A0A087XAJ8_POEFO Loading...

N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase

AlphaFold DB , UniProt , Accession A0A087XAJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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
1Y38.4Very low55.8Low177 Ų17774.4 Ų74.469%0.69439%0.394SS*.  018.90-42.9-51.9000114.8
2S36.8Very low58.9Low27 Ų2768.9 Ų68.919%0.18937%0.369CS..  trans-170.2118.2-166.4-57.40000116.1L9 R423S2-L9 VanDerWaalsContact OG-CD2 3.24Å; S2-L9 WeakPolarHBondContact OG-CD2 3.17Å; S2-R423 WeakPolarHBondContact O-CG 3.05Å; S2-R423 PolarHBondContact OG-NH2 3.11Å
3T38.5Very low61.6Low6 Ų665.2 Ų65.24%0.03735%0.348CS..EExtended strand (participates in β ladder)trans-122.5141.4167.7-46.60000110.3L9 F10 F193 L422 R423T3-L9 CarbonylContact O-C 3.59Å; T3-L9 VanDerWaalsContact O-CA 3.3Å; T3-L9 WeakPolarHBondContact O-CA 3.48Å; T3-F10 PolarHBondContact N-O 2.85Å; T3-F10 VanDerWaalsContact N-O 3.16Å; T3-F10 PolarHBondContact O-N 3.49Å; T3-F193 HydrophobicContact CG2-CE2 4.33Å; T3-L422 WeakPolarHBondContact CG2-O 3.07Å; T3-L422 WeakPolarHBondContact OG1-CA 3.49Å; T3-L422 WeakPolarHBondContact OG1-CB 3.3Å; T3-L422 PolarHBondContact OG1-O 2.02Å; T3-R423 PolarHBondContact OG1-N 3.44Å
4Y46.7Very low64Low159 Ų15961.2 Ų61.262%0.62433%0.327SS*.EExtended strand (participates in β ladder)trans-84.5109.4173.3-71-88.3000109.4F8 L9 N426Y4-F8 CarbonylContact C-O 3.46Å; Y4-F8 VanDerWaalsContact CA-O 3.25Å; Y4-F8 WeakPolarHBondContact CA-O 3.25Å; Y4-L9 HydrophobicContact CD1-CD1 4.4Å; Y4-L9 HydrophobicContact CD2-CD1 4.08Å; Y4-L9 HydrophobicContact CE1-CD1 3.99Å; Y4-L9 HydrophobicContact CE2-CD1 3.63Å; Y4-L9 HydrophobicContact CG-CD1 4.44Å; Y4-N426 PolarHBondContact O-ND2 3.44Å
5F47.9Very low66.1Low25 Ų2557.1 Ų57.111%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-116123.4165.1-175.8-96.3000107.8G7 F8 F10 M185 Q189 E192 F193F5-G7 PolarHBondContact O-N 2.81Å; F5-G7 VanDerWaalsContact O-N 3.09Å; F5-F8 PolarHBondContact N-O 3.06Å; F5-F8 PolarHBondContact O-N 2.82Å; F5-F10 HydrophobicContact CB-CD2 4.01Å; F5-F10 HydrophobicContact CB-CE2 4.01Å; F5-M185 HydrophobicContact CD1-CE 4.16Å; F5-M185 HydrophobicContact CG-CE 4.43Å; F5-Q189 HydrophobicContact CD1-CB 4.48Å; F5-Q189 HydrophobicContact CE1-CB 4.04Å; F5-Q189 HydrophobicContact CE1-CG 4.14Å; F5-E192 HydrophobicContact CE2-CG 4.23Å; F5-E192 HydrophobicContact CZ-CB 3.86Å; F5-E192 HydrophobicContact CZ-CG 3.74Å; F5-E192 WeakPolarHBondContact CZ-OE2 3.5Å; F5-F193 HydrophobicContact CD2-CB 4.29Å; F5-F193 AromaticContact CD2-CD2 3.85Å; F5-F193 HydrophobicContact CD2-CD2 3.85Å; F5-F193 HydrophobicContact CE2-CB 4.2Å; F5-F193 HydrophobicContact CE2-CD2 4.48Å; F5-F193 HydrophobicContact CG-CD2 4.4Å
6A54.3Low68.1Low82 Ų8254.4 Ų54.468%0.67829%0.291SS*.THydrogen-bonded Turntrans49.233.6-171.400000114.1F8A6-F8 WeakPolarHBondContact O-CD2 3.36Å
7G53.1Low69.7Low59 Ų5951.2 Ų51.261%0.60827%0.274SS*.THydrogen-bonded Turntrans83.90.6-178.500000115.9F5F5-G7 PolarHBondContact O-N 2.81Å; F5-G7 VanDerWaalsContact O-N 3.09Å
8F56.3Low70.9Confident135 Ų13552.7 Ų52.759%0.59228%0.279SS*.EExtended strand (participates in β ladder)trans-107.1143.7-179.9-67.7-83.2000113.1Y4 F5 A6 F10Y4-F8 CarbonylContact C-O 3.46Å; Y4-F8 VanDerWaalsContact CA-O 3.25Å; Y4-F8 WeakPolarHBondContact CA-O 3.25Å; F5-F8 PolarHBondContact N-O 3.06Å; F5-F8 PolarHBondContact O-N 2.82Å; A6-F8 WeakPolarHBondContact O-CD2 3.36Å; F8-F10 HydrophobicContact CB-CD2 4.37Å; F8-F10 HydrophobicContact CB-CE1 4.34Å; F8-F10 HydrophobicContact CB-CE2 3.52Å; F8-F10 HydrophobicContact CB-CZ 3.5Å; F8-F10 HydrophobicContact CG-CZ 4.37Å; F8-F10 WeakPolarHBondContact O-CD2 3.04Å
9L71.3Confident72Confident85 Ų8552.6 Ų52.645%0.44528%0.279SS..EExtended strand (participates in β ladder)trans-88.5110.6-176.3-15277.4000111.5S2 T3 Y4S2-L9 VanDerWaalsContact OG-CD2 3.24Å; S2-L9 WeakPolarHBondContact OG-CD2 3.17Å; T3-L9 CarbonylContact O-C 3.59Å; T3-L9 VanDerWaalsContact O-CA 3.3Å; T3-L9 WeakPolarHBondContact O-CA 3.48Å; Y4-L9 HydrophobicContact CD1-CD1 4.4Å; Y4-L9 HydrophobicContact CD2-CD1 4.08Å; Y4-L9 HydrophobicContact CE1-CD1 3.99Å; Y4-L9 HydrophobicContact CE2-CD1 3.63Å; Y4-L9 HydrophobicContact CG-CD1 4.44Å
10F81.4Confident73.1Confident22 Ų2250.6 Ų50.610%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-114.1120.1176.8-55.6-74.1000111.7T3 F5 F8 I176 G184 M185T3-F10 PolarHBondContact N-O 2.85Å; T3-F10 VanDerWaalsContact N-O 3.16Å; T3-F10 PolarHBondContact O-N 3.49Å; F5-F10 HydrophobicContact CB-CD2 4.01Å; F5-F10 HydrophobicContact CB-CE2 4.01Å; F8-F10 HydrophobicContact CB-CD2 4.37Å; F8-F10 HydrophobicContact CB-CE1 4.34Å; F8-F10 HydrophobicContact CB-CE2 3.52Å; F8-F10 HydrophobicContact CB-CZ 3.5Å; F8-F10 HydrophobicContact CG-CZ 4.37Å; F8-F10 WeakPolarHBondContact O-CD2 3.04Å; F10-I176 HydrophobicContact CB-CD1 3.51Å; F10-I176 HydrophobicContact CB-CG1 3.93Å; F10-G184 WeakPolarHBondContact CE1-O 3.41Å; F10-M185 HydrophobicContact CB-SD 4.36Å; F10-M185 HydrophobicContact CD1-CG 3.83Å; F10-M185 HydrophobicContact CD2-CG 4.17Å; F10-M185 HydrophobicContact CD2-SD 4.15Å; F10-M185 HydrophobicContact CE1-CG 3.93Å; F10-M185 HydrophobicContact CE2-CG 4.24Å; F10-M185 HydrophobicContact CG-CG 3.96Å; F10-M185 HydrophobicContact CG-SD 4.11Å; F10-M185 HydrophobicContact CZ-CG 4.12Å
11P89Confident74.1Confident41 Ų4151.4 Ų51.427%0.26627%0.273SS..  trans-79.2135.817114.6-2.9000110.7I176 D177P11-I176 WeakPolarHBondContact O-CD1 3.22Å; P11-I176 WeakPolarHBondContact O-CG1 3.48Å; P11-D177 HydrophobicContact CB-CB 4.38Å; P11-D177 HydrophobicContact CG-CB 4.1Å; P11-D177 PolarHBondContact O-N 3.27Å
12G93Very high76.5Confident9 Ų947 Ų479%0.09326%0.257CS..EExtended strand (participates in β ladder)trans175.4-172.3179.100000112.8Q175 L422G12-Q175 CarbonylContact C-O 3.55Å; G12-Q175 WeakPolarHBondContact CA-O 3.49Å; G12-L422 WeakPolarHBondContact O-CG 3.41Å
13H94.5Very high79.2Confident20 Ų2045.8 Ų45.89%0.09325%0.249CC..EExtended strand (participates in β ladder)trans-136.5138.3-168.5-57.181.7000110.1F174 Q175 Y213 A220 Y419H13-F174 WeakPolarHBondContact O-CA 3.47Å; H13-Q175 PolarHBondContact N-O 3.26Å; H13-Q175 PolarHBondContact ND1-OE1 3.36Å; H13-Q175 PolarHBondContact O-N 3.41Å; H13-Y213 HydrophobicContact CB-CD1 3.92Å; H13-Y213 HydrophobicContact CB-CD2 4.15Å; H13-Y213 HydrophobicContact CB-CE1 3.79Å; H13-Y213 HydrophobicContact CB-CE2 4.01Å; H13-Y213 HydrophobicContact CB-CG 4.1Å; H13-Y213 AromaticContact CD2-CD1 3.5Å; H13-Y213 VanDerWaalsContact CD2-CD1 3.5Å; H13-Y213 WeakPolarHBondContact CD2-CD1 3.25Å; H13-Y213 AromaticContact CD2-CE1 3.47Å; H13-Y213 VanDerWaalsContact CD2-CE1 3.47Å; H13-Y213 WeakPolarHBondContact CD2-CE1 3.3Å; H13-Y213 AromaticContact CG-CD1 3.48Å; H13-Y213 VanDerWaalsContact CG-CD1 3.48Å; H13-Y213 AromaticContact CG-CE1 3.65Å; H13-Y213 AromaticContact CG-CG 3.95Å; H13-Y213 AromaticContact ND1-CD1 3.81Å; H13-Y213 AromaticContact NE2-CD1 3.95Å; H13-A220 PolarHBondContact CE1-O 3.49Å; H13-A220 PolarHBondContact NE2-O 3.09Å; H13-Y419 HydrophobicContact CB-CE2 4.14Å; H13-Y419 AromaticContact CD2-CE2 3.57Å; H13-Y419 AromaticContact CD2-CZ 3.67Å; H13-Y419 PolarHBondContact CD2-OH 2.82Å
14M95.1Very high82Confident10 Ų1045.7 Ų45.75%0.04925%0.248CC..EExtended strand (participates in β ladder)trans-124.4125.9165-177.3175.9-90.300108.7I172 L173 F174 F193 L194 N197 V420 L422 I425M14-I172 HydrophobicContact CE-CG2 3.92Å; M14-I172 HydrophobicContact CG-CG2 3.78Å; M14-I172 HydrophobicContact SD-CG2 4.11Å; M14-L173 CarbonylContact C-O 3.52Å; M14-L173 WeakPolarHBondContact CA-O 3.37Å; M14-F174 HydrophobicContact CE-CD2 4.22Å; M14-F193 HydrophobicContact CE-CE1 3.98Å; M14-L194 HydrophobicContact CE-CD2 3.58Å; M14-N197 HydrophobicContact CE-CB 4.11Å; M14-N197 HydrophobicContact SD-CB 4.43Å; M14-V420 PolarHBondContact N-O 3.48Å; M14-V420 VanDerWaalsContact N-O 3.15Å; M14-V420 PolarHBondContact O-N 2.81Å; M14-V420 VanDerWaalsContact O-O 3.13Å; M14-L422 HydrophobicContact CB-CD2 3.65Å; M14-I425 HydrophobicContact SD-CD1 4.37Å
15T95.8Very high84.4Confident0 Ų038.3 Ų38.30%022%0.22CC..EExtended strand (participates in β ladder)trans-115.8127-179.3-370000108.8Y54 I172 L173 Y213T15-Y54 HydrophobicContact CG2-CD2 4.34Å; T15-Y54 HydrophobicContact CG2-CG 4.25Å; T15-I172 CarbonylContact O-C 3.34Å; T15-I172 VanDerWaalsContact O-CA 3.31Å; T15-I172 WeakPolarHBondContact O-CA 3.33Å; T15-L173 PolarHBondContact N-O 3.42Å; T15-L173 PolarHBondContact O-N 3.43Å; T15-Y213 WeakPolarHBondContact OG1-CE2 3.29Å; T15-Y213 PolarHBondContact OG1-OH 2.71Å
16V96.7Very high86.9Confident14 Ų1437.2 Ų37.29%0.08522%0.215CC..EExtended strand (participates in β ladder)trans-104.9124.4175.2-172.60000108.5R170 L171 I172 Y417 S418V16-R170 HydrophobicContact CG1-CB 3.72Å; V16-R170 HydrophobicContact CG1-CG 4.34Å; V16-L171 CarbonylContact C-O 3.55Å; V16-L171 WeakPolarHBondContact CA-O 3.29Å; V16-I172 HydrophobicContact CB-CD1 4.15Å; V16-I172 HydrophobicContact CG1-CD1 3.92Å; V16-I172 HydrophobicContact CG2-CD1 3.73Å; V16-Y417 CarbonylContact O-C 3.53Å; V16-Y417 WeakPolarHBondContact O-CA 3.3Å; V16-Y417 WeakPolarHBondContact O-CB 3.35Å; V16-S418 WeakPolarHBondContact CB-O 3.37Å; V16-S418 PolarHBondContact N-O 3.46Å; V16-S418 PolarHBondContact O-N 3.03Å
17V96.1Very high89Confident0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-113120.6-179.9-171.60000108.9M23 V24 R170 L171 L173 V245V17-M23 HydrophobicContact CG1-CB 3.9Å; V17-M23 HydrophobicContact CG1-SD 4.42Å; V17-V24 HydrophobicContact CB-CG2 4.48Å; V17-V24 HydrophobicContact CG1-CG2 3.96Å; V17-V24 HydrophobicContact CG2-CG2 4.48Å; V17-R170 CarbonylContact O-C 3.51Å; V17-R170 VanDerWaalsContact O-CA 3.32Å; V17-R170 WeakPolarHBondContact O-CA 3.09Å; V17-R170 WeakPolarHBondContact O-CB 3.39Å; V17-L171 HydrophobicContact CB-CB 4.16Å; V17-L171 PolarHBondContact N-O 2.94Å; V17-L171 PolarHBondContact O-N 2.85Å; V17-L173 HydrophobicContact CG2-CD1 3.91Å; V17-V245 HydrophobicContact CG1-CG1 4.13Å; V17-V245 HydrophobicContact CG2-CG1 3.94Å; V17-V245 HydrophobicContact CG2-CG2 3.75Å
18H91.5Very high91.1Very high77 Ų7731.8 Ų31.836%0.35616%0.16SC..SBendtrans-83.4-29.2-171.8-68.4-96.9000114.3R170 D416H18-R170 VanDerWaalsContact ND1-CD 3.32Å; H18-R170 WeakPolarHBondContact ND1-CD 3.38Å; H18-D416 WeakPolarHBondContact CB-O 3.43Å; H18-D416 VanDerWaalsContact CD2-C 3.5Å; H18-D416 PolarHBondContact CD2-O 3.3Å; H18-D416 PolarHBondContact N-O 3.47Å; H18-D416 VanDerWaalsContact N-O 3.1Å
19D91.4Very high93.1Very high52 Ų5225.4 Ų25.428%0.27813%0.132SC..  trans-124.675.3176.7-168.8-14.8000110.7L21 K22 M23D19-L21 VanDerWaalsContact C-N 3.26Å; D19-L21 PolarHBondContact O-N 2.87Å; D19-K22 PolarHBondContact O-N 3.33Å; D19-K22 PolarHBondContact OD1-N 2.88Å; D19-K22 WeakPolarHBondContact OD2-CD 3.18Å; D19-K22 VanDerWaalsContact OD2-CE 3.27Å; D19-K22 WeakPolarHBondContact OD2-CE 3.18Å; D19-K22 IonicContact OD2-NZ 2.71Å; D19-K22 PolarHBondContact OD2-NZ 2.96Å; D19-M23 HydrophobicContact CB-CG 4.43Å; D19-M23 HydrophobicContact CB-SD 4.39Å; D19-M23 VanDerWaalsContact O-CB 3.31Å; D19-M23 WeakPolarHBondContact O-CB 2.93Å; D19-M23 WeakPolarHBondContact O-CG 3.41Å; D19-M23 PolarHBondContact O-N 3.39Å
20P94.9Very high94.1Very high12 Ų1222.9 Ų22.98%0.07813%0.127CC..Hα-helixtrans-61.1-34.3-172.7-23.635.1000113.1K22 M23 V24 I92 L98 L171P20-K22 VanDerWaalsContact C-N 3.26Å; P20-K22 PolarHBondContact O-N 3.37Å; P20-M23 PolarHBondContact O-N 2.8Å; P20-V24 HydrophobicContact CB-CG2 4.14Å; P20-V24 VanDerWaalsContact O-CB 3.29Å; P20-V24 WeakPolarHBondContact O-CB 3.27Å; P20-V24 PolarHBondContact O-N 2.8Å; P20-I92 HydrophobicContact CB-CD1 3.97Å; P20-L98 HydrophobicContact CB-CD2 4.09Å; P20-L98 HydrophobicContact CG-CD2 4.42Å; P20-L171 HydrophobicContact CB-CB 3.94Å; P20-L171 HydrophobicContact CB-CD2 4.48Å; P20-L171 HydrophobicContact CG-CB 3.59Å
21L93.1Very high94.8Very high68 Ų6823 Ų2336%0.35613%0.134SC..Hα-helixtrans-59.4-38.4-18017862.3000112D19 I92 V116D19-L21 VanDerWaalsContact C-N 3.26Å; D19-L21 PolarHBondContact O-N 2.87Å; L21-I92 HydrophobicContact CB-CG2 4.46Å; L21-I92 HydrophobicContact CD1-CG2 3.96Å; L21-V116 HydrophobicContact CD1-CG2 3.88Å
22K89.5Confident95.1Very high83 Ų8326.5 Ų26.536%0.36116%0.157SC..Hα-helixtrans-94.2-24.6-178.3-61.7-172.1-163.2158.80114.2D19 P20 H246 P248 L249 D263D19-K22 PolarHBondContact O-N 3.33Å; D19-K22 PolarHBondContact OD1-N 2.88Å; D19-K22 WeakPolarHBondContact OD2-CD 3.18Å; D19-K22 VanDerWaalsContact OD2-CE 3.27Å; D19-K22 WeakPolarHBondContact OD2-CE 3.18Å; D19-K22 IonicContact OD2-NZ 2.71Å; D19-K22 PolarHBondContact OD2-NZ 2.96Å; P20-K22 VanDerWaalsContact C-N 3.26Å; P20-K22 PolarHBondContact O-N 3.37Å; K22-H246 PolarHBondContact O-CE1 3.08Å; K22-H246 VanDerWaalsContact O-CE1 3.23Å; K22-P248 HydrophobicContact CB-CB 4.03Å; K22-P248 HydrophobicContact CD-CB 4.33Å; K22-P248 WeakPolarHBondContact O-CA 3.24Å; K22-L249 PolarHBondContact O-N 3.45Å; K22-D263 PolarHBondContact NZ-O 3.32Å
23M93.6Very high95.2Very high3 Ų326.7 Ų26.72%0.01516%0.159CC..Hα-helixtrans-108.7-12.9-167.4-61.1-171.672.300114V17 D19 P20 V245 H246 P248 D416 Y417V17-M23 HydrophobicContact CG1-CB 3.9Å; V17-M23 HydrophobicContact CG1-SD 4.42Å; D19-M23 HydrophobicContact CB-CG 4.43Å; D19-M23 HydrophobicContact CB-SD 4.39Å; D19-M23 VanDerWaalsContact O-CB 3.31Å; D19-M23 WeakPolarHBondContact O-CB 2.93Å; D19-M23 WeakPolarHBondContact O-CG 3.41Å; D19-M23 PolarHBondContact O-N 3.39Å; P20-M23 PolarHBondContact O-N 2.8Å; M23-V245 CarbonylContact O-C 3.53Å; M23-V245 VanDerWaalsContact O-CA 3.29Å; M23-V245 WeakPolarHBondContact O-CA 3.24Å; M23-H246 WeakPolarHBondContact CB-O 3.36Å; M23-H246 VanDerWaalsContact CE-O 3.31Å; M23-H246 WeakPolarHBondContact CE-O 3.3Å; M23-H246 PolarHBondContact O-CD2 3.04Å; M23-H246 PolarHBondContact O-N 3.35Å; M23-P248 HydrophobicContact CG-CG 3.87Å; M23-P248 HydrophobicContact SD-CG 4.25Å; M23-D416 HydrophobicContact CE-CB 4.29Å; M23-D416 HydrophobicContact SD-CB 3.98Å; M23-Y417 HydrophobicContact CE-CD1 3.92Å
24V97.2Very high95.4Very high3 Ų325.8 Ų25.82%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-110.7130.4-174.9-179.90000110.6V17 P20 I92 Q117 L171 L243 C244V17-V24 HydrophobicContact CB-CG2 4.48Å; V17-V24 HydrophobicContact CG1-CG2 3.96Å; V17-V24 HydrophobicContact CG2-CG2 4.48Å; P20-V24 HydrophobicContact CB-CG2 4.14Å; P20-V24 VanDerWaalsContact O-CB 3.29Å; P20-V24 WeakPolarHBondContact O-CB 3.27Å; P20-V24 PolarHBondContact O-N 2.8Å; V24-I92 HydrophobicContact CB-CD1 4.04Å; V24-I92 HydrophobicContact CG1-CD1 4.24Å; V24-Q117 WeakPolarHBondContact O-CG 3.45Å; V24-Q117 PolarHBondContact O-NE2 2.79Å; V24-L171 HydrophobicContact CB-CD2 4.37Å; V24-L171 HydrophobicContact CG1-CD2 4Å; V24-L171 HydrophobicContact CG2-CD2 3.7Å; V24-L243 HydrophobicContact CG1-CD2 4.46Å; V24-C244 WeakPolarHBondContact CA-O 3.13Å
25S97.8Very high95.4Very high5 Ų525.8 Ų25.84%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-129.5137.2172-70.70000111.7Q117 C244 H246S25-Q117 PolarHBondContact OG-NE2 3.36Å; S25-C244 PolarHBondContact N-O 3.42Å; S25-C244 PolarHBondContact O-N 3.07Å; S25-H246 PolarHBondContact OG-NE2 3.5Å
26V98.6Very high95.4Very high1 Ų133.9 Ų33.91%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-84.9120162.6176.10000106.8V72 S74 Q117 V119 L243V26-V72 HydrophobicContact CG1-CG1 4.01Å; V26-S74 VanDerWaalsContact O-CB 3.23Å; V26-S74 WeakPolarHBondContact O-CB 3.37Å; V26-S74 PolarHBondContact O-OG 2.59Å; V26-Q117 HydrophobicContact CG2-CB 4.1Å; V26-V119 HydrophobicContact CG1-CB 4.25Å; V26-V119 HydrophobicContact CG2-CB 4.02Å; V26-V119 HydrophobicContact CG2-CG1 4.27Å; V26-L243 HydrophobicContact CG2-CD2 3.74Å
27L98.4Very high95.4Very high24 Ų2438.9 Ų38.913%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-106.4145.1-178.8-54.9-178.7000110.9T46 A50 T241 V242 C244L27-T46 HydrophobicContact CB-CG2 4.06Å; L27-T46 HydrophobicContact CD1-CG2 4.12Å; L27-A50 HydrophobicContact CD1-CB 3.34Å; L27-A50 HydrophobicContact CD2-CB 4.32Å; L27-A50 HydrophobicContact CG-CB 4.47Å; L27-T241 CarbonylContact O-C 3.02Å; L27-T241 WeakPolarHBondContact O-CA 3.47Å; L27-T241 WeakPolarHBondContact O-CB 3.2Å; L27-V242 HydrophobicContact CB-CB 4.27Å; L27-V242 PolarHBondContact N-O 2.82Å; L27-V242 PolarHBondContact O-N 3.42Å; L27-C244 HydrophobicContact CD1-CB 3.46Å; L27-C244 VanDerWaalsContact CD1-CB 3.46Å; L27-C244 HydrophobicContact CG-CB 3.77Å
28E98.5Very high95.4Very high4 Ų443.6 Ų43.62%0.01924%0.238CC..  trans-80.2154.1167.9-70.9-178.4-100.400111.6G30 G31 G33 G34 C35 R77 V79E28-G30 PolarHBondContact O-N 2.94Å; E28-G30 VanDerWaalsContact O-N 3.12Å; E28-G31 VanDerWaalsContact CB-O 3.23Å; E28-G31 WeakPolarHBondContact CB-O 3.24Å; E28-G31 PolarHBondContact O-N 2.96Å; E28-G33 VanDerWaalsContact CD-N 3.28Å; E28-G33 PolarHBondContact OE1-N 3.2Å; E28-G33 VanDerWaalsContact OE2-C 3.28Å; E28-G33 VanDerWaalsContact OE2-CA 3.28Å; E28-G33 WeakPolarHBondContact OE2-CA 3.5Å; E28-G33 PolarHBondContact OE2-N 2.94Å; E28-G34 PolarHBondContact OE2-N 2.73Å; E28-G34 VanDerWaalsContact OE2-N 3.12Å; E28-C35 HydrophobicContact CG-CB 4.42Å; E28-C35 PolarHBondContact OE2-N 3.38Å; E28-R77 IonicContact OE1-CZ 3.02Å; E28-R77 IonicContact OE1-NH2 2.74Å; E28-R77 PolarHBondContact OE1-NH2 2.74Å; E28-V79 VanDerWaalsContact CD-CG1 3.41Å; E28-V79 HydrophobicContact CG-CG1 3.83Å; E28-V79 HydrophobicContact CG-CG2 4.13Å; E28-V79 WeakPolarHBondContact OE1-CG2 3.47Å; E28-V79 WeakPolarHBondContact OE2-CG1 3.27Å
29P97.7Very high95.6Very high0 Ų045.4 Ų45.40%024%0.242CC..THydrogen-bonded Turntrans-62114.7-177.520.3-29.5000111.8G31 G34 R39 V41 S240P29-G31 VanDerWaalsContact C-N 3.26Å; P29-G31 PolarHBondContact O-N 2.8Å; P29-G34 WeakPolarHBondContact O-CA 3.24Å; P29-R39 HydrophobicContact CB-CB 4.26Å; P29-R39 WeakPolarHBondContact CB-O 3.49Å; P29-R39 HydrophobicContact CG-CB 4.22Å; P29-R39 WeakPolarHBondContact CG-O 3.5Å; P29-V41 HydrophobicContact CB-CB 4.38Å; P29-V41 HydrophobicContact CB-CG2 4.3Å; P29-S240 WeakPolarHBondContact CA-O 3.24Å; P29-S240 VanDerWaalsContact CB-O 3.24Å; P29-S240 WeakPolarHBondContact CB-O 3.41Å; P29-S240 WeakPolarHBondContact CD-O 3.2Å
30G93.6Very high95.8Very high33 Ų3345.9 Ų45.934%0.3424%0.24SC..THydrogen-bonded Turntrans7214.7-17800000115E28 T46E28-G30 PolarHBondContact O-N 2.94Å; E28-G30 VanDerWaalsContact O-N 3.12Å; G30-T46 PolarHBondContact N-OG1 2.95Å
31G94.5Very high96Very high24 Ų2446.7 Ų46.725%0.24724%0.244CC..SBendtrans107.3-178.5176.300000114.8E28 P29 G33 G34E28-G31 VanDerWaalsContact CB-O 3.23Å; E28-G31 WeakPolarHBondContact CB-O 3.24Å; E28-G31 PolarHBondContact O-N 2.96Å; P29-G31 VanDerWaalsContact C-N 3.26Å; P29-G31 PolarHBondContact O-N 2.8Å; G31-G33 PolarHBondContact O-N 3.16Å; G31-G34 PolarHBondContact O-N 3.01Å
32P96.4Very high96.2Very high114 Ų11444 Ų4474%0.7423%0.231SC*.THydrogen-bonded Turntrans-52.4129.9-174-28.836.5000113.5
33G95.4Very high96.6Very high13 Ų1340 Ų4013%0.13421%0.214CC..THydrogen-bonded Turntrans88.7-2.4-176.800000114.3E28 G31 C35 E36 M37E28-G33 VanDerWaalsContact CD-N 3.28Å; E28-G33 PolarHBondContact OE1-N 3.2Å; E28-G33 VanDerWaalsContact OE2-C 3.28Å; E28-G33 VanDerWaalsContact OE2-CA 3.28Å; E28-G33 WeakPolarHBondContact OE2-CA 3.5Å; E28-G33 PolarHBondContact OE2-N 2.94Å; G31-G33 PolarHBondContact O-N 3.16Å; G33-C35 VanDerWaalsContact C-N 3.26Å; G33-C35 PolarHBondContact O-N 3.44Å; G33-E36 PolarHBondContact O-N 3.19Å; G33-M37 WeakPolarHBondContact O-CB 3.26Å; G33-M37 WeakPolarHBondContact O-CG 3.28Å; G33-M37 PolarHBondContact O-N 3.25Å
34G96.8Very high96.8Very high2 Ų242.1 Ų42.12%0.02122%0.224CC..THydrogen-bonded Turntrans-56.4-37.1177.600000113.7E28 P29 G31 K38 R39E28-G34 PolarHBondContact OE2-N 2.73Å; E28-G34 VanDerWaalsContact OE2-N 3.12Å; P29-G34 WeakPolarHBondContact O-CA 3.24Å; G31-G34 PolarHBondContact O-N 3.01Å; G34-K38 PolarHBondContact O-N 3.26Å; G34-R39 PolarHBondContact O-N 2.94Å
