Å; W125-D300 PolarHBondContact NE1-OD1 3.4Å; W125-F303 HydrophobicContact CB-CD2 3.85Å; W125-F303 HydrophobicContact CB-CE2 4.24Å; W125-F303 AromaticContact CD1-CD2 3.71Å; W125-F303 AromaticContact CD2-CD2 3.74Å; W125-F303 HydrophobicContact CD2-CD2 3.74Å; W125-F303 AromaticContact CD2-CE2 3.6Å; W125-F303 HydrophobicContact CD2-CE2 3.6Å; W125-F303 AromaticContact CE2-CD2 3.99Å; W125-F303 AromaticContact CE2-CE2 3.94Å; W125-F303 HydrophobicContact CE3-CD2 4.37Å; W125-F303 AromaticContact CE3-CE2 3.79Å; W125-F303 HydrophobicContact CE3-CE2 3.79Å; W125-F303 AromaticContact CG-CD2 3.52Å; W125-F303 HydrophobicContact CG-CD2 3.52Å; W125-F303 AromaticContact CG-CE2 3.87Å; W125-F303 HydrophobicContact CG-CE2 3.87Å; W125-F303 HydrophobicContact CZ2-CE2 4.36Å; W125-F303 HydrophobicContact CZ3-CE2 4.26Å; W125-F303 AromaticContact NE1-CD2 3.99Å
126M98Very high95.5Very high4 Ų429.3 Ų29.32%0.0215%0.145CC..Hα-helixtrans-59.3-36176.2-77.1-64.7-73.400112.4P122 L124 S129 A131 L132 K135 D220 W223 M224P122-M126 VanDerWaalsContact O-CG 3.22Å; P122-M126 WeakPolarHBondContact O-CG 3.36Å; L124-M126 VanDerWaalsContact C-N 3.29Å; L124-M126 PolarHBondContact O-N 2.76Å; M126-S129 PolarHBondContact O-OG 3.13Å; M126-A131 HydrophobicContact CE-CB 3.94Å; M126-A131 PolarHBondContact O-N 3.09Å; M126-A131 VanDerWaalsContact O-N 3.07Å; M126-A131 HydrophobicContact SD-CB 3.63Å; M126-L132 HydrophobicContact CB-CB 4.07Å; M126-L132 HydrophobicContact CE-CB 4.43Å; M126-L132 WeakPolarHBondContact O-CB 3.38Å; M126-L132 PolarHBondContact O-N 2.63Å; M126-K135 HydrophobicContact CE-CB 4.48Å; M126-K135 HydrophobicContact CE-CD 4.18Å; M126-D220 HydrophobicContact CE-CB 3.98Å; M126-D220 HydrophobicContact CG-CB 4.29Å; M126-D220 HydrophobicContact SD-CB 3.77Å; M126-W223 HydrophobicContact CE-CB 4.14Å; M126-M224 HydrophobicContact CG-SD 4.27Å; M126-M224 HydrophobicContact SD-CG 3.59Å; M126-M224 VanDerWaalsContact SD-CG 3.59Å; M126-M224 HydrophobicContact SD-SD 3.58Å
127R97.1Very high95.3Very high2 Ų233.3 Ų33.31%0.00817%0.17CC..Hα-helixtrans-82.5-43178.9-70.4175.1173.174.6-0.3113.5W95 I98 D99 P100 L102 Q123 L124 W125 S129 G130 L132W95-R127 PolarHBondContact O-NH2 3.15Å; I98-R127 PolarHBondContact O-NE 3.37Å; I98-R127 PolarHBondContact O-NH2 2.94Å; D99-R127 VanDerWaalsContact O-CD 3.24Å; D99-R127 WeakPolarHBondContact O-CD 3.41Å; D99-R127 PolarHBondContact O-NE 3.15Å; P100-R127 WeakPolarHBondContact O-CA 3.47Å; L102-R127 HydrophobicContact CD1-CB 4.19Å; L102-R127 HydrophobicContact CG-CB 4.01Å; Q123-R127 WeakPolarHBondContact O-CG 3.36Å; Q123-R127 PolarHBondContact O-NH1 2.73Å; L124-R127 PolarHBondContact O-N 3.24Å; W125-R127 VanDerWaalsContact C-N 3.26Å; W125-R127 PolarHBondContact O-N 3.37Å; R127-S129 VanDerWaalsContact C-N 3.34Å; R127-G130 PolarHBondContact O-N 3.41Å; R127-L132 HydrophobicContact CG-CB 4.48Å; R127-L132 HydrophobicContact CG-CD2 3.75Å
128L97.3Very high95Very high24 Ų2434.4 Ų34.413%0.12618%0.177CC..Hα-helixtrans-64.7-41.5-178.2-65.8168.9000110.6L102 L108 V112 I116 L124 W125 G130 F303 Y304L102-L128 HydrophobicContact CB-CD2 4.4Å; L102-L128 HydrophobicContact CD1-CD2 3.98Å; L102-L128 HydrophobicContact CD1-CG 4.42Å; L108-L128 HydrophobicContact CD1-CD2 4.5Å; L108-L128 HydrophobicContact CD2-CD2 4.1Å; V112-L128 HydrophobicContact CG2-CD1 4.46Å; I116-L128 HydrophobicContact CD1-CD1 3.63Å; L124-L128 HydrophobicContact CB-CD1 4.24Å; L124-L128 WeakPolarHBondContact O-CB 3.13Å; L124-L128 WeakPolarHBondContact O-CG 3.21Å; L124-L128 PolarHBondContact O-N 3.21Å; W125-L128 PolarHBondContact O-N 2.97Å; L128-G130 VanDerWaalsContact C-N 3.31Å; L128-G130 PolarHBondContact O-N 3.17Å; L128-F303 CarbonylContact C-O 3.56Å; L128-F303 HydrophobicContact CB-CB 4.32Å; L128-F303 WeakPolarHBondContact CB-O 3.25Å; L128-Y304 HydrophobicContact CD2-CD2 3.8Å
129S96.8Very high94.6Very high6 Ų637.4 Ų37.44%0.04219%0.192CC..THydrogen-bonded Turntrans-75.7-14.317864.20000114.6W125 M126 R127 A131 M224 F303W125-S129 VanDerWaalsContact O-CB 3.27Å; W125-S129 WeakPolarHBondContact O-CB 3.3Å; W125-S129 PolarHBondContact O-N 3.42Å; W125-S129 PolarHBondContact O-OG 3.31Å; M126-S129 PolarHBondContact O-OG 3.13Å; R127-S129 VanDerWaalsContact C-N 3.34Å; S129-A131 VanDerWaalsContact C-N 3.28Å; S129-A131 PolarHBondContact O-N 2.66Å; S129-A131 VanDerWaalsContact OG-CB 3.3Å; S129-A131 WeakPolarHBondContact OG-CB 3.31Å; S129-A131 PolarHBondContact OG-N 2.94Å; S129-M224 PolarHBondContact OG-SD 2.69Å; S129-F303 PolarHBondContact N-O 3.15Å
130G95.7Very high94.4Very high12 Ų1237.7 Ų37.712%0.12419%0.188CC..SBendtrans80-0.7-17000000115.1R127 L128 L132 Q133 K134R127-G130 PolarHBondContact O-N 3.41Å; L128-G130 VanDerWaalsContact C-N 3.31Å; L128-G130 PolarHBondContact O-N 3.17Å; G130-L132 VanDerWaalsContact C-N 3.31Å; G130-L132 PolarHBondContact O-N 2.83Å; G130-Q133 WeakPolarHBondContact O-CB 3.43Å; G130-Q133 PolarHBondContact O-N 2.9Å; G130-Q133 VanDerWaalsContact O-N 3.17Å; G130-K134 PolarHBondContact O-N 3.36Å; G130-K134 VanDerWaalsContact O-N 3.13Å
131A96.9Very high94.2Very high0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-60-36.218000000113.6M126 S129 Q133 K134 K135 W223 M224 A227M126-A131 HydrophobicContact CE-CB 3.94Å; M126-A131 PolarHBondContact O-N 3.09Å; M126-A131 VanDerWaalsContact O-N 3.07Å; M126-A131 HydrophobicContact SD-CB 3.63Å; S129-A131 VanDerWaalsContact C-N 3.28Å; S129-A131 PolarHBondContact O-N 2.66Å; S129-A131 VanDerWaalsContact OG-CB 3.3Å; S129-A131 WeakPolarHBondContact OG-CB 3.31Å; S129-A131 PolarHBondContact OG-N 2.94Å; A131-Q133 VanDerWaalsContact C-N 3.33Å; A131-Q133 PolarHBondContact O-N 3.4Å; A131-K134 PolarHBondContact O-N 2.94Å; A131-K135 WeakPolarHBondContact O-CB 3.08Å; A131-K135 PolarHBondContact O-N 3.25Å; A131-W223 HydrophobicContact CB-CB 4.25Å; A131-W223 WeakPolarHBondContact CB-O 3.34Å; A131-M224 HydrophobicContact CB-CG 4.28Å; A131-M224 HydrophobicContact CB-SD 3.57Å; A131-M224 VanDerWaalsContact CB-SD 3.57Å; A131-A227 HydrophobicContact CB-CB 4Å
132L96.4Very high94.2Very high18 Ų1841 Ų419%0.09421%0.208CC..Hα-helixtrans-64.2-40177.1-173.353.4000111.7P100 M126 R127 G130 K135 R136P100-L132 HydrophobicContact CB-CD2 4.46Å; P100-L132 HydrophobicContact CB-CG 4.26Å; M126-L132 HydrophobicContact CB-CB 4.07Å; M126-L132 HydrophobicContact CE-CB 4.43Å; M126-L132 WeakPolarHBondContact O-CB 3.38Å; M126-L132 PolarHBondContact O-N 2.63Å; R127-L132 HydrophobicContact CG-CB 4.48Å; R127-L132 HydrophobicContact CG-CD2 3.75Å; G130-L132 VanDerWaalsContact C-N 3.31Å; G130-L132 PolarHBondContact O-N 2.83Å; L132-K135 PolarHBondContact O-N 3.25Å; L132-R136 HydrophobicContact CD1-CG 4.41Å; L132-R136 WeakPolarHBondContact O-CG 3.14Å; L132-R136 PolarHBondContact O-N 2.92Å
133Q94.9Very high94.1Very high100 Ų10047.6 Ų47.647%0.46723%0.233SC..Hα-helixtrans-63.9-47.4176.1-169.7179.82800110.2P100 V101 G130 A131 K135 R136 T137P100-Q133 HydrophobicContact CB-CB 4.2Å; V101-Q133 HydrophobicContact CG2-CB 3.78Å; V101-Q133 HydrophobicContact CG2-CG 4.16Å; V101-Q133 VanDerWaalsContact CG2-OE1 3.23Å; G130-Q133 WeakPolarHBondContact O-CB 3.43Å; G130-Q133 PolarHBondContact O-N 2.9Å; G130-Q133 VanDerWaalsContact O-N 3.17Å; A131-Q133 VanDerWaalsContact C-N 3.33Å; A131-Q133 PolarHBondContact O-N 3.4Å; Q133-K135 VanDerWaalsContact C-N 3.34Å; Q133-K135 PolarHBondContact O-N 2.92Å; Q133-R136 PolarHBondContact O-N 2.89Å; Q133-T137 HydrophobicContact CG-CG2 4.39Å; Q133-T137 WeakPolarHBondContact O-CG2 3.32Å; Q133-T137 PolarHBondContact O-N 3.23Å; Q133-T137 PolarHBondContact O-OG1 3.31Å
134K92.3Very high93.9Very high24 Ų2449 Ų4910%0.10424%0.24CC..Hα-helixtrans-57.6-44.9175.7-68.9-171.6-168.5-78.50112.4G130 A131 R136 T137 S138 W223 C226 E230 D231G130-K134 PolarHBondContact O-N 3.36Å; G130-K134 VanDerWaalsContact O-N 3.13Å; A131-K134 PolarHBondContact O-N 2.94Å; K134-R136 VanDerWaalsContact C-N 3.33Å; K134-R136 PolarHBondContact O-N 3.2Å; K134-T137 PolarHBondContact O-N 3.31Å; K134-S138 WeakPolarHBondContact O-CB 3.36Å; K134-S138 PolarHBondContact O-N 3.39Å; K134-W223 HydrophobicContact CB-CE3 4.05Å; K134-W223 HydrophobicContact CB-CZ3 4.42Å; K134-C226 HydrophobicContact CD-CB 4.4Å; K134-E230 WeakPolarHBondContact CE-OE2 3.33Å; K134-E230 IonicContact NZ-OE2 3.95Å; K134-E230 PolarHBondContact NZ-OE2 3.15Å; K134-D231 WeakPolarHBondContact CE-OD2 3.39Å; K134-D231 VanDerWaalsContact NZ-CG 3.26Å; K134-D231 IonicContact NZ-OD1 3.78Å; K134-D231 PolarHBondContact NZ-OD1 2.8Å; K134-D231 IonicContact NZ-OD2 3.5Å; K134-D231 PolarHBondContact NZ-OD2 3.38Å
135K94.8Very high93.7Very high58 Ų5849 Ų4925%0.25224%0.24SC..Hα-helixtrans-56.8-46175.8177.7174.2-178.5168.60111.7M126 A131 L132 Q133 E219 D220 W223M126-K135 HydrophobicContact CE-CB 4.48Å; M126-K135 HydrophobicContact CE-CD 4.18Å; A131-K135 WeakPolarHBondContact O-CB 3.08Å; A131-K135 PolarHBondContact O-N 3.25Å; L132-K135 PolarHBondContact O-N 3.25Å; Q133-K135 VanDerWaalsContact C-N 3.34Å; Q133-K135 PolarHBondContact O-N 2.92Å; K135-E219 HydrophobicContact CD-CG 4.45Å; K135-E219 WeakPolarHBondContact CE-OE1 3.35Å; K135-E219 VanDerWaalsContact CE-OE2 3.22Å; K135-E219 WeakPolarHBondContact CE-OE2 3.5Å; K135-E219 VanDerWaalsContact NZ-CD 3.26Å; K135-E219 IonicContact NZ-OE1 3.53Å; K135-E219 IonicContact NZ-OE2 3.15Å; K135-E219 PolarHBondContact NZ-OE2 3.09Å; K135-D220 WeakPolarHBondContact CD-OD1 3.44Å; K135-D220 IonicContact NZ-OD1 3.03Å; K135-D220 PolarHBondContact NZ-OD1 3.24Å; K135-W223 HydrophobicContact CB-CB 4.32Å; K135-W223 HydrophobicContact CB-CD2 4.02Å; K135-W223 HydrophobicContact CB-CG 3.73Å; K135-W223 HydrophobicContact CG-CG 4.21Å
136R93.4Very high93.5Very high127 Ų12750.8 Ų50.848%0.47925%0.25SS..Hα-helixtrans-73.2-29.5-177.7-73.5-178.3178-165.90.7113.5L132 Q133 K134L132-R136 HydrophobicContact CD1-CG 4.41Å; L132-R136 WeakPolarHBondContact O-CG 3.14Å; L132-R136 PolarHBondContact O-N 2.92Å; Q133-R136 PolarHBondContact O-N 2.89Å; K134-R136 VanDerWaalsContact C-N 3.33Å; K134-R136 PolarHBondContact O-N 3.2Å
137T90.9Very high93.2Very high86 Ų8657.9 Ų57.953%0.52828%0.281SS..Hα-helixtrans-97.8-4.5-177.560.30000114.1Q133 K134Q133-T137 HydrophobicContact CG-CG2 4.39Å; Q133-T137 WeakPolarHBondContact O-CG2 3.32Å; Q133-T137 PolarHBondContact O-N 3.23Å; Q133-T137 PolarHBondContact O-OG1 3.31Å; K134-T137 PolarHBondContact O-N 3.31Å
138S88.5Confident92.9Very high27 Ų2761.6 Ų61.619%0.18930%0.301CS..  trans-67.9131.1176.3-178.60000111.7K134 I140 W223K134-S138 WeakPolarHBondContact O-CB 3.36Å; K134-S138 PolarHBondContact O-N 3.39Å; S138-I140 VanDerWaalsContact C-N 3.31Å; S138-I140 PolarHBondContact OG-N 2.89Å; S138-I140 PolarHBondContact OG-O 2.78Å; S138-W223 VanDerWaalsContact OG-CH2 3.23Å; S138-W223 WeakPolarHBondContact OG-CH2 3.37Å
139E83.7Confident92.6Very high124 Ų12461 Ų6158%0.57930%0.299SS*.SBendtrans-74.2-24.2171-63.9-176.2159.200112.5L412 L416E139-L412 HydrophobicContact CB-CD2 4.35Å; E139-L412 HydrophobicContact CG-CD2 3.96Å; E139-L416 WeakPolarHBondContact OE1-CD1 3.39Å
140I86Confident92Very high66 Ų6664.3 Ų64.334%0.33832%0.322SS..SBendtrans-100.7124.8-179.2-53.9178.1000108.7S138 E144 I145 W194S138-I140 VanDerWaalsContact C-N 3.31Å; S138-I140 PolarHBondContact OG-N 2.89Å; S138-I140 PolarHBondContact OG-O 2.78Å; I140-E144 HydrophobicContact CG2-CB 3.77Å; I140-I145 HydrophobicContact CG2-CD1 4.32Å; I140-I145 HydrophobicContact CG2-CG1 3.68Å; I140-W194 HydrophobicContact CD1-CH2 4.25Å; I140-W194 HydrophobicContact CD1-CZ3 4.46Å
141S92.3Very high91.3Very high52 Ų5268.1 Ų68.136%0.36434%0.34SS..  trans-75.7154.5175.967.50000112.1K143 E144 I145S141-K143 PolarHBondContact O-N 3.19Å; S141-E144 WeakPolarHBondContact CB-OE2 3.39Å; S141-E144 PolarHBondContact N-OE2 3.31Å; S141-E144 PolarHBondContact O-N 3.41Å; S141-E144 VanDerWaalsContact OG-CD 3.3Å; S141-E144 VanDerWaalsContact OG-CG 3.29Å; S141-E144 WeakPolarHBondContact OG-CG 3.31Å; S141-E144 PolarHBondContact OG-N 3.03Å; S141-E144 PolarHBondContact OG-OE2 3.47Å; S141-I145 WeakPolarHBondContact O-CG1 3.32Å; S141-I145 PolarHBondContact O-N 2.74Å
142Y94.6Very high90.2Very high31 Ų3172.6 Ų72.612%0.12236%0.363CS..Hα-helixtrans-52.6-39.9172.7-179.3-105.2000112.9E144 I145 V146 E218 E219 L222Y142-E144 VanDerWaalsContact C-N 3.32Å; Y142-E144 PolarHBondContact O-N 2.82Å; Y142-I145 PolarHBondContact O-N 3.1Å; Y142-V146 HydrophobicContact CD1-CG2 4.21Å; Y142-V146 HydrophobicContact CE1-CG2 3.61Å; Y142-V146 HydrophobicContact CE2-CG2 3.97Å; Y142-V146 VanDerWaalsContact CZ-CG2 3.44Å; Y142-V146 WeakPolarHBondContact O-CG2 3.33Å; Y142-V146 PolarHBondContact O-N 2.96Å; Y142-V146 WeakPolarHBondContact OH-CG2 3.38Å; Y142-E218 HydrophobicContact CE1-CG 4.49Å; Y142-E218 WeakPolarHBondContact OH-CG 3.33Å; Y142-E218 PolarHBondContact OH-OE1 2.83Å; Y142-E219 WeakPolarHBondContact CB-OE1 3.27Å; Y142-E219 HydrophobicContact CD1-CB 4.1Å; Y142-E219 HydrophobicContact CD2-CB 4.08Å; Y142-E219 HydrophobicContact CD2-CG 4.07Å; Y142-E219 HydrophobicContact CG-CB 3.85Å; Y142-E219 HydrophobicContact CG-CG 3.83Å; Y142-L222 HydrophobicContact CD2-CB 4.26Å; Y142-L222 HydrophobicContact CD2-CD2 3.52Å; Y142-L222 HydrophobicContact CD2-CG 4.47Å; Y142-L222 HydrophobicContact CE2-CB 4.03Å; Y142-L222 HydrophobicContact CE2-CD2 3.77Å; Y142-L222 HydrophobicContact CE2-CG 4.38Å
143K94.5Very high89.2Confident175 Ų17578 Ų7876%0.76139%0.392SS*.Hα-helixtrans-62.2-39.2178.7-172.1178.6179.7-1790112.1S141 K147S141-K143 PolarHBondContact O-N 3.19Å; K143-K147 WeakPolarHBondContact O-CB 2.92Å; K143-K147 PolarHBondContact O-N 2.78Å; K143-K147 VanDerWaalsContact O-N 3.07Å
144E92.1Very high88.5Confident93 Ų9375.9 Ų75.944%0.43539%0.387SS..Hα-helixtrans-70.1-39.9176.1-72.6163.4135.200111.7I140 S141 Y142 K147 N148I140-E144 HydrophobicContact CG2-CB 3.77Å; S141-E144 WeakPolarHBondContact CB-OE2 3.39Å; S141-E144 PolarHBondContact N-OE2 3.31Å; S141-E144 PolarHBondContact O-N 3.41Å; S141-E144 VanDerWaalsContact OG-CD 3.3Å; S141-E144 VanDerWaalsContact OG-CG 3.29Å; S141-E144 WeakPolarHBondContact OG-CG 3.31Å; S141-E144 PolarHBondContact OG-N 3.03Å; S141-E144 PolarHBondContact OG-OE2 3.47Å; Y142-E144 VanDerWaalsContact C-N 3.32Å; Y142-E144 PolarHBondContact O-N 2.82Å; E144-K147 PolarHBondContact O-N 3.4Å; E144-N148 WeakPolarHBondContact O-CB 3.21Å; E144-N148 PolarHBondContact O-N 3.01Å; E144-N148 PolarHBondContact O-ND2 2.81Å
145I93.1Very high88.1Confident1 Ų179 Ų791%0.00541%0.412CS..Hα-helixtrans-57.4-53175.4-66.1162.6000109.8I140 S141 Y142 K147 N148 S149 W194 L195 L222 W223I140-I145 HydrophobicContact CG2-CD1 4.32Å; I140-I145 HydrophobicContact CG2-CG1 3.68Å; S141-I145 WeakPolarHBondContact O-CG1 3.32Å; S141-I145 PolarHBondContact O-N 2.74Å; Y142-I145 PolarHBondContact O-N 3.1Å; I145-K147 VanDerWaalsContact C-N 3.31Å; I145-K147 PolarHBondContact O-N 3.42Å; I145-N148 PolarHBondContact O-N 3.26Å; I145-S149 VanDerWaalsContact O-CB 3.29Å; I145-S149 WeakPolarHBondContact O-CB 3.16Å; I145-S149 PolarHBondContact O-N 3.36Å; I145-S149 PolarHBondContact O-OG 2.94Å; I145-S149 VanDerWaalsContact O-OG 3.04Å; I145-W194 HydrophobicContact CG1-CZ3 4.22Å; I145-W194 HydrophobicContact CG2-CE3 4.31Å; I145-L195 HydrophobicContact CD1-CD1 4.12Å; I145-L195 HydrophobicContact CD1-CD2 4.24Å; I145-L195 HydrophobicContact CG1-CD2 4.26Å; I145-L195 HydrophobicContact CG2-CD1 4.34Å; I145-L195 HydrophobicContact CG2-CG 4.32Å; I145-L222 HydrophobicContact CD1-CD2 3.85Å; I145-L222 HydrophobicContact CG2-CD2 4.3Å; I145-W223 HydrophobicContact CD1-CH2 4.43Å; I145-W223 HydrophobicContact CD1-CZ2 4.28Å
146V94.6Very high87.6Confident36 Ų3677.7 Ų77.722%0.21841%0.408CS..Hα-helixtrans-59.6-41.5179171.60000111.8Y142 S149 R187Y142-V146 HydrophobicContact CD1-CG2 4.21Å; Y142-V146 HydrophobicContact CE1-CG2 3.61Å; Y142-V146 HydrophobicContact CE2-CG2 3.97Å; Y142-V146 VanDerWaalsContact CZ-CG2 3.44Å; Y142-V146 WeakPolarHBondContact O-CG2 3.33Å; Y142-V146 PolarHBondContact O-N 2.96Å; Y142-V146 WeakPolarHBondContact OH-CG2 3.38Å; V146-S149 PolarHBondContact O-OG 3.39Å; V146-R187 HydrophobicContact CG1-CG 4.19Å; V146-R187 HydrophobicContact CG2-CB 4.33Å
147K91.9Very high87.2Confident154 Ų15471.9 Ų71.967%0.6739%0.387SS*.Hα-helixtrans-63.2-47.3178.4-175.5-173176.2-170.70111.1K143 E144 I145 S149 S150K143-K147 WeakPolarHBondContact O-CB 2.92Å; K143-K147 PolarHBondContact O-N 2.78Å; K143-K147 VanDerWaalsContact O-N 3.07Å; E144-K147 PolarHBondContact O-N 3.4Å; I145-K147 VanDerWaalsContact C-N 3.31Å; I145-K147 PolarHBondContact O-N 3.42Å; K147-S149 VanDerWaalsContact C-N 3.35Å; K147-S150 WeakPolarHBondContact O-CB 3.02Å; K147-S150 PolarHBondContact O-N 3.37Å; K147-S150 PolarHBondContact O-OG 3.28Å
148N89.6Confident87.1Confident80 Ų8073.6 Ų73.643%0.42839%0.387SS..Hα-helixtrans-75.5-24.7-175.9-65-19.7000112.6E144 I145 S150 W194E144-N148 WeakPolarHBondContact O-CB 3.21Å; E144-N148 PolarHBondContact O-N 3.01Å; E144-N148 PolarHBondContact O-ND2 2.81Å; I145-N148 PolarHBondContact O-N 3.26Å; N148-S150 VanDerWaalsContact C-N 3.3Å; N148-S150 PolarHBondContact O-N 3Å; N148-W194 HydrophobicContact CB-CD2 4.27Å; N148-W194 HydrophobicContact CB-CH2 4.16Å; N148-W194 HydrophobicContact CB-CZ2 3.58Å
149S90.8Very high87Confident12 Ų1277 Ų778%0.08440%0.4CS..THydrogen-bonded Turntrans-8812.817772.80000114.2I145 V146 K147 N151 R190I145-S149 VanDerWaalsContact O-CB 3.29Å; I145-S149 WeakPolarHBondContact O-CB 3.16Å; I145-S149 PolarHBondContact O-N 3.36Å; I145-S149 PolarHBondContact O-OG 2.94Å; I145-S149 VanDerWaalsContact O-OG 3.04Å; V146-S149 PolarHBondContact O-OG 3.39Å; K147-S149 VanDerWaalsContact C-N 3.35Å; S149-N151 VanDerWaalsContact C-N 3.3Å; S149-N151 PolarHBondContact O-N 3.19Å; S149-R190 WeakPolarHBondContact CB-O 3.34Å
150S85.3Confident87.4Confident74 Ų7471.1 Ų71.152%0.51737%0.373SS..  trans-81.1-1.3-172.659.30000115K147 N148 D152K147-S150 WeakPolarHBondContact O-CB 3.02Å; K147-S150 PolarHBondContact O-N 3.37Å; K147-S150 PolarHBondContact O-OG 3.28Å; N148-S150 VanDerWaalsContact C-N 3.3Å; N148-S150 PolarHBondContact O-N 3Å; S150-D152 PolarHBondContact O-N 3.31Å
151N79.9Confident87.7Confident93 Ų9371 Ų7150%0.49737%0.371SS..  trans-70.9110.5-178.5-173.2-7.6000112.4S149 D153S149-N151 VanDerWaalsContact C-N 3.3Å; S149-N151 PolarHBondContact O-N 3.19Å; N151-D153 PolarHBondContact OD1-N 2.96Å
152D75.1Confident87.5Confident93 Ų9375.3 Ų75.350%0.49738%0.383SS..THydrogen-bonded Turntrans-77.5-14.1-178.5-73.1-39.4000114.4S150 T154 R190S150-D152 PolarHBondContact O-N 3.31Å; D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 PolarHBondContact O-N 3.18Å; D152-R190 IonicContact OD1-CZ 2.74Å; D152-R190 IonicContact OD1-NH1 2.68Å; D152-R190 PolarHBondContact OD1-NH1 2.69Å; D152-R190 IonicContact OD1-NH2 2.86Å; D152-R190 PolarHBondContact OD1-NH2 2.91Å
153D74.8Confident87.3Confident131 Ų13174.7 Ų74.770%0.70138%0.382SS*.THydrogen-bonded Turntrans-80.9-10-171.4-70.6-38.7000114.1N151N151-D153 PolarHBondContact OD1-N 2.96Å
154T81.1Confident87.2Confident57 Ų5766.4 Ų66.435%0.3535%0.346SS..SBendtrans-70.1146.6-177.867.80000112.4D152 T156 A157 K158D152-T154 VanDerWaalsContact C-N 3.31Å; D152-T154 PolarHBondContact O-N 3.18Å; T154-T156 PolarHBondContact O-N 2.68Å; T154-A157 PolarHBondContact O-N 2.83Å; T154-A157 VanDerWaalsContact OG1-CB 3.23Å; T154-A157 WeakPolarHBondContact OG1-CB 3.33Å; T154-A157 PolarHBondContact OG1-N 3.21Å; T154-A157 VanDerWaalsContact OG1-N 3.1Å; T154-K158 PolarHBondContact O-N 2.86Å
155S82.8Confident87Confident90 Ų9065.9 Ų65.963%0.62935%0.345SS*.Hα-helixtrans-58.8-36.8174.154.80000111.9K158 Q159S155-K158 PolarHBondContact O-N 3.16Å; S155-Q159 PolarHBondContact O-N 3.33Å; S155-Q159 VanDerWaalsContact O-N 3.11Å
156T83.7Confident86.7Confident30 Ų3073 Ų7318%0.18437%0.372CS..Hα-helixtrans-62.7-44.6175.5-55.20000112.5T154 K158 Q159 I160 A193T154-T156 PolarHBondContact O-N 2.68Å; T156-K158 VanDerWaalsContact C-N 3.31Å; T156-K158 PolarHBondContact O-N 2.81Å; T156-Q159 PolarHBondContact O-N 3.41Å; T156-I160 HydrophobicContact CG2-CD1 4.06Å; T156-I160 WeakPolarHBondContact O-CG1 3.41Å; T156-I160 PolarHBondContact O-N 3.02Å; T156-A193 HydrophobicContact CG2-CB 3.66Å
157A86.1Confident86.5Confident4 Ų471.9 Ų71.93%0.03337%0.365CS..Hα-helixtrans-59.8-42176.300000111.7T154 Q159 I160 E161T154-A157 PolarHBondContact O-N 2.83Å; T154-A157 VanDerWaalsContact OG1-CB 3.23Å; T154-A157 WeakPolarHBondContact OG1-CB 3.33Å; T154-A157 PolarHBondContact OG1-N 3.21Å; T154-A157 VanDerWaalsContact OG1-N 3.1Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-Q159 PolarHBondContact O-N 3.13Å; A157-I160 PolarHBondContact O-N 2.89Å; A157-E161 PolarHBondContact O-N 3.13Å; A157-E161 VanDerWaalsContact O-N 3.07Å
158K88.1Confident86.3Confident122 Ų12264.9 Ų64.953%0.5334%0.335SS..Hα-helixtrans-64.7-35.4177.2-65.2174.4-174.5170.90112.9T154 S155 T156 K162T154-K158 PolarHBondContact O-N 2.86Å; S155-K158 PolarHBondContact O-N 3.16Å; T156-K158 VanDerWaalsContact C-N 3.31Å; T156-K158 PolarHBondContact O-N 2.81Å; K158-K162 WeakPolarHBondContact O-CG 3.41Å; K158-K162 PolarHBondContact O-N 3.47Å
159Q88.1Confident86.2Confident98 Ų9864.9 Ų64.946%0.45834%0.34SS..Hα-helixtrans-68.7-44.1174.4-74175.6-21.400111.5S155 T156 A157 E161 K162 D163 Y201S155-Q159 PolarHBondContact O-N 3.33Å; S155-Q159 VanDerWaalsContact O-N 3.11Å; T156-Q159 PolarHBondContact O-N 3.41Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-Q159 PolarHBondContact O-N 3.13Å; Q159-E161 PolarHBondContact O-N 2.79Å; Q159-K162 WeakPolarHBondContact O-CB 3.24Å; Q159-K162 PolarHBondContact O-N 3.37Å; Q159-D163 PolarHBondContact O-N 3.15Å; Q159-Y201 HydrophobicContact CB-CD1 3.96Å; Q159-Y201 HydrophobicContact CB-CE1 4.45Å
160I91.9Very high86.1Confident1 Ų166.3 Ų66.31%0.00535%0.348CS..Hα-helixtrans-55-52.9176.3-71.1163.9000110.1T156 A157 K162 D163 L164 L189 R190 Y201T156-I160 HydrophobicContact CG2-CD1 4.06Å; T156-I160 WeakPolarHBondContact O-CG1 3.41Å; T156-I160 PolarHBondContact O-N 3.02Å; A157-I160 PolarHBondContact O-N 2.89Å; I160-K162 PolarHBondContact O-N 2.58Å; I160-D163 PolarHBondContact O-N 2.91Å; I160-L164 HydrophobicContact CG2-CD2 4.13Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.36Å; I160-L164 VanDerWaalsContact O-N 3.09Å; I160-L189 HydrophobicContact CD1-CB 3.97Å; I160-L189 HydrophobicContact CG1-CB 4.21Å; I160-L189 HydrophobicContact CG2-CB 4.02Å; I160-L189 HydrophobicContact CG2-CD1 3.88Å; I160-R190 HydrophobicContact CD1-CG 4.1Å; I160-Y201 HydrophobicContact CD1-CD2 4.36Å; I160-Y201 HydrophobicContact CG1-CD1 4.43Å; I160-Y201 HydrophobicContact CG1-CD2 3.57Å; I160-Y201 HydrophobicContact CG1-CE2 4.06Å; I160-Y201 HydrophobicContact CG1-CG 3.79Å
161E91.1Very high86.6Confident65 Ų6562.8 Ų62.830%0.30432%0.323SS..Hα-helixtrans-56.5-37.8-178.6-68.1-52.8140.100113.4A157 Q159 D163 L164 R186 R190A157-E161 PolarHBondContact O-N 3.13Å; A157-E161 VanDerWaalsContact O-N 3.07Å; Q159-E161 PolarHBondContact O-N 2.79Å; E161-D163 PolarHBondContact O-N 3.38Å; E161-L164 WeakPolarHBondContact OE2-CD1 3.38Å; E161-R186 VanDerWaalsContact CD-NE 3.29Å; E161-R186 WeakPolarHBondContact OE1-CD 3.36Å; E161-R186 IonicContact OE1-CZ 3.6Å; E161-R186 IonicContact OE1-NE 3.99Å; E161-R186 PolarHBondContact OE1-NE 3.46Å; E161-R186 IonicContact OE1-NH2 3.05Å; E161-R186 IonicContact OE2-CZ 2.79Å; E161-R186 IonicContact OE2-NE 3.58Å; E161-R186 PolarHBondContact OE2-NE 3.43Å; E161-R186 IonicContact OE2-NH2 2.69Å; E161-R186 PolarHBondContact OE2-NH2 3.17Å; E161-R190 IonicContact OE1-CZ 3.51Å; E161-R190 IonicContact OE1-NE 2.88Å; E161-R190 IonicContact OE1-NH2 3.16Å; E161-R190 PolarHBondContact OE1-NH2 3.42Å
162K89.3Confident87.2Confident141 Ų14158.4 Ų58.461%0.61330%0.3SS*.Hα-helixtrans-65.9-28.2178.9-77.4179.8-178.1-178.10113K158 Q159 I160 R166K158-K162 WeakPolarHBondContact O-CG 3.41Å; K158-K162 PolarHBondContact O-N 3.47Å; Q159-K162 WeakPolarHBondContact O-CB 3.24Å; Q159-K162 PolarHBondContact O-N 3.37Å; I160-K162 PolarHBondContact O-N 2.58Å; K162-R166 PolarHBondContact O-NE 3.06Å; K162-R166 PolarHBondContact O-NH2 2.75Å
163D89.7Confident88.2Confident19 Ų1954 Ų5410%0.10228%0.276CS..Hα-helixtrans-99.1-17.9-173.5-78.810.2000113.6Q159 I160 E161 L165 R166 T167 Y201Q159-D163 PolarHBondContact O-N 3.15Å; I160-D163 PolarHBondContact O-N 2.91Å; E161-D163 PolarHBondContact O-N 3.38Å; D163-L165 VanDerWaalsContact C-N 3.33Å; D163-L165 PolarHBondContact O-N 2.72Å; D163-R166 PolarHBondContact O-N 2.85Å; D163-R166 IonicContact OD1-CZ 3.08Å; D163-R166 IonicContact OD1-NH1 3.91Å; D163-R166 PolarHBondContact OD1-NH1 2.88Å; D163-R166 IonicContact OD1-NH2 3.61Å; D163-T167 PolarHBondContact O-N 2.68Å; D163-T167 PolarHBondContact O-OG1 2.75Å; D163-Y201 HydrophobicContact CB-CE1 4.33Å; D163-Y201 WeakPolarHBondContact CB-OH 3.42Å; D163-Y201 WeakPolarHBondContact OD2-CE1 3.21Å; D163-Y201 PolarHBondContact OD2-OH 2.96Å
164L92.3Very high89.2Confident1 Ų147.7 Ų47.71%0.00524%0.243CC..Hα-helixtrans-51.6-49-179.1-71.8175.8000112.5I160 E161 R166 T167 V182 L185 R186 L189I160-L164 HydrophobicContact CG2-CD2 4.13Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.36Å; I160-L164 VanDerWaalsContact O-N 3.09Å; E161-L164 WeakPolarHBondContact OE2-CD1 3.38Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.71Å; L164-T167 PolarHBondContact O-N 3.28Å; L164-V182 HydrophobicContact CB-CG1 4.28Å; L164-V182 HydrophobicContact CD1-CG1 4.18Å; L164-L185 HydrophobicContact CD2-CB 4.2Å; L164-L185 HydrophobicContact CD2-CD2 3.65Å; L164-L185 HydrophobicContact CD2-CG 3.67Å; L164-R186 HydrophobicContact CD1-CB 3.93Å; L164-R186 HydrophobicContact CD1-CG 4.25Å; L164-R186 VanDerWaalsContact CD1-CZ 3.44Å; L164-R186 HydrophobicContact CD2-CB 4.21Å; L164-L189 HydrophobicContact CD2-CD1 4.06Å
165L88.1Confident89.6Confident81 Ų8147.2 Ų47.242%0.42424%0.242SC..THydrogen-bonded Turntrans-79-11.5-178.5-62.8-178.8000114D163 L177D163-L165 VanDerWaalsContact C-N 3.33Å; D163-L165 PolarHBondContact O-N 2.72Å; L165-L177 HydrophobicContact CD2-CB 4.3Å; L165-L177 HydrophobicContact CD2-CD1 4.44Å
166R87.2Confident89.9Confident151 Ų15146.3 Ų46.357%0.5723%0.232SC*.THydrogen-bonded Turntrans-89.5-7.9173.2-56.2-168.2-141.2120.112.9112K162 D163 L164K162-R166 PolarHBondContact O-NE 3.06Å; K162-R166 PolarHBondContact O-NH2 2.75Å; D163-R166 PolarHBondContact O-N 2.85Å; D163-R166 IonicContact OD1-CZ 3.08Å; D163-R166 IonicContact OD1-NH1 3.91Å; D163-R166 PolarHBondContact OD1-NH1 2.88Å; D163-R166 IonicContact OD1-NH2 3.61Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.71Å
167T88.7Confident90.1Very high12 Ų1249.4 Ų49.47%0.07425%0.247CC..SBendtrans-91116.1-178.5-55.30000109.9D163 L164 F174 L185 G206 S210D163-T167 PolarHBondContact O-N 2.68Å; D163-T167 PolarHBondContact O-OG1 2.75Å; L164-T167 PolarHBondContact O-N 3.28Å; T167-F174 WeakPolarHBondContact O-CB 3.48Å; T167-L185 HydrophobicContact CG2-CD2 4.19Å; T167-G206 WeakPolarHBondContact CG2-O 3.16Å; T167-S210 WeakPolarHBondContact CG2-OG 3.33Å
168M88.4Confident90.2Very high7 Ų756.5 Ų56.53%0.03429%0.285CS..SBendtrans52.154.1-178.1-60.9-176.860.700114.5F47 T170 N171 F174 M207 S210 L214F47-M168 HydrophobicContact CD1-CE 4.46Å; F47-M168 HydrophobicContact CE1-CE 3.37Å; F47-M168 HydrophobicContact CE2-CE 4.27Å; F47-M168 HydrophobicContact CZ-CE 3.24Å; M168-T170 PolarHBondContact O-N 3.2Å; M168-N171 HydrophobicContact CB-CB 4.06Å; M168-N171 HydrophobicContact CE-CB 3.68Å; M168-N171 PolarHBondContact O-N 3.16Å; M168-F174 HydrophobicContact CB-CB 4.3Å; M168-F174 HydrophobicContact CB-CD2 4.11Å; M168-F174 HydrophobicContact CB-CG 4.46Å; M168-F174 HydrophobicContact CE-CD2 4.42Å; M168-F174 HydrophobicContact SD-CD2 4.18Å; M168-F174 HydrophobicContact SD-CE2 4.16Å; M168-M207 HydrophobicContact CG-CE 4.34Å; M168-M207 HydrophobicContact CG-SD 3.44Å; M168-M207 WeakPolarHBondContact CG-SD 3.24Å; M168-M207 HydrophobicContact SD-SD 4.27Å; M168-S210 WeakPolarHBondContact SD-CB 3.31Å; M168-L214 HydrophobicContact CE-CD1 3.82Å
169P87.7Confident90.5Very high80 Ų8051.1 Ų51.152%0.51926%0.262SS..THydrogen-bonded Turntrans-63.2-19.7-174.927.6-36.2000113.8
170T89.8Confident90.8Very high42 Ų4248.3 Ų48.326%0.25825%0.252SS..THydrogen-bonded Turntrans-86.8-9.1178.754.80000113.4R48 R60 M168R48-T170 PolarHBondContact N-O 3.12Å; R60-T170 VanDerWaalsContact NH1-CG2 3.27Å; M168-T170 PolarHBondContact O-N 3.2Å
171N94.1Very high91Very high0 Ų048.2 Ų48.20%025%0.252CS..BIsolated β-bridgetrans-95.6131.2179.1-170.6-73.5000110.6F45 G46 F47 M168 C173 F174 S175F45-N171 PolarHBondContact O-ND2 3.31Å; G46-N171 CarbonylContact O-C 3.54Å; G46-N171 VanDerWaalsContact O-CA 3.32Å; G46-N171 WeakPolarHBondContact O-CA 3.5Å; G46-N171 PolarHBondContact O-ND2 3.47Å; F47-N171 HydrophobicContact CD1-CB 3.99Å; F47-N171 HydrophobicContact CE1-CB 4.08Å; M168-N171 HydrophobicContact CB-CB 4.06Å; M168-N171 HydrophobicContact CE-CB 3.68Å; M168-N171 PolarHBondContact O-N 3.16Å; N171-C173 PolarHBondContact O-N 3.43Å; N171-C173 VanDerWaalsContact O-N 3.12Å; N171-C173 VanDerWaalsContact OD1-CB 3.29Å; N171-C173 WeakPolarHBondContact OD1-CB 3.49Å; N171-C173 PolarHBondContact OD1-N 2.9Å; N171-C173 PolarHBondContact OD1-SG 2.84Å; N171-F174 HydrophobicContact CB-CD2 4.28Å; N171-F174 PolarHBondContact O-N 3.09Å; N171-S175 WeakPolarHBondContact O-CB 3.43Å; N171-S175 PolarHBondContact O-N 2.88Å
172A93.9Very high91.3Very high1 Ų145.1 Ų45.11%0.00824%0.237CC..THydrogen-bonded Turntrans-56.6-31.5-176.800000113.8F13 P22 I25 Y42 G46 F174 S175 S179F13-A172 HydrophobicContact CE1-CB 3.53Å; F13-A172 HydrophobicContact CZ-CB 3.9Å; P22-A172 HydrophobicContact CG-CB 4.43Å; I25-A172 HydrophobicContact CD1-CB 3.68Å; Y42-A172 HydrophobicContact CD1-CB 3.93Å; Y42-A172 HydrophobicContact CE1-CB 3.62Å; Y42-A172 HydrophobicContact CE2-CB 4.4Å; Y42-A172 HydrophobicContact CG-CB 4.45Å; G46-A172 PolarHBondContact O-N 3.22Å; A172-F174 PolarHBondContact O-N 2.91Å; A172-S175 PolarHBondContact O-OG 3.31Å; A172-S179 WeakPolarHBondContact O-CB 3.45Å; A172-S179 PolarHBondContact O-OG 2.89Å
173C95.5Very high91.6Very high0 Ų040.5 Ų40.50%022%0.222CC..THydrogen-bonded Turntrans-72.5-14.9-177.6-54.60000113.1M20 N171 S179 V180 G181 L214M20-C173 HydrophobicContact CE-CB 3.71Å; M20-C173 PolarHBondContact O-SG 3.37Å; M20-C173 VanDerWaalsContact O-SG 3.36Å; N171-C173 PolarHBondContact O-N 3.43Å; N171-C173 VanDerWaalsContact O-N 3.12Å; N171-C173 VanDerWaalsContact OD1-CB 3.29Å; N171-C173 WeakPolarHBondContact OD1-CB 3.49Å; N171-C173 PolarHBondContact OD1-N 2.9Å; N171-C173 PolarHBondContact OD1-SG 2.84Å; C173-S179 CarbonylContact O-C 3.56Å; C173-S179 WeakPolarHBondContact O-CB 2.81Å; C173-V180 HydrophobicContact CB-CG1 4.14Å; C173-G181 WeakPolarHBondContact O-CA 3.38Å; C173-G181 PolarHBondContact O-N 3.13Å; C173-L214 HydrophobicContact CB-CD2 4.34Å
174F95.2Very high91.9Very high0 Ų041.9 Ų41.90%023%0.225CC..THydrogen-bonded Turntrans-130.9-5.8-174.3-57.3-76.4000114.2M20 T167 M168 N171 A172 T176 L185 S210 L213 L214M20-F174 HydrophobicContact CE-CE1 4.34Å; M20-F174 HydrophobicContact CE-CE2 4.06Å; M20-F174 HydrophobicContact CE-CZ 3.62Å; T167-F174 WeakPolarHBondContact O-CB 3.48Å; M168-F174 HydrophobicContact CB-CB 4.3Å; M168-F174 HydrophobicContact CB-CD2 4.11Å; M168-F174 HydrophobicContact CB-CG 4.46Å; M168-F174 HydrophobicContact CE-CD2 4.42Å; M168-F174 HydrophobicContact SD-CD2 4.18Å; M168-F174 HydrophobicContact SD-CE2 4.16Å; N171-F174 HydrophobicContact CB-CD2 4.28Å; N171-F174 PolarHBondContact O-N 3.09Å; A172-F174 PolarHBondContact O-N 2.91Å; F174-T176 VanDerWaalsContact C-N 3.31Å; F174-T176 PolarHBondContact O-N 3Å; F174-L185 HydrophobicContact CD1-CD2 4.23Å; F174-L185 HydrophobicContact CE1-CB 4.16Å; F174-L185 HydrophobicContact CE1-CD2 4.35Å; F174-S210 WeakPolarHBondContact CZ-O 3.38Å; F174-L213 HydrophobicContact CE1-CD1 4.33Å; F174-L213 HydrophobicContact CZ-CB 4.25Å; F174-L213 HydrophobicContact CZ-CD1 4.36Å; F174-L214 HydrophobicContact CE2-CD2 3.84Å; F174-L214 HydrophobicContact CE2-CG 4.41Å
175S90.1Very high92.2Very high46 Ų4641.9 Ų41.932%0.32223%0.225SC..SBendtrans-65.7-25.8-172.6590000115.1N171 A172N171-S175 WeakPolarHBondContact O-CB 3.43Å; N171-S175 PolarHBondContact O-N 2.88Å; A172-S175 PolarHBondContact O-OG 3.31Å
176T89.7Confident92.6Very high71 Ų7140.1 Ų40.144%0.43621%0.213SC..SBendtrans-132.6159.3-179.575.50000111.4F174 N178 S179 V182F174-T176 VanDerWaalsContact C-N 3.31Å; F174-T176 PolarHBondContact O-N 3Å; T176-N178 PolarHBondContact O-N 3.4Å; T176-N178 VanDerWaalsContact O-N 3.11Å; T176-S179 PolarHBondContact N-OG 3.4Å; T176-S179 VanDerWaalsContact O-CB 3.24Å; T176-S179 WeakPolarHBondContact O-CB 3.41Å; T176-S179 PolarHBondContact O-N 2.85Å; T176-S179 PolarHBondContact O-OG 3.15Å; T176-S179 PolarHBondContact OG1-N 3.47Å; T176-S179 PolarHBondContact OG1-OG 3.25Å; T176-V182 WeakPolarHBondContact O-CG2 3.2Å
177L87.4Confident93Very high96 Ų9636.9 Ų36.950%0.50320%0.201SC..THydrogen-bonded Turntrans-59.7-26.8-179.6-16966.8000113.3L165 V182L165-L177 HydrophobicContact CD2-CB 4.3Å; L165-L177 HydrophobicContact CD2-CD1 4.44Å; L177-V182 HydrophobicContact CD1-CG1 4.27Å
178N87.8Confident93.5Very high152 Ų15236.3 Ų36.381%0.81320%0.197SC*.THydrogen-bonded Turntrans-94.2-3.1179.7-62.6-23.1000112.8T176T176-N178 PolarHBondContact O-N 3.4Å; T176-N178 VanDerWaalsContact O-N 3.11Å
179S93.7Very high93.8Very high9 Ų936.2 Ų36.26%0.06320%0.197CC..SBendtrans-62.2143.1177.5-63.10000110.3A172 C173 T176 G181 V182 P183A172-S179 WeakPolarHBondContact O-CB 3.45Å; A172-S179 PolarHBondContact O-OG 2.89Å; C173-S179 CarbonylContact O-C 3.56Å; C173-S179 WeakPolarHBondContact O-CB 2.81Å; T176-S179 PolarHBondContact N-OG 3.4Å; T176-S179 VanDerWaalsContact O-CB 3.24Å; T176-S179 WeakPolarHBondContact O-CB 3.41Å; T176-S179 PolarHBondContact O-N 2.85Å; T176-S179 PolarHBondContact O-OG 3.15Å; T176-S179 PolarHBondContact OG1-N 3.47Å; T176-S179 PolarHBondContact OG1-OG 3.25Å; S179-G181 PolarHBondContact O-N 3.2Å; S179-V182 PolarHBondContact O-N 3.39Å; S179-V182 VanDerWaalsContact O-N 3.14Å; S179-P183 WeakPolarHBondContact O-CD 3.36Å
180V95.2Very high94.1Very high39 Ų3934.1 Ų34.124%0.23618%0.179CC..THydrogen-bonded Turntrans-54.1-31.8-170.863.10000114.3S19 M20 C173 R184S19-V180 WeakPolarHBondContact O-CG2 3.41Å; M20-V180 VanDerWaalsContact O-CG1 3.31Å; M20-V180 WeakPolarHBondContact O-CG1 3.23Å; C173-V180 HydrophobicContact CB-CG1 4.14Å; V180-R184 WeakPolarHBondContact O-CG 3.03Å
181G96.2Very high94.3Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-80.9-30.6-177.600000114.8C173 S179 R184 L185C173-G181 WeakPolarHBondContact O-CA 3.38Å; C173-G181 PolarHBondContact O-N 3.13Å; S179-G181 PolarHBondContact O-N 3.2Å; G181-R184 WeakPolarHBondContact O-CB 3.35Å; G181-R184 PolarHBondContact O-N 3.31Å; G181-R184 VanDerWaalsContact O-N 3.12Å; G181-L185 WeakPolarHBondContact O-CB 3.41Å; G181-L185 PolarHBondContact O-N 2.97Å
182V96.6Very high94.2Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-57.3-49.5-176.4176.40000113.8L164 T176 L177 S179 R184 L185 R186L164-V182 HydrophobicContact CB-CG1 4.28Å; L164-V182 HydrophobicContact CD1-CG1 4.18Å; T176-V182 WeakPolarHBondContact O-CG2 3.2Å; L177-V182 HydrophobicContact CD1-CG1 4.27Å; S179-V182 PolarHBondContact O-N 3.39Å; S179-V182 VanDerWaalsContact O-N 3.14Å; V182-R184 VanDerWaalsContact C-N 3.26Å; V182-R184 PolarHBondContact O-N 3.48Å; V182-L185 PolarHBondContact O-N 3.19Å; V182-R186 WeakPolarHBondContact O-CB 3.19Å; V182-R186 PolarHBondContact O-N 3.41Å
183P95.8Very high93.9Very high44 Ų4433.3 Ų33.329%0.28618%0.175SC..Hα-helixtrans-65.7-29.117825.9-33.9000113.1S179 R187S179-P183 WeakPolarHBondContact O-CD 3.36Å; P183-R187 WeakPolarHBondContact O-CG 3.4Å; P183-R187 PolarHBondContact O-N 2.94Å; P183-R187 PolarHBondContact O-NH1 3.45Å
184R97.2Very high93.6Very high48 Ų4837.9 Ų37.918%0.18119%0.192CC..Hα-helixtrans-71.7-49.4177.1-51.1-173169.7-100.914.9110.9S19 M20 V180 G181 V182 R186 R187 V188 L213 E218S19-R184 VanDerWaalsContact CB-NH2 3.33Å; S19-R184 PolarHBondContact O-NE 2.95Å; S19-R184 PolarHBondContact O-NH2 3.42Å; M20-R184 VanDerWaalsContact SD-CD 3.57Å; V180-R184 WeakPolarHBondContact O-CG 3.03Å; G181-R184 WeakPolarHBondContact O-CB 3.35Å; G181-R184 PolarHBondContact O-N 3.31Å; G181-R184 VanDerWaalsContact O-N 3.12Å; V182-R184 VanDerWaalsContact C-N 3.26Å; V182-R184 PolarHBondContact O-N 3.48Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 PolarHBondContact O-N 3.04Å; R184-R187 PolarHBondContact O-N 3.34Å; R184-R187 VanDerWaalsContact O-N 3.09Å; R184-V188 WeakPolarHBondContact O-CG2 3.17Å; R184-V188 PolarHBondContact O-N 3.21Å; R184-L213 HydrophobicContact CB-CD1 4.09Å; R184-L213 HydrophobicContact CB-CD2 4.27Å; R184-E218 HydrophobicContact CB-CG 4.13Å; R184-E218 VanDerWaalsContact CB-OE2 3.23Å; R184-E218 WeakPolarHBondContact CB-OE2 3.37Å; R184-E218 WeakPolarHBondContact CD-OE2 3.38Å; R184-E218 WeakPolarHBondContact CG-OE2 3.4Å; R184-E218 IonicContact CZ-OE2 3.49Å; R184-E218 IonicContact NE-OE2 3.8Å; R184-E218 IonicContact NH1-OE2 2.66Å; R184-E218 PolarHBondContact NH1-OE2 3.48Å
185L97.4Very high93.1Very high0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-53.5-46174.7177.561.7000111.3L164 T167 F174 G181 V182 R187 V188 L189 I209 S210 L213L164-L185 HydrophobicContact CD2-CB 4.2Å; L164-L185 HydrophobicContact CD2-CD2 3.65Å; L164-L185 HydrophobicContact CD2-CG 3.67Å; T167-L185 HydrophobicContact CG2-CD2 4.19Å; F174-L185 HydrophobicContact CD1-CD2 4.23Å; F174-L185 HydrophobicContact CE1-CB 4.16Å; F174-L185 HydrophobicContact CE1-CD2 4.35Å; G181-L185 WeakPolarHBondContact O-CB 3.41Å; G181-L185 PolarHBondContact O-N 2.97Å; V182-L185 PolarHBondContact O-N 3.19Å; L185-R187 PolarHBondContact O-N 3.47Å; L185-V188 PolarHBondContact O-N 3.06Å; L185-L189 HydrophobicContact CD1-CD1 3.77Å; L185-L189 HydrophobicContact CD1-CG 4.03Å; L185-L189 HydrophobicContact CG-CD1 3.81Å; L185-L189 HydrophobicContact CG-CG 4.45Å; L185-L189 WeakPolarHBondContact O-CB 3.36Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.04Å; L185-I209 HydrophobicContact CD1-CB 3.74Å; L185-I209 HydrophobicContact CD1-CG2 3.49Å; L185-I209 VanDerWaalsContact CD1-CG2 3.49Å; L185-S210 WeakPolarHBondContact CD1-OG 3.17Å; L185-S210 VanDerWaalsContact CD2-OG 3.24Å; L185-S210 WeakPolarHBondContact CD2-OG 3.42Å; L185-L213 HydrophobicContact CB-CD1 4.07Å
186R96.3Very high92.8Very high45 Ų4539.4 Ų39.417%0.1719%0.194CC..Hα-helixtrans-55.7-49.9175.4180-174.8-69105.5-0.9112.2E161 L164 V182 R184 R190E161-R186 VanDerWaalsContact CD-NE 3.29Å; E161-R186 WeakPolarHBondContact OE1-CD 3.36Å; E161-R186 IonicContact OE1-CZ 3.6Å; E161-R186 IonicContact OE1-NE 3.99Å; E161-R186 PolarHBondContact OE1-NE 3.46Å; E161-R186 IonicContact OE1-NH2 3.05Å; E161-R186 IonicContact OE2-CZ 2.79Å; E161-R186 IonicContact OE2-NE 3.58Å; E161-R186 PolarHBondContact OE2-NE 3.43Å; E161-R186 IonicContact OE2-NH2 2.69Å; E161-R186 PolarHBondContact OE2-NH2 3.17Å; L164-R186 HydrophobicContact CD1-CB 3.93Å; L164-R186 HydrophobicContact CD1-CG 4.25Å; L164-R186 VanDerWaalsContact CD1-CZ 3.44Å; L164-R186 HydrophobicContact CD2-CB 4.21Å; V182-R186 WeakPolarHBondContact O-CB 3.19Å; V182-R186 PolarHBondContact O-N 3.41Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 PolarHBondContact O-N 3.04Å; R186-R190 WeakPolarHBondContact O-CB 3.4Å; R186-R190 VanDerWaalsContact O-CG 3.24Å; R186-R190 WeakPolarHBondContact O-CG 3.29Å; R186-R190 PolarHBondContact O-N 2.87Å
187R97.1Very high92.3Very high83 Ų8340.9 Ų40.931%0.31321%0.205SC..Hα-helixtrans-64.2-44-178.6-75.1-170.7-62.8-89.92.2112V146 P183 R184 L185 R190 G191 E218V146-R187 HydrophobicContact CG1-CG 4.19Å; V146-R187 HydrophobicContact CG2-CB 4.33Å; P183-R187 WeakPolarHBondContact O-CG 3.4Å; P183-R187 PolarHBondContact O-N 2.94Å; P183-R187 PolarHBondContact O-NH1 3.45Å; R184-R187 PolarHBondContact O-N 3.34Å; R184-R187 VanDerWaalsContact O-N 3.09Å; L185-R187 PolarHBondContact O-N 3.47Å; R187-R190 PolarHBondContact O-N 3.15Å; R187-G191 PolarHBondContact O-N 2.96Å; R187-E218 IonicContact CZ-OE1 3.28Å; R187-E218 VanDerWaalsContact CZ-OE1 3.25Å; R187-E218 IonicContact CZ-OE2 2.71Å; R187-E218 IonicContact NE-OE1 3.67Å; R187-E218 PolarHBondContact NE-OE1 3.19Å; R187-E218 IonicContact NE-OE2 3.68Å; R187-E218 IonicContact NH2-OE1 3.94Å; R187-E218 PolarHBondContact NH2-OE1 2.93Å; R187-E218 IonicContact NH2-OE2 2.77Å; R187-E218 PolarHBondContact NH2-OE2 3.47Å
188V97.5Very high91.2Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-64.7-46.9178.6178.60000110.8R184 L185 R190 G191 L192 I209 E218 L222R184-V188 WeakPolarHBondContact O-CG2 3.17Å; R184-V188 PolarHBondContact O-N 3.21Å; L185-V188 PolarHBondContact O-N 3.06Å; V188-R190 PolarHBondContact O-N 2.94Å; V188-G191 PolarHBondContact O-N 3.26Å; V188-L192 HydrophobicContact CG1-CD1 4.2Å; V188-L192 WeakPolarHBondContact O-CG 3.24Å; V188-L192 PolarHBondContact O-N 2.97Å; V188-I209 HydrophobicContact CB-CG2 3.96Å; V188-I209 HydrophobicContact CG1-CD1 4.03Å; V188-I209 HydrophobicContact CG1-CG1 4.16Å; V188-I209 HydrophobicContact CG1-CG2 3.7Å; V188-E218 HydrophobicContact CG2-CG 3.81Å; V188-L222 HydrophobicContact CG1-CB 4.22Å; V188-L222 HydrophobicContact CG1-CD1 3.89Å
189L95.8Very high90.7Very high5 Ų534 Ų343%0.02617%0.169CC..Hα-helixtrans-59.8-44177.6-78.6171.6000112.6I160 L164 L185 L192 A193 Y201 T205 I209I160-L189 HydrophobicContact CD1-CB 3.97Å; I160-L189 HydrophobicContact CG1-CB 4.21Å; I160-L189 HydrophobicContact CG2-CB 4.02Å; I160-L189 HydrophobicContact CG2-CD1 3.88Å; L164-L189 HydrophobicContact CD2-CD1 4.06Å; L185-L189 HydrophobicContact CD1-CD1 3.77Å; L185-L189 HydrophobicContact CD1-CG 4.03Å; L185-L189 HydrophobicContact CG-CD1 3.81Å; L185-L189 HydrophobicContact CG-CG 4.45Å; L185-L189 WeakPolarHBondContact O-CB 3.36Å; L185-L189 WeakPolarHBondContact O-CG 3.42Å; L185-L189 PolarHBondContact O-N 3.04Å; L189-L192 PolarHBondContact O-N 3.46Å; L189-A193 WeakPolarHBondContact O-CB 3.43Å; L189-A193 PolarHBondContact O-N 2.93Å; L189-Y201 HydrophobicContact CD1-CE2 4.14Å; L189-Y201 HydrophobicContact CD2-CD2 3.95Å; L189-Y201 HydrophobicContact CD2-CE2 3.75Å; L189-T205 HydrophobicContact CD2-CG2 4.28Å; L189-I209 HydrophobicContact CD2-CD1 3.37Å; L189-I209 HydrophobicContact CG-CD1 3.82Å
190R94.3Very high90Very high36 Ų3634.4 Ų34.414%0.13617%0.174CC..Hα-helixtrans-65.9-42176.2-71.4175.1-178.9-151.7-1.4111.9S149 D152 I160 E161 R186 R187 V188 L192 A193 W194S149-R190 WeakPolarHBondContact CB-O 3.34Å; D152-R190 IonicContact OD1-CZ 2.74Å; D152-R190 IonicContact OD1-NH1 2.68Å; D152-R190 PolarHBondContact OD1-NH1 2.69Å; D152-R190 IonicContact OD1-NH2 2.86Å; D152-R190 PolarHBondContact OD1-NH2 2.91Å; I160-R190 HydrophobicContact CD1-CG 4.1Å; E161-R190 IonicContact OE1-CZ 3.51Å; E161-R190 IonicContact OE1-NE 2.88Å; E161-R190 IonicContact OE1-NH2 3.16Å; E161-R190 PolarHBondContact OE1-NH2 3.42Å; R186-R190 WeakPolarHBondContact O-CB 3.4Å; R186-R190 VanDerWaalsContact O-CG 3.24Å; R186-R190 WeakPolarHBondContact O-CG 3.29Å; R186-R190 PolarHBondContact O-N 2.87Å; R187-R190 PolarHBondContact O-N 3.15Å; V188-R190 PolarHBondContact O-N 2.94Å; R190-L192 VanDerWaalsContact C-N 3.34Å; R190-L192 PolarHBondContact O-N 3.34Å; R190-A193 PolarHBondContact O-N 3.23Å; R190-W194 WeakPolarHBondContact O-CB 3.35Å; R190-W194 PolarHBondContact O-N 2.79Å
191G93.8Very high89.5Confident1 Ų134.1 Ų34.11%0.0117%0.169CC..Hα-helixtrans-58.3-45.5175.600000111.9R187 V188 W194 L195R187-G191 PolarHBondContact O-N 2.96Å; V188-G191 PolarHBondContact O-N 3.26Å; G191-W194 PolarHBondContact O-N 3.3Å; G191-L195 WeakPolarHBondContact O-CB 3.46Å; G191-L195 VanDerWaalsContact O-CG 3.31Å; G191-L195 WeakPolarHBondContact O-CG 3.41Å; G191-L195 PolarHBondContact O-N 3.41Å
192L91.2Very high88.9Confident9 Ų934.7 Ų34.75%0.04717%0.173CC..Hα-helixtrans-65.4-43.4176.1-68.9171.7000112.6V188 L189 R190 W194 L195 Y196 T205 I209 L222 M225 I229V188-L192 HydrophobicContact CG1-CD1 4.2Å; V188-L192 WeakPolarHBondContact O-CG 3.24Å; V188-L192 PolarHBondContact O-N 2.97Å; L189-L192 PolarHBondContact O-N 3.46Å; R190-L192 VanDerWaalsContact C-N 3.34Å; R190-L192 PolarHBondContact O-N 3.34Å; L192-W194 PolarHBondContact O-N 2.95Å; L192-L195 PolarHBondContact O-N 2.75Å; L192-Y196 HydrophobicContact CD2-CD2 4.34Å; L192-Y196 HydrophobicContact CD2-CE2 3.98Å; L192-Y196 WeakPolarHBondContact O-CD2 3.43Å; L192-Y196 PolarHBondContact O-N 3.31Å; L192-T205 HydrophobicContact CD1-CG2 4.41Å; L192-I209 HydrophobicContact CD1-CD1 3.59Å; L192-I209 HydrophobicContact CD1-CG1 4.35Å; L192-L222 HydrophobicContact CD2-CD1 3.69Å; L192-L222 HydrophobicContact CG-CD1 3.67Å; L192-M225 HydrophobicContact CD1-CB 3.7Å; L192-M225 HydrophobicContact CD1-CE 4.34Å; L192-M225 HydrophobicContact CD1-CG 3.96Å; L192-M225 HydrophobicContact CD2-CB 3.92Å; L192-M225 HydrophobicContact CG-CB 4.43Å; L192-I229 HydrophobicContact CD2-CD1 4.19Å
193A89.2Confident88Confident15 Ų1541.4 Ų41.412%0.12420%0.204CC..Hα-helixtrans-60.9-34.8176.700000112.1T156 L189 R190 Y196T156-A193 HydrophobicContact CG2-CB 3.66Å; L189-A193 WeakPolarHBondContact O-CB 3.43Å; L189-A193 PolarHBondContact O-N 2.93Å; R190-A193 PolarHBondContact O-N 3.23Å; A193-Y196 CarbonylContact O-C 3.55Å
194W88.7Confident87.4Confident97 Ų9739.8 Ų39.837%0.36720%0.195SC..Hα-helixtrans-74-42.6175.4-178.684.3000112.6I140 I145 N148 R190 G191 L192 Y196 P197I140-W194 HydrophobicContact CD1-CH2 4.25Å; I140-W194 HydrophobicContact CD1-CZ3 4.46Å; I145-W194 HydrophobicContact CG1-CZ3 4.22Å; I145-W194 HydrophobicContact CG2-CE3 4.31Å; N148-W194 HydrophobicContact CB-CD2 4.27Å; N148-W194 HydrophobicContact CB-CH2 4.16Å; N148-W194 HydrophobicContact CB-CZ2 3.58Å; R190-W194 WeakPolarHBondContact O-CB 3.35Å; R190-W194 PolarHBondContact O-N 2.79Å; G191-W194 PolarHBondContact O-N 3.3Å; L192-W194 PolarHBondContact O-N 2.95Å; W194-Y196 VanDerWaalsContact C-N 3.31Å; W194-Y196 PolarHBondContact O-N 2.98Å; W194-P197 WeakPolarHBondContact O-CD 3.37Å
195L85.2Confident87.1Confident49 Ų4938 Ų3826%0.25719%0.19SC..Hα-helixtrans-65.3-34176.2-74.9171.6000112.5I145 G191 L192 P197 L222I145-L195 HydrophobicContact CD1-CD1 4.12Å; I145-L195 HydrophobicContact CD1-CD2 4.24Å; I145-L195 HydrophobicContact CG1-CD2 4.26Å; I145-L195 HydrophobicContact CG2-CD1 4.34Å; I145-L195 HydrophobicContact CG2-CG 4.32Å; G191-L195 WeakPolarHBondContact O-CB 3.46Å; G191-L195 VanDerWaalsContact O-CG 3.31Å; G191-L195 WeakPolarHBondContact O-CG 3.41Å; G191-L195 PolarHBondContact O-N 3.41Å; L192-L195 PolarHBondContact O-N 2.75Å; L195-P197 WeakPolarHBondContact O-CD 3.45Å; L195-L222 HydrophobicContact CD1-CD2 4.38Å
196Y83.4Confident87Confident28 Ų2838 Ų3811%0.1119%0.19CC..  trans-126.372.2-177.3-51.7-73.4000112.1L192 A193 W194 D198 I199 G200 C226 I229 E230L192-Y196 HydrophobicContact CD2-CD2 4.34Å; L192-Y196 HydrophobicContact CD2-CE2 3.98Å; L192-Y196 WeakPolarHBondContact O-CD2 3.43Å; L192-Y196 PolarHBondContact O-N 3.31Å; A193-Y196 CarbonylContact O-C 3.55Å; W194-Y196 VanDerWaalsContact C-N 3.31Å; W194-Y196 PolarHBondContact O-N 2.98Å; Y196-D198 PolarHBondContact O-N 2.98Å; Y196-D198 VanDerWaalsContact O-N 3.13Å; Y196-I199 HydrophobicContact CD1-CD1 4.47Å; Y196-I199 HydrophobicContact CG-CD1 4.06Å; Y196-I199 WeakPolarHBondContact O-CA 3.4Å; Y196-I199 WeakPolarHBondContact O-CB 3.49Å; Y196-I199 PolarHBondContact O-N 2.83Å; Y196-G200 PolarHBondContact O-N 3.14Å; Y196-C226 WeakPolarHBondContact OH-CB 3.46Å; Y196-C226 PolarHBondContact OH-SG 2.8Å; Y196-C226 VanDerWaalsContact OH-SG 3.33Å; Y196-I229 HydrophobicContact CD1-CG2 4.49Å; Y196-I229 HydrophobicContact CD2-CD1 4.05Å; Y196-I229 HydrophobicContact CE1-CG2 4.33Å; Y196-I229 HydrophobicContact CE2-CD1 3.95Å; Y196-I229 HydrophobicContact CE2-CG2 4.4Å; Y196-E230 HydrophobicContact CE1-CG 4.17Å; Y196-E230 VanDerWaalsContact CE1-OE1 3.28Å; Y196-E230 WeakPolarHBondContact CE1-OE1 3.37Å; Y196-E230 VanDerWaalsContact OH-CD 3.24Å; Y196-E230 PolarHBondContact OH-OE1 3.08Å
197P77.9Confident86.9Confident102 Ų10237.8 Ų37.866%0.66219%0.192SC*.THydrogen-bonded Turntrans-58.9-30.6-177.4-25.234.9000114.1W194 L195 I199 G200W194-P197 WeakPolarHBondContact O-CD 3.37Å; L195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-I199 VanDerWaalsContact C-N 3.26Å; P197-I199 PolarHBondContact O-N 3.17Å; P197-G200 PolarHBondContact O-N 2.95Å
198D64.3Low86.9Confident86 Ų8633.9 Ų33.946%0.4618%0.177SC..THydrogen-bonded Turntrans-68.8-22.4175.6-76.5-42.9000113.8Y196 K399Y196-D198 PolarHBondContact O-N 2.98Å; Y196-D198 VanDerWaalsContact O-N 3.13Å; D198-K399 WeakPolarHBondContact OD1-CE 3.42Å; D198-K399 IonicContact OD1-NZ 3.47Å; D198-K399 PolarHBondContact OD1-NZ 3.4Å
199I78.4Confident86.9Confident19 Ų1933.9 Ų33.910%0.09718%0.177CC..THydrogen-bonded Turntrans-88.8-45.3175-62.2-177000108.8Y196 P197 Y201 I229 F238Y196-I199 HydrophobicContact CD1-CD1 4.47Å; Y196-I199 HydrophobicContact CG-CD1 4.06Å; Y196-I199 WeakPolarHBondContact O-CA 3.4Å; Y196-I199 WeakPolarHBondContact O-CB 3.49Å; Y196-I199 PolarHBondContact O-N 2.83Å; P197-I199 VanDerWaalsContact C-N 3.26Å; P197-I199 PolarHBondContact O-N 3.17Å; I199-Y201 PolarHBondContact O-N 3.45Å; I199-I229 HydrophobicContact CD1-CG2 3.55Å; I199-F238 HydrophobicContact CG2-CB 3.79Å; I199-F238 VanDerWaalsContact CG2-O 3.28Å; I199-F238 WeakPolarHBondContact CG2-O 3.34Å
200G79.3Confident87Confident17 Ų1733.6 Ų33.618%0.17518%0.176CC..  trans64.6-120.9-174.500000110.8Y196 P197Y196-G200 PolarHBondContact O-N 3.14Å; P197-G200 PolarHBondContact O-N 2.95Å
201Y83.9Confident87.1Confident32 Ų3232 Ų3213%0.12517%0.17CC..  trans-126.1127.8175.8173-103.8000110.7Q159 I160 D163 L189 I199Q159-Y201 HydrophobicContact CB-CD1 3.96Å; Q159-Y201 HydrophobicContact CB-CE1 4.45Å; I160-Y201 HydrophobicContact CD1-CD2 4.36Å; I160-Y201 HydrophobicContact CG1-CD1 4.43Å; I160-Y201 HydrophobicContact CG1-CD2 3.57Å; I160-Y201 HydrophobicContact CG1-CE2 4.06Å; I160-Y201 HydrophobicContact CG1-CG 3.79Å; D163-Y201 HydrophobicContact CB-CE1 4.33Å; D163-Y201 WeakPolarHBondContact CB-OH 3.42Å; D163-Y201 WeakPolarHBondContact OD2-CE1 3.21Å; D163-Y201 PolarHBondContact OD2-OH 2.96Å; L189-Y201 HydrophobicContact CD1-CE2 4.14Å; L189-Y201 HydrophobicContact CD2-CD2 3.95Å; L189-Y201 HydrophobicContact CD2-CE2 3.75Å; I199-Y201 PolarHBondContact O-N 3.45Å
202C83.5Confident87.3Confident12 Ų1232 Ų328%0.08117%0.169CC..  trans-112.3130.5175.1-179.20000110.1G204 T205 F238C202-G204 PolarHBondContact O-N 3.43Å; C202-T205 WeakPolarHBondContact O-CB 3.32Å; C202-T205 PolarHBondContact O-N 3.08Å; C202-T205 VanDerWaalsContact O-N 3.09Å; C202-T205 PolarHBondContact O-OG1 2.64Å; C202-F238 HydrophobicContact CB-CB 3.93Å; C202-F238 HydrophobicContact CB-CD1 4.46Å; C202-F238 WeakPolarHBondContact CB-O 3.34Å
203Q77.3Confident87.7Confident141 Ų14131.6 Ų31.666%0.65917%0.167SC*.THydrogen-bonded Turntrans-66.5106.3176.2-170.7-179.80.100109.3L283Q203-L283 WeakPolarHBondContact O-CD2 3.39Å
204G83.8Confident88Confident10 Ų1030.9 Ų30.910%0.10316%0.161CC..THydrogen-bonded Turntrans138.1-35.2-172.200000112C202 G206 M207 V208C202-G204 PolarHBondContact O-N 3.43Å; G204-G206 VanDerWaalsContact C-N 3.26Å; G204-G206 PolarHBondContact O-N 3.49Å; G204-M207 WeakPolarHBondContact O-CB 3.39Å; G204-M207 PolarHBondContact O-N 3.47Å; G204-M207 VanDerWaalsContact O-N 3.11Å; G204-V208 PolarHBondContact O-N 2.97Å