35C96.3Very high96.9Very high10 Ų1046.8 Ų46.87%0.06825%0.249CC..THydrogen-bonded Turntrans-70.7-43.2178.7-850000112.8E28 G33 M37 K38 C68 V79E28-C35 HydrophobicContact CG-CB 4.42Å; E28-C35 PolarHBondContact OE2-N 3.38Å; G33-C35 VanDerWaalsContact C-N 3.26Å; G33-C35 PolarHBondContact O-N 3.44Å; C35-M37 VanDerWaalsContact C-N 3.27Å; C35-M37 PolarHBondContact O-N 3.16Å; C35-K38 PolarHBondContact O-N 3.22Å; C35-C68 WeakPolarHBondContact CA-SG 3.48Å; C35-C68 HydrophobicContact CB-CB 3.92Å; C35-C68 WeakPolarHBondContact CB-SG 3.41Å; C35-C68 WeakPolarHBondContact SG-CB 3.4Å; C35-C68 CovalentContact SG-SG 2.04Å; C35-C68 PolarHBondContact SG-SG 2.86Å; C35-V79 HydrophobicContact CB-CG1 3.45Å; C35-V79 VanDerWaalsContact CB-CG1 3.45Å
36E95.4Very high96.9Very high170 Ų17046.7 Ų46.779%0.79425%0.248SC*.THydrogen-bonded Turntrans-61.5-39.9176.5-175179.8-17800111.1G33 K38G33-E36 PolarHBondContact O-N 3.19Å; E36-K38 PolarHBondContact O-N 3.47Å
37M95.9Very high96.8Very high118 Ų11846.7 Ų46.758%0.58125%0.248SC*.THydrogen-bonded Turntrans-76.8-0.7176.4-65.5-171.875.300114.2G33 C35 R39G33-M37 WeakPolarHBondContact O-CB 3.26Å; G33-M37 WeakPolarHBondContact O-CG 3.28Å; G33-M37 PolarHBondContact O-N 3.25Å; C35-M37 VanDerWaalsContact C-N 3.27Å; C35-M37 PolarHBondContact O-N 3.16Å; M37-R39 HydrophobicContact CB-CG 3.87Å; M37-R39 PolarHBondContact O-N 3.08Å; M37-R39 PolarHBondContact SD-NE 2.91Å; M37-R39 VanDerWaalsContact SD-NE 3.44Å; M37-R39 PolarHBondContact SD-NH2 3.42Å
38K96Very high96.7Very high100 Ų10053 Ų5344%0.43527%0.274SS..THydrogen-bonded Turntrans51.241.6-176-51.4-175.6-174.2-168.70112.2G34 C35 E36 S66 E67G34-K38 PolarHBondContact O-N 3.26Å; C35-K38 PolarHBondContact O-N 3.22Å; E36-K38 PolarHBondContact O-N 3.47Å; K38-S66 WeakPolarHBondContact CA-O 3.49Å; K38-S66 WeakPolarHBondContact O-CB 3.13Å; K38-E67 HydrophobicContact CD-CG 3.79Å; K38-E67 HydrophobicContact CG-CG 4.29Å; K38-E67 IonicContact NZ-OE1 2.63Å; K38-E67 PolarHBondContact NZ-OE1 2.88Å
39R96.2Very high96.5Very high114 Ų11457 Ų5743%0.4331%0.307SS..  trans-77153177.5-69.8-174.1-175.6-167.92.3110.5P29 G34 M37P29-R39 HydrophobicContact CB-CB 4.26Å; P29-R39 WeakPolarHBondContact CB-O 3.49Å; P29-R39 HydrophobicContact CG-CB 4.22Å; P29-R39 WeakPolarHBondContact CG-O 3.5Å; G34-R39 PolarHBondContact O-N 2.94Å; M37-R39 HydrophobicContact CB-CG 3.87Å; M37-R39 PolarHBondContact O-N 3.08Å; M37-R39 PolarHBondContact SD-NE 2.91Å; M37-R39 VanDerWaalsContact SD-NE 3.44Å; M37-R39 PolarHBondContact SD-NH2 3.42Å
40R97.1Very high96.3Very high63 Ų6359.1 Ų59.124%0.23833%0.325CS..  trans-126.7133163-70173.758.6-177-5.5107.6F61 T63 S66 E238 V239R40-F61 HydrophobicContact CG-CD2 4.49Å; R40-F61 HydrophobicContact CG-CE2 4.41Å; R40-F61 VanDerWaalsContact CZ-CE2 3.45Å; R40-F61 VanDerWaalsContact NE-CE2 3.32Å; R40-T63 PolarHBondContact NH1-O 3.27Å; R40-S66 WeakPolarHBondContact CD-OG 3.29Å; R40-E238 HydrophobicContact CB-CB 3.79Å; R40-E238 VanDerWaalsContact CZ-O 3.23Å; R40-E238 PolarHBondContact NE-O 3.46Å; R40-E238 PolarHBondContact NH2-O 2.95Å; R40-V239 VanDerWaalsContact CA-O 3.27Å; R40-V239 WeakPolarHBondContact CA-O 3.38Å
41V97.5Very high96.3Very high28 Ų2860 Ų6017%0.1734%0.335CS..BIsolated β-bridgetrans-141.5149-177.4-177.80000108P29 D45 T46 V239P29-V41 HydrophobicContact CB-CB 4.38Å; P29-V41 HydrophobicContact CB-CG2 4.3Å; V41-D45 HydrophobicContact CG1-CB 3.74Å; V41-T46 WeakPolarHBondContact CG1-OG1 3.45Å; V41-V239 PolarHBondContact N-O 3.46Å; V41-V239 PolarHBondContact O-N 3.45Å
42S97.8Very high96.4Very high11 Ų1159.2 Ų59.28%0.07733%0.325CS..  trans-58.6152.3174.276.50000110.8E44 D45 T46S42-E44 PolarHBondContact O-N 3.36Å; S42-D45 WeakPolarHBondContact OG-CB 3.27Å; S42-D45 PolarHBondContact OG-N 2.9Å; S42-D45 PolarHBondContact OG-OD2 3.34Å; S42-T46 PolarHBondContact O-N 2.92Å; S42-T46 PolarHBondContact O-OG1 3.46Å; S42-T46 VanDerWaalsContact O-OG1 3.07Å
43V98.5Very high96.3Very high0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-62-37.2172.4-179.50000110.1A47 A55 N57 T212 V214 V239 V242V43-A47 WeakPolarHBondContact O-CB 3.24Å; V43-A47 PolarHBondContact O-N 3.48Å; V43-A55 HydrophobicContact CG1-CB 3.8Å; V43-N57 HydrophobicContact CG2-CB 3.97Å; V43-T212 HydrophobicContact CB-CG2 3.84Å; V43-T212 HydrophobicContact CG2-CG2 3.93Å; V43-V214 HydrophobicContact CB-CG2 4.04Å; V43-V214 HydrophobicContact CG1-CB 4.3Å; V43-V214 HydrophobicContact CG1-CG2 3.7Å; V43-V239 HydrophobicContact CG2-CG2 3.52Å; V43-V242 HydrophobicContact CB-CG2 4.43Å; V43-V242 HydrophobicContact CG1-CG1 3.98Å; V43-V242 HydrophobicContact CG1-CG2 4.28Å; V43-V242 HydrophobicContact CG2-CG2 4.12Å
44E97.9Very high96.4Very high48 Ų4855.3 Ų55.322%0.22429%0.294CS..Hα-helixtrans-58.5-51.2179.5-67.4163.6-115.500112S42 A47 K48 V214 L219 S236S42-E44 PolarHBondContact O-N 3.36Å; E44-A47 PolarHBondContact O-N 3.32Å; E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 PolarHBondContact O-N 3.26Å; E44-V214 HydrophobicContact CB-CG2 4.48Å; E44-V214 HydrophobicContact CG-CG2 3.64Å; E44-L219 HydrophobicContact CG-CB 4.28Å; E44-S236 PolarHBondContact OE1-OG 2.79Å
45D97.7Very high96.5Very high101 Ų10155.2 Ų55.254%0.5429%0.293SS..Hα-helixtrans-68.5-42.7-177.7-65.4-44.3000111.6V41 S42 A47 K48 A49V41-D45 HydrophobicContact CG1-CB 3.74Å; S42-D45 WeakPolarHBondContact OG-CB 3.27Å; S42-D45 PolarHBondContact OG-N 2.9Å; S42-D45 PolarHBondContact OG-OD2 3.34Å; D45-A47 VanDerWaalsContact C-N 3.35Å; D45-K48 PolarHBondContact O-N 3.44Å; D45-A49 WeakPolarHBondContact O-CB 3.34Å; D45-A49 PolarHBondContact O-N 2.88Å
46T97.9Very high96.6Very high3 Ų354.8 Ų54.82%0.01829%0.289CS..Hα-helixtrans-63.9-42.8177-55.70000110.8L27 G30 V41 S42 A50 V242L27-T46 HydrophobicContact CB-CG2 4.06Å; L27-T46 HydrophobicContact CD1-CG2 4.12Å; G30-T46 PolarHBondContact N-OG1 2.95Å; V41-T46 WeakPolarHBondContact CG1-OG1 3.45Å; S42-T46 PolarHBondContact O-N 2.92Å; S42-T46 PolarHBondContact O-OG1 3.46Å; S42-T46 VanDerWaalsContact O-OG1 3.07Å; T46-A50 WeakPolarHBondContact O-CB 3.34Å; T46-A50 PolarHBondContact O-N 3.5Å; T46-V242 HydrophobicContact CG2-CB 4.17Å; T46-V242 HydrophobicContact CG2-CG2 4Å
47A97.3Very high96.8Very high0 Ų046.7 Ų46.70%025%0.252CS..Hα-helixtrans-66.6-42.617900000112.3V43 E44 D45 A50 G51 C52 A55 V214V43-A47 WeakPolarHBondContact O-CB 3.24Å; V43-A47 PolarHBondContact O-N 3.48Å; E44-A47 PolarHBondContact O-N 3.32Å; D45-A47 VanDerWaalsContact C-N 3.35Å; A47-A50 PolarHBondContact O-N 3.48Å; A47-G51 PolarHBondContact O-N 3.33Å; A47-C52 VanDerWaalsContact CA-SG 3.57Å; A47-C52 HydrophobicContact CB-CB 3.92Å; A47-C52 PolarHBondContact O-N 3.43Å; A47-C52 PolarHBondContact O-SG 3.06Å; A47-A55 HydrophobicContact CB-CB 3.55Å; A47-V214 HydrophobicContact CB-CG1 4.18Å
48K95.8Very high96.8Very high158 Ų15841.1 Ų41.169%0.68722%0.224SC*.Hα-helixtrans-64.6-43178.1-174.7176.6-178.7179.10111.6E44 D45 A50 G51E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 PolarHBondContact O-N 3.26Å; D45-K48 PolarHBondContact O-N 3.44Å; K48-A50 VanDerWaalsContact C-N 3.26Å; K48-A50 PolarHBondContact O-N 2.88Å; K48-G51 PolarHBondContact O-N 3.49Å
49A94.8Very high96.9Very high86 Ų8636.5 Ų36.571%0.71121%0.205SC*.Hα-helixtrans-63.5-32.3177.100000112.6D45D45-A49 WeakPolarHBondContact O-CB 3.34Å; D45-A49 PolarHBondContact O-N 2.88Å
50A93.4Very high96.9Very high45 Ų4531.6 Ų31.637%0.37219%0.187SC..Hα-helixtrans-93.6-1.3-179.600000114.7L27 T46 A47 K48L27-A50 HydrophobicContact CD1-CB 3.34Å; L27-A50 HydrophobicContact CD2-CB 4.32Å; L27-A50 HydrophobicContact CG-CB 4.47Å; T46-A50 WeakPolarHBondContact O-CB 3.34Å; T46-A50 PolarHBondContact O-N 3.5Å; A47-A50 PolarHBondContact O-N 3.48Å; K48-A50 VanDerWaalsContact C-N 3.26Å; K48-A50 PolarHBondContact O-N 2.88Å
51G93.8Very high96.8Very high53 Ų5329 Ų2955%0.54618%0.177SC..THydrogen-bonded Turntrans68.134.7-179.200000114A47 K48A47-G51 PolarHBondContact O-N 3.33Å; K48-G51 PolarHBondContact O-N 3.49Å
52C96.2Very high96.6Very high7 Ų731.8 Ų31.85%0.04719%0.187CC..  trans-71.9133.8179.1-510000111.7A47 A55 C244 V245A47-C52 VanDerWaalsContact CA-SG 3.57Å; A47-C52 HydrophobicContact CB-CB 3.92Å; A47-C52 PolarHBondContact O-N 3.43Å; A47-C52 PolarHBondContact O-SG 3.06Å; C52-A55 HydrophobicContact CB-CB 4.19Å; C52-C244 HydrophobicContact CB-CB 4.14Å; C52-C244 WeakPolarHBondContact CB-SG 3.39Å; C52-C244 WeakPolarHBondContact SG-CB 3.2Å; C52-C244 CovalentContact SG-SG 2.02Å; C52-C244 PolarHBondContact SG-SG 2.88Å; C52-V245 CarbonylContact C-O 3.48Å
53L95.4Very high96.2Very high23 Ų2333.6 Ų33.612%0.1220%0.198CC..SBendtrans-72.8-43.8167.3-60.6176.5000110.5N216 V245 Q247 Y417L53-N216 PolarHBondContact O-N 3.26Å; L53-V245 PolarHBondContact N-O 3.36Å; L53-Q247 HydrophobicContact CD1-CG 3.92Å; L53-Q247 HydrophobicContact CD2-CG 4.44Å; L53-Q247 HydrophobicContact CG-CG 4.39Å; L53-Y417 HydrophobicContact CD1-CD1 4.33Å; L53-Y417 HydrophobicContact CD1-CE1 3.61Å
54Y97.3Very high95.7Very high22 Ų2243 Ų439%0.08624%0.239CC..EExtended strand (participates in β ladder)trans-133.7144.4174.3-56.3-88.3000109.1T15 Y213 V214 V215 V245 Y417 Y419T15-Y54 HydrophobicContact CG2-CD2 4.34Å; T15-Y54 HydrophobicContact CG2-CG 4.25Å; Y54-Y213 HydrophobicContact CD1-CE1 4.27Å; Y54-Y213 AromaticContact CD1-CZ 3.96Å; Y54-Y213 WeakPolarHBondContact CD1-OH 3.4Å; Y54-V214 CarbonylContact C-O 3.58Å; Y54-V214 WeakPolarHBondContact CA-O 3.41Å; Y54-V215 HydrophobicContact CD1-CB 4.45Å; Y54-V215 HydrophobicContact CD1-CG1 4.24Å; Y54-V215 HydrophobicContact CD1-CG2 3.91Å; Y54-V215 HydrophobicContact CE1-CB 4.45Å; Y54-V215 HydrophobicContact CE1-CG1 3.83Å; Y54-V215 HydrophobicContact CE1-CG2 4Å; Y54-V245 PolarHBondContact N-O 2.58Å; Y54-V245 VanDerWaalsContact N-O 3.14Å; Y54-V245 PolarHBondContact O-N 3.01Å; Y54-Y417 HydrophobicContact CD2-CD2 4.41Å; Y54-Y417 AromaticContact CE2-CD2 3.48Å; Y54-Y417 HydrophobicContact CE2-CD2 3.48Å; Y54-Y417 VanDerWaalsContact CE2-CD2 3.48Å; Y54-Y417 AromaticContact CE2-CE2 3.33Å; Y54-Y417 HydrophobicContact CE2-CE2 3.33Å; Y54-Y417 HydrophobicContact CE2-CG 4.25Å; Y54-Y417 AromaticContact CE2-CZ 3.95Å; Y54-Y417 AromaticContact CZ-CE2 3.75Å; Y54-Y417 VanDerWaalsContact OH-CE2 3.29Å; Y54-Y417 WeakPolarHBondContact OH-CE2 3.12Å; Y54-Y419 HydrophobicContact CE1-CD2 4.29Å; Y54-Y419 HydrophobicContact CE1-CG 4.19Å
55A98.3Very high95.4Very high0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-145.7146.1172.600000111.4V43 A47 C52 Y213 V214 V242 L243V43-A55 HydrophobicContact CG1-CB 3.8Å; A47-A55 HydrophobicContact CB-CB 3.55Å; C52-A55 HydrophobicContact CB-CB 4.19Å; A55-Y213 WeakPolarHBondContact O-CA 3.4Å; A55-V214 HydrophobicContact CB-CB 4.28Å; A55-V214 PolarHBondContact N-O 3.48Å; A55-V214 PolarHBondContact O-N 3.49Å; A55-V242 HydrophobicContact CB-CG1 3.88Å; A55-L243 VanDerWaalsContact CA-O 3.25Å; A55-L243 WeakPolarHBondContact CA-O 3.27Å
56Q98.6Very high95.2Very high0 Ų039.3 Ų39.30%023%0.226CC..EExtended strand (participates in β ladder)trans-132160.1167.369-178.720.700110.1A162 L173 F174 T212 Y213 V242 L243Q56-A162 PolarHBondContact NE2-O 2.89Å; Q56-L173 HydrophobicContact CG-CD2 4.16Å; Q56-F174 PolarHBondContact OE1-O 2.95Å; Q56-T212 WeakPolarHBondContact CA-O 3.44Å; Q56-T212 WeakPolarHBondContact CB-O 3.44Å; Q56-Y213 HydrophobicContact CB-CD2 4.26Å; Q56-V242 WeakPolarHBondContact O-CG1 3.48Å; Q56-L243 HydrophobicContact CG-CB 4.08Å; Q56-L243 PolarHBondContact N-O 3Å; Q56-L243 PolarHBondContact O-N 3.2Å
57N98.6Very high95Very high1 Ų141.7 Ų41.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-58.9148.5171.865.7-76.3000110.8V43 T161 D206 S210 S211 T212 V239V43-N57 HydrophobicContact CG2-CB 3.97Å; N57-T161 VanDerWaalsContact OD1-CG2 3.32Å; N57-T161 WeakPolarHBondContact OD1-CG2 3.31Å; N57-D206 PolarHBondContact ND2-O 3.45Å; N57-S210 WeakPolarHBondContact CB-O 3.26Å; N57-S210 PolarHBondContact OD1-O 3.28Å; N57-S210 VanDerWaalsContact OD1-O 3.05Å; N57-S211 VanDerWaalsContact OD1-CA 3.32Å; N57-S211 WeakPolarHBondContact OD1-CA 3.42Å; N57-T212 PolarHBondContact N-O 2.93Å; N57-T212 PolarHBondContact OD1-N 2.81Å; N57-V239 HydrophobicContact CB-CB 4.42Å; N57-V239 HydrophobicContact CB-CG1 4.14Å; N57-V239 HydrophobicContact CB-CG2 4.16Å
58G97.8Very high94.9Very high0 Ų041.8 Ų41.80%024%0.238CC..  trans-97.9-128.4-176.800000112.7D206 T241G58-D206 PolarHBondContact O-N 3.02Å; G58-T241 WeakPolarHBondContact CA-O 3.49Å; G58-T241 PolarHBondContact N-O 3.43Å
59G96.3Very high94.9Very high3 Ų336 Ų363%0.03121%0.214CC..SBendtrans-75.4173.1-177.300000114.3S120 T241G59-S120 VanDerWaalsContact CA-O 3.3Å; G59-S120 WeakPolarHBondContact CA-O 3.14Å; G59-T241 PolarHBondContact N-OG1 3.33Å
60F96.3Very high94.9Very high11 Ų1132.4 Ų32.45%0.04819%0.186CC..  trans-70.9160.2-178.3-66.7-90.4000112.8L69 V122 E145 F153 L205 D206F60-L69 HydrophobicContact CB-CB 4.4Å; F60-L69 HydrophobicContact CB-CD1 4.24Å; F60-L69 WeakPolarHBondContact O-CB 3.47Å; F60-L69 PolarHBondContact O-N 3.07Å; F60-L69 VanDerWaalsContact O-N 3.07Å; F60-V122 HydrophobicContact CD2-CG2 3.75Å; F60-V122 HydrophobicContact CE2-CB 3.94Å; F60-V122 HydrophobicContact CE2-CG2 3.68Å; F60-V122 HydrophobicContact CG-CG2 4.41Å; F60-V122 HydrophobicContact CZ-CB 4.32Å; F60-V122 HydrophobicContact CZ-CG2 4.28Å; F60-E145 WeakPolarHBondContact CD1-OE1 3.29Å; F60-E145 WeakPolarHBondContact CE1-OE1 3.41Å; F60-E145 WeakPolarHBondContact CE1-OE2 3.44Å; F60-E145 WeakPolarHBondContact CE2-OE1 3.35Å; F60-E145 WeakPolarHBondContact CZ-OE1 3.39Å; F60-F153 HydrophobicContact CZ-CZ 4.21Å; F60-L205 VanDerWaalsContact CZ-C 3.48Å; F60-L205 WeakPolarHBondContact CZ-O 3.43Å; F60-D206 HydrophobicContact CD1-CB 3.93Å; F60-D206 HydrophobicContact CD2-CB 4.5Å; F60-D206 HydrophobicContact CE1-CB 3.82Å; F60-D206 WeakPolarHBondContact CE1-OD1 3.42Å; F60-D206 HydrophobicContact CE2-CB 4.41Å; F60-D206 HydrophobicContact CG-CB 4.26Å; F60-D206 VanDerWaalsContact CZ-CA 3.41Å; F60-D206 HydrophobicContact CZ-CB 4.07Å
61F95.7Very high95Very high9 Ų930.4 Ų30.44%0.03917%0.169CC..BIsolated β-bridgetrans-151.3156.417664-81.7000110.2R40 T63 E67 D206 V239 S240R40-F61 HydrophobicContact CG-CD2 4.49Å; R40-F61 HydrophobicContact CG-CE2 4.41Å; R40-F61 VanDerWaalsContact CZ-CE2 3.45Å; R40-F61 VanDerWaalsContact NE-CE2 3.32Å; F61-T63 HydrophobicContact CE2-CG2 4.29Å; F61-T63 PolarHBondContact O-N 3.35Å; F61-E67 CarbonylContact C-O 3.54Å; F61-E67 WeakPolarHBondContact CA-O 3.37Å; F61-E67 VanDerWaalsContact CB-O 3.31Å; F61-E67 WeakPolarHBondContact CB-O 3.43Å; F61-D206 WeakPolarHBondContact CE1-OD2 3.27Å; F61-V239 HydrophobicContact CE1-CB 4.17Å; F61-V239 HydrophobicContact CE1-CG1 4.31Å; F61-S240 VanDerWaalsContact CB-CB 3.49Å
62K92.8Very high95.2Very high86 Ų8628 Ų2837%0.37414%0.143SC..  trans-73.4119.9173.7-70.4-176.3-175.6163.10109.9K64 S65 S66 E67 L69K62-K64 PolarHBondContact O-N 3.48Å; K62-S65 WeakPolarHBondContact CB-OG 3.44Å; K62-S65 VanDerWaalsContact CD-OG 3.31Å; K62-S65 WeakPolarHBondContact CD-OG 3.42Å; K62-S65 PolarHBondContact O-N 3.32Å; K62-S66 VanDerWaalsContact O-CA 3.31Å; K62-S66 WeakPolarHBondContact O-CA 3.24Å; K62-S66 PolarHBondContact O-N 3.37Å; K62-E67 HydrophobicContact CB-CB 4.48Å; K62-E67 HydrophobicContact CD-CB 4.35Å; K62-E67 WeakPolarHBondContact CD-OE2 3.42Å; K62-E67 PolarHBondContact N-O 2.78Å; K62-E67 IonicContact NZ-OE2 3.91Å; K62-E67 PolarHBondContact NZ-OE2 2.95Å; K62-L69 HydrophobicContact CG-CD1 4.19Å; K62-L69 HydrophobicContact CG-CD2 4.06Å; K62-L69 HydrophobicContact CG-CG 4.37Å
63T89Confident95.3Very high50 Ų5027.9 Ų27.931%0.30714%0.142SC..THydrogen-bonded Turntrans-66.4-27.8-172.562.50000113.1R40 F61 E146R40-T63 PolarHBondContact NH1-O 3.27Å; F61-T63 HydrophobicContact CE2-CG2 4.29Å; F61-T63 PolarHBondContact O-N 3.35Å; T63-E146 WeakPolarHBondContact CB-OE2 3.32Å; T63-E146 WeakPolarHBondContact CG2-OE2 3.23Å; T63-E146 PolarHBondContact N-OE1 3.39Å; T63-E146 VanDerWaalsContact N-OE1 3.08Å; T63-E146 PolarHBondContact OG1-OE1 2.79Å; T63-E146 PolarHBondContact OG1-OE2 2.92Å
64K89.3Confident95.4Very high198 Ų19827.4 Ų27.486%0.86114%0.141SC*.THydrogen-bonded Turntrans-87.4-40.2-179.1-64.5-179.3-178.2174.70114.2K62K62-K64 PolarHBondContact O-N 3.48Å
65S91.4Very high95.3Very high45 Ų4530.2 Ų30.232%0.31516%0.164SC..THydrogen-bonded Turntrans-102.9-6-175.462.20000113.9K62 E67K62-S65 WeakPolarHBondContact CB-OG 3.44Å; K62-S65 VanDerWaalsContact CD-OG 3.31Å; K62-S65 WeakPolarHBondContact CD-OG 3.42Å; K62-S65 PolarHBondContact O-N 3.32Å; S65-E67 PolarHBondContact O-N 2.59Å; S65-E67 VanDerWaalsContact O-N 3.16Å
66S93.4Very high95.1Very high25 Ų2532.5 Ų32.518%0.17519%0.187CC..  trans60.719.5179.5-56.30000114.5K38 R40 K62K38-S66 WeakPolarHBondContact CA-O 3.49Å; K38-S66 WeakPolarHBondContact O-CB 3.13Å; R40-S66 WeakPolarHBondContact CD-OG 3.29Å; K62-S66 VanDerWaalsContact O-CA 3.31Å; K62-S66 WeakPolarHBondContact O-CA 3.24Å; K62-S66 PolarHBondContact O-N 3.37Å
67E94.3Very high95Very high54 Ų5438.3 Ų38.325%0.25221%0.209SC..  trans-75.1129.7177.5-68.3174.6172.700110.4K38 F61 K62 S65K38-E67 HydrophobicContact CD-CG 3.79Å; K38-E67 HydrophobicContact CG-CG 4.29Å; K38-E67 IonicContact NZ-OE1 2.63Å; K38-E67 PolarHBondContact NZ-OE1 2.88Å; F61-E67 CarbonylContact C-O 3.54Å; F61-E67 WeakPolarHBondContact CA-O 3.37Å; F61-E67 VanDerWaalsContact CB-O 3.31Å; F61-E67 WeakPolarHBondContact CB-O 3.43Å; K62-E67 HydrophobicContact CB-CB 4.48Å; K62-E67 HydrophobicContact CD-CB 4.35Å; K62-E67 WeakPolarHBondContact CD-OE2 3.42Å; K62-E67 PolarHBondContact N-O 2.78Å; K62-E67 IonicContact NZ-OE2 3.91Å; K62-E67 PolarHBondContact NZ-OE2 2.95Å; S65-E67 PolarHBondContact O-N 2.59Å; S65-E67 VanDerWaalsContact O-N 3.16Å
68C95.6Very high94.9Very high2 Ų241.7 Ų41.71%0.01423%0.227CC..BIsolated β-bridgetrans-62.4139.3167.8-56.20000110.1C35 Q80 S240C35-C68 WeakPolarHBondContact CA-SG 3.48Å; C35-C68 HydrophobicContact CB-CB 3.92Å; C35-C68 WeakPolarHBondContact CB-SG 3.41Å; C35-C68 WeakPolarHBondContact SG-CB 3.4Å; C35-C68 CovalentContact SG-SG 2.04Å; C35-C68 PolarHBondContact SG-SG 2.86Å; C68-Q80 HydrophobicContact CB-CG 4.49Å; C68-Q80 PolarHBondContact O-NE2 3.34Å; C68-S240 PolarHBondContact SG-OG 2.86Å
69L94.8Very high94.7Very high35 Ų3543.2 Ų43.218%0.18324%0.236CC..  trans-111.6153.3-179.8-65.4175.8000112.2F60 K62F60-L69 HydrophobicContact CB-CB 4.4Å; F60-L69 HydrophobicContact CB-CD1 4.24Å; F60-L69 WeakPolarHBondContact O-CB 3.47Å; F60-L69 PolarHBondContact O-N 3.07Å; F60-L69 VanDerWaalsContact O-N 3.07Å; K62-L69 HydrophobicContact CG-CD1 4.19Å; K62-L69 HydrophobicContact CG-CD2 4.06Å; K62-L69 HydrophobicContact CG-CG 4.37Å
70G94.6Very high94.7Very high12 Ų1246.3 Ų46.312%0.12425%0.25CC..SBendtrans70.1-172.3179.700000113.9Q80G70-Q80 WeakPolarHBondContact O-CG 3.47Å
71N96.7Very high94.4Very high2 Ų247.9 Ų47.91%0.01126%0.259CS..  trans-73.9132.8174.7-63.1-45.8000110.3Q80 S82 Q89 L118 S120N71-Q80 WeakPolarHBondContact CA-O 3.43Å; N71-S82 WeakPolarHBondContact OD1-CB 3.42Å; N71-S82 PolarHBondContact OD1-N 2.89Å; N71-S82 PolarHBondContact OD1-OG 2.99Å; N71-Q89 VanDerWaalsContact ND2-CD 3.35Å; N71-Q89 PolarHBondContact ND2-NE2 2.96Å; N71-Q89 PolarHBondContact ND2-OE1 3.28Å; N71-L118 HydrophobicContact CB-CD2 3.62Å; N71-L118 HydrophobicContact CB-CG 4.29Å; N71-S120 PolarHBondContact N-OG 2.89Å; N71-S120 PolarHBondContact O-N 2.73Å; N71-S120 PolarHBondContact O-OG 3.49Å
72V97.9Very high94Very high2 Ų248.1 Ų48.11%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-132.6121174.1-176.90000109V26 V79 Q80 L118 T241V26-V72 HydrophobicContact CG1-CG1 4.01Å; V72-V79 HydrophobicContact CB-CB 4.28Å; V72-V79 HydrophobicContact CG1-CB 4.11Å; V72-V79 HydrophobicContact CG1-CG1 4.43Å; V72-V79 PolarHBondContact O-N 2.92Å; V72-Q80 HydrophobicContact CB-CB 3.96Å; V72-Q80 HydrophobicContact CG2-CB 4.03Å; V72-Q80 PolarHBondContact N-O 2.84Å; V72-Q80 PolarHBondContact O-N 3.34Å; V72-L118 WeakPolarHBondContact CA-O 3.38Å; V72-T241 HydrophobicContact CG1-CG2 3.91Å; V72-T241 HydrophobicContact CG2-CG2 4.13Å
73V98.3Very high93.6Very high5 Ų552.7 Ų52.73%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-118.5121.8168.4178.50000107.9R77 L78 F115 Q117 L118V73-R77 CarbonylContact C-O 3.55Å; V73-R77 VanDerWaalsContact CA-O 3.26Å; V73-R77 WeakPolarHBondContact CA-O 3.34Å; V73-L78 HydrophobicContact CG2-CD1 3.85Å; V73-F115 HydrophobicContact CB-CB 4.48Å; V73-F115 HydrophobicContact CG1-CB 4.39Å; V73-F115 HydrophobicContact CG2-CB 4.29Å; V73-Q117 WeakPolarHBondContact O-CA 3.44Å; V73-L118 HydrophobicContact CB-CB 3.58Å; V73-L118 HydrophobicContact CG2-CB 3.69Å; V73-L118 HydrophobicContact CG2-CD2 3.96Å; V73-L118 HydrophobicContact CG2-CG 4.48Å; V73-L118 PolarHBondContact N-O 3.14Å; V73-L118 PolarHBondContact O-N 2.91Å
74S97.6Very high92.8Very high13 Ų1352.9 Ų52.99%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-116.9115178.7-177.90000108.9V26 G76 R77V26-S74 VanDerWaalsContact O-CB 3.23Å; V26-S74 WeakPolarHBondContact O-CB 3.37Å; V26-S74 PolarHBondContact O-OG 2.59Å; S74-G76 VanDerWaalsContact C-N 3.26Å; S74-G76 PolarHBondContact O-N 2.71Å; S74-R77 PolarHBondContact N-O 3.19Å; S74-R77 WeakPolarHBondContact O-CB 2.77Å; S74-R77 PolarHBondContact O-N 3.2Å
75S93.6Very high92.5Very high82 Ų8245.8 Ų45.857%0.57327%0.266SS*.THydrogen-bonded Turntrans5243.1179.1-590000113.4R77 V116S75-R77 VanDerWaalsContact C-N 3.27Å; S75-R77 PolarHBondContact O-N 2.92Å; S75-V116 CarbonylContact C-O 3.4Å; S75-V116 WeakPolarHBondContact CA-O 3.28Å; S75-V116 PolarHBondContact N-O 3.16Å; S75-V116 VanDerWaalsContact N-O 3.15Å
76G94.4Very high92.2Very high47 Ų4747.9 Ų47.949%0.48527%0.271SS..THydrogen-bonded Turntrans79.6-3-179.700000115.4S74 V116S74-G76 VanDerWaalsContact C-N 3.26Å; S74-G76 PolarHBondContact O-N 2.71Å; G76-V116 PolarHBondContact N-O 3.44Å
77R95.8Very high92.2Very high122 Ų12246.9 Ų46.946%0.4626%0.264SS..EExtended strand (participates in β ladder)trans-91.7122.6174.2-176.7171.767.7169.25.2110.1E28 V73 S74 S75 V79E28-R77 IonicContact OE1-CZ 3.02Å; E28-R77 IonicContact OE1-NH2 2.74Å; E28-R77 PolarHBondContact OE1-NH2 2.74Å; V73-R77 CarbonylContact C-O 3.55Å; V73-R77 VanDerWaalsContact CA-O 3.26Å; V73-R77 WeakPolarHBondContact CA-O 3.34Å; S74-R77 PolarHBondContact N-O 3.19Å; S74-R77 WeakPolarHBondContact O-CB 2.77Å; S74-R77 PolarHBondContact O-N 3.2Å; S75-R77 VanDerWaalsContact C-N 3.27Å; S75-R77 PolarHBondContact O-N 2.92Å; R77-V79 HydrophobicContact CG-CG2 4.44Å; R77-V79 PolarHBondContact O-N 3.21Å; R77-V79 VanDerWaalsContact O-N 3.16Å
78L96.4Very high92.3Very high73 Ų7344.3 Ų44.338%0.38225%0.252SS..EExtended strand (participates in β ladder)trans-68.4109.1167.4-177.665.4000108.8V73 Q80 V108 L109V73-L78 HydrophobicContact CG2-CD1 3.85Å; L78-Q80 WeakPolarHBondContact CD1-O 3.39Å; L78-V108 HydrophobicContact CD1-CG1 4.22Å; L78-L109 HydrophobicContact CD2-CD2 3.74Å
79V95.4Very high92.4Very high31 Ų3144.2 Ų44.219%0.18825%0.251CS..EExtended strand (participates in β ladder)trans-94-39.7-176.1171.10000111.1E28 C35 V72 R77E28-V79 VanDerWaalsContact CD-CG1 3.41Å; E28-V79 HydrophobicContact CG-CG1 3.83Å; E28-V79 HydrophobicContact CG-CG2 4.13Å; E28-V79 WeakPolarHBondContact OE1-CG2 3.47Å; E28-V79 WeakPolarHBondContact OE2-CG1 3.27Å; C35-V79 HydrophobicContact CB-CG1 3.45Å; C35-V79 VanDerWaalsContact CB-CG1 3.45Å; V72-V79 HydrophobicContact CB-CB 4.28Å; V72-V79 HydrophobicContact CG1-CB 4.11Å; V72-V79 HydrophobicContact CG1-CG1 4.43Å; V72-V79 PolarHBondContact O-N 2.92Å; R77-V79 HydrophobicContact CG-CG2 4.44Å; R77-V79 PolarHBondContact O-N 3.21Å; R77-V79 VanDerWaalsContact O-N 3.16Å
80Q94.6Very high92.6Very high69 Ų6942.6 Ų42.632%0.32224%0.242SC..EExtended strand (participates in β ladder)trans-142135.3-179.9-17870.1-36.400109.4C68 G70 N71 V72 L78C68-Q80 HydrophobicContact CB-CG 4.49Å; C68-Q80 PolarHBondContact O-NE2 3.34Å; G70-Q80 WeakPolarHBondContact O-CG 3.47Å; N71-Q80 WeakPolarHBondContact CA-O 3.43Å; V72-Q80 HydrophobicContact CB-CB 3.96Å; V72-Q80 HydrophobicContact CG2-CB 4.03Å; V72-Q80 PolarHBondContact N-O 2.84Å; V72-Q80 PolarHBondContact O-N 3.34Å; L78-Q80 WeakPolarHBondContact CD1-O 3.39Å
81D91.3Very high92.8Very high44 Ų4442 Ų4224%0.23524%0.237CC..  trans-105.2130.6172.7-177-11.6000108.6K83 Q105D81-K83 PolarHBondContact O-N 2.88Å; D81-K83 PolarHBondContact OD1-N 2.78Å; D81-Q105 PolarHBondContact OD2-NE2 3.04Å
82S86.8Confident92.8Very high14 Ų1441.9 Ų41.910%0.09824%0.236CC..  trans-66.5-10.9176.580.90000113N71 G84 V85N71-S82 WeakPolarHBondContact OD1-CB 3.42Å; N71-S82 PolarHBondContact OD1-N 2.89Å; N71-S82 PolarHBondContact OD1-OG 2.99Å; S82-G84 PolarHBondContact O-N 2.88Å; S82-G84 PolarHBondContact OG-N 3.49Å; S82-V85 VanDerWaalsContact O-CG2 3.25Å; S82-V85 WeakPolarHBondContact O-CG2 3.34Å; S82-V85 PolarHBondContact O-N 2.66Å; S82-V85 PolarHBondContact OG-N 3.26Å; S82-V85 PolarHBondContact OG-O 2.86Å; S82-V85 VanDerWaalsContact OG-O 3.07Å
83K83.6Confident92.8Very high182 Ų18243.3 Ų43.379%0.79124%0.241SC*.THydrogen-bonded Turntrans56.234.2-174.8-57.2-178.5-178.6178.40112.3D81D81-K83 PolarHBondContact O-N 2.88Å; D81-K83 PolarHBondContact OD1-N 2.78Å
84G74.2Confident92.7Very high54 Ų5450.7 Ų50.756%0.55727%0.268SS*.THydrogen-bonded Turntrans87.36.4178.500000114.9S82 Q86S82-G84 PolarHBondContact O-N 2.88Å; S82-G84 PolarHBondContact OG-N 3.49Å; G84-Q86 PolarHBondContact O-N 3.34Å
85V82.3Confident92.5Very high48 Ų4854.7 Ų54.729%0.29129%0.289SS..  trans-64.4127.4169.8179.70000109S82 N87 C141 T144S82-V85 VanDerWaalsContact O-CG2 3.25Å; S82-V85 WeakPolarHBondContact O-CG2 3.34Å; S82-V85 PolarHBondContact O-N 2.66Å; S82-V85 PolarHBondContact OG-N 3.26Å; S82-V85 PolarHBondContact OG-O 2.86Å; S82-V85 VanDerWaalsContact OG-O 3.07Å; V85-N87 WeakPolarHBondContact CG1-OD1 3.26Å; V85-C141 HydrophobicContact CG1-CB 4.3Å; V85-T144 HydrophobicContact CG1-CG2 4.19Å
86Q84.8Confident92.5Very high90 Ų9052.1 Ų52.142%0.42128%0.275SS..  trans-95.6104.7-176.1-172.7170.5-0.100110.5G84 Y102 C141G84-Q86 PolarHBondContact O-N 3.34Å; Q86-Y102 HydrophobicContact CG-CD1 3.95Å; Q86-Y102 HydrophobicContact CG-CG 4.2Å; Q86-C141 PolarHBondContact O-N 3.03Å
87N93.1Very high92.6Very high3 Ų353 Ų532%0.01627%0.271CS..  trans-133.7167.4169.7-67.9102.1000110.4V85 Q89 Y102 G121 E140 T144V85-N87 WeakPolarHBondContact CG1-OD1 3.26Å; N87-Q89 WeakPolarHBondContact O-CG 3.31Å; N87-Y102 WeakPolarHBondContact O-CD1 3.48Å; N87-G121 VanDerWaalsContact CB-O 3.26Å; N87-G121 WeakPolarHBondContact CB-O 3.27Å; N87-E140 PolarHBondContact ND2-OE2 2.89Å; N87-T144 PolarHBondContact ND2-OG1 3.34Å; N87-T144 VanDerWaalsContact ND2-OG1 3.15Å; N87-T144 WeakPolarHBondContact OD1-CG2 3.44Å
88A96.4Very high92.8Very high0 Ų048.8 Ų48.80%026%0.258CS..  trans-63.9132.4175.300000111.2Y102 G121 W124 E140 I203A88-Y102 HydrophobicContact CB-CE1 4.3Å; A88-G121 CarbonylContact O-C 3.55Å; A88-G121 PolarHBondContact O-N 2.99Å; A88-W124 HydrophobicContact CB-CB 3.98Å; A88-E140 PolarHBondContact N-OE2 3.04Å; A88-I203 HydrophobicContact CB-CB 4.01Å; A88-I203 HydrophobicContact CB-CG2 3.67Å
89Q97.8Very high92.9Very high1 Ų146.5 Ų46.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-126.4148.3-177.2-51.9-176.829.200110.7N71 N87 F100 G101 L103 L118N71-Q89 VanDerWaalsContact ND2-CD 3.35Å; N71-Q89 PolarHBondContact ND2-NE2 2.96Å; N71-Q89 PolarHBondContact ND2-OE1 3.28Å; N87-Q89 WeakPolarHBondContact O-CG 3.31Å; Q89-F100 WeakPolarHBondContact O-CA 3.27Å; Q89-G101 PolarHBondContact N-O 2.95Å; Q89-G101 PolarHBondContact O-N 3.37Å; Q89-L103 HydrophobicContact CB-CD1 4.19Å; Q89-L103 HydrophobicContact CB-CG 4.49Å; Q89-L118 HydrophobicContact CB-CD1 4.2Å
90F98.6Very high93Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-122.9129.6169.2160.1-114.1000108.3I92 L98 V99 F100 L118 V119 V163 L171 I203 L243F90-I92 HydrophobicContact CE2-CG1 4.13Å; F90-I92 HydrophobicContact CZ-CD1 4.03Å; F90-I92 HydrophobicContact CZ-CG1 3.71Å; F90-L98 HydrophobicContact CE2-CD2 4.34Å; F90-V99 WeakPolarHBondContact CA-O 3.47Å; F90-F100 HydrophobicContact CB-CD1 4.1Å; F90-F100 HydrophobicContact CB-CE1 3.89Å; F90-F100 HydrophobicContact CD2-CD1 4.02Å; F90-F100 HydrophobicContact CD2-CD2 4.31Å; F90-F100 AromaticContact CD2-CE1 3.36Å; F90-F100 HydrophobicContact CD2-CE1 3.36Å; F90-F100 AromaticContact CD2-CE2 3.68Å; F90-F100 HydrophobicContact CD2-CE2 3.68Å; F90-F100 HydrophobicContact CD2-CG 4.46Å; F90-F100 AromaticContact CD2-CZ 3.18Å; F90-F100 HydrophobicContact CD2-CZ 3.18Å; F90-F100 HydrophobicContact CE2-CE1 4.2Å; F90-F100 AromaticContact CE2-CE2 3.95Å; F90-F100 HydrophobicContact CE2-CE2 3.95Å; F90-F100 AromaticContact CE2-CZ 3.57Å; F90-F100 HydrophobicContact CE2-CZ 3.57Å; F90-F100 HydrophobicContact CG-CD1 4.46Å; F90-F100 AromaticContact CG-CE1 3.84Å; F90-F100 HydrophobicContact CG-CE1 3.84Å; F90-F100 HydrophobicContact CG-CZ 4.08Å; F90-L118 WeakPolarHBondContact O-CA 3.37Å; F90-V119 HydrophobicContact CD1-CG1 4.04Å; F90-V119 PolarHBondContact N-O 2.75Å; F90-V119 PolarHBondContact O-N 2.83Å; F90-V163 HydrophobicContact CB-CG1 3.7Å; F90-V163 HydrophobicContact CD1-CB 4.37Å; F90-V163 HydrophobicContact CD1-CG1 3.71Å; F90-V163 HydrophobicContact CD1-CG2 3.76Å; F90-V163 HydrophobicContact CE1-CG2 3.83Å; F90-V163 HydrophobicContact CG-CG1 3.77Å; F90-V163 HydrophobicContact CG-CG2 4.14Å; F90-V163 HydrophobicContact CZ-CG2 4.26Å; F90-L171 HydrophobicContact CD2-CD1 4.35Å; F90-L171 HydrophobicContact CE1-CD1 4.2Å; F90-L171 HydrophobicContact CE1-CD2 4.13Å; F90-L171 HydrophobicContact CE2-CD1 3.4Å; F90-L171 HydrophobicContact CZ-CD1 3.31Å; F90-L171 HydrophobicContact CZ-CD2 3.74Å; F90-L171 HydrophobicContact CZ-CG 4.19Å; F90-I203 HydrophobicContact CB-CD1 3.65Å; F90-I203 HydrophobicContact CB-CG1 4.02Å; F90-L243 HydrophobicContact CE1-CD2 4.42Å
91G98.4Very high93.1Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-148.1164.4173.800000113.7V99 Q117G91-V99 PolarHBondContact N-O 3.48Å; G91-V99 PolarHBondContact O-N 3.38Å; G91-Q117 CarbonylContact C-O 3.39Å; G91-Q117 WeakPolarHBondContact CA-O 3.48Å
92I98.4Very high93.3Very high0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-119.9124.4175.5-49.8179.1000106.8P20 L21 V24 F90 L98 F115 V116 Q117P20-I92 HydrophobicContact CB-CD1 3.97Å; L21-I92 HydrophobicContact CB-CG2 4.46Å; L21-I92 HydrophobicContact CD1-CG2 3.96Å; V24-I92 HydrophobicContact CB-CD1 4.04Å; V24-I92 HydrophobicContact CG1-CD1 4.24Å; F90-I92 HydrophobicContact CE2-CG1 4.13Å; F90-I92 HydrophobicContact CZ-CD1 4.03Å; F90-I92 HydrophobicContact CZ-CG1 3.71Å; I92-L98 HydrophobicContact CD1-CD2 4.3Å; I92-L98 HydrophobicContact CG1-CD2 3.84Å; I92-L98 HydrophobicContact CG2-CD2 4.28Å; I92-F115 WeakPolarHBondContact O-CA 3.49Å; I92-V116 HydrophobicContact CB-CG2 4.15Å; I92-V116 HydrophobicContact CG2-CG2 4.12Å; I92-V116 VanDerWaalsContact O-CG2 3.24Å; I92-V116 WeakPolarHBondContact O-CG2 3.42Å; I92-V116 PolarHBondContact O-N 2.81Å; I92-Q117 HydrophobicContact CB-CB 4.26Å; I92-Q117 HydrophobicContact CD1-CB 4.38Å; I92-Q117 HydrophobicContact CD1-CG 4.33Å; I92-Q117 HydrophobicContact CG1-CB 4.28Å; I92-Q117 PolarHBondContact N-O 2.91Å; I92-Q117 PolarHBondContact O-N 2.9Å
93R97.7Very high93.6Very high32 Ų3244 Ų4412%0.12123%0.229CC..EExtended strand (participates in β ladder)trans-83164.4174-67.3-171.1174.6-97.60.3111.5D95 G96 T97 V99 D107 D110 N113 P114 F115R93-D95 WeakPolarHBondContact CB-OD1 3.38Å; R93-D95 PolarHBondContact O-N 2.82Å; R93-G96 PolarHBondContact O-N 2.93Å; R93-T97 PolarHBondContact N-O 3.5Å; R93-V99 HydrophobicContact CG-CG2 3.99Å; R93-D107 PolarHBondContact NH2-O 3.43Å; R93-D110 IonicContact NH1-OD2 3.7Å; R93-D110 PolarHBondContact NH1-OD2 3.01Å; R93-N113 WeakPolarHBondContact CD-ND2 3.39Å; R93-N113 PolarHBondContact NH1-O 2.86Å; R93-P114 WeakPolarHBondContact CA-O 3.26Å; R93-F115 HydrophobicContact CG-CD1 4.05Å; R93-F115 HydrophobicContact CG-CE1 3.9Å; R93-F115 HydrophobicContact CG-CZ 4.31Å
94R95.1Very high94.1Very high159 Ų15938 Ų3860%0.621%0.21SC*.THydrogen-bonded Turntrans-56.8-32.2-178-176.9-177.9-70.4173.4-2.9113.4G96 N113 P114 V116R94-G96 VanDerWaalsContact C-N 3.27Å; R94-G96 PolarHBondContact O-N 3.36Å; R94-N113 PolarHBondContact N-OD1 2.8Å; R94-P114 HydrophobicContact CB-CG 4.49Å; R94-P114 PolarHBondContact N-O 2.83Å; R94-V116 HydrophobicContact CB-CG1 4.13Å
95D93.6Very high94.8Very high98 Ų9840 Ų4052%0.52421%0.205SC..THydrogen-bonded Turntrans-81.1-0.2176.469.8-11.7000114.5R93 T97 N113R93-D95 WeakPolarHBondContact CB-OD1 3.38Å; R93-D95 PolarHBondContact O-N 2.82Å; D95-T97 VanDerWaalsContact CG-OG1 3.24Å; D95-T97 VanDerWaalsContact OD1-CB 3.24Å; D95-T97 WeakPolarHBondContact OD1-CB 3.47Å; D95-T97 PolarHBondContact OD1-N 3.41Å; D95-T97 PolarHBondContact OD1-OG1 3.02Å; D95-T97 PolarHBondContact OD2-OG1 3.02Å; D95-T97 VanDerWaalsContact OD2-OG1 3.11Å; D95-N113 PolarHBondContact N-OD1 2.9Å; D95-N113 PolarHBondContact OD1-ND2 3.14Å; D95-N113 PolarHBondContact OD2-ND2 2.87Å
96G93.6Very high95.2Very high27 Ų2746.1 Ų46.128%0.27823%0.228SC..  trans910.6-177.800000114.6R93 R94 L98R93-G96 PolarHBondContact O-N 2.93Å; R94-G96 VanDerWaalsContact C-N 3.27Å; R94-G96 PolarHBondContact O-N 3.36Å; G96-L98 PolarHBondContact O-N 2.93Å
97T97.5Very high95.6Very high65 Ų6544.9 Ų44.940%0.39922%0.224SC..  trans-62.3122.6176.2-58.10000110.5R93 D95 V99R93-T97 PolarHBondContact N-O 3.5Å; D95-T97 VanDerWaalsContact CG-OG1 3.24Å; D95-T97 VanDerWaalsContact OD1-CB 3.24Å; D95-T97 WeakPolarHBondContact OD1-CB 3.47Å; D95-T97 PolarHBondContact OD1-N 3.41Å; D95-T97 PolarHBondContact OD1-OG1 3.02Å; D95-T97 PolarHBondContact OD2-OG1 3.02Å; D95-T97 VanDerWaalsContact OD2-OG1 3.11Å; T97-V99 HydrophobicContact CG2-CG2 4.19Å
98L98.4Very high95.6Very high35 Ų3545.3 Ų45.318%0.18323%0.226CC..EExtended strand (participates in β ladder)trans-80.8130.3170.2-54.8-176.1000109.5P20 F90 I92 G96 F100 H165 L171P20-L98 HydrophobicContact CB-CD2 4.09Å; P20-L98 HydrophobicContact CG-CD2 4.42Å; F90-L98 HydrophobicContact CE2-CD2 4.34Å; I92-L98 HydrophobicContact CD1-CD2 4.3Å; I92-L98 HydrophobicContact CG1-CD2 3.84Å; I92-L98 HydrophobicContact CG2-CD2 4.28Å; G96-L98 PolarHBondContact O-N 2.93Å; L98-F100 HydrophobicContact CB-CE2 3.99Å; L98-H165 HydrophobicContact CD1-CB 3.68Å; L98-L171 HydrophobicContact CD1-CD1 4.28Å
99V98.5Very high95.5Very high25 Ų2549.6 Ų49.615%0.15225%0.249CC..EExtended strand (participates in β ladder)trans-122.9127.7-177.9-173.60000109.2F90 G91 R93 T97 L103 F115F90-V99 WeakPolarHBondContact CA-O 3.47Å; G91-V99 PolarHBondContact N-O 3.48Å; G91-V99 PolarHBondContact O-N 3.38Å; R93-V99 HydrophobicContact CG-CG2 3.99Å; T97-V99 HydrophobicContact CG2-CG2 4.19Å; V99-L103 HydrophobicContact CG1-CD2 3.83Å; V99-F115 HydrophobicContact CB-CE1 3.87Å; V99-F115 HydrophobicContact CB-CZ 4.09Å; V99-F115 HydrophobicContact CG1-CE1 4.43Å; V99-F115 HydrophobicContact CG1-CZ 4.16Å; V99-F115 HydrophobicContact CG2-CE1 3.84Å; V99-F115 HydrophobicContact CG2-CZ 4.06Å
100F98.6Very high95.2Very high23 Ų2351.8 Ų51.810%0.10126%0.261CS..EExtended strand (participates in β ladder)trans-128.4140.5176.3-69.1-94.4000110Q89 F90 L98 W124 V163 H165 L171 N201 I203Q89-F100 WeakPolarHBondContact O-CA 3.27Å; F90-F100 HydrophobicContact CB-CD1 4.1Å; F90-F100 HydrophobicContact CB-CE1 3.89Å; F90-F100 HydrophobicContact CD2-CD1 4.02Å; F90-F100 HydrophobicContact CD2-CD2 4.31Å; F90-F100 AromaticContact CD2-CE1 3.36Å; F90-F100 HydrophobicContact CD2-CE1 3.36Å; F90-F100 AromaticContact CD2-CE2 3.68Å; F90-F100 HydrophobicContact CD2-CE2 3.68Å; F90-F100 HydrophobicContact CD2-CG 4.46Å; F90-F100 AromaticContact CD2-CZ 3.18Å; F90-F100 HydrophobicContact CD2-CZ 3.18Å; F90-F100 HydrophobicContact CE2-CE1 4.2Å; F90-F100 AromaticContact CE2-CE2 3.95Å; F90-F100 HydrophobicContact CE2-CE2 3.95Å; F90-F100 AromaticContact CE2-CZ 3.57Å; F90-F100 HydrophobicContact CE2-CZ 3.57Å; F90-F100 HydrophobicContact CG-CD1 4.46Å; F90-F100 AromaticContact CG-CE1 3.84Å; F90-F100 HydrophobicContact CG-CE1 3.84Å; F90-F100 HydrophobicContact CG-CZ 4.08Å; L98-F100 HydrophobicContact CB-CE2 3.99Å; F100-W124 HydrophobicContact CB-CZ2 4.49Å; F100-V163 HydrophobicContact CE1-CG1 4.48Å; F100-V163 WeakPolarHBondContact CE1-O 3.49Å; F100-H165 AromaticContact CD2-CD2 3.5Å; F100-H165 HydrophobicContact CE2-CB 4.15Å; F100-H165 AromaticContact CE2-CD2 3.21Å; F100-H165 WeakPolarHBondContact CE2-CD2 3.32Å; F100-H165 AromaticContact CE2-CG 3.96Å; F100-H165 HydrophobicContact CZ-CB 4.4Å; F100-H165 AromaticContact CZ-CD2 3.97Å; F100-L171 HydrophobicContact CZ-CD1 4.1Å; F100-N201 HydrophobicContact CB-CB 3.79Å; F100-N201 HydrophobicContact CD1-CB 4.41Å; F100-N201 HydrophobicContact CD2-CB 4.02Å; F100-N201 HydrophobicContact CG-CB 3.82Å; F100-I203 HydrophobicContact CD1-CG2 4.17Å
101G96.6Very high95.1Very high2 Ų260 Ų602%0.02130%0.299CS..EExtended strand (participates in β ladder)trans122.7-147.1171.600000113.8Q89 W124Q89-G101 PolarHBondContact N-O 2.95Å; Q89-G101 PolarHBondContact O-N 3.37Å; G101-W124 VanDerWaalsContact CA-CE3 3.46Å; G101-W124 VanDerWaalsContact CA-CZ3 3.44Å
102Y95.8Very high95Very high50 Ų5065 Ų6520%0.19633%0.334CS..  trans-97.3125.5-176.1-54.1-56000110.9Q86 N87 A88 W124 Y132 S136 A139 E140Q86-Y102 HydrophobicContact CG-CD1 3.95Å; Q86-Y102 HydrophobicContact CG-CG 4.2Å; N87-Y102 WeakPolarHBondContact O-CD1 3.48Å; A88-Y102 HydrophobicContact CB-CE1 4.3Å; Y102-W124 HydrophobicContact CD2-CE3 4.18Å; Y102-W124 HydrophobicContact CD2-CZ3 4.38Å; Y102-W124 AromaticContact CE2-CE3 3.89Å; Y102-W124 HydrophobicContact CE2-CE3 3.89Å; Y102-W124 HydrophobicContact CE2-CZ3 4.46Å; Y102-Y132 HydrophobicContact CE2-CE1 4.31Å; Y102-S136 VanDerWaalsContact OH-CA 3.31Å; Y102-S136 WeakPolarHBondContact OH-CA 3.45Å; Y102-S136 WeakPolarHBondContact OH-CB 3.46Å; Y102-S136 PolarHBondContact OH-OG 3.42Å; Y102-A139 HydrophobicContact CD2-CB 4.47Å; Y102-A139 HydrophobicContact CE2-CB 3.73Å; Y102-E140 HydrophobicContact CE1-CG 3.6Å; Y102-E140 WeakPolarHBondContact CE1-OE1 3.45Å; Y102-E140 PolarHBondContact OH-OE1 3.41Å
103L93.8Very high94.9Very high29 Ų2966.4 Ų66.415%0.15234%0.342CS..  trans-113134.8-179-60.2178.8000110.2Q89 V99 D107 V108 F115 L118Q89-L103 HydrophobicContact CB-CD1 4.19Å; Q89-L103 HydrophobicContact CB-CG 4.49Å; V99-L103 HydrophobicContact CG1-CD2 3.83Å; L103-D107 HydrophobicContact CB-CB 4.3Å; L103-D107 HydrophobicContact CD2-CB 4.25Å; L103-V108 HydrophobicContact CB-CG2 3.95Å; L103-V108 HydrophobicContact CD1-CG2 4.33Å; L103-F115 HydrophobicContact CD1-CE1 4.4Å; L103-F115 HydrophobicContact CD1-CE2 3.83Å; L103-F115 HydrophobicContact CD1-CZ 3.53Å; L103-F115 HydrophobicContact CD2-CZ 4.48Å; L103-L118 HydrophobicContact CD1-CD1 3.88Å
104S92.1Very high94.9Very high56 Ų5666.1 Ų66.139%0.39234%0.344SS..  trans-75161.516874.10000110.4K106 D107 V108S104-K106 PolarHBondContact O-N 3.11Å; S104-K106 PolarHBondContact OG-N 3.15Å; S104-D107 VanDerWaalsContact CB-OD2 3.29Å; S104-D107 WeakPolarHBondContact CB-OD2 3.33Å; S104-D107 PolarHBondContact N-OD2 3.07Å; S104-D107 WeakPolarHBondContact O-CB 3.14Å; S104-D107 PolarHBondContact O-N 3.28Å; S104-D107 PolarHBondContact OG-N 2.95Å; S104-D107 PolarHBondContact OG-OD2 3.28Å; S104-V108 PolarHBondContact O-N 2.92Å; S104-V108 VanDerWaalsContact O-N 3.16Å
105Q90.3Very high95Very high98 Ų9858.8 Ų58.846%0.45832%0.316SS..Hα-helixtrans-58.3-32.7174.7-164.9177.424.200111.8D81 V108 L109D81-Q105 PolarHBondContact OD2-NE2 3.04Å; Q105-V108 PolarHBondContact O-N 3.15Å; Q105-L109 HydrophobicContact CG-CD1 3.9Å; Q105-L109 HydrophobicContact CG-CG 4.42Å; Q105-L109 WeakPolarHBondContact O-CB 3.47Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.5Å; Q105-L109 PolarHBondContact O-N 2.93Å; Q105-L109 VanDerWaalsContact O-N 3.08Å
106K90.8Very high95.2Very high176 Ų17655.6 Ų55.677%0.76530%0.3SS*.Hα-helixtrans-65.1-38.7175-175.6-177.9175.4-1750112S104 L109 D110S104-K106 PolarHBondContact O-N 3.11Å; S104-K106 PolarHBondContact OG-N 3.15Å; K106-L109 PolarHBondContact O-N 3.2Å; K106-D110 PolarHBondContact O-N 3.04Å; K106-D110 VanDerWaalsContact O-N 3.17Å