205T91.8Very high88.4Confident10 Ų1026.6 Ų26.66%0.06115%0.145CC..Hα-helixtrans-60.6-36.7177.4-48.70000111.7L189 L192 C202 M207 V208 I209 M225 F238L189-T205 HydrophobicContact CD2-CG2 4.28Å; L192-T205 HydrophobicContact CD1-CG2 4.41Å; C202-T205 WeakPolarHBondContact O-CB 3.32Å; C202-T205 PolarHBondContact O-N 3.08Å; C202-T205 VanDerWaalsContact O-N 3.09Å; C202-T205 PolarHBondContact O-OG1 2.64Å; T205-M207 VanDerWaalsContact C-N 3.31Å; T205-M207 PolarHBondContact O-N 3.25Å; T205-V208 PolarHBondContact O-N 3.19Å; T205-I209 HydrophobicContact CG2-CD1 3.82Å; T205-I209 WeakPolarHBondContact O-CD1 3.44Å; T205-I209 WeakPolarHBondContact O-CG1 3.27Å; T205-I209 PolarHBondContact O-N 3.08Å; T205-I209 VanDerWaalsContact O-N 3.1Å; T205-M225 HydrophobicContact CG2-CE 3.54Å; T205-F238 WeakPolarHBondContact OG1-CD1 3.47Å
206G94.5Very high89Confident1 Ų124.3 Ų24.31%0.0113%0.133CC..Hα-helixtrans-57.5-41175.400000113.2T167 G204 I209 S210T167-G206 WeakPolarHBondContact CG2-O 3.16Å; G204-G206 VanDerWaalsContact C-N 3.26Å; G204-G206 PolarHBondContact O-N 3.49Å; G206-I209 PolarHBondContact O-N 2.76Å; G206-S210 WeakPolarHBondContact O-CB 3.24Å; G206-S210 PolarHBondContact O-N 3.38Å; G206-S210 PolarHBondContact O-OG 2.74Å
207M94.6Very high89.7Confident41 Ų4126.6 Ų26.620%0.20215%0.145CC..Hα-helixtrans-63.1-46.2178.9-173.965.975.800111.6M168 G204 T205 I209 S210 C211 T284 A287M168-M207 HydrophobicContact CG-CE 4.34Å; M168-M207 HydrophobicContact CG-SD 3.44Å; M168-M207 WeakPolarHBondContact CG-SD 3.24Å; M168-M207 HydrophobicContact SD-SD 4.27Å; G204-M207 WeakPolarHBondContact O-CB 3.39Å; G204-M207 PolarHBondContact O-N 3.47Å; G204-M207 VanDerWaalsContact O-N 3.11Å; T205-M207 VanDerWaalsContact C-N 3.31Å; T205-M207 PolarHBondContact O-N 3.25Å; M207-I209 VanDerWaalsContact C-N 3.35Å; M207-I209 PolarHBondContact O-N 3.14Å; M207-S210 PolarHBondContact O-N 3.15Å; M207-C211 PolarHBondContact O-N 2.79Å; M207-C211 VanDerWaalsContact O-N 3.08Å; M207-C211 PolarHBondContact O-SG 2.96Å; M207-T284 HydrophobicContact CB-CG2 4.29Å; M207-A287 HydrophobicContact CG-CB 3.85Å
208V97.1Very high90.6Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-60.4-46.8179.1-173.80000110.6G204 T205 C211 L212 M225 L228 T284 W299G204-V208 PolarHBondContact O-N 2.97Å; T205-V208 PolarHBondContact O-N 3.19Å; V208-C211 PolarHBondContact O-N 2.74Å; V208-L212 HydrophobicContact CG1-CD1 4.13Å; V208-L212 WeakPolarHBondContact O-CG 3.4Å; V208-L212 PolarHBondContact O-N 2.9Å; V208-M225 HydrophobicContact CB-SD 4.07Å; V208-M225 HydrophobicContact CG1-SD 3.59Å; V208-M225 VanDerWaalsContact CG1-SD 3.59Å; V208-L228 HydrophobicContact CG1-CD1 3.93Å; V208-T284 WeakPolarHBondContact CG2-O 3.44Å; V208-W299 HydrophobicContact CG1-CH2 4.21Å; V208-W299 HydrophobicContact CG1-CZ2 4.06Å
209I97.8Very high92.2Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-64.1-45.2-179.9-67.6159.5000111.2L185 V188 L189 L192 T205 G206 M207 C211 L212 L213 M225L185-I209 HydrophobicContact CD1-CB 3.74Å; L185-I209 HydrophobicContact CD1-CG2 3.49Å; L185-I209 VanDerWaalsContact CD1-CG2 3.49Å; V188-I209 HydrophobicContact CB-CG2 3.96Å; V188-I209 HydrophobicContact CG1-CD1 4.03Å; V188-I209 HydrophobicContact CG1-CG1 4.16Å; V188-I209 HydrophobicContact CG1-CG2 3.7Å; L189-I209 HydrophobicContact CD2-CD1 3.37Å; L189-I209 HydrophobicContact CG-CD1 3.82Å; L192-I209 HydrophobicContact CD1-CD1 3.59Å; L192-I209 HydrophobicContact CD1-CG1 4.35Å; T205-I209 HydrophobicContact CG2-CD1 3.82Å; T205-I209 WeakPolarHBondContact O-CD1 3.44Å; T205-I209 WeakPolarHBondContact O-CG1 3.27Å; T205-I209 PolarHBondContact O-N 3.08Å; T205-I209 VanDerWaalsContact O-N 3.1Å; G206-I209 PolarHBondContact O-N 2.76Å; M207-I209 VanDerWaalsContact C-N 3.35Å; M207-I209 PolarHBondContact O-N 3.14Å; I209-C211 VanDerWaalsContact C-N 3.3Å; I209-C211 PolarHBondContact O-N 3.29Å; I209-L212 PolarHBondContact O-N 2.95Å; I209-L213 HydrophobicContact CG2-CD1 3.81Å; I209-L213 HydrophobicContact CG2-CG 4.1Å; I209-L213 WeakPolarHBondContact O-CB 3.39Å; I209-L213 VanDerWaalsContact O-CG 3.29Å; I209-L213 WeakPolarHBondContact O-CG 3.46Å; I209-L213 PolarHBondContact O-N 3.41Å; I209-M225 HydrophobicContact CD1-CG 4.29Å; I209-M225 HydrophobicContact CG1-CE 4.36Å; I209-M225 HydrophobicContact CG1-CG 3.54Å; I209-M225 HydrophobicContact CG1-SD 3.85Å
210S96.8Very high93.2Very high0 Ų021.6 Ų21.60%011%0.11CC..Hα-helixtrans-60-41.9179.3-65.40000111.9T167 M168 F174 L185 G206 M207 L213 L214T167-S210 WeakPolarHBondContact CG2-OG 3.33Å; M168-S210 WeakPolarHBondContact SD-CB 3.31Å; F174-S210 WeakPolarHBondContact CZ-O 3.38Å; L185-S210 WeakPolarHBondContact CD1-OG 3.17Å; L185-S210 VanDerWaalsContact CD2-OG 3.24Å; L185-S210 WeakPolarHBondContact CD2-OG 3.42Å; G206-S210 WeakPolarHBondContact O-CB 3.24Å; G206-S210 PolarHBondContact O-N 3.38Å; G206-S210 PolarHBondContact O-OG 2.74Å; M207-S210 PolarHBondContact O-N 3.15Å; S210-L213 PolarHBondContact O-N 3.29Å; S210-L214 PolarHBondContact O-N 2.8Å
211C97.1Very high94.1Very high2 Ų220.8 Ų20.81%0.01410%0.102CC..Hα-helixtrans-65.3-41.9173.8-720000112.6M207 V208 I209 L213 L214 F215 A287 L295 W299M207-C211 PolarHBondContact O-N 2.79Å; M207-C211 VanDerWaalsContact O-N 3.08Å; M207-C211 PolarHBondContact O-SG 2.96Å; V208-C211 PolarHBondContact O-N 2.74Å; I209-C211 VanDerWaalsContact C-N 3.3Å; I209-C211 PolarHBondContact O-N 3.29Å; C211-L213 VanDerWaalsContact C-N 3.34Å; C211-L213 PolarHBondContact O-N 2.68Å; C211-L214 WeakPolarHBondContact O-CB 3.21Å; C211-L214 PolarHBondContact O-N 3.47Å; C211-F215 WeakPolarHBondContact O-CD2 3.39Å; C211-F215 WeakPolarHBondContact O-CE2 3.47Å; C211-A287 HydrophobicContact CB-CB 4.39Å; C211-L295 HydrophobicContact CB-CD2 4.21Å; C211-W299 HydrophobicContact CB-CH2 3.55Å; C211-W299 HydrophobicContact CB-CZ2 4.38Å; C211-W299 HydrophobicContact CB-CZ3 4.11Å
212L98.3Very high94.8Very high0 Ų019.2 Ų19.20%010%0.096CC..Hα-helixtrans-61.3-43.1174.8-74.7168.6000111.7W125 V208 I209 L214 F215 L216 A221 M224 M225 L228 W299 F303W125-L212 HydrophobicContact CZ3-CD2 4.39Å; V208-L212 HydrophobicContact CG1-CD1 4.13Å; V208-L212 WeakPolarHBondContact O-CG 3.4Å; V208-L212 PolarHBondContact O-N 2.9Å; I209-L212 PolarHBondContact O-N 2.95Å; L212-L214 PolarHBondContact O-N 2.98Å; L212-F215 PolarHBondContact O-N 3.19Å; L212-L216 HydrophobicContact CB-CD1 4.34Å; L212-L216 HydrophobicContact CD2-CD1 3.79Å; L212-L216 WeakPolarHBondContact O-CB 3.35Å; L212-L216 PolarHBondContact O-N 3.09Å; L212-A221 HydrophobicContact CB-CB 4.11Å; L212-M224 HydrophobicContact CD1-CB 4.01Å; L212-M224 HydrophobicContact CD2-CB 4.28Å; L212-M224 HydrophobicContact CD2-CG 4.49Å; L212-M225 HydrophobicContact CD1-CG 3.96Å; L212-M225 HydrophobicContact CD1-SD 3.81Å; L212-L228 HydrophobicContact CD1-CD1 4.49Å; L212-W299 HydrophobicContact CD2-CE3 4.03Å; L212-W299 HydrophobicContact CD2-CH2 4.05Å; L212-W299 HydrophobicContact CD2-CZ3 3.45Å; L212-W299 VanDerWaalsContact CD2-CZ3 3.45Å; L212-W299 HydrophobicContact CG-CH2 3.83Å; L212-W299 HydrophobicContact CG-CZ3 3.7Å; L212-F303 HydrophobicContact CD2-CZ 4.15Å
213L98.3Very high95.5Very high1 Ų119.5 Ų19.51%0.00510%0.095CC..Hα-helixtrans-60.1-30.7179.8-76.4171.8000112.4M20 F174 R184 L185 I209 S210 C211 F215 E218 A221M20-L213 HydrophobicContact CE-CB 4.09Å; M20-L213 WeakPolarHBondContact CG-O 3.48Å; M20-L213 HydrophobicContact SD-CB 4.36Å; F174-L213 HydrophobicContact CE1-CD1 4.33Å; F174-L213 HydrophobicContact CZ-CB 4.25Å; F174-L213 HydrophobicContact CZ-CD1 4.36Å; R184-L213 HydrophobicContact CB-CD1 4.09Å; R184-L213 HydrophobicContact CB-CD2 4.27Å; L185-L213 HydrophobicContact CB-CD1 4.07Å; I209-L213 HydrophobicContact CG2-CD1 3.81Å; I209-L213 HydrophobicContact CG2-CG 4.1Å; I209-L213 WeakPolarHBondContact O-CB 3.39Å; I209-L213 VanDerWaalsContact O-CG 3.29Å; I209-L213 WeakPolarHBondContact O-CG 3.46Å; I209-L213 PolarHBondContact O-N 3.41Å; S210-L213 PolarHBondContact O-N 3.29Å; C211-L213 VanDerWaalsContact C-N 3.34Å; C211-L213 PolarHBondContact O-N 2.68Å; L213-F215 PolarHBondContact O-N 3.22Å; L213-E218 HydrophobicContact CD2-CB 4.16Å; L213-E218 HydrophobicContact CD2-CG 4.32Å; L213-A221 HydrophobicContact CD2-CB 3.83Å; L213-A221 HydrophobicContact CG-CB 4.21Å
214L97Very high96.5Very high0 Ų012.8 Ų12.80%06%0.064CC..Hα-helixtrans-58.5-30175-66.1-175.4000112.7L16 T17 M20 F47 M168 C173 F174 S210 C211 L212L16-L214 WeakPolarHBondContact CA-O 3.46Å; L16-L214 HydrophobicContact CD1-CD2 4.43Å; L16-L214 HydrophobicContact CD2-CB 3.75Å; L16-L214 HydrophobicContact CD2-CD1 4.37Å; L16-L214 HydrophobicContact CD2-CD2 3.74Å; L16-L214 HydrophobicContact CD2-CG 4.14Å; T17-L214 PolarHBondContact N-O 3.37Å; M20-L214 HydrophobicContact CE-CD2 4.21Å; F47-L214 HydrophobicContact CE2-CD1 4.33Å; F47-L214 HydrophobicContact CZ-CD1 4.45Å; M168-L214 HydrophobicContact CE-CD1 3.82Å; C173-L214 HydrophobicContact CB-CD2 4.34Å; F174-L214 HydrophobicContact CE2-CD2 3.84Å; F174-L214 HydrophobicContact CE2-CG 4.41Å; S210-L214 PolarHBondContact O-N 2.8Å; C211-L214 WeakPolarHBondContact O-CB 3.21Å; C211-L214 PolarHBondContact O-N 3.47Å; L212-L214 PolarHBondContact O-N 2.98Å
215F96.6Very high97.1Very high7 Ų712.3 Ų12.33%0.0316%0.059CC..Hα-helixtrans-117.2-16.5-171.3-52.1-61.9000114.1F45 H118 P122 W125 C211 L212 L213 I292 L296F45-F215 AromaticContact CD1-CE1 3.61Å; F45-F215 HydrophobicContact CD1-CE1 3.61Å; F45-F215 AromaticContact CD1-CZ 3.68Å; F45-F215 HydrophobicContact CD1-CZ 3.68Å; F45-F215 AromaticContact CE1-CE1 3.78Å; F45-F215 HydrophobicContact CE1-CE1 3.78Å; F45-F215 AromaticContact CE1-CZ 3.98Å; F45-F215 HydrophobicContact CE1-CZ 3.98Å; H118-F215 AromaticContact CE1-CD1 3.55Å; H118-F215 AromaticContact CE1-CE1 3.64Å; P122-F215 WeakPolarHBondContact CG-O 3.17Å; W125-F215 HydrophobicContact CH2-CD2 4.29Å; W125-F215 HydrophobicContact CZ3-CB 4.24Å; W125-F215 HydrophobicContact CZ3-CD2 4.3Å; C211-F215 WeakPolarHBondContact O-CD2 3.39Å; C211-F215 WeakPolarHBondContact O-CE2 3.47Å; L212-F215 PolarHBondContact O-N 3.19Å; L213-F215 PolarHBondContact O-N 3.22Å; F215-I292 HydrophobicContact CE2-CD1 4.01Å; F215-I292 HydrophobicContact CE2-CG1 4.29Å; F215-I292 HydrophobicContact CZ-CD1 4.08Å; F215-I292 HydrophobicContact CZ-CG1 3.88Å; F215-L296 HydrophobicContact CD2-CD2 3.86Å; F215-L296 HydrophobicContact CE1-CD1 4.47Å; F215-L296 HydrophobicContact CE1-CD2 4.37Å; F215-L296 HydrophobicContact CE2-CD2 3.57Å; F215-L296 HydrophobicContact CE2-CG 4.46Å; F215-L296 HydrophobicContact CG-CD2 4.37Å; F215-L296 HydrophobicContact CZ-CD1 4.23Å; F215-L296 HydrophobicContact CZ-CD2 3.85Å; F215-L296 HydrophobicContact CZ-CG 4.39Å
216L97.8Very high97.3Very high1 Ų111.9 Ų11.91%0.0056%0.056CC..SBendtrans-122.8150.8-174.9-57.9179.7000111P122 W125 L212 D220 A221 M224P122-L216 VanDerWaalsContact CA-CD2 3.46Å; P122-L216 HydrophobicContact CB-CD2 3.83Å; P122-L216 HydrophobicContact CG-CD2 4.46Å; W125-L216 HydrophobicContact CE3-CD1 4.42Å; W125-L216 HydrophobicContact CE3-CD2 4.32Å; W125-L216 HydrophobicContact CE3-CG 4.5Å; L212-L216 HydrophobicContact CB-CD1 4.34Å; L212-L216 HydrophobicContact CD2-CD1 3.79Å; L212-L216 WeakPolarHBondContact O-CB 3.35Å; L212-L216 PolarHBondContact O-N 3.09Å; L216-D220 HydrophobicContact CB-CB 4.31Å; L216-A221 HydrophobicContact CB-CB 4.42Å; L216-M224 HydrophobicContact CD1-CB 4.29Å; L216-M224 HydrophobicContact CD1-CG 3.44Å; L216-M224 VanDerWaalsContact CD1-CG 3.44Å
217E97.3Very high97.3Very high76 Ų7611.8 Ų11.836%0.3556%0.056SC..  trans-63.3151165.9-67.8-53.9121.300110.8T17 S19 E219 D220 A221T17-E217 PolarHBondContact OG1-OE1 3.01Å; S19-E217 VanDerWaalsContact CB-OE1 3.28Å; S19-E217 WeakPolarHBondContact CB-OE1 3.27Å; S19-E217 WeakPolarHBondContact CB-OE2 3.46Å; S19-E217 PolarHBondContact OG-OE1 3.46Å; S19-E217 PolarHBondContact OG-OE2 3.33Å; E217-E219 VanDerWaalsContact C-N 3.3Å; E217-E219 PolarHBondContact O-N 3.36Å; E217-D220 WeakPolarHBondContact O-CA 3.45Å; E217-D220 WeakPolarHBondContact O-CB 3.32Å; E217-D220 PolarHBondContact O-N 3.34Å; E217-A221 PolarHBondContact O-N 2.67Å
218E97.8Very high97.4Very high15 Ų1510 Ų107%0.075%0.047CC..Hα-helixtrans-56.4-40.4-169.4179.6-179.5133.300114.2Y142 R184 R187 V188 L213 L222Y142-E218 HydrophobicContact CE1-CG 4.49Å; Y142-E218 WeakPolarHBondContact OH-CG 3.33Å; Y142-E218 PolarHBondContact OH-OE1 2.83Å; R184-E218 HydrophobicContact CB-CG 4.13Å; R184-E218 VanDerWaalsContact CB-OE2 3.23Å; R184-E218 WeakPolarHBondContact CB-OE2 3.37Å; R184-E218 WeakPolarHBondContact CD-OE2 3.38Å; R184-E218 WeakPolarHBondContact CG-OE2 3.4Å; R184-E218 IonicContact CZ-OE2 3.49Å; R184-E218 IonicContact NE-OE2 3.8Å; R184-E218 IonicContact NH1-OE2 2.66Å; R184-E218 PolarHBondContact NH1-OE2 3.48Å; R187-E218 IonicContact CZ-OE1 3.28Å; R187-E218 VanDerWaalsContact CZ-OE1 3.25Å; R187-E218 IonicContact CZ-OE2 2.71Å; R187-E218 IonicContact NE-OE1 3.67Å; R187-E218 PolarHBondContact NE-OE1 3.19Å; R187-E218 IonicContact NE-OE2 3.68Å; R187-E218 IonicContact NH2-OE1 3.94Å; R187-E218 PolarHBondContact NH2-OE1 2.93Å; R187-E218 IonicContact NH2-OE2 2.77Å; R187-E218 PolarHBondContact NH2-OE2 3.47Å; V188-E218 HydrophobicContact CG2-CG 3.81Å; L213-E218 HydrophobicContact CD2-CB 4.16Å; L213-E218 HydrophobicContact CD2-CG 4.32Å; E218-L222 PolarHBondContact O-N 2.9Å
219E97.9Very high97.1Very high63 Ų6310.9 Ų10.929%0.2945%0.052SC..Hα-helixtrans-66.2-41.9174.9173.1176.6-15200111.5K135 Y142 E217 A221 L222 W223K135-E219 HydrophobicContact CD-CG 4.45Å; K135-E219 WeakPolarHBondContact CE-OE1 3.35Å; K135-E219 VanDerWaalsContact CE-OE2 3.22Å; K135-E219 WeakPolarHBondContact CE-OE2 3.5Å; K135-E219 VanDerWaalsContact NZ-CD 3.26Å; K135-E219 IonicContact NZ-OE1 3.53Å; K135-E219 IonicContact NZ-OE2 3.15Å; K135-E219 PolarHBondContact NZ-OE2 3.09Å; Y142-E219 WeakPolarHBondContact CB-OE1 3.27Å; Y142-E219 HydrophobicContact CD1-CB 4.1Å; Y142-E219 HydrophobicContact CD2-CB 4.08Å; Y142-E219 HydrophobicContact CD2-CG 4.07Å; Y142-E219 HydrophobicContact CG-CB 3.85Å; Y142-E219 HydrophobicContact CG-CG 3.83Å; E217-E219 VanDerWaalsContact C-N 3.3Å; E217-E219 PolarHBondContact O-N 3.36Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.25Å; E219-L222 WeakPolarHBondContact O-CB 3.28Å; E219-L222 PolarHBondContact O-N 2.91Å; E219-L222 VanDerWaalsContact O-N 3.16Å; E219-W223 PolarHBondContact O-N 3.49Å; E219-W223 VanDerWaalsContact O-N 3.16Å
220D98.3Very high96.6Very high24 Ų2413.7 Ų13.713%0.1287%0.065CC..Hα-helixtrans-66.9-37.2-179.7-68-14.8000110.5M126 K135 L216 E217 L222 W223 M224M126-D220 HydrophobicContact CE-CB 3.98Å; M126-D220 HydrophobicContact CG-CB 4.29Å; M126-D220 HydrophobicContact SD-CB 3.77Å; K135-D220 WeakPolarHBondContact CD-OD1 3.44Å; K135-D220 IonicContact NZ-OD1 3.03Å; K135-D220 PolarHBondContact NZ-OD1 3.24Å; L216-D220 HydrophobicContact CB-CB 4.31Å; E217-D220 WeakPolarHBondContact O-CA 3.45Å; E217-D220 WeakPolarHBondContact O-CB 3.32Å; E217-D220 PolarHBondContact O-N 3.34Å; D220-L222 VanDerWaalsContact C-N 3.3Å; D220-L222 PolarHBondContact O-N 3.09Å; D220-W223 PolarHBondContact O-N 3.1Å; D220-M224 WeakPolarHBondContact O-CB 3.05Å; D220-M224 VanDerWaalsContact O-CG 3.32Å; D220-M224 WeakPolarHBondContact O-CG 3.37Å; D220-M224 PolarHBondContact O-N 3.48Å
221A98.5Very high96.2Very high0 Ų017.2 Ų17.20%08%0.083CC..Hα-helixtrans-59.8-37.7172.100000112.6L212 L213 L216 E217 E219 M225L212-A221 HydrophobicContact CB-CB 4.11Å; L213-A221 HydrophobicContact CD2-CB 3.83Å; L213-A221 HydrophobicContact CG-CB 4.21Å; L216-A221 HydrophobicContact CB-CB 4.42Å; E217-A221 PolarHBondContact O-N 2.67Å; E219-A221 VanDerWaalsContact C-N 3.31Å; E219-A221 PolarHBondContact O-N 3.25Å; A221-M225 WeakPolarHBondContact O-CG 3.36Å; A221-M225 PolarHBondContact O-N 2.94Å; A221-M225 VanDerWaalsContact O-N 3.13Å
222L98.3Very high96Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-61.3-50.2172.9-17879.9000110.9Y142 I145 V188 L192 L195 E218 E219 D220 M224 M225 C226Y142-L222 HydrophobicContact CD2-CB 4.26Å; Y142-L222 HydrophobicContact CD2-CD2 3.52Å; Y142-L222 HydrophobicContact CD2-CG 4.47Å; Y142-L222 HydrophobicContact CE2-CB 4.03Å; Y142-L222 HydrophobicContact CE2-CD2 3.77Å; Y142-L222 HydrophobicContact CE2-CG 4.38Å; I145-L222 HydrophobicContact CD1-CD2 3.85Å; I145-L222 HydrophobicContact CG2-CD2 4.3Å; V188-L222 HydrophobicContact CG1-CB 4.22Å; V188-L222 HydrophobicContact CG1-CD1 3.89Å; L192-L222 HydrophobicContact CD2-CD1 3.69Å; L192-L222 HydrophobicContact CG-CD1 3.67Å; L195-L222 HydrophobicContact CD1-CD2 4.38Å; E218-L222 PolarHBondContact O-N 2.9Å; E219-L222 WeakPolarHBondContact O-CB 3.28Å; E219-L222 PolarHBondContact O-N 2.91Å; E219-L222 VanDerWaalsContact O-N 3.16Å; D220-L222 VanDerWaalsContact C-N 3.3Å; D220-L222 PolarHBondContact O-N 3.09Å; L222-M224 PolarHBondContact O-N 3.33Å; L222-M225 WeakPolarHBondContact O-CB 3.44Å; L222-M225 PolarHBondContact O-N 2.86Å; L222-M225 VanDerWaalsContact O-N 3.12Å; L222-C226 PolarHBondContact O-N 3.4Å; L222-C226 PolarHBondContact O-SG 2.63Å
223W97.9Very high95.7Very high17 Ų1718.1 Ų18.16%0.0649%0.088CC..Hα-helixtrans-68.7-33.1-177-69.5113.2000113.1M126 A131 K134 K135 S138 I145 E219 D220 M225 C226 A227M126-W223 HydrophobicContact CE-CB 4.14Å; A131-W223 HydrophobicContact CB-CB 4.25Å; A131-W223 WeakPolarHBondContact CB-O 3.34Å; K134-W223 HydrophobicContact CB-CE3 4.05Å; K134-W223 HydrophobicContact CB-CZ3 4.42Å; K135-W223 HydrophobicContact CB-CB 4.32Å; K135-W223 HydrophobicContact CB-CD2 4.02Å; K135-W223 HydrophobicContact CB-CG 3.73Å; K135-W223 HydrophobicContact CG-CG 4.21Å; S138-W223 VanDerWaalsContact OG-CH2 3.23Å; S138-W223 WeakPolarHBondContact OG-CH2 3.37Å; I145-W223 HydrophobicContact CD1-CH2 4.43Å; I145-W223 HydrophobicContact CD1-CZ2 4.28Å; E219-W223 PolarHBondContact O-N 3.49Å; E219-W223 VanDerWaalsContact O-N 3.16Å; D220-W223 PolarHBondContact O-N 3.1Å; W223-M225 VanDerWaalsContact C-N 3.3Å; W223-M225 PolarHBondContact O-N 3.38Å; W223-C226 HydrophobicContact CE3-CB 4.17Å; W223-C226 WeakPolarHBondContact O-CB 3.45Å; W223-C226 PolarHBondContact O-N 3.21Å; W223-A227 PolarHBondContact O-N 3.17Å
224M98.3Very high95.1Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-60.4-40.9169.3-74.8-59.3-59.900111.7W125 M126 S129 A131 L212 L216 D220 L222 A227 L228 F303W125-M224 HydrophobicContact CB-CE 4.13Å; W125-M224 HydrophobicContact CB-SD 4.41Å; M126-M224 HydrophobicContact CG-SD 4.27Å; M126-M224 HydrophobicContact SD-CG 3.59Å; M126-M224 VanDerWaalsContact SD-CG 3.59Å; M126-M224 HydrophobicContact SD-SD 3.58Å; S129-M224 PolarHBondContact OG-SD 2.69Å; A131-M224 HydrophobicContact CB-CG 4.28Å; A131-M224 HydrophobicContact CB-SD 3.57Å; A131-M224 VanDerWaalsContact CB-SD 3.57Å; L212-M224 HydrophobicContact CD1-CB 4.01Å; L212-M224 HydrophobicContact CD2-CB 4.28Å; L212-M224 HydrophobicContact CD2-CG 4.49Å; L216-M224 HydrophobicContact CD1-CB 4.29Å; L216-M224 HydrophobicContact CD1-CG 3.44Å; L216-M224 VanDerWaalsContact CD1-CG 3.44Å; D220-M224 WeakPolarHBondContact O-CB 3.05Å; D220-M224 VanDerWaalsContact O-CG 3.32Å; D220-M224 WeakPolarHBondContact O-CG 3.37Å; D220-M224 PolarHBondContact O-N 3.48Å; L222-M224 PolarHBondContact O-N 3.33Å; M224-A227 PolarHBondContact O-N 3.16Å; M224-L228 PolarHBondContact O-N 3.31Å; M224-F303 HydrophobicContact CE-CD1 3.55Å; M224-F303 HydrophobicContact CE-CD2 3.82Å; M224-F303 HydrophobicContact CE-CE1 3.33Å; M224-F303 HydrophobicContact CE-CE2 3.6Å; M224-F303 HydrophobicContact CE-CG 3.81Å; M224-F303 HydrophobicContact CE-CZ 3.37Å
225M97.2Very high94.2Very high0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-66.7-39.3174.5-75.5-58.8-54.500112.5L192 T205 V208 I209 L212 A221 L222 W223 A227 L228 I229L192-M225 HydrophobicContact CD1-CB 3.7Å; L192-M225 HydrophobicContact CD1-CE 4.34Å; L192-M225 HydrophobicContact CD1-CG 3.96Å; L192-M225 HydrophobicContact CD2-CB 3.92Å; L192-M225 HydrophobicContact CG-CB 4.43Å; T205-M225 HydrophobicContact CG2-CE 3.54Å; V208-M225 HydrophobicContact CB-SD 4.07Å; V208-M225 HydrophobicContact CG1-SD 3.59Å; V208-M225 VanDerWaalsContact CG1-SD 3.59Å; I209-M225 HydrophobicContact CD1-CG 4.29Å; I209-M225 HydrophobicContact CG1-CE 4.36Å; I209-M225 HydrophobicContact CG1-CG 3.54Å; I209-M225 HydrophobicContact CG1-SD 3.85Å; L212-M225 HydrophobicContact CD1-CG 3.96Å; L212-M225 HydrophobicContact CD1-SD 3.81Å; A221-M225 WeakPolarHBondContact O-CG 3.36Å; A221-M225 PolarHBondContact O-N 2.94Å; A221-M225 VanDerWaalsContact O-N 3.13Å; L222-M225 WeakPolarHBondContact O-CB 3.44Å; L222-M225 PolarHBondContact O-N 2.86Å; L222-M225 VanDerWaalsContact O-N 3.12Å; W223-M225 VanDerWaalsContact C-N 3.3Å; W223-M225 PolarHBondContact O-N 3.38Å; M225-A227 VanDerWaalsContact C-N 3.32Å; M225-A227 PolarHBondContact O-N 3.12Å; M225-L228 PolarHBondContact O-N 2.87Å; M225-L228 HydrophobicContact SD-CD1 3.81Å; M225-I229 HydrophobicContact CE-CD1 4.39Å; M225-I229 WeakPolarHBondContact O-CB 3.27Å; M225-I229 WeakPolarHBondContact O-CD1 3.43Å; M225-I229 VanDerWaalsContact O-CG1 3.23Å; M225-I229 WeakPolarHBondContact O-CG1 3.44Å; M225-I229 PolarHBondContact O-N 3.5Å
226C95.4Very high93.4Very high1 Ų119.5 Ų19.51%0.00710%0.098CC..Hα-helixtrans-58.1-44.8171.6-68.30000111.4K134 Y196 L222 W223 L228 I229 E230K134-C226 HydrophobicContact CD-CB 4.4Å; Y196-C226 WeakPolarHBondContact OH-CB 3.46Å; Y196-C226 PolarHBondContact OH-SG 2.8Å; Y196-C226 VanDerWaalsContact OH-SG 3.33Å; L222-C226 PolarHBondContact O-N 3.4Å; L222-C226 PolarHBondContact O-SG 2.63Å; W223-C226 HydrophobicContact CE3-CB 4.17Å; W223-C226 WeakPolarHBondContact O-CB 3.45Å; W223-C226 PolarHBondContact O-N 3.21Å; C226-L228 PolarHBondContact O-N 3.35Å; C226-I229 PolarHBondContact O-N 3.11Å; C226-E230 VanDerWaalsContact O-CB 3.31Å; C226-E230 WeakPolarHBondContact O-CB 3.35Å; C226-E230 WeakPolarHBondContact O-CG 3.22Å; C226-E230 PolarHBondContact O-N 3.35Å
227A96.1Very high92.7Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-62.5-40.917500000112.8A131 W223 M224 M225 D231 L232A131-A227 HydrophobicContact CB-CB 4Å; W223-A227 PolarHBondContact O-N 3.17Å; M224-A227 PolarHBondContact O-N 3.16Å; M225-A227 VanDerWaalsContact C-N 3.32Å; M225-A227 PolarHBondContact O-N 3.12Å; A227-D231 WeakPolarHBondContact O-CB 3.36Å; A227-D231 PolarHBondContact O-N 2.93Å; A227-L232 PolarHBondContact O-N 3.38Å
228L95.7Very high92.1Very high2 Ų216.2 Ų16.21%0.018%0.082CC..Iπ-helixtrans-61.3-45.7174.7-81.6166.9000112.4V208 L212 M224 M225 C226 L232 L233 L302 F303V208-L228 HydrophobicContact CG1-CD1 3.93Å; L212-L228 HydrophobicContact CD1-CD1 4.49Å; M224-L228 PolarHBondContact O-N 3.31Å; M225-L228 PolarHBondContact O-N 2.87Å; M225-L228 HydrophobicContact SD-CD1 3.81Å; C226-L228 PolarHBondContact O-N 3.35Å; L228-L232 HydrophobicContact CD2-CB 4.21Å; L228-L232 HydrophobicContact CD2-CD1 3.73Å; L228-L232 HydrophobicContact CG-CD1 4.13Å; L228-L233 HydrophobicContact CD2-CD1 4.4Å; L228-L233 HydrophobicContact CD2-CG 4.45Å; L228-L233 VanDerWaalsContact O-CB 3.3Å; L228-L233 WeakPolarHBondContact O-CB 3.45Å; L228-L233 WeakPolarHBondContact O-CG 3.33Å; L228-L233 PolarHBondContact O-N 3.48Å; L228-L302 HydrophobicContact CD2-CD2 4.15Å; L228-F303 HydrophobicContact CD1-CE1 4.35Å; L228-F303 HydrophobicContact CD2-CE1 4.11Å; L228-F303 HydrophobicContact CG-CE1 4.24Å
229I91.1Very high91.2Very high19 Ų1915.9 Ų15.910%0.0978%0.082CC..Iπ-helixtrans-70.6-40.9-176.6-70166.5000111.9L192 Y196 I199 M225 C226 F238L192-I229 HydrophobicContact CD2-CD1 4.19Å; Y196-I229 HydrophobicContact CD1-CG2 4.49Å; Y196-I229 HydrophobicContact CD2-CD1 4.05Å; Y196-I229 HydrophobicContact CE1-CG2 4.33Å; Y196-I229 HydrophobicContact CE2-CD1 3.95Å; Y196-I229 HydrophobicContact CE2-CG2 4.4Å; I199-I229 HydrophobicContact CD1-CG2 3.55Å; M225-I229 HydrophobicContact CE-CD1 4.39Å; M225-I229 WeakPolarHBondContact O-CB 3.27Å; M225-I229 WeakPolarHBondContact O-CD1 3.43Å; M225-I229 VanDerWaalsContact O-CG1 3.23Å; M225-I229 WeakPolarHBondContact O-CG1 3.44Å; M225-I229 PolarHBondContact O-N 3.5Å; C226-I229 PolarHBondContact O-N 3.11Å; I229-F238 HydrophobicContact CG1-CD2 3.84Å; I229-F238 HydrophobicContact CG1-CE2 3.96Å
230E86.3Confident90Very high59 Ų5918.2 Ų18.228%0.27611%0.105SC..Iπ-helixtrans-92-40.5-170.8-65.7-179174.400113.1K134 Y196 C226K134-E230 WeakPolarHBondContact CE-OE2 3.33Å; K134-E230 IonicContact NZ-OE2 3.95Å; K134-E230 PolarHBondContact NZ-OE2 3.15Å; Y196-E230 HydrophobicContact CE1-CG 4.17Å; Y196-E230 VanDerWaalsContact CE1-OE1 3.28Å; Y196-E230 WeakPolarHBondContact CE1-OE1 3.37Å; Y196-E230 VanDerWaalsContact OH-CD 3.24Å; Y196-E230 PolarHBondContact OH-OE1 3.08Å; C226-E230 VanDerWaalsContact O-CB 3.31Å; C226-E230 WeakPolarHBondContact O-CB 3.35Å; C226-E230 WeakPolarHBondContact O-CG 3.22Å; C226-E230 PolarHBondContact O-N 3.35Å
231D89.6Confident88.8Confident74 Ų7418.7 Ų18.740%0.39611%0.109SC..Iπ-helixtrans-114.4-44.6-165-52.2-24.8000112.6K134 A227K134-D231 WeakPolarHBondContact CE-OD2 3.39Å; K134-D231 VanDerWaalsContact NZ-CG 3.26Å; K134-D231 IonicContact NZ-OD1 3.78Å; K134-D231 PolarHBondContact NZ-OD1 2.8Å; K134-D231 IonicContact NZ-OD2 3.5Å; K134-D231 PolarHBondContact NZ-OD2 3.38Å; A227-D231 WeakPolarHBondContact O-CB 3.36Å; A227-D231 PolarHBondContact O-N 2.93Å
232L92.6Very high87.9Confident20 Ų2020.7 Ų20.711%0.10512%0.12CC..Iπ-helixtrans-84.9-41.5-169.2-59.2172.8000113.2A227 L228 F303 S307A227-L232 PolarHBondContact O-N 3.38Å; L228-L232 HydrophobicContact CD2-CB 4.21Å; L228-L232 HydrophobicContact CD2-CD1 3.73Å; L228-L232 HydrophobicContact CG-CD1 4.13Å; L232-F303 HydrophobicContact CD1-CD1 3.73Å; L232-F303 HydrophobicContact CD1-CE1 4.24Å; L232-S307 WeakPolarHBondContact O-CB 3.42Å; L232-S307 PolarHBondContact O-OG 3.25Å
233L92.4Very high87Confident1 Ų120.8 Ų20.81%0.00512%0.12CC..SBendtrans-97.6157.1-178.6-61.1173.9000111.8L228 Y237 F238 L310 R407L228-L233 HydrophobicContact CD2-CD1 4.4Å; L228-L233 HydrophobicContact CD2-CG 4.45Å; L228-L233 VanDerWaalsContact O-CB 3.3Å; L228-L233 WeakPolarHBondContact O-CB 3.45Å; L228-L233 WeakPolarHBondContact O-CG 3.33Å; L228-L233 PolarHBondContact O-N 3.48Å; L233-Y237 HydrophobicContact CB-CD2 4.19Å; L233-Y237 HydrophobicContact CB-CG 4.11Å; L233-Y237 HydrophobicContact CD1-CD1 3.95Å; L233-Y237 HydrophobicContact CD1-CE1 4.32Å; L233-Y237 HydrophobicContact CD1-CG 4.28Å; L233-Y237 HydrophobicContact CD2-CE1 4.33Å; L233-F238 HydrophobicContact CD1-CE2 3.6Å; L233-F238 HydrophobicContact CD1-CZ 3.67Å; L233-L310 HydrophobicContact CD2-CD1 3.87Å; L233-R407 PolarHBondContact O-NH2 3.14Å
234P85.6Confident86.4Confident11 Ų1120.2 Ų20.27%0.07112%0.119CC..PPolyproline II helixtrans-59.1151.9170.5-25.132.7000113.1Y237P234-Y237 HydrophobicContact CB-CD2 4.03Å; P234-Y237 HydrophobicContact CB-CE2 4.38Å; P234-Y237 HydrophobicContact CG-CD2 3.99Å; P234-Y237 HydrophobicContact CG-CE2 3.88Å; P234-Y237 WeakPolarHBondContact O-CB 3.28Å; P234-Y237 PolarHBondContact O-N 3.43Å
235P77.5Confident85.9Confident16 Ų1620.2 Ų20.210%0.10412%0.119CC..THydrogen-bonded Turntrans-54.1152.3171.1-2736.4000112.8Y237 G244 R403 Q404P235-Y237 PolarHBondContact O-N 2.94Å; P235-Y237 VanDerWaalsContact O-N 3.15Å; P235-G244 VanDerWaalsContact O-CA 3.26Å; P235-G244 WeakPolarHBondContact O-CA 3.3Å; P235-R403 HydrophobicContact CB-CB 3.63Å; P235-R403 HydrophobicContact CG-CB 3.78Å; P235-Q404 HydrophobicContact CG-CG 4.18Å
236S79.6Confident85.3Confident10 Ų1023.5 Ų23.57%0.0714%0.135CC..THydrogen-bonded Turntrans62.417.6177.2-58.30000114.6F238 S239 L242 L243 G244 V400S236-F238 PolarHBondContact O-N 3.35Å; S236-S239 WeakPolarHBondContact CA-OG 3.46Å; S236-S239 VanDerWaalsContact CB-OG 3.3Å; S236-S239 WeakPolarHBondContact CB-OG 3.37Å; S236-S239 PolarHBondContact O-N 3.16Å; S236-S239 PolarHBondContact O-OG 3.37Å; S236-L242 CarbonylContact O-C 3.4Å; S236-L243 PolarHBondContact O-N 3.44Å; S236-G244 PolarHBondContact O-N 3.5Å; S236-V400 WeakPolarHBondContact OG-CG2 3.24Å
237Y84.1Confident85Confident4 Ų423.8 Ų23.82%0.01614%0.136CC..THydrogen-bonded Turntrans-58.3-46.8176.1-135.9-99.3000113.4L233 P234 P235 L242 V245 D248 F282L233-Y237 HydrophobicContact CB-CD2 4.19Å; L233-Y237 HydrophobicContact CB-CG 4.11Å; L233-Y237 HydrophobicContact CD1-CD1 3.95Å; L233-Y237 HydrophobicContact CD1-CE1 4.32Å; L233-Y237 HydrophobicContact CD1-CG 4.28Å; L233-Y237 HydrophobicContact CD2-CE1 4.33Å; P234-Y237 HydrophobicContact CB-CD2 4.03Å; P234-Y237 HydrophobicContact CB-CE2 4.38Å; P234-Y237 HydrophobicContact CG-CD2 3.99Å; P234-Y237 HydrophobicContact CG-CE2 3.88Å; P234-Y237 WeakPolarHBondContact O-CB 3.28Å; P234-Y237 PolarHBondContact O-N 3.43Å; P235-Y237 PolarHBondContact O-N 2.94Å; P235-Y237 VanDerWaalsContact O-N 3.15Å; Y237-L242 VanDerWaalsContact O-CD2 3.26Å; Y237-L242 WeakPolarHBondContact O-CD2 2.79Å; Y237-V245 HydrophobicContact CD1-CB 4.02Å; Y237-V245 HydrophobicContact CD2-CB 4.21Å; Y237-V245 HydrophobicContact CE1-CB 3.76Å; Y237-V245 HydrophobicContact CE1-CG2 3.89Å; Y237-V245 HydrophobicContact CE2-CB 3.94Å; Y237-V245 HydrophobicContact CE2-CG2 4.5Å; Y237-V245 HydrophobicContact CG-CB 4.26Å; Y237-D248 HydrophobicContact CE2-CB 4.35Å; Y237-D248 VanDerWaalsContact CE2-OD2 3.28Å; Y237-D248 WeakPolarHBondContact CE2-OD2 3.08Å; Y237-D248 PolarHBondContact OH-OD2 3.13Å; Y237-D248 VanDerWaalsContact OH-OD2 3.05Å; Y237-F282 HydrophobicContact CE1-CB 4.49Å; Y237-F282 WeakPolarHBondContact OH-CB 3.44Å; Y237-F282 WeakPolarHBondContact OH-CD1 3.41Å
238F83.6Confident85Confident4 Ų423.8 Ų23.82%0.01814%0.136CC..THydrogen-bonded Turntrans-102.49179.2-57.1-71.9000112.5I199 C202 T205 I229 L233 S236 L283I199-F238 HydrophobicContact CG2-CB 3.79Å; I199-F238 VanDerWaalsContact CG2-O 3.28Å; I199-F238 WeakPolarHBondContact CG2-O 3.34Å; C202-F238 HydrophobicContact CB-CB 3.93Å; C202-F238 HydrophobicContact CB-CD1 4.46Å; C202-F238 WeakPolarHBondContact CB-O 3.34Å; T205-F238 WeakPolarHBondContact OG1-CD1 3.47Å; I229-F238 HydrophobicContact CG1-CD2 3.84Å; I229-F238 HydrophobicContact CG1-CE2 3.96Å; L233-F238 HydrophobicContact CD1-CE2 3.6Å; L233-F238 HydrophobicContact CD1-CZ 3.67Å; S236-F238 PolarHBondContact O-N 3.35Å; F238-L283 HydrophobicContact CD1-CD1 3.97Å; F238-L283 HydrophobicContact CE1-CD1 4.24Å; F238-L283 VanDerWaalsContact CE1-O 3.3Å; F238-L283 WeakPolarHBondContact CE1-O 2.94Å
239S80.2Confident85Confident9 Ų924.3 Ų24.36%0.06314%0.139CC..SBendtrans-73.5166.4178.671.30000111.3S236 T241 L242S236-S239 WeakPolarHBondContact CA-OG 3.46Å; S236-S239 VanDerWaalsContact CB-OG 3.3Å; S236-S239 WeakPolarHBondContact CB-OG 3.37Å; S236-S239 PolarHBondContact O-N 3.16Å; S236-S239 PolarHBondContact O-OG 3.37Å; S239-T241 PolarHBondContact O-N 3.27Å; S239-T241 VanDerWaalsContact O-N 3.14Å; S239-T241 PolarHBondContact OG-OG1 3.08Å; S239-T241 VanDerWaalsContact OG-OG1 3.12Å; S239-L242 VanDerWaalsContact O-CD2 3.31Å; S239-L242 WeakPolarHBondContact O-CD2 3.48Å; S239-L242 PolarHBondContact O-N 3.37Å; S239-L242 PolarHBondContact OG-N 3.44Å
240S72.6Confident85Confident112 Ų11228.1 Ų28.178%0.78315%0.152SC*.THydrogen-bonded Turntrans-57.7-27.5175.856.50000114
241T72.5Confident85.5Confident34 Ų3425.3 Ų25.321%0.20914%0.139CC..THydrogen-bonded Turntrans-85.2-14.4177.461.20000113.2S239 L243 Q246 N396S239-T241 PolarHBondContact O-N 3.27Å; S239-T241 VanDerWaalsContact O-N 3.14Å; S239-T241 PolarHBondContact OG-OG1 3.08Å; S239-T241 VanDerWaalsContact OG-OG1 3.12Å; T241-L243 PolarHBondContact O-N 2.82Å; T241-Q246 PolarHBondContact O-NE2 2.92Å; T241-N396 WeakPolarHBondContact CG2-OD1 3.17Å
242L78.9Confident85.9Confident42 Ų4221.9 Ų21.922%0.2212%0.12CC..  trans51.223.8-177.5-63.1179.1000113.9S236 Y237 S239 G244 V245 Q246 L283S236-L242 CarbonylContact O-C 3.4Å; Y237-L242 VanDerWaalsContact O-CD2 3.26Å; Y237-L242 WeakPolarHBondContact O-CD2 2.79Å; S239-L242 VanDerWaalsContact O-CD2 3.31Å; S239-L242 WeakPolarHBondContact O-CD2 3.48Å; S239-L242 PolarHBondContact O-N 3.37Å; S239-L242 PolarHBondContact OG-N 3.44Å; L242-G244 PolarHBondContact O-N 3.08Å; L242-G244 VanDerWaalsContact O-N 3.17Å; L242-V245 HydrophobicContact CB-CG1 3.68Å; L242-V245 HydrophobicContact CD2-CG1 4.19Å; L242-V245 HydrophobicContact CG-CG1 4.4Å; L242-V245 WeakPolarHBondContact O-CG1 3.07Å; L242-V245 PolarHBondContact O-N 3.21Å; L242-V245 VanDerWaalsContact O-N 3.15Å; L242-Q246 HydrophobicContact CB-CG 4.5Å; L242-Q246 WeakPolarHBondContact O-CG 3.24Å; L242-Q246 PolarHBondContact O-N 3.2Å; L242-L283 HydrophobicContact CD2-CD1 4.02Å
243L80.3Confident85.9Confident2 Ų224.2 Ų24.21%0.0113%0.128CC..Hα-helixtrans-61.6-33.5-169-170.266.1000112.6S236 T241 T247 L375 I378 L379 V400S236-L243 PolarHBondContact O-N 3.44Å; T241-L243 PolarHBondContact O-N 2.82Å; L243-T247 WeakPolarHBondContact O-CB 3.46Å; L243-T247 PolarHBondContact O-N 3.37Å; L243-T247 PolarHBondContact O-OG1 3.37Å; L243-L375 HydrophobicContact CD1-CD1 4.09Å; L243-L375 HydrophobicContact CD2-CD1 3.41Å; L243-L375 VanDerWaalsContact CD2-CD1 3.41Å; L243-L375 HydrophobicContact CG-CD1 3.55Å; L243-I378 HydrophobicContact CD1-CB 4.29Å; L243-I378 HydrophobicContact CD1-CG2 3.51Å; L243-L379 HydrophobicContact CD2-CD2 3.98Å; L243-L379 HydrophobicContact CD2-CG 4.47Å; L243-V400 HydrophobicContact CD2-CG1 4.45Å; L243-V400 HydrophobicContact CD2-CG2 3.67Å
244G85.1Confident86Confident4 Ų426.8 Ų26.84%0.04114%0.14CC..Hα-helixtrans-63.4-49.1176.600000112.5P235 S236 L242 T247 D248P235-G244 VanDerWaalsContact O-CA 3.26Å; P235-G244 WeakPolarHBondContact O-CA 3.3Å; S236-G244 PolarHBondContact O-N 3.5Å; L242-G244 PolarHBondContact O-N 3.08Å; L242-G244 VanDerWaalsContact O-N 3.17Å; G244-T247 WeakPolarHBondContact O-CB 3.46Å; G244-T247 PolarHBondContact O-N 2.75Å; G244-D248 PolarHBondContact O-N 3.41Å; G244-D248 VanDerWaalsContact O-N 3.11Å
245V86.9Confident86.5Confident0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-72.1-37.218063.80000111.7Y237 L242 T247 D248 Q249 L279 F282Y237-V245 HydrophobicContact CD1-CB 4.02Å; Y237-V245 HydrophobicContact CD2-CB 4.21Å; Y237-V245 HydrophobicContact CE1-CB 3.76Å; Y237-V245 HydrophobicContact CE1-CG2 3.89Å; Y237-V245 HydrophobicContact CE2-CB 3.94Å; Y237-V245 HydrophobicContact CE2-CG2 4.5Å; Y237-V245 HydrophobicContact CG-CB 4.26Å; L242-V245 HydrophobicContact CB-CG1 3.68Å; L242-V245 HydrophobicContact CD2-CG1 4.19Å; L242-V245 HydrophobicContact CG-CG1 4.4Å; L242-V245 WeakPolarHBondContact O-CG1 3.07Å; L242-V245 PolarHBondContact O-N 3.21Å; L242-V245 VanDerWaalsContact O-N 3.15Å; V245-T247 VanDerWaalsContact C-N 3.3Å; V245-T247 PolarHBondContact O-N 3.38Å; V245-D248 CarbonylContact O-C 2.89Å; V245-D248 WeakPolarHBondContact O-CB 3.5Å; V245-D248 PolarHBondContact O-N 3.47Å; V245-D248 VanDerWaalsContact O-N 3.13Å; V245-Q249 WeakPolarHBondContact O-CG 3.49Å; V245-Q249 PolarHBondContact O-N 3.42Å; V245-L279 HydrophobicContact CG2-CG 4.35Å; V245-F282 HydrophobicContact CG2-CB 3.87Å
246Q85.1Confident87.4Confident70 Ų7025.5 Ų25.533%0.32713%0.131SC..Hα-helixtrans-60-41.3173.9-71.2-17455.900112T241 L242 D248 Q249 R250 I378T241-Q246 PolarHBondContact O-NE2 2.92Å; L242-Q246 HydrophobicContact CB-CG 4.5Å; L242-Q246 WeakPolarHBondContact O-CG 3.24Å; L242-Q246 PolarHBondContact O-N 3.2Å; Q246-D248 VanDerWaalsContact C-N 3.35Å; Q246-Q249 PolarHBondContact O-N 3.15Å; Q246-R250 PolarHBondContact O-N 2.67Å; Q246-R250 VanDerWaalsContact O-N 3.12Å; Q246-I378 HydrophobicContact CB-CD1 4.24Å
247T90.1Very high88.2Confident7 Ų728.4 Ų28.44%0.04315%0.149CC..Hα-helixtrans-59.7-47.9173.3-59.10000110.3L243 G244 V245 Q249 R250 V251 R371 H374 L375L243-T247 WeakPolarHBondContact O-CB 3.46Å; L243-T247 PolarHBondContact O-N 3.37Å; L243-T247 PolarHBondContact O-OG1 3.37Å; G244-T247 WeakPolarHBondContact O-CB 3.46Å; G244-T247 PolarHBondContact O-N 2.75Å; V245-T247 VanDerWaalsContact C-N 3.3Å; V245-T247 PolarHBondContact O-N 3.38Å; T247-Q249 VanDerWaalsContact C-N 3.27Å; T247-Q249 PolarHBondContact O-N 2.8Å; T247-R250 PolarHBondContact O-N 2.78Å; T247-R250 VanDerWaalsContact O-N 3.15Å; T247-V251 HydrophobicContact CG2-CG2 4.43Å; T247-V251 VanDerWaalsContact O-CG2 3.26Å; T247-V251 WeakPolarHBondContact O-CG2 3.39Å; T247-V251 PolarHBondContact O-N 3.23Å; T247-R371 HydrophobicContact CG2-CB 4.06Å; T247-R371 HydrophobicContact CG2-CG 4.2Å; T247-R371 VanDerWaalsContact CG2-O 3.31Å; T247-R371 WeakPolarHBondContact CG2-O 3.23Å; T247-H374 HydrophobicContact CG2-CB 4.16Å; T247-L375 HydrophobicContact CG2-CB 4.05Å
248D95.9Very high88.7Confident0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-60.8-33.6176.8-83.64000112.4Y237 G244 V245 Q246 V251 L252 F282 F311 R371Y237-D248 HydrophobicContact CE2-CB 4.35Å; Y237-D248 VanDerWaalsContact CE2-OD2 3.28Å; Y237-D248 WeakPolarHBondContact CE2-OD2 3.08Å; Y237-D248 PolarHBondContact OH-OD2 3.13Å; Y237-D248 VanDerWaalsContact OH-OD2 3.05Å; G244-D248 PolarHBondContact O-N 3.41Å; G244-D248 VanDerWaalsContact O-N 3.11Å; V245-D248 CarbonylContact O-C 2.89Å; V245-D248 WeakPolarHBondContact O-CB 3.5Å; V245-D248 PolarHBondContact O-N 3.47Å; V245-D248 VanDerWaalsContact O-N 3.13Å; Q246-D248 VanDerWaalsContact C-N 3.35Å; D248-V251 PolarHBondContact O-N 2.76Å; D248-L252 WeakPolarHBondContact O-CB 3.44Å; D248-L252 PolarHBondContact O-N 3.32Å; D248-F282 HydrophobicContact CB-CD1 4.11Å; D248-F282 HydrophobicContact CB-CE1 4.34Å; D248-F311 HydrophobicContact CB-CE1 4.39Å; D248-F311 HydrophobicContact CB-CE2 4.44Å; D248-F311 HydrophobicContact CB-CZ 3.64Å; D248-F311 VanDerWaalsContact CG-CZ 3.45Å; D248-F311 VanDerWaalsContact O-CE1 3.31Å; D248-F311 WeakPolarHBondContact O-CE1 3.5Å; D248-R371 IonicContact OD1-CZ 3.86Å; D248-R371 IonicContact OD1-NE 3.61Å; D248-R371 PolarHBondContact OD1-NE 3.19Å; D248-R371 IonicContact OD1-NH2 2.67Å; D248-R371 PolarHBondContact OD1-NH2 2.97Å; D248-R371 IonicContact OD2-CZ 3.25Å; D248-R371 IonicContact OD2-NE 3.8Å; D248-R371 IonicContact OD2-NH2 2.97Å; D248-R371 PolarHBondContact OD2-NH2 3.32Å; D248-R371 VanDerWaalsContact OD2-NH2 3.14Å
249Q94.6Very high89.3Confident12 Ų1235.9 Ų35.96%0.05618%0.182CC..Hα-helixtrans-65.7-41.6173.7-63-47.1-68.400112.6V245 Q246 T247 V251 L252 R253 T278 L279V245-Q249 WeakPolarHBondContact O-CG 3.49Å; V245-Q249 PolarHBondContact O-N 3.42Å; Q246-Q249 PolarHBondContact O-N 3.15Å; T247-Q249 VanDerWaalsContact C-N 3.27Å; T247-Q249 PolarHBondContact O-N 2.8Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; Q249-L252 PolarHBondContact O-N 3.38Å; Q249-R253 PolarHBondContact O-N 3.31Å; Q249-T278 PolarHBondContact OE1-OG1 3.5Å; Q249-L279 HydrophobicContact CG-CB 4.19Å
250R92.1Very high90.1Very high100 Ų10035.4 Ų35.438%0.37718%0.179SC..Hα-helixtrans-66.3-36.9174.9-68.7-73-176110.77.2111.6Q246 T247 R253 Q254 H374 I378 E381Q246-R250 PolarHBondContact O-N 2.67Å; Q246-R250 VanDerWaalsContact O-N 3.12Å; T247-R250 PolarHBondContact O-N 2.78Å; T247-R250 VanDerWaalsContact O-N 3.15Å; R250-R253 PolarHBondContact O-N 2.78Å; R250-Q254 PolarHBondContact O-N 2.59Å; R250-Q254 VanDerWaalsContact O-N 3.12Å; R250-H374 HydrophobicContact CB-CB 3.93Å; R250-I378 HydrophobicContact CG-CD1 4.07Å; R250-I378 HydrophobicContact CG-CG1 4.38Å; R250-E381 IonicContact CZ-OE1 3.47Å; R250-E381 IonicContact CZ-OE2 2.7Å; R250-E381 IonicContact NH1-OE1 2.86Å; R250-E381 PolarHBondContact NH1-OE1 3.06Å; R250-E381 VanDerWaalsContact NH1-OE1 3.07Å; R250-E381 IonicContact NH1-OE2 3.47Å; R250-E381 IonicContact NH2-OE1 3.93Å; R250-E381 IonicContact NH2-OE2 3.45Å; R250-E381 PolarHBondContact NH2-OE2 3.22Å
251V96.6Very high91.2Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-63.7-47.2173.1176.50000110.5T247 D248 Q249 R253 Q254 L255 F311 L367 H370 R371 H374T247-V251 HydrophobicContact CG2-CG2 4.43Å; T247-V251 VanDerWaalsContact O-CG2 3.26Å; T247-V251 WeakPolarHBondContact O-CG2 3.39Å; T247-V251 PolarHBondContact O-N 3.23Å; D248-V251 PolarHBondContact O-N 2.76Å; Q249-V251 VanDerWaalsContact C-N 3.34Å; V251-R253 VanDerWaalsContact C-N 3.3Å; V251-R253 PolarHBondContact O-N 3.4Å; V251-Q254 WeakPolarHBondContact O-CB 3.43Å; V251-Q254 PolarHBondContact O-N 2.9Å; V251-Q254 VanDerWaalsContact O-N 3.11Å; V251-L255 HydrophobicContact CG1-CD1 4.03Å; V251-L255 HydrophobicContact CG1-CG 4.39Å; V251-L255 WeakPolarHBondContact O-CG 3.34Å; V251-L255 PolarHBondContact O-N 3.18Å; V251-F311 HydrophobicContact CB-CE1 3.89Å; V251-F311 HydrophobicContact CB-CZ 4.2Å; V251-F311 HydrophobicContact CG1-CD1 4.39Å; V251-F311 HydrophobicContact CG1-CE1 3.68Å; V251-F311 HydrophobicContact CG1-CZ 4.03Å; V251-L367 HydrophobicContact CG1-CD1 3.57Å; V251-H370 HydrophobicContact CB-CB 4.46Å; V251-H370 HydrophobicContact CG1-CB 3.84Å; V251-H370 HydrophobicContact CG2-CB 3.93Å; V251-R371 HydrophobicContact CG2-CG 3.97Å; V251-H374 HydrophobicContact CG2-CB 4.42Å
252L97.1Very high92.3Very high1 Ų133.2 Ų33.21%0.00517%0.165CC..Hα-helixtrans-57.9-45.2177.1176.465.9000110.4D248 Q249 Q254 L255 T256 L274 T278 F282 F311 T314 L315D248-L252 WeakPolarHBondContact O-CB 3.44Å; D248-L252 PolarHBondContact O-N 3.32Å; Q249-L252 PolarHBondContact O-N 3.38Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.07Å; L252-L255 CarbonylContact O-C 3.57Å; L252-L255 PolarHBondContact O-N 3.27Å; L252-T256 PolarHBondContact O-N 2.8Å; L252-T256 PolarHBondContact O-OG1 3.38Å; L252-T256 VanDerWaalsContact O-OG1 3.05Å; L252-L274 HydrophobicContact CD2-CD2 4.22Å; L252-L274 HydrophobicContact CG-CD2 4.47Å; L252-T278 HydrophobicContact CD2-CG2 4.13Å; L252-F282 HydrophobicContact CD1-CZ 4.46Å; L252-F282 HydrophobicContact CD2-CE2 3.97Å; L252-F282 HydrophobicContact CD2-CZ 4.12Å; L252-F311 HydrophobicContact CB-CD1 4.12Å; L252-F311 HydrophobicContact CB-CE1 3.98Å; L252-F311 HydrophobicContact CD1-CD1 4.2Å; L252-T314 HydrophobicContact CD1-CG2 3.8Å; L252-T314 HydrophobicContact CD2-CG2 3.78Å; L252-T314 HydrophobicContact CG-CG2 4.42Å; L252-L315 HydrophobicContact CD1-CD2 4.37Å; L252-L315 HydrophobicContact CD1-CG 4.47Å
253R93.8Very high93Very high69 Ų6931.2 Ų31.226%0.2616%0.155SC..Hα-helixtrans-55.3-45.6175.7-177.860.3178.6160.53.7111.9Q249 R250 V251 T256 V257 D264Q249-R253 PolarHBondContact O-N 3.31Å; R250-R253 PolarHBondContact O-N 2.78Å; V251-R253 VanDerWaalsContact C-N 3.3Å; V251-R253 PolarHBondContact O-N 3.4Å; R253-T256 PolarHBondContact O-N 3.34Å; R253-V257 WeakPolarHBondContact O-CG2 3.36Å; R253-V257 PolarHBondContact O-N 3.07Å; R253-D264 IonicContact CZ-OD1 3.83Å; R253-D264 IonicContact NE-OD1 3.15Å; R253-D264 IonicContact NH1-OD1 3.34Å; R253-D264 PolarHBondContact NH1-OD1 2.84Å; R253-D264 IonicContact NH2-OD1 2.58Å; R253-D264 PolarHBondContact NH2-OD1 3.19Å
254Q94.4Very high93.6Very high56 Ų5631.7 Ų31.726%0.26216%0.157SC..Hα-helixtrans-64-39.8176.2-178174.1-000112.3R250 V251 L252 T256 V257 Q258 H370 H374R250-Q254 PolarHBondContact O-N 2.59Å; R250-Q254 VanDerWaalsContact O-N 3.12Å; V251-Q254 WeakPolarHBondContact O-CB 3.43Å; V251-Q254 PolarHBondContact O-N 2.9Å; V251-Q254 VanDerWaalsContact O-N 3.11Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.07Å; Q254-T256 VanDerWaalsContact C-N 3.35Å; Q254-V257 WeakPolarHBondContact O-CB 3.47Å; Q254-V257 PolarHBondContact O-N 3.12Å; Q254-Q258 PolarHBondContact O-N 2.84Å; Q254-H370 VanDerWaalsContact CD-CE1 3.46Å; Q254-H370 VanDerWaalsContact CD-ND1 3.3Å; Q254-H370 PolarHBondContact NE2-CE1 3.42Å; Q254-H370 PolarHBondContact NE2-ND1 2.89Å; Q254-H370 PolarHBondContact OE1-ND1 3.22Å; Q254-H374 PolarHBondContact OE1-NE2 3.38Å
255L96.4Very high94Very high0 Ų038.6 Ų38.60%018%0.182CC..Hα-helixtrans-68-35.6176.9-64.8171.8000111.4V251 L252 V257 Q258 Y259 F311 L315 L362 L367V251-L255 HydrophobicContact CG1-CD1 4.03Å; V251-L255 HydrophobicContact CG1-CG 4.39Å; V251-L255 WeakPolarHBondContact O-CG 3.34Å; V251-L255 PolarHBondContact O-N 3.18Å; L252-L255 CarbonylContact O-C 3.57Å; L252-L255 PolarHBondContact O-N 3.27Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 3.38Å; L255-Q258 PolarHBondContact O-N 3.34Å; L255-Q258 VanDerWaalsContact O-N 3.08Å; L255-Y259 HydrophobicContact CB-CD2 4.21Å; L255-Y259 HydrophobicContact CD2-CD2 4.24Å; L255-Y259 HydrophobicContact CD2-CE2 3.8Å; L255-Y259 WeakPolarHBondContact O-CB 3.42Å; L255-Y259 VanDerWaalsContact O-CD2 3.32Å; L255-Y259 WeakPolarHBondContact O-CD2 3.38Å; L255-Y259 PolarHBondContact O-N 2.85Å; L255-F311 HydrophobicContact CD1-CB 4.14Å; L255-F311 HydrophobicContact CD1-CD1 3.6Å; L255-F311 HydrophobicContact CD1-CE1 4.29Å; L255-F311 HydrophobicContact CD1-CG 4.1Å; L255-L315 HydrophobicContact CB-CD1 4.12Å; L255-L315 HydrophobicContact CB-CD2 4.42Å; L255-L362 HydrophobicContact CD1-CD2 3.95Å; L255-L362 HydrophobicContact CD2-CD1 4.04Å; L255-L367 HydrophobicContact CD1-CD1 4.37Å
256T95.5Very high94.2Very high0 Ų039.2 Ų39.20%019%0.185CC..Hα-helixtrans-59.9-41.2173.2-55.80000111.2L252 R253 Q254 Q258 L260 L263 D264L252-T256 PolarHBondContact O-N 2.8Å; L252-T256 PolarHBondContact O-OG1 3.38Å; L252-T256 VanDerWaalsContact O-OG1 3.05Å; R253-T256 PolarHBondContact O-N 3.34Å; Q254-T256 VanDerWaalsContact C-N 3.35Å; T256-Q258 VanDerWaalsContact C-N 3.27Å; T256-Q258 PolarHBondContact O-N 2.72Å; T256-L260 HydrophobicContact CG2-CB 4.08Å; T256-L260 CarbonylContact O-C 3.49Å; T256-L260 VanDerWaalsContact O-CA 3.24Å; T256-L260 WeakPolarHBondContact O-CA 3.43Å; T256-L260 PolarHBondContact O-N 3.29Å; T256-L263 HydrophobicContact CG2-CD2 4.5Å; T256-D264 HydrophobicContact CG2-CB 4.37Å
257V95.7Very high94.2Very high71 Ų7136 Ų3643%0.4317%0.17SC..Hα-helixtrans-58.7-41.2173.7177.60000111.3R253 Q254 L255 D264R253-V257 WeakPolarHBondContact O-CG2 3.36Å; R253-V257 PolarHBondContact O-N 3.07Å; Q254-V257 WeakPolarHBondContact O-CB 3.47Å; Q254-V257 PolarHBondContact O-N 3.12Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 3.38Å; V257-D264 HydrophobicContact CG2-CB 4.47Å
258Q95.2Very high94Very high115 Ų11541 Ų4154%0.53719%0.193SC..Hα-helixtrans-76.3-43.2-176.1-178.4177.1-3.300113.2Q254 L255 T256Q254-Q258 PolarHBondContact O-N 2.84Å; L255-Q258 PolarHBondContact O-N 3.34Å; L255-Q258 VanDerWaalsContact O-N 3.08Å; T256-Q258 VanDerWaalsContact C-N 3.27Å; T256-Q258 PolarHBondContact O-N 2.72Å
259Y96.1Very high93.6Very high49 Ų4948 Ų4819%0.19223%0.226CC..Hα-helixtrans-100.6-25.7-169.9-71.6-86.1000113.2L255 L315 I358L255-Y259 HydrophobicContact CB-CD2 4.21Å; L255-Y259 HydrophobicContact CD2-CD2 4.24Å; L255-Y259 HydrophobicContact CD2-CE2 3.8Å; L255-Y259 WeakPolarHBondContact O-CB 3.42Å; L255-Y259 VanDerWaalsContact O-CD2 3.32Å; L255-Y259 WeakPolarHBondContact O-CD2 3.38Å; L255-Y259 PolarHBondContact O-N 2.85Å; Y259-L315 HydrophobicContact CD2-CD1 4.12Å; Y259-L315 HydrophobicContact CG-CD1 4.32Å; Y259-I358 HydrophobicContact CD1-CG1 3.93Å; Y259-I358 VanDerWaalsContact CD1-O 3.25Å; Y259-I358 WeakPolarHBondContact CD1-O 3.49Å; Y259-I358 WeakPolarHBondContact CE1-O 3.36Å; Y259-I358 HydrophobicContact CG-CG1 4.47Å
260L96.4Very high92.9Very high0 Ų049.9 Ų49.90%023%0.234CC..  trans-135.258.3-174.7-59174000111.6T256 A262 L263 D264 L315 L318 K319 I358T256-L260 HydrophobicContact CG2-CB 4.08Å; T256-L260 CarbonylContact O-C 3.49Å; T256-L260 VanDerWaalsContact O-CA 3.24Å; T256-L260 WeakPolarHBondContact O-CA 3.43Å; T256-L260 PolarHBondContact O-N 3.29Å; L260-A262 VanDerWaalsContact C-N 3.27Å; L260-A262 PolarHBondContact O-N 3.12Å; L260-L263 HydrophobicContact CB-CB 4.1Å; L260-L263 HydrophobicContact CD1-CD2 4.1Å; L260-L263 PolarHBondContact O-N 3.26Å; L260-D264 PolarHBondContact O-N 2.93Å; L260-L315 HydrophobicContact CD1-CD2 4.02Å; L260-L315 HydrophobicContact CG-CD2 4.5Å; L260-L318 HydrophobicContact CD1-CB 3.53Å; L260-L318 HydrophobicContact CD1-CD1 4.19Å; L260-K319 HydrophobicContact CD2-CB 3.91Å; L260-K319 HydrophobicContact CD2-CD 3.52Å; L260-K319 HydrophobicContact CD2-CG 4.21Å; L260-I358 HydrophobicContact CD2-CD1 3.55Å; L260-I358 HydrophobicContact CG-CD1 4.11Å
261P96.3Very high92.3Very high68 Ų6852.3 Ų52.344%0.44226%0.255SS..Hα-helixtrans-67.4-21.3-172.727.5-36.5000114.3R265P261-R265 WeakPolarHBondContact O-CG 3.44Å; P261-R265 PolarHBondContact O-N 3.25Å; P261-R265 PolarHBondContact O-NE 3.4Å
262A94.8Very high91.4Very high32 Ų3253.2 Ų53.226%0.26426%0.26SS..Hα-helixtrans-72.8-47.5173.600000110.5L260 D264 R265 L266 V326L260-A262 VanDerWaalsContact C-N 3.27Å; L260-A262 PolarHBondContact O-N 3.12Å; A262-D264 VanDerWaalsContact C-N 3.33Å; A262-D264 PolarHBondContact O-N 3.45Å; A262-R265 PolarHBondContact O-N 2.98Å; A262-L266 PolarHBondContact O-N 3.33Å; A262-L266 VanDerWaalsContact O-N 3.11Å; A262-V326 HydrophobicContact CB-CG2 4.44Å
263L94.3Very high90.6Very high0 Ų058.5 Ų58.50%028%0.284CS..Hα-helixtrans-60.6-40.9172.8-178.160.4000112.3T256 L260 R265 L266 L267 L318 E322 L325T256-L263 HydrophobicContact CG2-CD2 4.5Å; L260-L263 HydrophobicContact CB-CB 4.1Å; L260-L263 HydrophobicContact CD1-CD2 4.1Å; L260-L263 PolarHBondContact O-N 3.26Å; L263-R265 VanDerWaalsContact C-N 3.35Å; L263-R265 PolarHBondContact O-N 3.37Å; L263-L266 HydrophobicContact CD1-CD2 4.15Å; L263-L266 WeakPolarHBondContact O-CB 3.43Å; L263-L266 PolarHBondContact O-N 3.32Å; L263-L267 HydrophobicContact CD1-CD1 4.5Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 4.15Å; L263-L267 HydrophobicContact CG-CG 4.38Å; L263-L267 VanDerWaalsContact O-CG 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 2.94Å; L263-L318 HydrophobicContact CD2-CB 3.94Å; L263-L318 HydrophobicContact CD2-CD1 4.27Å; L263-L318 HydrophobicContact CD2-CD2 4.11Å; L263-L318 HydrophobicContact CD2-CG 4.33Å; L263-E322 HydrophobicContact CB-CG 4.37Å; L263-L325 HydrophobicContact CD1-CB 4.02Å; L263-L325 HydrophobicContact CD1-CD1 3.86Å; L263-L325 HydrophobicContact CD2-CD1 4.38Å
264D94.1Very high90.1Very high12 Ų1255.5 Ų55.56%0.06427%0.274CS..Hα-helixtrans-57.5-46.5176.617357.9000112.2R253 T256 V257 L260 A262 L267 Q268R253-D264 IonicContact CZ-OD1 3.83Å; R253-D264 IonicContact NE-OD1 3.15Å; R253-D264 IonicContact NH1-OD1 3.34Å; R253-D264 PolarHBondContact NH1-OD1 2.84Å; R253-D264 IonicContact NH2-OD1 2.58Å; R253-D264 PolarHBondContact NH2-OD1 3.19Å; T256-D264 HydrophobicContact CG2-CB 4.37Å; V257-D264 HydrophobicContact CG2-CB 4.47Å; L260-D264 PolarHBondContact O-N 2.93Å; A262-D264 VanDerWaalsContact C-N 3.33Å; A262-D264 PolarHBondContact O-N 3.45Å; D264-L267 PolarHBondContact O-N 3.21Å; D264-Q268 VanDerWaalsContact CG-NE2 3.33Å; D264-Q268 WeakPolarHBondContact O-CG 3.45Å; D264-Q268 PolarHBondContact O-N 3.43Å; D264-Q268 PolarHBondContact OD1-NE2 3.43Å; D264-Q268 VanDerWaalsContact OD1-NE2 3.14Å; D264-Q268 PolarHBondContact OD2-NE2 2.94Å
265R92.7Very high89.6Confident148 Ų14854 Ų5456%0.55827%0.269SS*.Hα-helixtrans-60.3-46.2176.5-76.1-177.2-71.4158.1-0.7111.9P261 A262 L263 L267 Q268 E269P261-R265 WeakPolarHBondContact O-CG 3.44Å; P261-R265 PolarHBondContact O-N 3.25Å; P261-R265 PolarHBondContact O-NE 3.4Å; A262-R265 PolarHBondContact O-N 2.98Å; L263-R265 VanDerWaalsContact C-N 3.35Å; L263-R265 PolarHBondContact O-N 3.37Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.2Å; R265-Q268 PolarHBondContact O-N 2.93Å; R265-Q268 VanDerWaalsContact O-N 3.14Å; R265-E269 WeakPolarHBondContact O-CB 3.48Å; R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.29Å