107D92.9Very high95.4Very high63 Ų6354.9 Ų54.934%0.33729%0.289SS..Hα-helixtrans-69.1-37-180-57.1-45.1000111.8R93 L103 S104R93-D107 PolarHBondContact NH2-O 3.43Å; L103-D107 HydrophobicContact CB-CB 4.3Å; L103-D107 HydrophobicContact CD2-CB 4.25Å; S104-D107 VanDerWaalsContact CB-OD2 3.29Å; S104-D107 WeakPolarHBondContact CB-OD2 3.33Å; S104-D107 PolarHBondContact N-OD2 3.07Å; S104-D107 WeakPolarHBondContact O-CB 3.14Å; S104-D107 PolarHBondContact O-N 3.28Å; S104-D107 PolarHBondContact OG-N 2.95Å; S104-D107 PolarHBondContact OG-OD2 3.28Å
108V93.4Very high95.4Very high12 Ų1251.8 Ų51.87%0.07327%0.27CS..Hα-helixtrans-68.4-38.2177.21770000111.2L78 L103 S104 Q105 D110 L118L78-V108 HydrophobicContact CD1-CG1 4.22Å; L103-V108 HydrophobicContact CB-CG2 3.95Å; L103-V108 HydrophobicContact CD1-CG2 4.33Å; S104-V108 PolarHBondContact O-N 2.92Å; S104-V108 VanDerWaalsContact O-N 3.16Å; Q105-V108 PolarHBondContact O-N 3.15Å; V108-D110 VanDerWaalsContact C-N 3.35Å; V108-L118 HydrophobicContact CG1-CD2 3.95Å; V108-L118 HydrophobicContact CG2-CD2 4.22Å
109L93.2Very high95.4Very high90 Ų9050.1 Ų50.147%0.47126%0.262SS..THydrogen-bonded Turntrans-89.75.9-177.7-62.2177.5000114.1L78 Q105 K106 Q111L78-L109 HydrophobicContact CD2-CD2 3.74Å; Q105-L109 HydrophobicContact CG-CD1 3.9Å; Q105-L109 HydrophobicContact CG-CG 4.42Å; Q105-L109 WeakPolarHBondContact O-CB 3.47Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.5Å; Q105-L109 PolarHBondContact O-N 2.93Å; Q105-L109 VanDerWaalsContact O-N 3.08Å; K106-L109 PolarHBondContact O-N 3.2Å; L109-Q111 PolarHBondContact O-N 2.91Å
110D93.1Very high95.4Very high48 Ų4849.1 Ų49.126%0.25726%0.256SS..  trans-61.2121.4178.4172.128.5000111.4R93 K106 V108 S112 P114R93-D110 IonicContact NH1-OD2 3.7Å; R93-D110 PolarHBondContact NH1-OD2 3.01Å; K106-D110 PolarHBondContact O-N 3.04Å; K106-D110 VanDerWaalsContact O-N 3.17Å; V108-D110 VanDerWaalsContact C-N 3.35Å; D110-S112 WeakPolarHBondContact OD1-CB 3.45Å; D110-S112 PolarHBondContact OD1-N 2.94Å; D110-S112 PolarHBondContact OD1-OG 2.99Å; D110-S112 PolarHBondContact OD2-OG 3.37Å; D110-P114 WeakPolarHBondContact O-CA 3.42Å; D110-P114 WeakPolarHBondContact O-CB 3.25Å
111Q95.1Very high95.3Very high173 Ų17348.1 Ų48.181%0.80825%0.252SS*.SBendtrans-92.9-11.6-179-63.4-171.8-3.300113.7L109L109-Q111 PolarHBondContact O-N 2.91Å
112S96.3Very high95.3Very high103 Ų10348.1 Ų48.172%0.7225%0.252SS*.SBendtrans-72.1-45.8-177.667.10000111.6D110D110-S112 WeakPolarHBondContact OD1-CB 3.45Å; D110-S112 PolarHBondContact OD1-N 2.94Å; D110-S112 PolarHBondContact OD1-OG 2.99Å; D110-S112 PolarHBondContact OD2-OG 3.37Å
113N95.9Very high95.4Very high31 Ų3145.7 Ų45.717%0.16624%0.242CC..SBendtrans-135.372.3172.4-177.220.6000109.5R93 R94 D95R93-N113 WeakPolarHBondContact CD-ND2 3.39Å; R93-N113 PolarHBondContact NH1-O 2.86Å; R94-N113 PolarHBondContact N-OD1 2.8Å; D95-N113 PolarHBondContact N-OD1 2.9Å; D95-N113 PolarHBondContact OD1-ND2 3.14Å; D95-N113 PolarHBondContact OD2-ND2 2.87Å
114P97.6Very high95.6Very high25 Ų2545.1 Ų45.116%0.16224%0.238CC..  trans-67.5157-168.928.2-34.3000112R93 R94 D110 V116R93-P114 WeakPolarHBondContact CA-O 3.26Å; R94-P114 HydrophobicContact CB-CG 4.49Å; R94-P114 PolarHBondContact N-O 2.83Å; D110-P114 WeakPolarHBondContact O-CA 3.42Å; D110-P114 WeakPolarHBondContact O-CB 3.25Å; P114-V116 PolarHBondContact O-N 3.35Å
115F98.1Very high95.9Very high5 Ų542.5 Ų42.52%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-63.3133.1167.7-74.3-76.8000110.7V73 I92 R93 V99 L103 L118V73-F115 HydrophobicContact CB-CB 4.48Å; V73-F115 HydrophobicContact CG1-CB 4.39Å; V73-F115 HydrophobicContact CG2-CB 4.29Å; I92-F115 WeakPolarHBondContact O-CA 3.49Å; R93-F115 HydrophobicContact CG-CD1 4.05Å; R93-F115 HydrophobicContact CG-CE1 3.9Å; R93-F115 HydrophobicContact CG-CZ 4.31Å; V99-F115 HydrophobicContact CB-CE1 3.87Å; V99-F115 HydrophobicContact CB-CZ 4.09Å; V99-F115 HydrophobicContact CG1-CE1 4.43Å; V99-F115 HydrophobicContact CG1-CZ 4.16Å; V99-F115 HydrophobicContact CG2-CE1 3.84Å; V99-F115 HydrophobicContact CG2-CZ 4.06Å; L103-F115 HydrophobicContact CD1-CE1 4.4Å; L103-F115 HydrophobicContact CD1-CE2 3.83Å; L103-F115 HydrophobicContact CD1-CZ 3.53Å; L103-F115 HydrophobicContact CD2-CZ 4.48Å; F115-L118 HydrophobicContact CB-CB 4.37Å; F115-L118 HydrophobicContact CD1-CD1 4.16Å; F115-L118 HydrophobicContact CD2-CD2 4.44Å; F115-L118 HydrophobicContact CE1-CD1 4.14Å; F115-L118 HydrophobicContact CG-CB 4.45Å; F115-L118 HydrophobicContact CG-CD1 4.46Å; F115-L118 HydrophobicContact CZ-CD1 4.42Å
116V97.1Very high96.3Very high31 Ų3137.8 Ų37.819%0.18820%0.198CC..EExtended strand (participates in β ladder)trans-97.2-28.7167.9-670000111.2L21 S75 G76 I92 R94 P114L21-V116 HydrophobicContact CD1-CG2 3.88Å; S75-V116 CarbonylContact C-O 3.4Å; S75-V116 WeakPolarHBondContact CA-O 3.28Å; S75-V116 PolarHBondContact N-O 3.16Å; S75-V116 VanDerWaalsContact N-O 3.15Å; G76-V116 PolarHBondContact N-O 3.44Å; I92-V116 HydrophobicContact CB-CG2 4.15Å; I92-V116 HydrophobicContact CG2-CG2 4.12Å; I92-V116 VanDerWaalsContact O-CG2 3.24Å; I92-V116 WeakPolarHBondContact O-CG2 3.42Å; I92-V116 PolarHBondContact O-N 2.81Å; R94-V116 HydrophobicContact CB-CG1 4.13Å; P114-V116 PolarHBondContact O-N 3.35Å
117Q98.3Very high96.7Very high12 Ų1234.2 Ų34.26%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-136.7137.5172.8-52.4-60.2-13.300108.4V24 S25 V26 V73 G91 I92V24-Q117 WeakPolarHBondContact O-CG 3.45Å; V24-Q117 PolarHBondContact O-NE2 2.79Å; S25-Q117 PolarHBondContact OG-NE2 3.36Å; V26-Q117 HydrophobicContact CG2-CB 4.1Å; V73-Q117 WeakPolarHBondContact O-CA 3.44Å; G91-Q117 CarbonylContact C-O 3.39Å; G91-Q117 WeakPolarHBondContact CA-O 3.48Å; I92-Q117 HydrophobicContact CB-CB 4.26Å; I92-Q117 HydrophobicContact CD1-CB 4.38Å; I92-Q117 HydrophobicContact CD1-CG 4.33Å; I92-Q117 HydrophobicContact CG1-CB 4.28Å; I92-Q117 PolarHBondContact N-O 2.91Å; I92-Q117 PolarHBondContact O-N 2.9Å
118L98.4Very high96.9Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-153.4133.1174.6-174.667.6000109.3N71 V72 V73 Q89 F90 L103 V108 F115N71-L118 HydrophobicContact CB-CD2 3.62Å; N71-L118 HydrophobicContact CB-CG 4.29Å; V72-L118 WeakPolarHBondContact CA-O 3.38Å; V73-L118 HydrophobicContact CB-CB 3.58Å; V73-L118 HydrophobicContact CG2-CB 3.69Å; V73-L118 HydrophobicContact CG2-CD2 3.96Å; V73-L118 HydrophobicContact CG2-CG 4.48Å; V73-L118 PolarHBondContact N-O 3.14Å; V73-L118 PolarHBondContact O-N 2.91Å; Q89-L118 HydrophobicContact CB-CD1 4.2Å; F90-L118 WeakPolarHBondContact O-CA 3.37Å; L103-L118 HydrophobicContact CD1-CD1 3.88Å; V108-L118 HydrophobicContact CG1-CD2 3.95Å; V108-L118 HydrophobicContact CG2-CD2 4.22Å; F115-L118 HydrophobicContact CB-CB 4.37Å; F115-L118 HydrophobicContact CD1-CD1 4.16Å; F115-L118 HydrophobicContact CD2-CD2 4.44Å; F115-L118 HydrophobicContact CE1-CD1 4.14Å; F115-L118 HydrophobicContact CG-CB 4.45Å; F115-L118 HydrophobicContact CG-CD1 4.46Å; F115-L118 HydrophobicContact CZ-CD1 4.42Å
119V98.3Very high97Very high0 Ų040.1 Ų40.10%020%0.203CC..EExtended strand (participates in β ladder)trans-140.5141.7172.465.30000109.6V26 F90 L205 L243V26-V119 HydrophobicContact CG1-CB 4.25Å; V26-V119 HydrophobicContact CG2-CB 4.02Å; V26-V119 HydrophobicContact CG2-CG1 4.27Å; F90-V119 HydrophobicContact CD1-CG1 4.04Å; F90-V119 PolarHBondContact N-O 2.75Å; F90-V119 PolarHBondContact O-N 2.83Å; V119-L205 HydrophobicContact CG1-CD2 4.33Å; V119-L243 HydrophobicContact CG1-CD2 4.21Å
120S97.5Very high97.2Very high5 Ų543.2 Ų43.24%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-97.6134.2177-56.70000110.6G59 N71G59-S120 VanDerWaalsContact CA-O 3.3Å; G59-S120 WeakPolarHBondContact CA-O 3.14Å; N71-S120 PolarHBondContact N-OG 2.89Å; N71-S120 PolarHBondContact O-N 2.73Å; N71-S120 PolarHBondContact O-OG 3.49Å
121G96.8Very high97.5Very high2 Ų243.6 Ų43.62%0.02121%0.214CC..  trans-112.1-157.8169.800000110.8N87 A88 N204N87-G121 VanDerWaalsContact CB-O 3.26Å; N87-G121 WeakPolarHBondContact CB-O 3.27Å; A88-G121 CarbonylContact O-C 3.55Å; A88-G121 PolarHBondContact O-N 2.99Å; G121-N204 CarbonylContact C-O 3.58Å; G121-N204 WeakPolarHBondContact CA-O 2.76Å
122V95.9Very high97.7Very high1 Ų137.5 Ų37.51%0.00618%0.184CC..SBendtrans-144.1134.7174.1-179.20000107.8F60 E140 T144 E145 L150 F153 N204F60-V122 HydrophobicContact CD2-CG2 3.75Å; F60-V122 HydrophobicContact CE2-CB 3.94Å; F60-V122 HydrophobicContact CE2-CG2 3.68Å; F60-V122 HydrophobicContact CG-CG2 4.41Å; F60-V122 HydrophobicContact CZ-CB 4.32Å; F60-V122 HydrophobicContact CZ-CG2 4.28Å; V122-E140 WeakPolarHBondContact CA-OE2 3.19Å; V122-T144 VanDerWaalsContact CG2-OG1 3.29Å; V122-T144 WeakPolarHBondContact CG2-OG1 3.25Å; V122-E145 HydrophobicContact CB-CG 4.19Å; V122-E145 WeakPolarHBondContact CB-OE1 3.33Å; V122-E145 HydrophobicContact CG1-CG 3.81Å; V122-E145 HydrophobicContact CG2-CG 4.05Å; V122-E145 WeakPolarHBondContact CG2-OE1 3.49Å; V122-L150 HydrophobicContact CG1-CD1 3.82Å; V122-F153 HydrophobicContact CG1-CE1 4.34Å; V122-N204 PolarHBondContact N-O 3.42Å; V122-N204 VanDerWaalsContact O-CB 3.24Å; V122-N204 WeakPolarHBondContact O-CB 3.42Å; V122-N204 PolarHBondContact O-ND2 2.84Å
123I97.8Very high97.7Very high0 Ų032.6 Ų32.60%015%0.15CC..SBendtrans71.2116.9-168.7-53.9-56.6000113.2L125 I133 E140 L150 F153 V154 L187 N204I123-L125 HydrophobicContact CG2-CD2 4.11Å; I123-L125 PolarHBondContact O-N 3.31Å; I123-I133 HydrophobicContact CG2-CB 4.38Å; I123-I133 HydrophobicContact CG2-CG1 3.94Å; I123-I133 HydrophobicContact CG2-CG2 4.26Å; I123-E140 WeakPolarHBondContact CA-OE1 3.43Å; I123-E140 PolarHBondContact N-OE1 3.17Å; I123-E140 VanDerWaalsContact N-OE1 3.07Å; I123-E140 PolarHBondContact N-OE2 3.06Å; I123-L150 HydrophobicContact CD1-CD1 4.1Å; I123-L150 HydrophobicContact CD1-CD2 4.26Å; I123-L150 HydrophobicContact CD1-CG 4.22Å; I123-F153 HydrophobicContact CG1-CD1 4.48Å; I123-F153 HydrophobicContact CG1-CE1 4.28Å; I123-V154 HydrophobicContact CD1-CG2 3.91Å; I123-V154 HydrophobicContact CG1-CG2 3.86Å; I123-L187 HydrophobicContact CB-CD1 3.88Å; I123-L187 HydrophobicContact CG1-CD1 3.78Å; I123-L187 HydrophobicContact CG2-CD1 4.04Å; I123-N204 PolarHBondContact O-N 3.29Å
124W98.3Very high97.7Very high17 Ų1735.5 Ų35.56%0.06417%0.165CC..EExtended strand (participates in β ladder)trans-79.8104.7165.3-168.6-4.7000109.1A88 F100 G101 Y102 L126 R127 Y132 S136 E140 I203A88-W124 HydrophobicContact CB-CB 3.98Å; F100-W124 HydrophobicContact CB-CZ2 4.49Å; G101-W124 VanDerWaalsContact CA-CE3 3.46Å; G101-W124 VanDerWaalsContact CA-CZ3 3.44Å; Y102-W124 HydrophobicContact CD2-CE3 4.18Å; Y102-W124 HydrophobicContact CD2-CZ3 4.38Å; Y102-W124 AromaticContact CE2-CE3 3.89Å; Y102-W124 HydrophobicContact CE2-CE3 3.89Å; Y102-W124 HydrophobicContact CE2-CZ3 4.46Å; W124-L126 PolarHBondContact NE1-O 3.25Å; W124-R127 HydrophobicContact CD2-CB 4.43Å; W124-R127 HydrophobicContact CH2-CB 4.36Å; W124-R127 HydrophobicContact CH2-CG 3.77Å; W124-R127 HydrophobicContact CZ2-CB 3.8Å; W124-R127 HydrophobicContact CZ2-CG 3.54Å; W124-R127 HydrophobicContact CZ3-CG 4.48Å; W124-Y132 HydrophobicContact CB-CD1 4.12Å; W124-Y132 HydrophobicContact CD2-CD1 4.02Å; W124-Y132 HydrophobicContact CD2-CE1 4.39Å; W124-Y132 AromaticContact CE3-CD1 3.91Å; W124-Y132 HydrophobicContact CE3-CD1 3.91Å; W124-Y132 AromaticContact CE3-CE1 3.81Å; W124-Y132 HydrophobicContact CE3-CE1 3.81Å; W124-Y132 HydrophobicContact CG-CD1 4.11Å; W124-Y132 HydrophobicContact CZ3-CE1 4.32Å; W124-Y132 CarbonylContact O-C 3.55Å; W124-S136 WeakPolarHBondContact CA-OG 3.33Å; W124-S136 WeakPolarHBondContact CB-OG 3.37Å; W124-S136 PolarHBondContact N-OG 2.89Å; W124-S136 PolarHBondContact O-OG 3.15Å; W124-E140 PolarHBondContact N-OE1 3.18Å; W124-I203 HydrophobicContact CG-CG2 4.34Å
125L98.7Very high97.6Very high0 Ų038 Ų380%018%0.175CC..EExtended strand (participates in β ladder)trans-71-51.6-172.8-63.9170.7000112.3I123 I131 Y132 I133 A162 L187 V190 A191 L194 A202 N204I123-L125 HydrophobicContact CG2-CD2 4.11Å; I123-L125 PolarHBondContact O-N 3.31Å; L125-I131 WeakPolarHBondContact O-CA 3.44Å; L125-Y132 PolarHBondContact O-N 2.98Å; L125-I133 HydrophobicContact CD2-CD1 4.27Å; L125-I133 HydrophobicContact CD2-CG1 4.36Å; L125-A162 HydrophobicContact CD1-CB 3.84Å; L125-L187 HydrophobicContact CD2-CB 3.98Å; L125-L187 HydrophobicContact CD2-CD1 4.46Å; L125-L187 HydrophobicContact CD2-CD2 4.31Å; L125-L187 HydrophobicContact CD2-CG 4.48Å; L125-V190 HydrophobicContact CD1-CG1 3.93Å; L125-A191 HydrophobicContact CB-CB 4.15Å; L125-A191 HydrophobicContact CD2-CB 4.37Å; L125-L194 HydrophobicContact CD1-CD1 3.96Å; L125-A202 WeakPolarHBondContact CA-O 3.32Å; L125-A202 HydrophobicContact CB-CB 4.37Å; L125-A202 WeakPolarHBondContact CB-O 3.42Å; L125-A202 PolarHBondContact N-O 3.02Å; L125-N204 HydrophobicContact CD1-CB 3.9Å; L125-N204 HydrophobicContact CD2-CB 4.01Å; L125-N204 HydrophobicContact CG-CB 3.91Å
126L98.8Very high97.5Very high0 Ų037.8 Ų37.80%017%0.174CC..EExtended strand (participates in β ladder)trans-129.5129.5-175.5-65.7175.4000110.6W124 K130 I131 A191 L194 K195 V199 N201 A202W124-L126 PolarHBondContact NE1-O 3.25Å; L126-K130 CarbonylContact C-O 3.44Å; L126-K130 VanDerWaalsContact CA-O 3.29Å; L126-K130 WeakPolarHBondContact CA-O 3.35Å; L126-I131 HydrophobicContact CD2-CG1 3.98Å; L126-A191 HydrophobicContact CD2-CB 4.23Å; L126-L194 HydrophobicContact CD1-CB 3.66Å; L126-K195 HydrophobicContact CD1-CB 4.07Å; L126-K195 HydrophobicContact CD2-CB 3.9Å; L126-V199 HydrophobicContact CD1-CB 4.03Å; L126-V199 HydrophobicContact CD1-CG1 4.11Å; L126-N201 WeakPolarHBondContact O-CA 3.33Å; L126-A202 HydrophobicContact CB-CB 4.29Å; L126-A202 HydrophobicContact CD1-CB 4.4Å; L126-A202 PolarHBondContact N-O 2.63Å; L126-A202 VanDerWaalsContact N-O 3.13Å; L126-A202 PolarHBondContact O-N 3.05Å; L126-A202 VanDerWaalsContact O-N 3.07Å
127R98.4Very high97.3Very high100 Ų10038.3 Ų38.338%0.37718%0.175SC..EExtended strand (participates in β ladder)trans-123.9118.8169.8-177.7177-178.7177.64.2109.2W124 R129 K130 Y132 N201W124-R127 HydrophobicContact CD2-CB 4.43Å; W124-R127 HydrophobicContact CH2-CB 4.36Å; W124-R127 HydrophobicContact CH2-CG 3.77Å; W124-R127 HydrophobicContact CZ2-CB 3.8Å; W124-R127 HydrophobicContact CZ2-CG 3.54Å; W124-R127 HydrophobicContact CZ3-CG 4.48Å; R127-R129 VanDerWaalsContact C-N 3.3Å; R127-R129 PolarHBondContact O-N 2.74Å; R127-K130 PolarHBondContact N-O 3.27Å; R127-K130 WeakPolarHBondContact O-CB 3.42Å; R127-K130 PolarHBondContact O-N 3.22Å; R127-Y132 HydrophobicContact CB-CD1 4.36Å; R127-Y132 HydrophobicContact CB-CD2 3.81Å; R127-Y132 HydrophobicContact CB-CE2 4.44Å; R127-Y132 HydrophobicContact CB-CG 3.76Å; R127-Y132 HydrophobicContact CG-CD2 4.49Å; R127-Y132 PolarHBondContact NH1-OH 3.45Å; R127-N201 VanDerWaalsContact CA-OD1 3.31Å; R127-N201 WeakPolarHBondContact CA-OD1 3.1Å
128D97.4Very high96.9Very high102 Ų10246 Ų4655%0.54521%0.211SC..THydrogen-bonded Turntrans49.849.3179.6-55-45.3000112.6K130 V200 N201D128-K130 PolarHBondContact O-N 2.79Å; D128-V200 PolarHBondContact N-O 3.46Å; D128-N201 PolarHBondContact N-OD1 2.78Å
129R96.4Very high96.5Very high98 Ų9847.5 Ų47.537%0.3722%0.224SC..THydrogen-bonded Turntrans64.611.5-177.5-60.8179.6154.1-179-6.6115.8R127 E167 K195 V200R127-R129 VanDerWaalsContact C-N 3.3Å; R127-R129 PolarHBondContact O-N 2.74Å; R129-E167 IonicContact CZ-OE1 2.83Å; R129-E167 IonicContact CZ-OE2 2.67Å; R129-E167 VanDerWaalsContact CZ-OE2 3.27Å; R129-E167 IonicContact NE-OE1 3.2Å; R129-E167 IonicContact NH1-OE1 2.73Å; R129-E167 PolarHBondContact NH1-OE1 2.98Å; R129-E167 IonicContact NH1-OE2 3.25Å; R129-E167 PolarHBondContact NH1-OE2 2.7Å; R129-E167 IonicContact NH2-OE1 2.74Å; R129-E167 PolarHBondContact NH2-OE1 2.94Å; R129-E167 IonicContact NH2-OE2 3.2Å; R129-E167 PolarHBondContact NH2-OE2 3.19Å; R129-K195 WeakPolarHBondContact O-CD 3.3Å; R129-K195 WeakPolarHBondContact O-CE 3.46Å; R129-V200 HydrophobicContact CG-CB 4.34Å; R129-V200 HydrophobicContact CG-CG1 4.35Å; R129-V200 HydrophobicContact CG-CG2 4.15Å; R129-V200 PolarHBondContact N-O 2.8Å
130K98.1Very high96Very high154 Ų15448.2 Ų48.267%0.6723%0.227SC*.EExtended strand (participates in β ladder)trans-110.2139.2176.2-62.7177.9-177.4175.10110.2L126 R127 D128 Y132L126-K130 CarbonylContact C-O 3.44Å; L126-K130 VanDerWaalsContact CA-O 3.29Å; L126-K130 WeakPolarHBondContact CA-O 3.35Å; R127-K130 PolarHBondContact N-O 3.27Å; R127-K130 WeakPolarHBondContact O-CB 3.42Å; R127-K130 PolarHBondContact O-N 3.22Å; D128-K130 PolarHBondContact O-N 2.79Å; K130-Y132 PolarHBondContact O-N 3.33Å
131I98.5Very high94.8Very high56 Ų5650.5 Ų50.529%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-62.1126.4172.1-60.2177.2000108.2L125 L126 I133 W188 A191 E192 K195L125-I131 WeakPolarHBondContact O-CA 3.44Å; L126-I131 HydrophobicContact CD2-CG1 3.98Å; I131-I133 HydrophobicContact CG2-CB 4.27Å; I131-I133 HydrophobicContact CG2-CD1 3.92Å; I131-I133 HydrophobicContact CG2-CG1 3.93Å; I131-W188 HydrophobicContact CG2-CE3 4.08Å; I131-W188 HydrophobicContact CG2-CZ3 3.94Å; I131-A191 HydrophobicContact CD1-CB 4.42Å; I131-A191 HydrophobicContact CG1-CB 4.07Å; I131-A191 HydrophobicContact CG2-CB 4.11Å; I131-E192 HydrophobicContact CD1-CB 4.31Å; I131-K195 HydrophobicContact CG1-CD 4.44Å
132Y98.3Very high93.4Very high45 Ų4554 Ų5418%0.17627%0.267CS..  trans-121.719-171-158.5-104.5000112.9Y102 W124 L125 R127 K130 E135 S136Y102-Y132 HydrophobicContact CE2-CE1 4.31Å; W124-Y132 HydrophobicContact CB-CD1 4.12Å; W124-Y132 HydrophobicContact CD2-CD1 4.02Å; W124-Y132 HydrophobicContact CD2-CE1 4.39Å; W124-Y132 AromaticContact CE3-CD1 3.91Å; W124-Y132 HydrophobicContact CE3-CD1 3.91Å; W124-Y132 AromaticContact CE3-CE1 3.81Å; W124-Y132 HydrophobicContact CE3-CE1 3.81Å; W124-Y132 HydrophobicContact CG-CD1 4.11Å; W124-Y132 HydrophobicContact CZ3-CE1 4.32Å; W124-Y132 CarbonylContact O-C 3.55Å; L125-Y132 PolarHBondContact O-N 2.98Å; R127-Y132 HydrophobicContact CB-CD1 4.36Å; R127-Y132 HydrophobicContact CB-CD2 3.81Å; R127-Y132 HydrophobicContact CB-CE2 4.44Å; R127-Y132 HydrophobicContact CB-CG 3.76Å; R127-Y132 HydrophobicContact CG-CD2 4.49Å; R127-Y132 PolarHBondContact NH1-OH 3.45Å; K130-Y132 PolarHBondContact O-N 3.33Å; Y132-E135 WeakPolarHBondContact CA-OE2 3.32Å; Y132-E135 HydrophobicContact CD1-CB 3.85Å; Y132-E135 HydrophobicContact CD2-CB 3.97Å; Y132-E135 HydrophobicContact CD2-CG 3.92Å; Y132-E135 HydrophobicContact CE1-CB 3.48Å; Y132-E135 VanDerWaalsContact CE1-CB 3.48Å; Y132-E135 HydrophobicContact CE1-CG 4.34Å; Y132-E135 HydrophobicContact CE2-CB 3.64Å; Y132-E135 HydrophobicContact CE2-CG 3.53Å; Y132-E135 HydrophobicContact CG-CB 4.08Å; Y132-E135 HydrophobicContact CG-CG 4.48Å; Y132-S136 WeakPolarHBondContact O-CB 3.31Å; Y132-S136 PolarHBondContact O-N 3.48Å; Y132-S136 PolarHBondContact O-OG 3.21Å
133I97.7Very high92Very high0 Ų062.2 Ų62.20%031%0.305CS..Hα-helixtrans-67.2-38-175.2-64.3172.8000111.7I123 L125 I131 S136 L137 V154 L187 W188 A191I123-I133 HydrophobicContact CG2-CB 4.38Å; I123-I133 HydrophobicContact CG2-CG1 3.94Å; I123-I133 HydrophobicContact CG2-CG2 4.26Å; L125-I133 HydrophobicContact CD2-CD1 4.27Å; L125-I133 HydrophobicContact CD2-CG1 4.36Å; I131-I133 HydrophobicContact CG2-CB 4.27Å; I131-I133 HydrophobicContact CG2-CD1 3.92Å; I131-I133 HydrophobicContact CG2-CG1 3.93Å; I133-S136 WeakPolarHBondContact O-CB 3.46Å; I133-S136 PolarHBondContact O-N 2.71Å; I133-L137 HydrophobicContact CG2-CD1 4.35Å; I133-L137 WeakPolarHBondContact O-CG 3.33Å; I133-L137 PolarHBondContact O-N 3.1Å; I133-V154 HydrophobicContact CG2-CG1 3.55Å; I133-V154 HydrophobicContact CG2-CG2 4.17Å; I133-L187 HydrophobicContact CD1-CB 4.08Å; I133-L187 WeakPolarHBondContact CD1-O 3.17Å; I133-W188 HydrophobicContact CB-CE3 4.23Å; I133-W188 HydrophobicContact CB-CH2 3.68Å; I133-W188 HydrophobicContact CB-CZ2 4.18Å; I133-W188 HydrophobicContact CB-CZ3 3.73Å; I133-W188 HydrophobicContact CD1-CD2 3.95Å; I133-W188 HydrophobicContact CD1-CE3 3.74Å; I133-W188 HydrophobicContact CD1-CG 4.38Å; I133-W188 HydrophobicContact CD1-CZ3 4.13Å; I133-W188 HydrophobicContact CG1-CZ3 4.43Å; I133-W188 HydrophobicContact CG2-CD2 4.4Å; I133-W188 HydrophobicContact CG2-CE3 4.43Å; I133-W188 HydrophobicContact CG2-CH2 3.58Å; I133-W188 HydrophobicContact CG2-CZ2 3.55Å; I133-W188 HydrophobicContact CG2-CZ3 4.06Å; I133-A191 HydrophobicContact CD1-CB 3.88Å
134N95.6Very high90.4Very high92 Ų9262.9 Ų62.949%0.49231%0.31SS..Hα-helixtrans-65.1-42.8-179.6-80.4-37.9000111.7S136 L137 Q138 W188N134-S136 VanDerWaalsContact C-N 3.34Å; N134-L137 PolarHBondContact O-N 3.01Å; N134-Q138 PolarHBondContact O-N 3.45Å; N134-W188 WeakPolarHBondContact OD1-CH2 3.41Å
135E96.2Very high88.9Confident78 Ų7863 Ų6336%0.36431%0.31SS..Hα-helixtrans-66.9-39175.9-62.887.6161.500110.5Y132 L137 Q138 A139Y132-E135 WeakPolarHBondContact CA-OE2 3.32Å; Y132-E135 HydrophobicContact CD1-CB 3.85Å; Y132-E135 HydrophobicContact CD2-CB 3.97Å; Y132-E135 HydrophobicContact CD2-CG 3.92Å; Y132-E135 HydrophobicContact CE1-CB 3.48Å; Y132-E135 VanDerWaalsContact CE1-CB 3.48Å; Y132-E135 HydrophobicContact CE1-CG 4.34Å; Y132-E135 HydrophobicContact CE2-CB 3.64Å; Y132-E135 HydrophobicContact CE2-CG 3.53Å; Y132-E135 HydrophobicContact CG-CB 4.08Å; Y132-E135 HydrophobicContact CG-CG 4.48Å; E135-L137 PolarHBondContact O-N 3.11Å; E135-Q138 PolarHBondContact O-N 3.08Å; E135-Q138 VanDerWaalsContact O-N 3.12Å; E135-A139 WeakPolarHBondContact O-CB 3.32Å; E135-A139 PolarHBondContact O-N 2.96Å
136S95.8Very high87.6Confident0 Ų068.1 Ų68.10%033%0.334CS..Hα-helixtrans-62.6-40.7175.4-58.10000112.9Y102 W124 Y132 I133 N134 Q138 A139 E140Y102-S136 VanDerWaalsContact OH-CA 3.31Å; Y102-S136 WeakPolarHBondContact OH-CA 3.45Å; Y102-S136 WeakPolarHBondContact OH-CB 3.46Å; Y102-S136 PolarHBondContact OH-OG 3.42Å; W124-S136 WeakPolarHBondContact CA-OG 3.33Å; W124-S136 WeakPolarHBondContact CB-OG 3.37Å; W124-S136 PolarHBondContact N-OG 2.89Å; W124-S136 PolarHBondContact O-OG 3.15Å; Y132-S136 WeakPolarHBondContact O-CB 3.31Å; Y132-S136 PolarHBondContact O-N 3.48Å; Y132-S136 PolarHBondContact O-OG 3.21Å; I133-S136 WeakPolarHBondContact O-CB 3.46Å; I133-S136 PolarHBondContact O-N 2.71Å; N134-S136 VanDerWaalsContact C-N 3.34Å; S136-Q138 PolarHBondContact O-N 3.25Å; S136-A139 PolarHBondContact O-N 3.41Å; S136-A139 VanDerWaalsContact O-N 3.17Å; S136-E140 WeakPolarHBondContact O-CB 3.21Å; S136-E140 WeakPolarHBondContact O-CG 3.31Å; S136-E140 PolarHBondContact O-N 3.1Å
137L92.4Very high85.5Confident42 Ų4270.8 Ų70.822%0.2235%0.351CS..Hα-helixtrans-59.9-25.5174.8-79.3170000113.1I133 N134 E135 L150 K151 V154I133-L137 HydrophobicContact CG2-CD1 4.35Å; I133-L137 WeakPolarHBondContact O-CG 3.33Å; I133-L137 PolarHBondContact O-N 3.1Å; N134-L137 PolarHBondContact O-N 3.01Å; E135-L137 PolarHBondContact O-N 3.11Å; L137-L150 HydrophobicContact CD2-CB 4.34Å; L137-L150 HydrophobicContact CD2-CD2 3.94Å; L137-L150 HydrophobicContact CD2-CG 3.81Å; L137-K151 HydrophobicContact CD1-CD 3.9Å; L137-K151 HydrophobicContact CD2-CD 4.49Å; L137-V154 HydrophobicContact CD2-CG2 3.81Å; L137-V154 HydrophobicContact CG-CG2 4.25Å
138Q90.3Very high84.4Confident174 Ų17468.3 Ų68.381%0.81336%0.356SS*.Hα-helixtrans-90.6-30176.9-63.5177.310.700112.7N134 E135 S136N134-Q138 PolarHBondContact O-N 3.45Å; E135-Q138 PolarHBondContact O-N 3.08Å; E135-Q138 VanDerWaalsContact O-N 3.12Å; S136-Q138 PolarHBondContact O-N 3.25Å
139A88.6Confident83.8Confident32 Ų3267 Ų6726%0.26436%0.355SS..Hα-helixtrans-90.8-27.1-173.500000114.1Y102 E135 S136Y102-A139 HydrophobicContact CD2-CB 4.47Å; Y102-A139 HydrophobicContact CE2-CB 3.73Å; E135-A139 WeakPolarHBondContact O-CB 3.32Å; E135-A139 PolarHBondContact O-N 2.96Å; S136-A139 PolarHBondContact O-N 3.41Å; S136-A139 VanDerWaalsContact O-N 3.17Å
140E88.2Confident83.3Confident14 Ų1463.1 Ų63.17%0.06534%0.342CS..SBendtrans-97.4144.8-169.9-64.6-170.1-142.600114N87 A88 Y102 V122 I123 W124 S136 L150N87-E140 PolarHBondContact ND2-OE2 2.89Å; A88-E140 PolarHBondContact N-OE2 3.04Å; Y102-E140 HydrophobicContact CE1-CG 3.6Å; Y102-E140 WeakPolarHBondContact CE1-OE1 3.45Å; Y102-E140 PolarHBondContact OH-OE1 3.41Å; V122-E140 WeakPolarHBondContact CA-OE2 3.19Å; I123-E140 WeakPolarHBondContact CA-OE1 3.43Å; I123-E140 PolarHBondContact N-OE1 3.17Å; I123-E140 VanDerWaalsContact N-OE1 3.07Å; I123-E140 PolarHBondContact N-OE2 3.06Å; W124-E140 PolarHBondContact N-OE1 3.18Å; S136-E140 WeakPolarHBondContact O-CB 3.21Å; S136-E140 WeakPolarHBondContact O-CG 3.31Å; S136-E140 PolarHBondContact O-N 3.1Å; E140-L150 HydrophobicContact CB-CD2 4.42Å
141C72.1Confident82.9Confident53 Ų5360.4 Ų60.436%0.35833%0.33SS..  trans-77141.3175.9-57.70000111.2V85 Q86 E143V85-C141 HydrophobicContact CG1-CB 4.3Å; Q86-C141 PolarHBondContact O-N 3.03Å; C141-E143 VanDerWaalsContact C-N 3.29Å; C141-E143 PolarHBondContact O-N 3.36Å
142S67.7Low82.6Confident76 Ų7662 Ų6253%0.53133%0.333SS..G310 helixtrans-78.9-3.9-179.457.80000115T144S142-T144 PolarHBondContact O-N 3.16Å
143E66.2Low82.4Confident173 Ų17360.2 Ų60.281%0.80833%0.326SS*.G310 helixtrans-81.1-10.1-169.5-62.6-170.417200114.8C141C141-E143 VanDerWaalsContact C-N 3.29Å; C141-E143 PolarHBondContact O-N 3.36Å
144T64.2Low82.3Confident15 Ų1560.2 Ų60.29%0.09233%0.326CS..G310 helixtrans-87.9-15.7-177.745.40000114.4V85 N87 V122 S142V85-T144 HydrophobicContact CG1-CG2 4.19Å; N87-T144 PolarHBondContact ND2-OG1 3.34Å; N87-T144 VanDerWaalsContact ND2-OG1 3.15Å; N87-T144 WeakPolarHBondContact OD1-CG2 3.44Å; V122-T144 VanDerWaalsContact CG2-OG1 3.29Å; V122-T144 WeakPolarHBondContact CG2-OG1 3.25Å; S142-T144 PolarHBondContact O-N 3.16Å
145E67.7Low82.3Confident18 Ų1858.8 Ų58.88%0.08432%0.319CS..  trans-109.3138.7-177.2-68.5-64.3165.800112.5F60 V122 L150 F153F60-E145 WeakPolarHBondContact CD1-OE1 3.29Å; F60-E145 WeakPolarHBondContact CE1-OE1 3.41Å; F60-E145 WeakPolarHBondContact CE1-OE2 3.44Å; F60-E145 WeakPolarHBondContact CE2-OE1 3.35Å; F60-E145 WeakPolarHBondContact CZ-OE1 3.39Å; V122-E145 HydrophobicContact CB-CG 4.19Å; V122-E145 WeakPolarHBondContact CB-OE1 3.33Å; V122-E145 HydrophobicContact CG1-CG 3.81Å; V122-E145 HydrophobicContact CG2-CG 4.05Å; V122-E145 WeakPolarHBondContact CG2-OE1 3.49Å; E145-L150 HydrophobicContact CG-CD1 4.5Å; E145-F153 HydrophobicContact CG-CD1 4.33Å; E145-F153 HydrophobicContact CG-CD2 4.46Å; E145-F153 HydrophobicContact CG-CE1 4.33Å; E145-F153 HydrophobicContact CG-CE2 4.45Å; E145-F153 HydrophobicContact CG-CG 4.38Å; E145-F153 HydrophobicContact CG-CZ 4.37Å; E145-F153 WeakPolarHBondContact OE1-CZ 3.39Å; E145-F153 WeakPolarHBondContact OE2-CE2 3.5Å
146E70.6Confident82.2Confident108 Ų10855.6 Ų55.651%0.50530%0.304SS..  trans-102.5-1.6178.5-63.9-175.5-177.200113.4T63 G148T63-E146 WeakPolarHBondContact CB-OE2 3.32Å; T63-E146 WeakPolarHBondContact CG2-OE2 3.23Å; T63-E146 PolarHBondContact N-OE1 3.39Å; T63-E146 VanDerWaalsContact N-OE1 3.08Å; T63-E146 PolarHBondContact OG1-OE1 2.79Å; T63-E146 PolarHBondContact OG1-OE2 2.92Å; E146-G148 VanDerWaalsContact C-N 3.3Å; E146-G148 PolarHBondContact O-N 2.77Å
147T55.9Low82.3Confident57 Ų5757.8 Ų57.835%0.3532%0.317SS..SBendtrans-76-12.6-173.3-53.30000113.7Y152 F153 V156 T180T147-Y152 HydrophobicContact CG2-CD1 4.15Å; T147-Y152 HydrophobicContact CG2-CE1 4Å; T147-Y152 WeakPolarHBondContact O-CD1 3.2Å; T147-F153 HydrophobicContact CG2-CD2 4.37Å; T147-V156 HydrophobicContact CG2-CG1 4.45Å; T147-T180 HydrophobicContact CG2-CG2 4.46Å
148G75.1Confident82.5Confident47 Ų4755.9 Ų55.949%0.48531%0.308SS..SBendtrans135.7-145.7-178.700000112.1E146E146-G148 VanDerWaalsContact C-N 3.3Å; E146-G148 PolarHBondContact O-N 2.77Å
149S84.8Confident82.9Confident74 Ų7447.8 Ų47.852%0.51727%0.27SS..SBendtrans-66.2148.1171.473.10000110.4K151 Y152 F153S149-K151 PolarHBondContact O-N 3.07Å; S149-K151 VanDerWaalsContact O-N 3.15Å; S149-Y152 WeakPolarHBondContact O-CB 3.24Å; S149-Y152 PolarHBondContact O-N 3.13Å; S149-Y152 WeakPolarHBondContact OG-CB 2.94Å; S149-Y152 PolarHBondContact OG-N 2.87Å; S149-F153 PolarHBondContact O-N 2.68Å
150L86Confident83.3Confident17 Ų1746.4 Ų46.49%0.08926%0.258CS..Hα-helixtrans-56.9-33.8178.6-169.166.4000111.8V122 I123 L137 E140 E145 F153 V154V122-L150 HydrophobicContact CG1-CD1 3.82Å; I123-L150 HydrophobicContact CD1-CD1 4.1Å; I123-L150 HydrophobicContact CD1-CD2 4.26Å; I123-L150 HydrophobicContact CD1-CG 4.22Å; L137-L150 HydrophobicContact CD2-CB 4.34Å; L137-L150 HydrophobicContact CD2-CD2 3.94Å; L137-L150 HydrophobicContact CD2-CG 3.81Å; E140-L150 HydrophobicContact CB-CD2 4.42Å; E145-L150 HydrophobicContact CG-CD1 4.5Å; L150-F153 HydrophobicContact CD1-CD1 4.33Å; L150-F153 PolarHBondContact O-N 2.95Å; L150-V154 WeakPolarHBondContact O-CG2 3.36Å; L150-V154 PolarHBondContact O-N 2.98Å
151K89.1Confident83.8Confident97 Ų9745.8 Ų45.842%0.42226%0.255SS..Hα-helixtrans-65.3-44.4174.6-170.764.3170.482.90112.5L137 S149 F153 V154 D155L137-K151 HydrophobicContact CD1-CD 3.9Å; L137-K151 HydrophobicContact CD2-CD 4.49Å; S149-K151 PolarHBondContact O-N 3.07Å; S149-K151 VanDerWaalsContact O-N 3.15Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-V154 PolarHBondContact O-N 3.21Å; K151-D155 IonicContact NZ-OD1 3.52Å; K151-D155 PolarHBondContact NZ-OD1 2.97Å; K151-D155 IonicContact NZ-OD2 3.8Å; K151-D155 PolarHBondContact NZ-OD2 3.48Å; K151-D155 PolarHBondContact O-N 3Å; K151-D155 VanDerWaalsContact O-N 3.11Å
152Y92.3Very high85.1Confident91 Ų9143.3 Ų43.336%0.35724%0.239SC..Hα-helixtrans-60.8-45.5175177.6-101.9000111T147 S149 V154 D155 V156 D181T147-Y152 HydrophobicContact CG2-CD1 4.15Å; T147-Y152 HydrophobicContact CG2-CE1 4Å; T147-Y152 WeakPolarHBondContact O-CD1 3.2Å; S149-Y152 WeakPolarHBondContact O-CB 3.24Å; S149-Y152 PolarHBondContact O-N 3.13Å; S149-Y152 WeakPolarHBondContact OG-CB 2.94Å; S149-Y152 PolarHBondContact OG-N 2.87Å; Y152-V154 VanDerWaalsContact C-N 3.26Å; Y152-V154 PolarHBondContact O-N 3.05Å; Y152-D155 PolarHBondContact O-N 3.29Å; Y152-V156 HydrophobicContact CD1-CB 4.47Å; Y152-V156 HydrophobicContact CD1-CG1 4.38Å; Y152-V156 HydrophobicContact CE1-CB 4.16Å; Y152-V156 HydrophobicContact CE1-CG1 4.21Å; Y152-V156 HydrophobicContact CE1-CG2 4.22Å; Y152-V156 HydrophobicContact CE2-CB 4.3Å; Y152-V156 HydrophobicContact CE2-CG2 4.34Å; Y152-V156 VanDerWaalsContact O-CB 3.28Å; Y152-V156 WeakPolarHBondContact O-CB 3.47Å; Y152-V156 VanDerWaalsContact O-CG1 3.25Å; Y152-V156 WeakPolarHBondContact O-CG1 3.45Å; Y152-V156 PolarHBondContact O-N 3.12Å; Y152-D181 PolarHBondContact OH-OD1 2.82Å; Y152-D181 PolarHBondContact OH-OD2 3.43Å
153F93.6Very high86.6Confident6 Ų639.7 Ų39.73%0.02621%0.214CC..Hα-helixtrans-56.2-39.1176.9171.9-102.6000112.9F60 V122 I123 E145 T147 S149 L150 K151 R160 L187 N204F60-F153 HydrophobicContact CZ-CZ 4.21Å; V122-F153 HydrophobicContact CG1-CE1 4.34Å; I123-F153 HydrophobicContact CG1-CD1 4.48Å; I123-F153 HydrophobicContact CG1-CE1 4.28Å; E145-F153 HydrophobicContact CG-CD1 4.33Å; E145-F153 HydrophobicContact CG-CD2 4.46Å; E145-F153 HydrophobicContact CG-CE1 4.33Å; E145-F153 HydrophobicContact CG-CE2 4.45Å; E145-F153 HydrophobicContact CG-CG 4.38Å; E145-F153 HydrophobicContact CG-CZ 4.37Å; E145-F153 WeakPolarHBondContact OE1-CZ 3.39Å; E145-F153 WeakPolarHBondContact OE2-CE2 3.5Å; T147-F153 HydrophobicContact CG2-CD2 4.37Å; S149-F153 PolarHBondContact O-N 2.68Å; L150-F153 HydrophobicContact CD1-CD1 4.33Å; L150-F153 PolarHBondContact O-N 2.95Å; K151-F153 VanDerWaalsContact C-N 3.33Å; F153-R160 PolarHBondContact O-NH1 2.77Å; F153-R160 PolarHBondContact O-NH2 2.84Å; F153-L187 HydrophobicContact CD1-CD1 4.13Å; F153-L187 HydrophobicContact CE1-CD1 3.73Å; F153-L187 HydrophobicContact CZ-CD1 4.5Å; F153-N204 WeakPolarHBondContact CZ-ND2 3.11Å
154V94.9Very high88.1Confident0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-68.4-44.7177.1165.30000112.3I123 I133 L137 L150 K151 Y152 L187 W188I123-V154 HydrophobicContact CD1-CG2 3.91Å; I123-V154 HydrophobicContact CG1-CG2 3.86Å; I133-V154 HydrophobicContact CG2-CG1 3.55Å; I133-V154 HydrophobicContact CG2-CG2 4.17Å; L137-V154 HydrophobicContact CD2-CG2 3.81Å; L137-V154 HydrophobicContact CG-CG2 4.25Å; L150-V154 WeakPolarHBondContact O-CG2 3.36Å; L150-V154 PolarHBondContact O-N 2.98Å; K151-V154 PolarHBondContact O-N 3.21Å; Y152-V154 VanDerWaalsContact C-N 3.26Å; Y152-V154 PolarHBondContact O-N 3.05Å; V154-L187 HydrophobicContact CG1-CB 4.39Å; V154-L187 HydrophobicContact CG2-CD1 4.07Å; V154-L187 PolarHBondContact O-N 2.98Å; V154-W188 HydrophobicContact CG1-CZ2 4.1Å; V154-W188 VanDerWaalsContact CG1-NE1 3.34Å
155D95.9Very high89.8Confident63 Ų6332.1 Ų32.134%0.33718%0.177SC..Hα-helixtrans-85.3-26-170.5-65.3-18.7000113.7K151 Y152 N186 W188K151-D155 IonicContact NZ-OD1 3.52Å; K151-D155 PolarHBondContact NZ-OD1 2.97Å; K151-D155 IonicContact NZ-OD2 3.8Å; K151-D155 PolarHBondContact NZ-OD2 3.48Å; K151-D155 PolarHBondContact O-N 3Å; K151-D155 VanDerWaalsContact O-N 3.11Å; Y152-D155 PolarHBondContact O-N 3.29Å; D155-N186 WeakPolarHBondContact O-CB 3.37Å; D155-N186 PolarHBondContact O-ND2 2.96Å; D155-W188 PolarHBondContact OD1-NE1 3.2Å
156V95.6Very high91.2Very high10 Ų1031.9 Ų31.96%0.06118%0.177CC..SBendtrans-69.1135.3-176.470.90000111.1T147 Y152 R160 T180 D181 N186T147-V156 HydrophobicContact CG2-CG1 4.45Å; Y152-V156 HydrophobicContact CD1-CB 4.47Å; Y152-V156 HydrophobicContact CD1-CG1 4.38Å; Y152-V156 HydrophobicContact CE1-CB 4.16Å; Y152-V156 HydrophobicContact CE1-CG1 4.21Å; Y152-V156 HydrophobicContact CE1-CG2 4.22Å; Y152-V156 HydrophobicContact CE2-CB 4.3Å; Y152-V156 HydrophobicContact CE2-CG2 4.34Å; Y152-V156 VanDerWaalsContact O-CB 3.28Å; Y152-V156 WeakPolarHBondContact O-CB 3.47Å; Y152-V156 VanDerWaalsContact O-CG1 3.25Å; Y152-V156 WeakPolarHBondContact O-CG1 3.45Å; Y152-V156 PolarHBondContact O-N 3.12Å; V156-R160 PolarHBondContact O-NH2 2.88Å; V156-T180 HydrophobicContact CG1-CG2 4.35Å; V156-T180 HydrophobicContact CG2-CG2 3.81Å; V156-D181 WeakPolarHBondContact CG2-OD1 3.5Å; V156-N186 WeakPolarHBondContact O-CA 3.48Å; V156-N186 WeakPolarHBondContact O-CB 3.22Å
157V96.4Very high92.4Very high46 Ų4632.6 Ų32.628%0.27918%0.18SC..  trans-73.2132.6171-63.60000109.6T180 D181 N186V157-T180 CarbonylContact O-C 3.57Å; V157-T180 VanDerWaalsContact O-CA 3.3Å; V157-T180 WeakPolarHBondContact O-CA 3.35Å; V157-D181 PolarHBondContact O-N 2.96Å; V157-N186 HydrophobicContact CG1-CB 4.34Å
158S97.4Very high94.3Very high3 Ų336 Ų362%0.02119%0.192CC..BIsolated β-bridgetrans-157.5179.3175.3-162.70000111T180 R183 G184 M185 G208S158-T180 WeakPolarHBondContact OG-CA 3.31Å; S158-T180 PolarHBondContact OG-N 2.9Å; S158-T180 PolarHBondContact OG-OG1 3.44Å; S158-R183 CarbonylContact C-O 3.57Å; S158-R183 WeakPolarHBondContact CA-O 3.41Å; S158-G184 CarbonylContact O-C 3.55Å; S158-G184 WeakPolarHBondContact O-CA 3.32Å; S158-M185 PolarHBondContact N-O 2.96Å; S158-M185 VanDerWaalsContact N-O 3.14Å; S158-M185 PolarHBondContact O-N 3.37Å; S158-G208 WeakPolarHBondContact OG-CA 3.39Å
159A97.8Very high95.2Very high3 Ų335.3 Ų35.33%0.02519%0.185CC..  trans-66.8139.7161.200000108.6I176 G207 G208A159-I176 WeakPolarHBondContact CA-O 3.24Å; A159-I176 WeakPolarHBondContact CB-O 3.35Å; A159-G207 CarbonylContact O-C 3.53Å; A159-G207 WeakPolarHBondContact O-CA 3.2Å; A159-G208 WeakPolarHBondContact CB-O 3.34Å; A159-G208 PolarHBondContact O-N 3.47Å
160R98.3Very high95.7Very high4 Ų435.2 Ų35.22%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-136.5150.4-176-57.3-65.4-179.4168.21.6110.6F153 V156 Q175 I176 M185 L187 V190F153-R160 PolarHBondContact O-NH1 2.77Å; F153-R160 PolarHBondContact O-NH2 2.84Å; V156-R160 PolarHBondContact O-NH2 2.88Å; R160-Q175 WeakPolarHBondContact O-CA 3.34Å; R160-I176 HydrophobicContact CB-CG2 3.84Å; R160-I176 HydrophobicContact CG-CG2 4.32Å; R160-I176 PolarHBondContact N-O 3.33Å; R160-I176 VanDerWaalsContact N-O 3.16Å; R160-I176 PolarHBondContact O-N 3.25Å; R160-M185 WeakPolarHBondContact CG-O 3.38Å; R160-M185 PolarHBondContact NE-O 3.21Å; R160-L187 HydrophobicContact CG-CD2 4.27Å; R160-V190 HydrophobicContact CB-CG2 4.07Å; R160-V190 HydrophobicContact CG-CG2 4.05Å
161T98.8Very high96.3Very high0 Ų034.5 Ų34.50%017%0.17CC..EExtended strand (participates in β ladder)trans-128.7150.2166.167.40000109.9N57 F174 Q175 N204 L205 D206N57-T161 VanDerWaalsContact OD1-CG2 3.32Å; N57-T161 WeakPolarHBondContact OD1-CG2 3.31Å; T161-F174 CarbonylContact C-O 3.46Å; T161-F174 WeakPolarHBondContact CA-O 3.21Å; T161-Q175 HydrophobicContact CG2-CB 4.19Å; T161-Q175 HydrophobicContact CG2-CG 3.9Å; T161-N204 PolarHBondContact O-OD1 2.86Å; T161-L205 PolarHBondContact O-N 3.12Å; T161-L205 VanDerWaalsContact OG1-CB 3.31Å; T161-L205 WeakPolarHBondContact OG1-CB 2.82Å; T161-D206 PolarHBondContact OG1-O 3.41Å
162A98.8Very high96.8Very high1 Ų130.2 Ų30.21%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-146.9160178.200000110.4Q56 L125 F174 L194 I203Q56-A162 PolarHBondContact NE2-O 2.89Å; L125-A162 HydrophobicContact CD1-CB 3.84Å; A162-F174 HydrophobicContact CB-CB 4.28Å; A162-F174 HydrophobicContact CB-CD1 4.22Å; A162-F174 PolarHBondContact N-O 3.15Å; A162-F174 PolarHBondContact O-N 3.37Å; A162-L194 HydrophobicContact CB-CD1 4.06Å; A162-I203 VanDerWaalsContact CA-O 3.31Å; A162-I203 WeakPolarHBondContact CA-O 3.43Å; A162-I203 VanDerWaalsContact CB-O 3.32Å; A162-I203 WeakPolarHBondContact CB-O 2.96Å
163V98.8Very high97.1Very high1 Ų126 Ų261%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-131.613817062.80000108.9F90 F100 L171 I172 A202 I203 L205 L243F90-V163 HydrophobicContact CB-CG1 3.7Å; F90-V163 HydrophobicContact CD1-CB 4.37Å; F90-V163 HydrophobicContact CD1-CG1 3.71Å; F90-V163 HydrophobicContact CD1-CG2 3.76Å; F90-V163 HydrophobicContact CE1-CG2 3.83Å; F90-V163 HydrophobicContact CG-CG1 3.77Å; F90-V163 HydrophobicContact CG-CG2 4.14Å; F90-V163 HydrophobicContact CZ-CG2 4.26Å; F100-V163 HydrophobicContact CE1-CG1 4.48Å; F100-V163 WeakPolarHBondContact CE1-O 3.49Å; V163-L171 HydrophobicContact CG2-CD1 3.92Å; V163-L171 HydrophobicContact CG2-CD2 4.1Å; V163-L171 HydrophobicContact CG2-CG 4.04Å; V163-I172 CarbonylContact C-O 3.56Å; V163-I172 VanDerWaalsContact CA-O 3.31Å; V163-I172 WeakPolarHBondContact CA-O 3.21Å; V163-A202 CarbonylContact O-C 3.32Å; V163-A202 VanDerWaalsContact O-CA 3.24Å; V163-A202 WeakPolarHBondContact O-CA 3.47Å; V163-I203 HydrophobicContact CG1-CD1 4.15Å; V163-I203 HydrophobicContact CG1-CG1 3.65Å; V163-I203 PolarHBondContact N-O 3.47Å; V163-I203 VanDerWaalsContact N-O 3.12Å; V163-I203 PolarHBondContact O-N 2.99Å; V163-L205 HydrophobicContact CB-CD1 4.04Å; V163-L205 HydrophobicContact CG1-CD1 3.82Å; V163-L205 HydrophobicContact CG1-CD2 4.3Å; V163-L205 HydrophobicContact CG1-CG 4.12Å; V163-L243 HydrophobicContact CB-CD1 4.14Å; V163-L243 HydrophobicContact CG1-CD1 4.39Å; V163-L243 HydrophobicContact CG2-CD1 4.33Å
164G98.6Very high97.3Very high2 Ų225.8 Ų25.82%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-155.2-170.2-177.800000112.4L171 I172 N201G164-L171 VanDerWaalsContact O-CD1 3.23Å; G164-L171 WeakPolarHBondContact O-CD1 3.31Å; G164-I172 PolarHBondContact N-O 2.91Å; G164-I172 PolarHBondContact O-N 3.17Å; G164-N201 CarbonylContact C-O 3.44Å; G164-N201 WeakPolarHBondContact CA-O 3.08Å
165H98.6Very high97.4Very high26 Ų2625.8 Ų25.812%0.1213%0.134CC..EExtended strand (participates in β ladder)trans-146.3160172.67695.6000112L98 F100 R170 V199 V200 N201L98-H165 HydrophobicContact CD1-CB 3.68Å; F100-H165 AromaticContact CD2-CD2 3.5Å; F100-H165 HydrophobicContact CE2-CB 4.15Å; F100-H165 AromaticContact CE2-CD2 3.21Å; F100-H165 WeakPolarHBondContact CE2-CD2 3.32Å; F100-H165 AromaticContact CE2-CG 3.96Å; F100-H165 HydrophobicContact CZ-CB 4.4Å; F100-H165 AromaticContact CZ-CD2 3.97Å; H165-R170 WeakPolarHBondContact CA-O 3.46Å; H165-R170 WeakPolarHBondContact CB-O 3.38Å; H165-V199 WeakPolarHBondContact O-CG1 3.31Å; H165-V200 PolarHBondContact O-N 3.37Å; H165-N201 PolarHBondContact N-O 3.36Å; H165-N201 WeakPolarHBondContact NE2-CB 3.29Å; H165-N201 PolarHBondContact NE2-ND2 3.3Å