266L90.4Very high88.7Confident13 Ų1359.9 Ų59.97%0.06830%0.3CS..Hα-helixtrans-56.5-47.4175.7-17780000111.6A262 L263 Q268 E269 H270 L325 I334A262-L266 PolarHBondContact O-N 3.33Å; A262-L266 VanDerWaalsContact O-N 3.11Å; L263-L266 HydrophobicContact CD1-CD2 4.15Å; L263-L266 WeakPolarHBondContact O-CB 3.43Å; L263-L266 PolarHBondContact O-N 3.32Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 2.7Å; L266-E269 PolarHBondContact O-N 3.46Å; L266-H270 WeakPolarHBondContact O-CB 3.24Å; L266-H270 PolarHBondContact O-CD2 2.87Å; L266-H270 PolarHBondContact O-N 3.49Å; L266-L325 HydrophobicContact CD2-CB 4.23Å; L266-L325 WeakPolarHBondContact CD2-O 3.34Å; L266-I334 HydrophobicContact CD1-CD1 3.97Å; L266-I334 HydrophobicContact CD2-CD1 3.84Å; L266-I334 HydrophobicContact CD2-CG1 4.19Å; L266-I334 HydrophobicContact CD2-CG2 4.32Å; L266-I334 HydrophobicContact CG-CD1 3.86Å
267L85.5Confident88.1Confident2 Ų260.4 Ų60.41%0.0130%0.302CS..Hα-helixtrans-62.3-36.7178.6-67.5172.8000112.1L263 D264 R265 D271 I272 L274 I334 L338L263-L267 HydrophobicContact CD1-CD1 4.5Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 4.15Å; L263-L267 HydrophobicContact CG-CG 4.38Å; L263-L267 VanDerWaalsContact O-CG 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.37Å; L263-L267 PolarHBondContact O-N 2.94Å; D264-L267 PolarHBondContact O-N 3.21Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.2Å; L267-D271 PolarHBondContact O-N 3.07Å; L267-D271 VanDerWaalsContact O-N 3.14Å; L267-I272 HydrophobicContact CD2-CB 3.8Å; L267-I272 HydrophobicContact CD2-CG2 3.73Å; L267-I272 PolarHBondContact O-N 3.25Å; L267-L274 HydrophobicContact CD1-CB 4.35Å; L267-L274 HydrophobicContact CD1-CD2 4.48Å; L267-I334 HydrophobicContact CD2-CG2 4.42Å; L267-L338 HydrophobicContact CD2-CD1 3.94Å
268Q86.5Confident87.8Confident114 Ų11457 Ų5753%0.53328%0.282SS..Hα-helixtrans-70.7-43.8175.7-66.9179.425.300112.3D264 R265 L266 H270 D271D264-Q268 VanDerWaalsContact CG-NE2 3.33Å; D264-Q268 WeakPolarHBondContact O-CG 3.45Å; D264-Q268 PolarHBondContact O-N 3.43Å; D264-Q268 PolarHBondContact OD1-NE2 3.43Å; D264-Q268 VanDerWaalsContact OD1-NE2 3.14Å; D264-Q268 PolarHBondContact OD2-NE2 2.94Å; R265-Q268 PolarHBondContact O-N 2.93Å; R265-Q268 VanDerWaalsContact O-N 3.14Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 2.7Å; Q268-H270 PolarHBondContact O-N 3.28Å; Q268-D271 PolarHBondContact O-N 3.22Å
269E86.6Confident87.5Confident147 Ų14754 Ų5469%0.68727%0.27SS*.Hα-helixtrans-60.9-36.1178.9-74.8170.5-168.900112R265 L266R265-E269 WeakPolarHBondContact O-CB 3.48Å; R265-E269 WeakPolarHBondContact O-CG 3.43Å; R265-E269 PolarHBondContact O-N 3.29Å; L266-E269 PolarHBondContact O-N 3.46Å
270H80.6Confident87Confident50 Ų5055.7 Ų55.723%0.23128%0.279CS..THydrogen-bonded Turntrans-94.71.9-180-75.6-82.6000114.8L266 Q268 I272 S331 I334L266-H270 WeakPolarHBondContact O-CB 3.24Å; L266-H270 PolarHBondContact O-CD2 2.87Å; L266-H270 PolarHBondContact O-N 3.49Å; Q268-H270 PolarHBondContact O-N 3.28Å; H270-I272 VanDerWaalsContact C-N 3.31Å; H270-I272 HydrophobicContact CB-CD1 3.82Å; H270-I272 HydrophobicContact CB-CG1 3.91Å; H270-I272 PolarHBondContact O-N 3.09Å; H270-S331 WeakPolarHBondContact CB-OG 3.4Å; H270-S331 PolarHBondContact ND1-OG 3.28Å; H270-S331 PolarHBondContact O-OG 3.25Å; H270-I334 HydrophobicContact CB-CD1 4.26Å
271D79.3Confident86.8Confident151 Ų15156 Ų5681%0.80728%0.28SS*.THydrogen-bonded Turntrans51.744-176.1-162.535.2000113.6L267 Q268L267-D271 PolarHBondContact O-N 3.07Å; L267-D271 VanDerWaalsContact O-N 3.14Å; Q268-D271 PolarHBondContact O-N 3.22Å
272I78.1Confident86.8Confident19 Ų1952.8 Ų52.810%0.09726%0.259CS..  trans-97.3114.7-178.9-62174.4000110.1L267 H270 L274 I334L267-I272 HydrophobicContact CD2-CB 3.8Å; L267-I272 HydrophobicContact CD2-CG2 3.73Å; L267-I272 PolarHBondContact O-N 3.25Å; H270-I272 VanDerWaalsContact C-N 3.31Å; H270-I272 HydrophobicContact CB-CD1 3.82Å; H270-I272 HydrophobicContact CB-CG1 3.91Å; H270-I272 PolarHBondContact O-N 3.09Å; I272-L274 PolarHBondContact O-N 2.68Å; I272-I334 HydrophobicContact CD1-CB 3.65Å; I272-I334 HydrophobicContact CD1-CD1 4.18Å; I272-I334 HydrophobicContact CD1-CG2 3.48Å; I272-I334 VanDerWaalsContact CD1-CG2 3.48Å
273E80.3Confident86.6Confident112 Ų11251.7 Ų51.752%0.52325%0.249SC..  trans-81.5104.4172-164.9-176.3172.200111.2S275 L276E273-S275 WeakPolarHBondContact CG-OG 3.32Å; E273-S275 PolarHBondContact O-N 2.96Å; E273-S275 VanDerWaalsContact O-N 3.11Å; E273-S275 PolarHBondContact OE1-OG 2.75Å; E273-L276 HydrophobicContact CB-CD1 4.12Å; E273-L276 HydrophobicContact CB-CG 4.15Å; E273-L276 WeakPolarHBondContact O-CB 3.49Å; E273-L276 PolarHBondContact O-N 3.43Å; E273-L276 VanDerWaalsContact O-N 3.15Å
274L83.2Confident86.6Confident7 Ų751.7 Ų51.74%0.03725%0.249CC..THydrogen-bonded Turntrans-55.4-31.5-179.5-174.662.3000113.3L252 L267 I272 L276 I277 T278 L318 L338L252-L274 HydrophobicContact CD2-CD2 4.22Å; L252-L274 HydrophobicContact CG-CD2 4.47Å; L267-L274 HydrophobicContact CD1-CB 4.35Å; L267-L274 HydrophobicContact CD1-CD2 4.48Å; I272-L274 PolarHBondContact O-N 2.68Å; L274-L276 PolarHBondContact O-N 3.2Å; L274-I277 PolarHBondContact O-N 3.39Å; L274-T278 HydrophobicContact CD1-CG2 3.73Å; L274-T278 HydrophobicContact CD2-CG2 4.41Å; L274-T278 HydrophobicContact CG-CG2 3.77Å; L274-T278 PolarHBondContact O-N 3.07Å; L274-T278 PolarHBondContact O-OG1 3.13Å; L274-L318 HydrophobicContact CD2-CD1 4.16Å; L274-L338 HydrophobicContact CD1-CD1 4.32Å; L274-L338 HydrophobicContact CD1-CD2 4.48Å
275S83.6Confident86.7Confident24 Ų2451.1 Ų51.117%0.16825%0.246CC..Hα-helixtrans-59.5-30.1-178.479.80000112.7E273 I277 L279E273-S275 WeakPolarHBondContact CG-OG 3.32Å; E273-S275 PolarHBondContact O-N 2.96Å; E273-S275 VanDerWaalsContact O-N 3.11Å; E273-S275 PolarHBondContact OE1-OG 2.75Å; S275-I277 PolarHBondContact O-N 2.6Å; S275-L279 WeakPolarHBondContact O-CB 3.29Å; S275-L279 PolarHBondContact O-N 3.13Å
276L76.8Confident86.9Confident124 Ų12444.1 Ų44.165%0.64922%0.219SC*.Hα-helixtrans-62.5-24.3178.3-64.6176.5000112.5E273 L274E273-L276 HydrophobicContact CB-CD1 4.12Å; E273-L276 HydrophobicContact CB-CG 4.15Å; E273-L276 WeakPolarHBondContact O-CB 3.49Å; E273-L276 PolarHBondContact O-N 3.43Å; E273-L276 VanDerWaalsContact O-N 3.15Å; L274-L276 PolarHBondContact O-N 3.2Å
277I84.3Confident87.1Confident10 Ų1044 Ų445%0.05122%0.22CC..Hα-helixtrans-100.5-51.8179.4-61.5151000109.8L274 S275 L279 W281 F335 L338L274-I277 PolarHBondContact O-N 3.39Å; S275-I277 PolarHBondContact O-N 2.6Å; I277-L279 PolarHBondContact O-N 3.3Å; I277-W281 HydrophobicContact CG2-CH2 4.21Å; I277-W281 HydrophobicContact CG2-CZ2 3.45Å; I277-W281 VanDerWaalsContact CG2-CZ2 3.45Å; I277-W281 PolarHBondContact O-NE1 3.34Å; I277-F335 HydrophobicContact CD1-CD2 3.72Å; I277-F335 HydrophobicContact CD1-CE2 3.75Å; I277-F335 HydrophobicContact CD1-CG 4.37Å; I277-F335 HydrophobicContact CD1-CZ 4.41Å; I277-F335 HydrophobicContact CG1-CD2 4.14Å; I277-F335 HydrophobicContact CG1-CE2 3.64Å; I277-F335 HydrophobicContact CG1-CZ 3.93Å; I277-L338 HydrophobicContact CD1-CB 3.73Å; I277-L338 HydrophobicContact CD1-CD1 3.91Å; I277-L338 HydrophobicContact CD1-CG 4.48Å
278T90Very high87.3Confident1 Ų145.6 Ų45.61%0.00623%0.232CC..Hα-helixtrans-80.7-15.5-168.455.30000114.1Q249 L252 L274 H280 W281 F282 T314Q249-T278 PolarHBondContact OE1-OG1 3.5Å; L252-T278 HydrophobicContact CD2-CG2 4.13Å; L274-T278 HydrophobicContact CD1-CG2 3.73Å; L274-T278 HydrophobicContact CD2-CG2 4.41Å; L274-T278 HydrophobicContact CG-CG2 3.77Å; L274-T278 PolarHBondContact O-N 3.07Å; L274-T278 PolarHBondContact O-OG1 3.13Å; T278-H280 VanDerWaalsContact C-N 3.31Å; T278-H280 PolarHBondContact O-N 2.88Å; T278-W281 HydrophobicContact CG2-CD2 4.16Å; T278-W281 HydrophobicContact CG2-CE3 3.69Å; T278-W281 HydrophobicContact CG2-CH2 4.19Å; T278-W281 HydrophobicContact CG2-CZ3 3.72Å; T278-W281 WeakPolarHBondContact O-CB 3.33Å; T278-W281 PolarHBondContact O-N 3.43Å; T278-F282 WeakPolarHBondContact O-CD2 3.23Å; T278-F282 PolarHBondContact O-N 3.39Å; T278-T314 HydrophobicContact CG2-CG2 4.34Å
279L87.3Confident87.4Confident52 Ų5241.7 Ų41.727%0.27222%0.215SC..Hα-helixtrans-59.1-44.2177.5-177.2152.5000111.3V245 Q249 S275 I277 W281 F282 L283V245-L279 HydrophobicContact CG2-CG 4.35Å; Q249-L279 HydrophobicContact CG-CB 4.19Å; S275-L279 WeakPolarHBondContact O-CB 3.29Å; S275-L279 PolarHBondContact O-N 3.13Å; I277-L279 PolarHBondContact O-N 3.3Å; L279-W281 VanDerWaalsContact C-N 3.32Å; L279-W281 PolarHBondContact O-N 3.24Å; L279-F282 PolarHBondContact O-N 3.37Å; L279-L283 VanDerWaalsContact O-CB 3.32Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 PolarHBondContact O-N 3Å
280H85.4Confident87.7Confident83 Ų8335.4 Ų35.438%0.38419%0.187SC..Hα-helixtrans-68.2-33179.7-170.361.6000112.3T278 F282 L283 T284 S288T278-H280 VanDerWaalsContact C-N 3.31Å; T278-H280 PolarHBondContact O-N 2.88Å; H280-F282 VanDerWaalsContact C-N 3.34Å; H280-F282 PolarHBondContact O-N 3.48Å; H280-L283 PolarHBondContact O-N 3.37Å; H280-T284 VanDerWaalsContact CE1-CG2 3.45Å; H280-T284 WeakPolarHBondContact CE1-CG2 3.39Å; H280-T284 PolarHBondContact O-N 3.17Å; H280-T284 VanDerWaalsContact O-N 3.1Å; H280-T284 PolarHBondContact O-OG1 2.96Å; H280-T284 VanDerWaalsContact O-OG1 3.11Å; H280-S288 PolarHBondContact CD2-OG 3.45Å; H280-S288 VanDerWaalsContact NE2-CB 3.32Å; H280-S288 WeakPolarHBondContact NE2-CB 3.29Å; H280-S288 PolarHBondContact NE2-OG 3.49Å
281W93.6Very high88.2Confident7 Ų735.7 Ų35.73%0.02719%0.19CC..Hα-helixtrans-61.9-44.8177.4-56.71.1000110.9I277 T278 L279 S285 F286 V289 T314 M317 L338 L341 P342I277-W281 HydrophobicContact CG2-CH2 4.21Å; I277-W281 HydrophobicContact CG2-CZ2 3.45Å; I277-W281 VanDerWaalsContact CG2-CZ2 3.45Å; I277-W281 PolarHBondContact O-NE1 3.34Å; T278-W281 HydrophobicContact CG2-CD2 4.16Å; T278-W281 HydrophobicContact CG2-CE3 3.69Å; T278-W281 HydrophobicContact CG2-CH2 4.19Å; T278-W281 HydrophobicContact CG2-CZ3 3.72Å; T278-W281 WeakPolarHBondContact O-CB 3.33Å; T278-W281 PolarHBondContact O-N 3.43Å; L279-W281 VanDerWaalsContact C-N 3.32Å; L279-W281 PolarHBondContact O-N 3.24Å; W281-S285 PolarHBondContact O-N 3.12Å; W281-F286 HydrophobicContact CB-CD1 4.04Å; W281-F286 HydrophobicContact CB-CE1 3.82Å; W281-F286 HydrophobicContact CD2-CE1 4.43Å; W281-F286 HydrophobicContact CE3-CE1 4.07Å; W281-F286 HydrophobicContact CG-CE1 4.39Å; W281-F286 PolarHBondContact O-N 2.99Å; W281-V289 HydrophobicContact CB-CG2 4.33Å; W281-V289 HydrophobicContact CG-CG2 4.04Å; W281-T314 HydrophobicContact CE3-CG2 4.29Å; W281-T314 HydrophobicContact CZ3-CG2 4.16Å; W281-M317 HydrophobicContact CE3-CE 3.86Å; W281-M317 HydrophobicContact CZ3-CE 3.76Å; W281-L338 VanDerWaalsContact CZ2-O 3.24Å; W281-L338 WeakPolarHBondContact CZ2-O 3.45Å; W281-L341 HydrophobicContact CH2-CB 4.4Å; W281-P342 HydrophobicContact CD2-CG 4.04Å; W281-P342 VanDerWaalsContact CE2-CG 3.43Å; W281-P342 HydrophobicContact CE3-CG 4.45Å; W281-P342 HydrophobicContact CH2-CG 3.8Å; W281-P342 HydrophobicContact CZ2-CG 3.3Å; W281-P342 HydrophobicContact CZ3-CG 4.34Å
282F95.4Very high88.7Confident0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-71.7-44.2179-82.2-120000110.9Y237 V245 D248 L252 T278 L279 H280 T284 S285 L310 F311 T314Y237-F282 HydrophobicContact CE1-CB 4.49Å; Y237-F282 WeakPolarHBondContact OH-CB 3.44Å; Y237-F282 WeakPolarHBondContact OH-CD1 3.41Å; V245-F282 HydrophobicContact CG2-CB 3.87Å; D248-F282 HydrophobicContact CB-CD1 4.11Å; D248-F282 HydrophobicContact CB-CE1 4.34Å; L252-F282 HydrophobicContact CD1-CZ 4.46Å; L252-F282 HydrophobicContact CD2-CE2 3.97Å; L252-F282 HydrophobicContact CD2-CZ 4.12Å; T278-F282 WeakPolarHBondContact O-CD2 3.23Å; T278-F282 PolarHBondContact O-N 3.39Å; L279-F282 PolarHBondContact O-N 3.37Å; H280-F282 VanDerWaalsContact C-N 3.34Å; H280-F282 PolarHBondContact O-N 3.48Å; F282-T284 VanDerWaalsContact C-N 3.26Å; F282-T284 PolarHBondContact O-N 3.19Å; F282-S285 PolarHBondContact O-N 2.83Å; F282-L310 HydrophobicContact CD1-CB 4.06Å; F282-L310 HydrophobicContact CD1-CD1 4.11Å; F282-L310 HydrophobicContact CE1-CB 3.76Å; F282-L310 HydrophobicContact CZ-CB 4.12Å; F282-F311 HydrophobicContact CE1-CD1 4.06Å; F282-F311 HydrophobicContact CE1-CD2 4.15Å; F282-F311 AromaticContact CE1-CE1 3.87Å; F282-F311 HydrophobicContact CE1-CE1 3.87Å; F282-F311 AromaticContact CE1-CE2 3.91Å; F282-F311 HydrophobicContact CE1-CE2 3.91Å; F282-F311 HydrophobicContact CE1-CG 4.23Å; F282-F311 AromaticContact CE1-CZ 3.81Å; F282-F311 HydrophobicContact CE1-CZ 3.81Å; F282-F311 HydrophobicContact CZ-CD1 4.11Å; F282-F311 HydrophobicContact CZ-CE1 4.27Å; F282-F311 HydrophobicContact CZ-CG 4.36Å; F282-T314 HydrophobicContact CE2-CG2 4.32Å; F282-T314 WeakPolarHBondContact CE2-OG1 3.42Å
283L91.1Very high89.3Confident9 Ų930.5 Ų30.55%0.04716%0.159CC..Hα-helixtrans-58.5-37-178.8-171.964.1000112.5Q203 F238 L242 L279 H280Q203-L283 WeakPolarHBondContact O-CD2 3.39Å; F238-L283 HydrophobicContact CD1-CD1 3.97Å; F238-L283 HydrophobicContact CE1-CD1 4.24Å; F238-L283 VanDerWaalsContact CE1-O 3.3Å; F238-L283 WeakPolarHBondContact CE1-O 2.94Å; L242-L283 HydrophobicContact CD2-CD1 4.02Å; L279-L283 VanDerWaalsContact O-CB 3.32Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 PolarHBondContact O-N 3Å; H280-L283 PolarHBondContact O-N 3.37Å
284T94.1Very high89.9Confident0 Ų025.3 Ų25.30%014%0.135CC..THydrogen-bonded Turntrans-96.56.5176.766.80000113.5M207 V208 H280 F282 F286 A287 S288M207-T284 HydrophobicContact CB-CG2 4.29Å; V208-T284 WeakPolarHBondContact CG2-O 3.44Å; H280-T284 VanDerWaalsContact CE1-CG2 3.45Å; H280-T284 WeakPolarHBondContact CE1-CG2 3.39Å; H280-T284 PolarHBondContact O-N 3.17Å; H280-T284 VanDerWaalsContact O-N 3.1Å; H280-T284 PolarHBondContact O-OG1 2.96Å; H280-T284 VanDerWaalsContact O-OG1 3.11Å; F282-T284 VanDerWaalsContact C-N 3.26Å; F282-T284 PolarHBondContact O-N 3.19Å; T284-F286 PolarHBondContact O-N 3.36Å; T284-A287 WeakPolarHBondContact O-CB 3.38Å; T284-A287 PolarHBondContact O-N 3.4Å; T284-S288 WeakPolarHBondContact CB-OG 3.47Å; T284-S288 WeakPolarHBondContact CG2-OG 3.17Å; T284-S288 PolarHBondContact OG1-N 3.07Å; T284-S288 PolarHBondContact OG1-OG 3.03Å
285S96.3Very high90.5Very high1 Ų125 Ų251%0.00713%0.133CC..THydrogen-bonded Turntrans47.344.6-173.2-59.60000112W281 F282 A287 L295 W299W281-S285 PolarHBondContact O-N 3.12Å; F282-S285 PolarHBondContact O-N 2.83Å; S285-A287 VanDerWaalsContact C-N 3.25Å; S285-A287 PolarHBondContact O-N 2.93Å; S285-L295 WeakPolarHBondContact O-CD1 3.29Å; S285-W299 PolarHBondContact O-NE1 3.35Å
286F96.2Very high91.1Very high0 Ų023.9 Ų23.90%013%0.125CC..THydrogen-bonded Turntrans68.4-3.6-174.3-60-81.6000117.6W281 T284 S288 V289 V290 L295 I298 L310 I313 T314 M317W281-F286 HydrophobicContact CB-CD1 4.04Å; W281-F286 HydrophobicContact CB-CE1 3.82Å; W281-F286 HydrophobicContact CD2-CE1 4.43Å; W281-F286 HydrophobicContact CE3-CE1 4.07Å; W281-F286 HydrophobicContact CG-CE1 4.39Å; W281-F286 PolarHBondContact O-N 2.99Å; T284-F286 PolarHBondContact O-N 3.36Å; F286-S288 PolarHBondContact O-N 3.05Å; F286-V289 HydrophobicContact CB-CG2 4.28Å; F286-V289 HydrophobicContact CD1-CG2 3.89Å; F286-V289 PolarHBondContact O-N 3.29Å; F286-V290 HydrophobicContact CB-CG1 4.23Å; F286-V290 HydrophobicContact CB-CG2 3.89Å; F286-V290 HydrophobicContact CD1-CG1 4.2Å; F286-V290 PolarHBondContact O-N 3.13Å; F286-L295 HydrophobicContact CB-CD1 4Å; F286-I298 HydrophobicContact CB-CD1 4.23Å; F286-I298 HydrophobicContact CD2-CD1 4.24Å; F286-I298 HydrophobicContact CD2-CG2 3.97Å; F286-I298 HydrophobicContact CG-CD1 4.18Å; F286-L310 HydrophobicContact CD2-CD2 3.88Å; F286-L310 HydrophobicContact CE2-CB 4.37Å; F286-L310 HydrophobicContact CE2-CD2 3.64Å; F286-I313 HydrophobicContact CE1-CG2 4.41Å; F286-I313 HydrophobicContact CE2-CB 4.31Å; F286-I313 HydrophobicContact CE2-CG2 4.15Å; F286-I313 HydrophobicContact CZ-CB 4.31Å; F286-I313 HydrophobicContact CZ-CG2 3.96Å; F286-T314 WeakPolarHBondContact CZ-OG1 3.29Å; F286-M317 HydrophobicContact CD1-CE 4.1Å; F286-M317 HydrophobicContact CE1-CE 3.39Å; F286-M317 HydrophobicContact CZ-CE 4.13Å
287A94.3Very high91.9Very high10 Ų1020.1 Ų20.18%0.08310%0.102CC..THydrogen-bonded Turntrans-58.9-24.2-172.100000115M207 C211 T284 S285 L295 W299M207-A287 HydrophobicContact CG-CB 3.85Å; C211-A287 HydrophobicContact CB-CB 4.39Å; T284-A287 WeakPolarHBondContact O-CB 3.38Å; T284-A287 PolarHBondContact O-N 3.4Å; S285-A287 VanDerWaalsContact C-N 3.25Å; S285-A287 PolarHBondContact O-N 2.93Å; A287-L295 HydrophobicContact CB-CD1 4.32Å; A287-L295 HydrophobicContact CB-CD2 4.01Å; A287-W299 HydrophobicContact CB-CZ2 3.98Å
288S90.1Very high92.5Very high36 Ų3619.7 Ų19.725%0.25210%0.1SC..THydrogen-bonded Turntrans-94.2-10.8179.650.60000115.2H280 T284 F286H280-S288 PolarHBondContact CD2-OG 3.45Å; H280-S288 VanDerWaalsContact NE2-CB 3.32Å; H280-S288 WeakPolarHBondContact NE2-CB 3.29Å; H280-S288 PolarHBondContact NE2-OG 3.49Å; T284-S288 WeakPolarHBondContact CB-OG 3.47Å; T284-S288 WeakPolarHBondContact CG2-OG 3.17Å; T284-S288 PolarHBondContact OG1-N 3.07Å; T284-S288 PolarHBondContact OG1-OG 3.03Å; F286-S288 PolarHBondContact O-N 3.05Å
289V90.2Very high92.9Very high32 Ų3219.7 Ų19.719%0.19410%0.1CC..THydrogen-bonded Turntrans-124.4-28.6-164.3-61.70000115W281 F286 P342W281-V289 HydrophobicContact CB-CG2 4.33Å; W281-V289 HydrophobicContact CG-CG2 4.04Å; F286-V289 HydrophobicContact CB-CG2 4.28Å; F286-V289 HydrophobicContact CD1-CG2 3.89Å; F286-V289 PolarHBondContact O-N 3.29Å; V289-P342 HydrophobicContact CB-CB 3.88Å; V289-P342 HydrophobicContact CB-CG 4.11Å; V289-P342 HydrophobicContact CG2-CB 3.93Å; V289-P342 HydrophobicContact CG2-CG 4.15Å; V289-P342 WeakPolarHBondContact O-CB 3.41Å
290V92.2Very high93.4Very high15 Ų1517.2 Ų17.29%0.0919%0.087CC..SBendtrans-100.8159.3177.3-60.20000111.7F286 L294 L295 I298 P342F286-V290 HydrophobicContact CB-CG1 4.23Å; F286-V290 HydrophobicContact CB-CG2 3.89Å; F286-V290 HydrophobicContact CD1-CG1 4.2Å; F286-V290 PolarHBondContact O-N 3.13Å; V290-L294 HydrophobicContact CB-CB 4.43Å; V290-L294 HydrophobicContact CB-CD2 3.99Å; V290-L294 HydrophobicContact CB-CG 4.18Å; V290-L294 HydrophobicContact CG1-CD2 3.92Å; V290-L294 HydrophobicContact CG1-CG 4.42Å; V290-L294 HydrophobicContact CG2-CG 4.34Å; V290-L295 HydrophobicContact CG2-CB 3.81Å; V290-L295 HydrophobicContact CG2-CD1 4.02Å; V290-I298 HydrophobicContact CG1-CD1 4.42Å; V290-I298 HydrophobicContact CG2-CD1 4.19Å; V290-P342 HydrophobicContact CG1-CB 3.81Å
291D90Very high93.9Very high56 Ų5613.2 Ų13.230%0.2997%0.069SC..  trans-57.1145.8167.8176.3-102.2000111.7R293 L294 L295D291-R293 PolarHBondContact O-N 2.88Å; D291-R293 WeakPolarHBondContact OD1-CB 3.31Å; D291-R293 WeakPolarHBondContact OD1-CG 3.27Å; D291-R293 PolarHBondContact OD1-N 3.26Å; D291-L294 PolarHBondContact O-N 3.18Å; D291-L294 VanDerWaalsContact O-N 3.11Å; D291-L295 PolarHBondContact O-N 3.04Å
292I91.3Very high94.1Very high10 Ų1013 Ų135%0.0517%0.068CC..Hα-helixtrans-59.3-33.8-175.5-164.771.6000112.1F45 F47 F215 L295 L296F45-I292 HydrophobicContact CB-CG2 4.22Å; F45-I292 HydrophobicContact CD1-CG1 4.2Å; F45-I292 HydrophobicContact CD1-CG2 4.24Å; F45-I292 HydrophobicContact CD2-CG2 3.3Å; F45-I292 HydrophobicContact CE1-CG2 4.48Å; F45-I292 HydrophobicContact CE2-CG2 3.59Å; F45-I292 HydrophobicContact CG-CG1 4.23Å; F45-I292 HydrophobicContact CG-CG2 3.66Å; F45-I292 HydrophobicContact CZ-CG2 4.18Å; F47-I292 HydrophobicContact CE2-CB 4.09Å; F47-I292 HydrophobicContact CE2-CD1 4.26Å; F47-I292 HydrophobicContact CE2-CG1 4.15Å; F47-I292 HydrophobicContact CE2-CG2 4.33Å; F47-I292 HydrophobicContact CZ-CD1 4.39Å; F215-I292 HydrophobicContact CE2-CD1 4.01Å; F215-I292 HydrophobicContact CE2-CG1 4.29Å; F215-I292 HydrophobicContact CZ-CD1 4.08Å; F215-I292 HydrophobicContact CZ-CG1 3.88Å; I292-L295 HydrophobicContact CD1-CD2 3.93Å; I292-L295 WeakPolarHBondContact O-CB 3.33Å; I292-L295 PolarHBondContact O-N 3.02Å; I292-L296 VanDerWaalsContact O-CG 3.24Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 2.82Å
293R90.1Very high94.2Very high52 Ų5213 Ų1320%0.1967%0.068CC..Hα-helixtrans-68.7-40.5179.3-58.7177.6173.6-174.9-0.4111E44 F45 D291 R297E44-R293 IonicContact OE1-CZ 3.66Å; E44-R293 IonicContact OE1-NE 2.71Å; E44-R293 PolarHBondContact OE1-NE 3.44Å; E44-R293 IonicContact OE1-NH2 3.63Å; E44-R293 PolarHBondContact OE1-NH2 3.22Å; E44-R293 IonicContact OE2-NH2 2.61Å; F45-R293 HydrophobicContact CE2-CG 3.9Å; F45-R293 HydrophobicContact CZ-CG 4.26Å; D291-R293 PolarHBondContact O-N 2.88Å; D291-R293 WeakPolarHBondContact OD1-CB 3.31Å; D291-R293 WeakPolarHBondContact OD1-CG 3.27Å; D291-R293 PolarHBondContact OD1-N 3.26Å; R293-R297 WeakPolarHBondContact O-CG 3.31Å; R293-R297 PolarHBondContact O-N 3.46Å
294L93.3Very high94.4Very high2 Ų213.5 Ų13.51%0.017%0.069CC..Hα-helixtrans-67.4-42.1172.2173.755.1000110.9V290 D291 L296 R297 I298 L345 V351 L352V290-L294 HydrophobicContact CB-CB 4.43Å; V290-L294 HydrophobicContact CB-CD2 3.99Å; V290-L294 HydrophobicContact CB-CG 4.18Å; V290-L294 HydrophobicContact CG1-CD2 3.92Å; V290-L294 HydrophobicContact CG1-CG 4.42Å; V290-L294 HydrophobicContact CG2-CG 4.34Å; D291-L294 PolarHBondContact O-N 3.18Å; D291-L294 VanDerWaalsContact O-N 3.11Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 PolarHBondContact O-N 3.29Å; L294-R297 WeakPolarHBondContact O-CB 3.39Å; L294-R297 PolarHBondContact O-N 3.47Å; L294-I298 HydrophobicContact CD1-CD1 3.96Å; L294-I298 HydrophobicContact CD1-CG1 4Å; L294-I298 HydrophobicContact CG-CD1 3.83Å; L294-I298 HydrophobicContact CG-CG1 4.35Å; L294-I298 WeakPolarHBondContact O-CG1 3.34Å; L294-I298 PolarHBondContact O-N 3.25Å; L294-L345 WeakPolarHBondContact CD2-O 3.03Å; L294-V351 HydrophobicContact CD1-CB 4.43Å; L294-V351 HydrophobicContact CD1-CG1 4.44Å; L294-V351 HydrophobicContact CD2-CG2 4.49Å; L294-L352 HydrophobicContact CD1-CD1 3.8Å
295L95.6Very high94.4Very high1 Ų115.5 Ų15.51%0.0058%0.078CC..Hα-helixtrans-54.5-47.7177.1-173.965.6000111.7C211 S285 F286 A287 V290 D291 I292 R297 I298 W299C211-L295 HydrophobicContact CB-CD2 4.21Å; S285-L295 WeakPolarHBondContact O-CD1 3.29Å; F286-L295 HydrophobicContact CB-CD1 4Å; A287-L295 HydrophobicContact CB-CD1 4.32Å; A287-L295 HydrophobicContact CB-CD2 4.01Å; V290-L295 HydrophobicContact CG2-CB 3.81Å; V290-L295 HydrophobicContact CG2-CD1 4.02Å; D291-L295 PolarHBondContact O-N 3.04Å; I292-L295 HydrophobicContact CD1-CD2 3.93Å; I292-L295 WeakPolarHBondContact O-CB 3.33Å; I292-L295 PolarHBondContact O-N 3.02Å; L295-R297 PolarHBondContact O-N 3.28Å; L295-I298 PolarHBondContact O-N 3.08Å; L295-I298 VanDerWaalsContact O-N 3.13Å; L295-W299 HydrophobicContact CD1-CD2 4.38Å; L295-W299 HydrophobicContact CD1-CG 4.45Å; L295-W299 HydrophobicContact CD1-CZ2 4.24Å; L295-W299 HydrophobicContact CD2-CH2 4.31Å; L295-W299 HydrophobicContact CD2-CZ2 4.06Å; L295-W299 HydrophobicContact CG-CD2 4.15Å; L295-W299 HydrophobicContact CG-CG 4.4Å; L295-W299 HydrophobicContact CG-CZ2 4.32Å; L295-W299 WeakPolarHBondContact O-CB 3.15Å; L295-W299 PolarHBondContact O-N 3.22Å
296L95Very high94.3Very high1 Ų115.8 Ų15.81%0.0058%0.082CC..Hα-helixtrans-57.1-38.5178.4-69.9176.3000111.8F45 W125 F215 I292 L294 W299 D300F45-L296 HydrophobicContact CE1-CD1 3.9Å; F45-L296 HydrophobicContact CZ-CD1 4.16Å; W125-L296 HydrophobicContact CH2-CD2 3.41Å; W125-L296 VanDerWaalsContact CH2-CD2 3.41Å; W125-L296 HydrophobicContact CZ2-CD2 3.79Å; F215-L296 HydrophobicContact CD2-CD2 3.86Å; F215-L296 HydrophobicContact CE1-CD1 4.47Å; F215-L296 HydrophobicContact CE1-CD2 4.37Å; F215-L296 HydrophobicContact CE2-CD2 3.57Å; F215-L296 HydrophobicContact CE2-CG 4.46Å; F215-L296 HydrophobicContact CG-CD2 4.37Å; F215-L296 HydrophobicContact CZ-CD1 4.23Å; F215-L296 HydrophobicContact CZ-CD2 3.85Å; F215-L296 HydrophobicContact CZ-CG 4.39Å; I292-L296 VanDerWaalsContact O-CG 3.24Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 2.82Å; L294-L296 VanDerWaalsContact C-N 3.31Å; L294-L296 PolarHBondContact O-N 3.29Å; L296-W299 PolarHBondContact O-N 3.47Å; L296-D300 PolarHBondContact O-N 2.9Å
297R94.9Very high94.2Very high45 Ų4515.8 Ų15.817%0.178%0.082CC..Hα-helixtrans-71.2-38.7177.1-64.1-50.5-50.7-119-9.1112.8L113 G114 G115 R293 L294 L295 W299 D300 L301 L352L113-R297 PolarHBondContact O-NH2 3.08Å; G114-R297 PolarHBondContact O-NH1 2.7Å; G114-R297 PolarHBondContact O-NH2 3.24Å; G114-R297 VanDerWaalsContact O-NH2 3.15Å; G115-R297 VanDerWaalsContact N-NH2 3.16Å; R293-R297 WeakPolarHBondContact O-CG 3.31Å; R293-R297 PolarHBondContact O-N 3.46Å; L294-R297 WeakPolarHBondContact O-CB 3.39Å; L294-R297 PolarHBondContact O-N 3.47Å; L295-R297 PolarHBondContact O-N 3.28Å; R297-W299 VanDerWaalsContact C-N 3.33Å; R297-D300 IonicContact NE-OD2 2.68Å; R297-L301 PolarHBondContact O-N 3.42Å; R297-L352 HydrophobicContact CB-CD1 4.21Å; R297-L352 HydrophobicContact CB-CD2 4.02Å
298I96.9Very high94.3Very high0 Ų015.6 Ų15.60%08%0.08CC..Hα-helixtrans-63.7-43.1173.9-65.7168.1000109.7F286 V290 L294 L295 L301 L302 V309 I313F286-I298 HydrophobicContact CB-CD1 4.23Å; F286-I298 HydrophobicContact CD2-CD1 4.24Å; F286-I298 HydrophobicContact CD2-CG2 3.97Å; F286-I298 HydrophobicContact CG-CD1 4.18Å; V290-I298 HydrophobicContact CG1-CD1 4.42Å; V290-I298 HydrophobicContact CG2-CD1 4.19Å; L294-I298 HydrophobicContact CD1-CD1 3.96Å; L294-I298 HydrophobicContact CD1-CG1 4Å; L294-I298 HydrophobicContact CG-CD1 3.83Å; L294-I298 HydrophobicContact CG-CG1 4.35Å; L294-I298 WeakPolarHBondContact O-CG1 3.34Å; L294-I298 PolarHBondContact O-N 3.25Å; L295-I298 PolarHBondContact O-N 3.08Å; L295-I298 VanDerWaalsContact O-N 3.13Å; I298-L301 PolarHBondContact O-N 2.84Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 PolarHBondContact O-N 3.07Å; I298-V309 HydrophobicContact CG2-CG1 4.28Å; I298-I313 HydrophobicContact CD1-CG2 3.89Å; I298-I313 HydrophobicContact CG1-CD1 4.2Å; I298-I313 HydrophobicContact CG1-CG1 4.17Å; I298-I313 HydrophobicContact CG1-CG2 4.25Å; I298-I313 HydrophobicContact CG2-CG1 4.44Å
299W97.9Very high94.7Very high1 Ų113.9 Ų13.90%0.0047%0.068CC..Hα-helixtrans-70.4-36.5-179.2-78.213.4000113.5W125 V208 C211 L212 S285 A287 L295 L296 R297 L301 L302 F303W125-W299 HydrophobicContact CH2-CB 4.33Å; W125-W299 AromaticContact CH2-CE3 3.63Å; W125-W299 HydrophobicContact CH2-CE3 3.63Å; W125-W299 HydrophobicContact CH2-CZ3 4.38Å; W125-W299 HydrophobicContact CZ2-CB 3.92Å; W125-W299 HydrophobicContact CZ2-CE3 4.37Å; W125-W299 AromaticContact CZ3-CE3 3.86Å; W125-W299 HydrophobicContact CZ3-CE3 3.86Å; W125-W299 HydrophobicContact CZ3-CZ3 4.32Å; V208-W299 HydrophobicContact CG1-CH2 4.21Å; V208-W299 HydrophobicContact CG1-CZ2 4.06Å; C211-W299 HydrophobicContact CB-CH2 3.55Å; C211-W299 HydrophobicContact CB-CZ2 4.38Å; C211-W299 HydrophobicContact CB-CZ3 4.11Å; L212-W299 HydrophobicContact CD2-CE3 4.03Å; L212-W299 HydrophobicContact CD2-CH2 4.05Å; L212-W299 HydrophobicContact CD2-CZ3 3.45Å; L212-W299 VanDerWaalsContact CD2-CZ3 3.45Å; L212-W299 HydrophobicContact CG-CH2 3.83Å; L212-W299 HydrophobicContact CG-CZ3 3.7Å; S285-W299 PolarHBondContact O-NE1 3.35Å; A287-W299 HydrophobicContact CB-CZ2 3.98Å; L295-W299 HydrophobicContact CD1-CD2 4.38Å; L295-W299 HydrophobicContact CD1-CG 4.45Å; L295-W299 HydrophobicContact CD1-CZ2 4.24Å; L295-W299 HydrophobicContact CD2-CH2 4.31Å; L295-W299 HydrophobicContact CD2-CZ2 4.06Å; L295-W299 HydrophobicContact CG-CD2 4.15Å; L295-W299 HydrophobicContact CG-CG 4.4Å; L295-W299 HydrophobicContact CG-CZ2 4.32Å; L295-W299 WeakPolarHBondContact O-CB 3.15Å; L295-W299 PolarHBondContact O-N 3.22Å; L296-W299 PolarHBondContact O-N 3.47Å; R297-W299 VanDerWaalsContact C-N 3.33Å; W299-L301 PolarHBondContact O-N 2.7Å; W299-L302 PolarHBondContact O-N 3.23Å; W299-F303 HydrophobicContact CB-CD2 4.19Å; W299-F303 HydrophobicContact CB-CE2 3.72Å; W299-F303 HydrophobicContact CB-CZ 4.25Å; W299-F303 HydrophobicContact CD2-CE2 4.24Å; W299-F303 HydrophobicContact CD2-CZ 4.09Å; W299-F303 HydrophobicContact CE3-CE2 4.09Å; W299-F303 HydrophobicContact CE3-CZ 4.09Å; W299-F303 HydrophobicContact CG-CE2 4.14Å; W299-F303 HydrophobicContact CG-CZ 4.2Å; W299-F303 WeakPolarHBondContact O-CB 3.42Å; W299-F303 WeakPolarHBondContact O-CD2 3.33Å; W299-F303 WeakPolarHBondContact O-CG 3.42Å; W299-F303 PolarHBondContact O-N 3.15Å
300D97.3Very high95Very high0 Ų012.4 Ų12.40%06%0.058CC..Hα-helixtrans-51.3-43.7169.5-69.1-16.6000110.5V112 I116 R121 W125 L296 R297V112-D300 HydrophobicContact CG1-CB 4.33Å; V112-D300 WeakPolarHBondContact CG1-O 3.38Å; I116-D300 HydrophobicContact CD1-CB 3.93Å; I116-D300 HydrophobicContact CG1-CB 4.01Å; I116-D300 PolarHBondContact N-OD2 2.99Å; I116-D300 VanDerWaalsContact N-OD2 3.14Å; R121-D300 IonicContact CZ-OD1 3.29Å; R121-D300 IonicContact CZ-OD2 2.63Å; R121-D300 IonicContact NE-OD1 3.71Å; R121-D300 PolarHBondContact NE-OD1 3.49Å; R121-D300 IonicContact NE-OD2 2.78Å; R121-D300 IonicContact NH2-OD1 3.6Å; R121-D300 IonicContact NH2-OD2 3.17Å; R121-D300 PolarHBondContact NH2-OD2 2.79Å; R121-D300 VanDerWaalsContact NH2-OD2 3.08Å; W125-D300 PolarHBondContact NE1-OD1 3.4Å; L296-D300 PolarHBondContact O-N 2.9Å; R297-D300 IonicContact NE-OD2 2.68Å
301L96.8Very high95.3Very high0 Ų011.7 Ų11.70%05%0.054CC..Hα-helixtrans-77.7-43178.1-66.8171.8000113.1V112 L113 R297 I298 W299 F303 Y304 Q305 V309 L352 M356V112-L301 HydrophobicContact CG1-CD2 3.9Å; L113-L301 HydrophobicContact CD2-CD2 3.69Å; L113-L301 HydrophobicContact CG-CD2 4.21Å; R297-L301 PolarHBondContact O-N 3.42Å; I298-L301 PolarHBondContact O-N 2.84Å; W299-L301 PolarHBondContact O-N 2.7Å; L301-F303 VanDerWaalsContact C-N 3.33Å; L301-F303 PolarHBondContact O-N 3.31Å; L301-Y304 PolarHBondContact O-N 3.44Å; L301-Y304 VanDerWaalsContact O-N 3.08Å; L301-Q305 PolarHBondContact O-N 3.23Å; L301-V309 HydrophobicContact CB-CG1 3.83Å; L301-V309 HydrophobicContact CB-CG2 3.85Å; L301-L352 HydrophobicContact CD1-CD2 3.63Å; L301-L352 HydrophobicContact CD1-CG 3.99Å; L301-M356 HydrophobicContact CD1-CE 4.12Å
302L97.5Very high95.7Very high1 Ų19.2 Ų9.21%0.0054%0.041CC..Hα-helixtrans-58.4-45.2-179.6175.963.4000111.1L228 I298 W299 Y304 G306 L310L228-L302 HydrophobicContact CD2-CD2 4.15Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 PolarHBondContact O-N 3.07Å; W299-L302 PolarHBondContact O-N 3.23Å; L302-Y304 PolarHBondContact O-N 3.41Å; L302-G306 WeakPolarHBondContact O-CA 3.43Å; L302-G306 PolarHBondContact O-N 3.45Å; L302-L310 HydrophobicContact CD1-CD2 4.34Å; L302-L310 HydrophobicContact CD1-CG 4.35Å
303F97.4Very high96Very high1 Ų18.7 Ų8.70%0.0044%0.038CC..Hα-helixtrans-71.8-18.3179.1-59.6-40.2000112.9W125 L128 S129 L212 M224 L228 L232 W299 L301W125-F303 HydrophobicContact CB-CD2 3.85Å; W125-F303 HydrophobicContact CB-CE2 4.24Å; W125-F303 AromaticContact CD1-CD2 3.71Å; W125-F303 AromaticContact CD2-CD2 3.74Å; W125-F303 HydrophobicContact CD2-CD2 3.74Å; W125-F303 AromaticContact CD2-CE2 3.6Å; W125-F303 HydrophobicContact CD2-CE2 3.6Å; W125-F303 AromaticContact CE2-CD2 3.99Å; W125-F303 AromaticContact CE2-CE2 3.94Å; W125-F303 HydrophobicContact CE3-CD2 4.37Å; W125-F303 AromaticContact CE3-CE2 3.79Å; W125-F303 HydrophobicContact CE3-CE2 3.79Å; W125-F303 AromaticContact CG-CD2 3.52Å; W125-F303 HydrophobicContact CG-CD2 3.52Å; W125-F303 AromaticContact CG-CE2 3.87Å; W125-F303 HydrophobicContact CG-CE2 3.87Å; W125-F303 HydrophobicContact CZ2-CE2 4.36Å; W125-F303 HydrophobicContact CZ3-CE2 4.26Å; W125-F303 AromaticContact NE1-CD2 3.99Å; L128-F303 CarbonylContact C-O 3.56Å; L128-F303 HydrophobicContact CB-CB 4.32Å; L128-F303 WeakPolarHBondContact CB-O 3.25Å; S129-F303 PolarHBondContact N-O 3.15Å; L212-F303 HydrophobicContact CD2-CZ 4.15Å; M224-F303 HydrophobicContact CE-CD1 3.55Å; M224-F303 HydrophobicContact CE-CD2 3.82Å; M224-F303 HydrophobicContact CE-CE1 3.33Å; M224-F303 HydrophobicContact CE-CE2 3.6Å; M224-F303 HydrophobicContact CE-CG 3.81Å; M224-F303 HydrophobicContact CE-CZ 3.37Å; L228-F303 HydrophobicContact CD1-CE1 4.35Å; L228-F303 HydrophobicContact CD2-CE1 4.11Å; L228-F303 HydrophobicContact CG-CE1 4.24Å; L232-F303 HydrophobicContact CD1-CD1 3.73Å; L232-F303 HydrophobicContact CD1-CE1 4.24Å; W299-F303 HydrophobicContact CB-CD2 4.19Å; W299-F303 HydrophobicContact CB-CE2 3.72Å; W299-F303 HydrophobicContact CB-CZ 4.25Å; W299-F303 HydrophobicContact CD2-CE2 4.24Å; W299-F303 HydrophobicContact CD2-CZ 4.09Å; W299-F303 HydrophobicContact CE3-CE2 4.09Å; W299-F303 HydrophobicContact CE3-CZ 4.09Å; W299-F303 HydrophobicContact CG-CE2 4.14Å; W299-F303 HydrophobicContact CG-CZ 4.2Å; W299-F303 WeakPolarHBondContact O-CB 3.42Å; W299-F303 WeakPolarHBondContact O-CD2 3.33Å; W299-F303 WeakPolarHBondContact O-CG 3.42Å; W299-F303 PolarHBondContact O-N 3.15Å; L301-F303 VanDerWaalsContact C-N 3.33Å; L301-F303 PolarHBondContact O-N 3.31Å
304Y95.8Very high96.3Very high19 Ų196.2 Ų6.28%0.0753%0.029CC..Hα-helixtrans-92.5-45.8176.3177.9-115.9000113.6Q104 S105 L108 R109 V112 L128 L301 L302Q104-Y304 HydrophobicContact CG-CE2 4.07Å; Q104-Y304 PolarHBondContact NE2-O 3.41Å; S105-Y304 PolarHBondContact O-OH 3.04Å; L108-Y304 HydrophobicContact CD2-CD2 4.35Å; L108-Y304 HydrophobicContact CD2-CE2 3.73Å; L108-Y304 HydrophobicContact CG-CD2 4.45Å; L108-Y304 HydrophobicContact CG-CE2 3.84Å; R109-Y304 HydrophobicContact CB-CE1 3.69Å; R109-Y304 HydrophobicContact CG-CE1 3.87Å; R109-Y304 PolarHBondContact N-OH 3.45Å; V112-Y304 HydrophobicContact CB-CD1 4.27Å; V112-Y304 HydrophobicContact CB-CG 4.41Å; V112-Y304 HydrophobicContact CG1-CD1 4.25Å; V112-Y304 HydrophobicContact CG1-CG 4.25Å; V112-Y304 HydrophobicContact CG2-CD1 4.32Å; V112-Y304 HydrophobicContact CG2-CD2 4.36Å; V112-Y304 HydrophobicContact CG2-CG 4.05Å; L128-Y304 HydrophobicContact CD2-CD2 3.8Å; L301-Y304 PolarHBondContact O-N 3.44Å; L301-Y304 VanDerWaalsContact O-N 3.08Å; L302-Y304 PolarHBondContact O-N 3.41Å
305Q92.8Very high96.6Very high42 Ų426.1 Ų6.120%0.1963%0.029CC..Hα-helixtrans-105-12.3-171.8-54.3-175.20.500113.5L301 V308 V309 Q364L301-Q305 PolarHBondContact O-N 3.23Å; Q305-V308 HydrophobicContact CB-CG1 4.23Å; Q305-V309 HydrophobicContact CB-CG2 3.87Å; Q305-Q364 PolarHBondContact O-NE2 3.13Å
306G94.1Very high96.7Very high7 Ų76.1 Ų6.17%0.0723%0.028CC..  trans79.3-165.1-176.500000113.8L302 V308 V309L302-G306 WeakPolarHBondContact O-CA 3.43Å; L302-G306 PolarHBondContact O-N 3.45Å; G306-V308 PolarHBondContact O-N 3.41Å; G306-V309 WeakPolarHBondContact O-CG2 3.47Å; G306-V309 PolarHBondContact O-N 3.11Å
307S95.5Very high96.7Very high1 Ų16 Ų61%0.0073%0.028CC..THydrogen-bonded Turntrans-63.8-9.5-168.448.80000116.7L232 V309 L310 R371L232-S307 WeakPolarHBondContact O-CB 3.42Å; L232-S307 PolarHBondContact O-OG 3.25Å; S307-V309 PolarHBondContact O-N 2.92Å; S307-L310 WeakPolarHBondContact O-CB 3.32Å; S307-L310 PolarHBondContact O-N 3.27Å; S307-L310 VanDerWaalsContact O-N 3.11Å; S307-R371 PolarHBondContact OG-NH1 2.64Å; S307-R371 PolarHBondContact OG-NH2 3.23Å
308V96.2Very high96.8Very high6 Ų63.9 Ų3.94%0.0362%0.02CC..Hα-helixtrans-58.4-31.3173.268.40000112.3Q305 G306 L310 F311 Q312 L362 Q364 L367Q305-V308 HydrophobicContact CB-CG1 4.23Å; G306-V308 PolarHBondContact O-N 3.41Å; V308-L310 PolarHBondContact O-N 3.29Å; V308-F311 PolarHBondContact O-N 3.27Å; V308-F311 VanDerWaalsContact O-N 3.13Å; V308-Q312 HydrophobicContact CG2-CG 4.42Å; V308-Q312 PolarHBondContact O-N 3.07Å; V308-Q312 VanDerWaalsContact O-N 3.11Å; V308-L362 HydrophobicContact CG2-CB 4.24Å; V308-L362 HydrophobicContact CG2-CD2 3.84Å; V308-L362 HydrophobicContact CG2-CG 3.78Å; V308-L362 WeakPolarHBondContact CG2-O 3.42Å; V308-Q364 HydrophobicContact CB-CG 4.44Å; V308-Q364 HydrophobicContact CG1-CG 4.45Å; V308-L367 HydrophobicContact CB-CD2 4.1Å; V308-L367 HydrophobicContact CG2-CD2 4.31Å
309V97Very high96.8Very high0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-59.3-34178.3175.90000111.4I298 L301 Q305 G306 S307 F311 Q312 I313I298-V309 HydrophobicContact CG2-CG1 4.28Å; L301-V309 HydrophobicContact CB-CG1 3.83Å; L301-V309 HydrophobicContact CB-CG2 3.85Å; Q305-V309 HydrophobicContact CB-CG2 3.87Å; G306-V309 WeakPolarHBondContact O-CG2 3.47Å; G306-V309 PolarHBondContact O-N 3.11Å; S307-V309 PolarHBondContact O-N 2.92Å; V309-F311 VanDerWaalsContact C-N 3.29Å; V309-F311 PolarHBondContact O-N 3.5Å; V309-Q312 PolarHBondContact O-N 2.68Å; V309-I313 HydrophobicContact CG1-CG1 3.85Å; V309-I313 WeakPolarHBondContact O-CB 3.32Å; V309-I313 VanDerWaalsContact O-CG1 3.24Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.49Å
310L97.8Very high96.8Very high0 Ų010.3 Ų10.30%05%0.05CC..Hα-helixtrans-60.2-43.4179.2-58.1-179.4000111.2L233 F282 F286 L302 S307 V308 T314L233-L310 HydrophobicContact CD2-CD1 3.87Å; F282-L310 HydrophobicContact CD1-CB 4.06Å; F282-L310 HydrophobicContact CD1-CD1 4.11Å; F282-L310 HydrophobicContact CE1-CB 3.76Å; F282-L310 HydrophobicContact CZ-CB 4.12Å; F286-L310 HydrophobicContact CD2-CD2 3.88Å; F286-L310 HydrophobicContact CE2-CB 4.37Å; F286-L310 HydrophobicContact CE2-CD2 3.64Å; L302-L310 HydrophobicContact CD1-CD2 4.34Å; L302-L310 HydrophobicContact CD1-CG 4.35Å; S307-L310 WeakPolarHBondContact O-CB 3.32Å; S307-L310 PolarHBondContact O-N 3.27Å; S307-L310 VanDerWaalsContact O-N 3.11Å; V308-L310 PolarHBondContact O-N 3.29Å; L310-T314 WeakPolarHBondContact O-CB 3.45Å; L310-T314 PolarHBondContact O-N 3.07Å; L310-T314 PolarHBondContact O-OG1 3.35Å
311F98.3Very high96.6Very high0 Ų011.8 Ų11.80%06%0.057CC..Hα-helixtrans-69.5-44.9177.4-64.3-89.1000112.3D248 V251 L252 L255 F282 V308 V309 I313 T314 L315 L362 L367D248-F311 HydrophobicContact CB-CE1 4.39Å; D248-F311 HydrophobicContact CB-CE2 4.44Å; D248-F311 HydrophobicContact CB-CZ 3.64Å; D248-F311 VanDerWaalsContact CG-CZ 3.45Å; D248-F311 VanDerWaalsContact O-CE1 3.31Å; D248-F311 WeakPolarHBondContact O-CE1 3.5Å; V251-F311 HydrophobicContact CB-CE1 3.89Å; V251-F311 HydrophobicContact CB-CZ 4.2Å; V251-F311 HydrophobicContact CG1-CD1 4.39Å; V251-F311 HydrophobicContact CG1-CE1 3.68Å; V251-F311 HydrophobicContact CG1-CZ 4.03Å; L252-F311 HydrophobicContact CB-CD1 4.12Å; L252-F311 HydrophobicContact CB-CE1 3.98Å; L252-F311 HydrophobicContact CD1-CD1 4.2Å; L255-F311 HydrophobicContact CD1-CB 4.14Å; L255-F311 HydrophobicContact CD1-CD1 3.6Å; L255-F311 HydrophobicContact CD1-CE1 4.29Å; L255-F311 HydrophobicContact CD1-CG 4.1Å; F282-F311 HydrophobicContact CE1-CD1 4.06Å; F282-F311 HydrophobicContact CE1-CD2 4.15Å; F282-F311 AromaticContact CE1-CE1 3.87Å; F282-F311 HydrophobicContact CE1-CE1 3.87Å; F282-F311 AromaticContact CE1-CE2 3.91Å; F282-F311 HydrophobicContact CE1-CE2 3.91Å; F282-F311 HydrophobicContact CE1-CG 4.23Å; F282-F311 AromaticContact CE1-CZ 3.81Å; F282-F311 HydrophobicContact CE1-CZ 3.81Å; F282-F311 HydrophobicContact CZ-CD1 4.11Å; F282-F311 HydrophobicContact CZ-CE1 4.27Å; F282-F311 HydrophobicContact CZ-CG 4.36Å; V308-F311 PolarHBondContact O-N 3.27Å; V308-F311 VanDerWaalsContact O-N 3.13Å; V309-F311 VanDerWaalsContact C-N 3.29Å; V309-F311 PolarHBondContact O-N 3.5Å; F311-I313 VanDerWaalsContact C-N 3.34Å; F311-I313 PolarHBondContact O-N 3.27Å; F311-T314 PolarHBondContact O-N 3.3Å; F311-L315 WeakPolarHBondContact O-CB 3.23Å; F311-L315 VanDerWaalsContact O-CG 3.29Å; F311-L315 WeakPolarHBondContact O-CG 3.4Å; F311-L315 PolarHBondContact O-N 2.89Å; F311-L362 HydrophobicContact CB-CD2 3.88Å; F311-L367 HydrophobicContact CD1-CD1 4.23Å; F311-L367 HydrophobicContact CD2-CD1 3.7Å; F311-L367 HydrophobicContact CD2-CD2 3.76Å; F311-L367 HydrophobicContact CD2-CG 4.37Å; F311-L367 HydrophobicContact CE1-CD1 4.1Å; F311-L367 HydrophobicContact CE2-CD1 3.6Å; F311-L367 HydrophobicContact CE2-CD2 3.7Å; F311-L367 HydrophobicContact CE2-CG 4.14Å; F311-L367 HydrophobicContact CG-CD1 4.01Å; F311-L367 HydrophobicContact CZ-CD1 3.77Å
312Q97.8Very high96.5Very high4 Ų412.9 Ų12.92%0.0196%0.062CC..Hα-helixtrans-59.7-47179.7-69.2175-29.500111.3V308 V309 L315 G316 A355 A359V308-Q312 HydrophobicContact CG2-CG 4.42Å; V308-Q312 PolarHBondContact O-N 3.07Å; V308-Q312 VanDerWaalsContact O-N 3.11Å; V309-Q312 PolarHBondContact O-N 2.68Å; Q312-L315 PolarHBondContact O-N 3.46Å; Q312-G316 PolarHBondContact O-N 3.24Å; Q312-A355 HydrophobicContact CB-CB 4.4Å; Q312-A355 WeakPolarHBondContact O-CB 3.46Å; Q312-A359 HydrophobicContact CB-CB 4.28Å; Q312-A359 HydrophobicContact CG-CB 3.89Å; Q312-A359 WeakPolarHBondContact CG-O 3.34Å; Q312-A359 PolarHBondContact NE2-O 2.99Å
313I97.8Very high96.3Very high0 Ų021.1 Ų21.10%010%0.1CC..Hα-helixtrans-64.8-47178.6-65-65.4000110.3F286 I298 V309 F311 L315 G316 M317 L352 A355F286-I313 HydrophobicContact CE1-CG2 4.41Å; F286-I313 HydrophobicContact CE2-CB 4.31Å; F286-I313 HydrophobicContact CE2-CG2 4.15Å; F286-I313 HydrophobicContact CZ-CB 4.31Å; F286-I313 HydrophobicContact CZ-CG2 3.96Å; I298-I313 HydrophobicContact CD1-CG2 3.89Å; I298-I313 HydrophobicContact CG1-CD1 4.2Å; I298-I313 HydrophobicContact CG1-CG1 4.17Å; I298-I313 HydrophobicContact CG1-CG2 4.25Å; I298-I313 HydrophobicContact CG2-CG1 4.44Å; V309-I313 HydrophobicContact CG1-CG1 3.85Å; V309-I313 WeakPolarHBondContact O-CB 3.32Å; V309-I313 VanDerWaalsContact O-CG1 3.24Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.49Å; F311-I313 VanDerWaalsContact C-N 3.34Å; F311-I313 PolarHBondContact O-N 3.27Å; I313-L315 PolarHBondContact O-N 2.86Å; I313-G316 PolarHBondContact O-N 3.04Å; I313-M317 HydrophobicContact CG2-CE 4.23Å; I313-M317 HydrophobicContact CG2-CG 4.16Å; I313-M317 HydrophobicContact CG2-SD 4.29Å; I313-M317 VanDerWaalsContact O-CB 3.25Å; I313-M317 WeakPolarHBondContact O-CB 3.4Å; I313-M317 VanDerWaalsContact O-CG 3.23Å; I313-M317 WeakPolarHBondContact O-CG 3.44Å; I313-M317 PolarHBondContact O-N 2.94Å; I313-L352 HydrophobicContact CD1-CD1 4Å; I313-L352 HydrophobicContact CD1-CG 4.18Å; I313-A355 HydrophobicContact CD1-CB 3.99Å
314T97.9Very high96.1Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-58.9-45.1176.9-62.30000112.5L252 T278 W281 F282 F286 L310 F311 M317 L318L252-T314 HydrophobicContact CD1-CG2 3.8Å; L252-T314 HydrophobicContact CD2-CG2 3.78Å; L252-T314 HydrophobicContact CG-CG2 4.42Å; T278-T314 HydrophobicContact CG2-CG2 4.34Å; W281-T314 HydrophobicContact CE3-CG2 4.29Å; W281-T314 HydrophobicContact CZ3-CG2 4.16Å; F282-T314 HydrophobicContact CE2-CG2 4.32Å; F282-T314 WeakPolarHBondContact CE2-OG1 3.42Å; F286-T314 WeakPolarHBondContact CZ-OG1 3.29Å; L310-T314 WeakPolarHBondContact O-CB 3.45Å; L310-T314 PolarHBondContact O-N 3.07Å; L310-T314 PolarHBondContact O-OG1 3.35Å; F311-T314 PolarHBondContact O-N 3.3Å; T314-M317 PolarHBondContact O-N 3.48Å; T314-L318 HydrophobicContact CG2-CD1 3.96Å; T314-L318 HydrophobicContact CG2-CG 4.35Å; T314-L318 WeakPolarHBondContact O-CB 3.48Å; T314-L318 VanDerWaalsContact O-CG 3.24Å; T314-L318 WeakPolarHBondContact O-CG 3.5Å; T314-L318 PolarHBondContact O-N 3.47Å
315L98.1Very high96Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-65.1-41.1178-69.6169.5000112.1L252 L255 Y259 L260 F311 Q312 I313 L318 K319 I358 A359L252-L315 HydrophobicContact CD1-CD2 4.37Å; L252-L315 HydrophobicContact CD1-CG 4.47Å; L255-L315 HydrophobicContact CB-CD1 4.12Å; L255-L315 HydrophobicContact CB-CD2 4.42Å; Y259-L315 HydrophobicContact CD2-CD1 4.12Å; Y259-L315 HydrophobicContact CG-CD1 4.32Å; L260-L315 HydrophobicContact CD1-CD2 4.02Å; L260-L315 HydrophobicContact CG-CD2 4.5Å; F311-L315 WeakPolarHBondContact O-CB 3.23Å; F311-L315 VanDerWaalsContact O-CG 3.29Å; F311-L315 WeakPolarHBondContact O-CG 3.4Å; F311-L315 PolarHBondContact O-N 2.89Å; Q312-L315 PolarHBondContact O-N 3.46Å; I313-L315 PolarHBondContact O-N 2.86Å; L315-L318 PolarHBondContact O-N 3.39Å; L315-K319 VanDerWaalsContact O-CB 3.29Å; L315-K319 WeakPolarHBondContact O-CB 3.41Å; L315-K319 PolarHBondContact O-N 2.94Å; L315-I358 HydrophobicContact CB-CG2 4.14Å; L315-A359 HydrophobicContact CD1-CB 3.86Å
316G97.4Very high95.9Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-62.4-46.7175.500000112Q312 I313 L318 K319 I320Q312-G316 PolarHBondContact O-N 3.24Å; I313-G316 PolarHBondContact O-N 3.04Å; G316-L318 PolarHBondContact O-N 3.34Å; G316-K319 PolarHBondContact O-N 2.88Å; G316-I320 WeakPolarHBondContact O-CG1 3.31Å; G316-I320 PolarHBondContact O-N 3.18Å
317M96.8Very high95.8Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-57.4-48.1175.3-79.7-153.7-52.300112.3W281 F286 I313 T314 K319 I320 K321 L341 P342 L345 V351W281-M317 HydrophobicContact CE3-CE 3.86Å; W281-M317 HydrophobicContact CZ3-CE 3.76Å; F286-M317 HydrophobicContact CD1-CE 4.1Å; F286-M317 HydrophobicContact CE1-CE 3.39Å; F286-M317 HydrophobicContact CZ-CE 4.13Å; I313-M317 HydrophobicContact CG2-CE 4.23Å; I313-M317 HydrophobicContact CG2-CG 4.16Å; I313-M317 HydrophobicContact CG2-SD 4.29Å; I313-M317 VanDerWaalsContact O-CB 3.25Å; I313-M317 WeakPolarHBondContact O-CB 3.4Å; I313-M317 VanDerWaalsContact O-CG 3.23Å; I313-M317 WeakPolarHBondContact O-CG 3.44Å; I313-M317 PolarHBondContact O-N 2.94Å; T314-M317 PolarHBondContact O-N 3.48Å; M317-K319 VanDerWaalsContact C-N 3.33Å; M317-K319 PolarHBondContact O-N 3.28Å; M317-I320 PolarHBondContact O-N 3.08Å; M317-K321 PolarHBondContact O-N 3.42Å; M317-L341 HydrophobicContact CB-CD2 3.55Å; M317-L341 HydrophobicContact CE-CD2 4.45Å; M317-L341 HydrophobicContact CG-CD2 4.13Å; M317-L341 HydrophobicContact SD-CD2 3.97Å; M317-P342 HydrophobicContact SD-CB 4.48Å; M317-L345 HydrophobicContact CB-CD1 3.79Å; M317-L345 HydrophobicContact CG-CD1 3.43Å; M317-L345 VanDerWaalsContact CG-CD1 3.43Å; M317-L345 HydrophobicContact SD-CD1 3.85Å; M317-V351 HydrophobicContact CG-CG1 3.83Å
318L96.8Very high95.5Very high0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-64.1-37.7175.9-69.4173.3000112.1L260 L263 L274 T314 L315 G316 K321 E322 L338 L341L260-L318 HydrophobicContact CD1-CB 3.53Å; L260-L318 HydrophobicContact CD1-CD1 4.19Å; L263-L318 HydrophobicContact CD2-CB 3.94Å; L263-L318 HydrophobicContact CD2-CD1 4.27Å; L263-L318 HydrophobicContact CD2-CD2 4.11Å; L263-L318 HydrophobicContact CD2-CG 4.33Å; L274-L318 HydrophobicContact CD2-CD1 4.16Å; T314-L318 HydrophobicContact CG2-CD1 3.96Å; T314-L318 HydrophobicContact CG2-CG 4.35Å; T314-L318 WeakPolarHBondContact O-CB 3.48Å; T314-L318 VanDerWaalsContact O-CG 3.24Å; T314-L318 WeakPolarHBondContact O-CG 3.5Å; T314-L318 PolarHBondContact O-N 3.47Å; L315-L318 PolarHBondContact O-N 3.39Å; G316-L318 PolarHBondContact O-N 3.34Å; L318-K321 CarbonylContact O-C 3.6Å; L318-K321 PolarHBondContact O-N 3.5Å; L318-E322 PolarHBondContact O-N 2.92Å; L318-L338 HydrophobicContact CD2-CD2 3.45Å; L318-L338 VanDerWaalsContact CD2-CD2 3.45Å; L318-L341 HydrophobicContact CD2-CD1 4.06Å
319K97Very high94.7Very high67 Ų6738.1 Ų38.129%0.29120%0.199SC..Hα-helixtrans-65-40.8178.7-175.755.6-175.51790112.4L260 L315 G316 M317 K321 E322 E354 I358L260-K319 HydrophobicContact CD2-CB 3.91Å; L260-K319 HydrophobicContact CD2-CD 3.52Å; L260-K319 HydrophobicContact CD2-CG 4.21Å; L315-K319 VanDerWaalsContact O-CB 3.29Å; L315-K319 WeakPolarHBondContact O-CB 3.41Å; L315-K319 PolarHBondContact O-N 2.94Å; G316-K319 PolarHBondContact O-N 2.88Å; M317-K319 VanDerWaalsContact C-N 3.33Å; M317-K319 PolarHBondContact O-N 3.28Å; K319-K321 PolarHBondContact O-N 2.93Å; K319-E322 HydrophobicContact CD-CB 4.49Å; K319-E322 VanDerWaalsContact CD-OE2 3.24Å; K319-E322 WeakPolarHBondContact CD-OE2 3.47Å; K319-E322 WeakPolarHBondContact CE-OE2 3.49Å; K319-E322 IonicContact NZ-OE2 2.68Å; K319-E322 PolarHBondContact NZ-OE2 2.87Å; K319-E322 WeakPolarHBondContact O-CB 3.46Å; K319-E322 PolarHBondContact O-N 2.79Å; K319-E354 HydrophobicContact CB-CG 4.27Å; K319-E354 HydrophobicContact CG-CG 4.27Å; K319-E354 WeakPolarHBondContact CG-OE1 3.23Å; K319-I358 HydrophobicContact CB-CD1 3.92Å; K319-I358 HydrophobicContact CD-CD1 4.14Å; K319-I358 HydrophobicContact CG-CD1 3.95Å
320I96.1Very high93.9Very high69 Ų6941.8 Ų41.835%0.35422%0.218SC..Hα-helixtrans-58.8-37.4177.9-69.2168.3000111.2G316 M317 L345 V351 E354G316-I320 WeakPolarHBondContact O-CG1 3.31Å; G316-I320 PolarHBondContact O-N 3.18Å; M317-I320 PolarHBondContact O-N 3.08Å; I320-L345 HydrophobicContact CB-CD2 4.45Å; I320-L345 HydrophobicContact CD1-CD1 4.45Å; I320-L345 HydrophobicContact CD1-CD2 4.35Å; I320-L345 HydrophobicContact CG2-CD2 3.78Å; I320-V351 HydrophobicContact CD1-CB 4.44Å; I320-V351 HydrophobicContact CD1-CG2 4.01Å; I320-E354 HydrophobicContact CD1-CB 4.12Å; I320-E354 HydrophobicContact CD1-CG 4.33Å; I320-E354 HydrophobicContact CG1-CB 4.1Å; I320-E354 HydrophobicContact CG1-CG 3.79Å
321K94.3Very high93.1Very high31 Ų3144.1 Ų44.114%0.13524%0.235CC..THydrogen-bonded Turntrans-96.43.3-179.2-71.4-61.5-161.7163.80114.3M317 L318 K319 E323 E324 L325 L341M317-K321 PolarHBondContact O-N 3.42Å; L318-K321 CarbonylContact O-C 3.6Å; L318-K321 PolarHBondContact O-N 3.5Å; K319-K321 PolarHBondContact O-N 2.93Å; K321-E323 VanDerWaalsContact C-N 3.33Å; K321-E323 PolarHBondContact O-N 3.34Å; K321-E324 WeakPolarHBondContact CD-OE2 3.44Å; K321-E324 IonicContact NZ-OE1 3.67Å; K321-E324 IonicContact NZ-OE2 2.75Å; K321-E324 PolarHBondContact NZ-OE2 2.8Å; K321-E324 PolarHBondContact O-N 2.75Å; K321-L325 HydrophobicContact CB-CD1 4.03Å; K321-L325 HydrophobicContact CB-CG 4.31Å; K321-L325 WeakPolarHBondContact O-CB 3.5Å; K321-L325 VanDerWaalsContact O-CG 3.25Å; K321-L325 WeakPolarHBondContact O-CG 3.4Å; K321-L325 PolarHBondContact O-N 3.04Å; K321-L341 HydrophobicContact CB-CD1 3.9Å; K321-L341 HydrophobicContact CB-CG 4.43Å; K321-L341 HydrophobicContact CG-CD1 3.94Å; K321-L341 HydrophobicContact CG-CG 3.91Å
322E94.8Very high92Very high22 Ų2247 Ų4710%0.10326%0.258CS..Hα-helixtrans-58.4-43.5-172.4-175.7177.2-147.500112.2L263 L318 K319 E324 L325 V326L263-E322 HydrophobicContact CB-CG 4.37Å; L318-E322 PolarHBondContact O-N 2.92Å; K319-E322 HydrophobicContact CD-CB 4.49Å; K319-E322 VanDerWaalsContact CD-OE2 3.24Å; K319-E322 WeakPolarHBondContact CD-OE2 3.47Å; K319-E322 WeakPolarHBondContact CE-OE2 3.49Å; K319-E322 IonicContact NZ-OE2 2.68Å; K319-E322 PolarHBondContact NZ-OE2 2.87Å; K319-E322 WeakPolarHBondContact O-CB 3.46Å; K319-E322 PolarHBondContact O-N 2.79Å; E322-E324 PolarHBondContact O-N 2.8Å; E322-L325 PolarHBondContact O-N 2.64Å; E322-V326 HydrophobicContact CG-CG2 4.21Å; E322-V326 WeakPolarHBondContact O-CB 3.49Å; E322-V326 VanDerWaalsContact O-CG2 3.24Å; E322-V326 WeakPolarHBondContact O-CG2 2.94Å; E322-V326 PolarHBondContact O-N 2.86Å
323E93.5Very high91.3Very high174 Ų17448.9 Ų48.981%0.81327%0.272SS*.Hα-helixtrans-63.5-41.5-179.9-65.6-175176.700112.4K321 A327K321-E323 VanDerWaalsContact C-N 3.33Å; K321-E323 PolarHBondContact O-N 3.34Å; E323-A327 VanDerWaalsContact O-CB 3.3Å; E323-A327 WeakPolarHBondContact O-CB 3.39Å; E323-A327 PolarHBondContact O-N 3.1Å
324E93.6Very high90.5Very high83 Ų8348.9 Ų48.939%0.38827%0.272SS..Hα-helixtrans-68-40.9177.2-174.5-175149.100111.7K321 E322 A327 S328 T337K321-E324 WeakPolarHBondContact CD-OE2 3.44Å; K321-E324 IonicContact NZ-OE1 3.67Å; K321-E324 IonicContact NZ-OE2 2.75Å; K321-E324 PolarHBondContact NZ-OE2 2.8Å; K321-E324 PolarHBondContact O-N 2.75Å; E322-E324 PolarHBondContact O-N 2.8Å; E324-A327 PolarHBondContact O-N 3.1Å; E324-S328 PolarHBondContact O-N 3.02Å; E324-S328 PolarHBondContact O-OG 2.73Å; E324-T337 HydrophobicContact CG-CG2 4.46Å; E324-T337 WeakPolarHBondContact OE1-CG2 3.24Å