166D97.1Very high97.5Very high13 Ų1322.8 Ų22.87%0.0712%0.118CC..  trans-98-175.6173.161.823.7000113E168 G169 R170D166-E168 VanDerWaalsContact C-N 3.25Å; D166-E168 PolarHBondContact O-N 3.2Å; D166-E168 PolarHBondContact OD1-N 3.46Å; D166-E168 VanDerWaalsContact OD1-N 3.1Å; D166-G169 PolarHBondContact O-N 3.41Å; D166-G169 PolarHBondContact OD1-N 2.97Å; D166-G169 VanDerWaalsContact OD1-N 3.15Å; D166-R170 PolarHBondContact N-O 3.18Å; D166-R170 WeakPolarHBondContact OD1-CB 3.31Å; D166-R170 PolarHBondContact OD1-N 3.5Å; D166-R170 IonicContact OD1-NE 3.56Å; D166-R170 WeakPolarHBondContact OD2-CB 3.49Å; D166-R170 IonicContact OD2-CZ 2.78Å; D166-R170 IonicContact OD2-NE 3.2Å; D166-R170 PolarHBondContact OD2-NE 3.34Å; D166-R170 IonicContact OD2-NH2 2.71Å; D166-R170 PolarHBondContact OD2-NH2 2.61Å
167E95.9Very high97.5Very high124 Ų12422.9 Ų22.958%0.57912%0.118SC*.THydrogen-bonded Turntrans-67.4-24.8179.7-80.6-176156.300113.3R129 G169 V200R129-E167 IonicContact CZ-OE1 2.83Å; R129-E167 IonicContact CZ-OE2 2.67Å; R129-E167 VanDerWaalsContact CZ-OE2 3.27Å; R129-E167 IonicContact NE-OE1 3.2Å; R129-E167 IonicContact NH1-OE1 2.73Å; R129-E167 PolarHBondContact NH1-OE1 2.98Å; R129-E167 IonicContact NH1-OE2 3.25Å; R129-E167 PolarHBondContact NH1-OE2 2.7Å; R129-E167 IonicContact NH2-OE1 2.74Å; R129-E167 PolarHBondContact NH2-OE1 2.94Å; R129-E167 IonicContact NH2-OE2 3.2Å; R129-E167 PolarHBondContact NH2-OE2 3.19Å; E167-G169 PolarHBondContact O-N 2.92Å; E167-V200 HydrophobicContact CB-CG2 4.4Å; E167-V200 HydrophobicContact CG-CG2 3.6Å
168E95.8Very high97.5Very high127 Ų12720.9 Ų20.959%0.59311%0.107SC*.THydrogen-bonded Turntrans-81-2.1177-61.676.3-155.200112.7D166 R170D166-E168 VanDerWaalsContact C-N 3.25Å; D166-E168 PolarHBondContact O-N 3.2Å; D166-E168 PolarHBondContact OD1-N 3.46Å; D166-E168 VanDerWaalsContact OD1-N 3.1Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 HydrophobicContact CB-CG 4.16Å; E168-R170 IonicContact OE2-CZ 2.59Å; E168-R170 IonicContact OE2-NE 2.91Å; E168-R170 IonicContact OE2-NH2 3.27Å; E168-R170 PolarHBondContact OE2-NH2 3.41Å
169G94.1Very high97.4Very high33 Ų3322.2 Ų22.234%0.3411%0.113SC..  trans7715.9-178.100000113.6D166 E167D166-G169 PolarHBondContact O-N 3.41Å; D166-G169 PolarHBondContact OD1-N 2.97Å; D166-G169 VanDerWaalsContact OD1-N 3.15Å; E167-G169 PolarHBondContact O-N 2.92Å
170R96.8Very high97.4Very high73 Ų7324.1 Ų24.128%0.27512%0.124SC..  trans-78.4139.2173.9-54.9173.8-71.8-179.9-8108.9V16 V17 H18 H165 D166 E168V16-R170 HydrophobicContact CG1-CB 3.72Å; V16-R170 HydrophobicContact CG1-CG 4.34Å; V17-R170 CarbonylContact O-C 3.51Å; V17-R170 VanDerWaalsContact O-CA 3.32Å; V17-R170 WeakPolarHBondContact O-CA 3.09Å; V17-R170 WeakPolarHBondContact O-CB 3.39Å; H18-R170 VanDerWaalsContact ND1-CD 3.32Å; H18-R170 WeakPolarHBondContact ND1-CD 3.38Å; H165-R170 WeakPolarHBondContact CA-O 3.46Å; H165-R170 WeakPolarHBondContact CB-O 3.38Å; D166-R170 PolarHBondContact N-O 3.18Å; D166-R170 WeakPolarHBondContact OD1-CB 3.31Å; D166-R170 PolarHBondContact OD1-N 3.5Å; D166-R170 IonicContact OD1-NE 3.56Å; D166-R170 WeakPolarHBondContact OD2-CB 3.49Å; D166-R170 IonicContact OD2-CZ 2.78Å; D166-R170 IonicContact OD2-NE 3.2Å; D166-R170 PolarHBondContact OD2-NE 3.34Å; D166-R170 IonicContact OD2-NH2 2.71Å; D166-R170 PolarHBondContact OD2-NH2 2.61Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 HydrophobicContact CB-CG 4.16Å; E168-R170 IonicContact OE2-CZ 2.59Å; E168-R170 IonicContact OE2-NE 2.91Å; E168-R170 IonicContact OE2-NH2 3.27Å; E168-R170 PolarHBondContact OE2-NH2 3.41Å
171L98.3Very high97.2Very high1 Ų128.7 Ų28.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-81.5139178.8-165.377.4000110.4V16 V17 P20 V24 F90 L98 F100 V163 G164 L173V16-L171 CarbonylContact C-O 3.55Å; V16-L171 WeakPolarHBondContact CA-O 3.29Å; V17-L171 HydrophobicContact CB-CB 4.16Å; V17-L171 PolarHBondContact N-O 2.94Å; V17-L171 PolarHBondContact O-N 2.85Å; P20-L171 HydrophobicContact CB-CB 3.94Å; P20-L171 HydrophobicContact CB-CD2 4.48Å; P20-L171 HydrophobicContact CG-CB 3.59Å; V24-L171 HydrophobicContact CB-CD2 4.37Å; V24-L171 HydrophobicContact CG1-CD2 4Å; V24-L171 HydrophobicContact CG2-CD2 3.7Å; F90-L171 HydrophobicContact CD2-CD1 4.35Å; F90-L171 HydrophobicContact CE1-CD1 4.2Å; F90-L171 HydrophobicContact CE1-CD2 4.13Å; F90-L171 HydrophobicContact CE2-CD1 3.4Å; F90-L171 HydrophobicContact CZ-CD1 3.31Å; F90-L171 HydrophobicContact CZ-CD2 3.74Å; F90-L171 HydrophobicContact CZ-CG 4.19Å; L98-L171 HydrophobicContact CD1-CD1 4.28Å; F100-L171 HydrophobicContact CZ-CD1 4.1Å; V163-L171 HydrophobicContact CG2-CD1 3.92Å; V163-L171 HydrophobicContact CG2-CD2 4.1Å; V163-L171 HydrophobicContact CG2-CG 4.04Å; G164-L171 VanDerWaalsContact O-CD1 3.23Å; G164-L171 WeakPolarHBondContact O-CD1 3.31Å; L171-L173 HydrophobicContact CD2-CD1 3.79Å; L171-L173 HydrophobicContact CG-CD1 4.12Å
172I98.3Very high97Very high8 Ų835.9 Ų35.94%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-115.1118.5-179.2-52.3-63000108.7M14 T15 V16 V163 G164 V199M14-I172 HydrophobicContact CE-CG2 3.92Å; M14-I172 HydrophobicContact CG-CG2 3.78Å; M14-I172 HydrophobicContact SD-CG2 4.11Å; T15-I172 CarbonylContact O-C 3.34Å; T15-I172 VanDerWaalsContact O-CA 3.31Å; T15-I172 WeakPolarHBondContact O-CA 3.33Å; V16-I172 HydrophobicContact CB-CD1 4.15Å; V16-I172 HydrophobicContact CG1-CD1 3.92Å; V16-I172 HydrophobicContact CG2-CD1 3.73Å; V163-I172 CarbonylContact C-O 3.56Å; V163-I172 VanDerWaalsContact CA-O 3.31Å; V163-I172 WeakPolarHBondContact CA-O 3.21Å; G164-I172 PolarHBondContact N-O 2.91Å; G164-I172 PolarHBondContact O-N 3.17Å; I172-V199 HydrophobicContact CB-CG2 4.46Å; I172-V199 HydrophobicContact CG1-CG2 4.21Å; I172-V199 HydrophobicContact CG2-CG2 4.2Å
173L98.4Very high96.8Very high2 Ų242.3 Ų42.31%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-102.5126.7168.5-71.167.9000107.8M14 T15 V17 Q56 L171 V245M14-L173 CarbonylContact C-O 3.52Å; M14-L173 WeakPolarHBondContact CA-O 3.37Å; T15-L173 PolarHBondContact N-O 3.42Å; T15-L173 PolarHBondContact O-N 3.43Å; V17-L173 HydrophobicContact CG2-CD1 3.91Å; Q56-L173 HydrophobicContact CG-CD2 4.16Å; L171-L173 HydrophobicContact CD2-CD1 3.79Å; L171-L173 HydrophobicContact CG-CD1 4.12Å; L173-V245 HydrophobicContact CD1-CG2 4.28Å; L173-V245 HydrophobicContact CD2-CG2 3.72Å
174F98.3Very high96.6Very high1 Ų142.7 Ų42.70%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-122.1133.9-179.4172.7-94.6000110.4H13 M14 Q56 T161 A162 I176 M185 V190 F193 L194 L422H13-F174 WeakPolarHBondContact O-CA 3.47Å; M14-F174 HydrophobicContact CE-CD2 4.22Å; Q56-F174 PolarHBondContact OE1-O 2.95Å; T161-F174 CarbonylContact C-O 3.46Å; T161-F174 WeakPolarHBondContact CA-O 3.21Å; A162-F174 HydrophobicContact CB-CB 4.28Å; A162-F174 HydrophobicContact CB-CD1 4.22Å; A162-F174 PolarHBondContact N-O 3.15Å; A162-F174 PolarHBondContact O-N 3.37Å; F174-I176 HydrophobicContact CE1-CB 4.03Å; F174-I176 HydrophobicContact CE1-CG2 4.21Å; F174-I176 HydrophobicContact CZ-CB 3.88Å; F174-I176 HydrophobicContact CZ-CD1 4.15Å; F174-I176 HydrophobicContact CZ-CG2 4.43Å; F174-M185 HydrophobicContact CZ-SD 4.42Å; F174-V190 HydrophobicContact CD1-CG1 4.06Å; F174-V190 HydrophobicContact CE1-CG1 3.76Å; F174-V190 HydrophobicContact CE1-CG2 4.04Å; F174-F193 HydrophobicContact CD2-CD1 4.34Å; F174-F193 HydrophobicContact CD2-CE1 4.26Å; F174-F193 AromaticContact CE2-CD1 3.68Å; F174-F193 HydrophobicContact CE2-CD1 3.68Å; F174-F193 AromaticContact CE2-CE1 3.73Å; F174-F193 HydrophobicContact CE2-CE1 3.73Å; F174-F193 HydrophobicContact CZ-CD1 4.3Å; F174-L194 HydrophobicContact CB-CD2 3.85Å; F174-L194 HydrophobicContact CD1-CD2 4.49Å; F174-L194 HydrophobicContact CD2-CD2 3.94Å; F174-L194 HydrophobicContact CG-CD2 3.84Å; F174-L422 HydrophobicContact CE2-CD1 4.04Å; F174-L422 HydrophobicContact CE2-CD2 4.41Å
175Q98.1Very high96.4Very high0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-137136.1172.9-179.5-86.8-23.100109.8G12 H13 R160 T161 D177 S211 Y213G12-Q175 CarbonylContact C-O 3.55Å; G12-Q175 WeakPolarHBondContact CA-O 3.49Å; H13-Q175 PolarHBondContact N-O 3.26Å; H13-Q175 PolarHBondContact ND1-OE1 3.36Å; H13-Q175 PolarHBondContact O-N 3.41Å; R160-Q175 WeakPolarHBondContact O-CA 3.34Å; T161-Q175 HydrophobicContact CG2-CB 4.19Å; T161-Q175 HydrophobicContact CG2-CG 3.9Å; Q175-D177 PolarHBondContact NE2-OD1 3.34Å; Q175-S211 PolarHBondContact NE2-OG 3.47Å; Q175-Y213 HydrophobicContact CB-CD2 4.14Å
176I97Very high96.4Very high1 Ų142.8 Ų42.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-126.3134.3171.2-157.186.8000109.8F10 P11 A159 R160 F174 M185 S211 L422F10-I176 HydrophobicContact CB-CD1 3.51Å; F10-I176 HydrophobicContact CB-CG1 3.93Å; P11-I176 WeakPolarHBondContact O-CD1 3.22Å; P11-I176 WeakPolarHBondContact O-CG1 3.48Å; A159-I176 WeakPolarHBondContact CA-O 3.24Å; A159-I176 WeakPolarHBondContact CB-O 3.35Å; R160-I176 HydrophobicContact CB-CG2 3.84Å; R160-I176 HydrophobicContact CG-CG2 4.32Å; R160-I176 PolarHBondContact N-O 3.33Å; R160-I176 VanDerWaalsContact N-O 3.16Å; R160-I176 PolarHBondContact O-N 3.25Å; F174-I176 HydrophobicContact CE1-CB 4.03Å; F174-I176 HydrophobicContact CE1-CG2 4.21Å; F174-I176 HydrophobicContact CZ-CB 3.88Å; F174-I176 HydrophobicContact CZ-CD1 4.15Å; F174-I176 HydrophobicContact CZ-CG2 4.43Å; I176-M185 HydrophobicContact CD1-SD 4Å; I176-M185 HydrophobicContact CG1-CG 4.43Å; I176-M185 HydrophobicContact CG1-SD 4.01Å; I176-M185 HydrophobicContact CG2-CB 4.45Å; I176-S211 PolarHBondContact O-OG 3.5Å; I176-L422 HydrophobicContact CD1-CD1 3.58Å
177D96.8Very high96.4Very high12 Ų1242.2 Ų42.26%0.06421%0.206CC..  trans-71.5150.6172.5-65.9-35.7000110.3P11 Q175 G184 S221 Y222P11-D177 HydrophobicContact CB-CB 4.38Å; P11-D177 HydrophobicContact CG-CB 4.1Å; P11-D177 PolarHBondContact O-N 3.27Å; Q175-D177 PolarHBondContact NE2-OD1 3.34Å; D177-G184 WeakPolarHBondContact O-CA 3.38Å; D177-S221 WeakPolarHBondContact OD1-CB 3.31Å; D177-Y222 PolarHBondContact OD1-N 3.07Å; D177-Y222 WeakPolarHBondContact OD2-CD2 3.36Å
178G95.7Very high96.5Very high4 Ų439.6 Ų39.64%0.04119%0.191CC..  trans178.9-172.7-178.300000112.9R183 S224G178-R183 CarbonylContact C-O 3.58Å; G178-R183 VanDerWaalsContact CA-O 3.24Å; G178-R183 WeakPolarHBondContact CA-O 3.21Å; G178-S224 VanDerWaalsContact O-CB 3.25Å; G178-S224 WeakPolarHBondContact O-CB 3.45Å
179Q96.1Very high96.6Very high30 Ų3035.8 Ų35.814%0.1417%0.173CC..BIsolated β-bridgetrans-155.4129.4170.9177.6166.33.200107.2D181 K182 R183Q179-D181 PolarHBondContact O-N 2.89Å; Q179-K182 HydrophobicContact CB-CB 4.29Å; Q179-K182 HydrophobicContact CG-CB 4.42Å; Q179-K182 HydrophobicContact CG-CD 4.28Å; Q179-K182 PolarHBondContact O-N 3.1Å; Q179-R183 PolarHBondContact N-O 2.96Å; Q179-R183 PolarHBondContact O-N 2.78Å; Q179-R183 VanDerWaalsContact O-O 3.06Å
180T95.9Very high96.7Very high43 Ų4334.2 Ų34.226%0.26416%0.157SC..THydrogen-bonded Turntrans-48.2132.1-178.4-48.60000110.9T147 V156 V157 S158 K182T147-T180 HydrophobicContact CG2-CG2 4.46Å; V156-T180 HydrophobicContact CG1-CG2 4.35Å; V156-T180 HydrophobicContact CG2-CG2 3.81Å; V157-T180 CarbonylContact O-C 3.57Å; V157-T180 VanDerWaalsContact O-CA 3.3Å; V157-T180 WeakPolarHBondContact O-CA 3.35Å; S158-T180 WeakPolarHBondContact OG-CA 3.31Å; S158-T180 PolarHBondContact OG-N 2.9Å; S158-T180 PolarHBondContact OG-OG1 3.44Å; T180-K182 PolarHBondContact O-N 2.67Å
181D94.9Very high96.8Very high100 Ų10030.7 Ų30.754%0.53514%0.144SC..THydrogen-bonded Turntrans65.47.5-177.9-63-62.2000116.2Y152 V156 V157 Q179Y152-D181 PolarHBondContact OH-OD1 2.82Å; Y152-D181 PolarHBondContact OH-OD2 3.43Å; V156-D181 WeakPolarHBondContact CG2-OD1 3.5Å; V157-D181 PolarHBondContact O-N 2.96Å; Q179-D181 PolarHBondContact O-N 2.89Å
182K94.4Very high96.7Very high151 Ų15135 Ų3566%0.65716%0.164SC*.THydrogen-bonded Turntrans-130.5-50.1-175.8-61.6-171.3-179.6-175.90114.1Q179 T180Q179-K182 HydrophobicContact CB-CB 4.29Å; Q179-K182 HydrophobicContact CG-CB 4.42Å; Q179-K182 HydrophobicContact CG-CD 4.28Å; Q179-K182 PolarHBondContact O-N 3.1Å; T180-K182 PolarHBondContact O-N 2.67Å
183R94.1Very high96.6Very high136 Ų13635 Ų3551%0.51316%0.164SC..BIsolated β-bridgetrans-149.4158.4-168.3-61.9179.6-64.3158.45.2110.8S158 G178 Q179S158-R183 CarbonylContact C-O 3.57Å; S158-R183 WeakPolarHBondContact CA-O 3.41Å; G178-R183 CarbonylContact C-O 3.58Å; G178-R183 VanDerWaalsContact CA-O 3.24Å; G178-R183 WeakPolarHBondContact CA-O 3.21Å; Q179-R183 PolarHBondContact N-O 2.96Å; Q179-R183 PolarHBondContact O-N 2.78Å; Q179-R183 VanDerWaalsContact O-O 3.06Å
184G94.8Very high96.5Very high9 Ų935.1 Ų35.19%0.09316%0.164CC..SBendtrans97.5-155.9-179.300000111.2F10 S158 D177F10-G184 WeakPolarHBondContact CE1-O 3.41Å; S158-G184 CarbonylContact O-C 3.55Å; S158-G184 WeakPolarHBondContact O-CA 3.32Å; D177-G184 WeakPolarHBondContact O-CA 3.38Å
185M95.9Very high96.5Very high2 Ų239.6 Ų39.61%0.0118%0.183CC..BIsolated β-bridgetrans-121.8149.2-171.5-65170.877.100110.6F5 F10 S158 R160 F174 I176 Q189 V190 F193F5-M185 HydrophobicContact CD1-CE 4.16Å; F5-M185 HydrophobicContact CG-CE 4.43Å; F10-M185 HydrophobicContact CB-SD 4.36Å; F10-M185 HydrophobicContact CD1-CG 3.83Å; F10-M185 HydrophobicContact CD2-CG 4.17Å; F10-M185 HydrophobicContact CD2-SD 4.15Å; F10-M185 HydrophobicContact CE1-CG 3.93Å; F10-M185 HydrophobicContact CE2-CG 4.24Å; F10-M185 HydrophobicContact CG-CG 3.96Å; F10-M185 HydrophobicContact CG-SD 4.11Å; F10-M185 HydrophobicContact CZ-CG 4.12Å; S158-M185 PolarHBondContact N-O 2.96Å; S158-M185 VanDerWaalsContact N-O 3.14Å; S158-M185 PolarHBondContact O-N 3.37Å; R160-M185 WeakPolarHBondContact CG-O 3.38Å; R160-M185 PolarHBondContact NE-O 3.21Å; F174-M185 HydrophobicContact CZ-SD 4.42Å; I176-M185 HydrophobicContact CD1-SD 4Å; I176-M185 HydrophobicContact CG1-CG 4.43Å; I176-M185 HydrophobicContact CG1-SD 4.01Å; I176-M185 HydrophobicContact CG2-CB 4.45Å; M185-Q189 HydrophobicContact CB-CB 4.1Å; M185-Q189 VanDerWaalsContact CE-C 3.41Å; M185-Q189 HydrophobicContact CE-CB 3.6Å; M185-Q189 VanDerWaalsContact CE-O 3.24Å; M185-Q189 WeakPolarHBondContact CE-O 3.05Å; M185-Q189 HydrophobicContact CG-CB 4.4Å; M185-V190 HydrophobicContact CB-CG2 3.76Å; M185-F193 HydrophobicContact CE-CB 3.92Å; M185-F193 HydrophobicContact CE-CG 4.45Å
186N97.1Very high96.3Very high29 Ų2944.6 Ų44.616%0.15521%0.21CC..  trans-83.9171.7163.770.123.6000110.4D155 V156 V157 W188 Q189 V190D155-N186 WeakPolarHBondContact O-CB 3.37Å; D155-N186 PolarHBondContact O-ND2 2.96Å; V156-N186 WeakPolarHBondContact O-CA 3.48Å; V156-N186 WeakPolarHBondContact O-CB 3.22Å; V157-N186 HydrophobicContact CG1-CB 4.34Å; N186-W188 VanDerWaalsContact C-N 3.29Å; N186-W188 PolarHBondContact O-N 2.84Å; N186-W188 WeakPolarHBondContact OD1-CB 3.31Å; N186-W188 PolarHBondContact OD1-N 3.41Å; N186-Q189 PolarHBondContact O-N 2.97Å; N186-Q189 VanDerWaalsContact OD1-CG 3.26Å; N186-Q189 WeakPolarHBondContact OD1-CG 3.11Å; N186-Q189 PolarHBondContact OD1-N 3.36Å; N186-Q189 PolarHBondContact OD1-OE1 3.02Å; N186-V190 WeakPolarHBondContact O-CG2 3.36Å; N186-V190 PolarHBondContact O-N 2.04Å
187L98.1Very high96.2Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-69-27.9-173.4-63-169000113.1I123 L125 I133 F153 V154 R160 V190 A191 N204I123-L187 HydrophobicContact CB-CD1 3.88Å; I123-L187 HydrophobicContact CG1-CD1 3.78Å; I123-L187 HydrophobicContact CG2-CD1 4.04Å; L125-L187 HydrophobicContact CD2-CB 3.98Å; L125-L187 HydrophobicContact CD2-CD1 4.46Å; L125-L187 HydrophobicContact CD2-CD2 4.31Å; L125-L187 HydrophobicContact CD2-CG 4.48Å; I133-L187 HydrophobicContact CD1-CB 4.08Å; I133-L187 WeakPolarHBondContact CD1-O 3.17Å; F153-L187 HydrophobicContact CD1-CD1 4.13Å; F153-L187 HydrophobicContact CE1-CD1 3.73Å; F153-L187 HydrophobicContact CZ-CD1 4.5Å; V154-L187 HydrophobicContact CG1-CB 4.39Å; V154-L187 HydrophobicContact CG2-CD1 4.07Å; V154-L187 PolarHBondContact O-N 2.98Å; R160-L187 HydrophobicContact CG-CD2 4.27Å; L187-V190 PolarHBondContact O-N 3.21Å; L187-A191 WeakPolarHBondContact O-CB 3.18Å; L187-A191 PolarHBondContact O-N 3.47Å; L187-N204 HydrophobicContact CD1-CB 4.38Å; L187-N204 HydrophobicContact CD2-CB 4.15Å; L187-N204 VanDerWaalsContact CD2-OD1 3.26Å; L187-N204 WeakPolarHBondContact CD2-OD1 3.34Å
188W97.9Very high96.1Very high69 Ų6947.7 Ų47.726%0.26123%0.233SC..Hα-helixtrans-61.7-49.4173.8-59.6103.7000111.7I131 I133 N134 V154 D155 N186 V190 A191 E192I131-W188 HydrophobicContact CG2-CE3 4.08Å; I131-W188 HydrophobicContact CG2-CZ3 3.94Å; I133-W188 HydrophobicContact CB-CE3 4.23Å; I133-W188 HydrophobicContact CB-CH2 3.68Å; I133-W188 HydrophobicContact CB-CZ2 4.18Å; I133-W188 HydrophobicContact CB-CZ3 3.73Å; I133-W188 HydrophobicContact CD1-CD2 3.95Å; I133-W188 HydrophobicContact CD1-CE3 3.74Å; I133-W188 HydrophobicContact CD1-CG 4.38Å; I133-W188 HydrophobicContact CD1-CZ3 4.13Å; I133-W188 HydrophobicContact CG1-CZ3 4.43Å; I133-W188 HydrophobicContact CG2-CD2 4.4Å; I133-W188 HydrophobicContact CG2-CE3 4.43Å; I133-W188 HydrophobicContact CG2-CH2 3.58Å; I133-W188 HydrophobicContact CG2-CZ2 3.55Å; I133-W188 HydrophobicContact CG2-CZ3 4.06Å; N134-W188 WeakPolarHBondContact OD1-CH2 3.41Å; V154-W188 HydrophobicContact CG1-CZ2 4.1Å; V154-W188 VanDerWaalsContact CG1-NE1 3.34Å; D155-W188 PolarHBondContact OD1-NE1 3.2Å; N186-W188 VanDerWaalsContact C-N 3.29Å; N186-W188 PolarHBondContact O-N 2.84Å; N186-W188 WeakPolarHBondContact OD1-CB 3.31Å; N186-W188 PolarHBondContact OD1-N 3.41Å; W188-V190 VanDerWaalsContact C-N 3.33Å; W188-V190 PolarHBondContact O-N 3.28Å; W188-A191 PolarHBondContact O-N 3.28Å; W188-E192 WeakPolarHBondContact O-CB 3.43Å; W188-E192 PolarHBondContact O-N 3.49Å
189Q97Very high96.2Very high47 Ų4747.6 Ų47.622%0.2223%0.231CC..Hα-helixtrans-64-39.7177.8-67.9170.3-41.200111.2F5 M185 N186 F193F5-Q189 HydrophobicContact CD1-CB 4.48Å; F5-Q189 HydrophobicContact CE1-CB 4.04Å; F5-Q189 HydrophobicContact CE1-CG 4.14Å; M185-Q189 HydrophobicContact CB-CB 4.1Å; M185-Q189 VanDerWaalsContact CE-C 3.41Å; M185-Q189 HydrophobicContact CE-CB 3.6Å; M185-Q189 VanDerWaalsContact CE-O 3.24Å; M185-Q189 WeakPolarHBondContact CE-O 3.05Å; M185-Q189 HydrophobicContact CG-CB 4.4Å; N186-Q189 PolarHBondContact O-N 2.97Å; N186-Q189 VanDerWaalsContact OD1-CG 3.26Å; N186-Q189 WeakPolarHBondContact OD1-CG 3.11Å; N186-Q189 PolarHBondContact OD1-N 3.36Å; N186-Q189 PolarHBondContact OD1-OE1 3.02Å; Q189-F193 VanDerWaalsContact O-CB 3.27Å; Q189-F193 WeakPolarHBondContact O-CB 3.47Å; Q189-F193 PolarHBondContact O-N 3.44Å
190V97.6Very high96.3Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-62.8-47.5175.8173.50000110.6L125 R160 F174 M185 N186 L187 W188 E192 F193 L194L125-V190 HydrophobicContact CD1-CG1 3.93Å; R160-V190 HydrophobicContact CB-CG2 4.07Å; R160-V190 HydrophobicContact CG-CG2 4.05Å; F174-V190 HydrophobicContact CD1-CG1 4.06Å; F174-V190 HydrophobicContact CE1-CG1 3.76Å; F174-V190 HydrophobicContact CE1-CG2 4.04Å; M185-V190 HydrophobicContact CB-CG2 3.76Å; N186-V190 WeakPolarHBondContact O-CG2 3.36Å; N186-V190 PolarHBondContact O-N 2.04Å; L187-V190 PolarHBondContact O-N 3.21Å; W188-V190 VanDerWaalsContact C-N 3.33Å; W188-V190 PolarHBondContact O-N 3.28Å; V190-E192 PolarHBondContact O-N 2.99Å; V190-F193 PolarHBondContact O-N 2.74Å; V190-L194 HydrophobicContact CG1-CD1 3.84Å; V190-L194 HydrophobicContact CG1-CG 4.24Å; V190-L194 WeakPolarHBondContact O-CB 3.33Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.42Å; V190-L194 PolarHBondContact O-N 2.67Å
191A98.3Very high96.5Very high0 Ų045.9 Ų45.90%022%0.222CC..Hα-helixtrans-62.6-43.3179.900000111.9L125 L126 I131 I133 L187 W188 L194 K195L125-A191 HydrophobicContact CB-CB 4.15Å; L125-A191 HydrophobicContact CD2-CB 4.37Å; L126-A191 HydrophobicContact CD2-CB 4.23Å; I131-A191 HydrophobicContact CD1-CB 4.42Å; I131-A191 HydrophobicContact CG1-CB 4.07Å; I131-A191 HydrophobicContact CG2-CB 4.11Å; I133-A191 HydrophobicContact CD1-CB 3.88Å; L187-A191 WeakPolarHBondContact O-CB 3.18Å; L187-A191 PolarHBondContact O-N 3.47Å; W188-A191 PolarHBondContact O-N 3.28Å; A191-L194 PolarHBondContact O-N 2.95Å; A191-K195 VanDerWaalsContact O-CB 3.24Å; A191-K195 WeakPolarHBondContact O-CB 3.31Å; A191-K195 PolarHBondContact O-N 3.01Å