325L92.1Very high89.7Confident0 Ų052.7 Ų52.70%029%0.289CS..Hα-helixtrans-63.8-47177-70166.1000110.7L263 L266 K321 E322 A327 S328 I334 T337 L338L263-L325 HydrophobicContact CD1-CB 4.02Å; L263-L325 HydrophobicContact CD1-CD1 3.86Å; L263-L325 HydrophobicContact CD2-CD1 4.38Å; L266-L325 HydrophobicContact CD2-CB 4.23Å; L266-L325 WeakPolarHBondContact CD2-O 3.34Å; K321-L325 HydrophobicContact CB-CD1 4.03Å; K321-L325 HydrophobicContact CB-CG 4.31Å; K321-L325 WeakPolarHBondContact O-CB 3.5Å; K321-L325 VanDerWaalsContact O-CG 3.25Å; K321-L325 WeakPolarHBondContact O-CG 3.4Å; K321-L325 PolarHBondContact O-N 3.04Å; E322-L325 PolarHBondContact O-N 2.64Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 3.37Å; L325-S328 VanDerWaalsContact O-CB 3.24Å; L325-S328 WeakPolarHBondContact O-CB 3.44Å; L325-S328 PolarHBondContact O-N 3.15Å; L325-S328 VanDerWaalsContact O-N 3.12Å; L325-S328 PolarHBondContact O-OG 3.39Å; L325-I334 HydrophobicContact CD2-CG2 4.17Å; L325-T337 HydrophobicContact CD2-CG2 3.63Å; L325-T337 HydrophobicContact CG-CG2 4.23Å; L325-L338 HydrophobicContact CD1-CD2 3.67Å; L325-L338 HydrophobicContact CD1-CG 4.46Å; L325-L338 HydrophobicContact CD2-CD2 3.88Å; L325-L338 HydrophobicContact CD2-CG 3.74Å; L325-L338 HydrophobicContact CG-CD2 4.46Å
326V91.4Very high89.1Confident71 Ų7157 Ų5743%0.4331%0.312SS..Hα-helixtrans-66.7-28.9179.1172.50000112.2A262 E322 S328A262-V326 HydrophobicContact CB-CG2 4.44Å; E322-V326 HydrophobicContact CG-CG2 4.21Å; E322-V326 WeakPolarHBondContact O-CB 3.49Å; E322-V326 VanDerWaalsContact O-CG2 3.24Å; E322-V326 WeakPolarHBondContact O-CG2 2.94Å; E322-V326 PolarHBondContact O-N 2.86Å; V326-S328 VanDerWaalsContact C-N 3.3Å
327A91.8Very high88.7Confident81 Ų8157.7 Ų57.767%0.66932%0.316SS*.THydrogen-bonded Turntrans-80.4-6.3175.300000114.1E323 E324 L325E323-A327 VanDerWaalsContact O-CB 3.3Å; E323-A327 WeakPolarHBondContact O-CB 3.39Å; E323-A327 PolarHBondContact O-N 3.1Å; E324-A327 PolarHBondContact O-N 3.1Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 3.37Å
328S89.6Confident88.3Confident18 Ų1857.7 Ų57.713%0.12632%0.316CS..  trans-72137.7-176.5-67.70000112.2E324 L325 V326 I334E324-S328 PolarHBondContact O-N 3.02Å; E324-S328 PolarHBondContact O-OG 2.73Å; L325-S328 VanDerWaalsContact O-CB 3.24Å; L325-S328 WeakPolarHBondContact O-CB 3.44Å; L325-S328 PolarHBondContact O-N 3.15Å; L325-S328 VanDerWaalsContact O-N 3.12Å; L325-S328 PolarHBondContact O-OG 3.39Å; V326-S328 VanDerWaalsContact C-N 3.3Å; S328-I334 VanDerWaalsContact CB-CG1 3.5Å
329E79.8Confident87.8Confident180 Ų18059.7 Ų59.784%0.84133%0.33SS*.SBendtrans-82.7-20.9-171.3-60.8-177.7170.600114.5
330N79.5Confident87.3Confident78 Ų7860.5 Ų60.542%0.41734%0.338SS..SBendtrans-150.5160.1-173.665.465.9000113.1A332 S333 I334N330-A332 VanDerWaalsContact C-N 3.28Å; N330-A332 PolarHBondContact O-N 3.07Å; N330-A332 PolarHBondContact OD1-N 3.3Å; N330-S333 WeakPolarHBondContact O-CB 3.5Å; N330-S333 PolarHBondContact O-N 3.44Å; N330-S333 PolarHBondContact OD1-N 3.11Å; N330-I334 WeakPolarHBondContact O-CG1 3.49Å; N330-I334 PolarHBondContact O-N 3.2Å
331S81.7Confident87.1Confident49 Ų4957.2 Ų57.234%0.34332%0.321SS..Hα-helixtrans-60.9-33.3-175.7-47.80000113.5H270 I334 F335H270-S331 WeakPolarHBondContact CB-OG 3.4Å; H270-S331 PolarHBondContact ND1-OG 3.28Å; H270-S331 PolarHBondContact O-OG 3.25Å; S331-I334 PolarHBondContact O-N 3.37Å; S331-F335 WeakPolarHBondContact O-CB 3.29Å; S331-F335 PolarHBondContact O-N 3.23Å
332A74.2Confident86.8Confident60 Ų6055.9 Ų55.950%0.49632%0.315SS..Hα-helixtrans-69.3-41179.800000111.8N330 F335 N336N330-A332 VanDerWaalsContact C-N 3.28Å; N330-A332 PolarHBondContact O-N 3.07Å; N330-A332 PolarHBondContact OD1-N 3.3Å; A332-F335 PolarHBondContact O-N 3.32Å; A332-N336 WeakPolarHBondContact O-CB 3.35Å; A332-N336 PolarHBondContact O-N 3.44Å; A332-N336 PolarHBondContact O-ND2 3.32Å
333S83.4Confident86.4Confident44 Ų4457.9 Ų57.931%0.30833%0.331SS..Hα-helixtrans-60.2-47.5173.5-169.60000110.6N330 F335 N336 T337N330-S333 WeakPolarHBondContact O-CB 3.5Å; N330-S333 PolarHBondContact O-N 3.44Å; N330-S333 PolarHBondContact OD1-N 3.11Å; S333-F335 PolarHBondContact O-N 3.34Å; S333-N336 PolarHBondContact O-N 3.08Å; S333-T337 WeakPolarHBondContact O-CB 3.2Å; S333-T337 PolarHBondContact O-N 3.19Å; S333-T337 PolarHBondContact O-OG1 2.83Å; S333-T337 VanDerWaalsContact O-OG1 3.05Å
334I81.5Confident86.1Confident0 Ų053 Ų530%031%0.309CS..Hα-helixtrans-59.5-48178.2-61.8163.4000110.7L266 L267 H270 I272 L325 S328 N330 S331 N336 T337 L338L266-I334 HydrophobicContact CD1-CD1 3.97Å; L266-I334 HydrophobicContact CD2-CD1 3.84Å; L266-I334 HydrophobicContact CD2-CG1 4.19Å; L266-I334 HydrophobicContact CD2-CG2 4.32Å; L266-I334 HydrophobicContact CG-CD1 3.86Å; L267-I334 HydrophobicContact CD2-CG2 4.42Å; H270-I334 HydrophobicContact CB-CD1 4.26Å; I272-I334 HydrophobicContact CD1-CB 3.65Å; I272-I334 HydrophobicContact CD1-CD1 4.18Å; I272-I334 HydrophobicContact CD1-CG2 3.48Å; I272-I334 VanDerWaalsContact CD1-CG2 3.48Å; L325-I334 HydrophobicContact CD2-CG2 4.17Å; S328-I334 VanDerWaalsContact CB-CG1 3.5Å; N330-I334 WeakPolarHBondContact O-CG1 3.49Å; N330-I334 PolarHBondContact O-N 3.2Å; S331-I334 PolarHBondContact O-N 3.37Å; I334-N336 PolarHBondContact O-N 3.48Å; I334-T337 PolarHBondContact O-N 3.42Å; I334-L338 HydrophobicContact CG2-CD1 3.89Å; I334-L338 HydrophobicContact CG2-CG 4.42Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.27Å; I334-L338 WeakPolarHBondContact O-CG 3.46Å; I334-L338 PolarHBondContact O-N 3.17Å
335F80.9Confident85.8Confident79 Ų7949.8 Ų49.835%0.34629%0.294SS..Hα-helixtrans-61.5-43.1179.7-173.8-84.6000112.4I277 S331 A332 S333 L338 S339I277-F335 HydrophobicContact CD1-CD2 3.72Å; I277-F335 HydrophobicContact CD1-CE2 3.75Å; I277-F335 HydrophobicContact CD1-CG 4.37Å; I277-F335 HydrophobicContact CD1-CZ 4.41Å; I277-F335 HydrophobicContact CG1-CD2 4.14Å; I277-F335 HydrophobicContact CG1-CE2 3.64Å; I277-F335 HydrophobicContact CG1-CZ 3.93Å; S331-F335 WeakPolarHBondContact O-CB 3.29Å; S331-F335 PolarHBondContact O-N 3.23Å; A332-F335 PolarHBondContact O-N 3.32Å; S333-F335 PolarHBondContact O-N 3.34Å; F335-L338 PolarHBondContact O-N 2.88Å; F335-S339 WeakPolarHBondContact CE1-OG 3.35Å; F335-S339 VanDerWaalsContact O-CB 3.31Å; F335-S339 WeakPolarHBondContact O-CB 3.47Å; F335-S339 PolarHBondContact O-N 3.36Å; F335-S339 PolarHBondContact O-OG 3.41Å
336N84.6Confident85.2Confident91 Ų9154.4 Ų54.449%0.48731%0.314SS..Hα-helixtrans-66.5-47.3177.9-70.3-18.8000111.3A332 S333 I334 L338 S339 D340A332-N336 WeakPolarHBondContact O-CB 3.35Å; A332-N336 PolarHBondContact O-N 3.44Å; A332-N336 PolarHBondContact O-ND2 3.32Å; S333-N336 PolarHBondContact O-N 3.08Å; I334-N336 PolarHBondContact O-N 3.48Å; N336-L338 VanDerWaalsContact C-N 3.31Å; N336-L338 PolarHBondContact O-N 3.42Å; N336-S339 PolarHBondContact O-N 3.29Å; N336-S339 VanDerWaalsContact O-N 3.14Å; N336-D340 WeakPolarHBondContact O-CB 3.39Å; N336-D340 PolarHBondContact O-N 3.04Å
337T89.4Confident84.8Confident14 Ų1455.6 Ų55.69%0.08632%0.318CS..Hα-helixtrans-58.5-43.4176.5-60.90000111.1E324 L325 S333 I334 L341E324-T337 HydrophobicContact CG-CG2 4.46Å; E324-T337 WeakPolarHBondContact OE1-CG2 3.24Å; L325-T337 HydrophobicContact CD2-CG2 3.63Å; L325-T337 HydrophobicContact CG-CG2 4.23Å; S333-T337 WeakPolarHBondContact O-CB 3.2Å; S333-T337 PolarHBondContact O-N 3.19Å; S333-T337 PolarHBondContact O-OG1 2.83Å; S333-T337 VanDerWaalsContact O-OG1 3.05Å; I334-T337 PolarHBondContact O-N 3.42Å; T337-L341 WeakPolarHBondContact O-CA 3.38Å; T337-L341 VanDerWaalsContact O-CB 3.32Å; T337-L341 WeakPolarHBondContact O-CB 3.49Å; T337-L341 PolarHBondContact O-N 3.19Å
338L87.9Confident84.6Confident0 Ų052.1 Ų52.10%029%0.29CS..Hα-helixtrans-64.9-41.8175.4-72.5170.1000112.5L267 L274 I277 W281 L318 L325 I334 F335 N336 L341L267-L338 HydrophobicContact CD2-CD1 3.94Å; L274-L338 HydrophobicContact CD1-CD1 4.32Å; L274-L338 HydrophobicContact CD1-CD2 4.48Å; I277-L338 HydrophobicContact CD1-CB 3.73Å; I277-L338 HydrophobicContact CD1-CD1 3.91Å; I277-L338 HydrophobicContact CD1-CG 4.48Å; W281-L338 VanDerWaalsContact CZ2-O 3.24Å; W281-L338 WeakPolarHBondContact CZ2-O 3.45Å; L318-L338 HydrophobicContact CD2-CD2 3.45Å; L318-L338 VanDerWaalsContact CD2-CD2 3.45Å; L325-L338 HydrophobicContact CD1-CD2 3.67Å; L325-L338 HydrophobicContact CD1-CG 4.46Å; L325-L338 HydrophobicContact CD2-CD2 3.88Å; L325-L338 HydrophobicContact CD2-CG 3.74Å; L325-L338 HydrophobicContact CG-CD2 4.46Å; I334-L338 HydrophobicContact CG2-CD1 3.89Å; I334-L338 HydrophobicContact CG2-CG 4.42Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.27Å; I334-L338 WeakPolarHBondContact O-CG 3.46Å; I334-L338 PolarHBondContact O-N 3.17Å; F335-L338 PolarHBondContact O-N 2.88Å; N336-L338 VanDerWaalsContact C-N 3.31Å; N336-L338 PolarHBondContact O-N 3.42Å; L338-L341 HydrophobicContact CD2-CD1 4.42Å; L338-L341 WeakPolarHBondContact O-CB 3.23Å; L338-L341 PolarHBondContact O-N 3.05Å
339S85.9Confident84.5Confident43 Ų4356 Ų5630%0.30132%0.315SS..Hα-helixtrans-66.6-40.6-179.2-62.70000112.1F335 N336 L341F335-S339 WeakPolarHBondContact CE1-OG 3.35Å; F335-S339 VanDerWaalsContact O-CB 3.31Å; F335-S339 WeakPolarHBondContact O-CB 3.47Å; F335-S339 PolarHBondContact O-N 3.36Å; F335-S339 PolarHBondContact O-OG 3.41Å; N336-S339 PolarHBondContact O-N 3.29Å; N336-S339 VanDerWaalsContact O-N 3.14Å; S339-L341 VanDerWaalsContact C-N 3.33Å
340D87Confident85.1Confident84 Ų8449.7 Ų49.745%0.44929%0.294SS..Hα-helixtrans-81.3-15.8179.5-68.6-23.7000112.8N336 P342 S343 Q344N336-D340 WeakPolarHBondContact O-CB 3.39Å; N336-D340 PolarHBondContact O-N 3.04Å; D340-P342 VanDerWaalsContact C-CD 3.46Å; D340-S343 PolarHBondContact O-N 2.75Å; D340-S343 PolarHBondContact O-OG 3.05Å; D340-Q344 PolarHBondContact O-N 3.17Å
341L91.3Very high85.8Confident0 Ų046.1 Ų46.10%027%0.274CS..Hα-helixtrans-44.4-53-173.7-170.1161.7000113.2W281 M317 L318 K321 T337 L338 S339 S343 Q344 L345W281-L341 HydrophobicContact CH2-CB 4.4Å; M317-L341 HydrophobicContact CB-CD2 3.55Å; M317-L341 HydrophobicContact CE-CD2 4.45Å; M317-L341 HydrophobicContact CG-CD2 4.13Å; M317-L341 HydrophobicContact SD-CD2 3.97Å; L318-L341 HydrophobicContact CD2-CD1 4.06Å; K321-L341 HydrophobicContact CB-CD1 3.9Å; K321-L341 HydrophobicContact CB-CG 4.43Å; K321-L341 HydrophobicContact CG-CD1 3.94Å; K321-L341 HydrophobicContact CG-CG 3.91Å; T337-L341 WeakPolarHBondContact O-CA 3.38Å; T337-L341 VanDerWaalsContact O-CB 3.32Å; T337-L341 WeakPolarHBondContact O-CB 3.49Å; T337-L341 PolarHBondContact O-N 3.19Å; L338-L341 HydrophobicContact CD2-CD1 4.42Å; L338-L341 WeakPolarHBondContact O-CB 3.23Å; L338-L341 PolarHBondContact O-N 3.05Å; S339-L341 VanDerWaalsContact C-N 3.33Å; L341-S343 PolarHBondContact O-N 2.7Å; L341-Q344 PolarHBondContact O-N 3.4Å; L341-Q344 VanDerWaalsContact O-N 3.13Å; L341-L345 HydrophobicContact CD2-CD1 3.45Å; L341-L345 VanDerWaalsContact CD2-CD1 3.45Å; L341-L345 HydrophobicContact CD2-CG 4.18Å; L341-L345 HydrophobicContact CG-CD1 4.47Å; L341-L345 PolarHBondContact O-N 3.47Å
342P89.8Confident86.3Confident2 Ų244.4 Ų44.41%0.01326%0.261CS..Hα-helixtrans-62.9-31-174.7-22.536.4000113.1W281 V289 V290 M317 D340W281-P342 HydrophobicContact CD2-CG 4.04Å; W281-P342 VanDerWaalsContact CE2-CG 3.43Å; W281-P342 HydrophobicContact CE3-CG 4.45Å; W281-P342 HydrophobicContact CH2-CG 3.8Å; W281-P342 HydrophobicContact CZ2-CG 3.3Å; W281-P342 HydrophobicContact CZ3-CG 4.34Å; V289-P342 HydrophobicContact CB-CB 3.88Å; V289-P342 HydrophobicContact CB-CG 4.11Å; V289-P342 HydrophobicContact CG2-CB 3.93Å; V289-P342 HydrophobicContact CG2-CG 4.15Å; V289-P342 WeakPolarHBondContact O-CB 3.41Å; V290-P342 HydrophobicContact CG1-CB 3.81Å; M317-P342 HydrophobicContact SD-CB 4.48Å; D340-P342 VanDerWaalsContact C-CD 3.46Å
343S85.8Confident87.3Confident64 Ų6443.6 Ų43.645%0.44826%0.259SS..Hα-helixtrans-76.7-24.1-179.874.50000113.3D340 L341D340-S343 PolarHBondContact O-N 2.75Å; D340-S343 PolarHBondContact O-OG 3.05Å; L341-S343 PolarHBondContact O-N 2.7Å
344Q86.8Confident87.9Confident73 Ų7343.2 Ų43.234%0.34125%0.252SS..Hα-helixtrans-81.1-20.5179.5-63.3-178.414.600112.5D340 L341 K346D340-Q344 PolarHBondContact O-N 3.17Å; L341-Q344 PolarHBondContact O-N 3.4Å; L341-Q344 VanDerWaalsContact O-N 3.13Å; Q344-K346 PolarHBondContact O-N 3.05Å
345L87.3Confident88.6Confident15 Ų1543.2 Ų43.28%0.07925%0.252CS..  trans-9290.9-175.3-63.5-177.5000111.9L294 M317 I320 L341 V351L294-L345 WeakPolarHBondContact CD2-O 3.03Å; M317-L345 HydrophobicContact CB-CD1 3.79Å; M317-L345 HydrophobicContact CG-CD1 3.43Å; M317-L345 VanDerWaalsContact CG-CD1 3.43Å; M317-L345 HydrophobicContact SD-CD1 3.85Å; I320-L345 HydrophobicContact CB-CD2 4.45Å; I320-L345 HydrophobicContact CD1-CD1 4.45Å; I320-L345 HydrophobicContact CD1-CD2 4.35Å; I320-L345 HydrophobicContact CG2-CD2 3.78Å; L341-L345 HydrophobicContact CD2-CD1 3.45Å; L341-L345 VanDerWaalsContact CD2-CD1 3.45Å; L341-L345 HydrophobicContact CD2-CG 4.18Å; L341-L345 HydrophobicContact CG-CD1 4.47Å; L341-L345 PolarHBondContact O-N 3.47Å; L345-V351 HydrophobicContact CB-CG2 3.8Å; L345-V351 HydrophobicContact CD1-CG2 4.04Å; L345-V351 HydrophobicContact CG-CG2 4.35Å
346K78.6Confident89.3Confident97 Ų9741.8 Ų41.842%0.42225%0.247SC..  trans-94.9-24.9-177.9-59.2-178.9-175.1173.70114.3L61 Q344 G348L61-K346 VanDerWaalsContact C-CE 3.47Å; L61-K346 VanDerWaalsContact O-CE 3.24Å; L61-K346 WeakPolarHBondContact O-CE 3.5Å; L61-K346 PolarHBondContact O-NZ 2.9Å; Q344-K346 PolarHBondContact O-N 3.05Å; K346-G348 PolarHBondContact O-N 2.99Å; K346-G348 VanDerWaalsContact O-N 3.07Å
347D84.5Confident89.8Confident95 Ų9545 Ų4551%0.50825%0.253SS..  trans-80.989.4179.1-172.9-18.5000110.2P349 A350 V351D347-P349 WeakPolarHBondContact OD1-CD 3.22Å; D347-A350 HydrophobicContact CB-CB 3.85Å; D347-A350 PolarHBondContact O-N 2.72Å; D347-A350 PolarHBondContact OD1-N 2.74Å; D347-V351 WeakPolarHBondContact O-CG2 3.35Å; D347-V351 PolarHBondContact O-N 3.34Å
348G86.1Confident90.2Very high8 Ų845.5 Ų45.58%0.08225%0.254CS..Hα-helixtrans-56-49.8179.500000114.1K346 A350 V351 L352K346-G348 PolarHBondContact O-N 2.99Å; K346-G348 VanDerWaalsContact O-N 3.07Å; G348-A350 VanDerWaalsContact C-N 3.31Å; G348-A350 PolarHBondContact O-N 2.99Å; G348-V351 PolarHBondContact O-N 2.68Å; G348-L352 WeakPolarHBondContact O-CB 3.41Å; G348-L352 VanDerWaalsContact O-CD1 3.22Å; G348-L352 WeakPolarHBondContact O-CD1 3.43Å; G348-L352 PolarHBondContact O-N 2.99Å
349P88.6Confident90.5Very high101 Ų10145.5 Ų45.566%0.65625%0.254SS*.Hα-helixtrans-52-43.5172.8-29.535.1000114.3D347 G353D347-P349 WeakPolarHBondContact OD1-CD 3.22Å; P349-G353 PolarHBondContact O-N 3.25Å
350A91.4Very high90.7Very high47 Ų4745.3 Ų45.339%0.38826%0.26SS..Hα-helixtrans-65-45.5177.500000112.1D347 G348 G353 E354D347-A350 HydrophobicContact CB-CB 3.85Å; D347-A350 PolarHBondContact O-N 2.72Å; D347-A350 PolarHBondContact OD1-N 2.74Å; G348-A350 VanDerWaalsContact C-N 3.31Å; G348-A350 PolarHBondContact O-N 2.99Å; A350-G353 PolarHBondContact O-N 3.28Å; A350-E354 WeakPolarHBondContact O-CB 3.15Å; A350-E354 PolarHBondContact O-N 2.9Å
351V94.1Very high90.9Very high2 Ų247.2 Ų47.21%0.01228%0.275CS..Hα-helixtrans-60.7-48.2177.8176.40000111.4L294 M317 I320 L345 D347 G348 E354 A355L294-V351 HydrophobicContact CD1-CB 4.43Å; L294-V351 HydrophobicContact CD1-CG1 4.44Å; L294-V351 HydrophobicContact CD2-CG2 4.49Å; M317-V351 HydrophobicContact CG-CG1 3.83Å; I320-V351 HydrophobicContact CD1-CB 4.44Å; I320-V351 HydrophobicContact CD1-CG2 4.01Å; L345-V351 HydrophobicContact CB-CG2 3.8Å; L345-V351 HydrophobicContact CD1-CG2 4.04Å; L345-V351 HydrophobicContact CG-CG2 4.35Å; D347-V351 WeakPolarHBondContact O-CG2 3.35Å; D347-V351 PolarHBondContact O-N 3.34Å; G348-V351 PolarHBondContact O-N 2.68Å; V351-E354 PolarHBondContact O-N 3.43Å; V351-A355 VanDerWaalsContact O-CB 3.31Å; V351-A355 WeakPolarHBondContact O-CB 3.24Å; V351-A355 PolarHBondContact O-N 2.87Å
352L93.6Very high91Very high13 Ų1347.7 Ų47.77%0.06828%0.277CS..Hα-helixtrans-65.5-40.6179.1-88.867.9000111.3L294 R297 L301 I313 G348 A355 M356L294-L352 HydrophobicContact CD1-CD1 3.8Å; R297-L352 HydrophobicContact CB-CD1 4.21Å; R297-L352 HydrophobicContact CB-CD2 4.02Å; L301-L352 HydrophobicContact CD1-CD2 3.63Å; L301-L352 HydrophobicContact CD1-CG 3.99Å; I313-L352 HydrophobicContact CD1-CD1 4Å; I313-L352 HydrophobicContact CD1-CG 4.18Å; G348-L352 WeakPolarHBondContact O-CB 3.41Å; G348-L352 VanDerWaalsContact O-CD1 3.22Å; G348-L352 WeakPolarHBondContact O-CD1 3.43Å; G348-L352 PolarHBondContact O-N 2.99Å; L352-A355 PolarHBondContact O-N 3.24Å; L352-M356 VanDerWaalsContact O-CG 3.24Å; L352-M356 WeakPolarHBondContact O-CG 3.28Å; L352-M356 PolarHBondContact O-N 2.96Å
353G94.8Very high91Very high43 Ų4349.8 Ų49.844%0.44329%0.291SS..Hα-helixtrans-59.7-46.6176.400000111.9P349 A350 M356 R357P349-G353 PolarHBondContact O-N 3.25Å; A350-G353 PolarHBondContact O-N 3.28Å; G353-M356 PolarHBondContact O-N 3.32Å; G353-R357 WeakPolarHBondContact O-CB 3.22Å; G353-R357 PolarHBondContact O-N 3.48Å
354E96.6Very high91Very high36 Ų3649.5 Ų49.517%0.16828%0.283CS..Hα-helixtrans-67.9-41.6178.7-172.252.9-146.800112.2K319 I320 A350 V351 M356 R357 I358K319-E354 HydrophobicContact CB-CG 4.27Å; K319-E354 HydrophobicContact CG-CG 4.27Å; K319-E354 WeakPolarHBondContact CG-OE1 3.23Å; I320-E354 HydrophobicContact CD1-CB 4.12Å; I320-E354 HydrophobicContact CD1-CG 4.33Å; I320-E354 HydrophobicContact CG1-CB 4.1Å; I320-E354 HydrophobicContact CG1-CG 3.79Å; A350-E354 WeakPolarHBondContact O-CB 3.15Å; A350-E354 PolarHBondContact O-N 2.9Å; V351-E354 PolarHBondContact O-N 3.43Å; E354-M356 VanDerWaalsContact C-N 3.34Å; E354-M356 PolarHBondContact O-N 3.47Å; E354-R357 VanDerWaalsContact CD-NE 3.34Å; E354-R357 WeakPolarHBondContact O-CB 3.35Å; E354-R357 PolarHBondContact O-N 3.33Å; E354-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 IonicContact OE1-CZ 3.17Å; E354-R357 IonicContact OE1-NE 3.88Å; E354-R357 PolarHBondContact OE1-NE 3.31Å; E354-R357 VanDerWaalsContact OE1-NE 3.17Å; E354-R357 IonicContact OE1-NH2 2.6Å; E354-R357 PolarHBondContact OE1-NH2 3.48Å; E354-R357 IonicContact OE2-CZ 3.48Å; E354-R357 IonicContact OE2-NE 2.76Å; E354-R357 PolarHBondContact OE2-NE 3.4Å; E354-R357 IonicContact OE2-NH2 3.37Å; E354-R357 PolarHBondContact OE2-NH2 2.69Å; E354-I358 WeakPolarHBondContact O-CG2 3.4Å; E354-I358 PolarHBondContact O-N 2.96Å
355A96.6Very high91.1Very high0 Ų053.6 Ų53.60%030%0.302CS..Hα-helixtrans-57-44.6173.900000112.5Q312 I313 V351 L352 A359Q312-A355 HydrophobicContact CB-CB 4.4Å; Q312-A355 WeakPolarHBondContact O-CB 3.46Å; I313-A355 HydrophobicContact CD1-CB 3.99Å; V351-A355 VanDerWaalsContact O-CB 3.31Å; V351-A355 WeakPolarHBondContact O-CB 3.24Å; V351-A355 PolarHBondContact O-N 2.87Å; L352-A355 PolarHBondContact O-N 3.24Å; A355-A359 PolarHBondContact O-N 3.33Å
356M94.6Very high91.2Very high49 Ų4955.9 Ų55.924%0.24132%0.317CS..Hα-helixtrans-71.1-33.3177-65.4-64.1138.200112.1L113 L301 L352 G353 E354 G360L113-M356 HydrophobicContact CD2-CE 4.32Å; L113-M356 HydrophobicContact CD2-CG 4.23Å; L113-M356 HydrophobicContact CD2-SD 4.07Å; L301-M356 HydrophobicContact CD1-CE 4.12Å; L352-M356 VanDerWaalsContact O-CG 3.24Å; L352-M356 WeakPolarHBondContact O-CG 3.28Å; L352-M356 PolarHBondContact O-N 2.96Å; G353-M356 PolarHBondContact O-N 3.32Å; E354-M356 VanDerWaalsContact C-N 3.34Å; E354-M356 PolarHBondContact O-N 3.47Å; M356-G360 WeakPolarHBondContact O-CA 3.48Å; M356-G360 PolarHBondContact O-N 3.45Å
357R96.1Very high91.9Very high160 Ų16051.3 Ų51.360%0.60430%0.297SS*.Hα-helixtrans-65.9-45.5176.9-170.3-174.572.180.5-7.2111.9G353 E354G353-R357 WeakPolarHBondContact O-CB 3.22Å; G353-R357 PolarHBondContact O-N 3.48Å; E354-R357 VanDerWaalsContact CD-NE 3.34Å; E354-R357 WeakPolarHBondContact O-CB 3.35Å; E354-R357 PolarHBondContact O-N 3.33Å; E354-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 IonicContact OE1-CZ 3.17Å; E354-R357 IonicContact OE1-NE 3.88Å; E354-R357 PolarHBondContact OE1-NE 3.31Å; E354-R357 VanDerWaalsContact OE1-NE 3.17Å; E354-R357 IonicContact OE1-NH2 2.6Å; E354-R357 PolarHBondContact OE1-NH2 3.48Å; E354-R357 IonicContact OE2-CZ 3.48Å; E354-R357 IonicContact OE2-NE 2.76Å; E354-R357 PolarHBondContact OE2-NE 3.4Å; E354-R357 IonicContact OE2-NH2 3.37Å; E354-R357 PolarHBondContact OE2-NH2 2.69Å
358I95.9Very high92Very high23 Ų2350.1 Ų50.112%0.11829%0.289CS..Hα-helixtrans-81.5-44.8-176.4-166169.7000112.4Y259 L260 L315 K319 E354Y259-I358 HydrophobicContact CD1-CG1 3.93Å; Y259-I358 VanDerWaalsContact CD1-O 3.25Å; Y259-I358 WeakPolarHBondContact CD1-O 3.49Å; Y259-I358 WeakPolarHBondContact CE1-O 3.36Å; Y259-I358 HydrophobicContact CG-CG1 4.47Å; L260-I358 HydrophobicContact CD2-CD1 3.55Å; L260-I358 HydrophobicContact CG-CD1 4.11Å; L315-I358 HydrophobicContact CB-CG2 4.14Å; K319-I358 HydrophobicContact CB-CD1 3.92Å; K319-I358 HydrophobicContact CD-CD1 4.14Å; K319-I358 HydrophobicContact CG-CD1 3.95Å; E354-I358 WeakPolarHBondContact O-CG2 3.4Å; E354-I358 PolarHBondContact O-N 2.96Å
359A94.4Very high92Very high0 Ų052.8 Ų52.80%031%0.309CS..Hα-helixtrans-125.316-167.800000113.3Q312 L315 A355 T361 L362Q312-A359 HydrophobicContact CB-CB 4.28Å; Q312-A359 HydrophobicContact CG-CB 3.89Å; Q312-A359 WeakPolarHBondContact CG-O 3.34Å; Q312-A359 PolarHBondContact NE2-O 2.99Å; L315-A359 HydrophobicContact CD1-CB 3.86Å; A355-A359 PolarHBondContact O-N 3.33Å; A359-T361 PolarHBondContact O-N 2.86Å; A359-L362 WeakPolarHBondContact O-CB 3.28Å; A359-L362 PolarHBondContact O-N 2.92Å
360G90.2Very high92Very high40 Ų4049.4 Ų49.441%0.41229%0.285SS..THydrogen-bonded Turntrans-64.4-19.6-179.800000114.8M356M356-G360 WeakPolarHBondContact O-CA 3.48Å; M356-G360 PolarHBondContact O-N 3.45Å
361T90.9Very high92Very high124 Ų12447.6 Ų47.676%0.76127%0.268SS*.THydrogen-bonded Turntrans-87.2-6.9174.656.60000113.6A359 S363A359-T361 PolarHBondContact O-N 2.86Å; T361-S363 PolarHBondContact O-N 3.41Å; T361-S363 VanDerWaalsContact O-N 3.12Å
362L93.8Very high91.3Very high10 Ų1052.1 Ų52.15%0.05229%0.289CS..  trans-65.2112.9177.1-176.364000109.1L255 V308 F311 A359 T366L255-L362 HydrophobicContact CD1-CD2 3.95Å; L255-L362 HydrophobicContact CD2-CD1 4.04Å; V308-L362 HydrophobicContact CG2-CB 4.24Å; V308-L362 HydrophobicContact CG2-CD2 3.84Å; V308-L362 HydrophobicContact CG2-CG 3.78Å; V308-L362 WeakPolarHBondContact CG2-O 3.42Å; F311-L362 HydrophobicContact CB-CD2 3.88Å; A359-L362 WeakPolarHBondContact O-CB 3.28Å; A359-L362 PolarHBondContact O-N 2.92Å; L362-T366 HydrophobicContact CD1-CG2 4.36Å
363S90.4Very high90.9Very high45 Ų4556.4 Ų56.432%0.31531%0.307SS..  trans-93.4157.4178.8720000111.5T361 E365 T366 L367T361-S363 PolarHBondContact O-N 3.41Å; T361-S363 VanDerWaalsContact O-N 3.12Å; S363-E365 VanDerWaalsContact C-N 3.26Å; S363-E365 PolarHBondContact O-N 2.74Å; S363-T366 PolarHBondContact O-N 3.01Å; S363-T366 PolarHBondContact OG-N 3.49Å; S363-T366 PolarHBondContact OG-OG1 2.9Å; S363-T366 VanDerWaalsContact OG-OG1 3.12Å; S363-L367 WeakPolarHBondContact O-CB 3.49Å; S363-L367 PolarHBondContact O-N 3.22Å; S363-L367 VanDerWaalsContact O-N 3.12Å
364Q86.5Confident90.3Very high59 Ų5955.5 Ų55.528%0.27629%0.291SS..Hα-helixtrans-59.7-37.2172.2-75.8-73.38.700111.9Q305 V308 L367 E368Q305-Q364 PolarHBondContact O-NE2 3.13Å; V308-Q364 HydrophobicContact CB-CG 4.44Å; V308-Q364 HydrophobicContact CG1-CG 4.45Å; Q364-L367 PolarHBondContact O-N 3.48Å; Q364-E368 WeakPolarHBondContact O-CB 3.44Å; Q364-E368 WeakPolarHBondContact O-CG 3.04Å; Q364-E368 PolarHBondContact O-N 3.01Å
365E87.5Confident89.4Confident159 Ų15954.5 Ų54.574%0.74329%0.287SS*.Hα-helixtrans-61.7-47.4179.2-64.1178.6175.200112.3S363 L367 E368 A369S363-E365 VanDerWaalsContact C-N 3.26Å; S363-E365 PolarHBondContact O-N 2.74Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-L367 PolarHBondContact O-N 3.4Å; E365-E368 PolarHBondContact O-N 3.37Å; E365-A369 PolarHBondContact O-N 3.21Å
366T90.1Very high88.1Confident63 Ų6357.3 Ų57.339%0.38731%0.31SS..Hα-helixtrans-61.6-43.6176.3-59.90000110.5L362 S363 E368 A369 H370L362-T366 HydrophobicContact CD1-CG2 4.36Å; S363-T366 PolarHBondContact O-N 3.01Å; S363-T366 PolarHBondContact OG-N 3.49Å; S363-T366 PolarHBondContact OG-OG1 2.9Å; S363-T366 VanDerWaalsContact OG-OG1 3.12Å; T366-E368 PolarHBondContact O-N 3.19Å; T366-A369 PolarHBondContact O-N 2.66Å; T366-H370 PolarHBondContact O-CD2 3.34Å; T366-H370 PolarHBondContact O-N 3.25Å; T366-H370 VanDerWaalsContact O-N 3.07Å
367L93.4Very high87.2Confident0 Ų060.8 Ų60.80%032%0.321CS..Hα-helixtrans-63.4-42.3179.2-170.669000112V251 L255 V308 F311 S363 Q364 E365 H370 R371V251-L367 HydrophobicContact CG1-CD1 3.57Å; L255-L367 HydrophobicContact CD1-CD1 4.37Å; V308-L367 HydrophobicContact CB-CD2 4.1Å; V308-L367 HydrophobicContact CG2-CD2 4.31Å; F311-L367 HydrophobicContact CD1-CD1 4.23Å; F311-L367 HydrophobicContact CD2-CD1 3.7Å; F311-L367 HydrophobicContact CD2-CD2 3.76Å; F311-L367 HydrophobicContact CD2-CG 4.37Å; F311-L367 HydrophobicContact CE1-CD1 4.1Å; F311-L367 HydrophobicContact CE2-CD1 3.6Å; F311-L367 HydrophobicContact CE2-CD2 3.7Å; F311-L367 HydrophobicContact CE2-CG 4.14Å; F311-L367 HydrophobicContact CG-CD1 4.01Å; F311-L367 HydrophobicContact CZ-CD1 3.77Å; S363-L367 WeakPolarHBondContact O-CB 3.49Å; S363-L367 PolarHBondContact O-N 3.22Å; S363-L367 VanDerWaalsContact O-N 3.12Å; Q364-L367 PolarHBondContact O-N 3.48Å; E365-L367 VanDerWaalsContact C-N 3.3Å; E365-L367 PolarHBondContact O-N 3.4Å; L367-H370 PolarHBondContact O-N 3.46Å; L367-R371 WeakPolarHBondContact O-CG 3.43Å; L367-R371 PolarHBondContact O-N 2.79Å
368E87.1Confident86.1Confident71 Ų7153.5 Ų53.533%0.33229%0.294SS..Hα-helixtrans-63.2-41.7175-74.6-173.2159.400111.8Q364 E365 T366 H370 R371 H372 R407Q364-E368 WeakPolarHBondContact O-CB 3.44Å; Q364-E368 WeakPolarHBondContact O-CG 3.04Å; Q364-E368 PolarHBondContact O-N 3.01Å; E365-E368 PolarHBondContact O-N 3.37Å; T366-E368 PolarHBondContact O-N 3.19Å; E368-H370 VanDerWaalsContact C-N 3.33Å; E368-H370 PolarHBondContact O-N 3Å; E368-R371 PolarHBondContact O-N 3.05Å; E368-H372 PolarHBondContact O-N 2.87Å; E368-H372 PolarHBondContact O-ND1 2.95Å; E368-R407 IonicContact OE1-NH1 2.74Å; E368-R407 PolarHBondContact OE1-NH1 2.97Å
369A84.6Confident84.8Confident63 Ų6353.4 Ų53.452%0.52129%0.294SS..Hα-helixtrans-59.1-44.3175.200000111.8E365 T366 H372 K373E365-A369 PolarHBondContact O-N 3.21Å; T366-A369 PolarHBondContact O-N 2.66Å; A369-H372 PolarHBondContact O-N 3.37Å; A369-K373 PolarHBondContact O-N 2.71Å; A369-K373 VanDerWaalsContact O-N 3.13Å
370H89.7Confident83.5Confident30 Ų3057.3 Ų57.314%0.13932%0.315CS..Hα-helixtrans-63.6-41.8174.6-71.3-66.2000112.4V251 Q254 T366 L367 E368 K373 H374V251-H370 HydrophobicContact CB-CB 4.46Å; V251-H370 HydrophobicContact CG1-CB 3.84Å; V251-H370 HydrophobicContact CG2-CB 3.93Å; Q254-H370 VanDerWaalsContact CD-CE1 3.46Å; Q254-H370 VanDerWaalsContact CD-ND1 3.3Å; Q254-H370 PolarHBondContact NE2-CE1 3.42Å; Q254-H370 PolarHBondContact NE2-ND1 2.89Å; Q254-H370 PolarHBondContact OE1-ND1 3.22Å; T366-H370 PolarHBondContact O-CD2 3.34Å; T366-H370 PolarHBondContact O-N 3.25Å; T366-H370 VanDerWaalsContact O-N 3.07Å; L367-H370 PolarHBondContact O-N 3.46Å; E368-H370 VanDerWaalsContact C-N 3.33Å; E368-H370 PolarHBondContact O-N 3Å; H370-K373 PolarHBondContact O-N 2.63Å; H370-H374 PolarHBondContact O-CD2 2.9Å; H370-H374 PolarHBondContact O-N 3.41Å
371R90.1Very high82.3Confident10 Ų1059 Ų594%0.03831%0.312CS..Hα-helixtrans-60-46.9176.9-75.7168.2171157.2-7.9111.9T247 D248 V251 S307 L367 E368 K373 H374 L375T247-R371 HydrophobicContact CG2-CB 4.06Å; T247-R371 HydrophobicContact CG2-CG 4.2Å; T247-R371 VanDerWaalsContact CG2-O 3.31Å; T247-R371 WeakPolarHBondContact CG2-O 3.23Å; D248-R371 IonicContact OD1-CZ 3.86Å; D248-R371 IonicContact OD1-NE 3.61Å; D248-R371 PolarHBondContact OD1-NE 3.19Å; D248-R371 IonicContact OD1-NH2 2.67Å; D248-R371 PolarHBondContact OD1-NH2 2.97Å; D248-R371 IonicContact OD2-CZ 3.25Å; D248-R371 IonicContact OD2-NE 3.8Å; D248-R371 IonicContact OD2-NH2 2.97Å; D248-R371 PolarHBondContact OD2-NH2 3.32Å; D248-R371 VanDerWaalsContact OD2-NH2 3.14Å; V251-R371 HydrophobicContact CG2-CG 3.97Å; S307-R371 PolarHBondContact OG-NH1 2.64Å; S307-R371 PolarHBondContact OG-NH2 3.23Å; L367-R371 WeakPolarHBondContact O-CG 3.43Å; L367-R371 PolarHBondContact O-N 2.79Å; E368-R371 PolarHBondContact O-N 3.05Å; R371-K373 VanDerWaalsContact C-N 3.32Å; R371-K373 PolarHBondContact O-N 3.45Å; R371-H374 PolarHBondContact O-N 3.09Å; R371-L375 WeakPolarHBondContact O-CB 3.43Å; R371-L375 PolarHBondContact O-N 2.98Å
372H80.5Confident80.9Confident97 Ų9755.6 Ų55.645%0.44929%0.287SS..Hα-helixtrans-60.2-44.2177.8-72.892.4000111.6E368 A369 A376 Q404E368-H372 PolarHBondContact O-N 2.87Å; E368-H372 PolarHBondContact O-ND1 2.95Å; A369-H372 PolarHBondContact O-N 3.37Å; H372-A376 PolarHBondContact O-N 3.38Å; H372-Q404 PolarHBondContact NE2-NE2 3.22Å
373K84Confident78.8Confident102 Ų10256.7 Ų56.744%0.44330%0.298SS..Hα-helixtrans-60.1-52.8176.8177178.5176.7-178.90111.9A369 H370 R371 A376 Y377A369-K373 PolarHBondContact O-N 2.71Å; A369-K373 VanDerWaalsContact O-N 3.13Å; H370-K373 PolarHBondContact O-N 2.63Å; R371-K373 VanDerWaalsContact C-N 3.32Å; R371-K373 PolarHBondContact O-N 3.45Å; K373-A376 PolarHBondContact O-N 3.5Å; K373-Y377 HydrophobicContact CD-CE2 4.24Å; K373-Y377 HydrophobicContact CG-CD2 4.07Å; K373-Y377 HydrophobicContact CG-CE2 3.58Å; K373-Y377 WeakPolarHBondContact O-CD2 3.5Å; K373-Y377 PolarHBondContact O-N 3.35Å
374H83.1Confident76.8Confident24 Ų2460.7 Ų60.711%0.11131%0.311CS..Hα-helixtrans-72.1-33.8-175.5-75.2-61.3000113.4T247 R250 V251 Q254 H370 R371 A376 Y377 I378T247-H374 HydrophobicContact CG2-CB 4.16Å; R250-H374 HydrophobicContact CB-CB 3.93Å; V251-H374 HydrophobicContact CG2-CB 4.42Å; Q254-H374 PolarHBondContact OE1-NE2 3.38Å; H370-H374 PolarHBondContact O-CD2 2.9Å; H370-H374 PolarHBondContact O-N 3.41Å; R371-H374 PolarHBondContact O-N 3.09Å; H374-A376 VanDerWaalsContact C-N 3.32Å; H374-A376 PolarHBondContact O-N 2.84Å; H374-Y377 PolarHBondContact O-N 3.39Å; H374-I378 WeakPolarHBondContact O-CG1 3.45Å; H374-I378 PolarHBondContact O-N 2.98Å
375L77.1Confident75Confident15 Ų1564.8 Ų64.88%0.07934%0.335CS..Hα-helixtrans-59.3-45.6172.5177.860.3000110.8L243 T247 R371 Y377 I378 L379 V400L243-L375 HydrophobicContact CD1-CD1 4.09Å; L243-L375 HydrophobicContact CD2-CD1 3.41Å; L243-L375 VanDerWaalsContact CD2-CD1 3.41Å; L243-L375 HydrophobicContact CG-CD1 3.55Å; T247-L375 HydrophobicContact CG2-CB 4.05Å; R371-L375 WeakPolarHBondContact O-CB 3.43Å; R371-L375 PolarHBondContact O-N 2.98Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 3.01Å; L375-I378 PolarHBondContact O-N 3.3Å; L375-L379 HydrophobicContact CD1-CD1 3.92Å; L375-L379 HydrophobicContact CD1-CG 4.24Å; L375-L379 HydrophobicContact CG-CD1 3.84Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 WeakPolarHBondContact O-CD1 3.17Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.4Å; L375-L379 PolarHBondContact O-N 3.04Å; L375-V400 HydrophobicContact CD1-CG1 4.32Å; L375-V400 HydrophobicContact CD2-CG1 3.73Å
376A70.5Confident72.9Confident59 Ų5960.5 Ų60.549%0.48832%0.317SS..Hα-helixtrans-60.4-39.2176.700000112.3H372 K373 H374 N380H372-A376 PolarHBondContact O-N 3.38Å; K373-A376 PolarHBondContact O-N 3.5Å; H374-A376 VanDerWaalsContact C-N 3.32Å; H374-A376 PolarHBondContact O-N 2.84Å; A376-N380 WeakPolarHBondContact O-CB 3.39Å; A376-N380 PolarHBondContact O-N 3.08Å
377Y74.6Confident70.6Confident123 Ų12364.9 Ų64.948%0.48234%0.338SS..Hα-helixtrans-65.1-48.4175.1-75.3-62.8000112.8K373 H374 L375 L379 N380 E381K373-Y377 HydrophobicContact CD-CE2 4.24Å; K373-Y377 HydrophobicContact CG-CD2 4.07Å; K373-Y377 HydrophobicContact CG-CE2 3.58Å; K373-Y377 WeakPolarHBondContact O-CD2 3.5Å; K373-Y377 PolarHBondContact O-N 3.35Å; H374-Y377 PolarHBondContact O-N 3.39Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 3.01Å; Y377-L379 VanDerWaalsContact C-N 3.27Å; Y377-L379 PolarHBondContact O-N 3.43Å; Y377-N380 PolarHBondContact O-N 3.09Å; Y377-N380 VanDerWaalsContact O-N 3.13Å; Y377-E381 PolarHBondContact O-N 2.83Å
378I73.1Confident68Low6 Ų668.1 Ų68.13%0.03137%0.371CS..Hα-helixtrans-59.7-42.9179.9-66.1166.1000110.2L243 Q246 R250 H374 L375 N380 E381 Q382L243-I378 HydrophobicContact CD1-CB 4.29Å; L243-I378 HydrophobicContact CD1-CG2 3.51Å; Q246-I378 HydrophobicContact CB-CD1 4.24Å; R250-I378 HydrophobicContact CG-CD1 4.07Å; R250-I378 HydrophobicContact CG-CG1 4.38Å; H374-I378 WeakPolarHBondContact O-CG1 3.45Å; H374-I378 PolarHBondContact O-N 2.98Å; L375-I378 PolarHBondContact O-N 3.3Å; I378-N380 VanDerWaalsContact C-N 3.34Å; I378-N380 PolarHBondContact O-N 3.05Å; I378-E381 PolarHBondContact O-N 3.22Å; I378-Q382 HydrophobicContact CG2-CG 4.36Å; I378-Q382 WeakPolarHBondContact O-CB 3.42Å; I378-Q382 VanDerWaalsContact O-CG 3.28Å; I378-Q382 WeakPolarHBondContact O-CG 3.36Å; I378-Q382 PolarHBondContact O-N 2.79Å
379L69.4Low65.7Low21 Ų2169.7 Ų69.711%0.1138%0.382CS..Hα-helixtrans-63.5-40.1177.6-71164.1000112L243 L375 Y377 A383 L397L243-L379 HydrophobicContact CD2-CD2 3.98Å; L243-L379 HydrophobicContact CD2-CG 4.47Å; L375-L379 HydrophobicContact CD1-CD1 3.92Å; L375-L379 HydrophobicContact CD1-CG 4.24Å; L375-L379 HydrophobicContact CG-CD1 3.84Å; L375-L379 WeakPolarHBondContact O-CB 3.4Å; L375-L379 WeakPolarHBondContact O-CD1 3.17Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.4Å; L375-L379 PolarHBondContact O-N 3.04Å; Y377-L379 VanDerWaalsContact C-N 3.27Å; Y377-L379 PolarHBondContact O-N 3.43Å; L379-A383 WeakPolarHBondContact O-CB 3.18Å; L379-A383 PolarHBondContact O-N 3.33Å; L379-L397 HydrophobicContact CD1-CD1 3.33Å; L379-L397 HydrophobicContact CD2-CD1 3.99Å; L379-L397 HydrophobicContact CG-CD1 4.18Å
380N66.3Low63.5Low83 Ų8371.2 Ų71.244%0.44438%0.381SS..Hα-helixtrans-69-41.3175.5-176.869.8000112.5A376 Y377 I378 A383 Q384A376-N380 WeakPolarHBondContact O-CB 3.39Å; A376-N380 PolarHBondContact O-N 3.08Å; Y377-N380 PolarHBondContact O-N 3.09Å; Y377-N380 VanDerWaalsContact O-N 3.13Å; I378-N380 VanDerWaalsContact C-N 3.34Å; I378-N380 PolarHBondContact O-N 3.05Å; N380-A383 WeakPolarHBondContact O-CB 3.34Å; N380-A383 PolarHBondContact O-N 2.57Å; N380-Q384 PolarHBondContact ND2-NE2 3.27Å; N380-Q384 VanDerWaalsContact ND2-NE2 3.12Å; N380-Q384 WeakPolarHBondContact O-CG 3.47Å; N380-Q384 PolarHBondContact O-N 3.32Å
381E65.8Low61.1Low75 Ų7573.1 Ų73.135%0.3540%0.398SS..Hα-helixtrans-59.9-45.5173.8-77177.3-173.700111R250 Y377 I378 A383 Q384 L385R250-E381 IonicContact CZ-OE1 3.47Å; R250-E381 IonicContact CZ-OE2 2.7Å; R250-E381 IonicContact NH1-OE1 2.86Å; R250-E381 PolarHBondContact NH1-OE1 3.06Å; R250-E381 VanDerWaalsContact NH1-OE1 3.07Å; R250-E381 IonicContact NH1-OE2 3.47Å; R250-E381 IonicContact NH2-OE1 3.93Å; R250-E381 IonicContact NH2-OE2 3.45Å; R250-E381 PolarHBondContact NH2-OE2 3.22Å; Y377-E381 PolarHBondContact O-N 2.83Å; I378-E381 PolarHBondContact O-N 3.22Å; E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 3.25Å; E381-Q384 PolarHBondContact O-N 3.26Å; E381-L385 WeakPolarHBondContact O-CG 3.28Å; E381-L385 PolarHBondContact O-N 2.72Å
382Q61.1Low58.7Low52 Ų5276.6 Ų76.624%0.24342%0.421CS..Hα-helixtrans-66.6-28.5176.3-71.5177.9-7.800112.8I378 N386 L393I378-Q382 HydrophobicContact CG2-CG 4.36Å; I378-Q382 WeakPolarHBondContact O-CB 3.42Å; I378-Q382 VanDerWaalsContact O-CG 3.28Å; I378-Q382 WeakPolarHBondContact O-CG 3.36Å; I378-Q382 PolarHBondContact O-N 2.79Å; Q382-N386 VanDerWaalsContact O-CB 3.28Å; Q382-N386 WeakPolarHBondContact O-CB 3.42Å; Q382-N386 VanDerWaalsContact O-CG 3.32Å; Q382-N386 PolarHBondContact O-N 3.49Å; Q382-N386 PolarHBondContact O-ND2 2.97Å; Q382-L393 HydrophobicContact CB-CD1 3.44Å; Q382-L393 VanDerWaalsContact CB-CD1 3.44Å
383A49.4Very low56.7Low33 Ų3373.3 Ų73.327%0.27341%0.406SS..Hα-helixtrans-69-41.9171.500000112L379 N380 E381 L393L379-A383 WeakPolarHBondContact O-CB 3.18Å; L379-A383 PolarHBondContact O-N 3.33Å; N380-A383 WeakPolarHBondContact O-CB 3.34Å; N380-A383 PolarHBondContact O-N 2.57Å; E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 3.25Å; A383-L393 HydrophobicContact CB-CD2 3.48Å; A383-L393 VanDerWaalsContact CB-CD2 3.48Å
384Q48.5Very low54.5Low129 Ų12969.5 Ų69.560%0.60339%0.392SS*.Hα-helixtrans-73.2-35.9-178-69.4-179.44.700113.1N380 E381N380-Q384 PolarHBondContact ND2-NE2 3.27Å; N380-Q384 VanDerWaalsContact ND2-NE2 3.12Å; N380-Q384 WeakPolarHBondContact O-CG 3.47Å; N380-Q384 PolarHBondContact O-N 3.32Å; E381-Q384 PolarHBondContact O-N 3.26Å
385L48.1Very low52.5Low146 Ų14671.9 Ų71.976%0.76441%0.409SS*.Hα-helixtrans-73.2-27.9176.5-72165.7000112.7E381 N387E381-L385 WeakPolarHBondContact O-CG 3.28Å; E381-L385 PolarHBondContact O-N 2.72Å; L385-N387 VanDerWaalsContact C-N 3.28Å; L385-N387 PolarHBondContact O-N 2.91Å
386N45.2Very low50.6Low68 Ų6873 Ų7336%0.36442%0.415SS..THydrogen-bonded Turntrans-90.946.1180-73.1-40.9000113.1Q382 G388 N389Q382-N386 VanDerWaalsContact O-CB 3.28Å; Q382-N386 WeakPolarHBondContact O-CB 3.42Å; Q382-N386 VanDerWaalsContact O-CG 3.32Å; Q382-N386 PolarHBondContact O-N 3.49Å; Q382-N386 PolarHBondContact O-ND2 2.97Å; N386-G388 PolarHBondContact O-N 3.42Å; N386-N389 PolarHBondContact O-N 3Å; N386-N389 VanDerWaalsContact O-N 3.08Å
387N40.7Very low49Very low156 Ų15673.5 Ų73.583%0.83441%0.409SS*.THydrogen-bonded Turntrans-64.825.3176.7-119.93.7000114.7L385L385-N387 VanDerWaalsContact C-N 3.28Å; L385-N387 PolarHBondContact O-N 2.91Å
388G40Very low47.3Very low68 Ų6871.9 Ų71.970%0.70141%0.409SS*.THydrogen-bonded Turntrans-154.94.2172.800000115N386N386-G388 PolarHBondContact O-N 3.42Å
389N39Very low45.7Very low103 Ų10375.3 Ų75.355%0.55142%0.423SS*.  trans-152.377.8178.3-95-21.1000112.2N386 S391N386-N389 PolarHBondContact O-N 3Å; N386-N389 VanDerWaalsContact O-N 3.08Å; N389-S391 VanDerWaalsContact C-N 3.25Å; N389-S391 PolarHBondContact O-N 3.4Å
390N38.3Very low44.3Very low95 Ų9574.5 Ų74.551%0.50842%0.419SS..THydrogen-bonded Turntrans-78.44177.6-77.2-22.1000114.6R445N390-R445 PolarHBondContact O-NH1 3.5Å; N390-R445 VanDerWaalsContact O-NH1 3.15Å; N390-R445 PolarHBondContact O-NH2 2.98Å
391S39.4Very low42.8Very low70 Ų7073.1 Ų73.149%0.4941%0.414SS..Hα-helixtrans-85-33.5-176.860.20000113.7N389 T395N389-S391 VanDerWaalsContact C-N 3.25Å; N389-S391 PolarHBondContact O-N 3.4Å; S391-T395 PolarHBondContact O-OG1 3.3Å; S391-T395 VanDerWaalsContact O-OG1 3.1Å
392T37.9Very low41.3Very low84 Ų8477.7 Ų77.752%0.51543%0.428SS..Hα-helixtrans-81.6-21.5-175.6-24.70000113N396T392-N396 PolarHBondContact O-ND2 3.02Å
393L38.8Very low40.3Very low28 Ų2877.9 Ų77.915%0.14743%0.426CS..Hα-helixtrans-82.2-41.9-173.8-159.281000113.4Q382 A383 T395 N396 L397Q382-L393 HydrophobicContact CB-CD1 3.44Å; Q382-L393 VanDerWaalsContact CB-CD1 3.44Å; A383-L393 HydrophobicContact CB-CD2 3.48Å; A383-L393 VanDerWaalsContact CB-CD2 3.48Å; L393-T395 VanDerWaalsContact C-N 3.3Å; L393-T395 PolarHBondContact O-N 3.43Å; L393-N396 PolarHBondContact O-N 3.06Å; L393-L397 PolarHBondContact O-N 3.01Å
394S39.1Very low39.6Very low21 Ų2178.9 Ų78.915%0.14743%0.425CS..Hα-helixtrans-68.6-30.2178.960.60000112.3N396 N398 R445S394-N396 VanDerWaalsContact C-N 3.34Å; S394-N396 PolarHBondContact O-N 3.32Å; S394-N398 WeakPolarHBondContact O-CB 3.47Å; S394-N398 PolarHBondContact O-N 3.12Å; S394-N398 PolarHBondContact O-ND2 3.09Å; S394-R445 PolarHBondContact OG-NH2 3.14Å
395T39.5Very low38.9Very low75 Ų7576 Ų7646%0.4642%0.419SS..Hα-helixtrans-66.2-34.9174.2-47.90000112.1S391 L393 K399S391-T395 PolarHBondContact O-OG1 3.3Å; S391-T395 VanDerWaalsContact O-OG1 3.1Å; L393-T395 VanDerWaalsContact C-N 3.3Å; L393-T395 PolarHBondContact O-N 3.43Å; T395-K399 VanDerWaalsContact O-CG 3.29Å; T395-K399 WeakPolarHBondContact O-CG 3.21Å; T395-K399 PolarHBondContact O-N 3.14Å
396N37.8Very low38.4Very low38 Ų3872 Ų7220%0.20340%0.398CS..Hα-helixtrans-80.3-37.7176.8-75.9-53.1000112.4T241 T392 L393 S394 K399 V400T241-N396 WeakPolarHBondContact CG2-OD1 3.17Å; T392-N396 PolarHBondContact O-ND2 3.02Å; L393-N396 PolarHBondContact O-N 3.06Å; S394-N396 VanDerWaalsContact C-N 3.34Å; S394-N396 PolarHBondContact O-N 3.32Å; N396-K399 PolarHBondContact O-N 2.87Å; N396-V400 WeakPolarHBondContact O-CG2 3.24Å; N396-V400 PolarHBondContact O-N 2.9Å
397L37.6Very low38Very low70 Ų7071.8 Ų71.837%0.36639%0.392SS..Hα-helixtrans-59.5-46.8174-169.969.2000111.7L379 L393 K399 V400 V401L379-L397 HydrophobicContact CD1-CD1 3.33Å; L379-L397 HydrophobicContact CD2-CD1 3.99Å; L379-L397 HydrophobicContact CG-CD1 4.18Å; L393-L397 PolarHBondContact O-N 3.01Å; L397-K399 VanDerWaalsContact C-N 3.29Å; L397-K399 PolarHBondContact O-N 3.03Å; L397-V400 PolarHBondContact O-N 3.46Å; L397-V401 WeakPolarHBondContact O-CG2 3.11Å; L397-V401 PolarHBondContact O-N 2.91Å
398N38.1Very low37.8Very low89 Ų8975.7 Ų75.748%0.47640%0.395SS..Hα-helixtrans-68.7-22.9177.3-74.7-31000113.3S394 R402S394-N398 WeakPolarHBondContact O-CB 3.47Å; S394-N398 PolarHBondContact O-N 3.12Å; S394-N398 PolarHBondContact O-ND2 3.09Å; N398-R402 WeakPolarHBondContact O-CB 3.3Å; N398-R402 PolarHBondContact O-N 3.35Å
399K40.2Very low37.6Very low77 Ų7775.8 Ų75.834%0.33538%0.376SS..Hα-helixtrans-79.7-34.9173.2-75.9-179.6-173.3-163.20112.5D198 T395 N396 L397 R403D198-K399 WeakPolarHBondContact OD1-CE 3.42Å; D198-K399 IonicContact OD1-NZ 3.47Å; D198-K399 PolarHBondContact OD1-NZ 3.4Å; T395-K399 VanDerWaalsContact O-CG 3.29Å; T395-K399 WeakPolarHBondContact O-CG 3.21Å; T395-K399 PolarHBondContact O-N 3.14Å; N396-K399 PolarHBondContact O-N 2.87Å; L397-K399 VanDerWaalsContact C-N 3.29Å; L397-K399 PolarHBondContact O-N 3.03Å; K399-R403 WeakPolarHBondContact O-CG 3.2Å; K399-R403 PolarHBondContact O-N 3.12Å
400V39.3Very low37.6Very low5 Ų572.8 Ų72.83%0.0336%0.364CS..Hα-helixtrans-79.7-44-176.8176.20000111.5S236 L243 L375 N396 L397 R403 Q404S236-V400 WeakPolarHBondContact OG-CG2 3.24Å; L243-V400 HydrophobicContact CD2-CG1 4.45Å; L243-V400 HydrophobicContact CD2-CG2 3.67Å; L375-V400 HydrophobicContact CD1-CG1 4.32Å; L375-V400 HydrophobicContact CD2-CG1 3.73Å; N396-V400 WeakPolarHBondContact O-CG2 3.24Å; N396-V400 PolarHBondContact O-N 2.9Å; L397-V400 PolarHBondContact O-N 3.46Å; V400-R403 PolarHBondContact O-N 3.37Å; V400-Q404 PolarHBondContact O-N 2.95Å
401V35.4Very low37.6Very low54 Ų5472.2 Ų72.233%0.32736%0.364SS..Hα-helixtrans-68.5-39.6176.2177.10000111.2L397 R403 Q404 S405L397-V401 WeakPolarHBondContact O-CG2 3.11Å; L397-V401 PolarHBondContact O-N 2.91Å; V401-R403 PolarHBondContact O-N 3.24Å; V401-Q404 PolarHBondContact O-N 3.47Å; V401-S405 PolarHBondContact O-N 3.11Å; V401-S405 VanDerWaalsContact O-N 3.09Å
402R34.4Very low37.6Very low171 Ų17171.8 Ų71.865%0.64536%0.356SS*.Hα-helixtrans-59.6-31.9173.4-172.4176.6-176.6179.80.5112.3N398 L406N398-R402 WeakPolarHBondContact O-CB 3.3Å; N398-R402 PolarHBondContact O-N 3.35Å; R402-L406 VanDerWaalsContact O-CD1 3.24Å; R402-L406 WeakPolarHBondContact O-CD1 3.28Å; R402-L406 VanDerWaalsContact O-CG 3.28Å; R402-L406 WeakPolarHBondContact O-CG 3.28Å; R402-L406 PolarHBondContact O-N 3.32Å
403R39Very low37.5Very low56 Ų5671.7 Ų71.721%0.21136%0.355CS..Hα-helixtrans-84.6-32.4175.8-77.7-175.2-177.1179.34.7114.3P235 K399 V400 V401 S405 L406 R407P235-R403 HydrophobicContact CB-CB 3.63Å; P235-R403 HydrophobicContact CG-CB 3.78Å; K399-R403 WeakPolarHBondContact O-CG 3.2Å; K399-R403 PolarHBondContact O-N 3.12Å; V400-R403 PolarHBondContact O-N 3.37Å; V401-R403 PolarHBondContact O-N 3.24Å; R403-S405 VanDerWaalsContact C-N 3.27Å; R403-S405 PolarHBondContact O-N 3.24Å; R403-L406 HydrophobicContact CG-CD1 4.44Å; R403-L406 CarbonylContact O-C 3.3Å; R403-L406 WeakPolarHBondContact O-CA 3.31Å; R403-L406 PolarHBondContact O-N 3.44Å; R403-L406 VanDerWaalsContact O-N 3.13Å; R403-R407 PolarHBondContact O-N 3.03Å
404Q35.3Very low37.4Very low53 Ų5374.8 Ų74.825%0.24838%0.379CS..Hα-helixtrans-64.4-32.6171-85.7-179.9-26.800112.2P235 H372 V400 V401 R407P235-Q404 HydrophobicContact CG-CG 4.18Å; H372-Q404 PolarHBondContact NE2-NE2 3.22Å; V400-Q404 PolarHBondContact O-N 2.95Å; V401-Q404 PolarHBondContact O-N 3.47Å; Q404-R407 WeakPolarHBondContact O-CB 3.39Å; Q404-R407 PolarHBondContact O-N 2.68Å
405S33.5Very low37.3Very low69 Ų6979 Ų7948%0.48340%0.399SS..Hα-helixtrans-69.2-34.4169.6-177.30000112.9V401 R403 R407V401-S405 PolarHBondContact O-N 3.11Å; V401-S405 VanDerWaalsContact O-N 3.09Å; R403-S405 VanDerWaalsContact C-N 3.27Å; R403-S405 PolarHBondContact O-N 3.24Å; S405-R407 VanDerWaalsContact C-N 3.31Å
406L38.8Very low37.3Very low61 Ų6180 Ų8032%0.31940%0.401SS..Hα-helixtrans-75.5-13.3173.6-72.5159.3000113.6R402 R403 R408 K409 T411R402-L406 VanDerWaalsContact O-CD1 3.24Å; R402-L406 WeakPolarHBondContact O-CD1 3.28Å; R402-L406 VanDerWaalsContact O-CG 3.28Å; R402-L406 WeakPolarHBondContact O-CG 3.28Å; R402-L406 PolarHBondContact O-N 3.32Å; R403-L406 HydrophobicContact CG-CD1 4.44Å; R403-L406 CarbonylContact O-C 3.3Å; R403-L406 WeakPolarHBondContact O-CA 3.31Å; R403-L406 PolarHBondContact O-N 3.44Å; R403-L406 VanDerWaalsContact O-N 3.13Å; L406-R408 PolarHBondContact O-N 3.09Å; L406-K409 WeakPolarHBondContact CD2-O 3.48Å; L406-K409 CarbonylContact O-C 3.57Å; L406-K409 VanDerWaalsContact O-C 3.28Å; L406-K409 PolarHBondContact O-N 2.75Å; L406-T411 HydrophobicContact CD2-CG2 4.16Å
407R37.1Very low37.2Very low65 Ų6586.1 Ų86.125%0.24543%0.427CS..THydrogen-bonded Turntrans-62.6-8.3175.9-128.7-177.3-175.3-153.8-0.2113.6L233 E368 R403 Q404 S405L233-R407 PolarHBondContact O-NH2 3.14Å; E368-R407 IonicContact OE1-NH1 2.74Å; E368-R407 PolarHBondContact OE1-NH1 2.97Å; R403-R407 PolarHBondContact O-N 3.03Å; Q404-R407 WeakPolarHBondContact O-CB 3.39Å; Q404-R407 PolarHBondContact O-N 2.68Å; S405-R407 VanDerWaalsContact C-N 3.31Å
408R35.9Very low37Very low237 Ų23786.8 Ų86.889%0.89445%0.45SS*.THydrogen-bonded Turntrans-114.84.3168.6-72.4-171.4178.3-169.9-0.1114.4L406L406-R408 PolarHBondContact O-N 3.09Å
409K34.9Very low36.8Very low70 Ų7087 Ų8730%0.30445%0.448SS..SBendtrans-145.5103.9-176.8-65.6-176.6-175.6173.50109.9L406 T411 E419 S427L406-K409 WeakPolarHBondContact CD2-O 3.48Å; L406-K409 CarbonylContact O-C 3.57Å; L406-K409 VanDerWaalsContact O-C 3.28Å; L406-K409 PolarHBondContact O-N 2.75Å; K409-T411 PolarHBondContact O-N 3.4Å; K409-E419 IonicContact NZ-OE1 3.84Å; K409-E419 PolarHBondContact NZ-OE1 3.27Å; K409-S427 PolarHBondContact NZ-OG 2.99Å
410S38.8Very low36.5Very low40 Ų4090 Ų9028%0.2847%0.468SS..  trans-50.5127.8160.81610000108.4L412 T413S410-L412 PolarHBondContact O-N 3.19Å; S410-L412 PolarHBondContact OG-N 3.33Å; S410-T413 WeakPolarHBondContact CB-OG1 3.36Å; S410-T413 PolarHBondContact O-N 2.91Å
411T39.3Very low36.2Very low84 Ų8498.2 Ų98.252%0.51551%0.506SS..THydrogen-bonded Turntrans-55.7-20.9-179.8-17.40000112.2L406 K409L406-T411 HydrophobicContact CD2-CG2 4.16Å; K409-T411 PolarHBondContact O-N 3.4Å
412L38.5Very low36Very low60 Ų6099 Ų9931%0.31452%0.519SS..THydrogen-bonded Turntrans-81-31.8174.3-87.2147.6000113.5E139 S410 L415E139-L412 HydrophobicContact CB-CD2 4.35Å; E139-L412 HydrophobicContact CG-CD2 3.96Å; S410-L412 PolarHBondContact O-N 3.19Å; S410-L412 PolarHBondContact OG-N 3.33Å; L412-L415 PolarHBondContact O-N 3Å
413T35.4Very low36Very low82 Ų8295.9 Ų95.950%0.50352%0.515SS..G310 helixtrans-73-32.3-179.3-38.70000112.3S410 L415 L416S410-T413 WeakPolarHBondContact CB-OG1 3.36Å; S410-T413 PolarHBondContact O-N 2.91Å; T413-L415 PolarHBondContact O-N 3.22Å; T413-L416 PolarHBondContact O-N 3.29Å
414S36.9Very low36.2Very low94 Ų9493.3 Ų93.366%0.65751%0.505SS*.G310 helixtrans-60.2-22.4175.8172.30000113.7
415L38.4Very low36.3Very low108 Ų10895.4 Ų95.457%0.56552%0.518SS*.G310 helixtrans-88.3-16.6-176.9-84158000114.1L412 T413L412-L415 PolarHBondContact O-N 3Å; T413-L415 PolarHBondContact O-N 3.22Å
416L38.1Very low36.6Very low97 Ų9798.8 Ų98.851%0.50852%0.524SS..THydrogen-bonded Turntrans-124.9-29-163.9-71.8169.5000116.6E139 T413E139-L416 WeakPolarHBondContact OE1-CD1 3.39Å; T413-L416 PolarHBondContact O-N 3.29Å
417F35.6Very low36.9Very low167 Ų16798 Ų9873%0.73252%0.524SS*.SBendtrans-135.4127.8-176.1-62.1-76.5000112.4
418G33.9Very low37.6Very low84 Ų8497.2 Ų97.287%0.86652%0.522SS*.PPolyproline II helixtrans-58.8142.8178.900000112.7
419E33.1Very low38.3Very low93 Ų9389.9 Ų89.944%0.43550%0.5SS..PPolyproline II helixtrans-74149.8-176.1-61.2176.4142.800113.3K409 E421 A424K409-E419 IonicContact NZ-OE1 3.84Å; K409-E419 PolarHBondContact NZ-OE1 3.27Å; E419-E421 PolarHBondContact O-N 3.01Å; E419-A424 HydrophobicContact CB-CB 3.63Å; E419-A424 HydrophobicContact CG-CB 4.43Å; E419-A424 WeakPolarHBondContact OE2-CA 3.4Å; E419-A424 WeakPolarHBondContact OE2-CB 3.44Å
420D34.3Very low39.2Very low139 Ų13991.3 Ų91.374%0.74351%0.51SS*.PPolyproline II helixtrans-57.1129.2162.6-100.9-34.6000111.1A422 D423 A424D420-A422 VanDerWaalsContact C-N 3.3Å; D420-A422 PolarHBondContact O-N 3.49Å; D420-A422 VanDerWaalsContact O-N 3.13Å; D420-D423 PolarHBondContact O-N 2.71Å; D420-A424 WeakPolarHBondContact O-CB 3.43Å; D420-A424 PolarHBondContact O-N 3.18Å
421E34.4Very low40.4Very low178 Ų17892.8 Ų92.883%0.83251%0.512SS*.Hα-helixtrans-58.5-32.4-164.8-110.6-177.6163.800115E419 L425E419-E421 PolarHBondContact O-N 3.01Å; E421-L425 WeakPolarHBondContact O-CB 3.48Å; E421-L425 PolarHBondContact O-N 2.97Å
422A30.9Very low41.5Very low72 Ų7290.6 Ų90.660%0.59550%0.496SS*.Hα-helixtrans-81.5-38.4-176.700000113.5D420 K426D420-A422 VanDerWaalsContact C-N 3.3Å; D420-A422 PolarHBondContact O-N 3.49Å; D420-A422 VanDerWaalsContact O-N 3.13Å; A422-K426 PolarHBondContact O-N 3Å
423D34.2Very low42.9Very low104 Ų10492.6 Ų92.656%0.55651%0.51SS*.Hα-helixtrans-82.3-27.6177.2-80.5-19.6000112D420 L425 S427D420-D423 PolarHBondContact O-N 2.71Å; D423-L425 VanDerWaalsContact C-N 3.34Å; D423-S427 WeakPolarHBondContact O-CB 3.2Å; D423-S427 PolarHBondContact O-N 3.13Å; D423-S427 PolarHBondContact O-OG 3.3Å
424A42.4Very low44.5Very low2 Ų291.2 Ų91.22%0.01750%0.498CS..Hα-helixtrans-57.7-46.8166.100000111E419 D420 S427 K428E419-A424 HydrophobicContact CB-CB 3.63Å; E419-A424 HydrophobicContact CG-CB 4.43Å; E419-A424 WeakPolarHBondContact OE2-CA 3.4Å; E419-A424 WeakPolarHBondContact OE2-CB 3.44Å; D420-A424 WeakPolarHBondContact O-CB 3.43Å; D420-A424 PolarHBondContact O-N 3.18Å; A424-S427 PolarHBondContact O-N 2.94Å; A424-K428 HydrophobicContact CB-CD 4.5Å; A424-K428 WeakPolarHBondContact O-CB 3.33Å; A424-K428 VanDerWaalsContact O-CD 3.23Å; A424-K428 WeakPolarHBondContact O-CD 3.39Å; A424-K428 WeakPolarHBondContact O-CG 3.39Å; A424-K428 PolarHBondContact O-N 3.31Å
425L37.6Very low46.3Very low97 Ų9787.7 Ų87.751%0.50847%0.472SS..Hα-helixtrans-67.9-39.8-176.4-160.667.7000112.2E421 D423 K428 N429E421-L425 WeakPolarHBondContact O-CB 3.48Å; E421-L425 PolarHBondContact O-N 2.97Å; D423-L425 VanDerWaalsContact C-N 3.34Å; L425-K428 PolarHBondContact O-N 2.81Å; L425-N429 WeakPolarHBondContact O-CB 3.48Å; L425-N429 PolarHBondContact O-N 2.99Å; L425-N429 PolarHBondContact O-ND2 3.39Å; L425-N429 PolarHBondContact O-OD1 3.17Å
426K39.7Very low48.1Very low141 Ų14182.9 Ų82.961%0.61345%0.447SS*.Hα-helixtrans-65.6-45.9173.3-73.2179-177.8171.30112.1A422 K428 N429 I430A422-K426 PolarHBondContact O-N 3Å; K426-K428 VanDerWaalsContact C-N 3.31Å; K426-K428 PolarHBondContact O-N 3.48Å; K426-N429 PolarHBondContact O-N 3.41Å; K426-I430 VanDerWaalsContact O-CG1 3.25Å; K426-I430 WeakPolarHBondContact O-CG1 3.25Å; K426-I430 PolarHBondContact O-N 3.45Å; K426-I430 VanDerWaalsContact O-N 3.08Å
427S44.9Very low49.7Very low45 Ų4581 Ų8132%0.31545%0.445SS..Hα-helixtrans-62.4-38176.9-58.30000112.2K409 D423 A424 K431K409-S427 PolarHBondContact NZ-OG 2.99Å; D423-S427 WeakPolarHBondContact O-CB 3.2Å; D423-S427 PolarHBondContact O-N 3.13Å; D423-S427 PolarHBondContact O-OG 3.3Å; A424-S427 PolarHBondContact O-N 2.94Å; S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 2.96Å
428K51.9Low51.4Low48 Ų4874.4 Ų74.421%0.20942%0.422CS..Hα-helixtrans-66.4-44.4176.6-74.9163.3-168171.60111.8A424 L425 K426 I430 K431 Q432 W692A424-K428 HydrophobicContact CB-CD 4.5Å; A424-K428 WeakPolarHBondContact O-CB 3.33Å; A424-K428 VanDerWaalsContact O-CD 3.23Å; A424-K428 WeakPolarHBondContact O-CD 3.39Å; A424-K428 WeakPolarHBondContact O-CG 3.39Å; A424-K428 PolarHBondContact O-N 3.31Å; L425-K428 PolarHBondContact O-N 2.81Å; K426-K428 VanDerWaalsContact C-N 3.31Å; K426-K428 PolarHBondContact O-N 3.48Å; K428-I430 PolarHBondContact O-N 2.97Å; K428-K431 PolarHBondContact O-N 3.13Å; K428-Q432 WeakPolarHBondContact O-CB 3.41Å; K428-Q432 VanDerWaalsContact O-CG 3.32Å; K428-Q432 WeakPolarHBondContact O-CG 3.49Å; K428-Q432 PolarHBondContact O-N 2.82Å; K428-W692 HydrophobicContact CD-CD2 4.23Å; K428-W692 HydrophobicContact CD-CG 4.27Å
429N52Low54.1Low82 Ų8270.4 Ų70.444%0.43938%0.38SS..Hα-helixtrans-65.2-40.5178.7-68.5-9.8000111.7L425 K426 Q432 T433L425-N429 WeakPolarHBondContact O-CB 3.48Å; L425-N429 PolarHBondContact O-N 2.99Å; L425-N429 PolarHBondContact O-ND2 3.39Å; L425-N429 PolarHBondContact O-OD1 3.17Å; K426-N429 PolarHBondContact O-N 3.41Å; N429-Q432 PolarHBondContact O-N 3.45Å; N429-T433 PolarHBondContact O-N 3.02Å; N429-T433 PolarHBondContact O-OG1 3.42Å; N429-T433 VanDerWaalsContact O-OG1 3.09Å
430I52.9Low56.6Low101 Ų10171 Ų7152%0.51838%0.379SS..Hα-helixtrans-61.9-46.6174.8-64.9167.5000110.4K426 K428 Q432 T433 E434K426-I430 VanDerWaalsContact O-CG1 3.25Å; K426-I430 WeakPolarHBondContact O-CG1 3.25Å; K426-I430 PolarHBondContact O-N 3.45Å; K426-I430 VanDerWaalsContact O-N 3.08Å; K428-I430 PolarHBondContact O-N 2.97Å; I430-Q432 VanDerWaalsContact C-N 3.33Å; I430-Q432 PolarHBondContact O-N 2.69Å; I430-T433 PolarHBondContact O-N 3.36Å; I430-E434 WeakPolarHBondContact O-CG 3.33Å; I430-E434 PolarHBondContact O-N 2.73Å
431K62.9Low58.7Low71 Ų7167.9 Ų67.931%0.30936%0.36SS..Hα-helixtrans-63.3-38.4178.5-16573-154.3158.60112.6S427 K428 E434 L435S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 2.96Å; K428-K431 PolarHBondContact O-N 3.13Å; K431-E434 IonicContact NZ-OE2 3.38Å; K431-E434 PolarHBondContact NZ-OE2 3.42Å; K431-E434 PolarHBondContact O-N 3.32Å; K431-L435 HydrophobicContact CG-CD1 4.4Å; K431-L435 VanDerWaalsContact O-CG 3.29Å; K431-L435 WeakPolarHBondContact O-CG 3.5Å; K431-L435 PolarHBondContact O-N 3.38Å
432Q63.8Low61.3Low38 Ų3859.6 Ų59.618%0.17832%0.322CS..Hα-helixtrans-60.6-48.7174-77.1179.8-19.100110.9K428 N429 I430 E434 L435 V436 W692 F694K428-Q432 WeakPolarHBondContact O-CB 3.41Å; K428-Q432 VanDerWaalsContact O-CG 3.32Å; K428-Q432 WeakPolarHBondContact O-CG 3.49Å; K428-Q432 PolarHBondContact O-N 2.82Å; N429-Q432 PolarHBondContact O-N 3.45Å; I430-Q432 VanDerWaalsContact C-N 3.33Å; I430-Q432 PolarHBondContact O-N 2.69Å; Q432-E434 VanDerWaalsContact C-N 3.31Å; Q432-E434 PolarHBondContact O-N 2.88Å; Q432-L435 PolarHBondContact O-N 2.94Å; Q432-L435 VanDerWaalsContact O-N 3.17Å; Q432-V436 WeakPolarHBondContact O-CG2 3.46Å; Q432-V436 PolarHBondContact O-N 3.36Å; Q432-W692 PolarHBondContact NE2-O 3.41Å; Q432-F694 HydrophobicContact CB-CE1 4.1Å; Q432-F694 HydrophobicContact CB-CE2 4.03Å; Q432-F694 HydrophobicContact CB-CZ 3.42Å; Q432-F694 VanDerWaalsContact CB-CZ 3.42Å; Q432-F694 HydrophobicContact CG-CE1 4.14Å; Q432-F694 HydrophobicContact CG-CE2 3.74Å; Q432-F694 HydrophobicContact CG-CZ 3.54Å; Q432-F694 WeakPolarHBondContact O-CZ 3.5Å
433T67.8Low64.2Low101 Ų10156.3 Ų56.362%0.6229%0.294SS*.Hα-helixtrans-58-41.9177.5-53.30000112.4N429 I430 V436 A437N429-T433 PolarHBondContact O-N 3.02Å; N429-T433 PolarHBondContact O-OG1 3.42Å; N429-T433 VanDerWaalsContact O-OG1 3.09Å; I430-T433 PolarHBondContact O-N 3.36Å; T433-V436 PolarHBondContact O-N 3.45Å; T433-A437 WeakPolarHBondContact O-CB 2.72Å; T433-A437 PolarHBondContact O-N 2.91Å
434E67.8Low66.7Low54 Ų5453.5 Ų53.525%0.25228%0.281SS..Hα-helixtrans-60.8-44.8175.5-70.6174.9-174.600112.8I430 K431 Q432 A437 A438I430-E434 WeakPolarHBondContact O-CG 3.33Å; I430-E434 PolarHBondContact O-N 2.73Å; K431-E434 IonicContact NZ-OE2 3.38Å; K431-E434 PolarHBondContact NZ-OE2 3.42Å; K431-E434 PolarHBondContact O-N 3.32Å; Q432-E434 VanDerWaalsContact C-N 3.31Å; Q432-E434 PolarHBondContact O-N 2.88Å; E434-A437 PolarHBondContact O-N 2.87Å; E434-A438 PolarHBondContact O-N 2.98Å
435L75.4Confident68.7Low19 Ų1956 Ų5610%0.09929%0.29CS..Hα-helixtrans-65.1-40.7-178.9-71.3172.1000111.8K431 Q432 L439 A574 I575 H578 F694K431-L435 HydrophobicContact CG-CD1 4.4Å; K431-L435 VanDerWaalsContact O-CG 3.29Å; K431-L435 WeakPolarHBondContact O-CG 3.5Å; K431-L435 PolarHBondContact O-N 3.38Å; Q432-L435 PolarHBondContact O-N 2.94Å; Q432-L435 VanDerWaalsContact O-N 3.17Å; L435-L439 PolarHBondContact O-N 3.13Å; L435-L439 VanDerWaalsContact O-N 3.07Å; L435-A574 HydrophobicContact CD2-CB 3.61Å; L435-I575 HydrophobicContact CB-CG1 4.11Å; L435-H578 HydrophobicContact CD1-CB 3.56Å; L435-F694 HydrophobicContact CB-CE2 4.12Å; L435-F694 HydrophobicContact CD1-CE2 3.99Å
436V75.9Confident71.3Confident8 Ų851.3 Ų51.35%0.04827%0.265CS..Hα-helixtrans-66.6-41.5175-175.20000111.1Q432 T433 A438 L439 R440 F694 Q702 I703Q432-V436 WeakPolarHBondContact O-CG2 3.46Å; Q432-V436 PolarHBondContact O-N 3.36Å; T433-V436 PolarHBondContact O-N 3.45Å; V436-A438 PolarHBondContact O-N 3.09Å; V436-L439 PolarHBondContact O-N 3.47Å; V436-R440 WeakPolarHBondContact O-CB 3.08Å; V436-R440 PolarHBondContact O-N 3.16Å; V436-F694 HydrophobicContact CG2-CE1 3.74Å; V436-F694 HydrophobicContact CG2-CZ 3.67Å; V436-Q702 HydrophobicContact CG1-CG 4.4Å; V436-I703 HydrophobicContact CG1-CD1 4.41Å; V436-I703 HydrophobicContact CG2-CD1 3.73Å
437A72.1Confident73.7Confident56 Ų5644.6 Ų44.646%0.46324%0.236SC..Hα-helixtrans-61.1-44.6177.900000111.9T433 E434 L439 R440 E441T433-A437 WeakPolarHBondContact O-CB 2.72Å; T433-A437 PolarHBondContact O-N 2.91Å; E434-A437 PolarHBondContact O-N 2.87Å; A437-L439 PolarHBondContact O-N 2.9Å; A437-R440 PolarHBondContact O-N 3.21Å; A437-E441 WeakPolarHBondContact O-CB 3.47Å; A437-E441 PolarHBondContact O-N 3.47Å
438A71.9Confident75.8Confident29 Ų2947.1 Ų47.124%0.2424%0.243CC..Hα-helixtrans-63.4-39.4176.500000112.5E434 V436 A442E434-A438 PolarHBondContact O-N 2.98Å; V436-A438 PolarHBondContact O-N 3.09Å; A438-A442 PolarHBondContact O-N 2.99Å; A438-A442 VanDerWaalsContact O-N 3.08Å
439L89.9Confident77.6Confident0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-64.8-47.7174.7178.368.3000111.4L435 V436 A437 E441 A442 I443 L568 A571 L572 I575 I703 E706 L707L435-L439 PolarHBondContact O-N 3.13Å; L435-L439 VanDerWaalsContact O-N 3.07Å; V436-L439 PolarHBondContact O-N 3.47Å; A437-L439 PolarHBondContact O-N 2.9Å; L439-E441 VanDerWaalsContact C-N 3.28Å; L439-E441 PolarHBondContact O-N 2.85Å; L439-A442 PolarHBondContact O-N 2.93Å; L439-I443 HydrophobicContact CD1-CD1 3.96Å; L439-I443 HydrophobicContact CD1-CG1 4.34Å; L439-I443 HydrophobicContact CD2-CD1 4.19Å; L439-I443 HydrophobicContact CG-CD1 3.69Å; L439-I443 HydrophobicContact CG-CG1 4.45Å; L439-I443 WeakPolarHBondContact O-CG1 3.44Å; L439-I443 PolarHBondContact O-N 3.16Å; L439-L568 HydrophobicContact CD1-CD1 3.9Å; L439-A571 HydrophobicContact CB-CB 4.48Å; L439-A571 HydrophobicContact CD1-CB 4.33Å; L439-L572 HydrophobicContact CD1-CB 4.49Å; L439-L572 HydrophobicContact CD1-CD1 4.49Å; L439-I575 HydrophobicContact CB-CD1 3.81Å; L439-I575 HydrophobicContact CD1-CD1 4.46Å; L439-I575 HydrophobicContact CD2-CD1 3.5Å; L439-I575 HydrophobicContact CG-CD1 4.11Å; L439-I703 HydrophobicContact CD2-CD1 4.14Å; L439-I703 HydrophobicContact CD2-CG2 3.64Å; L439-E706 HydrophobicContact CD2-CB 4.34Å; L439-L707 HydrophobicContact CD1-CD2 4.25Å
440R85.4Confident79.5Confident106 Ų10642.2 Ų42.240%0.422%0.218SC..Hα-helixtrans-58-43.8178.3-175.4-178.5-67.3177-0.3110.8V436 A437 A442 I443 T444 Y466 E706V436-R440 WeakPolarHBondContact O-CB 3.08Å; V436-R440 PolarHBondContact O-N 3.16Å; A437-R440 PolarHBondContact O-N 3.21Å; R440-A442 PolarHBondContact O-N 2.94Å; R440-I443 PolarHBondContact O-N 3.47Å; R440-T444 WeakPolarHBondContact O-CB 3.35Å; R440-T444 PolarHBondContact O-N 3.13Å; R440-T444 PolarHBondContact O-OG1 3.35Å; R440-Y466 PolarHBondContact NH2-OH 3.26Å; R440-E706 IonicContact CZ-OE1 3.14Å; R440-E706 IonicContact NE-OE1 3.32Å; R440-E706 PolarHBondContact NE-OE1 3.34Å; R440-E706 IonicContact NE-OE2 3.7Å; R440-E706 PolarHBondContact NE-OE2 3.47Å; R440-E706 IonicContact NH2-OE1 3.8Å; R440-E706 PolarHBondContact NH2-OE1 3.38Å
441E79Confident81.1Confident73 Ų7339.7 Ų39.734%0.34120%0.204SC..Hα-helixtrans-60.4-46176.2-173.7-178.4178.100112.1A437 L439 I443 T444 R445A437-E441 WeakPolarHBondContact O-CB 3.47Å; A437-E441 PolarHBondContact O-N 3.47Å; L439-E441 VanDerWaalsContact C-N 3.28Å; L439-E441 PolarHBondContact O-N 2.85Å; E441-I443 VanDerWaalsContact C-N 3.31Å; E441-I443 PolarHBondContact O-N 3.27Å; E441-T444 PolarHBondContact O-N 3.2Å; E441-R445 WeakPolarHBondContact O-CG 3.39Å; E441-R445 PolarHBondContact O-N 2.96Å; E441-R445 IonicContact OE1-CZ 4Å; E441-R445 VanDerWaalsContact OE1-CZ 3.26Å; E441-R445 IonicContact OE1-NE 2.74Å; E441-R445 PolarHBondContact OE1-NE 3.12Å; E441-R445 IonicContact OE1-NH2 3.96Å; E441-R445 PolarHBondContact OE1-NH2 3.39Å
442A89.1Confident82.2Confident5 Ų541.6 Ų41.64%0.04123%0.225CC..Hα-helixtrans-62.7-38.9177.900000112.3A438 L439 R440 T446 L568 A571A438-A442 PolarHBondContact O-N 2.99Å; A438-A442 VanDerWaalsContact O-N 3.08Å; L439-A442 PolarHBondContact O-N 2.93Å; R440-A442 PolarHBondContact O-N 2.94Å; A442-T446 WeakPolarHBondContact O-CB 3.32Å; A442-T446 PolarHBondContact O-N 3.32Å; A442-T446 VanDerWaalsContact O-N 3.07Å; A442-T446 PolarHBondContact O-OG1 3.18Å; A442-L568 HydrophobicContact CB-CB 4.32Å; A442-L568 HydrophobicContact CB-CD1 4.19Å; A442-A571 HydrophobicContact CB-CB 4.29Å
443I91.3Very high83.1Confident3 Ų344.1 Ų44.12%0.01524%0.239CC..Hα-helixtrans-65.2-48.5175.5-71.1164.8000110.6L439 R440 E441 R445 T446 A447 L568 E706 L707 V709 L710L439-I443 HydrophobicContact CD1-CD1 3.96Å; L439-I443 HydrophobicContact CD1-CG1 4.34Å; L439-I443 HydrophobicContact CD2-CD1 4.19Å; L439-I443 HydrophobicContact CG-CD1 3.69Å; L439-I443 HydrophobicContact CG-CG1 4.45Å; L439-I443 WeakPolarHBondContact O-CG1 3.44Å; L439-I443 PolarHBondContact O-N 3.16Å; R440-I443 PolarHBondContact O-N 3.47Å; E441-I443 VanDerWaalsContact C-N 3.31Å; E441-I443 PolarHBondContact O-N 3.27Å; I443-R445 PolarHBondContact O-N 3.49Å; I443-T446 PolarHBondContact O-N 3.13Å; I443-A447 WeakPolarHBondContact O-CB 3.48Å; I443-A447 PolarHBondContact O-N 2.9Å; I443-L568 HydrophobicContact CG1-CD1 3.82Å; I443-E706 HydrophobicContact CD1-CB 3.67Å; I443-L707 HydrophobicContact CD1-CD2 4.13Å; I443-V709 HydrophobicContact CG2-CB 3.95Å; I443-V709 HydrophobicContact CG2-CG1 4.16Å; I443-L710 HydrophobicContact CG1-CD1 3.99Å; I443-L710 HydrophobicContact CG1-CG 4.24Å; I443-L710 HydrophobicContact CG2-CD2 3.96Å; I443-L710 HydrophobicContact CG2-CG 4Å
444T87.6Confident83.7Confident45 Ų4539.8 Ų39.828%0.27621%0.212SC..Hα-helixtrans-60.2-46.9179-61.40000111.3R440 E441 T446 A447 E448R440-T444 WeakPolarHBondContact O-CB 3.35Å; R440-T444 PolarHBondContact O-N 3.13Å; R440-T444 PolarHBondContact O-OG1 3.35Å; E441-T444 PolarHBondContact O-N 3.2Å; T444-T446 VanDerWaalsContact C-N 3.31Å; T444-T446 PolarHBondContact O-N 2.76Å; T444-A447 PolarHBondContact O-N 2.91Å; T444-A447 VanDerWaalsContact O-N 3.13Å; T444-E448 HydrophobicContact CG2-CG 4.13Å; T444-E448 WeakPolarHBondContact CG2-OE1 3.41Å; T444-E448 WeakPolarHBondContact O-CB 3.31Å; T444-E448 WeakPolarHBondContact O-CG 3.44Å; T444-E448 PolarHBondContact O-N 2.93Å
445R84.6Confident84.1Confident53 Ų5342.4 Ų42.420%0.223%0.234CC..Hα-helixtrans-60.2-41.5177.1-71.2177.1-177.2-139.4-1.9112.3N390 S394 E441 I443 A447 H449 L563N390-R445 PolarHBondContact O-NH1 3.5Å; N390-R445 VanDerWaalsContact O-NH1 3.15Å; N390-R445 PolarHBondContact O-NH2 2.98Å; S394-R445 PolarHBondContact OG-NH2 3.14Å; E441-R445 WeakPolarHBondContact O-CG 3.39Å; E441-R445 PolarHBondContact O-N 2.96Å; E441-R445 IonicContact OE1-CZ 4Å; E441-R445 VanDerWaalsContact OE1-CZ 3.26Å; E441-R445 IonicContact OE1-NE 2.74Å; E441-R445 PolarHBondContact OE1-NE 3.12Å; E441-R445 IonicContact OE1-NH2 3.96Å; E441-R445 PolarHBondContact OE1-NH2 3.39Å; I443-R445 PolarHBondContact O-N 3.49Å; R445-A447 VanDerWaalsContact C-N 3.34Å; R445-H449 PolarHBondContact O-N 2.91Å; R445-H449 VanDerWaalsContact O-N 3.17Å; R445-L563 HydrophobicContact CB-CD2 4.02Å
446T91.9Very high84.2Confident0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-64.2-41.8176.5-53.90000110.5A442 I443 T444 H449 F450 V564 L710 F715A442-T446 WeakPolarHBondContact O-CB 3.32Å; A442-T446 PolarHBondContact O-N 3.32Å; A442-T446 VanDerWaalsContact O-N 3.07Å; A442-T446 PolarHBondContact O-OG1 3.18Å; I443-T446 PolarHBondContact O-N 3.13Å; T444-T446 VanDerWaalsContact C-N 3.31Å; T444-T446 PolarHBondContact O-N 2.76Å; T446-H449 WeakPolarHBondContact O-CB 3.11Å; T446-F450 HydrophobicContact CG2-CE2 4.49Å; T446-F450 VanDerWaalsContact O-CD2 3.28Å; T446-F450 WeakPolarHBondContact O-CD2 3.29Å; T446-V564 HydrophobicContact CG2-CG2 4.31Å; T446-L710 HydrophobicContact CG2-CD2 4Å; T446-F715 HydrophobicContact CG2-CE1 3.8Å; T446-F715 HydrophobicContact CG2-CZ 3.78Å
447A90.3Very high84.3Confident0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-71.1-4017900000113.6I443 T444 R445 H449 F450 H451 L462 F713I443-A447 WeakPolarHBondContact O-CB 3.48Å; I443-A447 PolarHBondContact O-N 2.9Å; T444-A447 PolarHBondContact O-N 2.91Å; T444-A447 VanDerWaalsContact O-N 3.13Å; R445-A447 VanDerWaalsContact C-N 3.34Å; A447-H449 PolarHBondContact O-N 2.83Å; A447-F450 WeakPolarHBondContact O-CB 3.36Å; A447-F450 PolarHBondContact O-N 3.39Å; A447-F450 VanDerWaalsContact O-N 3.08Å; A447-H451 PolarHBondContact O-N 3.41Å; A447-H451 VanDerWaalsContact O-N 3.12Å; A447-L462 HydrophobicContact CB-CD1 3.97Å; A447-L462 HydrophobicContact CB-CD2 3.58Å; A447-L462 HydrophobicContact CB-CG 4.4Å; A447-F713 HydrophobicContact CB-CD2 4.39Å; A447-F713 HydrophobicContact CB-CE2 3.45Å; A447-F713 VanDerWaalsContact CB-CE2 3.45Å; A447-F713 HydrophobicContact CB-CZ 3.66Å
448E88.4Confident84.3Confident97 Ų9749.3 Ų49.345%0.45326%0.259SS..Hα-helixtrans-60.9-35.3175.5-76174.416900111.7T444 F450 H451 C452 L462T444-E448 HydrophobicContact CG2-CG 4.13Å; T444-E448 WeakPolarHBondContact CG2-OE1 3.41Å; T444-E448 WeakPolarHBondContact O-CB 3.31Å; T444-E448 WeakPolarHBondContact O-CG 3.44Å; T444-E448 PolarHBondContact O-N 2.93Å; E448-F450 VanDerWaalsContact C-N 3.29Å; E448-F450 PolarHBondContact O-N 2.92Å; E448-H451 WeakPolarHBondContact O-CB 3.46Å; E448-H451 PolarHBondContact O-N 3.45Å; E448-H451 VanDerWaalsContact O-N 3.07Å; E448-C452 PolarHBondContact O-N 3.15Å; E448-C452 PolarHBondContact O-SG 2.9Å; E448-C452 VanDerWaalsContact O-SG 3.4Å; E448-L462 HydrophobicContact CG-CD1 4.38Å
449H90.4Very high84.3Confident27 Ų2753.1 Ų53.113%0.12528%0.284CS..Hα-helixtrans-56.2-43.2172.4178.574000112.4R445 T446 A447 C452 L453 A551 L563R445-H449 PolarHBondContact O-N 2.91Å; R445-H449 VanDerWaalsContact O-N 3.17Å; T446-H449 WeakPolarHBondContact O-CB 3.11Å; A447-H449 PolarHBondContact O-N 2.83Å; H449-C452 PolarHBondContact O-N 3.05Å; H449-L453 WeakPolarHBondContact CE1-CD1 3.44Å; H449-L453 PolarHBondContact O-N 3.17Å; H449-A551 PolarHBondContact CD2-O 2.64Å; H449-A551 VanDerWaalsContact CD2-O 3.25Å; H449-A551 PolarHBondContact NE2-O 3.07Å; H449-A551 VanDerWaalsContact NE2-O 3.08Å; H449-L563 HydrophobicContact CB-CD1 3.51Å
450F90.3Very high84Confident0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-66.8-38.3173.7-76.8-95.9000112.2T446 A447 E448 C452 L453 D454 A551 G552 F713 A714 F715T446-F450 HydrophobicContact CG2-CE2 4.49Å; T446-F450 VanDerWaalsContact O-CD2 3.28Å; T446-F450 WeakPolarHBondContact O-CD2 3.29Å; A447-F450 WeakPolarHBondContact O-CB 3.36Å; A447-F450 PolarHBondContact O-N 3.39Å; A447-F450 VanDerWaalsContact O-N 3.08Å; E448-F450 VanDerWaalsContact C-N 3.29Å; E448-F450 PolarHBondContact O-N 2.92Å; F450-C452 VanDerWaalsContact C-N 3.26Å; F450-C452 PolarHBondContact O-N 3.38Å; F450-L453 PolarHBondContact O-N 3.45Å; F450-D454 WeakPolarHBondContact O-CA 3.23Å; F450-D454 WeakPolarHBondContact O-CB 3.43Å; F450-D454 PolarHBondContact O-N 3.02Å; F450-A551 HydrophobicContact CD1-CB 3.68Å; F450-A551 HydrophobicContact CE1-CB 3.98Å; F450-A551 HydrophobicContact CG-CB 4.1Å; F450-G552 VanDerWaalsContact CZ-CA 3.4Å; F450-F713 HydrophobicContact CB-CD1 3.39Å; F450-F713 HydrophobicContact CB-CE1 3.57Å; F450-F713 HydrophobicContact CB-CG 4.21Å; F450-F713 HydrophobicContact CD1-CB 3.9Å; F450-F713 AromaticContact CD1-CD1 3.77Å; F450-F713 HydrophobicContact CD1-CD1 3.77Å; F450-F713 HydrophobicContact CD1-CG 4.15Å; F450-F713 HydrophobicContact CD2-CB 3.98Å; F450-F713 AromaticContact CD2-CD1 3.94Å; F450-F713 HydrophobicContact CD2-CD1 3.94Å; F450-F713 AromaticContact CD2-CG 3.89Å; F450-F713 HydrophobicContact CD2-CG 3.89Å; F450-F713 HydrophobicContact CE1-CB 3.81Å; F450-F713 HydrophobicContact CE2-CB 3.91Å; F450-F713 HydrophobicContact CE2-CG 4.29Å; F450-F713 HydrophobicContact CG-CB 3.99Å; F450-F713 AromaticContact CG-CD1 3.42Å; F450-F713 HydrophobicContact CG-CD1 3.42Å; F450-F713 VanDerWaalsContact CG-CD1 3.42Å; F450-F713 HydrophobicContact CG-CE1 4.11Å; F450-F713 AromaticContact CG-CG 3.82Å; F450-F713 HydrophobicContact CG-CG 3.82Å; F450-F713 HydrophobicContact CZ-CB 3.81Å; F450-A714 WeakPolarHBondContact CE1-O 3.09Å; F450-F715 HydrophobicContact CE2-CD1 4.19Å; F450-F715 AromaticContact CE2-CE1 3.5Å; F450-F715 HydrophobicContact CE2-CE1 3.5Å; F450-F715 VanDerWaalsContact CE2-CE1 3.5Å; F450-F715 HydrophobicContact CE2-CE2 4.36Å; F450-F715 AromaticContact CE2-CZ 3.6Å; F450-F715 HydrophobicContact CE2-CZ 3.6Å; F450-F715 AromaticContact CZ-CD1 3.91Å; F450-F715 HydrophobicContact CZ-CD1 3.91Å; F450-F715 AromaticContact CZ-CE1 3.69Å; F450-F715 HydrophobicContact CZ-CE1 3.69Å; F450-F715 HydrophobicContact CZ-CE2 4.33Å; F450-F715 HydrophobicContact CZ-CG 4.33Å; F450-F715 AromaticContact CZ-CZ 3.92Å; F450-F715 HydrophobicContact CZ-CZ 3.92Å
451H88.1Confident83.8Confident49 Ų4953.9 Ų53.923%0.22730%0.296CS..Hα-helixtrans-63-33.9176.7-72.7-165.6000112.6A447 E448 H457 T460A447-H451 PolarHBondContact O-N 3.41Å; A447-H451 VanDerWaalsContact O-N 3.12Å; E448-H451 WeakPolarHBondContact O-CB 3.46Å; E448-H451 PolarHBondContact O-N 3.45Å; E448-H451 VanDerWaalsContact O-N 3.07Å; H451-H457 PolarHBondContact CD2-O 3.1Å; H451-H457 PolarHBondContact NE2-O 3Å; H451-T460 PolarHBondContact CE1-O 3.33Å; H451-T460 PolarHBondContact NE2-O 3.47Å
452C85.1Confident84.2Confident110 Ų11052.2 Ų52.274%0.74329%0.29SS*.Hα-helixtrans-74.4-35.4178.4-70.10000113.3E448 H449 F450E448-C452 PolarHBondContact O-N 3.15Å; E448-C452 PolarHBondContact O-SG 2.9Å; E448-C452 VanDerWaalsContact O-SG 3.4Å; H449-C452 PolarHBondContact O-N 3.05Å; F450-C452 VanDerWaalsContact C-N 3.26Å; F450-C452 PolarHBondContact O-N 3.38Å
453L82Confident83.9Confident92 Ų9256.2 Ų56.248%0.48231%0.314SS..Hα-helixtrans-107.7-18.9-169.9-68-178.4000114.6H449 F450 A551 T557H449-L453 WeakPolarHBondContact CE1-CD1 3.44Å; H449-L453 PolarHBondContact O-N 3.17Å; F450-L453 PolarHBondContact O-N 3.45Å; L453-A551 HydrophobicContact CB-CB 3.72Å; L453-A551 HydrophobicContact CD1-CB 4.33Å; L453-T557 HydrophobicContact CD1-CG2 3.77Å
454D80.3Confident83.5Confident10 Ų1057.4 Ų57.45%0.05332%0.322CS..  trans-121.9101.5178.2-163-27.3000111.2F450 R456 H457 S549F450-D454 WeakPolarHBondContact O-CA 3.23Å; F450-D454 WeakPolarHBondContact O-CB 3.43Å; F450-D454 PolarHBondContact O-N 3.02Å; D454-R456 PolarHBondContact O-N 3.48Å; D454-R456 VanDerWaalsContact O-N 3.08Å; D454-R456 WeakPolarHBondContact OD1-CB 3.26Å; D454-R456 IonicContact OD1-CZ 3.58Å; D454-R456 PolarHBondContact OD1-N 3.31Å; D454-R456 VanDerWaalsContact OD1-N 3.14Å; D454-R456 IonicContact OD1-NE 3.96Å; D454-R456 PolarHBondContact OD1-NE 3.41Å; D454-R456 IonicContact OD1-NH2 3.12Å; D454-R456 IonicContact OD2-CZ 3.77Å; D454-R456 IonicContact OD2-NE 3.92Å; D454-R456 PolarHBondContact OD2-NE 3.38Å; D454-R456 IonicContact OD2-NH2 2.91Å; D454-R456 PolarHBondContact OD2-NH2 3.16Å; D454-H457 HydrophobicContact CB-CB 4.47Å; D454-H457 PolarHBondContact O-N 3.17Å; D454-H457 IonicContact OD2-CD2 2.72Å; D454-S549 VanDerWaalsContact OD2-CB 3.31Å; D454-S549 WeakPolarHBondContact OD2-CB 3.45Å; D454-S549 PolarHBondContact OD2-OG 3.03Å
455P76.6Confident83.3Confident108 Ų10858.4 Ų58.470%0.70133%0.325SS*.G310 helixtrans-56.5-27.3-179.4-26.634.6000114.1H457 S458P455-H457 PolarHBondContact O-N 2.73Å; P455-S458 WeakPolarHBondContact O-CB 3.43Å; P455-S458 PolarHBondContact O-N 3.02Å; P455-S458 PolarHBondContact O-OG 3.5Å
456R77.5Confident83.2Confident125 Ų12560.7 Ų60.747%0.47234%0.335SS..G310 helixtrans-64.4-24.9177.3-62.3174.3-67.2177-6.4112.2D454 E547 Y548D454-R456 PolarHBondContact O-N 3.48Å; D454-R456 VanDerWaalsContact O-N 3.08Å; D454-R456 WeakPolarHBondContact OD1-CB 3.26Å; D454-R456 IonicContact OD1-CZ 3.58Å; D454-R456 PolarHBondContact OD1-N 3.31Å; D454-R456 VanDerWaalsContact OD1-N 3.14Å; D454-R456 IonicContact OD1-NE 3.96Å; D454-R456 PolarHBondContact OD1-NE 3.41Å; D454-R456 IonicContact OD1-NH2 3.12Å; D454-R456 IonicContact OD2-CZ 3.77Å; D454-R456 IonicContact OD2-NE 3.92Å; D454-R456 PolarHBondContact OD2-NE 3.38Å; D454-R456 IonicContact OD2-NH2 2.91Å; D454-R456 PolarHBondContact OD2-NH2 3.16Å; R456-E547 IonicContact CZ-OE2 2.97Å; R456-E547 IonicContact NH1-OE2 3.42Å; R456-E547 PolarHBondContact NH1-OE2 2.91Å; R456-Y548 PolarHBondContact NH2-O 2.74Å
457H78.1Confident82.6Confident28 Ų2862.6 Ų62.613%0.1335%0.348CS..G310 helixtrans-99.1-5.8-178.3-73.8-60.5000113.9H451 D454 P455 S459 T460 K712 F713H451-H457 PolarHBondContact CD2-O 3.1Å; H451-H457 PolarHBondContact NE2-O 3Å; D454-H457 HydrophobicContact CB-CB 4.47Å; D454-H457 PolarHBondContact O-N 3.17Å; D454-H457 IonicContact OD2-CD2 2.72Å; P455-H457 PolarHBondContact O-N 2.73Å; H457-S459 PolarHBondContact O-N 3.4Å; H457-T460 WeakPolarHBondContact CA-OG1 3.19Å; H457-T460 PolarHBondContact ND1-OG1 2.95Å; H457-T460 WeakPolarHBondContact O-CB 3.31Å; H457-T460 PolarHBondContact O-N 3.01Å; H457-T460 PolarHBondContact O-OG1 3.26Å; H457-K712 PolarHBondContact CE1-O 2.87Å; H457-F713 HydrophobicContact CB-CD1 4.39Å; H457-F713 HydrophobicContact CB-CE1 4.04Å; H457-F713 AromaticContact CG-CD1 3.99Å
458S71.8Confident81.8Confident76 Ų7668.3 Ų68.353%0.53138%0.376SS..THydrogen-bonded Turntrans-54.3-24.6-175.8600000115.9P455P455-S458 WeakPolarHBondContact O-CB 3.43Å; P455-S458 PolarHBondContact O-N 3.02Å; P455-S458 PolarHBondContact O-OG 3.5Å
459S72.8Confident81.4Confident109 Ų10969.4 Ų69.476%0.76238%0.381SS*.THydrogen-bonded Turntrans-108.210.617959.20000114.2H457 D461H457-S459 PolarHBondContact O-N 3.4Å; S459-D461 PolarHBondContact O-N 2.95Å
460T82.8Confident80.9Confident32 Ų3268.7 Ų68.720%0.19638%0.379CS..  trans-70.2127.5-178.9-48.50000110.2H451 H457 L462 K712 F713H451-T460 PolarHBondContact CE1-O 3.33Å; H451-T460 PolarHBondContact NE2-O 3.47Å; H457-T460 WeakPolarHBondContact CA-OG1 3.19Å; H457-T460 PolarHBondContact ND1-OG1 2.95Å; H457-T460 WeakPolarHBondContact O-CB 3.31Å; H457-T460 PolarHBondContact O-N 3.01Å; H457-T460 PolarHBondContact O-OG1 3.26Å; T460-L462 PolarHBondContact O-N 3.11Å; T460-K712 HydrophobicContact CG2-CB 4.15Å; T460-K712 HydrophobicContact CG2-CD 3.65Å; T460-F713 HydrophobicContact CG2-CZ 4.48Å
461D82.6Confident80.3Confident89 Ų8970.4 Ų70.448%0.47639%0.387SS..  trans-67.8123.6176.417918.6000111.2S459 T463 K712S459-D461 PolarHBondContact O-N 2.95Å; D461-T463 WeakPolarHBondContact OD1-CB 3.44Å; D461-T463 WeakPolarHBondContact OD1-CG2 3.19Å; D461-T463 PolarHBondContact OD1-N 3.03Å; D461-T463 PolarHBondContact OD1-OG1 2.85Å; D461-T463 PolarHBondContact OD2-OG1 3.02Å; D461-K712 PolarHBondContact O-NZ 3.34Å
462L87.3Confident80Confident39 Ų3975.1 Ų75.120%0.20441%0.409CS..  trans-94.7-2.3179-56.6-171.9000113A447 E448 T460 P464 V709 F713A447-L462 HydrophobicContact CB-CD1 3.97Å; A447-L462 HydrophobicContact CB-CD2 3.58Å; A447-L462 HydrophobicContact CB-CG 4.4Å; E448-L462 HydrophobicContact CG-CD1 4.38Å; T460-L462 PolarHBondContact O-N 3.11Å; L462-P464 WeakPolarHBondContact O-CD 3.45Å; L462-V709 HydrophobicContact CD2-CG1 4.19Å; L462-F713 HydrophobicContact CD2-CE2 4.23Å; L462-F713 HydrophobicContact CD2-CZ 3.77Å
463T82.1Confident80Confident89 Ų8975.6 Ų75.655%0.54640%0.395SS..SBendtrans-71.8126.1178.264.50000110.4D461 D465D461-T463 WeakPolarHBondContact OD1-CB 3.44Å; D461-T463 WeakPolarHBondContact OD1-CG2 3.19Å; D461-T463 PolarHBondContact OD1-N 3.03Å; D461-T463 PolarHBondContact OD1-OG1 2.85Å; D461-T463 PolarHBondContact OD2-OG1 3.02Å; T463-D465 PolarHBondContact O-N 3.37Å
464P83.6Confident80.2Confident28 Ų2871.4 Ų71.418%0.18237%0.374CS..  trans-69.9132.8175.7-13.726.2000110.6L462 Y466 E706 V709L462-P464 WeakPolarHBondContact O-CD 3.45Å; P464-Y466 HydrophobicContact CB-CE1 4.43Å; P464-Y466 HydrophobicContact CB-CE2 3.75Å; P464-Y466 HydrophobicContact CG-CE2 4.3Å; P464-Y466 VanDerWaalsContact O-CD2 3.27Å; P464-Y466 WeakPolarHBondContact O-CD2 3.47Å; P464-Y466 VanDerWaalsContact O-CE2 3.31Å; P464-Y466 WeakPolarHBondContact O-CE2 3.4Å; P464-E706 WeakPolarHBondContact CG-OE2 3.24Å; P464-V709 HydrophobicContact CB-CG2 4.15Å; P464-V709 HydrophobicContact CG-CG2 4.04Å
465D82.9Confident80.3Confident65 Ų6575 Ų7535%0.34839%0.39SS..  trans-92110176.8-179.22.1000110.4T463 S467 S470 C705 R708T463-D465 PolarHBondContact O-N 3.37Å; D465-S467 VanDerWaalsContact CG-OG 3.3Å; D465-S467 WeakPolarHBondContact OD1-CB 3.43Å; D465-S467 PolarHBondContact OD1-N 3.3Å; D465-S467 PolarHBondContact OD1-OG 2.97Å; D465-S467 PolarHBondContact OD2-OG 3.12Å; D465-S470 VanDerWaalsContact CG-CB 3.42Å; D465-S470 WeakPolarHBondContact OD2-CB 3.5Å; D465-S470 PolarHBondContact OD2-OG 2.96Å; D465-C705 PolarHBondContact O-SG 3.14Å; D465-R708 PolarHBondContact O-NH1 3.34Å
466Y82.8Confident80.6Confident102 Ų10275.8 Ų75.840%0.438%0.384SS..  trans-92.26.3-179.7-59.2-82.8000113.6R440 P464 Q702 C705 E706R440-Y466 PolarHBondContact NH2-OH 3.26Å; P464-Y466 HydrophobicContact CB-CE1 4.43Å; P464-Y466 HydrophobicContact CB-CE2 3.75Å; P464-Y466 HydrophobicContact CG-CE2 4.3Å; P464-Y466 VanDerWaalsContact O-CD2 3.27Å; P464-Y466 WeakPolarHBondContact O-CD2 3.47Å; P464-Y466 VanDerWaalsContact O-CE2 3.31Å; P464-Y466 WeakPolarHBondContact O-CE2 3.4Å; Y466-Q702 HydrophobicContact CE1-CG 3.85Å; Y466-C705 HydrophobicContact CD1-CB 3.64Å; Y466-C705 HydrophobicContact CE1-CB 3.68Å; Y466-C705 HydrophobicContact CG-CB 4.45Å; Y466-E706 PolarHBondContact OH-OE1 2.97Å
467S77.8Confident80.8Confident39 Ų3973.7 Ų73.727%0.27338%0.382SS..  trans-69.3149178.869.20000112.1D465 E469 S470 H471D465-S467 VanDerWaalsContact CG-OG 3.3Å; D465-S467 WeakPolarHBondContact OD1-CB 3.43Å; D465-S467 PolarHBondContact OD1-N 3.3Å; D465-S467 PolarHBondContact OD1-OG 2.97Å; D465-S467 PolarHBondContact OD2-OG 3.12Å; S467-E469 WeakPolarHBondContact CB-OE2 3.47Å; S467-E469 PolarHBondContact O-N 3.04Å; S467-S470 WeakPolarHBondContact O-CB 3.3Å; S467-S470 PolarHBondContact O-N 2.92Å; S467-S470 WeakPolarHBondContact OG-CB 3.26Å; S467-S470 PolarHBondContact OG-N 3.3Å; S467-H471 PolarHBondContact O-N 3.37Å
468M74.5Confident81.1Confident120 Ų12073 Ų7359%0.59138%0.379SS*.Hα-helixtrans-66.4-31.5177.6-69.4-59.3-62.500111.3S470 H471 Q472M468-S470 VanDerWaalsContact C-N 3.33Å; M468-H471 PolarHBondContact O-N 3.11Å; M468-Q472 WeakPolarHBondContact O-CG 3.37Å; M468-Q472 PolarHBondContact O-N 3.36Å; M468-Q472 VanDerWaalsContact O-N 3.07Å
469E79.6Confident81.4Confident121 Ų12171.9 Ų71.957%0.56537%0.367SS*.Hα-helixtrans-65.6-34.5176-62.476.3-167.800111.9S467 R473S467-E469 WeakPolarHBondContact CB-OE2 3.47Å; S467-E469 PolarHBondContact O-N 3.04Å; E469-R473 WeakPolarHBondContact O-CG 3.23Å; E469-R473 PolarHBondContact O-NE 2.83Å; E469-R473 VanDerWaalsContact O-NE 3.12Å
470S80.3Confident81.6Confident11 Ų1170.2 Ų70.28%0.07735%0.352CS..Hα-helixtrans-62.7-48.8171.6-1430000111.1D465 S467 M468 Q472 R473 D474D465-S470 VanDerWaalsContact CG-CB 3.42Å; D465-S470 WeakPolarHBondContact OD2-CB 3.5Å; D465-S470 PolarHBondContact OD2-OG 2.96Å; S467-S470 WeakPolarHBondContact O-CB 3.3Å; S467-S470 PolarHBondContact O-N 2.92Å; S467-S470 WeakPolarHBondContact OG-CB 3.26Å; S467-S470 PolarHBondContact OG-N 3.3Å; M468-S470 VanDerWaalsContact C-N 3.33Å; S470-Q472 VanDerWaalsContact C-N 3.34Å; S470-Q472 PolarHBondContact O-N 3.12Å; S470-R473 PolarHBondContact O-N 2.98Å; S470-R473 VanDerWaalsContact O-N 3.11Å; S470-D474 PolarHBondContact O-N 3.17Å
471H78Confident81Confident37 Ų3769.9 Ų69.917%0.17135%0.349CS..Hα-helixtrans-62.2-39.2-177-169-74.6000112.7S467 M468 R473 D474 E676 K704S467-H471 PolarHBondContact O-N 3.37Å; M468-H471 PolarHBondContact O-N 3.11Å; H471-R473 PolarHBondContact O-N 3Å; H471-D474 PolarHBondContact O-N 3.47Å; H471-E676 IonicContact CE1-OE1 2.69Å; H471-E676 PolarHBondContact CE1-OE1 3.5Å; H471-E676 VanDerWaalsContact CE1-OE1 3.25Å; H471-E676 IonicContact NE2-OE1 3.7Å; H471-K704 PolarHBondContact CD2-NZ 2.81Å; H471-K704 VanDerWaalsContact CD2-NZ 3.32Å; H471-K704 PolarHBondContact CE1-NZ 3.47Å; H471-K704 PolarHBondContact NE2-NZ 3.13Å
472Q81.7Confident80.4Confident147 Ų14766.7 Ų66.769%0.68733%0.334SS*.Hα-helixtrans-66-25.7177.8-71.7174.713.600113M468 S470M468-Q472 WeakPolarHBondContact O-CG 3.37Å; M468-Q472 PolarHBondContact O-N 3.36Å; M468-Q472 VanDerWaalsContact O-N 3.07Å; S470-Q472 VanDerWaalsContact C-N 3.34Å; S470-Q472 PolarHBondContact O-N 3.12Å
473R85.3Confident79.5Confident120 Ų12073.6 Ų73.645%0.45336%0.358SS..Hα-helixtrans-86.2-9.6-179.2-69.9-177.8-66.1165.31.8113.9E469 S470 H471 H475 E476 N477E469-R473 WeakPolarHBondContact O-CG 3.23Å; E469-R473 PolarHBondContact O-NE 2.83Å; E469-R473 VanDerWaalsContact O-NE 3.12Å; S470-R473 PolarHBondContact O-N 2.98Å; S470-R473 VanDerWaalsContact O-N 3.11Å; H471-R473 PolarHBondContact O-N 3Å; R473-H475 VanDerWaalsContact C-N 3.34Å; R473-H475 PolarHBondContact O-N 3.07Å; R473-E476 PolarHBondContact O-N 3.23Å; R473-N477 WeakPolarHBondContact O-CB 3.36Å; R473-N477 PolarHBondContact O-N 2.68Å; R473-N477 PolarHBondContact O-ND2 3.05Å
474D84.9Confident78.8Confident5 Ų574.8 Ų74.83%0.02736%0.36CS..Hα-helixtrans-57.7-44.4-174.9-73.9-26.2000113S470 H471 N477 F478 L673 K704 R708S470-D474 PolarHBondContact O-N 3.17Å; H471-D474 PolarHBondContact O-N 3.47Å; D474-N477 PolarHBondContact O-N 2.98Å; D474-F478 WeakPolarHBondContact O-CB 3.35Å; D474-F478 PolarHBondContact O-N 2.83Å; D474-L673 HydrophobicContact CB-CD2 3.89Å; D474-K704 WeakPolarHBondContact OD2-CE 3.5Å; D474-K704 IonicContact OD2-NZ 3.31Å; D474-K704 PolarHBondContact OD2-NZ 3.33Å; D474-R708 WeakPolarHBondContact OD1-CD 3.44Å; D474-R708 IonicContact OD1-CZ 2.73Å; D474-R708 IonicContact OD1-NE 3.5Å; D474-R708 PolarHBondContact OD1-NE 3.32Å; D474-R708 IonicContact OD1-NH2 2.87Å; D474-R708 IonicContact OD2-CZ 3.2Å; D474-R708 IonicContact OD2-NE 3.07Å; D474-R708 PolarHBondContact OD2-NE 3.47Å; D474-R708 IonicContact OD2-NH2 2.78Å; D474-R708 PolarHBondContact OD2-NH2 3.01Å
475H82.3Confident78.1Confident86 Ų8676.6 Ų76.640%0.39836%0.364SS..Hα-helixtrans-70.5-38.7-179-159.388.5000112R473 F478 L479R473-H475 VanDerWaalsContact C-N 3.34Å; R473-H475 PolarHBondContact O-N 3.07Å; H475-F478 PolarHBondContact O-N 3.49Å; H475-L479 WeakPolarHBondContact O-CG 3.09Å; H475-L479 PolarHBondContact O-N 3.24Å
476E83.7Confident77.3Confident123 Ų12380.5 Ų80.558%0.57537%0.373SS*.Hα-helixtrans-64.6-45.5174.4-176.3177.6-162.700111.1R473 F478 L479 V480R473-E476 PolarHBondContact O-N 3.23Å; E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.45Å; E476-L479 PolarHBondContact O-N 2.7Å; E476-L479 VanDerWaalsContact O-N 3.15Å; E476-V480 WeakPolarHBondContact O-CG2 3.37Å; E476-V480 PolarHBondContact O-N 3.28Å
477N82.7Confident76.7Confident81 Ų8181.2 Ų81.243%0.43338%0.376SS..Hα-helixtrans-57.8-44.8175.3-72.3-27.7000111.2R473 D474 V480 V481R473-N477 WeakPolarHBondContact O-CB 3.36Å; R473-N477 PolarHBondContact O-N 2.68Å; R473-N477 PolarHBondContact O-ND2 3.05Å; D474-N477 PolarHBondContact O-N 2.98Å; N477-V480 PolarHBondContact O-N 3.06Å; N477-V481 WeakPolarHBondContact O-CB 3.45Å; N477-V481 WeakPolarHBondContact O-CG2 3.41Å; N477-V481 PolarHBondContact O-N 3.26Å
478F83.1Confident76.6Confident15 Ų1580.1 Ų80.17%0.06637%0.365CS..Hα-helixtrans-58.7-47.1174.5166.8-106.5000112.2D474 H475 E476 V480 V481 S482 V629 L630 P632 V670 L673D474-F478 WeakPolarHBondContact O-CB 3.35Å; D474-F478 PolarHBondContact O-N 2.83Å; H475-F478 PolarHBondContact O-N 3.49Å; E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.45Å; F478-V480 PolarHBondContact O-N 3.17Å; F478-V481 PolarHBondContact O-N 2.91Å; F478-S482 VanDerWaalsContact O-CB 3.24Å; F478-S482 WeakPolarHBondContact O-CB 3.29Å; F478-S482 PolarHBondContact O-N 2.96Å; F478-V629 HydrophobicContact CE1-CG1 3.65Å; F478-V629 HydrophobicContact CZ-CG1 3.81Å; F478-L630 WeakPolarHBondContact CE1-O 3.38Å; F478-L630 VanDerWaalsContact CZ-O 3.31Å; F478-L630 WeakPolarHBondContact CZ-O 3.46Å; F478-P632 HydrophobicContact CD1-CG 4.14Å; F478-P632 HydrophobicContact CE1-CG 4.06Å; F478-P632 HydrophobicContact CZ-CG 4.5Å; F478-V670 HydrophobicContact CD2-CG1 3.49Å; F478-V670 VanDerWaalsContact CD2-CG1 3.49Å; F478-V670 HydrophobicContact CE2-CG1 3.41Å; F478-V670 VanDerWaalsContact CE2-CG1 3.41Å; F478-V670 HydrophobicContact CZ-CG1 4.45Å; F478-L673 HydrophobicContact CB-CD1 3.75Å; F478-L673 HydrophobicContact CD2-CD1 4.24Å; F478-L673 HydrophobicContact CG-CD1 3.96Å
479L78.8Confident76.9Confident52 Ų5274.4 Ų74.427%0.27234%0.337SS..Hα-helixtrans-63.1-41.4178.7-70.6173.6000112.3H475 E476 R483 V629H475-L479 WeakPolarHBondContact O-CG 3.09Å; H475-L479 PolarHBondContact O-N 3.24Å; E476-L479 PolarHBondContact O-N 2.7Å; E476-L479 VanDerWaalsContact O-N 3.15Å; L479-R483 WeakPolarHBondContact O-CB 3.18Å; L479-R483 WeakPolarHBondContact O-CG 3.4Å; L479-R483 PolarHBondContact O-N 3.02Å; L479-V629 HydrophobicContact CD2-CB 4.17Å; L479-V629 HydrophobicContact CD2-CG1 3.92Å
480V76Confident77Confident73 Ų7369.7 Ų69.744%0.44232%0.315SS..Hα-helixtrans-63.4-44.4176.5170.80000110.8E476 N477 F478 N484E476-V480 WeakPolarHBondContact O-CG2 3.37Å; E476-V480 PolarHBondContact O-N 3.28Å; N477-V480 PolarHBondContact O-N 3.06Å; F478-V480 PolarHBondContact O-N 3.17Å; V480-N484 PolarHBondContact O-N 3.02Å; V480-N484 PolarHBondContact O-ND2 2.95Å
481V71.6Confident77.2Confident25 Ų2569.2 Ų69.215%0.15231%0.311CS..Hα-helixtrans-66.4-47.3178.7170.50000111.1N477 F478 R483 N484 R485 K546N477-V481 WeakPolarHBondContact O-CB 3.45Å; N477-V481 WeakPolarHBondContact O-CG2 3.41Å; N477-V481 PolarHBondContact O-N 3.26Å; F478-V481 PolarHBondContact O-N 2.91Å; V481-R483 VanDerWaalsContact C-N 3.33Å; V481-R483 PolarHBondContact O-N 3.48Å; V481-N484 PolarHBondContact O-N 3.26Å; V481-N484 VanDerWaalsContact O-N 3.12Å; V481-R485 PolarHBondContact O-N 2.93Å; V481-K546 HydrophobicContact CG1-CD 4.49Å; V481-K546 HydrophobicContact CG1-CG 3.62Å; V481-K546 HydrophobicContact CG2-CD 4.32Å; V481-K546 HydrophobicContact CG2-CG 4.21Å
482S69.8Low77.2Confident22 Ų2270.9 Ų70.915%0.15432%0.321CS..Hα-helixtrans-62.4-39.5-178.1-170.90000112.2F478 N484 R485 V629F478-S482 VanDerWaalsContact O-CB 3.24Å; F478-S482 WeakPolarHBondContact O-CB 3.29Å; F478-S482 PolarHBondContact O-N 2.96Å; S482-N484 VanDerWaalsContact C-N 3.28Å; S482-N484 PolarHBondContact O-N 3.47Å; S482-R485 PolarHBondContact O-N 2.73Å; S482-V629 WeakPolarHBondContact OG-CG1 3.47Å; S482-V629 WeakPolarHBondContact OG-CG2 3.24Å
483R69Low77.3Confident185 Ų18568 Ų6870%0.69831%0.31SS*.Hα-helixtrans-66.4-25.8175.5-74.9174.2179.61781.9114.2L479 V481 V629L479-R483 WeakPolarHBondContact O-CB 3.18Å; L479-R483 WeakPolarHBondContact O-CG 3.4Å; L479-R483 PolarHBondContact O-N 3.02Å; V481-R483 VanDerWaalsContact C-N 3.33Å; V481-R483 PolarHBondContact O-N 3.48Å; R483-V629 HydrophobicContact CG-CG2 4.06Å
484N66.5Low77.3Confident113 Ų11367.3 Ų67.360%0.60432%0.315SS*.THydrogen-bonded Turntrans-101.48.5-175.9-69.7-38000113.3V480 V481 S482 R486V480-N484 PolarHBondContact O-N 3.02Å; V480-N484 PolarHBondContact O-ND2 2.95Å; V481-N484 PolarHBondContact O-N 3.26Å; V481-N484 VanDerWaalsContact O-N 3.12Å; S482-N484 VanDerWaalsContact C-N 3.28Å; S482-N484 PolarHBondContact O-N 3.47Å; N484-R486 PolarHBondContact O-N 3.49Å
485R67.9Low77.7Confident66 Ų6668.3 Ų68.325%0.24932%0.32CS..  trans-62.4130.2176.3-71.8-179.4179.7-176.9-2.1110.1V481 S482 R544 E668V481-R485 PolarHBondContact O-N 2.93Å; S482-R485 PolarHBondContact O-N 2.73Å; R485-R544 PolarHBondContact NE-O 3.2Å; R485-R544 PolarHBondContact NH2-O 2.87Å; R485-E668 IonicContact CZ-OE2 3.26Å; R485-E668 IonicContact NH1-OE2 2.66Å; R485-E668 PolarHBondContact NH1-OE2 3.43Å; R485-E668 PolarHBondContact NH2-O 3.01Å; R485-E668 VanDerWaalsContact NH2-O 3.1Å; R485-E668 IonicContact NH2-OE2 3.19Å; R485-E668 PolarHBondContact NH2-OE2 3.04Å
486R66.3Low78Confident147 Ų14771.3 Ų71.356%0.55533%0.334SS*.  trans-108.6131174.1-61.2-171.3-177.8-171.4-0.2108.9N484 T512N484-R486 PolarHBondContact O-N 3.49Å; R486-T512 HydrophobicContact CB-CG2 3.96Å; R486-T512 HydrophobicContact CG-CG2 4.48Å
487R71.2Confident78.2Confident118 Ų11870.7 Ų70.745%0.44533%0.326SS..  trans-65.9141.4173-70.2-172.8172.7179.17.1109.1T512 I513 D624R487-T512 CarbonylContact O-C 3.47Å; R487-I513 HydrophobicContact CB-CB 3.97Å; R487-I513 HydrophobicContact CB-CD1 4.27Å; R487-I513 HydrophobicContact CB-CG1 4.47Å; R487-I513 PolarHBondContact O-N 3.41Å; R487-D624 IonicContact NH1-OD1 3.78Å; R487-D624 IonicContact NH2-OD1 3.8Å
488R76.4Confident78.2Confident16 Ų1673.7 Ų73.76%0.0634%0.337CS..EExtended strand (participates in β ladder)trans-133159.7178.9-75.7-176.7-72.8-113-0.2110.9I510 I511 L541 E543 S545 K546 E547 Y548R488-I510 HydrophobicContact CB-CG2 4.3Å; R488-I510 HydrophobicContact CG-CG2 4.43Å; R488-I511 CarbonylContact C-O 3.48Å; R488-I511 WeakPolarHBondContact CA-O 3.47Å; R488-L541 HydrophobicContact CB-CB 4.4Å; R488-L541 HydrophobicContact CB-CD1 4.36Å; R488-L541 PolarHBondContact O-N 3.11Å; R488-E543 IonicContact CZ-OE2 3.72Å; R488-E543 IonicContact NE-OE2 3.25Å; R488-E543 PolarHBondContact NE-OE2 3.4Å; R488-E543 IonicContact NH2-OE2 3.91Å; R488-E543 PolarHBondContact NH2-OE2 3.46Å; R488-S545 PolarHBondContact NH2-O 2.88Å; R488-K546 PolarHBondContact NH1-O 3.25Å; R488-K546 PolarHBondContact NH2-O 2.83Å; R488-K546 VanDerWaalsContact NH2-O 3.15Å; R488-E547 VanDerWaalsContact NH1-CA 3.33Å; R488-Y548 VanDerWaalsContact NH2-N 3.12Å
489A79.3Confident78.4Confident0 Ų077.7 Ų77.70%036%0.359CS..EExtended strand (participates in β ladder)trans-137.6143173.700000110.9I511 I513 V538 E539A489-I511 PolarHBondContact N-O 3.18Å; A489-I511 PolarHBondContact O-N 3.25Å; A489-I513 HydrophobicContact CB-CD1 3.85Å; A489-I513 HydrophobicContact CB-CG1 4.02Å; A489-V538 HydrophobicContact CB-CB 3.66Å; A489-V538 HydrophobicContact CB-CG1 4.37Å; A489-V538 HydrophobicContact CB-CG2 3.58Å; A489-E539 CarbonylContact C-O 3.34Å; A489-E539 WeakPolarHBondContact CA-O 3.42Å; A489-E539 WeakPolarHBondContact CB-O 3.32Å
490K81.9Confident78.5Confident22 Ų2282 Ų8210%0.09638%0.382CS..EExtended strand (participates in β ladder)trans-90.7127.1172.2-172.9172.9-175.71720109L492 N508 D509 I510 V538 E539 L541 S555K490-L492 PolarHBondContact O-N 3.47Å; K490-N508 VanDerWaalsContact CE-OD1 3.3Å; K490-N508 WeakPolarHBondContact CE-OD1 3.2Å; K490-D509 WeakPolarHBondContact CA-O 3.33Å; K490-I510 HydrophobicContact CB-CD1 4.19Å; K490-I510 HydrophobicContact CG-CD1 4.12Å; K490-V538 CarbonylContact O-C 3.59Å; K490-V538 WeakPolarHBondContact O-CA 3.22Å; K490-E539 PolarHBondContact N-O 2.74Å; K490-E539 PolarHBondContact O-N 2.9Å; K490-L541 HydrophobicContact CB-CD1 3.93Å; K490-L541 HydrophobicContact CB-CD2 3.89Å; K490-L541 HydrophobicContact CB-CG 3.9Å; K490-S555 PolarHBondContact NZ-OG 2.93Å
491A85.1Confident79.1Confident0 Ų082.9 Ų82.90%039%0.385CS..EExtended strand (participates in β ladder)trans-65.412217300000110.9F505 R506 N508 D509A491-F505 HydrophobicContact CB-CD2 3.29Å; A491-F505 HydrophobicContact CB-CE2 3.57Å; A491-F505 HydrophobicContact CB-CG 4.23Å; A491-R506 WeakPolarHBondContact CB-O 3.39Å; A491-N508 PolarHBondContact O-N 2.9Å; A491-D509 HydrophobicContact CB-CB 4.38Å; A491-D509 PolarHBondContact N-O 3.04Å
492L78.3Confident80Confident72 Ų7282.7 Ų82.738%0.37738%0.382SS..SBendtrans-84.7-23.2174.5-63.9178.1000112K490 K507 F537 E539K490-L492 PolarHBondContact O-N 3.47Å; L492-K507 WeakPolarHBondContact O-CD 3.39Å; L492-K507 WeakPolarHBondContact O-CE 3.49Å; L492-K507 WeakPolarHBondContact O-CG 3.42Å; L492-F537 PolarHBondContact N-O 3.48Å; L492-E539 HydrophobicContact CD1-CB 4.09Å; L492-E539 HydrophobicContact CD2-CB 3.86Å; L492-E539 HydrophobicContact CG-CB 4.01Å
493L83.1Confident81Confident87 Ų8781.8 Ų81.846%0.45538%0.376SS..SBendtrans-137.1162.5-175.3-61.4172.4000109.8F505 F537L493-F505 WeakPolarHBondContact O-CE2 3.47Å; L493-F537 HydrophobicContact CB-CD2 4.08Å; L493-F537 HydrophobicContact CB-CG 4.48Å; L493-F537 HydrophobicContact CD1-CD1 4.27Å; L493-F537 HydrophobicContact CD1-CD2 4.23Å; L493-F537 HydrophobicContact CD1-CE1 4.39Å; L493-F537 HydrophobicContact CD1-CE2 4.36Å; L493-F537 HydrophobicContact CD1-CG 4.19Å; L493-F537 HydrophobicContact CD1-CZ 4.44Å
494D86.2Confident82Confident105 Ų10574.3 Ų74.356%0.56136%0.356SS*.  trans-74.4141166.6-59.2-30.6000109.4R506 K507D494-R506 VanDerWaalsContact OD1-CA 3.31Å; D494-R506 WeakPolarHBondContact OD1-CA 3.48Å; D494-K507 WeakPolarHBondContact OD1-CB 3.34Å; D494-K507 PolarHBondContact OD1-N 3.08Å
495F92.6Very high83.1Confident27 Ų2769.4 Ų69.412%0.11833%0.329CS..BIsolated β-bridgetrans-132.8108.8172.5-176.8-116.3000108.7E502 L503 G504 F505 W532 F533 P534 F537F495-E502 HydrophobicContact CE1-CB 4.31Å; F495-E502 HydrophobicContact CE1-CG 4.5Å; F495-E502 HydrophobicContact CZ-CG 4.38Å; F495-L503 VanDerWaalsContact CD1-O 3.27Å; F495-L503 WeakPolarHBondContact CD1-O 3.28Å; F495-G504 CarbonylContact O-C 3.4Å; F495-G504 WeakPolarHBondContact O-CA 3.5Å; F495-F505 HydrophobicContact CB-CD1 4.15Å; F495-F505 HydrophobicContact CB-CD2 3.98Å; F495-F505 HydrophobicContact CB-CE1 3.72Å; F495-F505 HydrophobicContact CB-CE2 3.55Å; F495-F505 HydrophobicContact CB-CG 4.28Å; F495-F505 HydrophobicContact CB-CZ 3.41Å; F495-F505 VanDerWaalsContact CB-CZ 3.41Å; F495-F505 HydrophobicContact CD1-CD1 4.28Å; F495-F505 AromaticContact CD1-CE1 3.75Å; F495-F505 HydrophobicContact CD1-CE1 3.75Å; F495-F505 HydrophobicContact CD1-CZ 4.18Å; F495-F505 HydrophobicContact CG-CE1 4.09Å; F495-F505 HydrophobicContact CG-CZ 4.05Å; F495-F505 PolarHBondContact N-O 2.95Å; F495-F505 PolarHBondContact O-N 2.93Å; F495-W532 HydrophobicContact CZ-CH2 4.38Å; F495-W532 HydrophobicContact CZ-CZ3 4.43Å; F495-F533 HydrophobicContact CD1-CB 4.3Å; F495-F533 HydrophobicContact CE1-CB 4.29Å; F495-P534 HydrophobicContact CD2-CG 4.22Å; F495-P534 HydrophobicContact CE2-CG 3.85Å; F495-P534 HydrophobicContact CZ-CG 4.18Å; F495-F537 HydrophobicContact CB-CD2 4.17Å; F495-F537 HydrophobicContact CD2-CD2 4.13Å; F495-F537 HydrophobicContact CD2-CE2 4.08Å; F495-F537 HydrophobicContact CG-CD2 4.48Å
496E88.8Confident84.1Confident148 Ų14875.1 Ų75.169%0.69235%0.351SS*.  trans-82.1130.3179.1-71.5-174.4166.800110.4H498E496-H498 PolarHBondContact O-CE1 3.43Å; E496-H498 PolarHBondContact O-N 2.87Å; E496-H498 PolarHBondContact O-ND1 3.41Å
497R87.4Confident84.7Confident111 Ų11174 Ų7442%0.41935%0.35SS..  trans-73.3122.3174.6-178.1178.8-177.7-154.4-0.1109.8D499 D500 E502R497-D499 WeakPolarHBondContact CG-O 3.49Å; R497-D499 PolarHBondContact NE-O 3.13Å; R497-D500 IonicContact CZ-OD1 2.64Å; R497-D500 VanDerWaalsContact NH2-CA 3.27Å; R497-D500 PolarHBondContact NH2-O 3.32Å; R497-D500 IonicContact NH2-OD1 2.8Å; R497-D500 PolarHBondContact NH2-OD1 3.21Å; R497-E502 WeakPolarHBondContact CD-O 3.22Å; R497-E502 HydrophobicContact CG-CB 4.03Å; R497-E502 WeakPolarHBondContact CG-O 3.42Å; R497-E502 PolarHBondContact NE-O 3.47Å; R497-E502 VanDerWaalsContact NE-O 3.13Å
498H82.7Confident84.9Confident143 Ų14372.6 Ų72.666%0.66235%0.351SS*.  trans-107.8-36174.5-66.676.7000111.7E496 E502E496-H498 PolarHBondContact O-CE1 3.43Å; E496-H498 PolarHBondContact O-N 2.87Å; E496-H498 PolarHBondContact O-ND1 3.41Å; H498-E502 PolarHBondContact N-OE2 3.33Å
499D86.9Confident85.1Confident100 Ų10074.4 Ų74.454%0.53536%0.362SS..SBendtrans-114.3164.3-179.5-72.3-43000113.2R497 D501 E502R497-D499 WeakPolarHBondContact CG-O 3.49Å; R497-D499 PolarHBondContact NE-O 3.13Å; D499-D501 VanDerWaalsContact C-N 3.28Å; D499-D501 VanDerWaalsContact CB-OD1 3.31Å; D499-D501 WeakPolarHBondContact CB-OD1 3.48Å; D499-D501 PolarHBondContact O-N 2.8Å; D499-E502 HydrophobicContact CB-CG 4.37Å; D499-E502 PolarHBondContact N-OE2 3.32Å; D499-E502 PolarHBondContact O-N 3.36Å
500D82.7Confident85.1Confident141 Ų14175.7 Ų75.775%0.75437%0.369SS*.THydrogen-bonded Turntrans-71.3-22.7-173.2-90.8-33000114.2R497R497-D500 IonicContact CZ-OD1 2.64Å; R497-D500 VanDerWaalsContact NH2-CA 3.27Å; R497-D500 PolarHBondContact NH2-O 3.32Å; R497-D500 IonicContact NH2-OD1 2.8Å; R497-D500 PolarHBondContact NH2-OD1 3.21Å
501D88.2Confident85.2Confident92 Ų9274.7 Ų74.749%0.49236%0.364SS..THydrogen-bonded Turntrans-90.2-8.1178.363.8-35.9000113.5D499 G531 W532D499-D501 VanDerWaalsContact C-N 3.28Å; D499-D501 VanDerWaalsContact CB-OD1 3.31Å; D499-D501 WeakPolarHBondContact CB-OD1 3.48Å; D499-D501 PolarHBondContact O-N 2.8Å; D501-G531 CarbonylContact O-C 3.41Å; D501-G531 WeakPolarHBondContact O-CA 3.3Å; D501-W532 PolarHBondContact O-N 3.2Å; D501-W532 PolarHBondContact OD2-NE1 3.38Å
502E89.3Confident85Confident22 Ų2276 Ų7610%0.10337%0.373CS..BIsolated β-bridgetrans-84.5143.1176.5-73.4-179.8162.300112.6F495 R497 H498 D499 W532F495-E502 HydrophobicContact CE1-CB 4.31Å; F495-E502 HydrophobicContact CE1-CG 4.5Å; F495-E502 HydrophobicContact CZ-CG 4.38Å; R497-E502 WeakPolarHBondContact CD-O 3.22Å; R497-E502 HydrophobicContact CG-CB 4.03Å; R497-E502 WeakPolarHBondContact CG-O 3.42Å; R497-E502 PolarHBondContact NE-O 3.47Å; R497-E502 VanDerWaalsContact NE-O 3.13Å; H498-E502 PolarHBondContact N-OE2 3.33Å; D499-E502 HydrophobicContact CB-CG 4.37Å; D499-E502 PolarHBondContact N-OE2 3.32Å; D499-E502 PolarHBondContact O-N 3.36Å; E502-W532 HydrophobicContact CG-CD2 4.34Å; E502-W532 VanDerWaalsContact CG-CE2 3.49Å; E502-W532 HydrophobicContact CG-CH2 4.24Å; E502-W532 HydrophobicContact CG-CZ2 3.44Å; E502-W532 VanDerWaalsContact CG-CZ2 3.44Å; E502-W532 VanDerWaalsContact OE1-CZ2 3.25Å; E502-W532 WeakPolarHBondContact OE1-CZ2 3.49Å
503L92.1Very high85.2Confident3 Ų373.1 Ų73.12%0.01636%0.358CS..  trans-101.7101.1172.9-17571.1000110.6F495 F505 I511 L526 L529 W532 F533F495-L503 VanDerWaalsContact CD1-O 3.27Å; F495-L503 WeakPolarHBondContact CD1-O 3.28Å; L503-F505 WeakPolarHBondContact O-CD1 3.39Å; L503-F505 WeakPolarHBondContact O-CE1 3.27Å; L503-I511 HydrophobicContact CD2-CG2 3.56Å; L503-L526 HydrophobicContact CD1-CB 4.16Å; L503-L526 HydrophobicContact CD2-CB 4.19Å; L503-L526 HydrophobicContact CG-CB 4.44Å; L503-L529 HydrophobicContact CD1-CB 4.04Å; L503-L529 WeakPolarHBondContact CD1-O 3.36Å; L503-W532 PolarHBondContact N-O 3.3Å; L503-F533 HydrophobicContact CB-CD1 4.48Å; L503-F533 HydrophobicContact CD2-CD1 4.07Å; L503-F533 HydrophobicContact CD2-CE1 4.46Å
504G88.8Confident85Confident27 Ų2772.1 Ų72.128%0.27835%0.352SS..  trans-76142.5175.500000113.3F495F495-G504 CarbonylContact O-C 3.4Å; F495-G504 WeakPolarHBondContact O-CA 3.5Å
505F91.2Very high84.7Confident10 Ų1068.9 Ų68.94%0.04434%0.337CS..BIsolated β-bridgetrans-154.3163.5179.853.3-99.3000111.9A491 L493 F495 L503 D509 I511 L526 F533 F537 V538A491-F505 HydrophobicContact CB-CD2 3.29Å; A491-F505 HydrophobicContact CB-CE2 3.57Å; A491-F505 HydrophobicContact CB-CG 4.23Å; L493-F505 WeakPolarHBondContact O-CE2 3.47Å; F495-F505 HydrophobicContact CB-CD1 4.15Å; F495-F505 HydrophobicContact CB-CD2 3.98Å; F495-F505 HydrophobicContact CB-CE1 3.72Å; F495-F505 HydrophobicContact CB-CE2 3.55Å; F495-F505 HydrophobicContact CB-CG 4.28Å; F495-F505 HydrophobicContact CB-CZ 3.41Å; F495-F505 VanDerWaalsContact CB-CZ 3.41Å; F495-F505 HydrophobicContact CD1-CD1 4.28Å; F495-F505 AromaticContact CD1-CE1 3.75Å; F495-F505 HydrophobicContact CD1-CE1 3.75Å; F495-F505 HydrophobicContact CD1-CZ 4.18Å; F495-F505 HydrophobicContact CG-CE1 4.09Å; F495-F505 HydrophobicContact CG-CZ 4.05Å; F495-F505 PolarHBondContact N-O 2.95Å; F495-F505 PolarHBondContact O-N 2.93Å; L503-F505 WeakPolarHBondContact O-CD1 3.39Å; L503-F505 WeakPolarHBondContact O-CE1 3.27Å; F505-D509 HydrophobicContact CB-CB 4.02Å; F505-I511 HydrophobicContact CB-CD1 4.26Å; F505-I511 HydrophobicContact CD1-CD1 3.33Å; F505-I511 HydrophobicContact CD1-CG1 4.24Å; F505-I511 HydrophobicContact CD2-CD1 4.11Å; F505-I511 HydrophobicContact CE1-CD1 3.51Å; F505-I511 HydrophobicContact CE2-CD1 4.25Å; F505-I511 HydrophobicContact CG-CD1 3.65Å; F505-I511 HydrophobicContact CG-CG1 4.4Å; F505-I511 HydrophobicContact CZ-CD1 3.97Å; F505-L526 HydrophobicContact CB-CD2 3.67Å; F505-F533 HydrophobicContact CE1-CB 3.54Å; F505-F533 HydrophobicContact CE1-CD2 4.17Å; F505-F533 AromaticContact CE1-CG 3.9Å; F505-F533 HydrophobicContact CE1-CG 3.9Å; F505-F533 HydrophobicContact CZ-CB 4.25Å; F505-F533 HydrophobicContact CZ-CD2 4.42Å; F505-F537 HydrophobicContact CE2-CB 4.39Å; F505-F537 HydrophobicContact CZ-CB 4.11Å; F505-V538 HydrophobicContact CE2-CG1 4.3Å; F505-V538 HydrophobicContact CZ-CG1 3.93Å
506R87.3Confident83.9Confident187 Ų18770 Ų7071%0.70634%0.343SS*.  trans-103.2157.8172.6-65.6-175.6177.3-178.2-0.8111.1A491 D494 N508 D509A491-R506 WeakPolarHBondContact CB-O 3.39Å; D494-R506 VanDerWaalsContact OD1-CA 3.31Å; D494-R506 WeakPolarHBondContact OD1-CA 3.48Å; R506-N508 PolarHBondContact O-N 3.49Å; R506-D509 PolarHBondContact N-OD2 3.49Å; R506-D509 WeakPolarHBondContact O-CB 3.3Å; R506-D509 PolarHBondContact O-N 3.39Å
507K80.4Confident83.2Confident122 Ų12272.4 Ų72.453%0.5335%0.351SS..THydrogen-bonded Turntrans-51.3132.7170.7-178.8175.6-177-177.20109.8L492 D494 D509L492-K507 WeakPolarHBondContact O-CD 3.39Å; L492-K507 WeakPolarHBondContact O-CE 3.49Å; L492-K507 WeakPolarHBondContact O-CG 3.42Å; D494-K507 WeakPolarHBondContact OD1-CB 3.34Å; D494-K507 PolarHBondContact OD1-N 3.08Å; K507-D509 VanDerWaalsContact C-N 3.32Å