192E97.1Very high96.7Very high91 Ų9141.1 Ų41.143%0.42520%0.197SC..Hα-helixtrans-63.1-45.7176.1-169.9168.5-143.700111.5F5 I131 W188 V190 L194 K195 D196F5-E192 HydrophobicContact CE2-CG 4.23Å; F5-E192 HydrophobicContact CZ-CB 3.86Å; F5-E192 HydrophobicContact CZ-CG 3.74Å; F5-E192 WeakPolarHBondContact CZ-OE2 3.5Å; I131-E192 HydrophobicContact CD1-CB 4.31Å; W188-E192 WeakPolarHBondContact O-CB 3.43Å; W188-E192 PolarHBondContact O-N 3.49Å; V190-E192 PolarHBondContact O-N 2.99Å; E192-L194 PolarHBondContact O-N 3.49Å; E192-K195 WeakPolarHBondContact O-CB 3.35Å; E192-K195 PolarHBondContact O-N 2.91Å; E192-D196 WeakPolarHBondContact O-CB 3.23Å; E192-D196 VanDerWaalsContact O-CG 3.29Å; E192-D196 PolarHBondContact O-N 2.82Å
193F95.6Very high96.9Very high9 Ų933.9 Ų33.94%0.03917%0.165CC..Hα-helixtrans-59-47.6175.7-177.9-88.9000112.6T3 F5 M14 F174 M185 Q189 V190 K195 D196 N197 L422T3-F193 HydrophobicContact CG2-CE2 4.33Å; F5-F193 HydrophobicContact CD2-CB 4.29Å; F5-F193 AromaticContact CD2-CD2 3.85Å; F5-F193 HydrophobicContact CD2-CD2 3.85Å; F5-F193 HydrophobicContact CE2-CB 4.2Å; F5-F193 HydrophobicContact CE2-CD2 4.48Å; F5-F193 HydrophobicContact CG-CD2 4.4Å; M14-F193 HydrophobicContact CE-CE1 3.98Å; F174-F193 HydrophobicContact CD2-CD1 4.34Å; F174-F193 HydrophobicContact CD2-CE1 4.26Å; F174-F193 AromaticContact CE2-CD1 3.68Å; F174-F193 HydrophobicContact CE2-CD1 3.68Å; F174-F193 AromaticContact CE2-CE1 3.73Å; F174-F193 HydrophobicContact CE2-CE1 3.73Å; F174-F193 HydrophobicContact CZ-CD1 4.3Å; M185-F193 HydrophobicContact CE-CB 3.92Å; M185-F193 HydrophobicContact CE-CG 4.45Å; Q189-F193 VanDerWaalsContact O-CB 3.27Å; Q189-F193 WeakPolarHBondContact O-CB 3.47Å; Q189-F193 PolarHBondContact O-N 3.44Å; V190-F193 PolarHBondContact O-N 2.74Å; F193-K195 VanDerWaalsContact C-N 3.32Å; F193-K195 PolarHBondContact O-N 3.17Å; F193-D196 PolarHBondContact O-N 3.49Å; F193-N197 WeakPolarHBondContact CE1-ND2 3.32Å; F193-N197 WeakPolarHBondContact CZ-ND2 3.25Å; F193-N197 PolarHBondContact O-N 3.27Å; F193-N197 VanDerWaalsContact O-N 3.16Å; F193-N197 PolarHBondContact O-ND2 2.76Å; F193-L422 HydrophobicContact CE1-CD2 3.87Å; F193-L422 HydrophobicContact CZ-CD2 3.77Å
194L96.8Very high97.1Very high3 Ų327.5 Ų27.52%0.01614%0.141CC..Hα-helixtrans-63.2-40.9178.8-69.3176.4000111.3M14 L125 L126 A162 F174 V190 A191 E192 N197 G198 V199 A202M14-L194 HydrophobicContact CE-CD2 3.58Å; L125-L194 HydrophobicContact CD1-CD1 3.96Å; L126-L194 HydrophobicContact CD1-CB 3.66Å; A162-L194 HydrophobicContact CB-CD1 4.06Å; F174-L194 HydrophobicContact CB-CD2 3.85Å; F174-L194 HydrophobicContact CD1-CD2 4.49Å; F174-L194 HydrophobicContact CD2-CD2 3.94Å; F174-L194 HydrophobicContact CG-CD2 3.84Å; V190-L194 HydrophobicContact CG1-CD1 3.84Å; V190-L194 HydrophobicContact CG1-CG 4.24Å; V190-L194 WeakPolarHBondContact O-CB 3.33Å; V190-L194 VanDerWaalsContact O-CG 3.27Å; V190-L194 WeakPolarHBondContact O-CG 3.42Å; V190-L194 PolarHBondContact O-N 2.67Å; A191-L194 PolarHBondContact O-N 2.95Å; E192-L194 PolarHBondContact O-N 3.49Å; L194-N197 CarbonylContact O-C 3.54Å; L194-N197 PolarHBondContact O-N 3.07Å; L194-G198 PolarHBondContact O-N 2.8Å; L194-V199 HydrophobicContact CB-CB 4.05Å; L194-V199 HydrophobicContact CB-CG1 4.48Å; L194-V199 HydrophobicContact CB-CG2 4.05Å; L194-V199 HydrophobicContact CD2-CG2 4.15Å; L194-V199 VanDerWaalsContact O-CB 3.24Å; L194-V199 WeakPolarHBondContact O-CB 3.46Å; L194-V199 VanDerWaalsContact O-CG2 3.26Å; L194-V199 WeakPolarHBondContact O-CG2 3.5Å; L194-V199 PolarHBondContact O-N 3.1Å; L194-V199 VanDerWaalsContact O-N 3.08Å; L194-A202 HydrophobicContact CD1-CB 3.88Å
195K96.9Very high97.3Very high95 Ų9527 Ų2741%0.41314%0.137SC..Hα-helixtrans-62.4-46.6178179.2-171.7168.9-154.40111.4L126 R129 I131 A191 E192 F193 N197 G198L126-K195 HydrophobicContact CD1-CB 4.07Å; L126-K195 HydrophobicContact CD2-CB 3.9Å; R129-K195 WeakPolarHBondContact O-CD 3.3Å; R129-K195 WeakPolarHBondContact O-CE 3.46Å; I131-K195 HydrophobicContact CG1-CD 4.44Å; A191-K195 VanDerWaalsContact O-CB 3.24Å; A191-K195 WeakPolarHBondContact O-CB 3.31Å; A191-K195 PolarHBondContact O-N 3.01Å; E192-K195 WeakPolarHBondContact O-CB 3.35Å; E192-K195 PolarHBondContact O-N 2.91Å; F193-K195 VanDerWaalsContact C-N 3.32Å; F193-K195 PolarHBondContact O-N 3.17Å; K195-N197 PolarHBondContact O-N 3.43Å; K195-G198 PolarHBondContact O-N 3.02Å
196D94.9Very high97.4Very high106 Ų10627.9 Ų27.957%0.56714%0.141SC*.Hα-helixtrans-64.2-22.6178.6-70.2-11.1000112.2E192 F193E192-D196 WeakPolarHBondContact O-CB 3.23Å; E192-D196 VanDerWaalsContact O-CG 3.29Å; E192-D196 PolarHBondContact O-N 2.82Å; F193-D196 PolarHBondContact O-N 3.49Å
197N94.1Very high97.4Very high53 Ų5326.7 Ų26.728%0.28314%0.136SC..THydrogen-bonded Turntrans-94.717.9174.7-75.5-84.2000113.7M14 F193 L194 K195 V199 I425M14-N197 HydrophobicContact CE-CB 4.11Å; M14-N197 HydrophobicContact SD-CB 4.43Å; F193-N197 WeakPolarHBondContact CE1-ND2 3.32Å; F193-N197 WeakPolarHBondContact CZ-ND2 3.25Å; F193-N197 PolarHBondContact O-N 3.27Å; F193-N197 VanDerWaalsContact O-N 3.16Å; F193-N197 PolarHBondContact O-ND2 2.76Å; L194-N197 CarbonylContact O-C 3.54Å; L194-N197 PolarHBondContact O-N 3.07Å; K195-N197 PolarHBondContact O-N 3.43Å; N197-V199 PolarHBondContact O-N 3.14Å; N197-I425 WeakPolarHBondContact OD1-CG2 3.06Å
198G95.5Very high97.3Very high25 Ų2527.2 Ų27.226%0.25814%0.141SC..THydrogen-bonded Turntrans81.77.7169.700000115.6L194 K195 V200L194-G198 PolarHBondContact O-N 2.8Å; K195-G198 PolarHBondContact O-N 3.02Å; G198-V200 PolarHBondContact O-N 2.97Å
199V98.1Very high97.2Very high2 Ų224.1 Ų24.11%0.01213%0.131CC..  trans-69130.3177.3-176.30000110.3L126 H165 I172 L194 N197 N201 A202L126-V199 HydrophobicContact CD1-CB 4.03Å; L126-V199 HydrophobicContact CD1-CG1 4.11Å; H165-V199 WeakPolarHBondContact O-CG1 3.31Å; I172-V199 HydrophobicContact CB-CG2 4.46Å; I172-V199 HydrophobicContact CG1-CG2 4.21Å; I172-V199 HydrophobicContact CG2-CG2 4.2Å; L194-V199 HydrophobicContact CB-CB 4.05Å; L194-V199 HydrophobicContact CB-CG1 4.48Å; L194-V199 HydrophobicContact CB-CG2 4.05Å; L194-V199 HydrophobicContact CD2-CG2 4.15Å; L194-V199 VanDerWaalsContact O-CB 3.24Å; L194-V199 WeakPolarHBondContact O-CB 3.46Å; L194-V199 VanDerWaalsContact O-CG2 3.26Å; L194-V199 WeakPolarHBondContact O-CG2 3.5Å; L194-V199 PolarHBondContact O-N 3.1Å; L194-V199 VanDerWaalsContact O-N 3.08Å; N197-V199 PolarHBondContact O-N 3.14Å; V199-N201 WeakPolarHBondContact CG1-O 3.2Å; V199-A202 HydrophobicContact CG1-CB 3.87Å
200V98.3Very high97.3Very high17 Ų1721.9 Ų21.910%0.10312%0.12CC..SBendtrans-89.7-57.2-175.5179.90000111D128 R129 H165 E167 G198D128-V200 PolarHBondContact N-O 3.46Å; R129-V200 HydrophobicContact CG-CB 4.34Å; R129-V200 HydrophobicContact CG-CG1 4.35Å; R129-V200 HydrophobicContact CG-CG2 4.15Å; R129-V200 PolarHBondContact N-O 2.8Å; H165-V200 PolarHBondContact O-N 3.37Å; E167-V200 HydrophobicContact CB-CG2 4.4Å; E167-V200 HydrophobicContact CG-CG2 3.6Å; G198-V200 PolarHBondContact O-N 2.97Å
201N98.8Very high97.3Very high19 Ų1922 Ų2210%0.10212%0.121CC..EExtended strand (participates in β ladder)trans-122.7142.2172.6-60.3-72.7000110.2F100 L126 R127 D128 G164 H165 V199F100-N201 HydrophobicContact CB-CB 3.79Å; F100-N201 HydrophobicContact CD1-CB 4.41Å; F100-N201 HydrophobicContact CD2-CB 4.02Å; F100-N201 HydrophobicContact CG-CB 3.82Å; L126-N201 WeakPolarHBondContact O-CA 3.33Å; R127-N201 VanDerWaalsContact CA-OD1 3.31Å; R127-N201 WeakPolarHBondContact CA-OD1 3.1Å; D128-N201 PolarHBondContact N-OD1 2.78Å; G164-N201 CarbonylContact C-O 3.44Å; G164-N201 WeakPolarHBondContact CA-O 3.08Å; H165-N201 PolarHBondContact N-O 3.36Å; H165-N201 WeakPolarHBondContact NE2-CB 3.29Å; H165-N201 PolarHBondContact NE2-ND2 3.3Å; V199-N201 WeakPolarHBondContact CG1-O 3.2Å
202A98.8Very high97.3Very high0 Ų022 Ų220%012%0.121CC..EExtended strand (participates in β ladder)trans-154.5143.9175.900000112.1L125 L126 V163 L194 V199L125-A202 WeakPolarHBondContact CA-O 3.32Å; L125-A202 HydrophobicContact CB-CB 4.37Å; L125-A202 WeakPolarHBondContact CB-O 3.42Å; L125-A202 PolarHBondContact N-O 3.02Å; L126-A202 HydrophobicContact CB-CB 4.29Å; L126-A202 HydrophobicContact CD1-CB 4.4Å; L126-A202 PolarHBondContact N-O 2.63Å; L126-A202 VanDerWaalsContact N-O 3.13Å; L126-A202 PolarHBondContact O-N 3.05Å; L126-A202 VanDerWaalsContact O-N 3.07Å; V163-A202 CarbonylContact O-C 3.32Å; V163-A202 VanDerWaalsContact O-CA 3.24Å; V163-A202 WeakPolarHBondContact O-CA 3.47Å; L194-A202 HydrophobicContact CD1-CB 3.88Å; V199-A202 HydrophobicContact CG1-CB 3.87Å
203I98.8Very high97.4Very high0 Ų017.6 Ų17.60%010%0.1CC..EExtended strand (participates in β ladder)trans-117.3150.8171.965157.7000110.3A88 F90 F100 W124 A162 V163 L205A88-I203 HydrophobicContact CB-CB 4.01Å; A88-I203 HydrophobicContact CB-CG2 3.67Å; F90-I203 HydrophobicContact CB-CD1 3.65Å; F90-I203 HydrophobicContact CB-CG1 4.02Å; F100-I203 HydrophobicContact CD1-CG2 4.17Å; W124-I203 HydrophobicContact CG-CG2 4.34Å; A162-I203 VanDerWaalsContact CA-O 3.31Å; A162-I203 WeakPolarHBondContact CA-O 3.43Å; A162-I203 VanDerWaalsContact CB-O 3.32Å; A162-I203 WeakPolarHBondContact CB-O 2.96Å; V163-I203 HydrophobicContact CG1-CD1 4.15Å; V163-I203 HydrophobicContact CG1-CG1 3.65Å; V163-I203 PolarHBondContact N-O 3.47Å; V163-I203 VanDerWaalsContact N-O 3.12Å; V163-I203 PolarHBondContact O-N 2.99Å; I203-L205 HydrophobicContact CD1-CD2 4.01Å
204N98.8Very high97.5Very high1 Ų117.2 Ų17.21%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-83.9137.6172.1165.388.7000110.4G121 V122 I123 L125 F153 T161 L187G121-N204 CarbonylContact C-O 3.58Å; G121-N204 WeakPolarHBondContact CA-O 2.76Å; V122-N204 PolarHBondContact N-O 3.42Å; V122-N204 VanDerWaalsContact O-CB 3.24Å; V122-N204 WeakPolarHBondContact O-CB 3.42Å; V122-N204 PolarHBondContact O-ND2 2.84Å; I123-N204 PolarHBondContact O-N 3.29Å; L125-N204 HydrophobicContact CD1-CB 3.9Å; L125-N204 HydrophobicContact CD2-CB 4.01Å; L125-N204 HydrophobicContact CG-CB 3.91Å; F153-N204 WeakPolarHBondContact CZ-ND2 3.11Å; T161-N204 PolarHBondContact O-OD1 2.86Å; L187-N204 HydrophobicContact CD1-CB 4.38Å; L187-N204 HydrophobicContact CD2-CB 4.15Å; L187-N204 VanDerWaalsContact CD2-OD1 3.26Å; L187-N204 WeakPolarHBondContact CD2-OD1 3.34Å
205L98.6Very high97.4Very high0 Ų019 Ų190%011%0.11CC..  trans-109.7-172.4177-65.5176.8000110.1F60 V119 T161 V163 I203 L243F60-L205 VanDerWaalsContact CZ-C 3.48Å; F60-L205 WeakPolarHBondContact CZ-O 3.43Å; V119-L205 HydrophobicContact CG1-CD2 4.33Å; T161-L205 PolarHBondContact O-N 3.12Å; T161-L205 VanDerWaalsContact OG1-CB 3.31Å; T161-L205 WeakPolarHBondContact OG1-CB 2.82Å; V163-L205 HydrophobicContact CB-CD1 4.04Å; V163-L205 HydrophobicContact CG1-CD1 3.82Å; V163-L205 HydrophobicContact CG1-CD2 4.3Å; V163-L205 HydrophobicContact CG1-CG 4.12Å; I203-L205 HydrophobicContact CD1-CD2 4.01Å; L205-L243 HydrophobicContact CD1-CD1 3.42Å; L205-L243 VanDerWaalsContact CD1-CD1 3.42Å
206D98.1Very high97.2Very high19 Ų1919.7 Ų19.710%0.10212%0.118CC..  trans-63.5139.7-177.7-170.214.4000111.9N57 G58 F60 F61 T161 S210N57-D206 PolarHBondContact ND2-O 3.45Å; G58-D206 PolarHBondContact O-N 3.02Å; F60-D206 HydrophobicContact CD1-CB 3.93Å; F60-D206 HydrophobicContact CD2-CB 4.5Å; F60-D206 HydrophobicContact CE1-CB 3.82Å; F60-D206 WeakPolarHBondContact CE1-OD1 3.42Å; F60-D206 HydrophobicContact CE2-CB 4.41Å; F60-D206 HydrophobicContact CG-CB 4.26Å; F60-D206 VanDerWaalsContact CZ-CA 3.41Å; F60-D206 HydrophobicContact CZ-CB 4.07Å; F61-D206 WeakPolarHBondContact CE1-OD2 3.27Å; T161-D206 PolarHBondContact OG1-O 3.41Å; D206-S210 VanDerWaalsContact CG-CB 3.43Å; D206-S210 WeakPolarHBondContact OD2-CB 3.19Å; D206-S210 PolarHBondContact OD2-OG 2.83Å
207G97.3Very high97Very high5 Ų515.4 Ų15.45%0.05210%0.099CC..  trans-127.4-152.3-170.400000112.6A159 G209 S210 S211A159-G207 CarbonylContact O-C 3.53Å; A159-G207 WeakPolarHBondContact O-CA 3.2Å; G207-G209 PolarHBondContact O-N 2.8Å; G207-S210 WeakPolarHBondContact O-CB 3.34Å; G207-S210 PolarHBondContact O-N 2.74Å; G207-S211 PolarHBondContact O-N 3.29Å
208G95.9Very high97Very high10 Ų1016.5 Ų16.510%0.10311%0.111CC..G310 helixtrans51.9-128.5178.900000112.4S158 A159 S210 S211S158-G208 WeakPolarHBondContact OG-CA 3.39Å; A159-G208 WeakPolarHBondContact CB-O 3.34Å; A159-G208 PolarHBondContact O-N 3.47Å; G208-S210 PolarHBondContact O-N 3.11Å; G208-S211 WeakPolarHBondContact O-CB 3.49Å; G208-S211 PolarHBondContact O-N 3.33Å
209G96.2Very high97.1Very high4 Ų418.5 Ų18.54%0.04112%0.115CC..G310 helixtrans-65.3-20.6178.900000115G207 S224 D225 R237G207-G209 PolarHBondContact O-N 2.8Å; G209-S224 WeakPolarHBondContact CA-OG 3.31Å; G209-S224 PolarHBondContact N-OG 2.79Å; G209-D225 WeakPolarHBondContact CA-OD1 3.29Å; G209-R237 VanDerWaalsContact O-CB 3.22Å; G209-R237 WeakPolarHBondContact O-CB 3.37Å
210S98.1Very high97Very high0 Ų020.1 Ų20.10%013%0.129CC..G310 helixtrans-79.1-23.8177-55.20000112.6N57 D206 G207 G208 T212 R237N57-S210 WeakPolarHBondContact CB-O 3.26Å; N57-S210 PolarHBondContact OD1-O 3.28Å; N57-S210 VanDerWaalsContact OD1-O 3.05Å; D206-S210 VanDerWaalsContact CG-CB 3.43Å; D206-S210 WeakPolarHBondContact OD2-CB 3.19Å; D206-S210 PolarHBondContact OD2-OG 2.83Å; G207-S210 WeakPolarHBondContact O-CB 3.34Å; G207-S210 PolarHBondContact O-N 2.74Å; G208-S210 PolarHBondContact O-N 3.11Å; S210-T212 PolarHBondContact O-N 3.23Å; S210-T212 PolarHBondContact O-OG1 2.85Å; S210-R237 WeakPolarHBondContact OG-CD 3.07Å; S210-R237 PolarHBondContact OG-NH1 3.31Å
211S98.1Very high96.9Very high2 Ų219.7 Ų19.71%0.01413%0.126CC..  trans-56.1107.9-178.9-178.30000110.8N57 Q175 I176 G207 G208N57-S211 VanDerWaalsContact OD1-CA 3.32Å; N57-S211 WeakPolarHBondContact OD1-CA 3.42Å; Q175-S211 PolarHBondContact NE2-OG 3.47Å; I176-S211 PolarHBondContact O-OG 3.5Å; G207-S211 PolarHBondContact O-N 3.29Å; G208-S211 WeakPolarHBondContact O-CB 3.49Å; G208-S211 PolarHBondContact O-N 3.33Å
212T98.5Very high96.8Very high0 Ų026.3 Ų26.30%015%0.151CC..  trans-140.5135.3-174.2-52.50000109.3V43 Q56 N57 S210 V214 L219V43-T212 HydrophobicContact CB-CG2 3.84Å; V43-T212 HydrophobicContact CG2-CG2 3.93Å; Q56-T212 WeakPolarHBondContact CA-O 3.44Å; Q56-T212 WeakPolarHBondContact CB-O 3.44Å; N57-T212 PolarHBondContact N-O 2.93Å; N57-T212 PolarHBondContact OD1-N 2.81Å; S210-T212 PolarHBondContact O-N 3.23Å; S210-T212 PolarHBondContact O-OG1 2.85Å; T212-V214 HydrophobicContact CG2-CG2 4.18Å; T212-L219 HydrophobicContact CG2-CD1 3.64Å
213Y98.4Very high96.7Very high0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-128.1130.4174.4-167.2-100.3000109.8H13 T15 Y54 A55 Q56 Q175 V215 A220 S221 Y419H13-Y213 HydrophobicContact CB-CD1 3.92Å; H13-Y213 HydrophobicContact CB-CD2 4.15Å; H13-Y213 HydrophobicContact CB-CE1 3.79Å; H13-Y213 HydrophobicContact CB-CE2 4.01Å; H13-Y213 HydrophobicContact CB-CG 4.1Å; H13-Y213 AromaticContact CD2-CD1 3.5Å; H13-Y213 VanDerWaalsContact CD2-CD1 3.5Å; H13-Y213 WeakPolarHBondContact CD2-CD1 3.25Å; H13-Y213 AromaticContact CD2-CE1 3.47Å; H13-Y213 VanDerWaalsContact CD2-CE1 3.47Å; H13-Y213 WeakPolarHBondContact CD2-CE1 3.3Å; H13-Y213 AromaticContact CG-CD1 3.48Å; H13-Y213 VanDerWaalsContact CG-CD1 3.48Å; H13-Y213 AromaticContact CG-CE1 3.65Å; H13-Y213 AromaticContact CG-CG 3.95Å; H13-Y213 AromaticContact ND1-CD1 3.81Å; H13-Y213 AromaticContact NE2-CD1 3.95Å; T15-Y213 WeakPolarHBondContact OG1-CE2 3.29Å; T15-Y213 PolarHBondContact OG1-OH 2.71Å; Y54-Y213 HydrophobicContact CD1-CE1 4.27Å; Y54-Y213 AromaticContact CD1-CZ 3.96Å; Y54-Y213 WeakPolarHBondContact CD1-OH 3.4Å; A55-Y213 WeakPolarHBondContact O-CA 3.4Å; Q56-Y213 HydrophobicContact CB-CD2 4.26Å; Q175-Y213 HydrophobicContact CB-CD2 4.14Å; Y213-V215 HydrophobicContact CD1-CG2 4.08Å; Y213-V215 HydrophobicContact CE1-CG2 3.61Å; Y213-A220 HydrophobicContact CD1-CB 4.14Å; Y213-A220 PolarHBondContact O-N 2.84Å; Y213-S221 PolarHBondContact N-OG 2.84Å; Y213-S221 PolarHBondContact O-N 2.93Å; Y213-Y419 HydrophobicContact CE1-CE2 4.22Å
214V98Very high96.6Very high1 Ų127 Ų271%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-125.4136-173.6173.40000109.1V43 E44 A47 Y54 A55 T212 S218V43-V214 HydrophobicContact CB-CG2 4.04Å; V43-V214 HydrophobicContact CG1-CB 4.3Å; V43-V214 HydrophobicContact CG1-CG2 3.7Å; E44-V214 HydrophobicContact CB-CG2 4.48Å; E44-V214 HydrophobicContact CG-CG2 3.64Å; A47-V214 HydrophobicContact CB-CG1 4.18Å; Y54-V214 CarbonylContact C-O 3.58Å; Y54-V214 WeakPolarHBondContact CA-O 3.41Å; A55-V214 HydrophobicContact CB-CB 4.28Å; A55-V214 PolarHBondContact N-O 3.48Å; A55-V214 PolarHBondContact O-N 3.49Å; T212-V214 HydrophobicContact CG2-CG2 4.18Å; V214-S218 CarbonylContact C-O 3.51Å; V214-S218 WeakPolarHBondContact CA-O 3.44Å; V214-S218 WeakPolarHBondContact CG1-O 3.38Å
215V96.2Very high96.5Very high40 Ų4029.1 Ų29.124%0.24217%0.167CC..EExtended strand (participates in β ladder)trans-123123.4175.5-177.80000108.3Y54 Y213 G217 S218 A220Y54-V215 HydrophobicContact CD1-CB 4.45Å; Y54-V215 HydrophobicContact CD1-CG1 4.24Å; Y54-V215 HydrophobicContact CD1-CG2 3.91Å; Y54-V215 HydrophobicContact CE1-CB 4.45Å; Y54-V215 HydrophobicContact CE1-CG1 3.83Å; Y54-V215 HydrophobicContact CE1-CG2 4Å; Y213-V215 HydrophobicContact CD1-CG2 4.08Å; Y213-V215 HydrophobicContact CE1-CG2 3.61Å; V215-G217 PolarHBondContact O-N 3.32Å; V215-S218 PolarHBondContact N-O 3.21Å; V215-S218 PolarHBondContact O-N 3.02Å; V215-A220 HydrophobicContact CB-CB 4.24Å; V215-A220 HydrophobicContact CG2-CB 3.64Å
216N92.4Very high96.4Very high110 Ų11033.5 Ų33.559%0.58819%0.188SC*.THydrogen-bonded Turntrans47.944.8-177.9-66.2-27.4000112.9L53 S218L53-N216 PolarHBondContact O-N 3.26Å; N216-S218 VanDerWaalsContact C-N 3.25Å; N216-S218 PolarHBondContact O-N 3.02Å
217G89.8Confident96.3Very high16 Ų1633.2 Ų33.217%0.16519%0.187CC..THydrogen-bonded Turntrans72.37.7-18000000115.8V215V215-G217 PolarHBondContact O-N 3.32Å
218S94.9Very high96Very high76 Ų7641.6 Ų41.653%0.53123%0.229SC..EExtended strand (participates in β ladder)trans-113.6139.8176.1-56.60000111.7V214 V215 N216 A220V214-S218 CarbonylContact C-O 3.51Å; V214-S218 WeakPolarHBondContact CA-O 3.44Å; V214-S218 WeakPolarHBondContact CG1-O 3.38Å; V215-S218 PolarHBondContact N-O 3.21Å; V215-S218 PolarHBondContact O-N 3.02Å; N216-S218 VanDerWaalsContact C-N 3.25Å; N216-S218 PolarHBondContact O-N 3.02Å; S218-A220 PolarHBondContact O-N 3.46Å
219L96.9Very high95.9Very high66 Ų6646.7 Ų46.735%0.34626%0.263SS..EExtended strand (participates in β ladder)trans-57.8128.7175.3-173.463.1000111.7E44 T212 P223E44-L219 HydrophobicContact CG-CB 4.28Å; T212-L219 HydrophobicContact CG2-CD1 3.64Å; L219-P223 HydrophobicContact CD1-CG 4.22Å; L219-P223 HydrophobicContact CD2-CG 3.94Å
220A96.4Very high95.8Very high37 Ų3748.4 Ų48.431%0.30627%0.271SS..  trans-1260.6-179.400000113.6H13 Y213 V215 S218H13-A220 PolarHBondContact CE1-O 3.49Å; H13-A220 PolarHBondContact NE2-O 3.09Å; Y213-A220 HydrophobicContact CD1-CB 4.14Å; Y213-A220 PolarHBondContact O-N 2.84Å; V215-A220 HydrophobicContact CB-CB 4.24Å; V215-A220 HydrophobicContact CG2-CB 3.64Å; S218-A220 PolarHBondContact O-N 3.46Å
221S96.1Very high95.6Very high7 Ų752.6 Ų52.65%0.04930%0.3CS..SBendtrans-106176.5172.860.60000112.3D177 Y213 P223D177-S221 WeakPolarHBondContact OD1-CB 3.31Å; Y213-S221 PolarHBondContact N-OG 2.84Å; Y213-S221 PolarHBondContact O-N 2.93Å; S221-P223 WeakPolarHBondContact O-CD 3.43Å
222Y96.6Very high95.4Very high158 Ų15861.7 Ų61.762%0.6233%0.334SS*.  trans-111.793.2171.1-67.8-77.1000110.8D177D177-Y222 PolarHBondContact OD1-N 3.07Å; D177-Y222 WeakPolarHBondContact OD2-CD2 3.36Å