508N75.5Confident82.6Confident90 Ų9071.1 Ų71.148%0.48135%0.352SS..THydrogen-bonded Turntrans75.10.8-172.4-50.3-48.9000116.5K490 A491 R506K490-N508 VanDerWaalsContact CE-OD1 3.3Å; K490-N508 WeakPolarHBondContact CE-OD1 3.2Å; A491-N508 PolarHBondContact O-N 2.9Å; R506-N508 PolarHBondContact O-N 3.49Å
509D80.2Confident82.3Confident53 Ų5371.5 Ų71.528%0.28336%0.355SS..  trans-64.7150.1169.1-76.4-14.7000110.9K490 A491 F505 R506 K507 L526K490-D509 WeakPolarHBondContact CA-O 3.33Å; A491-D509 HydrophobicContact CB-CB 4.38Å; A491-D509 PolarHBondContact N-O 3.04Å; F505-D509 HydrophobicContact CB-CB 4.02Å; R506-D509 PolarHBondContact N-OD2 3.49Å; R506-D509 WeakPolarHBondContact O-CB 3.3Å; R506-D509 PolarHBondContact O-N 3.39Å; K507-D509 VanDerWaalsContact C-N 3.32Å; D509-L526 HydrophobicContact CB-CD1 4.47Å; D509-L526 HydrophobicContact CB-CD2 4Å
510I79.8Confident81.8Confident28 Ų2872.1 Ų72.114%0.14435%0.354CS..EExtended strand (participates in β ladder)trans-111.8107.8-174.9-52.7-70.5000108.8R488 K490 L526 L541 Y548R488-I510 HydrophobicContact CB-CG2 4.3Å; R488-I510 HydrophobicContact CG-CG2 4.43Å; K490-I510 HydrophobicContact CB-CD1 4.19Å; K490-I510 HydrophobicContact CG-CD1 4.12Å; I510-L526 VanDerWaalsContact O-CD1 3.31Å; I510-L526 WeakPolarHBondContact O-CD1 3.48Å; I510-L541 HydrophobicContact CD1-CD1 3.56Å; I510-L541 HydrophobicContact CG2-CD1 3.93Å; I510-Y548 HydrophobicContact CB-CD1 4.24Å; I510-Y548 HydrophobicContact CB-CE1 4.38Å; I510-Y548 HydrophobicContact CD1-CD1 4.42Å; I510-Y548 HydrophobicContact CD1-CE1 3.9Å; I510-Y548 HydrophobicContact CD1-CE2 3.99Å; I510-Y548 HydrophobicContact CG1-CD1 3.81Å; I510-Y548 HydrophobicContact CG1-CE1 3.47Å; I510-Y548 VanDerWaalsContact CG1-CE1 3.47Å; I510-Y548 HydrophobicContact CG1-CE2 4.4Å; I510-Y548 HydrophobicContact CG1-CG 4.4Å; I510-Y548 HydrophobicContact CG2-CD1 4.02Å; I510-Y548 HydrophobicContact CG2-CD2 4.42Å; I510-Y548 HydrophobicContact CG2-CG 3.95Å
511I82.8Confident81.9Confident0 Ų068 Ų680%034%0.336CS..EExtended strand (participates in β ladder)trans-98.1128.9-173-56.6162000108.8R488 A489 L503 F505 I513 F533 V538R488-I511 CarbonylContact C-O 3.48Å; R488-I511 WeakPolarHBondContact CA-O 3.47Å; A489-I511 PolarHBondContact N-O 3.18Å; A489-I511 PolarHBondContact O-N 3.25Å; L503-I511 HydrophobicContact CD2-CG2 3.56Å; F505-I511 HydrophobicContact CB-CD1 4.26Å; F505-I511 HydrophobicContact CD1-CD1 3.33Å; F505-I511 HydrophobicContact CD1-CG1 4.24Å; F505-I511 HydrophobicContact CD2-CD1 4.11Å; F505-I511 HydrophobicContact CE1-CD1 3.51Å; F505-I511 HydrophobicContact CE2-CD1 4.25Å; F505-I511 HydrophobicContact CG-CD1 3.65Å; F505-I511 HydrophobicContact CG-CG1 4.4Å; F505-I511 HydrophobicContact CZ-CD1 3.97Å; I511-I513 PolarHBondContact O-N 2.98Å; I511-F533 HydrophobicContact CD1-CD2 4.48Å; I511-F533 HydrophobicContact CD1-CE2 4.46Å; I511-F533 HydrophobicContact CG2-CD1 4.21Å; I511-F533 HydrophobicContact CG2-CE1 3.56Å; I511-F533 HydrophobicContact CG2-CZ 3.92Å; I511-V538 HydrophobicContact CD1-CG1 3.81Å
512T81.3Confident81.9Confident29 Ų2965 Ų6518%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-77.1114.2170.5-60.40000109.3R486 R487 I514 G524 E525R486-T512 HydrophobicContact CB-CG2 3.96Å; R486-T512 HydrophobicContact CG-CG2 4.48Å; R487-T512 CarbonylContact O-C 3.47Å; T512-I514 PolarHBondContact O-N 2.92Å; T512-G524 CarbonylContact O-C 3.28Å; T512-G524 WeakPolarHBondContact O-CA 3.49Å; T512-E525 PolarHBondContact N-O 3.22Å; T512-E525 PolarHBondContact O-N 2.97Å
513I81.4Confident81.8Confident11 Ų1166 Ų666%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-77.8120.3178.2-48.4177.1000109.1R487 A489 I511 Q516 W522 I540R487-I513 HydrophobicContact CB-CB 3.97Å; R487-I513 HydrophobicContact CB-CD1 4.27Å; R487-I513 HydrophobicContact CB-CG1 4.47Å; R487-I513 PolarHBondContact O-N 3.41Å; A489-I513 HydrophobicContact CB-CD1 3.85Å; A489-I513 HydrophobicContact CB-CG1 4.02Å; I511-I513 PolarHBondContact O-N 2.98Å; I513-Q516 HydrophobicContact CG2-CG 3.45Å; I513-Q516 VanDerWaalsContact CG2-CG 3.45Å; I513-W522 HydrophobicContact CD1-CE3 4Å; I513-W522 HydrophobicContact CD1-CZ3 4.07Å; I513-I540 HydrophobicContact CD1-CG1 4.41Å
514I80.3Confident81.7Confident65 Ų6565.9 Ų65.933%0.33333%0.325SS..EExtended strand (participates in β ladder)trans-95.5-35176.7-62.6173000110.9T512 V523 E525 R530T512-I514 PolarHBondContact O-N 2.92Å; I514-V523 WeakPolarHBondContact CA-O 3.2Å; I514-V523 HydrophobicContact CB-CG1 4.44Å; I514-V523 PolarHBondContact N-O 3.19Å; I514-E525 HydrophobicContact CD1-CB 3.82Å; I514-R530 HydrophobicContact CD1-CG 3.87Å
515S78.9Confident81.5Confident37 Ų3767.7 Ų67.726%0.25933%0.326SS..EExtended strand (participates in β ladder)trans-150.8136.3179-164.70000112.7K517 W522 V523S515-K517 WeakPolarHBondContact OG-CG 3.31Å; S515-W522 WeakPolarHBondContact O-CA 3.09Å; S515-V523 PolarHBondContact N-O 3.26Å; S515-V523 PolarHBondContact O-N 3.15Å
516Q77Confident81.2Confident50 Ų5068.2 Ų68.223%0.23433%0.329CS..  trans-12025.6173.9-59.5-177.8-54.300111.8I513 D518 W522I513-Q516 HydrophobicContact CG2-CG 3.45Å; I513-Q516 VanDerWaalsContact CG2-CG 3.45Å; Q516-D518 PolarHBondContact O-N 3.05Å; Q516-D518 VanDerWaalsContact O-N 3.15Å; Q516-W522 HydrophobicContact CG-CD2 3.96Å; Q516-W522 HydrophobicContact CG-CE3 4.45Å; Q516-W522 HydrophobicContact CG-CG 4.14Å
517K73.8Confident80.9Confident200 Ų20066.5 Ų66.587%0.8733%0.334SS*.  trans-61.2-23.5-177.9-74.9-177.9176.8-175.30113.2S515S515-K517 WeakPolarHBondContact OG-CG 3.31Å
518D74.8Confident80.7Confident83 Ų8363.6 Ų63.644%0.44434%0.338SS..SBendtrans-108.9138.9178-175-72.5000109.9Q516 H520 C521 W522Q516-D518 PolarHBondContact O-N 3.05Å; Q516-D518 VanDerWaalsContact O-N 3.15Å; D518-H520 VanDerWaalsContact C-N 3.25Å; D518-H520 PolarHBondContact O-N 3.13Å; D518-H520 WeakPolarHBondContact OD1-CA 3.32Å; D518-H520 PolarHBondContact OD1-N 3.15Å; D518-C521 WeakPolarHBondContact CB-O 3.43Å; D518-C521 PolarHBondContact OD1-N 3.11Å; D518-W522 PolarHBondContact O-NE1 2.96Å
519E74.7Confident81.1Confident152 Ų15264 Ų6471%0.7134%0.34SS*.SBendtrans-73.1-15.3-176.5-69.1-163.7148.500113.8
520H77.1Confident81.6Confident112 Ų11269.1 Ų69.152%0.51936%0.355SS..SBendtrans-121.5-31.3-170.8-63.6-16.8000113D518 P534 A535D518-H520 VanDerWaalsContact C-N 3.25Å; D518-H520 PolarHBondContact O-N 3.13Å; D518-H520 WeakPolarHBondContact OD1-CA 3.32Å; D518-H520 PolarHBondContact OD1-N 3.15Å; H520-P534 CarbonylContact O-C 3.45Å; H520-P534 WeakPolarHBondContact O-CA 3.39Å; H520-A535 PolarHBondContact O-N 3.25Å
521C85.7Confident82.1Confident55 Ų5568 Ų6837%0.37235%0.351SS..EExtended strand (participates in β ladder)trans-124.7106.9-178.2-68.70000111.4D518 W532 F533D518-C521 WeakPolarHBondContact CB-O 3.43Å; D518-C521 PolarHBondContact OD1-N 3.11Å; C521-W532 HydrophobicContact CB-CE3 4.13Å; C521-F533 WeakPolarHBondContact CA-O 3.4Å
522W88.7Confident82.6Confident28 Ų2871.5 Ų71.511%0.10637%0.365CS..EExtended strand (participates in β ladder)trans-94.8154.5177.9-65.2-10.1000111.2I513 S515 Q516 D518 W532 F533 A535 V538 I540I513-W522 HydrophobicContact CD1-CE3 4Å; I513-W522 HydrophobicContact CD1-CZ3 4.07Å; S515-W522 WeakPolarHBondContact O-CA 3.09Å; Q516-W522 HydrophobicContact CG-CD2 3.96Å; Q516-W522 HydrophobicContact CG-CE3 4.45Å; Q516-W522 HydrophobicContact CG-CG 4.14Å; D518-W522 PolarHBondContact O-NE1 2.96Å; W522-W532 CarbonylContact O-C 3.59Å; W522-W532 WeakPolarHBondContact O-CA 3.45Å; W522-F533 HydrophobicContact CB-CE1 4.11Å; W522-F533 HydrophobicContact CB-CE2 3.93Å; W522-F533 HydrophobicContact CB-CZ 3.71Å; W522-F533 AromaticContact CE3-CE2 3.93Å; W522-F533 HydrophobicContact CE3-CE2 3.93Å; W522-F533 HydrophobicContact CE3-CZ 4.14Å; W522-F533 PolarHBondContact N-O 3.14Å; W522-F533 PolarHBondContact O-N 3.32Å; W522-A535 HydrophobicContact CD2-CB 3.71Å; W522-A535 HydrophobicContact CE3-CB 4.23Å; W522-A535 HydrophobicContact CG-CB 4.11Å; W522-A535 HydrophobicContact CH2-CB 4.09Å; W522-A535 HydrophobicContact CZ2-CB 3.61Å; W522-A535 HydrophobicContact CZ3-CB 4.4Å; W522-V538 HydrophobicContact CE3-CG2 3.87Å; W522-V538 HydrophobicContact CZ3-CG2 3.55Å; W522-I540 HydrophobicContact CH2-CD1 3.48Å; W522-I540 VanDerWaalsContact CH2-CD1 3.48Å; W522-I540 HydrophobicContact CH2-CG1 3.41Å; W522-I540 VanDerWaalsContact CH2-CG1 3.41Å; W522-I540 HydrophobicContact CZ2-CD1 4.19Å; W522-I540 HydrophobicContact CZ3-CD1 4.08Å; W522-I540 HydrophobicContact CZ3-CG1 3.55Å
523V87Confident83Confident45 Ų4570.1 Ų70.127%0.27336%0.356SS..EExtended strand (participates in β ladder)trans-104.1131.4172.9-178.60000108.4I514 S515 R530 G531 W532I514-V523 WeakPolarHBondContact CA-O 3.2Å; I514-V523 HydrophobicContact CB-CG1 4.44Å; I514-V523 PolarHBondContact N-O 3.19Å; S515-V523 PolarHBondContact N-O 3.26Å; S515-V523 PolarHBondContact O-N 3.15Å; V523-R530 HydrophobicContact CG1-CG 4.23Å; V523-G531 WeakPolarHBondContact CA-O 3.26Å; V523-W532 HydrophobicContact CG2-CB 4.49Å
524G88.4Confident83.5Confident0 Ų070.8 Ų70.80%036%0.361CS..EExtended strand (participates in β ladder)trans-147.3-176.5176.100000114.4T512 R530 G531T512-G524 CarbonylContact O-C 3.28Å; T512-G524 WeakPolarHBondContact O-CA 3.49Å; G524-R530 VanDerWaalsContact O-CA 3.3Å; G524-R530 WeakPolarHBondContact O-CA 3.44Å; G524-R530 WeakPolarHBondContact O-CG 3.28Å; G524-G531 PolarHBondContact N-O 3.13Å; G524-G531 PolarHBondContact O-N 3.43Å; G524-G531 VanDerWaalsContact O-N 3.1Å
525E85.9Confident83.6Confident64 Ų6468.2 Ų68.230%0.29935%0.349SS..EExtended strand (participates in β ladder)trans-135.2133.2-176.8-179.4-175169.300110.7T512 I514 L529T512-E525 PolarHBondContact N-O 3.22Å; T512-E525 PolarHBondContact O-N 2.97Å; I514-E525 HydrophobicContact CD1-CB 3.82Å; E525-L529 CarbonylContact C-O 3.47Å; E525-L529 WeakPolarHBondContact CA-O 3.15Å
526L84.8Confident84Confident22 Ų2274.5 Ų74.512%0.11537%0.372CS..EExtended strand (participates in β ladder)trans-141.8127.1175.917967000108.6L503 F505 D509 I510 G528 L529L503-L526 HydrophobicContact CD1-CB 4.16Å; L503-L526 HydrophobicContact CD2-CB 4.19Å; L503-L526 HydrophobicContact CG-CB 4.44Å; F505-L526 HydrophobicContact CB-CD2 3.67Å; D509-L526 HydrophobicContact CB-CD1 4.47Å; D509-L526 HydrophobicContact CB-CD2 4Å; I510-L526 VanDerWaalsContact O-CD1 3.31Å; I510-L526 WeakPolarHBondContact O-CD1 3.48Å; L526-G528 PolarHBondContact O-N 3.47Å; L526-G528 VanDerWaalsContact O-N 3.16Å; L526-L529 PolarHBondContact N-O 2.91Å; L526-L529 WeakPolarHBondContact O-CB 3.32Å; L526-L529 PolarHBondContact O-N 3.26Å
527N80.2Confident84.5Confident151 Ų15175.3 Ų75.381%0.80738%0.375SS*.THydrogen-bonded Turntrans52.534.6-178.8-61.3-36.2000114.4L529N527-L529 PolarHBondContact O-N 3.37Å
528G77.5Confident84.9Confident60 Ų6066.3 Ų66.362%0.61934%0.336SS*.THydrogen-bonded Turntrans76.6-1.4-178.200000115L526L526-G528 PolarHBondContact O-N 3.47Å; L526-G528 VanDerWaalsContact O-N 3.16Å
529L82.9Confident85.1Confident100 Ų10067.6 Ų67.652%0.52434%0.34SS..EExtended strand (participates in β ladder)trans-88.8137169.8-64.7172.4000109.1L503 E525 L526 N527L503-L529 HydrophobicContact CD1-CB 4.04Å; L503-L529 WeakPolarHBondContact CD1-O 3.36Å; E525-L529 CarbonylContact C-O 3.47Å; E525-L529 WeakPolarHBondContact CA-O 3.15Å; L526-L529 PolarHBondContact N-O 2.91Å; L526-L529 WeakPolarHBondContact O-CB 3.32Å; L526-L529 PolarHBondContact O-N 3.26Å; N527-L529 PolarHBondContact O-N 3.37Å
530R90.9Very high85Confident159 Ų15964.1 Ų64.160%0.633%0.325SS*.EExtended strand (participates in β ladder)trans-123134.4-180-179.9175.7176.8-177.8-2109.8I514 V523 G524I514-R530 HydrophobicContact CD1-CG 3.87Å; V523-R530 HydrophobicContact CG1-CG 4.23Å; G524-R530 VanDerWaalsContact O-CA 3.3Å; G524-R530 WeakPolarHBondContact O-CA 3.44Å; G524-R530 WeakPolarHBondContact O-CG 3.28Å
531G90Very high84.5Confident6 Ų659.6 Ų59.66%0.06231%0.305CS..EExtended strand (participates in β ladder)trans-170.1177179.600000111.8D501 V523 G524D501-G531 CarbonylContact O-C 3.41Å; D501-G531 WeakPolarHBondContact O-CA 3.3Å; V523-G531 WeakPolarHBondContact CA-O 3.26Å; G524-G531 PolarHBondContact N-O 3.13Å; G524-G531 PolarHBondContact O-N 3.43Å; G524-G531 VanDerWaalsContact O-N 3.1Å
532W92.8Very high83Confident73 Ų7362.2 Ų62.228%0.27732%0.315SS..EExtended strand (participates in β ladder)trans-87.2155.4173.973.5-93000111.6F495 D501 E502 L503 C521 W522 V523 P534F495-W532 HydrophobicContact CZ-CH2 4.38Å; F495-W532 HydrophobicContact CZ-CZ3 4.43Å; D501-W532 PolarHBondContact O-N 3.2Å; D501-W532 PolarHBondContact OD2-NE1 3.38Å; E502-W532 HydrophobicContact CG-CD2 4.34Å; E502-W532 VanDerWaalsContact CG-CE2 3.49Å; E502-W532 HydrophobicContact CG-CH2 4.24Å; E502-W532 HydrophobicContact CG-CZ2 3.44Å; E502-W532 VanDerWaalsContact CG-CZ2 3.44Å; E502-W532 VanDerWaalsContact OE1-CZ2 3.25Å; E502-W532 WeakPolarHBondContact OE1-CZ2 3.49Å; L503-W532 PolarHBondContact N-O 3.3Å; C521-W532 HydrophobicContact CB-CE3 4.13Å; W522-W532 CarbonylContact O-C 3.59Å; W522-W532 WeakPolarHBondContact O-CA 3.45Å; V523-W532 HydrophobicContact CG2-CB 4.49Å; W532-P534 HydrophobicContact CZ3-CG 4.27Å
533F90.9Very high81.4Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-151.6157.7174.161.6-88.1000112.8F495 L503 F505 I511 C521 W522 A535 V538F495-F533 HydrophobicContact CD1-CB 4.3Å; F495-F533 HydrophobicContact CE1-CB 4.29Å; L503-F533 HydrophobicContact CB-CD1 4.48Å; L503-F533 HydrophobicContact CD2-CD1 4.07Å; L503-F533 HydrophobicContact CD2-CE1 4.46Å; F505-F533 HydrophobicContact CE1-CB 3.54Å; F505-F533 HydrophobicContact CE1-CD2 4.17Å; F505-F533 AromaticContact CE1-CG 3.9Å; F505-F533 HydrophobicContact CE1-CG 3.9Å; F505-F533 HydrophobicContact CZ-CB 4.25Å; F505-F533 HydrophobicContact CZ-CD2 4.42Å; I511-F533 HydrophobicContact CD1-CD2 4.48Å; I511-F533 HydrophobicContact CD1-CE2 4.46Å; I511-F533 HydrophobicContact CG2-CD1 4.21Å; I511-F533 HydrophobicContact CG2-CE1 3.56Å; I511-F533 HydrophobicContact CG2-CZ 3.92Å; C521-F533 WeakPolarHBondContact CA-O 3.4Å; W522-F533 HydrophobicContact CB-CE1 4.11Å; W522-F533 HydrophobicContact CB-CE2 3.93Å; W522-F533 HydrophobicContact CB-CZ 3.71Å; W522-F533 AromaticContact CE3-CE2 3.93Å; W522-F533 HydrophobicContact CE3-CE2 3.93Å; W522-F533 HydrophobicContact CE3-CZ 4.14Å; W522-F533 PolarHBondContact N-O 3.14Å; W522-F533 PolarHBondContact O-N 3.32Å; F533-A535 PolarHBondContact O-N 3.1Å; F533-V538 HydrophobicContact CD2-CG1 3.76Å; F533-V538 HydrophobicContact CD2-CG2 4.34Å; F533-V538 HydrophobicContact CE2-CB 4.27Å; F533-V538 HydrophobicContact CE2-CG1 3.63Å; F533-V538 HydrophobicContact CE2-CG2 3.62Å
534P90.4Very high79.8Confident25 Ų2561.7 Ų61.716%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-68.5125.1179.1-19.332.1000112.9F495 H520 W532 K536 F537F495-P534 HydrophobicContact CD2-CG 4.22Å; F495-P534 HydrophobicContact CE2-CG 3.85Å; F495-P534 HydrophobicContact CZ-CG 4.18Å; H520-P534 CarbonylContact O-C 3.45Å; H520-P534 WeakPolarHBondContact O-CA 3.39Å; W532-P534 HydrophobicContact CZ3-CG 4.27Å; P534-K536 PolarHBondContact O-N 3.37Å; P534-K536 VanDerWaalsContact O-N 3.15Å; P534-F537 HydrophobicContact CB-CB 4.39Å; P534-F537 HydrophobicContact CB-CD1 3.8Å; P534-F537 HydrophobicContact CB-CE1 4.29Å; P534-F537 HydrophobicContact CB-CG 4.08Å; P534-F537 HydrophobicContact CG-CD1 4.34Å; P534-F537 HydrophobicContact CG-CG 4.36Å; P534-F537 WeakPolarHBondContact O-CB 3.15Å; P534-F537 PolarHBondContact O-N 2.86Å
535A84.3Confident78Confident10 Ų1061.8 Ų61.88%0.08331%0.309CS..G310 helixtrans-57.7-31.317900000113.4H520 W522 F533 F537 V538H520-A535 PolarHBondContact O-N 3.25Å; W522-A535 HydrophobicContact CD2-CB 3.71Å; W522-A535 HydrophobicContact CE3-CB 4.23Å; W522-A535 HydrophobicContact CG-CB 4.11Å; W522-A535 HydrophobicContact CH2-CB 4.09Å; W522-A535 HydrophobicContact CZ2-CB 3.61Å; W522-A535 HydrophobicContact CZ3-CB 4.4Å; F533-A535 PolarHBondContact O-N 3.1Å; A535-F537 PolarHBondContact O-N 3.42Å; A535-V538 WeakPolarHBondContact O-CG2 3.48Å; A535-V538 PolarHBondContact O-N 3.11Å
536K87.2Confident76.9Confident169 Ų16963.3 Ų63.374%0.73532%0.315SS*.G310 helixtrans-72.1-16179.8-67.4-179.4-179.7173.80114P534 V538P534-K536 PolarHBondContact O-N 3.37Å; P534-K536 VanDerWaalsContact O-N 3.15Å; K536-V538 VanDerWaalsContact C-N 3.25Å
537F87.6Confident76.2Confident68 Ų6867.7 Ų67.730%0.29834%0.335SS..G310 helixtrans-88.9-2.7-175.9-79.340.4000111.5L492 L493 F495 F505 P534 A535L492-F537 PolarHBondContact N-O 3.48Å; L493-F537 HydrophobicContact CB-CD2 4.08Å; L493-F537 HydrophobicContact CB-CG 4.48Å; L493-F537 HydrophobicContact CD1-CD1 4.27Å; L493-F537 HydrophobicContact CD1-CD2 4.23Å; L493-F537 HydrophobicContact CD1-CE1 4.39Å; L493-F537 HydrophobicContact CD1-CE2 4.36Å; L493-F537 HydrophobicContact CD1-CG 4.19Å; L493-F537 HydrophobicContact CD1-CZ 4.44Å; F495-F537 HydrophobicContact CB-CD2 4.17Å; F495-F537 HydrophobicContact CD2-CD2 4.13Å; F495-F537 HydrophobicContact CD2-CE2 4.08Å; F495-F537 HydrophobicContact CG-CD2 4.48Å; F505-F537 HydrophobicContact CE2-CB 4.39Å; F505-F537 HydrophobicContact CZ-CB 4.11Å; P534-F537 HydrophobicContact CB-CB 4.39Å; P534-F537 HydrophobicContact CB-CD1 3.8Å; P534-F537 HydrophobicContact CB-CE1 4.29Å; P534-F537 HydrophobicContact CB-CG 4.08Å; P534-F537 HydrophobicContact CG-CD1 4.34Å; P534-F537 HydrophobicContact CG-CG 4.36Å; P534-F537 WeakPolarHBondContact O-CB 3.15Å; P534-F537 PolarHBondContact O-N 2.86Å; A535-F537 PolarHBondContact O-N 3.42Å
538V80.5Confident76Confident10 Ų1061.7 Ų61.76%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-131.3152.4-176.4-52.20000110.1A489 K490 F505 I511 W522 F533 A535 K536A489-V538 HydrophobicContact CB-CB 3.66Å; A489-V538 HydrophobicContact CB-CG1 4.37Å; A489-V538 HydrophobicContact CB-CG2 3.58Å; K490-V538 CarbonylContact O-C 3.59Å; K490-V538 WeakPolarHBondContact O-CA 3.22Å; F505-V538 HydrophobicContact CE2-CG1 4.3Å; F505-V538 HydrophobicContact CZ-CG1 3.93Å; I511-V538 HydrophobicContact CD1-CG1 3.81Å; W522-V538 HydrophobicContact CE3-CG2 3.87Å; W522-V538 HydrophobicContact CZ3-CG2 3.55Å; F533-V538 HydrophobicContact CD2-CG1 3.76Å; F533-V538 HydrophobicContact CD2-CG2 4.34Å; F533-V538 HydrophobicContact CE2-CB 4.27Å; F533-V538 HydrophobicContact CE2-CG1 3.63Å; F533-V538 HydrophobicContact CE2-CG2 3.62Å; A535-V538 WeakPolarHBondContact O-CG2 3.48Å; A535-V538 PolarHBondContact O-N 3.11Å; K536-V538 VanDerWaalsContact C-N 3.25Å
539E79.9Confident76.2Confident111 Ų11158.9 Ų58.952%0.51927%0.272SS..EExtended strand (participates in β ladder)trans-103.2126.2166.8-179172.1-166.300107.7A489 K490 L492 L541A489-E539 CarbonylContact C-O 3.34Å; A489-E539 WeakPolarHBondContact CA-O 3.42Å; A489-E539 WeakPolarHBondContact CB-O 3.32Å; K490-E539 PolarHBondContact N-O 2.74Å; K490-E539 PolarHBondContact O-N 2.9Å; L492-E539 HydrophobicContact CD1-CB 4.09Å; L492-E539 HydrophobicContact CD2-CB 3.86Å; L492-E539 HydrophobicContact CG-CB 4.01Å; E539-L541 PolarHBondContact O-N 3.1Å; E539-L541 VanDerWaalsContact O-N 3.09Å
540I72.3Confident76Confident79 Ų7958.8 Ų58.841%0.40527%0.272SS..EExtended strand (participates in β ladder)trans-60.5120.5173.9-65.8172.6000107.2I513 W522 D542I513-I540 HydrophobicContact CD1-CG1 4.41Å; W522-I540 HydrophobicContact CH2-CD1 3.48Å; W522-I540 VanDerWaalsContact CH2-CD1 3.48Å; W522-I540 HydrophobicContact CH2-CG1 3.41Å; W522-I540 VanDerWaalsContact CH2-CG1 3.41Å; W522-I540 HydrophobicContact CZ2-CD1 4.19Å; W522-I540 HydrophobicContact CZ3-CD1 4.08Å; W522-I540 HydrophobicContact CZ3-CG1 3.55Å; I540-D542 PolarHBondContact O-N 3.43Å
541L65.8Low75.8Confident17 Ų1751.2 Ų51.29%0.08924%0.243CC..EExtended strand (participates in β ladder)trans-80.5102.3164-63.4168.2000105.1R488 K490 I510 E539 E543R488-L541 HydrophobicContact CB-CB 4.4Å; R488-L541 HydrophobicContact CB-CD1 4.36Å; R488-L541 PolarHBondContact O-N 3.11Å; K490-L541 HydrophobicContact CB-CD1 3.93Å; K490-L541 HydrophobicContact CB-CD2 3.89Å; K490-L541 HydrophobicContact CB-CG 3.9Å; I510-L541 HydrophobicContact CD1-CD1 3.56Å; I510-L541 HydrophobicContact CG2-CD1 3.93Å; E539-L541 PolarHBondContact O-N 3.1Å; E539-L541 VanDerWaalsContact O-N 3.09Å; L541-E543 HydrophobicContact CB-CG 3.89Å; L541-E543 WeakPolarHBondContact CB-OE1 3.33Å; L541-E543 PolarHBondContact O-N 2.94Å
542D54.9Low75.6Confident110 Ų11051 Ų5159%0.58824%0.24SC*.  trans-66.283.3174.4-176.930.4000108.4I540 R544I540-D542 PolarHBondContact O-N 3.43Å; D542-R544 PolarHBondContact O-N 3.43Å; D542-R544 IonicContact OD2-CZ 2.69Å; D542-R544 IonicContact OD2-NE 2.85Å; D542-R544 PolarHBondContact OD2-NE 3.41Å; D542-R544 IonicContact OD2-NH2 3.77Å; D542-R544 PolarHBondContact OD2-NH2 3.21Å
543E55.1Low75.2Confident15 Ų1547.6 Ų47.67%0.0723%0.228CC..  trans-101100.4-169.2-79.2-177.1-16400113R488 L541 S545 Y548R488-E543 IonicContact CZ-OE2 3.72Å; R488-E543 IonicContact NE-OE2 3.25Å; R488-E543 PolarHBondContact NE-OE2 3.4Å; R488-E543 IonicContact NH2-OE2 3.91Å; R488-E543 PolarHBondContact NH2-OE2 3.46Å; L541-E543 HydrophobicContact CB-CG 3.89Å; L541-E543 WeakPolarHBondContact CB-OE1 3.33Å; L541-E543 PolarHBondContact O-N 2.94Å; E543-S545 PolarHBondContact O-N 3.48Å; E543-Y548 VanDerWaalsContact OE1-CD2 3.25Å; E543-Y548 WeakPolarHBondContact OE1-CD2 3.44Å
544R52.8Low75Confident47 Ų4749 Ų4918%0.17724%0.235CC..  trans-74.45.2171.6-66.7162.6178.7-143.719.3112.6R485 D542 V664 N667 E668R485-R544 PolarHBondContact NE-O 3.2Å; R485-R544 PolarHBondContact NH2-O 2.87Å; D542-R544 PolarHBondContact O-N 3.43Å; D542-R544 IonicContact OD2-CZ 2.69Å; D542-R544 IonicContact OD2-NE 2.85Å; D542-R544 PolarHBondContact OD2-NE 3.41Å; D542-R544 IonicContact OD2-NH2 3.77Å; D542-R544 PolarHBondContact OD2-NH2 3.21Å; R544-V664 VanDerWaalsContact NH1-CG1 3.34Å; R544-N667 CarbonylContact C-O 3.6Å; R544-N667 HydrophobicContact CB-CB 4.36Å; R544-N667 WeakPolarHBondContact CB-O 3.33Å; R544-E668 HydrophobicContact CB-CB 4.39Å; R544-E668 HydrophobicContact CB-CG 3.83Å; R544-E668 WeakPolarHBondContact CB-OE2 3.34Å; R544-E668 WeakPolarHBondContact CD-OE1 3.46Å; R544-E668 HydrophobicContact CG-CG 4.15Å; R544-E668 WeakPolarHBondContact CG-OE1 3.48Å; R544-E668 IonicContact CZ-OE1 3.76Å; R544-E668 IonicContact NE-OE1 2.74Å; R544-E668 PolarHBondContact NE-OE1 2.9Å; R544-E668 IonicContact NH1-OE1 3.89Å; R544-E668 PolarHBondContact NH1-OE1 3.12Å; R544-E668 VanDerWaalsContact NH1-OE1 3.12Å; R544-E668 CarbonylContact O-C 3.57Å; R544-E668 WeakPolarHBondContact O-CA 3.25Å
545S51.4Low74.3Confident1 Ų151.4 Ų51.41%0.00725%0.253CS..SBendtrans-124.8161.3-177.164.80000113.4R488 E543 N667 F715R488-S545 PolarHBondContact NH2-O 2.88Å; E543-S545 PolarHBondContact O-N 3.48Å; S545-N667 WeakPolarHBondContact CA-O 3.48Å; S545-N667 VanDerWaalsContact CB-O 3.24Å; S545-N667 WeakPolarHBondContact CB-O 3.38Å; S545-N667 PolarHBondContact N-O 3.02Å; S545-F715 PolarHBondContact OG-O 2.92Å
546K63.6Low73.7Confident96 Ų9654.2 Ų54.242%0.41727%0.269SS..SBendtrans-49.9-90.6-179-73171.4176.9173.50115V481 R488V481-K546 HydrophobicContact CG1-CD 4.49Å; V481-K546 HydrophobicContact CG1-CG 3.62Å; V481-K546 HydrophobicContact CG2-CD 4.32Å; V481-K546 HydrophobicContact CG2-CG 4.21Å; R488-K546 PolarHBondContact NH1-O 3.25Å; R488-K546 PolarHBondContact NH2-O 2.83Å; R488-K546 VanDerWaalsContact NH2-O 3.15Å
547E69.4Low73.3Confident114 Ų11447.4 Ų47.453%0.53324%0.242SC..SBendtrans-114.6125.7-173.4-75.7-170.5-170.600109.5R456 R488 S549 A714R456-E547 IonicContact CZ-OE2 2.97Å; R456-E547 IonicContact NH1-OE2 3.42Å; R456-E547 PolarHBondContact NH1-OE2 2.91Å; R488-E547 VanDerWaalsContact NH1-CA 3.33Å; E547-S549 PolarHBondContact O-N 3.01Å; E547-A714 WeakPolarHBondContact O-CB 3.35Å
548Y76.1Confident73.1Confident25 Ų2551.6 Ų51.610%0.09826%0.262CS..  trans-56137.3-177.7171.4-96.9000110.7R456 R488 I510 E543 L550 D553R456-Y548 PolarHBondContact NH2-O 2.74Å; R488-Y548 VanDerWaalsContact NH2-N 3.12Å; I510-Y548 HydrophobicContact CB-CD1 4.24Å; I510-Y548 HydrophobicContact CB-CE1 4.38Å; I510-Y548 HydrophobicContact CD1-CD1 4.42Å; I510-Y548 HydrophobicContact CD1-CE1 3.9Å; I510-Y548 HydrophobicContact CD1-CE2 3.99Å; I510-Y548 HydrophobicContact CG1-CD1 3.81Å; I510-Y548 HydrophobicContact CG1-CE1 3.47Å; I510-Y548 VanDerWaalsContact CG1-CE1 3.47Å; I510-Y548 HydrophobicContact CG1-CE2 4.4Å; I510-Y548 HydrophobicContact CG1-CG 4.4Å; I510-Y548 HydrophobicContact CG2-CD1 4.02Å; I510-Y548 HydrophobicContact CG2-CD2 4.42Å; I510-Y548 HydrophobicContact CG2-CG 3.95Å; E543-Y548 VanDerWaalsContact OE1-CD2 3.25Å; E543-Y548 WeakPolarHBondContact OE1-CD2 3.44Å; Y548-L550 HydrophobicContact CE1-CD2 3.67Å; Y548-L550 HydrophobicContact CE1-CG 3.75Å; Y548-L550 WeakPolarHBondContact OH-CD2 3.45Å; Y548-D553 HydrophobicContact CE2-CB 3.94Å; Y548-D553 WeakPolarHBondContact CE2-OD2 3.36Å; Y548-D553 PolarHBondContact OH-OD2 3.18Å; Y548-D553 VanDerWaalsContact OH-OD2 3.06Å
549S81.8Confident73.2Confident2 Ų253.3 Ų53.31%0.01428%0.277CS..  trans-132.8126.3174.8-174.30000109.2D454 E547 A551 G552 D553D454-S549 VanDerWaalsContact OD2-CB 3.31Å; D454-S549 WeakPolarHBondContact OD2-CB 3.45Å; D454-S549 PolarHBondContact OD2-OG 3.03Å; E547-S549 PolarHBondContact O-N 3.01Å; S549-A551 PolarHBondContact O-N 3.13Å; S549-A551 PolarHBondContact OG-N 3.17Å; S549-G552 PolarHBondContact O-N 3.22Å; S549-D553 PolarHBondContact O-N 3.05Å
550L78.5Confident73.6Confident97 Ų9748 Ų4851%0.50825%0.252SS..G310 helixtrans-58.9-27.3174.9-67.3160.1000111.9Y548 G552 V556 T557Y548-L550 HydrophobicContact CE1-CD2 3.67Å; Y548-L550 HydrophobicContact CE1-CG 3.75Å; Y548-L550 WeakPolarHBondContact OH-CD2 3.45Å; L550-G552 PolarHBondContact O-N 3.1Å; L550-V556 HydrophobicContact CD2-CB 4.43Å; L550-V556 HydrophobicContact CD2-CG1 3.81Å; L550-V556 HydrophobicContact CD2-CG2 4.28Å; L550-T557 WeakPolarHBondContact O-CB 3.04Å; L550-T557 PolarHBondContact O-OG1 3.23Å
551A86.7Confident74.3Confident1 Ų145.6 Ų45.61%0.00824%0.241CC..G310 helixtrans-69.3-22.1176.400000112.9H449 F450 L453 S549 V560H449-A551 PolarHBondContact CD2-O 2.64Å; H449-A551 VanDerWaalsContact CD2-O 3.25Å; H449-A551 PolarHBondContact NE2-O 3.07Å; H449-A551 VanDerWaalsContact NE2-O 3.08Å; F450-A551 HydrophobicContact CD1-CB 3.68Å; F450-A551 HydrophobicContact CE1-CB 3.98Å; F450-A551 HydrophobicContact CG-CB 4.1Å; L453-A551 HydrophobicContact CB-CB 3.72Å; L453-A551 HydrophobicContact CD1-CB 4.33Å; S549-A551 PolarHBondContact O-N 3.13Å; S549-A551 PolarHBondContact OG-N 3.17Å; A551-V560 WeakPolarHBondContact O-CG2 3.32Å
552G86.8Confident75.2Confident0 Ų050 Ų500%027%0.265CS..G310 helixtrans-99.7-6.6-179.800000114.9F450 S549 L550 A714 S716F450-G552 VanDerWaalsContact CZ-CA 3.4Å; S549-G552 PolarHBondContact O-N 3.22Å; L550-G552 PolarHBondContact O-N 3.1Å; G552-A714 WeakPolarHBondContact CA-O 3.25Å; G552-S716 CarbonylContact O-C 3.56Å; G552-S716 PolarHBondContact O-N 2.99Å
553D84.4Confident77Confident2 Ų246.2 Ų46.21%0.01125%0.245CC..BIsolated β-bridgetrans-94.5113.1-175.7-175.5-25.1000110.6Y548 S549 S555 V556 T557 S716Y548-D553 HydrophobicContact CE2-CB 3.94Å; Y548-D553 WeakPolarHBondContact CE2-OD2 3.36Å; Y548-D553 PolarHBondContact OH-OD2 3.18Å; Y548-D553 VanDerWaalsContact OH-OD2 3.06Å; S549-D553 PolarHBondContact O-N 3.05Å; D553-S555 VanDerWaalsContact C-N 3.26Å; D553-S555 PolarHBondContact O-N 3.48Å; D553-S555 WeakPolarHBondContact OD1-CA 3.47Å; D553-S555 VanDerWaalsContact OD1-CB 3.23Å; D553-S555 WeakPolarHBondContact OD1-CB 3.32Å; D553-S555 PolarHBondContact OD1-N 3.35Å; D553-S555 PolarHBondContact OD1-OG 3.02Å; D553-S555 PolarHBondContact OD2-OG 3.14Å; D553-V556 HydrophobicContact CB-CB 4.26Å; D553-V556 HydrophobicContact CB-CG2 4.24Å; D553-V556 PolarHBondContact O-N 3.15Å; D553-V556 PolarHBondContact OD1-N 3.11Å; D553-T557 PolarHBondContact O-N 3.19Å; D553-S716 WeakPolarHBondContact CA-O 3.44Å
554D85.1Confident78.8Confident29 Ų2945.5 Ų45.516%0.15524%0.241CC..THydrogen-bonded Turntrans-74-13.6-17962.25.4000114.6V556 V560 T561 R565 S716 L717 S718D554-V556 VanDerWaalsContact C-N 3.31Å; D554-V560 HydrophobicContact CB-CG1 3.79Å; D554-T561 WeakPolarHBondContact CB-OG1 3.46Å; D554-R565 IonicContact OD2-CZ 3.35Å; D554-R565 IonicContact OD2-NH1 3.05Å; D554-R565 PolarHBondContact OD2-NH1 3.36Å; D554-R565 VanDerWaalsContact OD2-NH1 3.16Å; D554-R565 IonicContact OD2-NH2 2.79Å; D554-R565 PolarHBondContact OD2-NH2 2.74Å; D554-S716 PolarHBondContact N-O 3.21Å; D554-S716 VanDerWaalsContact N-O 3.13Å; D554-L717 HydrophobicContact CB-CD2 3.99Å; D554-L717 WeakPolarHBondContact OD2-CA 3.33Å; D554-S718 PolarHBondContact OD1-N 3.16Å; D554-S718 VanDerWaalsContact OD1-N 3.13Å; D554-S718 PolarHBondContact OD2-N 2.93Å
555S75.6Confident80.6Confident77 Ų7744.2 Ų44.254%0.53824%0.236SC..THydrogen-bonded Turntrans-79.1-16.5170.6800000113.1K490 D553K490-S555 PolarHBondContact NZ-OG 2.93Å; D553-S555 VanDerWaalsContact C-N 3.26Å; D553-S555 PolarHBondContact O-N 3.48Å; D553-S555 WeakPolarHBondContact OD1-CA 3.47Å; D553-S555 VanDerWaalsContact OD1-CB 3.23Å; D553-S555 WeakPolarHBondContact OD1-CB 3.32Å; D553-S555 PolarHBondContact OD1-N 3.35Å; D553-S555 PolarHBondContact OD1-OG 3.02Å; D553-S555 PolarHBondContact OD2-OG 3.14Å
556V72.4Confident82.1Confident68 Ų6846.5 Ų46.541%0.41226%0.26SS..THydrogen-bonded Turntrans-109.3-45.9-179.5-179.60000111.2L550 D553 D554L550-V556 HydrophobicContact CD2-CB 4.43Å; L550-V556 HydrophobicContact CD2-CG1 3.81Å; L550-V556 HydrophobicContact CD2-CG2 4.28Å; D553-V556 HydrophobicContact CB-CB 4.26Å; D553-V556 HydrophobicContact CB-CG2 4.24Å; D553-V556 PolarHBondContact O-N 3.15Å; D553-V556 PolarHBondContact OD1-N 3.11Å; D554-V556 VanDerWaalsContact C-N 3.31Å
557T79.3Confident83.3Confident27 Ų2744.1 Ų44.117%0.16625%0.254CS..  trans-120.592.7-175-54.90000109.8L453 L550 D553 A559 V560L453-T557 HydrophobicContact CD1-CG2 3.77Å; L550-T557 WeakPolarHBondContact O-CB 3.04Å; L550-T557 PolarHBondContact O-OG1 3.23Å; D553-T557 PolarHBondContact O-N 3.19Å; T557-A559 HydrophobicContact CG2-CB 4.23Å; T557-A559 PolarHBondContact O-N 3Å; T557-A559 VanDerWaalsContact O-N 3.08Å; T557-V560 VanDerWaalsContact O-CG1 3.27Å; T557-V560 WeakPolarHBondContact O-CG1 3.46Å; T557-V560 PolarHBondContact O-N 3.06Å; T557-V560 VanDerWaalsContact O-N 3.16Å
558E82Confident84.5Confident155 Ų15538.7 Ų38.772%0.72423%0.228SC*.THydrogen-bonded Turntrans-57.9-28.9-177.5-168176.3-173.600113.2V560 T561E558-V560 PolarHBondContact O-N 3.3Å; E558-V560 VanDerWaalsContact O-N 3.14Å; E558-T561 VanDerWaalsContact O-CB 3.24Å; E558-T561 WeakPolarHBondContact O-CB 3.24Å; E558-T561 PolarHBondContact O-N 3.16Å
559A82.8Confident85.3Confident46 Ų4637.6 Ų37.638%0.3823%0.225SC..Hα-helixtrans-58.2-28.8179.300000114T557 T561 D562 L563T557-A559 HydrophobicContact CG2-CB 4.23Å; T557-A559 PolarHBondContact O-N 3Å; T557-A559 VanDerWaalsContact O-N 3.08Å; A559-T561 PolarHBondContact O-N 3.32Å; A559-D562 PolarHBondContact O-N 3.35Å; A559-L563 WeakPolarHBondContact O-CG 3.33Å; A559-L563 PolarHBondContact O-N 3.48Å; A559-L563 VanDerWaalsContact O-N 3.13Å
560V89.4Confident85.7Confident0 Ų040.6 Ų40.60%024%0.244CC..Hα-helixtrans-66.8-29.9176.780.10000111.5A551 D554 T557 E558 L563 V564 F715 L717A551-V560 WeakPolarHBondContact O-CG2 3.32Å; D554-V560 HydrophobicContact CB-CG1 3.79Å; T557-V560 VanDerWaalsContact O-CG1 3.27Å; T557-V560 WeakPolarHBondContact O-CG1 3.46Å; T557-V560 PolarHBondContact O-N 3.06Å; T557-V560 VanDerWaalsContact O-N 3.16Å; E558-V560 PolarHBondContact O-N 3.3Å; E558-V560 VanDerWaalsContact O-N 3.14Å; V560-L563 PolarHBondContact O-N 2.81Å; V560-V564 HydrophobicContact CG2-CG2 4.32Å; V560-V564 WeakPolarHBondContact O-CB 3.4Å; V560-V564 WeakPolarHBondContact O-CG2 3.47Å; V560-V564 PolarHBondContact O-N 3.42Å; V560-F715 HydrophobicContact CG2-CD1 4.29Å; V560-F715 HydrophobicContact CG2-CE1 4.24Å; V560-L717 HydrophobicContact CG1-CD2 3.69Å; V560-L717 HydrophobicContact CG2-CD2 4.19Å
561T87.2Confident86.3Confident28 Ų2836.5 Ų36.517%0.17222%0.224CC..Hα-helixtrans-64.5-47.1174.8-74.20000111.3D554 E558 A559 L563 V564 R565D554-T561 WeakPolarHBondContact CB-OG1 3.46Å; E558-T561 VanDerWaalsContact O-CB 3.24Å; E558-T561 WeakPolarHBondContact O-CB 3.24Å; E558-T561 PolarHBondContact O-N 3.16Å; A559-T561 PolarHBondContact O-N 3.32Å; T561-L563 VanDerWaalsContact C-N 3.34Å; T561-L563 PolarHBondContact O-N 3.34Å; T561-V564 PolarHBondContact O-N 2.81Å; T561-R565 WeakPolarHBondContact O-CB 3.24Å; T561-R565 PolarHBondContact O-N 2.87Å; T561-R565 PolarHBondContact OG1-NH1 3.37Å
562D85Confident86.7Confident110 Ų11036.7 Ų36.759%0.58823%0.225SC*.Iπ-helixtrans-65-39.2179.1-74.3-21.8000111.8A559 G566 T567A559-D562 PolarHBondContact O-N 3.35Å; D562-G566 CarbonylContact O-C 3.44Å; D562-G566 WeakPolarHBondContact O-CA 3.19Å; D562-G566 PolarHBondContact O-N 2.95Å; D562-T567 PolarHBondContact O-N 3.01Å
563L90.7Very high87Confident30 Ų3038.5 Ų38.516%0.15723%0.233CC..Iπ-helixtrans-64-52175.8-70167.8000110.8R445 H449 A559 V560 T561 T567 L568R445-L563 HydrophobicContact CB-CD2 4.02Å; H449-L563 HydrophobicContact CB-CD1 3.51Å; A559-L563 WeakPolarHBondContact O-CG 3.33Å; A559-L563 PolarHBondContact O-N 3.48Å; A559-L563 VanDerWaalsContact O-N 3.13Å; V560-L563 PolarHBondContact O-N 2.81Å; T561-L563 VanDerWaalsContact C-N 3.34Å; T561-L563 PolarHBondContact O-N 3.34Å; L563-T567 WeakPolarHBondContact O-CA 3.1Å; L563-T567 WeakPolarHBondContact O-CB 3.34Å; L563-T567 PolarHBondContact O-N 3.1Å; L563-T567 VanDerWaalsContact O-N 3.13Å; L563-T567 PolarHBondContact O-OG1 3Å; L563-L568 PolarHBondContact O-N 3.16Å
564V93.5Very high87.2Confident0 Ų039.9 Ų39.90%025%0.245CC..Iπ-helixtrans-73.4-54.6-175.3174.40000111.8T446 V560 T561 L568 C569 L666 F715 L717T446-V564 HydrophobicContact CG2-CG2 4.31Å; V560-V564 HydrophobicContact CG2-CG2 4.32Å; V560-V564 WeakPolarHBondContact O-CB 3.4Å; V560-V564 WeakPolarHBondContact O-CG2 3.47Å; V560-V564 PolarHBondContact O-N 3.42Å; T561-V564 PolarHBondContact O-N 2.81Å; V564-L568 WeakPolarHBondContact O-CB 3.49Å; V564-L568 PolarHBondContact O-N 2.94Å; V564-C569 WeakPolarHBondContact O-CB 3.15Å; V564-C569 PolarHBondContact O-N 2.95Å; V564-C569 PolarHBondContact O-SG 3.14Å; V564-L666 HydrophobicContact CB-CD1 4.38Å; V564-L666 HydrophobicContact CG1-CD1 3.5Å; V564-L666 VanDerWaalsContact CG1-CD1 3.5Å; V564-L666 HydrophobicContact CG2-CD1 3.92Å; V564-F715 HydrophobicContact CG2-CD1 4.49Å; V564-F715 HydrophobicContact CG2-CE1 4.09Å; V564-L717 HydrophobicContact CB-CD1 4.24Å; V564-L717 HydrophobicContact CG1-CD1 3.88Å; V564-L717 HydrophobicContact CG2-CD1 3.98Å
565R91.9Very high87.5Confident20 Ų2038.6 Ų38.68%0.07524%0.237CC..Iπ-helixtrans-80.6-34.4-174.3-61.5-173.5-174.876.3-3.8112.2D554 T561 P570 S718D554-R565 IonicContact OD2-CZ 3.35Å; D554-R565 IonicContact OD2-NH1 3.05Å; D554-R565 PolarHBondContact OD2-NH1 3.36Å; D554-R565 VanDerWaalsContact OD2-NH1 3.16Å; D554-R565 IonicContact OD2-NH2 2.79Å; D554-R565 PolarHBondContact OD2-NH2 2.74Å; T561-R565 WeakPolarHBondContact O-CB 3.24Å; T561-R565 PolarHBondContact O-N 2.87Å; T561-R565 PolarHBondContact OG1-NH1 3.37Å; R565-P570 WeakPolarHBondContact O-CD 3.45Å; R565-S718 PolarHBondContact NH2-O 3.41Å
566G82.6Confident88.4Confident49 Ų4935.3 Ų35.351%0.50521%0.214SC..Iπ-helixtrans-87.6-25-177.900000115D562 P570D562-G566 CarbonylContact O-C 3.44Å; D562-G566 WeakPolarHBondContact O-CA 3.19Å; D562-G566 PolarHBondContact O-N 2.95Å; G566-P570 WeakPolarHBondContact O-CG 3.33Å
567T87.9Confident89.3Confident46 Ų4636.4 Ų36.428%0.28221%0.214SC..Iπ-helixtrans-121.8-52.6-178.6770000114.4D562 L563 P570 A571D562-T567 PolarHBondContact O-N 3.01Å; L563-T567 WeakPolarHBondContact O-CA 3.1Å; L563-T567 WeakPolarHBondContact O-CB 3.34Å; L563-T567 PolarHBondContact O-N 3.1Å; L563-T567 VanDerWaalsContact O-N 3.13Å; L563-T567 PolarHBondContact O-OG1 3Å; T567-P570 WeakPolarHBondContact O-CD 3.21Å; T567-A571 PolarHBondContact O-N 3.32Å
568L93.9Very high89.6Confident0 Ų036.4 Ų36.40%021%0.212CC..Iπ-helixtrans-68.7-46.7-176.3-18067000112.4L439 A442 I443 L563 V564 A571 L572 L666 L710L439-L568 HydrophobicContact CD1-CD1 3.9Å; A442-L568 HydrophobicContact CB-CB 4.32Å; A442-L568 HydrophobicContact CB-CD1 4.19Å; I443-L568 HydrophobicContact CG1-CD1 3.82Å; L563-L568 PolarHBondContact O-N 3.16Å; V564-L568 WeakPolarHBondContact O-CB 3.49Å; V564-L568 PolarHBondContact O-N 2.94Å; L568-A571 PolarHBondContact O-N 3.37Å; L568-L572 WeakPolarHBondContact O-CB 3.43Å; L568-L572 PolarHBondContact O-N 3.11Å; L568-L666 HydrophobicContact CD2-CD1 3.86Å; L568-L666 HydrophobicContact CD2-CD2 4.35Å; L568-L710 HydrophobicContact CD1-CD1 4.11Å; L568-L710 HydrophobicContact CD2-CD1 3.48Å; L568-L710 VanDerWaalsContact CD2-CD1 3.48Å; L568-L710 HydrophobicContact CG-CD1 4.46Å
569C94.9Very high89.6Confident3 Ų329.3 Ų29.32%0.0218%0.181CC..Hα-helixtrans-61.3-45.9-179.6-69.10000112.7V564 A571 L572 K573 R659V564-C569 WeakPolarHBondContact O-CB 3.15Å; V564-C569 PolarHBondContact O-N 2.95Å; V564-C569 PolarHBondContact O-SG 3.14Å; C569-A571 PolarHBondContact O-N 3.24Å; C569-L572 PolarHBondContact O-N 2.74Å; C569-K573 VanDerWaalsContact O-CB 3.24Å; C569-K573 WeakPolarHBondContact O-CB 3.4Å; C569-K573 PolarHBondContact O-N 3.19Å; C569-R659 HydrophobicContact CB-CG 3.72Å
570P89Confident89.8Confident64 Ų6428.2 Ų28.242%0.41617%0.169SC..Hα-helixtrans-60.1-41.6173.5-28.637.3000113.9R565 G566 T567 K573 A574R565-P570 WeakPolarHBondContact O-CD 3.45Å; G566-P570 WeakPolarHBondContact O-CG 3.33Å; T567-P570 WeakPolarHBondContact O-CD 3.21Å; P570-K573 PolarHBondContact O-N 2.92Å; P570-A574 WeakPolarHBondContact O-CB 3.44Å; P570-A574 PolarHBondContact O-N 3.34Å
571A90.4Very high89.7Confident12 Ų1231.3 Ų31.310%0.09918%0.182CC..Hα-helixtrans-63.2-45.4178.100000111.6L439 A442 T567 L568 C569 A574 I575L439-A571 HydrophobicContact CB-CB 4.48Å; L439-A571 HydrophobicContact CD1-CB 4.33Å; A442-A571 HydrophobicContact CB-CB 4.29Å; T567-A571 PolarHBondContact O-N 3.32Å; L568-A571 PolarHBondContact O-N 3.37Å; C569-A571 PolarHBondContact O-N 3.24Å; A571-A574 PolarHBondContact O-N 3.07Å; A571-I575 PolarHBondContact O-N 3.13Å
572L95.5Very high89.1Confident4 Ų437.3 Ų37.32%0.02121%0.205CC..Hα-helixtrans-67.3-41.9177.4-170.160.8000111.9L439 L568 C569 A574 I575 F576 F658 V662 L671 L707L439-L572 HydrophobicContact CD1-CB 4.49Å; L439-L572 HydrophobicContact CD1-CD1 4.49Å; L568-L572 WeakPolarHBondContact O-CB 3.43Å; L568-L572 PolarHBondContact O-N 3.11Å; C569-L572 PolarHBondContact O-N 2.74Å; L572-A574 VanDerWaalsContact C-N 3.28Å; L572-A574 PolarHBondContact O-N 3.28Å; L572-I575 WeakPolarHBondContact O-CB 3.32Å; L572-I575 PolarHBondContact O-N 3.49Å; L572-F576 HydrophobicContact CD1-CD2 4.26Å; L572-F576 HydrophobicContact CD1-CE2 3.98Å; L572-F576 HydrophobicContact CG-CD2 4.25Å; L572-F576 HydrophobicContact CG-CE2 4.13Å; L572-F576 WeakPolarHBondContact O-CD2 3.45Å; L572-F576 PolarHBondContact O-N 2.96Å; L572-F658 HydrophobicContact CB-CZ 4.47Å; L572-F658 HydrophobicContact CD2-CZ 4.4Å; L572-F658 HydrophobicContact CG-CZ 4.19Å; L572-V662 HydrophobicContact CD2-CG2 3.91Å; L572-L671 HydrophobicContact CD2-CD1 4.36Å; L572-L671 HydrophobicContact CD2-CD2 4.23Å; L572-L707 HydrophobicContact CD1-CD1 4.07Å; L572-L707 HydrophobicContact CD1-CD2 4.42Å
573K94.3Very high88.1Confident39 Ų3935.2 Ų35.217%0.1720%0.198CC..Hα-helixtrans-58.4-41.4174-177.8-177.8170.9-171.30111.3C569 P570 I575 F576 Q577 D655 F658C569-K573 VanDerWaalsContact O-CB 3.24Å; C569-K573 WeakPolarHBondContact O-CB 3.4Å; C569-K573 PolarHBondContact O-N 3.19Å; P570-K573 PolarHBondContact O-N 2.92Å; K573-I575 VanDerWaalsContact C-N 3.3Å; K573-I575 PolarHBondContact O-N 3.43Å; K573-F576 CarbonylContact O-C 2.99Å; K573-F576 PolarHBondContact O-N 3.25Å; K573-F576 VanDerWaalsContact O-N 3.12Å; K573-Q577 VanDerWaalsContact CE-NE2 3.3Å; K573-Q577 HydrophobicContact CG-CG 4.23Å; K573-Q577 WeakPolarHBondContact O-CG 3.21Å; K573-Q577 PolarHBondContact O-N 3.4Å; K573-D655 VanDerWaalsContact CE-OD1 3.27Å; K573-D655 WeakPolarHBondContact CE-OD1 3.41Å; K573-D655 IonicContact NZ-OD1 2.83Å; K573-D655 PolarHBondContact NZ-OD1 2.88Å; K573-D655 IonicContact NZ-OD2 3.6Å; K573-D655 PolarHBondContact NZ-OD2 3.14Å; K573-F658 HydrophobicContact CB-CD1 4.28Å; K573-F658 HydrophobicContact CB-CE1 3.76Å; K573-F658 HydrophobicContact CB-CZ 4.12Å
574A88.3Confident86.1Confident31 Ų3138.9 Ų38.926%0.25623%0.226SC..Hα-helixtrans-62.3-37.4178.900000112.3L435 P570 A571 L572 Q577 H578L435-A574 HydrophobicContact CD2-CB 3.61Å; P570-A574 WeakPolarHBondContact O-CB 3.44Å; P570-A574 PolarHBondContact O-N 3.34Å; A571-A574 PolarHBondContact O-N 3.07Å; L572-A574 VanDerWaalsContact C-N 3.28Å; L572-A574 PolarHBondContact O-N 3.28Å; A574-Q577 PolarHBondContact O-N 3.24Å; A574-H578 WeakPolarHBondContact O-CB 3.37Å; A574-H578 PolarHBondContact O-N 3.44Å
575I90.9Very high83.9Confident1 Ų146.9 Ų46.91%0.00527%0.267CS..Hα-helixtrans-62.7-46.2171.5-70.9166000110.9L435 L439 A571 L572 K573 Q577 H578 F694 L695 I703L435-I575 HydrophobicContact CB-CG1 4.11Å; L439-I575 HydrophobicContact CB-CD1 3.81Å; L439-I575 HydrophobicContact CD1-CD1 4.46Å; L439-I575 HydrophobicContact CD2-CD1 3.5Å; L439-I575 HydrophobicContact CG-CD1 4.11Å; A571-I575 PolarHBondContact O-N 3.13Å; L572-I575 WeakPolarHBondContact O-CB 3.32Å; L572-I575 PolarHBondContact O-N 3.49Å; K573-I575 VanDerWaalsContact C-N 3.3Å; K573-I575 PolarHBondContact O-N 3.43Å; I575-Q577 VanDerWaalsContact C-N 3.29Å; I575-Q577 PolarHBondContact O-N 3.12Å; I575-H578 PolarHBondContact O-N 3.05Å; I575-F694 HydrophobicContact CG2-CB 4.1Å; I575-F694 HydrophobicContact CG2-CD2 3.97Å; I575-F694 HydrophobicContact CG2-CG 4.22Å; I575-L695 HydrophobicContact CG2-CD1 4.32Å; I575-I703 HydrophobicContact CD1-CD1 3.76Å; I575-I703 HydrophobicContact CD1-CG1 4.39Å; I575-I703 HydrophobicContact CD1-CG2 4.24Å; I575-I703 HydrophobicContact CG2-CG1 4.38Å
576F94.3Very high81.8Confident8 Ų853.4 Ų53.44%0.03530%0.303CS..Hα-helixtrans-68-24.3177.3-86.5-110.9000113.5L572 K573 P592 F595 I596 F658 L675 L678 Y689 L695L572-F576 HydrophobicContact CD1-CD2 4.26Å; L572-F576 HydrophobicContact CD1-CE2 3.98Å; L572-F576 HydrophobicContact CG-CD2 4.25Å; L572-F576 HydrophobicContact CG-CE2 4.13Å; L572-F576 WeakPolarHBondContact O-CD2 3.45Å; L572-F576 PolarHBondContact O-N 2.96Å; K573-F576 CarbonylContact O-C 2.99Å; K573-F576 PolarHBondContact O-N 3.25Å; K573-F576 VanDerWaalsContact O-N 3.12Å; F576-P592 HydrophobicContact CB-CB 3.82Å; F576-P592 HydrophobicContact CB-CG 3.8Å; F576-P592 HydrophobicContact CD1-CB 4.13Å; F576-P592 HydrophobicContact CG-CB 4.41Å; F576-F595 HydrophobicContact CD1-CD1 4.34Å; F576-F595 HydrophobicContact CD1-CE1 4.42Å; F576-F595 HydrophobicContact CE1-CD1 4.29Å; F576-F595 HydrophobicContact CE1-CE1 4.04Å; F576-I596 HydrophobicContact CD1-CD1 4.24Å; F576-I596 HydrophobicContact CD1-CG1 4.44Å; F576-I596 HydrophobicContact CE1-CD1 3.96Å; F576-I596 HydrophobicContact CE1-CG1 3.98Å; F576-F658 HydrophobicContact CD1-CE2 4.43Å; F576-F658 HydrophobicContact CG-CE2 4.34Å; F576-L675 HydrophobicContact CE2-CD1 3.92Å; F576-L675 HydrophobicContact CZ-CD1 3.89Å; F576-L678 HydrophobicContact CE1-CD1 3.93Å; F576-L678 HydrophobicContact CZ-CD1 3.89Å; F576-Y689 WeakPolarHBondContact O-CE1 3.48Å; F576-Y689 VanDerWaalsContact O-CZ 3.24Å; F576-Y689 PolarHBondContact O-OH 2.88Å; F576-L695 HydrophobicContact CD1-CD2 3.8Å; F576-L695 HydrophobicContact CE1-CD2 3.8Å; F576-L695 HydrophobicContact CG-CD1 4.49Å; F576-L695 HydrophobicContact CG-CD2 4.31Å; F576-L695 HydrophobicContact CZ-CD2 4.29Å
577Q91.1Very high80.2Confident92 Ų9255.1 Ų55.143%0.4332%0.32SS..Hα-helixtrans-82.4-24.4174.7-72.9-179.5-4600112K573 A574 I575 G579 L580 P592K573-Q577 VanDerWaalsContact CE-NE2 3.3Å; K573-Q577 HydrophobicContact CG-CG 4.23Å; K573-Q577 WeakPolarHBondContact O-CG 3.21Å; K573-Q577 PolarHBondContact O-N 3.4Å; A574-Q577 PolarHBondContact O-N 3.24Å; I575-Q577 VanDerWaalsContact C-N 3.29Å; I575-Q577 PolarHBondContact O-N 3.12Å; Q577-G579 PolarHBondContact O-N 3.03Å; Q577-L580 PolarHBondContact O-N 3.29Å; Q577-P592 HydrophobicContact CG-CG 3.78Å
578H85.1Confident78.6Confident27 Ų2754.5 Ų54.513%0.12532%0.323CS..THydrogen-bonded Turntrans-70.6102.9-177.5-174.1-97.1000111.8L435 A574 I575 W692 S693L435-H578 HydrophobicContact CD1-CB 3.56Å; A574-H578 WeakPolarHBondContact O-CB 3.37Å; A574-H578 PolarHBondContact O-N 3.44Å; I575-H578 PolarHBondContact O-N 3.05Å; H578-W692 AromaticContact CE1-CE3 3.77Å; H578-W692 AromaticContact CE1-CZ3 3.5Å; H578-W692 AromaticContact ND1-CZ3 3.8Å; H578-W692 AromaticContact NE2-CZ3 3.78Å; H578-S693 WeakPolarHBondContact O-CB 3.46Å
579G82.9Confident77.1Confident6 Ų658.9 Ų58.96%0.06235%0.352CS..THydrogen-bonded Turntrans92.112.5-179.600000115.3Q577 K581 Y689 H690Q577-G579 PolarHBondContact O-N 3.03Å; G579-K581 PolarHBondContact O-N 2.76Å; G579-Y689 CarbonylContact O-C 3.16Å; G579-Y689 WeakPolarHBondContact O-CA 3.45Å; G579-Y689 WeakPolarHBondContact O-CD1 3.33Å; G579-H690 PolarHBondContact O-CD2 2.81Å; G579-H690 PolarHBondContact O-N 3.46Å
580L87.9Confident76.4Confident23 Ų2361.2 Ų61.212%0.1237%0.367CS..BIsolated β-bridgetrans-66.4126.7168.5-17069.1000110Q577 C590 W688 Y689Q577-L580 PolarHBondContact O-N 3.29Å; L580-C590 VanDerWaalsContact CD2-SG 3.51Å; L580-W688 HydrophobicContact CD1-CB 4.21Å; L580-W688 HydrophobicContact CD1-CE3 4.07Å; L580-Y689 HydrophobicContact CB-CD1 4.42Å; L580-Y689 HydrophobicContact CB-CE1 3.96Å; L580-Y689 HydrophobicContact CD1-CD1 4.47Å; L580-Y689 HydrophobicContact CD1-CD2 4.47Å; L580-Y689 HydrophobicContact CD1-CE1 3.91Å; L580-Y689 HydrophobicContact CD1-CE2 3.9Å
581K85.4Confident76.5Confident64 Ų6459.1 Ų59.128%0.27835%0.352SS..PPolyproline II helixtrans-71.7132.9178.8-70.2173.2173.9176.10110G579 C590 E686 K687 W688 Y689G579-K581 PolarHBondContact O-N 2.76Å; K581-C590 PolarHBondContact O-SG 3.2Å; K581-E686 PolarHBondContact NZ-O 2.67Å; K581-K687 WeakPolarHBondContact CD-O 3.46Å; K581-W688 WeakPolarHBondContact CB-O 3.24Å; K581-W688 PolarHBondContact N-O 3.28Å; K581-Y689 VanDerWaalsContact CE-O 3.24Å; K581-Y689 WeakPolarHBondContact CE-O 3.36Å
582K74.8Confident76.7Confident154 Ų15458.5 Ų58.567%0.6735%0.347SS*.PPolyproline II helixtrans-82.8137.4171.2-64.8-178.5-179.6177.70109.7S584K582-S584 PolarHBondContact O-N 2.64Å
583P64.3Low76.7Confident66 Ų6658.4 Ų58.443%0.42935%0.346SS..PPolyproline II helixtrans-62.6133177.422.6-29.4000110.5
584S50.3Low76.7Confident107 Ų10758.1 Ų58.175%0.74835%0.346SS*.SBendtrans-79.2122.2180-47.20000110.1K582 L586K582-S584 PolarHBondContact O-N 2.64Å; S584-L586 PolarHBondContact O-N 3.04Å
585I45.5Very low77Confident168 Ų16856.6 Ų56.686%0.86233%0.334SS*.SBendtrans81.2-19157.3-57.5168.3000117.7
586L48.3Very low77.2Confident158 Ų15856.7 Ų56.783%0.82734%0.335SS*.SBendtrans-136.771.1173.9-89.2137.3000112.2S584 G588S584-L586 PolarHBondContact O-N 3.04Å; L586-G588 VanDerWaalsContact C-N 3.3Å; L586-G588 PolarHBondContact O-N 3.16Å
587G48.6Very low77.2Confident84 Ų8459.4 Ų59.487%0.86635%0.347SS*.  trans2936.5152.200000122.1
588G55.8Low77.2Confident33 Ų3356.7 Ų56.734%0.3434%0.335SS..  trans-73.3154.3175.300000112.9L586 C590L586-G588 VanDerWaalsContact C-N 3.3Å; L586-G588 PolarHBondContact O-N 3.16Å; G588-C590 PolarHBondContact O-N 2.94Å
589P62.6Low77.6Confident93 Ų9355.4 Ų55.460%0.60433%0.329SS*.  trans-59.1131.7173.725.2-32.5000110.2L594P589-L594 HydrophobicContact CB-CD1 4.19Å; P589-L594 HydrophobicContact CG-CD1 4.05Å; P589-L594 WeakPolarHBondContact O-CD1 3.31Å
590C79.7Confident77.9Confident51 Ų5155.2 Ų55.235%0.34533%0.326SS..  trans-118.7101.3179.8-1770000108.9L580 K581 G588L580-C590 VanDerWaalsContact CD2-SG 3.51Å; K581-C590 PolarHBondContact O-SG 3.2Å; G588-C590 PolarHBondContact O-N 2.94Å
591H91Very high77.9Confident20 Ų2056.2 Ų56.29%0.09334%0.335CS..  trans-149.3143.2-175.5-166.8-97.1000111.6W593 L594 M654 D655H591-W593 WeakPolarHBondContact ND1-CB 3.49Å; H591-W593 PolarHBondContact ND1-N 2.93Å; H591-W593 PolarHBondContact O-N 2.82Å; H591-W593 VanDerWaalsContact O-N 3.09Å; H591-L594 PolarHBondContact O-N 2.81Å; H591-L594 VanDerWaalsContact O-N 3.12Å; H591-M654 HydrophobicContact CB-SD 3.65Å; H591-M654 WeakPolarHBondContact ND1-CB 3.4Å; H591-D655 IonicContact CD2-OD1 3.05Å; H591-D655 IonicContact CE1-OD1 2.65Å; H591-D655 IonicContact NE2-OD1 2.97Å; H591-D655 PolarHBondContact NE2-OD1 2.82Å
592P94.4Very high78Confident0 Ų057.4 Ų57.40%034%0.338CS..Hα-helixtrans-50-32.9174.9-34.139.1000115.6F576 Q577 L594 F595 I596 F658F576-P592 HydrophobicContact CB-CB 3.82Å; F576-P592 HydrophobicContact CB-CG 3.8Å; F576-P592 HydrophobicContact CD1-CB 4.13Å; F576-P592 HydrophobicContact CG-CB 4.41Å; Q577-P592 HydrophobicContact CG-CG 3.78Å; P592-L594 VanDerWaalsContact C-N 3.27Å; P592-L594 PolarHBondContact O-N 3.18Å; P592-F595 WeakPolarHBondContact O-CB 3.49Å; P592-F595 PolarHBondContact O-N 3.39Å; P592-I596 WeakPolarHBondContact O-CG1 3.47Å; P592-I596 PolarHBondContact O-N 2.6Å; P592-F658 HydrophobicContact CB-CD2 4.46Å; P592-F658 HydrophobicContact CB-CE2 4.42Å
593W95.7Very high78.3Confident1 Ų153.4 Ų53.40%0.00432%0.321CS..Hα-helixtrans-56.1-40.4179.3-174-98.4000112.9H591 F595 I596 E597 V640 V643 N644 M654 K657 F658 L661H591-W593 WeakPolarHBondContact ND1-CB 3.49Å; H591-W593 PolarHBondContact ND1-N 2.93Å; H591-W593 PolarHBondContact O-N 2.82Å; H591-W593 VanDerWaalsContact O-N 3.09Å; W593-F595 VanDerWaalsContact C-N 3.34Å; W593-F595 PolarHBondContact O-N 3.28Å; W593-I596 PolarHBondContact O-N 3Å; W593-E597 WeakPolarHBondContact O-CB 3.42Å; W593-E597 PolarHBondContact O-N 3.03Å; W593-V640 HydrophobicContact CZ2-CG1 4.23Å; W593-V643 HydrophobicContact CH2-CB 3.94Å; W593-V643 HydrophobicContact CH2-CG1 3.48Å; W593-V643 VanDerWaalsContact CH2-CG1 3.48Å; W593-V643 HydrophobicContact CZ2-CB 4.39Å; W593-V643 HydrophobicContact CZ2-CG1 3.89Å; W593-V643 HydrophobicContact CZ3-CG1 4.32Å; W593-N644 VanDerWaalsContact CZ2-OD1 3.32Å; W593-N644 WeakPolarHBondContact CZ2-OD1 3.22Å; W593-N644 PolarHBondContact NE1-OD1 3.45Å; W593-M654 HydrophobicContact CB-CB 3.87Å; W593-M654 HydrophobicContact CB-CG 4.17Å; W593-M654 HydrophobicContact CB-SD 4.21Å; W593-M654 HydrophobicContact CG-CB 4.23Å; W593-M654 HydrophobicContact CG-CG 4.28Å; W593-K657 HydrophobicContact CD2-CB 3.66Å; W593-K657 HydrophobicContact CD2-CD 4.1Å; W593-K657 VanDerWaalsContact CE2-CD 3.49Å; W593-K657 HydrophobicContact CE3-CB 3.66Å; W593-K657 HydrophobicContact CG-CB 4.44Å; W593-K657 HydrophobicContact CG-CD 4.45Å; W593-K657 HydrophobicContact CH2-CB 3.76Å; W593-K657 HydrophobicContact CZ2-CB 3.75Å; W593-K657 HydrophobicContact CZ2-CD 3.78Å; W593-K657 HydrophobicContact CZ2-CG 4.33Å; W593-K657 HydrophobicContact CZ3-CB 3.71Å; W593-K657 WeakPolarHBondContact CZ3-O 3.43Å; W593-F658 HydrophobicContact CE3-CB 4.29Å; W593-L661 HydrophobicContact CH2-CB 4.26Å; W593-L661 HydrophobicContact CH2-CD2 4.38Å; W593-L661 HydrophobicContact CZ3-CB 3.8Å; W593-L661 HydrophobicContact CZ3-CD2 3.86Å; W593-L661 HydrophobicContact CZ3-CG 4.42Å
594L92.9Very high78.9Confident33 Ų3350.5 Ų50.517%0.17330%0.302CS..Hα-helixtrans-67.1-37.1-179.1-64.1173000111.9P589 H591 P592 E598 M654 W688P589-L594 HydrophobicContact CB-CD1 4.19Å; P589-L594 HydrophobicContact CG-CD1 4.05Å; P589-L594 WeakPolarHBondContact O-CD1 3.31Å; H591-L594 PolarHBondContact O-N 2.81Å; H591-L594 VanDerWaalsContact O-N 3.12Å; P592-L594 VanDerWaalsContact C-N 3.27Å; P592-L594 PolarHBondContact O-N 3.18Å; L594-E598 PolarHBondContact O-N 3.19Å; L594-E598 VanDerWaalsContact O-N 3.16Å; L594-M654 HydrophobicContact CD1-CE 4.28Å; L594-M654 HydrophobicContact CD2-CE 3.61Å; L594-M654 HydrophobicContact CD2-SD 4.32Å; L594-M654 HydrophobicContact CG-CE 3.96Å; L594-M654 HydrophobicContact CG-SD 4.08Å; L594-W688 HydrophobicContact CB-CH2 3.45Å; L594-W688 VanDerWaalsContact CB-CH2 3.45Å; L594-W688 HydrophobicContact CB-CZ2 3.86Å; L594-W688 HydrophobicContact CB-CZ3 4.08Å; L594-W688 HydrophobicContact CD1-CH2 3.98Å; L594-W688 HydrophobicContact CD1-CZ3 4.46Å; L594-W688 HydrophobicContact CG-CH2 4.36Å
595F94.8Very high80.2Confident0 Ų051.8 Ų51.80%030%0.297CS..Hα-helixtrans-64.3-46.8171.8158-106.9000111.2F576 P592 W593 E597 E598 A599 L678 A684 V685 W688 Y689 L695F576-F595 HydrophobicContact CD1-CD1 4.34Å; F576-F595 HydrophobicContact CD1-CE1 4.42Å; F576-F595 HydrophobicContact CE1-CD1 4.29Å; F576-F595 HydrophobicContact CE1-CE1 4.04Å; P592-F595 WeakPolarHBondContact O-CB 3.49Å; P592-F595 PolarHBondContact O-N 3.39Å; W593-F595 VanDerWaalsContact C-N 3.34Å; W593-F595 PolarHBondContact O-N 3.28Å; F595-E597 VanDerWaalsContact C-N 3.32Å; F595-E597 PolarHBondContact O-N 2.82Å; F595-E598 PolarHBondContact O-N 3.37Å; F595-A599 HydrophobicContact CD2-CB 4.43Å; F595-A599 HydrophobicContact CE2-CB 4Å; F595-A599 HydrophobicContact CZ-CB 4.23Å; F595-A599 VanDerWaalsContact O-CB 3.29Å; F595-A599 WeakPolarHBondContact O-CB 3.31Å; F595-A599 PolarHBondContact O-N 3.43Å; F595-L678 HydrophobicContact CE1-CB 4.11Å; F595-L678 HydrophobicContact CE1-CD2 4.25Å; F595-L678 HydrophobicContact CZ-CB 4.09Å; F595-L678 HydrophobicContact CZ-CD2 4.48Å; F595-A684 HydrophobicContact CD2-CB 4.32Å; F595-A684 HydrophobicContact CE2-CB 4.08Å; F595-V685 HydrophobicContact CE2-CG2 3.8Å; F595-V685 HydrophobicContact CZ-CG2 3.88Å; F595-W688 HydrophobicContact CB-CB 4.15Å; F595-W688 HydrophobicContact CB-CD2 4.03Å; F595-W688 HydrophobicContact CB-CG 3.84Å; F595-W688 HydrophobicContact CD2-CB 3.97Å; F595-W688 AromaticContact CD2-CD1 3.81Å; F595-W688 HydrophobicContact CD2-CG 4.01Å; F595-W688 HydrophobicContact CG-CB 4.35Å; F595-W688 HydrophobicContact CG-CG 4.36Å; F595-Y689 HydrophobicContact CB-CE2 4.24Å; F595-Y689 AromaticContact CD1-CE2 3.71Å; F595-Y689 HydrophobicContact CD1-CE2 3.71Å; F595-Y689 HydrophobicContact CD2-CD2 4.38Å; F595-Y689 AromaticContact CD2-CE2 3.93Å; F595-Y689 HydrophobicContact CD2-CE2 3.93Å; F595-Y689 HydrophobicContact CE1-CE2 4.01Å; F595-Y689 HydrophobicContact CE2-CD2 4.48Å; F595-Y689 HydrophobicContact CE2-CE2 4.22Å; F595-Y689 AromaticContact CG-CE2 3.66Å; F595-Y689 HydrophobicContact CG-CE2 3.66Å; F595-Y689 HydrophobicContact CZ-CE2 4.25Å; F595-L695 HydrophobicContact CD1-CD2 4.18Å; F595-L695 HydrophobicContact CE1-CD2 3.46Å; F595-L695 VanDerWaalsContact CE1-CD2 3.46Å; F595-L695 HydrophobicContact CZ-CD2 3.96Å
596I96.4Very high81.4Confident3 Ų354.2 Ų54.22%0.01530%0.295CS..Hα-helixtrans-59.7-44.6-179.5-69.6166.1000110.9F576 P592 W593 A600 V640 F658 L661 L678F576-I596 HydrophobicContact CD1-CD1 4.24Å; F576-I596 HydrophobicContact CD1-CG1 4.44Å; F576-I596 HydrophobicContact CE1-CD1 3.96Å; F576-I596 HydrophobicContact CE1-CG1 3.98Å; P592-I596 WeakPolarHBondContact O-CG1 3.47Å; P592-I596 PolarHBondContact O-N 2.6Å; W593-I596 PolarHBondContact O-N 3Å; I596-A600 WeakPolarHBondContact O-CB 3.3Å; I596-A600 PolarHBondContact O-N 3.34Å; I596-V640 HydrophobicContact CG2-CG2 3.92Å; I596-F658 HydrophobicContact CD1-CD2 3.71Å; I596-F658 HydrophobicContact CD1-CE2 3.75Å; I596-L661 HydrophobicContact CD1-CD2 4.44Å; I596-L661 HydrophobicContact CG2-CD2 3.6Å; I596-L678 HydrophobicContact CB-CD2 4.34Å; I596-L678 HydrophobicContact CG1-CD1 4.11Å; I596-L678 HydrophobicContact CG1-CD2 4.23Å; I596-L678 HydrophobicContact CG2-CD2 4.28Å
597E93.2Very high82.3Confident64 Ų6450.5 Ų50.530%0.29928%0.276SS..Hα-helixtrans-62.4-44.5178.6-178.4172.4-131.400112.4W593 F595 S601 V640 N644W593-E597 WeakPolarHBondContact O-CB 3.42Å; W593-E597 PolarHBondContact O-N 3.03Å; F595-E597 VanDerWaalsContact C-N 3.32Å; F595-E597 PolarHBondContact O-N 2.82Å; E597-S601 WeakPolarHBondContact O-CB 3.4Å; E597-S601 PolarHBondContact O-N 2.85Å; E597-S601 VanDerWaalsContact O-N 3.15Å; E597-S601 PolarHBondContact O-OG 2.87Å; E597-V640 HydrophobicContact CB-CG1 4.45Å; E597-V640 HydrophobicContact CG-CG1 4.49Å; E597-N644 PolarHBondContact OE1-ND2 2.94Å
598E92.4Very high83.3Confident36 Ų3650.3 Ų50.317%0.16825%0.251CS..Hα-helixtrans-67.9-45.9177.3-179.6169.5179.800112.2L594 F595 S601 R602 K687 W688L594-E598 PolarHBondContact O-N 3.19Å; L594-E598 VanDerWaalsContact O-N 3.16Å; F595-E598 PolarHBondContact O-N 3.37Å; E598-S601 PolarHBondContact O-N 2.96Å; E598-R602 WeakPolarHBondContact O-CG 3.47Å; E598-R602 PolarHBondContact O-N 3.41Å; E598-R602 VanDerWaalsContact O-N 3.09Å; E598-R602 IonicContact OE1-CZ 2.99Å; E598-R602 IonicContact OE1-NE 3.19Å; E598-R602 PolarHBondContact OE1-NE 2.99Å; E598-R602 IonicContact OE1-NH2 3.05Å; E598-R602 PolarHBondContact OE1-NH2 3.05Å; E598-K687 WeakPolarHBondContact OE1-CD 3.22Å; E598-K687 IonicContact OE1-NZ 2.77Å; E598-K687 PolarHBondContact OE1-NZ 3.07Å; E598-K687 IonicContact OE2-NZ 3.14Å; E598-K687 PolarHBondContact OE2-NZ 2.86Å; E598-W688 PolarHBondContact OE2-NE1 3.12Å
599A93.1Very high83.5Confident0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-61.9-50.5178.900000110.7F595 S601 R602 E603 L678 A684F595-A599 HydrophobicContact CD2-CB 4.43Å; F595-A599 HydrophobicContact CE2-CB 4Å; F595-A599 HydrophobicContact CZ-CB 4.23Å; F595-A599 VanDerWaalsContact O-CB 3.29Å; F595-A599 WeakPolarHBondContact O-CB 3.31Å; F595-A599 PolarHBondContact O-N 3.43Å; A599-S601 VanDerWaalsContact C-N 3.25Å; A599-S601 PolarHBondContact O-N 2.77Å; A599-R602 PolarHBondContact O-N 3.44Å; A599-R602 VanDerWaalsContact O-N 3.13Å; A599-E603 WeakPolarHBondContact O-CG 3.33Å; A599-E603 PolarHBondContact O-N 3.21Å; A599-L678 HydrophobicContact CB-CD2 3.63Å; A599-A684 HydrophobicContact CB-CB 4.06Å
600A89.8Confident83.7Confident1 Ų153.7 Ų53.71%0.00826%0.262CS..Hα-helixtrans-58.8-35.9178.700000112.9I596 L636 V640I596-A600 WeakPolarHBondContact O-CB 3.3Å; I596-A600 PolarHBondContact O-N 3.34Å; A600-L636 HydrophobicContact CB-CD2 4.12Å; A600-L636 HydrophobicContact CB-CG 3.93Å; A600-V640 HydrophobicContact CB-CG2 4.07Å
601S87.1Confident83Confident44 Ų4451.5 Ų51.531%0.30825%0.247SC..Hα-helixtrans-70.8-37.6178-59.20000112.7E597 E598 A599 V604 E605E597-S601 WeakPolarHBondContact O-CB 3.4Å; E597-S601 PolarHBondContact O-N 2.85Å; E597-S601 VanDerWaalsContact O-N 3.15Å; E597-S601 PolarHBondContact O-OG 2.87Å; E598-S601 PolarHBondContact O-N 2.96Å; A599-S601 VanDerWaalsContact C-N 3.25Å; A599-S601 PolarHBondContact O-N 2.77Å; S601-V604 WeakPolarHBondContact O-CG2 3.31Å; S601-E605 PolarHBondContact O-N 2.77Å
602R86.8Confident81.6Confident90 Ų9056.5 Ų56.534%0.3427%0.266SS..Hα-helixtrans-68.9-37.3-179.9-75.8173.2179.7-120.77.1113E598 A599 V604 E605E598-R602 WeakPolarHBondContact O-CG 3.47Å; E598-R602 PolarHBondContact O-N 3.41Å; E598-R602 VanDerWaalsContact O-N 3.09Å; E598-R602 IonicContact OE1-CZ 2.99Å; E598-R602 IonicContact OE1-NE 3.19Å; E598-R602 PolarHBondContact OE1-NE 2.99Å; E598-R602 IonicContact OE1-NH2 3.05Å; E598-R602 PolarHBondContact OE1-NH2 3.05Å; A599-R602 PolarHBondContact O-N 3.44Å; A599-R602 VanDerWaalsContact O-N 3.13Å; R602-V604 PolarHBondContact O-N 3.03Å; R602-E605 WeakPolarHBondContact O-CB 3.46Å; R602-E605 PolarHBondContact O-N 3.49Å; R602-E605 VanDerWaalsContact O-N 3.14Å
603E81.8Confident80Confident69 Ų6959.5 Ų59.532%0.32229%0.287SS..Hα-helixtrans-63.5-25.8-178.1-64-54.2125.600113.1A599 E633 V677 S681A599-E603 WeakPolarHBondContact O-CG 3.33Å; A599-E603 PolarHBondContact O-N 3.21Å; E603-E633 HydrophobicContact CB-CB 4.27Å; E603-E633 HydrophobicContact CB-CG 4.38Å; E603-V677 HydrophobicContact CB-CG1 4.41Å; E603-V677 HydrophobicContact CG-CG1 3.74Å; E603-S681 WeakPolarHBondContact OE1-CA 3.24Å; E603-S681 WeakPolarHBondContact OE1-CB 3.37Å; E603-S681 PolarHBondContact OE1-OG 3.11Å
604V76.9Confident78.5Confident5 Ų563 Ų633%0.0330%0.3CS..THydrogen-bonded Turntrans-103.50.7177.9-60.40000113.5S601 R602 R606 D607 F608 V611 Y637S601-V604 WeakPolarHBondContact O-CG2 3.31Å; R602-V604 PolarHBondContact O-N 3.03Å; V604-R606 PolarHBondContact O-N 3.3Å; V604-D607 CarbonylContact O-C 3.52Å; V604-D607 PolarHBondContact O-N 3.45Å; V604-F608 HydrophobicContact CG2-CD2 4.47Å; V604-F608 WeakPolarHBondContact O-CA 3.45Å; V604-F608 PolarHBondContact O-N 3.2Å; V604-V611 HydrophobicContact CB-CG1 4.41Å; V604-V611 HydrophobicContact CB-CG2 4.46Å; V604-V611 HydrophobicContact CG1-CG1 4.29Å; V604-Y637 HydrophobicContact CG1-CG 4.2Å; V604-Y637 HydrophobicContact CG2-CD1 4.11Å; V604-Y637 HydrophobicContact CG2-CD2 3.47Å; V604-Y637 VanDerWaalsContact CG2-CD2 3.47Å; V604-Y637 HydrophobicContact CG2-CE1 4.42Å; V604-Y637 HydrophobicContact CG2-CE2 3.83Å; V604-Y637 HydrophobicContact CG2-CG 3.64Å
605E78Confident77Confident135 Ų13562.7 Ų62.763%0.63130%0.299SS*.G310 helixtrans-63.5-40.9-171.2-172173.8-167.400112.6S601 R602 D607 F608S601-E605 PolarHBondContact O-N 2.77Å; R602-E605 WeakPolarHBondContact O-CB 3.46Å; R602-E605 PolarHBondContact O-N 3.49Å; R602-E605 VanDerWaalsContact O-N 3.14Å; E605-D607 PolarHBondContact O-N 2.66Å; E605-F608 WeakPolarHBondContact O-CB 3.49Å; E605-F608 PolarHBondContact O-N 2.78Å
606R69.3Low75.3Confident219 Ų21965.3 Ų65.383%0.82632%0.315SS*.G310 helixtrans-62.5-32.7179.9-170-178.268.2-162.5-4.3112.7V604V604-R606 PolarHBondContact O-N 3.3Å
607D68.9Low73.2Confident79 Ų7969.1 Ų69.142%0.42234%0.335SS..G310 helixtrans-116.620.2-174.1-65.4-57.8000111.6V604 E605 N609 S610 V611V604-D607 CarbonylContact O-C 3.52Å; V604-D607 PolarHBondContact O-N 3.45Å; E605-D607 PolarHBondContact O-N 2.66Å; D607-N609 PolarHBondContact O-N 3.38Å; D607-S610 WeakPolarHBondContact O-CA 3.45Å; D607-S610 WeakPolarHBondContact O-CB 3.47Å; D607-S610 PolarHBondContact O-N 3.43Å; D607-V611 HydrophobicContact CB-CG2 4.24Å; D607-V611 WeakPolarHBondContact O-CG2 3.2Å; D607-V611 PolarHBondContact O-N 3.2Å
608F69.5Low71.2Confident80 Ų8067.9 Ų67.935%0.35133%0.333SS..Hα-helixtrans-54.2-47.3-167.4-175-92.9000113V604 E605 S610 V611 Y612 Y637V604-F608 HydrophobicContact CG2-CD2 4.47Å; V604-F608 WeakPolarHBondContact O-CA 3.45Å; V604-F608 PolarHBondContact O-N 3.2Å; E605-F608 WeakPolarHBondContact O-CB 3.49Å; E605-F608 PolarHBondContact O-N 2.78Å; F608-S610 VanDerWaalsContact C-N 3.28Å; F608-S610 PolarHBondContact O-N 3.43Å; F608-V611 PolarHBondContact O-N 3.04Å; F608-Y612 HydrophobicContact CE1-CD2 4.42Å; F608-Y612 HydrophobicContact CE1-CG 4.36Å; F608-Y612 HydrophobicContact CZ-CD2 4.23Å; F608-Y612 WeakPolarHBondContact O-CB 3.49Å; F608-Y612 PolarHBondContact O-N 3.21Å; F608-Y637 WeakPolarHBondContact CE2-OH 3.48Å
609N60.1Low69.1Low128 Ų12873 Ų7368%0.68436%0.355SS*.Hα-helixtrans-63.2-34.9-179.9-70.3-32.9000112.4D607 S613D607-N609 PolarHBondContact O-N 3.38Å; N609-S613 WeakPolarHBondContact O-CB 3.44Å; N609-S613 PolarHBondContact O-N 3.32Å; N609-S613 VanDerWaalsContact O-N 3.09Å; N609-S613 PolarHBondContact O-OG 3.22Å
610S66.6Low66.8Low70 Ų7077.4 Ų77.449%0.4938%0.382SS..Hα-helixtrans-74.5-45.3178.5179.60000111.5D607 F608 R614D607-S610 WeakPolarHBondContact O-CA 3.45Å; D607-S610 WeakPolarHBondContact O-CB 3.47Å; D607-S610 PolarHBondContact O-N 3.43Å; F608-S610 VanDerWaalsContact C-N 3.28Å; F608-S610 PolarHBondContact O-N 3.43Å; S610-R614 WeakPolarHBondContact O-CB 3.46Å; S610-R614 PolarHBondContact O-N 3.42Å; S610-R614 VanDerWaalsContact O-N 3.07Å
611V64.1Low64.3Low5 Ų584.7 Ų84.73%0.0341%0.41CS..Hα-helixtrans-65.1-49.6177.7175.60000110.6V604 D607 F608 S613 R614 L615 E634V604-V611 HydrophobicContact CB-CG1 4.41Å; V604-V611 HydrophobicContact CB-CG2 4.46Å; V604-V611 HydrophobicContact CG1-CG1 4.29Å; D607-V611 HydrophobicContact CB-CG2 4.24Å; D607-V611 WeakPolarHBondContact O-CG2 3.2Å; D607-V611 PolarHBondContact O-N 3.2Å; F608-V611 PolarHBondContact O-N 3.04Å; V611-S613 PolarHBondContact O-N 3.22Å; V611-R614 PolarHBondContact O-N 3.43Å; V611-L615 HydrophobicContact CG1-CD1 3.71Å; V611-L615 HydrophobicContact CG1-CG 4.23Å; V611-L615 WeakPolarHBondContact O-CB 3.2Å; V611-L615 VanDerWaalsContact O-CG 3.31Å; V611-L615 WeakPolarHBondContact O-CG 3.27Å; V611-L615 PolarHBondContact O-N 2.79Å; V611-E634 HydrophobicContact CG1-CG 4.29Å; V611-E634 HydrophobicContact CG2-CG 4.22Å
612Y62.1Low62.2Low124 Ų12492.5 Ų92.549%0.48643%0.433SS..Hα-helixtrans-60.7-47178.7-172-97.9000111.5F608 R614 L615 V616F608-Y612 HydrophobicContact CE1-CD2 4.42Å; F608-Y612 HydrophobicContact CE1-CG 4.36Å; F608-Y612 HydrophobicContact CZ-CD2 4.23Å; F608-Y612 WeakPolarHBondContact O-CB 3.49Å; F608-Y612 PolarHBondContact O-N 3.21Å; Y612-R614 VanDerWaalsContact C-N 3.3Å; Y612-R614 PolarHBondContact O-N 2.91Å; Y612-L615 PolarHBondContact O-N 2.63Å; Y612-V616 HydrophobicContact CD1-CG2 3.96Å; Y612-V616 HydrophobicContact CD2-CG2 4.38Å; Y612-V616 HydrophobicContact CE1-CG2 3.66Å; Y612-V616 HydrophobicContact CE2-CG2 4.1Å; Y612-V616 HydrophobicContact CG-CG2 4.31Å; Y612-V616 WeakPolarHBondContact O-CB 3.31Å; Y612-V616 VanDerWaalsContact O-CG2 3.22Å; Y612-V616 WeakPolarHBondContact O-CG2 3.3Å; Y612-V616 PolarHBondContact O-N 3.4Å
613S61.6Low60.1Low64 Ų6493.1 Ų93.145%0.44844%0.442SS..Hα-helixtrans-57.6-43.8176.1-62.30000111.6N609 V611 L617N609-S613 WeakPolarHBondContact O-CB 3.44Å; N609-S613 PolarHBondContact O-N 3.32Å; N609-S613 VanDerWaalsContact O-N 3.09Å; N609-S613 PolarHBondContact O-OG 3.22Å; V611-S613 PolarHBondContact O-N 3.22Å; S613-L617 VanDerWaalsContact O-CB 3.24Å; S613-L617 WeakPolarHBondContact O-CB 3.44Å; S613-L617 WeakPolarHBondContact O-CD1 3.24Å; S613-L617 WeakPolarHBondContact O-CG 3.19Å; S613-L617 PolarHBondContact O-N 3.43Å
614R62.2Low58.3Low73 Ų7394.3 Ų94.328%0.27545%0.451SS..Hα-helixtrans-67.6-45.8179.5-168.1178-6.3135.69.3112.5S610 V611 Y612 V616 L617 C618 E634S610-R614 WeakPolarHBondContact O-CB 3.46Å; S610-R614 PolarHBondContact O-N 3.42Å; S610-R614 VanDerWaalsContact O-N 3.07Å; V611-R614 PolarHBondContact O-N 3.43Å; Y612-R614 VanDerWaalsContact C-N 3.3Å; Y612-R614 PolarHBondContact O-N 2.91Å; R614-V616 PolarHBondContact O-N 3.26Å; R614-L617 PolarHBondContact O-N 2.98Å; R614-C618 WeakPolarHBondContact O-CB 3.47Å; R614-C618 PolarHBondContact O-N 3.34Å; R614-C618 PolarHBondContact O-SG 2.79Å; R614-E634 IonicContact CZ-OE1 2.7Å; R614-E634 IonicContact CZ-OE2 3.96Å; R614-E634 IonicContact NH1-OE1 2.68Å; R614-E634 PolarHBondContact NH1-OE1 3.32Å; R614-E634 IonicContact NH1-OE2 2.73Å; R614-E634 PolarHBondContact NH1-OE2 3.18Å; R614-E634 IonicContact NH2-OE1 2.99Å; R614-E634 PolarHBondContact NH2-OE1 3.08Å
615L62.6Low57.1Low27 Ų2799.1 Ų99.114%0.14147%0.473CS..Hα-helixtrans-63.6-39.8178.4-71176000112.2V611 Y612 K619 L630 Y637 R638V611-L615 HydrophobicContact CG1-CD1 3.71Å; V611-L615 HydrophobicContact CG1-CG 4.23Å; V611-L615 WeakPolarHBondContact O-CB 3.2Å; V611-L615 VanDerWaalsContact O-CG 3.31Å; V611-L615 WeakPolarHBondContact O-CG 3.27Å; V611-L615 PolarHBondContact O-N 2.79Å; Y612-L615 PolarHBondContact O-N 2.63Å; L615-K619 WeakPolarHBondContact O-CB 3.42Å; L615-K619 PolarHBondContact O-N 3.34Å; L615-L630 HydrophobicContact CD2-CD1 4.19Å; L615-L630 HydrophobicContact CD2-CD2 4.48Å; L615-Y637 HydrophobicContact CD1-CD1 3.83Å; L615-Y637 HydrophobicContact CD1-CE1 4.1Å; L615-R638 HydrophobicContact CD1-CB 4.29Å; L615-R638 HydrophobicContact CD2-CB 3.99Å; L615-R638 HydrophobicContact CD2-CG 3.96Å
616V58.3Low55.3Low55 Ų5599.6 Ų99.633%0.33348%0.48SS..Hα-helixtrans-68.8-46.3176172.80000110.6Y612 R614 C618 K619 T620Y612-V616 HydrophobicContact CD1-CG2 3.96Å; Y612-V616 HydrophobicContact CD2-CG2 4.38Å; Y612-V616 HydrophobicContact CE1-CG2 3.66Å; Y612-V616 HydrophobicContact CE2-CG2 4.1Å; Y612-V616 HydrophobicContact CG-CG2 4.31Å; Y612-V616 WeakPolarHBondContact O-CB 3.31Å; Y612-V616 VanDerWaalsContact O-CG2 3.22Å; Y612-V616 WeakPolarHBondContact O-CG2 3.3Å; Y612-V616 PolarHBondContact O-N 3.4Å; R614-V616 PolarHBondContact O-N 3.26Å; V616-C618 PolarHBondContact O-N 2.82Å; V616-K619 PolarHBondContact O-N 3.25Å; V616-T620 VanDerWaalsContact O-CB 3.3Å; V616-T620 WeakPolarHBondContact O-CB 3.43Å; V616-T620 PolarHBondContact O-N 3.08Å; V616-T620 PolarHBondContact O-OG1 2.94Å
617L52.2Low54.3Low83 Ų8392.9 Ų92.944%0.43548%0.479SS..Hα-helixtrans-61.9-44179.7-73.6169.2000112.5S613 R614 K619 T620 Y621S613-L617 VanDerWaalsContact O-CB 3.24Å; S613-L617 WeakPolarHBondContact O-CB 3.44Å; S613-L617 WeakPolarHBondContact O-CD1 3.24Å; S613-L617 WeakPolarHBondContact O-CG 3.19Å; S613-L617 PolarHBondContact O-N 3.43Å; R614-L617 PolarHBondContact O-N 2.98Å; L617-K619 VanDerWaalsContact C-N 3.31Å; L617-K619 PolarHBondContact O-N 3.48Å; L617-T620 PolarHBondContact O-N 3.03Å; L617-Y621 HydrophobicContact CD2-CD2 3.71Å; L617-Y621 HydrophobicContact CD2-CE2 3.55Å; L617-Y621 PolarHBondContact O-N 3.48Å
618C52Low53.6Low38 Ų3897.3 Ų97.326%0.25749%0.494SS..Hα-helixtrans-60.3-40.6175.7-67.80000111.9R614 V616 R622R614-C618 WeakPolarHBondContact O-CB 3.47Å; R614-C618 PolarHBondContact O-N 3.34Å; R614-C618 PolarHBondContact O-SG 2.79Å; V616-C618 PolarHBondContact O-N 2.82Å; C618-R622 PolarHBondContact O-N 3.45Å
619K48.8Very low53.3Low144 Ų14495.3 Ų95.363%0.62649%0.488SS*.Hα-helixtrans-74-39.4179.9-170.2176.8-179.5-1790112.9L615 V616 L617L615-K619 WeakPolarHBondContact O-CB 3.42Å; L615-K619 PolarHBondContact O-N 3.34Å; V616-K619 PolarHBondContact O-N 3.25Å; L617-K619 VanDerWaalsContact C-N 3.31Å; L617-K619 PolarHBondContact O-N 3.48Å
620T43.3Very low54Low93 Ų9390.2 Ų90.257%0.57146%0.461SS*.Hα-helixtrans-79.7-37.6-173.9-61.90000112.7V616 L617V616-T620 VanDerWaalsContact O-CB 3.3Å; V616-T620 WeakPolarHBondContact O-CB 3.43Å; V616-T620 PolarHBondContact O-N 3.08Å; V616-T620 PolarHBondContact O-OG1 2.94Å; L617-T620 PolarHBondContact O-N 3.03Å
621Y37.7Very low54.7Low153 Ų15389.2 Ų89.260%0.645%0.452SS*.Hα-helixtrans-103.41-172.8-70.3-83.7000114.4L617 L623L617-Y621 HydrophobicContact CD2-CD2 3.71Å; L617-Y621 HydrophobicContact CD2-CE2 3.55Å; L617-Y621 PolarHBondContact O-N 3.48Å; Y621-L623 HydrophobicContact CG-CD1 4.34Å; Y621-L623 PolarHBondContact O-N 3.26Å
622R43.8Very low55.8Low209 Ų20989 Ų8979%0.78945%0.451SS*.  trans47.127.7-172.5-59.9-179.1176.9171.5-1.3112.6C618 D624C618-R622 PolarHBondContact O-N 3.45Å; R622-D624 PolarHBondContact O-N 2.8Å
623L43Very low57Low103 Ų10386 Ų8654%0.53944%0.441SS..  trans-59.6129.2179.6-71.4161.3000106.7Y621 E625Y621-L623 HydrophobicContact CG-CD1 4.34Å; Y621-L623 PolarHBondContact O-N 3.26Å; L623-E625 PolarHBondContact O-N 3.25Å
624D44Very low58Low93 Ų9383.9 Ų83.950%0.49742%0.424SS..  trans-49.3133.1168.6-78.3-37.5000107.3R487 R622 D626R487-D624 IonicContact NH1-OD1 3.78Å; R487-D624 IonicContact NH2-OD1 3.8Å; R622-D624 PolarHBondContact O-N 2.8Å; D624-D626 PolarHBondContact O-N 3.23Å
625E51.1Low59.1Low106 Ų10680.9 Ų80.950%0.49541%0.414SS..  trans-6955.4176.2-68.4-176.8161.600108.9L623 G627 R638L623-E625 PolarHBondContact O-N 3.25Å; E625-G627 VanDerWaalsContact C-N 3.34Å; E625-G627 PolarHBondContact O-N 3.44Å; E625-R638 IonicContact OE1-NH1 3.8Å; E625-R638 PolarHBondContact OE1-NH1 3.03Å
626D40.9Very low60.4Low146 Ų14679.7 Ų79.778%0.78141%0.407SS*.  trans-65.691.6-171.4-86.9-23.3000109.5D624D624-D626 PolarHBondContact O-N 3.23Å
627G47.9Very low61.7Low78 Ų7878 Ų7880%0.80440%0.395SS*.SBendtrans95.6-7.9154.700000117.3E625E625-G627 VanDerWaalsContact C-N 3.34Å; E625-G627 PolarHBondContact O-N 3.44Å
628K54Low63.2Low171 Ų17178 Ų7874%0.74339%0.39SS*.  trans-116.197.5176.6-72.7-169.7-179.7-178.30112.3L630K628-L630 PolarHBondContact O-N 2.83Å
629V63.8Low64.9Low38 Ų3876.4 Ų76.423%0.2338%0.379CS..PPolyproline II helixtrans-53.9122.8166.9173.20000109.3F478 L479 S482 R483F478-V629 HydrophobicContact CE1-CG1 3.65Å; F478-V629 HydrophobicContact CZ-CG1 3.81Å; L479-V629 HydrophobicContact CD2-CB 4.17Å; L479-V629 HydrophobicContact CD2-CG1 3.92Å; S482-V629 WeakPolarHBondContact OG-CG1 3.47Å; S482-V629 WeakPolarHBondContact OG-CG2 3.24Å; R483-V629 HydrophobicContact CG-CG2 4.06Å
630L73.7Confident66.8Low22 Ų2269.6 Ų69.612%0.11535%0.349CS..PPolyproline II helixtrans-60.1140172-69.1177000109.6F478 L615 K628 E634 L635F478-L630 WeakPolarHBondContact CE1-O 3.38Å; F478-L630 VanDerWaalsContact CZ-O 3.31Å; F478-L630 WeakPolarHBondContact CZ-O 3.46Å; L615-L630 HydrophobicContact CD2-CD1 4.19Å; L615-L630 HydrophobicContact CD2-CD2 4.48Å; K628-L630 PolarHBondContact O-N 2.83Å; L630-E634 HydrophobicContact CB-CB 4.31Å; L630-E634 HydrophobicContact CD2-CB 4.22Å; L630-E634 WeakPolarHBondContact CD2-OE2 3.48Å; L630-L635 HydrophobicContact CD1-CD1 4.32Å
631T82.3Confident68.8Low48 Ų4868.6 Ų68.629%0.29434%0.338SS..PPolyproline II helixtrans-70.2158.3173.978.30000110.3E633 E634 L635T631-E633 WeakPolarHBondContact CB-OE2 3.29Å; T631-E633 PolarHBondContact O-N 3.13Å; T631-E633 VanDerWaalsContact O-N 3.17Å; T631-E633 PolarHBondContact OG1-OE2 2.99Å; T631-E634 PolarHBondContact N-OE2 3.17Å; T631-E634 VanDerWaalsContact N-OE2 3.15Å; T631-E634 PolarHBondContact O-N 3.06Å; T631-E634 VanDerWaalsContact O-N 3.15Å; T631-E634 WeakPolarHBondContact OG1-CG 3.38Å; T631-E634 PolarHBondContact OG1-N 2.87Å; T631-L635 WeakPolarHBondContact O-CB 3.43Å; T631-L635 PolarHBondContact O-N 3.26Å
632P87.5Confident70.9Confident2 Ų262.8 Ų62.81%0.01332%0.322CS..Hα-helixtrans-53.6-34176.6-28.337.2000113.9F478 L636 L673 W674 V677F478-P632 HydrophobicContact CD1-CG 4.14Å; F478-P632 HydrophobicContact CE1-CG 4.06Å; F478-P632 HydrophobicContact CZ-CG 4.5Å; P632-L636 WeakPolarHBondContact O-CB 3.4Å; P632-L636 PolarHBondContact O-N 2.68Å; P632-L673 HydrophobicContact CB-CB 4.04Å; P632-L673 HydrophobicContact CG-CB 4.29Å; P632-L673 HydrophobicContact CG-CD1 3.92Å; P632-W674 PolarHBondContact O-NE1 3.11Å; P632-V677 HydrophobicContact CB-CG2 4.22Å
633E87.1Confident73Confident59 Ų5952.9 Ų52.928%0.27628%0.284SS..Hα-helixtrans-65.9-49.8176.3-56.775.4-168.400111.7E603 T631 L635 L636 Y637 V677E603-E633 HydrophobicContact CB-CB 4.27Å; E603-E633 HydrophobicContact CB-CG 4.38Å; T631-E633 WeakPolarHBondContact CB-OE2 3.29Å; T631-E633 PolarHBondContact O-N 3.13Å; T631-E633 VanDerWaalsContact O-N 3.17Å; T631-E633 PolarHBondContact OG1-OE2 2.99Å; E633-L635 VanDerWaalsContact C-N 3.28Å; E633-L635 PolarHBondContact O-N 3.24Å; E633-L636 PolarHBondContact O-N 3.12Å; E633-Y637 PolarHBondContact O-N 2.97Å; E633-V677 HydrophobicContact CB-CG1 4.37Å; E633-V677 HydrophobicContact CG-CG1 3.9Å; E633-V677 HydrophobicContact CG-CG2 3.84Å
634E82.3Confident75Confident21 Ų2148.4 Ų48.410%0.09826%0.261CS..Hα-helixtrans-63.4-38.1178-65.8175150.400111.3V611 R614 L630 T631 R638V611-E634 HydrophobicContact CG1-CG 4.29Å; V611-E634 HydrophobicContact CG2-CG 4.22Å; R614-E634 IonicContact CZ-OE1 2.7Å; R614-E634 IonicContact CZ-OE2 3.96Å; R614-E634 IonicContact NH1-OE1 2.68Å; R614-E634 PolarHBondContact NH1-OE1 3.32Å; R614-E634 IonicContact NH1-OE2 2.73Å; R614-E634 PolarHBondContact NH1-OE2 3.18Å; R614-E634 IonicContact NH2-OE1 2.99Å; R614-E634 PolarHBondContact NH2-OE1 3.08Å; L630-E634 HydrophobicContact CB-CB 4.31Å; L630-E634 HydrophobicContact CD2-CB 4.22Å; L630-E634 WeakPolarHBondContact CD2-OE2 3.48Å; T631-E634 PolarHBondContact N-OE2 3.17Å; T631-E634 VanDerWaalsContact N-OE2 3.15Å; T631-E634 PolarHBondContact O-N 3.06Å; T631-E634 VanDerWaalsContact O-N 3.15Å; T631-E634 WeakPolarHBondContact OG1-CG 3.38Å; T631-E634 PolarHBondContact OG1-N 2.87Å; E634-R638 WeakPolarHBondContact O-CB 3.44Å; E634-R638 PolarHBondContact O-N 3.4Å
635L84.7Confident76.9Confident10 Ų1049.7 Ų49.75%0.05227%0.266CS..Hα-helixtrans-69.2-40.9177.6-169.762000111.9L630 T631 E633 R638 A639 E668 V670 W674L630-L635 HydrophobicContact CD1-CD1 4.32Å; T631-L635 WeakPolarHBondContact O-CB 3.43Å; T631-L635 PolarHBondContact O-N 3.26Å; E633-L635 VanDerWaalsContact C-N 3.28Å; E633-L635 PolarHBondContact O-N 3.24Å; L635-R638 PolarHBondContact O-N 3.3Å; L635-A639 WeakPolarHBondContact O-CB 3.47Å; L635-A639 PolarHBondContact O-N 3.47Å; L635-E668 HydrophobicContact CD2-CB 4.16Å; L635-E668 HydrophobicContact CD2-CG 4.06Å; L635-V670 HydrophobicContact CD2-CG1 4.24Å; L635-V670 HydrophobicContact CD2-CG2 4.04Å; L635-W674 HydrophobicContact CG-CZ2 4.13Å
636L89.1Confident78.4Confident1 Ų145.6 Ų45.61%0.00525%0.249CC..Hα-helixtrans-60.8-49.3173.8177.760.7000110.7A600 P632 E633 R638 A639 V640 L661 W674 V677 L678A600-L636 HydrophobicContact CB-CD2 4.12Å; A600-L636 HydrophobicContact CB-CG 3.93Å; P632-L636 WeakPolarHBondContact O-CB 3.4Å; P632-L636 PolarHBondContact O-N 2.68Å; E633-L636 PolarHBondContact O-N 3.12Å; L636-R638 PolarHBondContact O-N 3.26Å; L636-A639 PolarHBondContact O-N 3.33Å; L636-V640 HydrophobicContact CD1-CG2 4.14Å; L636-V640 WeakPolarHBondContact O-CG2 3.38Å; L636-V640 PolarHBondContact O-N 2.95Å; L636-L661 HydrophobicContact CD1-CD1 4.43Å; L636-L661 HydrophobicContact CD1-CD2 4.46Å; L636-W674 HydrophobicContact CB-CD2 4.34Å; L636-W674 HydrophobicContact CB-CG 4.19Å; L636-W674 HydrophobicContact CD1-CB 4.25Å; L636-W674 HydrophobicContact CD1-CD2 3.72Å; L636-W674 HydrophobicContact CD1-CE3 3.97Å; L636-W674 HydrophobicContact CD1-CG 3.88Å; L636-W674 HydrophobicContact CD1-CZ3 4.5Å; L636-W674 HydrophobicContact CG-CG 4.44Å; L636-V677 HydrophobicContact CD2-CB 4.24Å; L636-V677 HydrophobicContact CD2-CG1 3.73Å; L636-L678 HydrophobicContact CD2-CD2 3.96Å; L636-L678 HydrophobicContact CD2-CG 4.03Å
637Y86.2Confident80.7Confident19 Ų1938.7 Ų38.78%0.07521%0.212CC..Hα-helixtrans-58.2-49177.5177.2-100.3000111.5V604 F608 L615 E633 A639 V640 Q641V604-Y637 HydrophobicContact CG1-CG 4.2Å; V604-Y637 HydrophobicContact CG2-CD1 4.11Å; V604-Y637 HydrophobicContact CG2-CD2 3.47Å; V604-Y637 VanDerWaalsContact CG2-CD2 3.47Å; V604-Y637 HydrophobicContact CG2-CE1 4.42Å; V604-Y637 HydrophobicContact CG2-CE2 3.83Å; V604-Y637 HydrophobicContact CG2-CG 3.64Å; F608-Y637 WeakPolarHBondContact CE2-OH 3.48Å; L615-Y637 HydrophobicContact CD1-CD1 3.83Å; L615-Y637 HydrophobicContact CD1-CE1 4.1Å; E633-Y637 PolarHBondContact O-N 2.97Å; Y637-A639 VanDerWaalsContact C-N 3.33Å; Y637-A639 PolarHBondContact O-N 3.13Å; Y637-V640 PolarHBondContact O-N 3.11Å; Y637-Q641 HydrophobicContact CD1-CG 4.37Å; Y637-Q641 HydrophobicContact CD2-CG 4.42Å; Y637-Q641 HydrophobicContact CE1-CG 3.95Å; Y637-Q641 HydrophobicContact CE2-CG 4.01Å; Y637-Q641 WeakPolarHBondContact O-CG 3.24Å; Y637-Q641 PolarHBondContact O-N 3.05Å
638R84.6Confident82.5Confident85 Ų8538.7 Ų38.732%0.32119%0.193SC..Hα-helixtrans-57-44.9176.6-178.3-173.5177.4171.4-4111.7L615 E625 E634 L635 L636 Q641 A642L615-R638 HydrophobicContact CD1-CB 4.29Å; L615-R638 HydrophobicContact CD2-CB 3.99Å; L615-R638 HydrophobicContact CD2-CG 3.96Å; E625-R638 IonicContact OE1-NH1 3.8Å; E625-R638 PolarHBondContact OE1-NH1 3.03Å; E634-R638 WeakPolarHBondContact O-CB 3.44Å; E634-R638 PolarHBondContact O-N 3.4Å; L635-R638 PolarHBondContact O-N 3.3Å; L636-R638 PolarHBondContact O-N 3.26Å; R638-Q641 PolarHBondContact O-N 2.91Å; R638-A642 WeakPolarHBondContact O-CB 3.44Å; R638-A642 PolarHBondContact O-N 3.37Å
639A87.3Confident83.9Confident4 Ų434.7 Ų34.73%0.03319%0.187CC..Hα-helixtrans-65.1-46.1-179.400000112L635 L636 Y637 Q641 A642 V643 L661 V664 W674L635-A639 WeakPolarHBondContact O-CB 3.47Å; L635-A639 PolarHBondContact O-N 3.47Å; L636-A639 PolarHBondContact O-N 3.33Å; Y637-A639 VanDerWaalsContact C-N 3.33Å; Y637-A639 PolarHBondContact O-N 3.13Å; A639-Q641 VanDerWaalsContact C-N 3.34Å; A639-Q641 PolarHBondContact O-N 3.31Å; A639-A642 PolarHBondContact O-N 2.9Å; A639-V643 WeakPolarHBondContact O-CG2 3.24Å; A639-V643 PolarHBondContact O-N 2.85Å; A639-L661 HydrophobicContact CB-CD1 3.79Å; A639-V664 HydrophobicContact CB-CG1 3.98Å; A639-W674 HydrophobicContact CB-CH2 3.52Å; A639-W674 HydrophobicContact CB-CZ2 3.86Å; A639-W674 HydrophobicContact CB-CZ3 4.47Å
640V88.5Confident84.9Confident0 Ų035.7 Ų35.70%019%0.193CC..Hα-helixtrans-59.9-44.4176.8171.10000111.2W593 I596 E597 A600 L636 Y637 A642 V643 N644 L661W593-V640 HydrophobicContact CZ2-CG1 4.23Å; I596-V640 HydrophobicContact CG2-CG2 3.92Å; E597-V640 HydrophobicContact CB-CG1 4.45Å; E597-V640 HydrophobicContact CG-CG1 4.49Å; A600-V640 HydrophobicContact CB-CG2 4.07Å; L636-V640 HydrophobicContact CD1-CG2 4.14Å; L636-V640 WeakPolarHBondContact O-CG2 3.38Å; L636-V640 PolarHBondContact O-N 2.95Å; Y637-V640 PolarHBondContact O-N 3.11Å; V640-A642 PolarHBondContact O-N 3.46Å; V640-V643 PolarHBondContact O-N 3Å; V640-N644 WeakPolarHBondContact O-CB 3.45Å; V640-N644 PolarHBondContact O-N 3.14Å; V640-L661 HydrophobicContact CG2-CD1 4.06Å; V640-L661 HydrophobicContact CG2-CD2 4.13Å
641Q84.4Confident85.4Confident72 Ų7242.5 Ų42.534%0.33622%0.224SC..Hα-helixtrans-64.6-39.9177.1-66.7-56-41.300112.4Y637 R638 A639 M645Y637-Q641 HydrophobicContact CD1-CG 4.37Å; Y637-Q641 HydrophobicContact CD2-CG 4.42Å; Y637-Q641 HydrophobicContact CE1-CG 3.95Å; Y637-Q641 HydrophobicContact CE2-CG 4.01Å; Y637-Q641 WeakPolarHBondContact O-CG 3.24Å; Y637-Q641 PolarHBondContact O-N 3.05Å; R638-Q641 PolarHBondContact O-N 2.91Å; A639-Q641 VanDerWaalsContact C-N 3.34Å; A639-Q641 PolarHBondContact O-N 3.31Å; Q641-M645 VanDerWaalsContact O-CB 3.29Å; Q641-M645 WeakPolarHBondContact O-CB 3.32Å; Q641-M645 PolarHBondContact O-N 2.84Å
642A82.4Confident85.5Confident32 Ų3241.3 Ų41.326%0.26422%0.219SC..Hα-helixtrans-63.5-46176.500000111.7R638 A639 V640 M645 S646R638-A642 WeakPolarHBondContact O-CB 3.44Å; R638-A642 PolarHBondContact O-N 3.37Å; A639-A642 PolarHBondContact O-N 2.9Å; V640-A642 PolarHBondContact O-N 3.46Å; A642-M645 PolarHBondContact O-N 3.2Å; A642-S646 PolarHBondContact O-N 3.39Å; A642-S646 PolarHBondContact O-OG 3.07Å
643V87.6Confident85.6Confident0 Ų048 Ų480%025%0.25CS..Hα-helixtrans-62-49.2176.6170.90000110.6W593 A639 V640 M645 S646 H647 K657W593-V643 HydrophobicContact CH2-CB 3.94Å; W593-V643 HydrophobicContact CH2-CG1 3.48Å; W593-V643 VanDerWaalsContact CH2-CG1 3.48Å; W593-V643 HydrophobicContact CZ2-CB 4.39Å; W593-V643 HydrophobicContact CZ2-CG1 3.89Å; W593-V643 HydrophobicContact CZ3-CG1 4.32Å; A639-V643 WeakPolarHBondContact O-CG2 3.24Å; A639-V643 PolarHBondContact O-N 2.85Å; V640-V643 PolarHBondContact O-N 3Å; V643-M645 VanDerWaalsContact C-N 3.34Å; V643-M645 PolarHBondContact O-N 3.05Å; V643-S646 PolarHBondContact O-N 2.81Å; V643-S646 PolarHBondContact O-OG 3.34Å; V643-H647 WeakPolarHBondContact O-CB 3.47Å; V643-H647 VanDerWaalsContact O-CG 3.29Å; V643-H647 PolarHBondContact O-N 3.11Å; V643-H647 PolarHBondContact O-ND1 3.36Å; V643-K657 HydrophobicContact CG1-CB 3.72Å; V643-K657 HydrophobicContact CG1-CG 3.98Å
644N86.1Confident85.7Confident10 Ų1047.8 Ų47.85%0.05325%0.25CC..Hα-helixtrans-55.1-50175.8-82.4-20.8000111.4W593 E597 V640 S646 H647 D648 K657W593-N644 VanDerWaalsContact CZ2-OD1 3.32Å; W593-N644 WeakPolarHBondContact CZ2-OD1 3.22Å; W593-N644 PolarHBondContact NE1-OD1 3.45Å; E597-N644 PolarHBondContact OE1-ND2 2.94Å; V640-N644 WeakPolarHBondContact O-CB 3.45Å; V640-N644 PolarHBondContact O-N 3.14Å; N644-S646 PolarHBondContact O-N 2.94Å; N644-H647 PolarHBondContact O-N 3.37Å; N644-D648 WeakPolarHBondContact O-CB 3.29Å; N644-D648 VanDerWaalsContact O-CG 3.25Å; N644-D648 PolarHBondContact O-N 2.7Å; N644-D648 VanDerWaalsContact O-OD2 3.04Å; N644-K657 PolarHBondContact OD1-NZ 2.92Å
645M83.6Confident86.1Confident119 Ų11949.2 Ų49.259%0.58626%0.258SS*.Hα-helixtrans-59-44.6-179-173.8-173.367.200112.8Q641 A642 V643Q641-M645 VanDerWaalsContact O-CB 3.29Å; Q641-M645 WeakPolarHBondContact O-CB 3.32Å; Q641-M645 PolarHBondContact O-N 2.84Å; A642-M645 PolarHBondContact O-N 3.2Å; V643-M645 VanDerWaalsContact C-N 3.34Å; V643-M645 PolarHBondContact O-N 3.05Å
646S81.7Confident86.5Confident21 Ų2149.6 Ų49.615%0.14726%0.261CS..Hα-helixtrans-75.2-41.6179.465.90000112.5A642 V643 N644 S649 D720A642-S646 PolarHBondContact O-N 3.39Å; A642-S646 PolarHBondContact O-OG 3.07Å; V643-S646 PolarHBondContact O-N 2.81Å; V643-S646 PolarHBondContact O-OG 3.34Å; N644-S646 PolarHBondContact O-N 2.94Å; S646-S649 PolarHBondContact O-OG 2.86Å; S646-D720 PolarHBondContact OG-OD1 2.93Å
647H89.8Confident86.7Confident0 Ų050.1 Ų50.10%026%0.263CS..Hα-helixtrans-81.1-35.5-171.6-70.457.4000113.1V643 N644 S649 V650 H651 A652 K657 S660 Q719 D720V643-H647 WeakPolarHBondContact O-CB 3.47Å; V643-H647 VanDerWaalsContact O-CG 3.29Å; V643-H647 PolarHBondContact O-N 3.11Å; V643-H647 PolarHBondContact O-ND1 3.36Å; N644-H647 PolarHBondContact O-N 3.37Å; H647-S649 VanDerWaalsContact C-N 3.27Å; H647-S649 PolarHBondContact O-N 2.99Å; H647-V650 WeakPolarHBondContact O-CG2 3.42Å; H647-V650 PolarHBondContact O-N 2.68Å; H647-H651 PolarHBondContact O-N 3.48Å; H647-A652 HydrophobicContact CB-CB 3.97Å; H647-A652 PolarHBondContact O-N 3.24Å; H647-K657 HydrophobicContact CB-CD 4.33Å; H647-K657 HydrophobicContact CB-CG 3.74Å; H647-S660 PolarHBondContact CE1-OG 3.32Å; H647-S660 WeakPolarHBondContact NE2-CB 3.27Å; H647-S660 PolarHBondContact NE2-OG 3.32Å; H647-Q719 PolarHBondContact CE1-O 3.21Å; H647-D720 IonicContact CE1-OD1 2.72Å
648D85.9Confident87.2Confident78 Ų7849.5 Ų49.542%0.41726%0.261SS..Hα-helixtrans-67.6-31177-71.3-38.6000112N644 V650 H651 K657N644-D648 WeakPolarHBondContact O-CB 3.29Å; N644-D648 VanDerWaalsContact O-CG 3.25Å; N644-D648 PolarHBondContact O-N 2.7Å; N644-D648 VanDerWaalsContact O-OD2 3.04Å; D648-V650 PolarHBondContact O-N 3.14Å; D648-V650 VanDerWaalsContact O-N 3.11Å; D648-H651 PolarHBondContact O-N 2.83Å; D648-H651 VanDerWaalsContact O-N 3.09Å; D648-K657 WeakPolarHBondContact OD1-CE 3.35Å; D648-K657 IonicContact OD1-NZ 2.69Å; D648-K657 PolarHBondContact OD1-NZ 3.39Å; D648-K657 IonicContact OD2-NZ 3.11Å; D648-K657 PolarHBondContact OD2-NZ 3.21Å
649S83.3Confident87.8Confident87 Ų8748.3 Ų48.361%0.60826%0.256SS*.THydrogen-bonded Turntrans-60.6-21.2177.277.90000113.6S646 H647S646-S649 PolarHBondContact O-OG 2.86Å; H647-S649 VanDerWaalsContact C-N 3.27Å; H647-S649 PolarHBondContact O-N 2.99Å
650V85Confident88.1Confident59 Ų5948.2 Ų48.236%0.35826%0.256SS..THydrogen-bonded Turntrans-119.613.9178.4-61.70000112.7H647 D648 A652 L723 P724H647-V650 WeakPolarHBondContact O-CG2 3.42Å; H647-V650 PolarHBondContact O-N 2.68Å; D648-V650 PolarHBondContact O-N 3.14Å; D648-V650 VanDerWaalsContact O-N 3.11Å; V650-A652 HydrophobicContact CG2-CB 4.13Å; V650-A652 PolarHBondContact O-N 2.77Å; V650-L723 HydrophobicContact CG2-CD1 4.45Å; V650-L723 HydrophobicContact CG2-CD2 3.84Å; V650-P724 HydrophobicContact CB-CG 4.3Å; V650-P724 HydrophobicContact CG1-CG 4.15Å
651H83.4Confident88.5Confident165 Ų16548.7 Ų48.776%0.76426%0.258SS*.THydrogen-bonded Turntrans53.336.3-178.6-55.9-60.5000114.3H647 D648H647-H651 PolarHBondContact O-N 3.48Å; D648-H651 PolarHBondContact O-N 2.83Å; D648-H651 VanDerWaalsContact O-N 3.09Å
652A84.1Confident89.1Confident23 Ų2345.5 Ų45.519%0.1924%0.243CC..  trans-66.5145.3179.600000111.9H647 V650 V656 L723H647-A652 HydrophobicContact CB-CB 3.97Å; H647-A652 PolarHBondContact O-N 3.24Å; V650-A652 HydrophobicContact CG2-CB 4.13Å; V650-A652 PolarHBondContact O-N 2.77Å; A652-V656 HydrophobicContact CB-CB 4.33Å; A652-V656 HydrophobicContact CB-CG1 4.42Å; A652-L723 HydrophobicContact CB-CD2 3.96Å
653Q90Very high89.6Confident143 Ų14344 Ų4467%0.66823%0.231SC*.  trans-66.9153.8-179.1-62.3-64.3-48.600111.6D655 V656 K657Q653-D655 PolarHBondContact O-N 3.41Å; Q653-D655 VanDerWaalsContact O-N 3.13Å; Q653-V656 HydrophobicContact CB-CG2 4.35Å; Q653-V656 WeakPolarHBondContact O-CB 3.08Å; Q653-V656 PolarHBondContact O-N 2.74Å; Q653-K657 PolarHBondContact O-N 2.69Å
654M90.4Very high89.8Confident55 Ų5544.1 Ų44.127%0.27123%0.232SC..Hα-helixtrans-60.7-24.5178.8-65.8-179.3-178.100113.7H591 W593 L594 K657 F658H591-M654 HydrophobicContact CB-SD 3.65Å; H591-M654 WeakPolarHBondContact ND1-CB 3.4Å; W593-M654 HydrophobicContact CB-CB 3.87Å; W593-M654 HydrophobicContact CB-CG 4.17Å; W593-M654 HydrophobicContact CB-SD 4.21Å; W593-M654 HydrophobicContact CG-CB 4.23Å; W593-M654 HydrophobicContact CG-CG 4.28Å; L594-M654 HydrophobicContact CD1-CE 4.28Å; L594-M654 HydrophobicContact CD2-CE 3.61Å; L594-M654 HydrophobicContact CD2-SD 4.32Å; L594-M654 HydrophobicContact CG-CE 3.96Å; L594-M654 HydrophobicContact CG-SD 4.08Å; M654-K657 PolarHBondContact O-N 3.36Å; M654-F658 WeakPolarHBondContact O-CB 3.4Å; M654-F658 PolarHBondContact O-N 3.14Å
655D90.4Very high90.1Very high51 Ų5143.7 Ų43.727%0.27323%0.229SC..Hα-helixtrans-64.2-41.1172.5-85.62.5000112.3K573 H591 Q653 F658 R659K573-D655 VanDerWaalsContact CE-OD1 3.27Å; K573-D655 WeakPolarHBondContact CE-OD1 3.41Å; K573-D655 IonicContact NZ-OD1 2.83Å; K573-D655 PolarHBondContact NZ-OD1 2.88Å; K573-D655 IonicContact NZ-OD2 3.6Å; K573-D655 PolarHBondContact NZ-OD2 3.14Å; H591-D655 IonicContact CD2-OD1 3.05Å; H591-D655 IonicContact CE1-OD1 2.65Å; H591-D655 IonicContact NE2-OD1 2.97Å; H591-D655 PolarHBondContact NE2-OD1 2.82Å; Q653-D655 PolarHBondContact O-N 3.41Å; Q653-D655 VanDerWaalsContact O-N 3.13Å; D655-F658 PolarHBondContact O-N 3.01Å; D655-R659 WeakPolarHBondContact O-CG 3.46Å; D655-R659 PolarHBondContact O-N 2.99Å
656V92.1Very high90.5Very high18 Ų1838.2 Ų38.211%0.10920%0.202CC..Hα-helixtrans-65.9-47.1177.2-174.60000108.8A652 Q653 F658 R659 S660 E722 L723A652-V656 HydrophobicContact CB-CB 4.33Å; A652-V656 HydrophobicContact CB-CG1 4.42Å; Q653-V656 HydrophobicContact CB-CG2 4.35Å; Q653-V656 WeakPolarHBondContact O-CB 3.08Å; Q653-V656 PolarHBondContact O-N 2.74Å; V656-F658 VanDerWaalsContact C-N 3.31Å; V656-F658 PolarHBondContact O-N 3.38Å; V656-R659 PolarHBondContact O-N 3.16Å; V656-S660 PolarHBondContact O-N 2.9Å; V656-S660 PolarHBondContact O-OG 2.95Å; V656-E722 HydrophobicContact CG1-CB 3.68Å; V656-L723 HydrophobicContact CG1-CD2 4.32Å
657K94.8Very high90.8Very high12 Ų1238.1 Ų38.15%0.05220%0.2CC..Hα-helixtrans-55.6-44.6175.1-63-170.7175.6-168.70112.7W593 V643 N644 H647 D648 Q653 M654 S660 L661W593-K657 HydrophobicContact CD2-CB 3.66Å; W593-K657 HydrophobicContact CD2-CD 4.1Å; W593-K657 VanDerWaalsContact CE2-CD 3.49Å; W593-K657 HydrophobicContact CE3-CB 3.66Å; W593-K657 HydrophobicContact CG-CB 4.44Å; W593-K657 HydrophobicContact CG-CD 4.45Å; W593-K657 HydrophobicContact CH2-CB 3.76Å; W593-K657 HydrophobicContact CZ2-CB 3.75Å; W593-K657 HydrophobicContact CZ2-CD 3.78Å; W593-K657 HydrophobicContact CZ2-CG 4.33Å; W593-K657 HydrophobicContact CZ3-CB 3.71Å; W593-K657 WeakPolarHBondContact CZ3-O 3.43Å; V643-K657 HydrophobicContact CG1-CB 3.72Å; V643-K657 HydrophobicContact CG1-CG 3.98Å; N644-K657 PolarHBondContact OD1-NZ 2.92Å; H647-K657 HydrophobicContact CB-CD 4.33Å; H647-K657 HydrophobicContact CB-CG 3.74Å; D648-K657 WeakPolarHBondContact OD1-CE 3.35Å; D648-K657 IonicContact OD1-NZ 2.69Å; D648-K657 PolarHBondContact OD1-NZ 3.39Å; D648-K657 IonicContact OD2-NZ 3.11Å; D648-K657 PolarHBondContact OD2-NZ 3.21Å; Q653-K657 PolarHBondContact O-N 2.69Å; M654-K657 PolarHBondContact O-N 3.36Å; K657-S660 PolarHBondContact O-N 3.49Å; K657-L661 PolarHBondContact O-N 3.47Å
658F96.6Very high90.5Very high6 Ų638.5 Ų38.53%0.02620%0.202CC..Hα-helixtrans-61.5-47.2177.9-178.2-88.8000111.8L572 K573 F576 P592 W593 I596 M654 D655 V656 L661 V662L572-F658 HydrophobicContact CB-CZ 4.47Å; L572-F658 HydrophobicContact CD2-CZ 4.4Å; L572-F658 HydrophobicContact CG-CZ 4.19Å; K573-F658 HydrophobicContact CB-CD1 4.28Å; K573-F658 HydrophobicContact CB-CE1 3.76Å; K573-F658 HydrophobicContact CB-CZ 4.12Å; F576-F658 HydrophobicContact CD1-CE2 4.43Å; F576-F658 HydrophobicContact CG-CE2 4.34Å; P592-F658 HydrophobicContact CB-CD2 4.46Å; P592-F658 HydrophobicContact CB-CE2 4.42Å; W593-F658 HydrophobicContact CE3-CB 4.29Å; I596-F658 HydrophobicContact CD1-CD2 3.71Å; I596-F658 HydrophobicContact CD1-CE2 3.75Å; M654-F658 WeakPolarHBondContact O-CB 3.4Å; M654-F658 PolarHBondContact O-N 3.14Å; D655-F658 PolarHBondContact O-N 3.01Å; V656-F658 VanDerWaalsContact C-N 3.31Å; V656-F658 PolarHBondContact O-N 3.38Å; F658-L661 PolarHBondContact O-N 2.95Å; F658-V662 HydrophobicContact CD1-CG2 4.24Å; F658-V662 HydrophobicContact CE1-CG2 3.87Å; F658-V662 HydrophobicContact CZ-CG2 4.24Å; F658-V662 WeakPolarHBondContact O-CG2 2.89Å; F658-V662 PolarHBondContact O-N 3.31Å
659R95.9Very high90.6Very high59 Ų5935.5 Ų35.522%0.22319%0.185CC..Hα-helixtrans-60.9-45.5176.8-73-167.6-73.4-100.23.4111.8C569 D655 V656 L661 V662 C663 E722C569-R659 HydrophobicContact CB-CG 3.72Å; D655-R659 WeakPolarHBondContact O-CG 3.46Å; D655-R659 PolarHBondContact O-N 2.99Å; V656-R659 PolarHBondContact O-N 3.16Å; R659-L661 VanDerWaalsContact C-N 3.34Å; R659-L661 PolarHBondContact O-N 3.45Å; R659-V662 PolarHBondContact O-N 3.39Å; R659-V662 VanDerWaalsContact O-N 3.15Å; R659-C663 PolarHBondContact O-N 3.23Å; R659-C663 PolarHBondContact O-SG 3.04Å; R659-C663 VanDerWaalsContact O-SG 3.42Å; R659-E722 IonicContact CZ-OE1 2.59Å; R659-E722 VanDerWaalsContact CZ-OE1 3.29Å; R659-E722 IonicContact CZ-OE2 2.83Å; R659-E722 IonicContact NE-OE1 2.63Å; R659-E722 PolarHBondContact NE-OE1 3.24Å; R659-E722 VanDerWaalsContact NE-OE1 3.17Å; R659-E722 IonicContact NE-OE2 3.89Å; R659-E722 PolarHBondContact NE-OE2 2.94Å; R659-E722 IonicContact NH2-OE1 3.53Å; R659-E722 PolarHBondContact NH2-OE1 2.88Å; R659-E722 IonicContact NH2-OE2 2.63Å
660S94.6Very high91Very high3 Ų331.3 Ų31.32%0.02116%0.156CC..Hα-helixtrans-60.1-43.2177.5-57.80000111.8H647 V656 K657 V662 C663 V664 Q719H647-S660 PolarHBondContact CE1-OG 3.32Å; H647-S660 WeakPolarHBondContact NE2-CB 3.27Å; H647-S660 PolarHBondContact NE2-OG 3.32Å; V656-S660 PolarHBondContact O-N 2.9Å; V656-S660 PolarHBondContact O-OG 2.95Å; K657-S660 PolarHBondContact O-N 3.49Å; S660-V662 PolarHBondContact O-N 2.86Å; S660-C663 WeakPolarHBondContact O-CB 3.12Å; S660-C663 PolarHBondContact O-N 3.43Å; S660-V664 WeakPolarHBondContact O-CG2 3.38Å; S660-V664 PolarHBondContact O-N 3.33Å; S660-Q719 WeakPolarHBondContact CB-O 3.08Å; S660-Q719 PolarHBondContact OG-O 2.99Å
661L96.3Very high91.5Very high9 Ų929.4 Ų29.45%0.04714%0.144CC..Hα-helixtrans-61.9-42.5174.9-176.868.8000112W593 I596 L636 A639 V640 K657 F658 R659 C663 V664 G665 W674W593-L661 HydrophobicContact CH2-CB 4.26Å; W593-L661 HydrophobicContact CH2-CD2 4.38Å; W593-L661 HydrophobicContact CZ3-CB 3.8Å; W593-L661 HydrophobicContact CZ3-CD2 3.86Å; W593-L661 HydrophobicContact CZ3-CG 4.42Å; I596-L661 HydrophobicContact CD1-CD2 4.44Å; I596-L661 HydrophobicContact CG2-CD2 3.6Å; L636-L661 HydrophobicContact CD1-CD1 4.43Å; L636-L661 HydrophobicContact CD1-CD2 4.46Å; A639-L661 HydrophobicContact CB-CD1 3.79Å; V640-L661 HydrophobicContact CG2-CD1 4.06Å; V640-L661 HydrophobicContact CG2-CD2 4.13Å; K657-L661 PolarHBondContact O-N 3.47Å; F658-L661 PolarHBondContact O-N 2.95Å; R659-L661 VanDerWaalsContact C-N 3.34Å; R659-L661 PolarHBondContact O-N 3.45Å; L661-C663 VanDerWaalsContact C-N 3.33Å; L661-C663 PolarHBondContact O-N 3.41Å; L661-V664 PolarHBondContact O-N 3.45Å; L661-G665 PolarHBondContact O-N 3.23Å; L661-W674 HydrophobicContact CD1-CE3 4.32Å; L661-W674 HydrophobicContact CD1-CH2 3.94Å; L661-W674 HydrophobicContact CD1-CZ3 3.56Å; L661-W674 HydrophobicContact CG-CE3 4.44Å; L661-W674 HydrophobicContact CG-CZ3 3.93Å; L661-W674 WeakPolarHBondContact O-CZ3 3.33Å
662V96.9Very high92Very high5 Ų522 Ų223%0.0311%0.11CC..Hα-helixtrans-60-43.9175.7173.20000111L572 F658 R659 S660 V664 G665 L666 L671L572-V662 HydrophobicContact CD2-CG2 3.91Å; F658-V662 HydrophobicContact CD1-CG2 4.24Å; F658-V662 HydrophobicContact CE1-CG2 3.87Å; F658-V662 HydrophobicContact CZ-CG2 4.24Å; F658-V662 WeakPolarHBondContact O-CG2 2.89Å; F658-V662 PolarHBondContact O-N 3.31Å; R659-V662 PolarHBondContact O-N 3.39Å; R659-V662 VanDerWaalsContact O-N 3.15Å; S660-V662 PolarHBondContact O-N 2.86Å; V662-V664 VanDerWaalsContact C-N 3.35Å; V662-V664 PolarHBondContact O-N 3.44Å; V662-G665 PolarHBondContact O-N 3.22Å; V662-G665 VanDerWaalsContact O-N 3.17Å; V662-L666 HydrophobicContact CG1-CD1 4.17Å; V662-L666 HydrophobicContact CG1-CG 4.46Å; V662-L666 WeakPolarHBondContact O-CG 3.46Å; V662-L666 PolarHBondContact O-N 3.38Å; V662-L671 HydrophobicContact CG1-CD2 3.98Å
663C93.9Very high92.5Very high0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-57.5-46.2173.8-68.40000111.7R659 S660 L661 G665 L666 N667 L717R659-C663 PolarHBondContact O-N 3.23Å; R659-C663 PolarHBondContact O-SG 3.04Å; R659-C663 VanDerWaalsContact O-SG 3.42Å; S660-C663 WeakPolarHBondContact O-CB 3.12Å; S660-C663 PolarHBondContact O-N 3.43Å; L661-C663 VanDerWaalsContact C-N 3.33Å; L661-C663 PolarHBondContact O-N 3.41Å; C663-G665 VanDerWaalsContact C-N 3.33Å; C663-G665 PolarHBondContact O-N 3.26Å; C663-L666 PolarHBondContact O-N 3.24Å; C663-N667 WeakPolarHBondContact O-CB 3.4Å; C663-N667 PolarHBondContact O-N 3.14Å; C663-N667 PolarHBondContact O-OD1 3.36Å; C663-L717 HydrophobicContact CB-CB 3.88Å; C663-L717 HydrophobicContact CB-CD1 4.15Å
664V90.8Very high92.8Very high4 Ų414.6 Ų14.62%0.0247%0.071CC..Hα-helixtrans-60.5-43.8175.5-177.20000111.1R544 A639 S660 L661 V662 L666 N667 E668 W674 Q719R544-V664 VanDerWaalsContact NH1-CG1 3.34Å; A639-V664 HydrophobicContact CB-CG1 3.98Å; S660-V664 WeakPolarHBondContact O-CG2 3.38Å; S660-V664 PolarHBondContact O-N 3.33Å; L661-V664 PolarHBondContact O-N 3.45Å; V662-V664 VanDerWaalsContact C-N 3.35Å; V662-V664 PolarHBondContact O-N 3.44Å; V664-L666 VanDerWaalsContact C-N 3.31Å; V664-L666 PolarHBondContact O-N 2.61Å; V664-N667 PolarHBondContact O-N 3.31Å; V664-E668 HydrophobicContact CG1-CG 4.14Å; V664-E668 WeakPolarHBondContact O-CB 3.17Å; V664-E668 WeakPolarHBondContact O-CG 3.25Å; V664-E668 PolarHBondContact O-N 2.85Å; V664-W674 HydrophobicContact CB-CH2 4.16Å; V664-W674 HydrophobicContact CG1-CH2 3.83Å; V664-Q719 HydrophobicContact CG2-CB 4.01Å
665G91.6Very high93Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-64.7-32.6-179.900000113.8L661 V662 C663 Q669 V670 L671 W674L661-G665 PolarHBondContact O-N 3.23Å; V662-G665 PolarHBondContact O-N 3.22Å; V662-G665 VanDerWaalsContact O-N 3.17Å; C663-G665 VanDerWaalsContact C-N 3.33Å; C663-G665 PolarHBondContact O-N 3.26Å; G665-Q669 PolarHBondContact O-N 2.94Å; G665-V670 PolarHBondContact O-N 3Å; G665-L671 PolarHBondContact O-N 3.25Å; G665-W674 VanDerWaalsContact N-CZ3 3.35Å
666L92.8Very high93.2Very high4 Ų412.2 Ų12.22%0.0216%0.058CC..Hα-helixtrans-73.5-45.1173.2-70.1172.4000111.8V564 L568 V662 C663 V664 E668 Q669 L671 L710 F715 L717V564-L666 HydrophobicContact CB-CD1 4.38Å; V564-L666 HydrophobicContact CG1-CD1 3.5Å; V564-L666 VanDerWaalsContact CG1-CD1 3.5Å; V564-L666 HydrophobicContact CG2-CD1 3.92Å; L568-L666 HydrophobicContact CD2-CD1 3.86Å; L568-L666 HydrophobicContact CD2-CD2 4.35Å; V662-L666 HydrophobicContact CG1-CD1 4.17Å; V662-L666 HydrophobicContact CG1-CG 4.46Å; V662-L666 WeakPolarHBondContact O-CG 3.46Å; V662-L666 PolarHBondContact O-N 3.38Å; C663-L666 PolarHBondContact O-N 3.24Å; V664-L666 VanDerWaalsContact C-N 3.31Å; V664-L666 PolarHBondContact O-N 2.61Å; L666-E668 PolarHBondContact O-N 2.85Å; L666-Q669 PolarHBondContact O-N 2.95Å; L666-L671 HydrophobicContact CD2-CD2 3.88Å; L666-L671 HydrophobicContact CG-CD2 4.13Å; L666-L710 HydrophobicContact CD2-CB 3.96Å; L666-L710 HydrophobicContact CD2-CD1 3.75Å; L666-F715 HydrophobicContact CB-CB 4.19Å; L666-F715 HydrophobicContact CB-CD1 4.48Å; L666-F715 HydrophobicContact CB-CD2 3.88Å; L666-F715 HydrophobicContact CB-CE2 4.38Å; L666-F715 HydrophobicContact CB-CG 3.93Å; L666-F715 HydrophobicContact CD2-CD2 4.43Å; L666-F715 HydrophobicContact CD2-CE2 4.1Å; L666-F715 HydrophobicContact CD2-CZ 4.39Å; L666-L717 HydrophobicContact CB-CD1 4.29Å; L666-L717 HydrophobicContact CD1-CD1 3.98Å
667N87.4Confident93.3Very high19 Ų1911.7 Ų11.710%0.1026%0.055CC..Hα-helixtrans-57.5-39.1174.6-67.5-7000110.8R544 S545 C663 V664 Q669 F715 L717R544-N667 CarbonylContact C-O 3.6Å; R544-N667 HydrophobicContact CB-CB 4.36Å; R544-N667 WeakPolarHBondContact CB-O 3.33Å; S545-N667 WeakPolarHBondContact CA-O 3.48Å; S545-N667 VanDerWaalsContact CB-O 3.24Å; S545-N667 WeakPolarHBondContact CB-O 3.38Å; S545-N667 PolarHBondContact N-O 3.02Å; C663-N667 WeakPolarHBondContact O-CB 3.4Å; C663-N667 PolarHBondContact O-N 3.14Å; C663-N667 PolarHBondContact O-OD1 3.36Å; V664-N667 PolarHBondContact O-N 3.31Å; N667-Q669 VanDerWaalsContact C-N 3.34Å; N667-F715 WeakPolarHBondContact OD1-CB 3.3Å; N667-F715 PolarHBondContact OD1-O 3.35Å; N667-L717 PolarHBondContact ND2-N 3.41Å; N667-L717 PolarHBondContact ND2-O 3.38Å; N667-L717 WeakPolarHBondContact OD1-CB 3.44Å; N667-L717 PolarHBondContact OD1-N 3.25Å
668E83.4Confident93.3Very high8 Ų811.4 Ų11.44%0.0375%0.054CC..THydrogen-bonded Turntrans-80.3-12.3177-67.5-77.9-178.100113.8R485 R544 L635 V664 L666 V670R485-E668 IonicContact CZ-OE2 3.26Å; R485-E668 IonicContact NH1-OE2 2.66Å; R485-E668 PolarHBondContact NH1-OE2 3.43Å; R485-E668 PolarHBondContact NH2-O 3.01Å; R485-E668 VanDerWaalsContact NH2-O 3.1Å; R485-E668 IonicContact NH2-OE2 3.19Å; R485-E668 PolarHBondContact NH2-OE2 3.04Å; R544-E668 HydrophobicContact CB-CB 4.39Å; R544-E668 HydrophobicContact CB-CG 3.83Å; R544-E668 WeakPolarHBondContact CB-OE2 3.34Å; R544-E668 WeakPolarHBondContact CD-OE1 3.46Å; R544-E668 HydrophobicContact CG-CG 4.15Å; R544-E668 WeakPolarHBondContact CG-OE1 3.48Å; R544-E668 IonicContact CZ-OE1 3.76Å; R544-E668 IonicContact NE-OE1 2.74Å; R544-E668 PolarHBondContact NE-OE1 2.9Å; R544-E668 IonicContact NH1-OE1 3.89Å; R544-E668 PolarHBondContact NH1-OE1 3.12Å; R544-E668 VanDerWaalsContact NH1-OE1 3.12Å; R544-E668 CarbonylContact O-C 3.57Å; R544-E668 WeakPolarHBondContact O-CA 3.25Å; L635-E668 HydrophobicContact CD2-CB 4.16Å; L635-E668 HydrophobicContact CD2-CG 4.06Å; V664-E668 HydrophobicContact CG1-CG 4.14Å; V664-E668 WeakPolarHBondContact O-CB 3.17Å; V664-E668 WeakPolarHBondContact O-CG 3.25Å; V664-E668 PolarHBondContact O-N 2.85Å; L666-E668 PolarHBondContact O-N 2.85Å; E668-V670 HydrophobicContact CB-CB 4.48Å; E668-V670 HydrophobicContact CB-CG1 4.4Å; E668-V670 HydrophobicContact CB-CG2 3.51Å; E668-V670 WeakPolarHBondContact O-CG1 3.34Å; E668-V670 PolarHBondContact O-N 2.99Å
669Q88.6Confident93.1Very high15 Ų1511.1 Ų11.17%0.075%0.053CC..THydrogen-bonded Turntrans58.927.1-173.7-58177.3-42.900114.2G665 L666 N667 H672 S711 F713G665-Q669 PolarHBondContact O-N 2.94Å; L666-Q669 PolarHBondContact O-N 2.95Å; N667-Q669 VanDerWaalsContact C-N 3.34Å; Q669-H672 PolarHBondContact O-CE1 3.46Å; Q669-H672 VanDerWaalsContact O-CE1 3.23Å; Q669-S711 PolarHBondContact NE2-O 2.99Å; Q669-S711 WeakPolarHBondContact O-CB 3.46Å; Q669-F713 PolarHBondContact NE2-O 3.17Å
670V91.4Very high92.8Very high0 Ų011.2 Ų11.20%06%0.062CC..  trans-116.65.7-174.8-640000113.6F478 L635 G665 E668 H672 L673 W674F478-V670 HydrophobicContact CD2-CG1 3.49Å; F478-V670 VanDerWaalsContact CD2-CG1 3.49Å; F478-V670 HydrophobicContact CE2-CG1 3.41Å; F478-V670 VanDerWaalsContact CE2-CG1 3.41Å; F478-V670 HydrophobicContact CZ-CG1 4.45Å; L635-V670 HydrophobicContact CD2-CG1 4.24Å; L635-V670 HydrophobicContact CD2-CG2 4.04Å; G665-V670 PolarHBondContact O-N 3Å; E668-V670 HydrophobicContact CB-CB 4.48Å; E668-V670 HydrophobicContact CB-CG1 4.4Å; E668-V670 HydrophobicContact CB-CG2 3.51Å; E668-V670 WeakPolarHBondContact O-CG1 3.34Å; E668-V670 PolarHBondContact O-N 2.99Å; V670-H672 PolarHBondContact O-N 3.28Å; V670-H672 VanDerWaalsContact O-N 3.09Å; V670-L673 HydrophobicContact CB-CB 4.4Å; V670-L673 HydrophobicContact CB-CD1 4.46Å; V670-L673 HydrophobicContact CG1-CD1 4.26Å; V670-L673 CarbonylContact O-C 3.46Å; V670-L673 WeakPolarHBondContact O-CA 3.47Å; V670-L673 WeakPolarHBondContact O-CB 2.99Å; V670-L673 PolarHBondContact O-N 3.38Å; V670-W674 HydrophobicContact CG2-CD2 3.86Å; V670-W674 VanDerWaalsContact CG2-CE2 3.41Å; V670-W674 HydrophobicContact CG2-CG 4.18Å; V670-W674 HydrophobicContact CG2-CZ2 3.79Å; V670-W674 PolarHBondContact O-N 2.92Å
671L95.1Very high92.6Very high19 Ų1911.4 Ų11.410%0.0996%0.064CC..Hα-helixtrans-53.4-36.9-176-172.861.7000113.6L572 V662 G665 L666 W674 L675 L707L572-L671 HydrophobicContact CD2-CD1 4.36Å; L572-L671 HydrophobicContact CD2-CD2 4.23Å; V662-L671 HydrophobicContact CG1-CD2 3.98Å; G665-L671 PolarHBondContact O-N 3.25Å; L666-L671 HydrophobicContact CD2-CD2 3.88Å; L666-L671 HydrophobicContact CG-CD2 4.13Å; L671-W674 HydrophobicContact CD1-CE3 4.44Å; L671-W674 PolarHBondContact O-N 3.04Å; L671-L675 PolarHBondContact O-N 2.71Å; L671-L675 VanDerWaalsContact O-N 3.1Å; L671-L707 HydrophobicContact CD2-CD2 4.01Å; L671-L707 HydrophobicContact CG-CD1 4.45Å
672H94.7Very high92.3Very high10 Ų1016 Ų165%0.0469%0.086CC..Hα-helixtrans-68.9-35.7175.465.7-74.5000113.1Q669 V670 E676 K704 L707 R708Q669-H672 PolarHBondContact O-CE1 3.46Å; Q669-H672 VanDerWaalsContact O-CE1 3.23Å; V670-H672 PolarHBondContact O-N 3.28Å; V670-H672 VanDerWaalsContact O-N 3.09Å; H672-E676 PolarHBondContact O-N 3.37Å; H672-K704 HydrophobicContact CB-CG 4.1Å; H672-L707 HydrophobicContact CB-CB 3.92Å; H672-R708 HydrophobicContact CB-CB 4.32Å
673L94.3Very high91.9Very high5 Ų518.4 Ų18.43%0.02611%0.106CC..Hα-helixtrans-72.3-38.4173.5-68.7170.8000111.2D474 F478 P632 V670 L675 E676 V677D474-L673 HydrophobicContact CB-CD2 3.89Å; F478-L673 HydrophobicContact CB-CD1 3.75Å; F478-L673 HydrophobicContact CD2-CD1 4.24Å; F478-L673 HydrophobicContact CG-CD1 3.96Å; P632-L673 HydrophobicContact CB-CB 4.04Å; P632-L673 HydrophobicContact CG-CB 4.29Å; P632-L673 HydrophobicContact CG-CD1 3.92Å; V670-L673 HydrophobicContact CB-CB 4.4Å; V670-L673 HydrophobicContact CB-CD1 4.46Å; V670-L673 HydrophobicContact CG1-CD1 4.26Å; V670-L673 CarbonylContact O-C 3.46Å; V670-L673 WeakPolarHBondContact O-CA 3.47Å; V670-L673 WeakPolarHBondContact O-CB 2.99Å; V670-L673 PolarHBondContact O-N 3.38Å; L673-L675 VanDerWaalsContact C-N 3.29Å; L673-L675 PolarHBondContact O-N 2.66Å; L673-E676 WeakPolarHBondContact O-CB 3.48Å; L673-E676 PolarHBondContact O-N 2.82Å; L673-E676 VanDerWaalsContact O-N 3.09Å; L673-V677 WeakPolarHBondContact O-CG2 3.18Å; L673-V677 PolarHBondContact O-N 3.14Å
674W96Very high91.7Very high5 Ų518.4 Ų18.42%0.01911%0.106CC..Hα-helixtrans-62.5-36.8174.3-73.4-5.5000112.3P632 L635 L636 A639 L661 V664 G665 V670 L671 E676 V677 L678P632-W674 PolarHBondContact O-NE1 3.11Å; L635-W674 HydrophobicContact CG-CZ2 4.13Å; L636-W674 HydrophobicContact CB-CD2 4.34Å; L636-W674 HydrophobicContact CB-CG 4.19Å; L636-W674 HydrophobicContact CD1-CB 4.25Å; L636-W674 HydrophobicContact CD1-CD2 3.72Å; L636-W674 HydrophobicContact CD1-CE3 3.97Å; L636-W674 HydrophobicContact CD1-CG 3.88Å; L636-W674 HydrophobicContact CD1-CZ3 4.5Å; L636-W674 HydrophobicContact CG-CG 4.44Å; A639-W674 HydrophobicContact CB-CH2 3.52Å; A639-W674 HydrophobicContact CB-CZ2 3.86Å; A639-W674 HydrophobicContact CB-CZ3 4.47Å; L661-W674 HydrophobicContact CD1-CE3 4.32Å; L661-W674 HydrophobicContact CD1-CH2 3.94Å; L661-W674 HydrophobicContact CD1-CZ3 3.56Å; L661-W674 HydrophobicContact CG-CE3 4.44Å; L661-W674 HydrophobicContact CG-CZ3 3.93Å; L661-W674 WeakPolarHBondContact O-CZ3 3.33Å; V664-W674 HydrophobicContact CB-CH2 4.16Å; V664-W674 HydrophobicContact CG1-CH2 3.83Å; G665-W674 VanDerWaalsContact N-CZ3 3.35Å; V670-W674 HydrophobicContact CG2-CD2 3.86Å; V670-W674 VanDerWaalsContact CG2-CE2 3.41Å; V670-W674 HydrophobicContact CG2-CG 4.18Å; V670-W674 HydrophobicContact CG2-CZ2 3.79Å; V670-W674 PolarHBondContact O-N 2.92Å; L671-W674 HydrophobicContact CD1-CE3 4.44Å; L671-W674 PolarHBondContact O-N 3.04Å; W674-E676 VanDerWaalsContact C-N 3.32Å; W674-E676 PolarHBondContact O-N 3.41Å; W674-V677 PolarHBondContact O-N 3.36Å; W674-L678 WeakPolarHBondContact O-CB 3.22Å; W674-L678 WeakPolarHBondContact O-CG 3.19Å; W674-L678 PolarHBondContact O-N 2.91Å
675L96Very high91.7Very high6 Ų618.2 Ų18.23%0.03111%0.105CC..Hα-helixtrans-60.8-42.5171.5-178.765.4000111.8F576 L671 L673 L678 C679 I703 K704 L707F576-L675 HydrophobicContact CE2-CD1 3.92Å; F576-L675 HydrophobicContact CZ-CD1 3.89Å; L671-L675 PolarHBondContact O-N 2.71Å; L671-L675 VanDerWaalsContact O-N 3.1Å; L673-L675 VanDerWaalsContact C-N 3.29Å; L673-L675 PolarHBondContact O-N 2.66Å; L675-L678 PolarHBondContact O-N 3.27Å; L675-C679 VanDerWaalsContact O-CB 3.27Å; L675-C679 WeakPolarHBondContact O-CB 3.42Å; L675-C679 PolarHBondContact O-N 3.1Å; L675-C679 PolarHBondContact O-SG 3.12Å; L675-I703 HydrophobicContact CD2-CB 3.71Å; L675-I703 HydrophobicContact CD2-CG2 3.41Å; L675-I703 VanDerWaalsContact CD2-CG2 3.41Å; L675-K704 HydrophobicContact CD2-CB 4.25Å; L675-L707 HydrophobicContact CB-CD1 4.46Å; L675-L707 HydrophobicContact CD2-CD1 3.95Å
676E93.7Very high91.7Very high50 Ų5022.7 Ų22.723%0.23413%0.126CC..Hα-helixtrans-61.9-46175.4177.6173.7-153.900112H471 H672 L673 W674 L678 C679 S680 W700 K704H471-E676 IonicContact CE1-OE1 2.69Å; H471-E676 PolarHBondContact CE1-OE1 3.5Å; H471-E676 VanDerWaalsContact CE1-OE1 3.25Å; H471-E676 IonicContact NE2-OE1 3.7Å; H672-E676 PolarHBondContact O-N 3.37Å; L673-E676 WeakPolarHBondContact O-CB 3.48Å; L673-E676 PolarHBondContact O-N 2.82Å; L673-E676 VanDerWaalsContact O-N 3.09Å; W674-E676 VanDerWaalsContact C-N 3.32Å; W674-E676 PolarHBondContact O-N 3.41Å; E676-L678 PolarHBondContact O-N 3.18Å; E676-C679 PolarHBondContact O-N 3.14Å; E676-S680 WeakPolarHBondContact O-CB 3.31Å; E676-S680 PolarHBondContact O-N 3.02Å; E676-S680 PolarHBondContact O-OG 3.44Å; E676-W700 HydrophobicContact CB-CH2 4.41Å; E676-W700 HydrophobicContact CB-CZ3 3.96Å; E676-W700 HydrophobicContact CG-CH2 3.99Å; E676-W700 HydrophobicContact CG-CZ3 4.05Å; E676-K704 HydrophobicContact CB-CD 4.21Å; E676-K704 VanDerWaalsContact CD-NZ 3.34Å; E676-K704 IonicContact OE1-NZ 2.91Å; E676-K704 WeakPolarHBondContact OE2-CE 3.19Å; E676-K704 IonicContact OE2-NZ 2.71Å; E676-K704 PolarHBondContact OE2-NZ 2.9Å
677V93.6Very high91.5Very high6 Ų628 Ų284%0.03615%0.149CC..Hα-helixtrans-58.4-49.4177.1172.50000110.7E603 P632 E633 L636 L673 W674 C679 S680 S681E603-V677 HydrophobicContact CB-CG1 4.41Å; E603-V677 HydrophobicContact CG-CG1 3.74Å; P632-V677 HydrophobicContact CB-CG2 4.22Å; E633-V677 HydrophobicContact CB-CG1 4.37Å; E633-V677 HydrophobicContact CG-CG1 3.9Å; E633-V677 HydrophobicContact CG-CG2 3.84Å; L636-V677 HydrophobicContact CD2-CB 4.24Å; L636-V677 HydrophobicContact CD2-CG1 3.73Å; L673-V677 WeakPolarHBondContact O-CG2 3.18Å; L673-V677 PolarHBondContact O-N 3.14Å; W674-V677 PolarHBondContact O-N 3.36Å; V677-C679 PolarHBondContact O-N 2.82Å; V677-S680 PolarHBondContact O-N 2.85Å; V677-S681 PolarHBondContact O-N 3.41Å
678L95.3Very high91.7Very high7 Ų729 Ų294%0.03715%0.152CC..Hα-helixtrans-60.8-45.9178.3-70.4170000112F576 F595 I596 A599 L636 W674 L675 E676 S680 S681 V685F576-L678 HydrophobicContact CE1-CD1 3.93Å; F576-L678 HydrophobicContact CZ-CD1 3.89Å; F595-L678 HydrophobicContact CE1-CB 4.11Å; F595-L678 HydrophobicContact CE1-CD2 4.25Å; F595-L678 HydrophobicContact CZ-CB 4.09Å; F595-L678 HydrophobicContact CZ-CD2 4.48Å; I596-L678 HydrophobicContact CB-CD2 4.34Å; I596-L678 HydrophobicContact CG1-CD1 4.11Å; I596-L678 HydrophobicContact CG1-CD2 4.23Å; I596-L678 HydrophobicContact CG2-CD2 4.28Å; A599-L678 HydrophobicContact CB-CD2 3.63Å; L636-L678 HydrophobicContact CD2-CD2 3.96Å; L636-L678 HydrophobicContact CD2-CG 4.03Å; W674-L678 WeakPolarHBondContact O-CB 3.22Å; W674-L678 WeakPolarHBondContact O-CG 3.19Å; W674-L678 PolarHBondContact O-N 2.91Å; L675-L678 PolarHBondContact O-N 3.27Å; E676-L678 PolarHBondContact O-N 3.18Å; L678-S680 VanDerWaalsContact C-N 3.29Å; L678-S680 PolarHBondContact O-N 3.49Å; L678-S681 PolarHBondContact O-N 3.2Å; L678-V685 VanDerWaalsContact O-CG2 3.28Å; L678-V685 WeakPolarHBondContact O-CG2 3.23Å
679C92.4Very high92Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-72.5-21.5179.5-69.50000112.8L675 E676 V677 M682 W700L675-C679 VanDerWaalsContact O-CB 3.27Å; L675-C679 WeakPolarHBondContact O-CB 3.42Å; L675-C679 PolarHBondContact O-N 3.1Å; L675-C679 PolarHBondContact O-SG 3.12Å; E676-C679 PolarHBondContact O-N 3.14Å; V677-C679 PolarHBondContact O-N 2.82Å; C679-M682 WeakPolarHBondContact O-CE 3.38Å; C679-W700 HydrophobicContact CB-CB 4.3Å; C679-W700 HydrophobicContact CB-CD2 3.82Å; C679-W700 HydrophobicContact CB-CE3 4.36Å; C679-W700 HydrophobicContact CB-CG 3.75Å; C679-W700 VanDerWaalsContact SG-CB 3.55Å
680S90.1Very high91.8Very high61 Ų6131.3 Ų31.343%0.42716%0.162SC..Hα-helixtrans-80-19.2177-62.50000112.8E676 V677 L678 M682E676-S680 WeakPolarHBondContact O-CB 3.31Å; E676-S680 PolarHBondContact O-N 3.02Å; E676-S680 PolarHBondContact O-OG 3.44Å; V677-S680 PolarHBondContact O-N 2.85Å; L678-S680 VanDerWaalsContact C-N 3.29Å; L678-S680 PolarHBondContact O-N 3.49Å; S680-M682 PolarHBondContact O-N 2.93Å
681S91.3Very high91.3Very high7 Ų735 Ų355%0.04919%0.186CC..  trans-73.267.9175.7-152.90000111.8E603 V677 L678 A683 A684 V685E603-S681 WeakPolarHBondContact OE1-CA 3.24Å; E603-S681 WeakPolarHBondContact OE1-CB 3.37Å; E603-S681 PolarHBondContact OE1-OG 3.11Å; V677-S681 PolarHBondContact O-N 3.41Å; L678-S681 PolarHBondContact O-N 3.2Å; S681-A683 VanDerWaalsContact C-N 3.28Å; S681-A683 PolarHBondContact O-N 3.33Å; S681-A683 VanDerWaalsContact O-N 3.15Å; S681-A684 PolarHBondContact O-N 2.81Å; S681-V685 WeakPolarHBondContact O-CG2 3.32Å; S681-V685 PolarHBondContact O-N 3.18Å
682M88.9Confident90.4Very high104 Ų10438.1 Ų38.151%0.51220%0.197SC..Hα-helixtrans-49.8-47.1-171-71.3-63.2111.100112.2C679 S680 A684 V685 E686C679-M682 WeakPolarHBondContact O-CE 3.38Å; S680-M682 PolarHBondContact O-N 2.93Å; M682-A684 VanDerWaalsContact C-N 3.29Å; M682-A684 PolarHBondContact O-N 2.81Å; M682-V685 PolarHBondContact O-N 3.12Å; M682-E686 WeakPolarHBondContact O-CB 3.25Å; M682-E686 WeakPolarHBondContact O-CG 3.29Å; M682-E686 PolarHBondContact O-N 3.02Å
683A88.6Confident90Very high56 Ų5637.6 Ų37.646%0.46319%0.194SC..Hα-helixtrans-63.1-33.7-178.200000113.3S681 K687S681-A683 VanDerWaalsContact C-N 3.28Å; S681-A683 PolarHBondContact O-N 3.33Å; S681-A683 VanDerWaalsContact O-N 3.15Å; A683-K687 WeakPolarHBondContact O-CB 3.24Å; A683-K687 PolarHBondContact O-N 3.15Å
684A90.6Very high89.5Confident0 Ų037.6 Ų37.60%019%0.194CC..Hα-helixtrans-75.3-46.917300000111.1F595 A599 S681 M682 E686 K687 W688F595-A684 HydrophobicContact CD2-CB 4.32Å; F595-A684 HydrophobicContact CE2-CB 4.08Å; A599-A684 HydrophobicContact CB-CB 4.06Å; S681-A684 PolarHBondContact O-N 2.81Å; M682-A684 VanDerWaalsContact C-N 3.29Å; M682-A684 PolarHBondContact O-N 2.81Å; A684-E686 VanDerWaalsContact C-N 3.34Å; A684-E686 PolarHBondContact O-N 3.12Å; A684-K687 WeakPolarHBondContact O-CB 3.45Å; A684-K687 PolarHBondContact O-N 2.92Å; A684-K687 VanDerWaalsContact O-N 3.15Å; A684-W688 PolarHBondContact O-N 2.98Å
685V91.1Very high89.3Confident0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-58.6-45.1179.2173.50000111.2F595 L678 S681 M682 K687 W688 Y689 L695 R696F595-V685 HydrophobicContact CE2-CG2 3.8Å; F595-V685 HydrophobicContact CZ-CG2 3.88Å; L678-V685 VanDerWaalsContact O-CG2 3.28Å; L678-V685 WeakPolarHBondContact O-CG2 3.23Å; S681-V685 WeakPolarHBondContact O-CG2 3.32Å; S681-V685 PolarHBondContact O-N 3.18Å; M682-V685 PolarHBondContact O-N 3.12Å; V685-K687 VanDerWaalsContact C-N 3.31Å; V685-K687 PolarHBondContact O-N 3.45Å; V685-W688 PolarHBondContact O-N 3.42Å; V685-Y689 WeakPolarHBondContact O-CA 3.25Å; V685-Y689 WeakPolarHBondContact O-CB 3.47Å; V685-Y689 PolarHBondContact O-N 3.41Å; V685-L695 VanDerWaalsContact CG1-O 3.3Å; V685-L695 WeakPolarHBondContact CG1-O 3.38Å; V685-R696 HydrophobicContact CG1-CB 3.59Å; V685-R696 HydrophobicContact CG1-CG 3.83Å
686E90.3Very high88.8Confident95 Ų9541 Ų4144%0.44421%0.207SC..Hα-helixtrans-65.9-33.9178.6-67.6-157.4131.100112.8K581 M682 A684 R696K581-E686 PolarHBondContact NZ-O 2.67Å; M682-E686 WeakPolarHBondContact O-CB 3.25Å; M682-E686 WeakPolarHBondContact O-CG 3.29Å; M682-E686 PolarHBondContact O-N 3.02Å; A684-E686 VanDerWaalsContact C-N 3.34Å; A684-E686 PolarHBondContact O-N 3.12Å; E686-R696 IonicContact OE1-CZ 2.96Å; E686-R696 IonicContact OE1-NE 3.7Å; E686-R696 IonicContact OE1-NH2 3.89Å; E686-R696 PolarHBondContact OE1-NH2 3.16Å
687K89.8Confident88.2Confident114 Ų11440 Ų4050%0.49621%0.205SC..Hα-helixtrans-65.7-45.7174.5178.1-175176.7-169.90111.2K581 E598 A683 A684 V685K581-K687 WeakPolarHBondContact CD-O 3.46Å; E598-K687 WeakPolarHBondContact OE1-CD 3.22Å; E598-K687 IonicContact OE1-NZ 2.77Å; E598-K687 PolarHBondContact OE1-NZ 3.07Å; E598-K687 IonicContact OE2-NZ 3.14Å; E598-K687 PolarHBondContact OE2-NZ 2.86Å; A683-K687 WeakPolarHBondContact O-CB 3.24Å; A683-K687 PolarHBondContact O-N 3.15Å; A684-K687 WeakPolarHBondContact O-CB 3.45Å; A684-K687 PolarHBondContact O-N 2.92Å; A684-K687 VanDerWaalsContact O-N 3.15Å; V685-K687 VanDerWaalsContact C-N 3.31Å; V685-K687 PolarHBondContact O-N 3.45Å
688W90.9Very high87.3Confident41 Ų4145 Ų4516%0.15524%0.237CC..Hα-helixtrans-94-23.9-170-72.597.5000114.6L580 K581 L594 F595 E598 A684 V685L580-W688 HydrophobicContact CD1-CB 4.21Å; L580-W688 HydrophobicContact CD1-CE3 4.07Å; K581-W688 WeakPolarHBondContact CB-O 3.24Å; K581-W688 PolarHBondContact N-O 3.28Å; L594-W688 HydrophobicContact CB-CH2 3.45Å; L594-W688 VanDerWaalsContact CB-CH2 3.45Å; L594-W688 HydrophobicContact CB-CZ2 3.86Å; L594-W688 HydrophobicContact CB-CZ3 4.08Å; L594-W688 HydrophobicContact CD1-CH2 3.98Å; L594-W688 HydrophobicContact CD1-CZ3 4.46Å; L594-W688 HydrophobicContact CG-CH2 4.36Å; F595-W688 HydrophobicContact CB-CB 4.15Å; F595-W688 HydrophobicContact CB-CD2 4.03Å; F595-W688 HydrophobicContact CB-CG 3.84Å; F595-W688 HydrophobicContact CD2-CB 3.97Å; F595-W688 AromaticContact CD2-CD1 3.81Å; F595-W688 HydrophobicContact CD2-CG 4.01Å; F595-W688 HydrophobicContact CG-CB 4.35Å; F595-W688 HydrophobicContact CG-CG 4.36Å; E598-W688 PolarHBondContact OE2-NE1 3.12Å; A684-W688 PolarHBondContact O-N 2.98Å; V685-W688 PolarHBondContact O-N 3.42Å
689Y90.2Very high86.4Confident0 Ų045.6 Ų45.60%025%0.246CC..BIsolated β-bridgetrans-125.9144.9-169.6-71.7-88.9000114.8F576 G579 L580 K581 F595 V685 S693 L695 R696F576-Y689 WeakPolarHBondContact O-CE1 3.48Å; F576-Y689 VanDerWaalsContact O-CZ 3.24Å; F576-Y689 PolarHBondContact O-OH 2.88Å; G579-Y689 CarbonylContact O-C 3.16Å; G579-Y689 WeakPolarHBondContact O-CA 3.45Å; G579-Y689 WeakPolarHBondContact O-CD1 3.33Å; L580-Y689 HydrophobicContact CB-CD1 4.42Å; L580-Y689 HydrophobicContact CB-CE1 3.96Å; L580-Y689 HydrophobicContact CD1-CD1 4.47Å; L580-Y689 HydrophobicContact CD1-CD2 4.47Å; L580-Y689 HydrophobicContact CD1-CE1 3.91Å; L580-Y689 HydrophobicContact CD1-CE2 3.9Å; K581-Y689 VanDerWaalsContact CE-O 3.24Å; K581-Y689 WeakPolarHBondContact CE-O 3.36Å; F595-Y689 HydrophobicContact CB-CE2 4.24Å; F595-Y689 AromaticContact CD1-CE2 3.71Å; F595-Y689 HydrophobicContact CD1-CE2 3.71Å; F595-Y689 HydrophobicContact CD2-CD2 4.38Å; F595-Y689 AromaticContact CD2-CE2 3.93Å; F595-Y689 HydrophobicContact CD2-CE2 3.93Å; F595-Y689 HydrophobicContact CE1-CE2 4.01Å; F595-Y689 HydrophobicContact CE2-CD2 4.48Å; F595-Y689 HydrophobicContact CE2-CE2 4.22Å; F595-Y689 AromaticContact CG-CE2 3.66Å; F595-Y689 HydrophobicContact CG-CE2 3.66Å; F595-Y689 HydrophobicContact CZ-CE2 4.25Å; V685-Y689 WeakPolarHBondContact O-CA 3.25Å; V685-Y689 WeakPolarHBondContact O-CB 3.47Å; V685-Y689 PolarHBondContact O-N 3.41Å; Y689-S693 WeakPolarHBondContact CB-OG 3.47Å; Y689-L695 HydrophobicContact CD1-CB 4.4Å; Y689-L695 HydrophobicContact CD2-CB 4.3Å; Y689-L695 HydrophobicContact CD2-CD2 4.39Å; Y689-L695 HydrophobicContact CE1-CD1 4.17Å; Y689-L695 HydrophobicContact CE1-CD2 4.29Å; Y689-L695 HydrophobicContact CE2-CB 4.43Å; Y689-L695 HydrophobicContact CE2-CD2 3.74Å; Y689-L695 HydrophobicContact CG-CB 4.3Å; Y689-R696 WeakPolarHBondContact O-CD 3.3Å; Y689-R696 PolarHBondContact O-NH1 3.43Å
690H84.4Confident86.2Confident72 Ų7247.5 Ų47.533%0.33325%0.253SS..  trans-70.4152.3169.2-70.3-78.1000111.5G579 W692 S693 R696G579-H690 PolarHBondContact O-CD2 2.81Å; G579-H690 PolarHBondContact O-N 3.46Å; H690-W692 HydrophobicContact CB-CD2 4.07Å; H690-W692 HydrophobicContact CB-CG 4.27Å; H690-W692 HydrophobicContact CB-CZ2 3.93Å; H690-W692 VanDerWaalsContact CB-NE1 3.35Å; H690-W692 AromaticContact CD2-CZ2 3.88Å; H690-W692 AromaticContact CG-CE2 3.98Å; H690-W692 AromaticContact CG-NE1 3.78Å; H690-W692 PolarHBondContact O-N 2.93Å; H690-W692 VanDerWaalsContact O-N 3.13Å; H690-S693 VanDerWaalsContact O-CB 3.32Å; H690-S693 WeakPolarHBondContact O-CB 3.4Å; H690-S693 PolarHBondContact O-N 2.82Å; H690-S693 PolarHBondContact O-OG 3.36Å; H690-R696 WeakPolarHBondContact O-CB 3.44Å
691P79.3Confident85.9Confident77 Ų7746.9 Ų46.950%0.525%0.246SC..THydrogen-bonded Turntrans-55.9-29.8-179-23.430.8000115S693P691-S693 VanDerWaalsContact C-N 3.3Å; P691-S693 PolarHBondContact O-N 3.08Å
692W76.8Confident85.6Confident84 Ų8450.2 Ų50.232%0.31826%0.261SS..THydrogen-bonded Turntrans-82.8-2.2-179.353.8-104000113.9K428 Q432 H578 H690K428-W692 HydrophobicContact CD-CD2 4.23Å; K428-W692 HydrophobicContact CD-CG 4.27Å; Q432-W692 PolarHBondContact NE2-O 3.41Å; H578-W692 AromaticContact CE1-CE3 3.77Å; H578-W692 AromaticContact CE1-CZ3 3.5Å; H578-W692 AromaticContact ND1-CZ3 3.8Å; H578-W692 AromaticContact NE2-CZ3 3.78Å; H690-W692 HydrophobicContact CB-CD2 4.07Å; H690-W692 HydrophobicContact CB-CG 4.27Å; H690-W692 HydrophobicContact CB-CZ2 3.93Å; H690-W692 VanDerWaalsContact CB-NE1 3.35Å; H690-W692 AromaticContact CD2-CZ2 3.88Å; H690-W692 AromaticContact CG-CE2 3.98Å; H690-W692 AromaticContact CG-NE1 3.78Å; H690-W692 PolarHBondContact O-N 2.93Å; H690-W692 VanDerWaalsContact O-N 3.13Å
693S85.8Confident85.7Confident0 Ų045.3 Ų45.30%024%0.237CC..SBendtrans-69.1159.6175.967.60000111.6H578 Y689 H690 P691 L695 R696 S697H578-S693 WeakPolarHBondContact O-CB 3.46Å; Y689-S693 WeakPolarHBondContact CB-OG 3.47Å; H690-S693 VanDerWaalsContact O-CB 3.32Å; H690-S693 WeakPolarHBondContact O-CB 3.4Å; H690-S693 PolarHBondContact O-N 2.82Å; H690-S693 PolarHBondContact O-OG 3.36Å; P691-S693 VanDerWaalsContact C-N 3.3Å; P691-S693 PolarHBondContact O-N 3.08Å; S693-L695 VanDerWaalsContact C-N 3.29Å; S693-L695 PolarHBondContact O-N 3.32Å; S693-R696 PolarHBondContact O-N 3.13Å; S693-R696 VanDerWaalsContact OG-CB 3.29Å; S693-R696 WeakPolarHBondContact OG-CB 3.26Å; S693-R696 PolarHBondContact OG-N 2.85Å; S693-R696 VanDerWaalsContact OG-N 3.08Å; S693-S697 VanDerWaalsContact O-CB 3.23Å; S693-S697 WeakPolarHBondContact O-CB 3.24Å; S693-S697 PolarHBondContact O-N 3.48Å; S693-S697 PolarHBondContact O-OG 3.49Å
694F85.1Confident85.9Confident5 Ų542.7 Ų42.72%0.02222%0.215CC..SBendtrans-60.3-42.9171-73.8-74.5000111.4Q432 L435 V436 I575 R696 S697 W700 I703Q432-F694 HydrophobicContact CB-CE1 4.1Å; Q432-F694 HydrophobicContact CB-CE2 4.03Å; Q432-F694 HydrophobicContact CB-CZ 3.42Å; Q432-F694 VanDerWaalsContact CB-CZ 3.42Å; Q432-F694 HydrophobicContact CG-CE1 4.14Å; Q432-F694 HydrophobicContact CG-CE2 3.74Å; Q432-F694 HydrophobicContact CG-CZ 3.54Å; Q432-F694 WeakPolarHBondContact O-CZ 3.5Å; L435-F694 HydrophobicContact CB-CE2 4.12Å; L435-F694 HydrophobicContact CD1-CE2 3.99Å; V436-F694 HydrophobicContact CG2-CE1 3.74Å; V436-F694 HydrophobicContact CG2-CZ 3.67Å; I575-F694 HydrophobicContact CG2-CB 4.1Å; I575-F694 HydrophobicContact CG2-CD2 3.97Å; I575-F694 HydrophobicContact CG2-CG 4.22Å; F694-R696 VanDerWaalsContact C-N 3.26Å; F694-R696 PolarHBondContact O-N 3.5Å; F694-S697 PolarHBondContact O-N 2.93Å; F694-S697 PolarHBondContact O-OG 3.33Å; F694-W700 WeakPolarHBondContact O-CB 3.16Å; F694-W700 PolarHBondContact O-N 3.48Å; F694-I703 HydrophobicContact CD1-CD1 4.36Å; F694-I703 HydrophobicContact CD1-CG1 4.22Å; F694-I703 HydrophobicContact CE1-CD1 4.36Å
695L90.2Very high85.9Confident3 Ų342.8 Ų42.82%0.01622%0.216CC..THydrogen-bonded Turntrans-69.4-23-173.8-73.881000113.1I575 F576 F595 V685 Y689 S693I575-L695 HydrophobicContact CG2-CD1 4.32Å; F576-L695 HydrophobicContact CD1-CD2 3.8Å; F576-L695 HydrophobicContact CE1-CD2 3.8Å; F576-L695 HydrophobicContact CG-CD1 4.49Å; F576-L695 HydrophobicContact CG-CD2 4.31Å; F576-L695 HydrophobicContact CZ-CD2 4.29Å; F595-L695 HydrophobicContact CD1-CD2 4.18Å; F595-L695 HydrophobicContact CE1-CD2 3.46Å; F595-L695 VanDerWaalsContact CE1-CD2 3.46Å; F595-L695 HydrophobicContact CZ-CD2 3.96Å; V685-L695 VanDerWaalsContact CG1-O 3.3Å; V685-L695 WeakPolarHBondContact CG1-O 3.38Å; Y689-L695 HydrophobicContact CD1-CB 4.4Å; Y689-L695 HydrophobicContact CD2-CB 4.3Å; Y689-L695 HydrophobicContact CD2-CD2 4.39Å; Y689-L695 HydrophobicContact CE1-CD1 4.17Å; Y689-L695 HydrophobicContact CE1-CD2 4.29Å; Y689-L695 HydrophobicContact CE2-CB 4.43Å; Y689-L695 HydrophobicContact CE2-CD2 3.74Å; Y689-L695 HydrophobicContact CG-CB 4.3Å; S693-L695 VanDerWaalsContact C-N 3.29Å; S693-L695 PolarHBondContact O-N 3.32Å
696R86.2Confident85.9Confident79 Ų7942.9 Ų42.930%0.29822%0.216SC..THydrogen-bonded Turntrans-106.25.4177-162.9168.9171.5-157.91.3114V685 E686 Y689 H690 S693 F694V685-R696 HydrophobicContact CG1-CB 3.59Å; V685-R696 HydrophobicContact CG1-CG 3.83Å; E686-R696 IonicContact OE1-CZ 2.96Å; E686-R696 IonicContact OE1-NE 3.7Å; E686-R696 IonicContact OE1-NH2 3.89Å; E686-R696 PolarHBondContact OE1-NH2 3.16Å; Y689-R696 WeakPolarHBondContact O-CD 3.3Å; Y689-R696 PolarHBondContact O-NH1 3.43Å; H690-R696 WeakPolarHBondContact O-CB 3.44Å; S693-R696 PolarHBondContact O-N 3.13Å; S693-R696 VanDerWaalsContact OG-CB 3.29Å; S693-R696 WeakPolarHBondContact OG-CB 3.26Å; S693-R696 PolarHBondContact OG-N 2.85Å; S693-R696 VanDerWaalsContact OG-N 3.08Å; F694-R696 VanDerWaalsContact C-N 3.26Å; F694-R696 PolarHBondContact O-N 3.5Å
697S81.1Confident86.1Confident28 Ų2838.5 Ų38.520%0.19620%0.196CC..SBendtrans-124.4165.3178.767.70000110.9S693 F694 G699 W700S693-S697 VanDerWaalsContact O-CB 3.23Å; S693-S697 WeakPolarHBondContact O-CB 3.24Å; S693-S697 PolarHBondContact O-N 3.48Å; S693-S697 PolarHBondContact O-OG 3.49Å; F694-S697 PolarHBondContact O-N 2.93Å; F694-S697 PolarHBondContact O-OG 3.33Å; S697-G699 PolarHBondContact O-N 3.45Å; S697-G699 PolarHBondContact OG-N 3.23Å; S697-W700 PolarHBondContact O-N 3.24Å
698P74.3Confident86.3Confident111 Ų11134.2 Ų34.272%0.72118%0.177SC*.THydrogen-bonded Turntrans-57.4-11.3173.4-25.535.5000114.6W700 V701P698-W700 PolarHBondContact O-N 2.86Å; P698-V701 WeakPolarHBondContact O-CB 3.38Å; P698-V701 WeakPolarHBondContact O-CG2 3.31Å; P698-V701 PolarHBondContact O-N 2.94Å; P698-V701 VanDerWaalsContact O-N 3.08Å
699G77.1Confident86.4Confident20 Ų2032.5 Ų32.521%0.20617%0.171CC..Hα-helixtrans-59.5-24.4177.500000114.5S697 V701 Q702 I703S697-G699 PolarHBondContact O-N 3.45Å; S697-G699 PolarHBondContact OG-N 3.23Å; G699-V701 PolarHBondContact O-N 3.4Å; G699-Q702 WeakPolarHBondContact O-CB 3.49Å; G699-Q702 PolarHBondContact O-N 3.29Å; G699-Q702 VanDerWaalsContact O-N 3.15Å; G699-I703 PolarHBondContact O-N 2.86Å
700W87.3Confident86.6Confident40 Ų4032.7 Ų32.715%0.15217%0.172CC..Hα-helixtrans-62.1-25.7174.169.4-104.4000112.8E676 C679 F694 S697 P698 Q702 I703 K704E676-W700 HydrophobicContact CB-CH2 4.41Å; E676-W700 HydrophobicContact CB-CZ3 3.96Å; E676-W700 HydrophobicContact CG-CH2 3.99Å; E676-W700 HydrophobicContact CG-CZ3 4.05Å; C679-W700 HydrophobicContact CB-CB 4.3Å; C679-W700 HydrophobicContact CB-CD2 3.82Å; C679-W700 HydrophobicContact CB-CE3 4.36Å; C679-W700 HydrophobicContact CB-CG 3.75Å; C679-W700 VanDerWaalsContact SG-CB 3.55Å; F694-W700 WeakPolarHBondContact O-CB 3.16Å; F694-W700 PolarHBondContact O-N 3.48Å; S697-W700 PolarHBondContact O-N 3.24Å; P698-W700 PolarHBondContact O-N 2.86Å; W700-Q702 VanDerWaalsContact C-N 3.29Å; W700-Q702 PolarHBondContact O-N 3.43Å; W700-I703 PolarHBondContact O-N 3.32Å; W700-K704 HydrophobicContact CE3-CB 4.29Å; W700-K704 HydrophobicContact CE3-CD 4.5Å; W700-K704 HydrophobicContact CZ3-CB 4.42Å; W700-K704 HydrophobicContact CZ3-CD 3.82Å; W700-K704 WeakPolarHBondContact O-CB 3.45Å; W700-K704 PolarHBondContact O-N 3.05Å
701V84.7Confident86.9Confident48 Ų4830.4 Ų30.429%0.29116%0.164SC..Hα-helixtrans-63.8-39.2176.6-179.30000110.4P698 G699 K704 C705P698-V701 WeakPolarHBondContact O-CB 3.38Å; P698-V701 WeakPolarHBondContact O-CG2 3.31Å; P698-V701 PolarHBondContact O-N 2.94Å; P698-V701 VanDerWaalsContact O-N 3.08Å; G699-V701 PolarHBondContact O-N 3.4Å; V701-K704 WeakPolarHBondContact O-CB 3.13Å; V701-K704 PolarHBondContact O-N 3.19Å; V701-C705 PolarHBondContact O-N 3.29Å; V701-C705 PolarHBondContact O-SG 2.88Å
702Q84.9Confident87.3Confident77 Ų7730.1 Ų30.136%0.3616%0.155SC..Hα-helixtrans-61.2-49.1174.2-173.8179.37.200110.6V436 Y466 G699 W700 K704 C705 E706V436-Q702 HydrophobicContact CG1-CG 4.4Å; Y466-Q702 HydrophobicContact CE1-CG 3.85Å; G699-Q702 WeakPolarHBondContact O-CB 3.49Å; G699-Q702 PolarHBondContact O-N 3.29Å; G699-Q702 VanDerWaalsContact O-N 3.15Å; W700-Q702 VanDerWaalsContact C-N 3.29Å; W700-Q702 PolarHBondContact O-N 3.43Å; Q702-K704 VanDerWaalsContact C-N 3.3Å; Q702-K704 PolarHBondContact O-N 3.4Å; Q702-C705 PolarHBondContact O-N 3.33Å; Q702-E706 VanDerWaalsContact O-CG 3.31Å; Q702-E706 WeakPolarHBondContact O-CG 3.45Å; Q702-E706 PolarHBondContact O-N 3.11Å; Q702-E706 VanDerWaalsContact O-N 3.11Å
703I91Very high87.9Confident1 Ų126.1 Ų26.11%0.00514%0.14CC..Hα-helixtrans-59.5-41.2177.9-54.6-50.7000111.3V436 L439 I575 L675 F694 G699 W700 E706 L707V436-I703 HydrophobicContact CG1-CD1 4.41Å; V436-I703 HydrophobicContact CG2-CD1 3.73Å; L439-I703 HydrophobicContact CD2-CD1 4.14Å; L439-I703 HydrophobicContact CD2-CG2 3.64Å; I575-I703 HydrophobicContact CD1-CD1 3.76Å; I575-I703 HydrophobicContact CD1-CG1 4.39Å; I575-I703 HydrophobicContact CD1-CG2 4.24Å; I575-I703 HydrophobicContact CG2-CG1 4.38Å; L675-I703 HydrophobicContact CD2-CB 3.71Å; L675-I703 HydrophobicContact CD2-CG2 3.41Å; L675-I703 VanDerWaalsContact CD2-CG2 3.41Å; F694-I703 HydrophobicContact CD1-CD1 4.36Å; F694-I703 HydrophobicContact CD1-CG1 4.22Å; F694-I703 HydrophobicContact CE1-CD1 4.36Å; G699-I703 PolarHBondContact O-N 2.86Å; W700-I703 PolarHBondContact O-N 3.32Å; I703-E706 WeakPolarHBondContact O-CB 3.42Å; I703-E706 PolarHBondContact O-N 3.13Å; I703-L707 HydrophobicContact CG2-CD1 4.05Å; I703-L707 HydrophobicContact CG2-CG 4.45Å; I703-L707 WeakPolarHBondContact O-CG 3.15Å; I703-L707 PolarHBondContact O-N 3.03Å
704K93Very high88Confident1 Ų126.3 Ų26.30%0.00414%0.141CC..Hα-helixtrans-58.8-48176.1175.8178.8176.2-166.20111.4H471 D474 H672 L675 E676 W700 V701 Q702 E706 L707 R708H471-K704 PolarHBondContact CD2-NZ 2.81Å; H471-K704 VanDerWaalsContact CD2-NZ 3.32Å; H471-K704 PolarHBondContact CE1-NZ 3.47Å; H471-K704 PolarHBondContact NE2-NZ 3.13Å; D474-K704 WeakPolarHBondContact OD2-CE 3.5Å; D474-K704 IonicContact OD2-NZ 3.31Å; D474-K704 PolarHBondContact OD2-NZ 3.33Å; H672-K704 HydrophobicContact CB-CG 4.1Å; L675-K704 HydrophobicContact CD2-CB 4.25Å; E676-K704 HydrophobicContact CB-CD 4.21Å; E676-K704 VanDerWaalsContact CD-NZ 3.34Å; E676-K704 IonicContact OE1-NZ 2.91Å; E676-K704 WeakPolarHBondContact OE2-CE 3.19Å; E676-K704 IonicContact OE2-NZ 2.71Å; E676-K704 PolarHBondContact OE2-NZ 2.9Å; W700-K704 HydrophobicContact CE3-CB 4.29Å; W700-K704 HydrophobicContact CE3-CD 4.5Å; W700-K704 HydrophobicContact CZ3-CB 4.42Å; W700-K704 HydrophobicContact CZ3-CD 3.82Å; W700-K704 WeakPolarHBondContact O-CB 3.45Å; W700-K704 PolarHBondContact O-N 3.05Å; V701-K704 WeakPolarHBondContact O-CB 3.13Å; V701-K704 PolarHBondContact O-N 3.19Å; Q702-K704 VanDerWaalsContact C-N 3.3Å; Q702-K704 PolarHBondContact O-N 3.4Å; K704-E706 VanDerWaalsContact C-N 3.31Å; K704-E706 PolarHBondContact O-N 2.95Å; K704-L707 PolarHBondContact O-N 3.17Å; K704-R708 PolarHBondContact O-N 3.49Å
705C89.3Confident88.2Confident3 Ų326.2 Ų26.22%0.0214%0.141CC..Hα-helixtrans-62.4-38.4179.5-67.10000112.3D465 Y466 V701 Q702 R708D465-C705 PolarHBondContact O-SG 3.14Å; Y466-C705 HydrophobicContact CD1-CB 3.64Å; Y466-C705 HydrophobicContact CE1-CB 3.68Å; Y466-C705 HydrophobicContact CG-CB 4.45Å; V701-C705 PolarHBondContact O-N 3.29Å; V701-C705 PolarHBondContact O-SG 2.88Å; Q702-C705 PolarHBondContact O-N 3.33Å; C705-R708 WeakPolarHBondContact O-CB 3.19Å; C705-R708 PolarHBondContact O-N 3.24Å; C705-R708 PolarHBondContact SG-NH1 3.45Å; C705-R708 VanDerWaalsContact SG-NH1 3.41Å
706E92.5Very high88Confident1 Ų127.2 Ų27.21%0.00515%0.148CC..Hα-helixtrans-61.2-53.4173.5-60.4-78.2-168.800110.5L439 R440 I443 P464 Y466 Q702 I703 K704 R708 V709L439-E706 HydrophobicContact CD2-CB 4.34Å; R440-E706 IonicContact CZ-OE1 3.14Å; R440-E706 IonicContact NE-OE1 3.32Å; R440-E706 PolarHBondContact NE-OE1 3.34Å; R440-E706 IonicContact NE-OE2 3.7Å; R440-E706 PolarHBondContact NE-OE2 3.47Å; R440-E706 IonicContact NH2-OE1 3.8Å; R440-E706 PolarHBondContact NH2-OE1 3.38Å; I443-E706 HydrophobicContact CD1-CB 3.67Å; P464-E706 WeakPolarHBondContact CG-OE2 3.24Å; Y466-E706 PolarHBondContact OH-OE1 2.97Å; Q702-E706 VanDerWaalsContact O-CG 3.31Å; Q702-E706 WeakPolarHBondContact O-CG 3.45Å; Q702-E706 PolarHBondContact O-N 3.11Å; Q702-E706 VanDerWaalsContact O-N 3.11Å; I703-E706 WeakPolarHBondContact O-CB 3.42Å; I703-E706 PolarHBondContact O-N 3.13Å; K704-E706 VanDerWaalsContact C-N 3.31Å; K704-E706 PolarHBondContact O-N 2.95Å; E706-R708 PolarHBondContact O-N 2.91Å; E706-V709 WeakPolarHBondContact O-CB 3.48Å; E706-V709 WeakPolarHBondContact O-CG2 3.34Å; E706-V709 PolarHBondContact O-N 3.47Å; E706-V709 VanDerWaalsContact O-N 3.09Å
707L95.1Very high88.1Confident4 Ų423.8 Ų23.82%0.02114%0.136CC..Hα-helixtrans-61.5-29.5-178.9-70.7172.3000113L439 I443 L572 L671 H672 L675 I703 K704 V709 L710L439-L707 HydrophobicContact CD1-CD2 4.25Å; I443-L707 HydrophobicContact CD1-CD2 4.13Å; L572-L707 HydrophobicContact CD1-CD1 4.07Å; L572-L707 HydrophobicContact CD1-CD2 4.42Å; L671-L707 HydrophobicContact CD2-CD2 4.01Å; L671-L707 HydrophobicContact CG-CD1 4.45Å; H672-L707 HydrophobicContact CB-CB 3.92Å; L675-L707 HydrophobicContact CB-CD1 4.46Å; L675-L707 HydrophobicContact CD2-CD1 3.95Å; I703-L707 HydrophobicContact CG2-CD1 4.05Å; I703-L707 HydrophobicContact CG2-CG 4.45Å; I703-L707 WeakPolarHBondContact O-CG 3.15Å; I703-L707 PolarHBondContact O-N 3.03Å; K704-L707 PolarHBondContact O-N 3.17Å; L707-V709 PolarHBondContact O-N 3.26Å; L707-L710 PolarHBondContact O-N 3.01Å
708R93.3Very high88.3Confident23 Ų2324.9 Ų24.99%0.08714%0.143CC..Hα-helixtrans-59.1-27.6176.8-168.8-169.2-66.6128.11.4112.2D465 D474 H672 K704 C705 E706 L710 S711D465-R708 PolarHBondContact O-NH1 3.34Å; D474-R708 WeakPolarHBondContact OD1-CD 3.44Å; D474-R708 IonicContact OD1-CZ 2.73Å; D474-R708 IonicContact OD1-NE 3.5Å; D474-R708 PolarHBondContact OD1-NE 3.32Å; D474-R708 IonicContact OD1-NH2 2.87Å; D474-R708 IonicContact OD2-CZ 3.2Å; D474-R708 IonicContact OD2-NE 3.07Å; D474-R708 PolarHBondContact OD2-NE 3.47Å; D474-R708 IonicContact OD2-NH2 2.78Å; D474-R708 PolarHBondContact OD2-NH2 3.01Å; H672-R708 HydrophobicContact CB-CB 4.32Å; K704-R708 PolarHBondContact O-N 3.49Å; C705-R708 WeakPolarHBondContact O-CB 3.19Å; C705-R708 PolarHBondContact O-N 3.24Å; C705-R708 PolarHBondContact SG-NH1 3.45Å; C705-R708 VanDerWaalsContact SG-NH1 3.41Å; E706-R708 PolarHBondContact O-N 2.91Å; R708-L710 PolarHBondContact O-N 3.2Å; R708-S711 PolarHBondContact O-N 3.24Å; R708-S711 VanDerWaalsContact O-N 3.08Å; R708-S711 PolarHBondContact O-OG 2.94Å
709V93.2Very high88.8Confident5 Ų522.1 Ų22.13%0.0312%0.121CC..G310 helixtrans-57.5-38175.8178.40000110.9I443 L462 P464 E706 L707 S711 K712I443-V709 HydrophobicContact CG2-CB 3.95Å; I443-V709 HydrophobicContact CG2-CG1 4.16Å; L462-V709 HydrophobicContact CD2-CG1 4.19Å; P464-V709 HydrophobicContact CB-CG2 4.15Å; P464-V709 HydrophobicContact CG-CG2 4.04Å; E706-V709 WeakPolarHBondContact O-CB 3.48Å; E706-V709 WeakPolarHBondContact O-CG2 3.34Å; E706-V709 PolarHBondContact O-N 3.47Å; E706-V709 VanDerWaalsContact O-N 3.09Å; L707-V709 PolarHBondContact O-N 3.26Å; V709-S711 VanDerWaalsContact C-N 3.29Å; V709-S711 PolarHBondContact O-N 2.8Å; V709-K712 WeakPolarHBondContact O-CB 3.48Å; V709-K712 WeakPolarHBondContact O-CG 3.38Å; V709-K712 PolarHBondContact O-N 3.26Å
710L93.3Very high89.3Confident4 Ų423.7 Ų23.72%0.02113%0.125CC..G310 helixtrans-71-20.2-179.8-60.8-179.5000113.5I443 T446 L568 L666 L707 R708 K712 F713 F715I443-L710 HydrophobicContact CG1-CD1 3.99Å; I443-L710 HydrophobicContact CG1-CG 4.24Å; I443-L710 HydrophobicContact CG2-CD2 3.96Å; I443-L710 HydrophobicContact CG2-CG 4Å; T446-L710 HydrophobicContact CG2-CD2 4Å; L568-L710 HydrophobicContact CD1-CD1 4.11Å; L568-L710 HydrophobicContact CD2-CD1 3.48Å; L568-L710 VanDerWaalsContact CD2-CD1 3.48Å; L568-L710 HydrophobicContact CG-CD1 4.46Å; L666-L710 HydrophobicContact CD2-CB 3.96Å; L666-L710 HydrophobicContact CD2-CD1 3.75Å; L707-L710 PolarHBondContact O-N 3.01Å; R708-L710 PolarHBondContact O-N 3.2Å; L710-K712 PolarHBondContact O-N 2.98Å; L710-K712 VanDerWaalsContact O-N 3.12Å; L710-F713 PolarHBondContact O-N 2.9Å; L710-F713 VanDerWaalsContact O-N 3.15Å; L710-F715 HydrophobicContact CB-CE2 4.35Å; L710-F715 HydrophobicContact CD2-CZ 4.42Å
711S90.6Very high89Confident25 Ų2524.9 Ų24.918%0.17514%0.139CC..G310 helixtrans-71-5.5176.978.90000113.3Q669 R708 V709Q669-S711 PolarHBondContact NE2-O 2.99Å; Q669-S711 WeakPolarHBondContact O-CB 3.46Å; R708-S711 PolarHBondContact O-N 3.24Å; R708-S711 VanDerWaalsContact O-N 3.08Å; R708-S711 PolarHBondContact O-OG 2.94Å; V709-S711 VanDerWaalsContact C-N 3.29Å; V709-S711 PolarHBondContact O-N 2.8Å
712K88.3Confident89.1Confident70 Ų7026.1 Ų26.130%0.30414%0.142SC..G310 helixtrans-79.5-20.1173.1-58.7-177.4-172.4179.80112.6H457 T460 D461 V709 L710H457-K712 PolarHBondContact CE1-O 2.87Å; T460-K712 HydrophobicContact CG2-CB 4.15Å; T460-K712 HydrophobicContact CG2-CD 3.65Å; D461-K712 PolarHBondContact O-NZ 3.34Å; V709-K712 WeakPolarHBondContact O-CB 3.48Å; V709-K712 WeakPolarHBondContact O-CG 3.38Å; V709-K712 PolarHBondContact O-N 3.26Å; L710-K712 PolarHBondContact O-N 2.98Å; L710-K712 VanDerWaalsContact O-N 3.12Å
713F89.6Confident89.2Confident0 Ų023.9 Ų23.90%013%0.132CC..SBendtrans-107.3147.6-175.4-54.8-74.4000111.8A447 F450 H457 T460 L462 Q669 L710 F715A447-F713 HydrophobicContact CB-CD2 4.39Å; A447-F713 HydrophobicContact CB-CE2 3.45Å; A447-F713 VanDerWaalsContact CB-CE2 3.45Å; A447-F713 HydrophobicContact CB-CZ 3.66Å; F450-F713 HydrophobicContact CB-CD1 3.39Å; F450-F713 HydrophobicContact CB-CE1 3.57Å; F450-F713 HydrophobicContact CB-CG 4.21Å; F450-F713 HydrophobicContact CD1-CB 3.9Å; F450-F713 AromaticContact CD1-CD1 3.77Å; F450-F713 HydrophobicContact CD1-CD1 3.77Å; F450-F713 HydrophobicContact CD1-CG 4.15Å; F450-F713 HydrophobicContact CD2-CB 3.98Å; F450-F713 AromaticContact CD2-CD1 3.94Å; F450-F713 HydrophobicContact CD2-CD1 3.94Å; F450-F713 AromaticContact CD2-CG 3.89Å; F450-F713 HydrophobicContact CD2-CG 3.89Å; F450-F713 HydrophobicContact CE1-CB 3.81Å; F450-F713 HydrophobicContact CE2-CB 3.91Å; F450-F713 HydrophobicContact CE2-CG 4.29Å; F450-F713 HydrophobicContact CG-CB 3.99Å; F450-F713 AromaticContact CG-CD1 3.42Å; F450-F713 HydrophobicContact CG-CD1 3.42Å; F450-F713 VanDerWaalsContact CG-CD1 3.42Å; F450-F713 HydrophobicContact CG-CE1 4.11Å; F450-F713 AromaticContact CG-CG 3.82Å; F450-F713 HydrophobicContact CG-CG 3.82Å; F450-F713 HydrophobicContact CZ-CB 3.81Å; H457-F713 HydrophobicContact CB-CD1 4.39Å; H457-F713 HydrophobicContact CB-CE1 4.04Å; H457-F713 AromaticContact CG-CD1 3.99Å; T460-F713 HydrophobicContact CG2-CZ 4.48Å; L462-F713 HydrophobicContact CD2-CE2 4.23Å; L462-F713 HydrophobicContact CD2-CZ 3.77Å; Q669-F713 PolarHBondContact NE2-O 3.17Å; L710-F713 PolarHBondContact O-N 2.9Å; L710-F713 VanDerWaalsContact O-N 3.15Å; F713-F715 HydrophobicContact CB-CE2 3.88Å; F713-F715 HydrophobicContact CB-CZ 4.3Å
714A87.1Confident88.7Confident4 Ų428.1 Ų28.13%0.03316%0.16CC..  trans-96118.7179.100000110.9F450 E547 G552F450-A714 WeakPolarHBondContact CE1-O 3.09Å; E547-A714 WeakPolarHBondContact O-CB 3.35Å; G552-A714 WeakPolarHBondContact CA-O 3.25Å
715F89Confident87.4Confident3 Ų337.1 Ų37.11%0.01320%0.201CC..  trans-104147.9177.5-65.8-90.5000110.6T446 F450 S545 V560 V564 L666 N667 L710 F713 L717T446-F715 HydrophobicContact CG2-CE1 3.8Å; T446-F715 HydrophobicContact CG2-CZ 3.78Å; F450-F715 HydrophobicContact CE2-CD1 4.19Å; F450-F715 AromaticContact CE2-CE1 3.5Å; F450-F715 HydrophobicContact CE2-CE1 3.5Å; F450-F715 VanDerWaalsContact CE2-CE1 3.5Å; F450-F715 HydrophobicContact CE2-CE2 4.36Å; F450-F715 AromaticContact CE2-CZ 3.6Å; F450-F715 HydrophobicContact CE2-CZ 3.6Å; F450-F715 AromaticContact CZ-CD1 3.91Å; F450-F715 HydrophobicContact CZ-CD1 3.91Å; F450-F715 AromaticContact CZ-CE1 3.69Å; F450-F715 HydrophobicContact CZ-CE1 3.69Å; F450-F715 HydrophobicContact CZ-CE2 4.33Å; F450-F715 HydrophobicContact CZ-CG 4.33Å; F450-F715 AromaticContact CZ-CZ 3.92Å; F450-F715 HydrophobicContact CZ-CZ 3.92Å; S545-F715 PolarHBondContact OG-O 2.92Å; V560-F715 HydrophobicContact CG2-CD1 4.29Å; V560-F715 HydrophobicContact CG2-CE1 4.24Å; V564-F715 HydrophobicContact CG2-CD1 4.49Å; V564-F715 HydrophobicContact CG2-CE1 4.09Å; L666-F715 HydrophobicContact CB-CB 4.19Å; L666-F715 HydrophobicContact CB-CD1 4.48Å; L666-F715 HydrophobicContact CB-CD2 3.88Å; L666-F715 HydrophobicContact CB-CE2 4.38Å; L666-F715 HydrophobicContact CB-CG 3.93Å; L666-F715 HydrophobicContact CD2-CD2 4.43Å; L666-F715 HydrophobicContact CD2-CE2 4.1Å; L666-F715 HydrophobicContact CD2-CZ 4.39Å; N667-F715 WeakPolarHBondContact OD1-CB 3.3Å; N667-F715 PolarHBondContact OD1-O 3.35Å; L710-F715 HydrophobicContact CB-CE2 4.35Å; L710-F715 HydrophobicContact CD2-CZ 4.42Å; F713-F715 HydrophobicContact CB-CE2 3.88Å; F713-F715 HydrophobicContact CB-CZ 4.3Å; F715-L717 HydrophobicContact CB-CD1 4.2Å; F715-L717 HydrophobicContact CB-CG 4.15Å; F715-L717 HydrophobicContact CD1-CD1 3.94Å; F715-L717 HydrophobicContact CD1-CG 4.3Å; F715-L717 HydrophobicContact CG-CD1 4.38Å
716S86.1Confident85.6Confident25 Ų2545.5 Ų45.518%0.17524%0.238CC..BIsolated β-bridgetrans-137.776.9169.8-170.70000108G552 D553 D554G552-S716 CarbonylContact O-C 3.56Å; G552-S716 PolarHBondContact O-N 2.99Å; D553-S716 WeakPolarHBondContact CA-O 3.44Å; D554-S716 PolarHBondContact N-O 3.21Å; D554-S716 VanDerWaalsContact N-O 3.13Å
717L88.8Confident83Confident7 Ų754.5 Ų54.54%0.03728%0.277CS..  trans-104.4132.5-174.8-57.3170.2000111.1D554 V560 V564 C663 L666 N667 F715 Q719D554-L717 HydrophobicContact CB-CD2 3.99Å; D554-L717 WeakPolarHBondContact OD2-CA 3.33Å; V560-L717 HydrophobicContact CG1-CD2 3.69Å; V560-L717 HydrophobicContact CG2-CD2 4.19Å; V564-L717 HydrophobicContact CB-CD1 4.24Å; V564-L717 HydrophobicContact CG1-CD1 3.88Å; V564-L717 HydrophobicContact CG2-CD1 3.98Å; C663-L717 HydrophobicContact CB-CB 3.88Å; C663-L717 HydrophobicContact CB-CD1 4.15Å; L666-L717 HydrophobicContact CB-CD1 4.29Å; L666-L717 HydrophobicContact CD1-CD1 3.98Å; N667-L717 PolarHBondContact ND2-N 3.41Å; N667-L717 PolarHBondContact ND2-O 3.38Å; N667-L717 WeakPolarHBondContact OD1-CB 3.44Å; N667-L717 PolarHBondContact OD1-N 3.25Å; F715-L717 HydrophobicContact CB-CD1 4.2Å; F715-L717 HydrophobicContact CB-CG 4.15Å; F715-L717 HydrophobicContact CD1-CD1 3.94Å; F715-L717 HydrophobicContact CD1-CG 4.3Å; F715-L717 HydrophobicContact CG-CD1 4.38Å; L717-Q719 PolarHBondContact O-N 3.42Å
718S85.4Confident80.2Confident50 Ų5060.7 Ų60.735%0.3531%0.314SS..  trans-67.9117.1177.1174.10000112.7D554 R565 D720 S721D554-S718 PolarHBondContact OD1-N 3.16Å; D554-S718 VanDerWaalsContact OD1-N 3.13Å; D554-S718 PolarHBondContact OD2-N 2.93Å; R565-S718 PolarHBondContact NH2-O 3.41Å; S718-D720 PolarHBondContact O-N 3.44Å; S718-D720 PolarHBondContact OG-N 2.93Å; S718-S721 PolarHBondContact OG-N 2.95Å
719Q86Confident77.3Confident53 Ų5366.3 Ų66.325%0.24834%0.341CS..THydrogen-bonded Turntrans-67.1-18.7174.465166.718.600113.4H647 S660 V664 L717H647-Q719 PolarHBondContact CE1-O 3.21Å; S660-Q719 WeakPolarHBondContact CB-O 3.08Å; S660-Q719 PolarHBondContact OG-O 2.99Å; V664-Q719 HydrophobicContact CG2-CB 4.01Å; L717-Q719 PolarHBondContact O-N 3.42Å
720D85.8Confident74.5Confident54 Ų5475.8 Ų75.829%0.28938%0.382SS..THydrogen-bonded Turntrans-11210.8-173-62.6-44.1000111.7S646 H647 S718 E722 L723S646-D720 PolarHBondContact OG-OD1 2.93Å; H647-D720 IonicContact CE1-OD1 2.72Å; S718-D720 PolarHBondContact O-N 3.44Å; S718-D720 PolarHBondContact OG-N 2.93Å; D720-E722 VanDerWaalsContact C-N 3.26Å; D720-E722 PolarHBondContact O-N 3.42Å; D720-L723 HydrophobicContact CB-CD1 4.01Å; D720-L723 HydrophobicContact CB-CG 4.27Å; D720-L723 WeakPolarHBondContact O-CB 3.24Å; D720-L723 PolarHBondContact O-N 2.96Å; D720-L723 WeakPolarHBondContact OD1-CD1 3.4Å
721S82.8Confident71.5Confident64 Ų6480.9 Ų80.945%0.44841%0.406SS..THydrogen-bonded Turntrans-55.9-33.4-174.9173.40000114.6S718S718-S721 PolarHBondContact OG-N 2.95Å
722E86.3Confident68.9Low75 Ų7589 Ų8935%0.3544%0.441SS..THydrogen-bonded Turntrans-95.65.6179.9-66.2-177.483.100112.8V656 R659 D720V656-E722 HydrophobicContact CG1-CB 3.68Å; R659-E722 IonicContact CZ-OE1 2.59Å; R659-E722 VanDerWaalsContact CZ-OE1 3.29Å; R659-E722 IonicContact CZ-OE2 2.83Å; R659-E722 IonicContact NE-OE1 2.63Å; R659-E722 PolarHBondContact NE-OE1 3.24Å; R659-E722 VanDerWaalsContact NE-OE1 3.17Å; R659-E722 IonicContact NE-OE2 3.89Å; R659-E722 PolarHBondContact NE-OE2 2.94Å; R659-E722 IonicContact NH2-OE1 3.53Å; R659-E722 PolarHBondContact NH2-OE1 2.88Å; R659-E722 IonicContact NH2-OE2 2.63Å; D720-E722 VanDerWaalsContact C-N 3.26Å; D720-E722 PolarHBondContact O-N 3.42Å
723L86.4Confident66.1Low30 Ų3092.9 Ų92.916%0.15746%0.458CS..SBendtrans-90.3146.5175.4-54.6-169.2000110.2V650 A652 V656 D720 E725V650-L723 HydrophobicContact CG2-CD1 4.45Å; V650-L723 HydrophobicContact CG2-CD2 3.84Å; A652-L723 HydrophobicContact CB-CD2 3.96Å; V656-L723 HydrophobicContact CG1-CD2 4.32Å; D720-L723 HydrophobicContact CB-CD1 4.01Å; D720-L723 HydrophobicContact CB-CG 4.27Å; D720-L723 WeakPolarHBondContact O-CB 3.24Å; D720-L723 PolarHBondContact O-N 2.96Å; D720-L723 WeakPolarHBondContact OD1-CD1 3.4Å; L723-E725 PolarHBondContact O-N 3.12Å
724P80.4Confident63.5Low90 Ų9098.4 Ų98.458%0.58449%0.494SS*.PPolyproline II helixtrans-59.6140.5175.123.3-31.5000111V650 K726V650-P724 HydrophobicContact CB-CG 4.3Å; V650-P724 HydrophobicContact CG1-CG 4.15Å; P724-K726 PolarHBondContact O-N 3.03Å
725E65.4Low61.1Low189 Ų189105 Ų10588%0.88353%0.528SS*.PPolyproline II helixtrans-52.4125177.3-72.3-176169.800110.4L723 K727L723-E725 PolarHBondContact O-N 3.12Å; E725-K727 PolarHBondContact O-N 3.01Å
726K52.7Low58.8Low180 Ų180113.4 Ų113.478%0.78356%0.564SS**  trans-62.3112171.4-75.5179.6179.5170.50107.6P724 V728P724-K726 PolarHBondContact O-N 3.03Å; K726-V728 PolarHBondContact O-N 3.49Å
727K37.5Very low56.6Low190 Ų190120 Ų12083%0.82659%0.593SS**  trans-52.2116.7157-81-176.6177.1178.50106E725 E729E725-K727 PolarHBondContact O-N 3.01Å; K727-E729 PolarHBondContact O-N 3.19Å
728V36.3Very low54.4Low133 Ų133122.3 Ų122.381%0.80662%0.618SS**  trans-67.479.7173-177.10000107.2K726 K730K726-V728 PolarHBondContact O-N 3.49Å; V728-K730 PolarHBondContact O-N 2.58Å
729E31.6Very low52.2Low141 Ų141123.4 Ų123.466%0.65962%0.622SS**  trans-70.2111155.7-75.1-173.9168.200105.6K727 E731K727-E729 PolarHBondContact O-N 3.19Å; E729-E731 HydrophobicContact CB-CG 4.26Å; E729-E731 PolarHBondContact O-N 3.17Å
730K34.9Very low50Low205 Ų205127 Ų12789%0.89164%0.639SS**  trans-60.275.6161-78.4-180173.61780108.2V728 Q732V728-K730 PolarHBondContact O-N 2.58Å; K730-Q732 PolarHBondContact O-N 3.31Å
731E30.9Very low47.9Very low110 Ų110130.2 Ų130.251%0.51466%0.656SS.*  trans-90.991.3166.8-80-167.6136.800108.1E729 K733E729-E731 HydrophobicContact CB-CG 4.26Å; E729-E731 PolarHBondContact O-N 3.17Å; E731-K733 HydrophobicContact CB-CG 4.34Å; E731-K733 VanDerWaalsContact CD-NZ 3.25Å; E731-K733 PolarHBondContact O-N 3.33Å; E731-K733 VanDerWaalsContact OE1-CE 3.3Å; E731-K733 WeakPolarHBondContact OE1-CE 3.43Å; E731-K733 IonicContact OE1-NZ 3.09Å; E731-K733 PolarHBondContact OE1-NZ 2.6Å; E731-K733 VanDerWaalsContact OE1-NZ 3.09Å; E731-K733 WeakPolarHBondContact OE2-CE 3.33Å; E731-K733 IonicContact OE2-NZ 2.65Å; E731-K733 PolarHBondContact OE2-NZ 3.2Å
732Q35.4Very low45.9Very low197 Ų197133 Ų13392%0.92166%0.663SS**  trans-57.988.6144.4-78.2176.7-16.500106.9K730K730-Q732 PolarHBondContact O-N 3.31Å
733K29.3Very low43.8Very low150 Ų150134.5 Ų134.565%0.65267%0.674SS**PPolyproline II helixtrans-87.9116.6166.2-96.4171.2175.3152.40107.7E731E731-K733 HydrophobicContact CB-CG 4.34Å; E731-K733 VanDerWaalsContact CD-NZ 3.25Å; E731-K733 PolarHBondContact O-N 3.33Å; E731-K733 VanDerWaalsContact OE1-CE 3.3Å; E731-K733 WeakPolarHBondContact OE1-CE 3.43Å; E731-K733 IonicContact OE1-NZ 3.09Å; E731-K733 PolarHBondContact OE1-NZ 2.6Å; E731-K733 VanDerWaalsContact OE1-NZ 3.09Å; E731-K733 WeakPolarHBondContact OE2-CE 3.33Å; E731-K733 IonicContact OE2-NZ 2.65Å; E731-K733 PolarHBondContact OE2-NZ 3.2Å
734P35.3Very low41.8Very low117 Ų117138.2 Ų138.276%0.7670%0.697SS**PPolyproline II helixtrans-62147.617426.6-31.2000109.3K736P734-K736 PolarHBondContact O-N 2.99Å
735L36.9Very low39.9Very low141 Ų141142.1 Ų142.174%0.73871%0.705SS**PPolyproline II helixtrans-46.4129.2173.7-81.4143.7000109.6E737L735-E737 PolarHBondContact O-N 3.3Å
736K40.7Very low38.8Very low180 Ų180139.3 Ų139.378%0.78369%0.692SS**PPolyproline II helixtrans-50.1130.3175.4-82.2179.9171.7179.50109.6P734 G738 V739P734-K736 PolarHBondContact O-N 2.99Å; K736-G738 PolarHBondContact O-N 3.47Å; K736-V739 PolarHBondContact O-N 2.93Å
737E41Very low38.2Very low165 Ų165139.2 Ų139.277%0.77169%0.694SS**Hα-helixtrans-46-29.9179.8-72.4172.1145.600113.7L735 V739 Q740 D741L735-E737 PolarHBondContact O-N 3.3Å; E737-V739 VanDerWaalsContact C-N 3.33Å; E737-V739 PolarHBondContact O-N 3.29Å; E737-Q740 PolarHBondContact O-N 2.68Å; E737-D741 PolarHBondContact O-N 3.2Å
738G40.6Very low38.4Very low55 Ų55136.3 Ų136.357%0.56769%0.686SS**Hα-helixtrans-66.4-22.9177.100000116.1K736 M742K736-G738 PolarHBondContact O-N 3.47Å; G738-M742 PolarHBondContact O-N 3.25Å
739V41.1Very low38.3Very low73 Ų73139.3 Ų139.344%0.44269%0.689SS.*Hα-helixtrans-83.4-33.4175.5-178.30000110.5K736 E737 M742 L743K736-V739 PolarHBondContact O-N 2.93Å; E737-V739 VanDerWaalsContact C-N 3.33Å; E737-V739 PolarHBondContact O-N 3.29Å; V739-M742 PolarHBondContact O-N 3.38Å; V739-L743 HydrophobicContact CG1-CD1 4.04Å; V739-L743 WeakPolarHBondContact O-CD1 3.39Å; V739-L743 VanDerWaalsContact O-CG 3.28Å; V739-L743 WeakPolarHBondContact O-CG 3.24Å; V739-L743 PolarHBondContact O-N 3.29Å; V739-L743 VanDerWaalsContact O-N 3.16Å
740Q39.6Very low38.7Very low129 Ų129136.7 Ų136.760%0.60369%0.686SS**Hα-helixtrans-68.8-42.1176.9-153.4171.54.900110.9E737 M742 L743 V744E737-Q740 PolarHBondContact O-N 2.68Å; Q740-M742 VanDerWaalsContact C-N 3.31Å; Q740-M742 PolarHBondContact O-N 3.37Å; Q740-L743 PolarHBondContact O-N 3.35Å; Q740-V744 WeakPolarHBondContact O-CG2 3.3Å; Q740-V744 PolarHBondContact O-N 2.89Å
741D40.2Very low38.8Very low120 Ų120138 Ų13864%0.64269%0.686SS**Hα-helixtrans-63.9-33.4173.5-96.30.6000113.1E737 K745E737-D741 PolarHBondContact O-N 3.2Å; D741-K745 WeakPolarHBondContact O-CB 3.44Å; D741-K745 PolarHBondContact O-N 3.12Å
742M40.8Very low38.9Very low122 Ų122139.1 Ų139.160%0.60170%0.695SS**Hα-helixtrans-72.5-34.2178.7-154.5-170.610200112.2G738 V739 Q740 H746G738-M742 PolarHBondContact O-N 3.25Å; V739-M742 PolarHBondContact O-N 3.38Å; Q740-M742 VanDerWaalsContact C-N 3.31Å; Q740-M742 PolarHBondContact O-N 3.37Å; M742-H746 PolarHBondContact O-CD2 3.37Å
743L42.5Very low38.7Very low108 Ų108136 Ų13657%0.56568%0.683SS**Hα-helixtrans-76.2-31.2179.8-70.6165.7000112.3V739 Q740V739-L743 HydrophobicContact CG1-CD1 4.04Å; V739-L743 WeakPolarHBondContact O-CD1 3.39Å; V739-L743 VanDerWaalsContact O-CG 3.28Å; V739-L743 WeakPolarHBondContact O-CG 3.24Å; V739-L743 PolarHBondContact O-N 3.29Å; V739-L743 VanDerWaalsContact O-N 3.16Å; Q740-L743 PolarHBondContact O-N 3.35Å
744V44.9Very low38.8Very low107 Ų107136.7 Ų136.765%0.64869%0.694SS**Hα-helixtrans-75-34.1175.5174.60000111.9Q740 H746Q740-V744 WeakPolarHBondContact O-CG2 3.3Å; Q740-V744 PolarHBondContact O-N 2.89Å; V744-H746 VanDerWaalsContact C-N 3.35Å; V744-H746 PolarHBondContact O-N 3.03Å
745K41.2Very low38.8Very low173 Ų173138.4 Ų138.475%0.75273%0.733SS**Hα-helixtrans-74.4-17.9-176.6-130.5173.9-175173.20115.2D741D741-K745 WeakPolarHBondContact O-CB 3.44Å; D741-K745 PolarHBondContact O-N 3.12Å
746H42.2Very low38.9Very low130 Ų130138.3 Ų138.360%0.60273%0.733SS**THydrogen-bonded Turntrans-112.914.1-174-73.9-67000114.7M742 V744 L748M742-H746 PolarHBondContact O-CD2 3.37Å; V744-H746 VanDerWaalsContact C-N 3.35Å; V744-H746 PolarHBondContact O-N 3.03Å; H746-L748 VanDerWaalsContact C-N 3.26Å; H746-L748 PolarHBondContact O-N 2.76Å
747H40Very low38.8Very low178 Ų178136.1 Ų136.182%0.82473%0.731SS**THydrogen-bonded Turntrans49.234.5169.9-69.6-49.9000116.1
748L40.3Very low38.6Very low128 Ų128134.5 Ų134.567%0.6773%0.728SS**  trans-86.6-9.9-178.3-91.4155.8000114.7H746H746-L748 VanDerWaalsContact C-N 3.26Å; H746-L748 PolarHBondContact O-N 2.76Å
749F34.5Very low38.5Very low197 Ų197139.2 Ų139.286%0.86474%0.738SS**  trans-151.9121.4167-75.8-81.7000111
750S39.6Very low38.4Very low85 Ų85143.3 Ų143.359%0.59476%0.756SS**  trans-74.4142.2141.659.40000106
751W37.4Very low38.3Very low234 Ų234144.3 Ų144.389%0.88677%0.766SS**  -171.5146.691.2-8595.4000110.4
752D33.3Very low38.1Very low132 Ų132146 Ų14671%0.70678%0.775SS**  trans-59.9140.5169.6-70.8-58.2000114.5
753I31.1Very low37.9Very low132 Ų132147.8 Ų147.868%0.67779%0.789SS**  68133.1121.8-59.8176.4000121.3
754D31.8Very low37.6Very low164 Ų164151.2 Ų151.288%0.87781%0.807SS**  trans72.3119.3153.8-65.9-18.9000122
755G34.3Very low36.9Very low154 Ų154155.2 Ų155.2100%1.58882%0.822SS**  trans157.60167.300000113.2

Retrieved 755 of 755 residues in 626.2 ms (Link to these results)

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