223P97.3Very high95.3Very high7 Ų769.7 Ų69.75%0.04536%0.364CS..  trans-56.4152179.4-2634.7000113.4L219 S221 R234 C235L219-P223 HydrophobicContact CD1-CG 4.22Å; L219-P223 HydrophobicContact CD2-CG 3.94Å; S221-P223 WeakPolarHBondContact O-CD 3.43Å; P223-R234 WeakPolarHBondContact O-CB 3.03Å; P223-C235 VanDerWaalsContact CB-O 3.31Å; P223-C235 WeakPolarHBondContact CB-O 3.26Å
224S96.5Very high95.3Very high9 Ų974.2 Ų74.26%0.06338%0.381CS..SBendtrans-90.4-20.5179.976.10000114G178 G209 R234G178-S224 VanDerWaalsContact O-CB 3.25Å; G178-S224 WeakPolarHBondContact O-CB 3.45Å; G209-S224 WeakPolarHBondContact CA-OG 3.31Å; G209-S224 PolarHBondContact N-OG 2.79Å; S224-R234 PolarHBondContact O-NH1 2.78Å
225D96.7Very high95.2Very high44 Ų4476.6 Ų76.624%0.23540%0.398CS..SBendtrans-72.4145.8-178.7-78.20.5000111G209 R234 C235 R237G209-D225 WeakPolarHBondContact CA-OD1 3.29Å; D225-R234 CarbonylContact O-C 3.48Å; D225-R234 WeakPolarHBondContact O-CA 3.21Å; D225-R234 VanDerWaalsContact O-CD 3.32Å; D225-R234 WeakPolarHBondContact O-CD 3Å; D225-C235 PolarHBondContact O-N 2.96Å; D225-R237 VanDerWaalsContact CG-NH2 3.34Å; D225-R237 IonicContact OD1-CZ 3.33Å; D225-R237 IonicContact OD1-NH2 3.58Å; D225-R237 PolarHBondContact OD1-NH2 3.23Å; D225-R237 IonicContact OD2-CZ 2.71Å; D225-R237 IonicContact OD2-NE 2.87Å; D225-R237 PolarHBondContact OD2-NE 3.49Å; D225-R237 IonicContact OD2-NH2 3.62Å; D225-R237 PolarHBondContact OD2-NH2 2.85Å
226H96.4Very high95.2Very high93 Ų9376.4 Ų76.443%0.43140%0.398SS..BIsolated β-bridgetrans-86.4144.2174.3-61.994.7000109.7S231 W233 R234H226-S231 PolarHBondContact CD2-O 3.46Å; H226-W233 WeakPolarHBondContact CA-O 3.21Å; H226-R234 PolarHBondContact CD2-NE 2.89Å; H226-R234 PolarHBondContact CE1-NH1 2.81Å; H226-R234 VanDerWaalsContact CE1-NH1 3.33Å; H226-R234 PolarHBondContact NE2-NE 2.89Å; H226-R234 PolarHBondContact NE2-NH1 2.88Å; H226-R234 PolarHBondContact NE2-NH2 3.15Å
227C94.6Very high95.4Very high12 Ų1274.1 Ų74.18%0.08138%0.381CS..PPolyproline II helixtrans-66.1140.2174.7-57.80000110.8S229 D230 W233 R234 C235C227-S229 VanDerWaalsContact C-N 3.28Å; C227-S229 PolarHBondContact O-N 2.91Å; C227-D230 WeakPolarHBondContact CB-O 3Å; C227-D230 CarbonylContact O-C 2.83Å; C227-D230 PolarHBondContact O-N 3.28Å; C227-W233 HydrophobicContact CB-CB 4.32Å; C227-W233 PolarHBondContact N-O 3.05Å; C227-R234 PolarHBondContact SG-O 2.02Å; C227-C235 HydrophobicContact CB-CB 4Å; C227-C235 WeakPolarHBondContact CB-SG 3.18Å; C227-C235 WeakPolarHBondContact SG-CB 3.39Å; C227-C235 PolarHBondContact SG-N 3.03Å; C227-C235 CovalentContact SG-SG 2.04Å; C227-C235 PolarHBondContact SG-SG 3.35Å
228I91.9Very high95.7Very high182 Ų18278.9 Ų78.993%0.93340%0.399SS*.SBendtrans-64.7-36.7177.7-62.2172.9000110.9
229S93.9Very high95.9Very high117 Ų11775.3 Ų75.382%0.81837%0.374SS*.SBendtrans-71.1-34.8-178.153.60000113.6C227C227-S229 VanDerWaalsContact C-N 3.28Å; C227-S229 PolarHBondContact O-N 2.91Å
230D94.1Very high95.9Very high40 Ų4072.2 Ų72.221%0.21436%0.358CS..  trans-157112.3-179.9179.9-11.6000109.5C227 R232 W233C227-D230 WeakPolarHBondContact CB-O 3Å; C227-D230 CarbonylContact O-C 2.83Å; C227-D230 PolarHBondContact O-N 3.28Å; D230-R232 PolarHBondContact O-N 3Å; D230-R232 VanDerWaalsContact O-N 3.08Å; D230-R232 VanDerWaalsContact OD1-CB 3.31Å; D230-R232 WeakPolarHBondContact OD1-CB 3.38Å; D230-R232 WeakPolarHBondContact OD1-CG 3.3Å; D230-R232 IonicContact OD1-CZ 3.04Å; D230-R232 PolarHBondContact OD1-N 2.91Å; D230-R232 IonicContact OD1-NE 2.66Å; D230-R232 PolarHBondContact OD1-NE 2.82Å; D230-R232 VanDerWaalsContact OD1-NE 3.1Å; D230-R232 IonicContact OD1-NH2 2.88Å; D230-R232 IonicContact OD2-CZ 3.59Å; D230-R232 IonicContact OD2-NE 3.7Å; D230-R232 PolarHBondContact OD2-NE 3.01Å; D230-R232 IonicContact OD2-NH2 2.74Å; D230-R232 PolarHBondContact OD2-NH2 2.83Å; D230-W233 PolarHBondContact O-N 3.26Å; D230-W233 VanDerWaalsContact O-N 3.11Å; D230-W233 PolarHBondContact OD2-NE1 3.34Å
231S93.2Very high96Very high87 Ų8770.6 Ų70.661%0.60834%0.344SS*.THydrogen-bonded Turntrans-69.6-3.5-174.961.20000114.3H226H226-S231 PolarHBondContact CD2-O 3.46Å
232R94.7Very high96.1Very high194 Ų19470.3 Ų70.373%0.73234%0.342SS*.THydrogen-bonded Turntrans-77.2-26.4171.2-62.8176.9-64.41620.4112.2D230D230-R232 PolarHBondContact O-N 3Å; D230-R232 VanDerWaalsContact O-N 3.08Å; D230-R232 VanDerWaalsContact OD1-CB 3.31Å; D230-R232 WeakPolarHBondContact OD1-CB 3.38Å; D230-R232 WeakPolarHBondContact OD1-CG 3.3Å; D230-R232 IonicContact OD1-CZ 3.04Å; D230-R232 PolarHBondContact OD1-N 2.91Å; D230-R232 IonicContact OD1-NE 2.66Å; D230-R232 PolarHBondContact OD1-NE 2.82Å; D230-R232 VanDerWaalsContact OD1-NE 3.1Å; D230-R232 IonicContact OD1-NH2 2.88Å; D230-R232 IonicContact OD2-CZ 3.59Å; D230-R232 IonicContact OD2-NE 3.7Å; D230-R232 PolarHBondContact OD2-NE 3.01Å; D230-R232 IonicContact OD2-NH2 2.74Å; D230-R232 PolarHBondContact OD2-NH2 2.83Å
233W96.8Very high96.2Very high168 Ų16862.9 Ų62.964%0.63631%0.313SS*.SBendtrans-94155.3-179.5-59110.2000111.6H226 C227 D230H226-W233 WeakPolarHBondContact CA-O 3.21Å; C227-W233 HydrophobicContact CB-CB 4.32Å; C227-W233 PolarHBondContact N-O 3.05Å; D230-W233 PolarHBondContact O-N 3.26Å; D230-W233 VanDerWaalsContact O-N 3.11Å; D230-W233 PolarHBondContact OD2-NE1 3.34Å
234R96.8Very high96.3Very high94 Ų9462.6 Ų62.636%0.35531%0.311SS..BIsolated β-bridgetrans-104.8138.3175-59.1-61.7173.2135.35.9110.1P223 S224 D225 H226 C227P223-R234 WeakPolarHBondContact O-CB 3.03Å; S224-R234 PolarHBondContact O-NH1 2.78Å; D225-R234 CarbonylContact O-C 3.48Å; D225-R234 WeakPolarHBondContact O-CA 3.21Å; D225-R234 VanDerWaalsContact O-CD 3.32Å; D225-R234 WeakPolarHBondContact O-CD 3Å; H226-R234 PolarHBondContact CD2-NE 2.89Å; H226-R234 PolarHBondContact CE1-NH1 2.81Å; H226-R234 VanDerWaalsContact CE1-NH1 3.33Å; H226-R234 PolarHBondContact NE2-NE 2.89Å; H226-R234 PolarHBondContact NE2-NH1 2.88Å; H226-R234 PolarHBondContact NE2-NH2 3.15Å; C227-R234 PolarHBondContact SG-O 2.02Å
235C96.3Very high96.3Very high52 Ų5262.1 Ų62.135%0.35131%0.308SS..  trans-128.1144.1-177.3-830000110.3P223 D225 C227P223-C235 VanDerWaalsContact CB-O 3.31Å; P223-C235 WeakPolarHBondContact CB-O 3.26Å; D225-C235 PolarHBondContact O-N 2.96Å; C227-C235 HydrophobicContact CB-CB 4Å; C227-C235 WeakPolarHBondContact CB-SG 3.18Å; C227-C235 WeakPolarHBondContact SG-CB 3.39Å; C227-C235 PolarHBondContact SG-N 3.03Å; C227-C235 CovalentContact SG-SG 2.04Å; C227-C235 PolarHBondContact SG-SG 3.35Å
236S95.9Very high96.2Very high35 Ų3560.6 Ų60.625%0.24530%0.299CS..PPolyproline II helixtrans-63140.7170.654.30000110.4E44E44-S236 PolarHBondContact OE1-OG 2.79Å
237R96.8Very high95.8Very high63 Ų6362.8 Ų62.824%0.23831%0.31CS..PPolyproline II helixtrans-77.7143.8172.7179.3174.8-69.2178.3-2.3110.4G209 S210 D225 V239G209-R237 VanDerWaalsContact O-CB 3.22Å; G209-R237 WeakPolarHBondContact O-CB 3.37Å; S210-R237 WeakPolarHBondContact OG-CD 3.07Å; S210-R237 PolarHBondContact OG-NH1 3.31Å; D225-R237 VanDerWaalsContact CG-NH2 3.34Å; D225-R237 IonicContact OD1-CZ 3.33Å; D225-R237 IonicContact OD1-NH2 3.58Å; D225-R237 PolarHBondContact OD1-NH2 3.23Å; D225-R237 IonicContact OD2-CZ 2.71Å; D225-R237 IonicContact OD2-NE 2.87Å; D225-R237 PolarHBondContact OD2-NE 3.49Å; D225-R237 IonicContact OD2-NH2 3.62Å; D225-R237 PolarHBondContact OD2-NH2 2.85Å; R237-V239 HydrophobicContact CB-CG1 4.44Å; R237-V239 HydrophobicContact CG-CG1 4.38Å; R237-V239 PolarHBondContact O-N 3.07Å
238E97.4Very high95.3Very high115 Ų11563.4 Ų63.454%0.53731%0.314SS..PPolyproline II helixtrans-71.5117.3163.5-62.3-178.6155.500109.1R40R40-E238 HydrophobicContact CB-CB 3.79Å; R40-E238 VanDerWaalsContact CZ-O 3.23Å; R40-E238 PolarHBondContact NE-O 3.46Å; R40-E238 PolarHBondContact NH2-O 2.95Å
239V98Very high94.5Very high2 Ų260.1 Ų60.11%0.01230%0.297CS..BIsolated β-bridgetrans-109.5179-174.1-61.70000111R40 V41 V43 N57 F61 R237 V242R40-V239 VanDerWaalsContact CA-O 3.27Å; R40-V239 WeakPolarHBondContact CA-O 3.38Å; V41-V239 PolarHBondContact N-O 3.46Å; V41-V239 PolarHBondContact O-N 3.45Å; V43-V239 HydrophobicContact CG2-CG2 3.52Å; N57-V239 HydrophobicContact CB-CB 4.42Å; N57-V239 HydrophobicContact CB-CG1 4.14Å; N57-V239 HydrophobicContact CB-CG2 4.16Å; F61-V239 HydrophobicContact CE1-CB 4.17Å; F61-V239 HydrophobicContact CE1-CG1 4.31Å; R237-V239 HydrophobicContact CB-CG1 4.44Å; R237-V239 HydrophobicContact CG-CG1 4.38Å; R237-V239 PolarHBondContact O-N 3.07Å; V239-V242 HydrophobicContact CG2-CG2 4.21Å
240S97.4Very high93.6Very high1 Ų155.2 Ų55.21%0.00726%0.263CS..SBendtrans-90-103.7175.9173.30000110.4P29 F61 C68P29-S240 WeakPolarHBondContact CA-O 3.24Å; P29-S240 VanDerWaalsContact CB-O 3.24Å; P29-S240 WeakPolarHBondContact CB-O 3.41Å; P29-S240 WeakPolarHBondContact CD-O 3.2Å; F61-S240 VanDerWaalsContact CB-CB 3.49Å; C68-S240 PolarHBondContact SG-OG 2.86Å
241T98.4Very high92.5Very high3 Ų361 Ų612%0.01829%0.289CS..  trans-75.5156.5-177.958.40000112.1L27 G58 G59 V72L27-T241 CarbonylContact O-C 3.02Å; L27-T241 WeakPolarHBondContact O-CA 3.47Å; L27-T241 WeakPolarHBondContact O-CB 3.2Å; G58-T241 WeakPolarHBondContact CA-O 3.49Å; G58-T241 PolarHBondContact N-O 3.43Å; G59-T241 PolarHBondContact N-OG1 3.33Å; V72-T241 HydrophobicContact CG1-CG2 3.91Å; V72-T241 HydrophobicContact CG2-CG2 4.13Å
242V98.8Very high91.5Very high0 Ų058.9 Ų58.90%027%0.273CS..EExtended strand (participates in β ladder)trans-130.4134.9179.9169.90000109.2L27 V43 T46 A55 Q56 V239L27-V242 HydrophobicContact CB-CB 4.27Å; L27-V242 PolarHBondContact N-O 2.82Å; L27-V242 PolarHBondContact O-N 3.42Å; V43-V242 HydrophobicContact CB-CG2 4.43Å; V43-V242 HydrophobicContact CG1-CG1 3.98Å; V43-V242 HydrophobicContact CG1-CG2 4.28Å; V43-V242 HydrophobicContact CG2-CG2 4.12Å; T46-V242 HydrophobicContact CG2-CB 4.17Å; T46-V242 HydrophobicContact CG2-CG2 4Å; A55-V242 HydrophobicContact CB-CG1 3.88Å; Q56-V242 WeakPolarHBondContact O-CG1 3.48Å; V239-V242 HydrophobicContact CG2-CG2 4.21Å
243L98.6Very high90.6Very high2 Ų253.1 Ų53.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-88.3115166.2-80.3174.3000108.7V24 V26 A55 Q56 F90 V119 V163 L205V24-L243 HydrophobicContact CG1-CD2 4.46Å; V26-L243 HydrophobicContact CG2-CD2 3.74Å; A55-L243 VanDerWaalsContact CA-O 3.25Å; A55-L243 WeakPolarHBondContact CA-O 3.27Å; Q56-L243 HydrophobicContact CG-CB 4.08Å; Q56-L243 PolarHBondContact N-O 3Å; Q56-L243 PolarHBondContact O-N 3.2Å; F90-L243 HydrophobicContact CE1-CD2 4.42Å; V119-L243 HydrophobicContact CG1-CD2 4.21Å; V163-L243 HydrophobicContact CB-CD1 4.14Å; V163-L243 HydrophobicContact CG1-CD1 4.39Å; V163-L243 HydrophobicContact CG2-CD1 4.33Å; L205-L243 HydrophobicContact CD1-CD1 3.42Å; L205-L243 VanDerWaalsContact CD1-CD1 3.42Å
244C98.3Very high89.6Confident1 Ų151.3 Ų51.31%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-109.1129.7-177.5173.80000110.3V24 S25 L27 C52V24-C244 WeakPolarHBondContact CA-O 3.13Å; S25-C244 PolarHBondContact N-O 3.42Å; S25-C244 PolarHBondContact O-N 3.07Å; L27-C244 HydrophobicContact CD1-CB 3.46Å; L27-C244 VanDerWaalsContact CD1-CB 3.46Å; L27-C244 HydrophobicContact CG-CB 3.77Å; C52-C244 HydrophobicContact CB-CB 4.14Å; C52-C244 WeakPolarHBondContact CB-SG 3.39Å; C52-C244 WeakPolarHBondContact SG-CB 3.2Å; C52-C244 CovalentContact SG-SG 2.02Å; C52-C244 PolarHBondContact SG-SG 2.88Å
245V97.7Very high89.1Confident0 Ų046.9 Ų46.90%025%0.253CS..EExtended strand (participates in β ladder)trans-103.5118164.9-173.80000107.6V17 M23 C52 L53 Y54 L173V17-V245 HydrophobicContact CG1-CG1 4.13Å; V17-V245 HydrophobicContact CG2-CG1 3.94Å; V17-V245 HydrophobicContact CG2-CG2 3.75Å; M23-V245 CarbonylContact O-C 3.53Å; M23-V245 VanDerWaalsContact O-CA 3.29Å; M23-V245 WeakPolarHBondContact O-CA 3.24Å; C52-V245 CarbonylContact C-O 3.48Å; L53-V245 PolarHBondContact N-O 3.36Å; Y54-V245 PolarHBondContact N-O 2.58Å; Y54-V245 VanDerWaalsContact N-O 3.14Å; Y54-V245 PolarHBondContact O-N 3.01Å; L173-V245 HydrophobicContact CD1-CG2 4.28Å; L173-V245 HydrophobicContact CD2-CG2 3.72Å
246H94Very high88.6Confident11 Ų1146.8 Ų46.85%0.05125%0.253CS..  trans-125.7171.4-179.355.675000110.4K22 M23 S25 L249K22-H246 PolarHBondContact O-CE1 3.08Å; K22-H246 VanDerWaalsContact O-CE1 3.23Å; M23-H246 WeakPolarHBondContact CB-O 3.36Å; M23-H246 VanDerWaalsContact CE-O 3.31Å; M23-H246 WeakPolarHBondContact CE-O 3.3Å; M23-H246 PolarHBondContact O-CD2 3.04Å; M23-H246 PolarHBondContact O-N 3.35Å; S25-H246 PolarHBondContact OG-NE2 3.5Å; H246-L249 VanDerWaalsContact CE1-CD1 3.44Å; H246-L249 WeakPolarHBondContact CE1-CD1 3.47Å; H246-L249 VanDerWaalsContact CE1-CG 3.44Å; H246-L249 WeakPolarHBondContact CE1-CG 3.37Å
247Q87.9Confident88.2Confident139 Ų13952.8 Ų52.865%0.6528%0.277SS*.SBendtrans-62.4150170-68.2-173.7-25.100110.5L53 L249L53-Q247 HydrophobicContact CD1-CG 3.92Å; L53-Q247 HydrophobicContact CD2-CG 4.44Å; L53-Q247 HydrophobicContact CG-CG 4.39Å; Q247-L249 PolarHBondContact O-N 3.35Å
248P84.6Confident87.8Confident26 Ų2652.5 Ų52.517%0.16928%0.278CS..PPolyproline II helixtrans-49117.8178.4-28.835.8000112K22 M23 C250K22-P248 HydrophobicContact CB-CB 4.03Å; K22-P248 HydrophobicContact CD-CB 4.33Å; K22-P248 WeakPolarHBondContact O-CA 3.24Å; M23-P248 HydrophobicContact CG-CG 3.87Å; M23-P248 HydrophobicContact SD-CG 4.25Å; P248-C250 PolarHBondContact O-N 2.7Å
249L75.2Confident87.4Confident112 Ų11247.7 Ų47.759%0.58626%0.26SS*.PPolyproline II helixtrans-68.6132.9177.2-69.9168.2000109.3K22 H246 Q247K22-L249 PolarHBondContact O-N 3.45Å; H246-L249 VanDerWaalsContact CE1-CD1 3.44Å; H246-L249 WeakPolarHBondContact CE1-CD1 3.47Å; H246-L249 VanDerWaalsContact CE1-CG 3.44Å; H246-L249 WeakPolarHBondContact CE1-CG 3.37Å; Q247-L249 PolarHBondContact O-N 3.35Å
250C75.6Confident86.9Confident15 Ų1552.7 Ų52.710%0.10128%0.283CS..PPolyproline II helixtrans-72137.7175.9-96.40000112.1P248 P252 A253 C255 C261 G264 R265P248-C250 PolarHBondContact O-N 2.7Å; C250-P252 CarbonylContact C-O 3.57Å; C250-P252 CarbonylContact O-C 3.52Å; C250-A253 WeakPolarHBondContact O-CA 3.29Å; C250-A253 PolarHBondContact O-N 2.81Å; C250-C255 VanDerWaalsContact SG-SG 3.69Å; C250-C261 VanDerWaalsContact CA-SG 3.57Å; C250-C261 HydrophobicContact CB-CB 3.86Å; C250-C261 WeakPolarHBondContact CB-SG 3.47Å; C250-C261 WeakPolarHBondContact SG-CA 3.49Å; C250-C261 WeakPolarHBondContact SG-CB 3.49Å; C250-C261 CovalentContact SG-SG 2.01Å; C250-C261 PolarHBondContact SG-SG 2.78Å; C250-G264 VanDerWaalsContact SG-C 3.54Å; C250-R265 VanDerWaalsContact SG-C 3.56Å
251H69.9Low86.3Confident161 Ų16155.8 Ų55.875%0.74530%0.304SS*.SBendtrans-121.2118.2169.5-163.178.7000110G264H251-G264 PolarHBondContact N-O 3.46Å; H251-G264 VanDerWaalsContact N-O 3.16Å
252P72.6Confident85.5Confident43 Ų4357.8 Ų57.828%0.27932%0.316SS..SBendcis-68.8156.8-2-24.540.8000114.3C250 A275 A276C250-P252 CarbonylContact C-O 3.57Å; C250-P252 CarbonylContact O-C 3.52Å; P252-A275 VanDerWaalsContact CD-O 3.29Å; P252-A275 WeakPolarHBondContact CD-O 3.35Å; P252-A276 HydrophobicContact CB-CB 3.7Å; P252-A276 HydrophobicContact CG-CB 3.7Å
253A75.1Confident84.3Confident73 Ų7360.9 Ų60.960%0.60333%0.332SS*.G310 helixtrans-59.8141.6-170.900000112.9C250 C255C250-A253 WeakPolarHBondContact O-CA 3.29Å; C250-A253 PolarHBondContact O-N 2.81Å; A253-C255 PolarHBondContact O-N 2.97Å
254N76.4Confident83.2Confident130 Ų13061.4 Ų61.470%0.69534%0.338SS*.G310 helixtrans55.78.8175.1-60.7-16.4000116.4S256 E257N254-S256 PolarHBondContact O-N 2.95Å; N254-E257 PolarHBondContact O-N 2.92Å
255C86.4Confident82.5Confident1 Ų170.7 Ų70.71%0.00737%0.373CS..G310 helixtrans49.436.3-179.6-54.50000113.2C250 A253 E257 H258 G259 C266 A276 C277C250-C255 VanDerWaalsContact SG-SG 3.69Å; A253-C255 PolarHBondContact O-N 2.97Å; C255-E257 PolarHBondContact O-N 3.49Å; C255-H258 PolarHBondContact O-N 2.91Å; C255-G259 PolarHBondContact O-N 3.25Å; C255-C266 WeakPolarHBondContact CA-SG 3.4Å; C255-C266 HydrophobicContact CB-CB 3.54Å; C255-C266 WeakPolarHBondContact CB-SG 3.35Å; C255-C266 WeakPolarHBondContact SG-CA 3Å; C255-C266 WeakPolarHBondContact SG-CB 3.46Å; C255-C266 CovalentContact SG-SG 2.03Å; C255-C266 PolarHBondContact SG-SG 2.89Å; C255-A276 CarbonylContact C-O 3.55Å; C255-A276 VanDerWaalsContact CA-O 3.28Å; C255-A276 WeakPolarHBondContact CA-O 3.39Å; C255-C277 WeakPolarHBondContact O-CB 3.47Å
256S86Confident82Confident49 Ų4971.5 Ų71.534%0.34338%0.378SS..G310 helixtrans48.927.3-175.7-60.20000113.9N254 H258 A276N254-S256 PolarHBondContact O-N 2.95Å; S256-H258 PolarHBondContact O-CD2 3.19Å; S256-H258 VanDerWaalsContact O-CG 3.27Å; S256-H258 PolarHBondContact O-N 3.22Å; S256-H258 VanDerWaalsContact O-N 3.17Å; S256-H258 PolarHBondContact O-NE2 2.98Å; S256-A276 VanDerWaalsContact CB-O 3.31Å; S256-A276 WeakPolarHBondContact CB-O 3.47Å; S256-A276 PolarHBondContact N-O 3.42Å; S256-A276 PolarHBondContact OG-O 2.8Å; S256-A276 VanDerWaalsContact OG-O 3.12Å
257E87.6Confident81.9Confident162 Ų16277.9 Ų77.976%0.75740%0.402SS*.G310 helixtrans60.617.8-174.7-53179.1-179.600114.2N254 C255N254-E257 PolarHBondContact O-N 2.92Å; C255-E257 PolarHBondContact O-N 3.49Å
258H88.3Confident82Confident57 Ų5773.1 Ų73.126%0.26438%0.383SS..SBendtrans-127.223.4-173.8-63.5-32.9000112.1C255 S256 E269 W272 C277C255-H258 PolarHBondContact O-N 2.91Å; S256-H258 PolarHBondContact O-CD2 3.19Å; S256-H258 VanDerWaalsContact O-CG 3.27Å; S256-H258 PolarHBondContact O-N 3.22Å; S256-H258 VanDerWaalsContact O-N 3.17Å; S256-H258 PolarHBondContact O-NE2 2.98Å; H258-E269 PolarHBondContact O-N 3.27Å; H258-W272 HydrophobicContact CB-CB 4.1Å; H258-W272 HydrophobicContact CB-CD2 3.55Å; H258-W272 HydrophobicContact CB-CE3 4.07Å; H258-W272 HydrophobicContact CB-CG 3.54Å; H258-W272 AromaticContact CD2-CD2 3.56Å; H258-W272 AromaticContact CD2-CE2 3.42Å; H258-W272 VanDerWaalsContact CD2-CE2 3.42Å; H258-W272 AromaticContact CD2-CE3 3.48Å; H258-W272 VanDerWaalsContact CD2-CE3 3.48Å; H258-W272 AromaticContact CD2-CH2 3.18Å; H258-W272 WeakPolarHBondContact CD2-CH2 2.9Å; H258-W272 AromaticContact CD2-CZ2 3.25Å; H258-W272 WeakPolarHBondContact CD2-CZ2 3.22Å; H258-W272 AromaticContact CD2-CZ3 3.28Å; H258-W272 WeakPolarHBondContact CD2-CZ3 3.24Å; H258-W272 AromaticContact CE1-CE2 3.87Å; H258-W272 AromaticContact CE1-CH2 3.9Å; H258-W272 AromaticContact CE1-CZ2 3.43Å; H258-W272 VanDerWaalsContact CE1-CZ2 3.43Å; H258-W272 WeakPolarHBondContact CE1-CZ2 3.33Å; H258-W272 AromaticContact CG-CD2 3.5Å; H258-W272 VanDerWaalsContact CG-CD2 3.5Å; H258-W272 AromaticContact CG-CE2 3.29Å; H258-W272 AromaticContact CG-CE3 3.89Å; H258-W272 AromaticContact CG-CG 4Å; H258-W272 AromaticContact CG-CH2 3.96Å; H258-W272 AromaticContact CG-CZ2 3.57Å; H258-W272 AromaticContact CG-NE1 3.62Å; H258-W272 AromaticContact ND1-CE2 3.6Å; H258-W272 AromaticContact ND1-CZ2 3.67Å; H258-W272 AromaticContact ND1-NE1 3.69Å; H258-W272 AromaticContact NE2-CE2 3.78Å; H258-W272 AromaticContact NE2-CH2 3.13Å; H258-W272 WeakPolarHBondContact NE2-CH2 2.97Å; H258-W272 AromaticContact NE2-CZ2 3.15Å; H258-W272 WeakPolarHBondContact NE2-CZ2 3.11Å; H258-W272 AromaticContact NE2-CZ3 3.74Å; H258-C277 HydrophobicContact CB-CB 3.99Å; H258-C277 VanDerWaalsContact CB-O 3.31Å; H258-C277 WeakPolarHBondContact CB-O 3.31Å; H258-C277 WeakPolarHBondContact O-CB 3.31Å
259G88.4Confident82.3Confident14 Ų1476.9 Ų76.914%0.14440%0.398CS..EExtended strand (participates in β ladder)trans-165.7157.4-178.600000111.8C255 R267C255-G259 PolarHBondContact O-N 3.25Å; G259-R267 CarbonylContact C-O 3.49Å; G259-R267 WeakPolarHBondContact CA-O 3.26Å
260E88.3Confident82.7Confident107 Ų10780 Ų8050%0.541%0.407SS..EExtended strand (participates in β ladder)trans-88.9138.3170.4-67.9-178.3163.600109.9V262 R267E260-V262 HydrophobicContact CB-CG2 4.29Å; E260-V262 PolarHBondContact O-N 2.91Å; E260-R267 PolarHBondContact N-O 3.38Å; E260-R267 PolarHBondContact O-N 3.49Å; E260-R267 IonicContact OE2-CZ 3.95Å; E260-R267 IonicContact OE2-NE 3.1Å; E260-R267 IonicContact OE2-NH2 3.25Å; E260-R267 PolarHBondContact OE2-NH2 2.98Å
261C84.1Confident82.8Confident66 Ų6679.9 Ų79.945%0.44641%0.408SS..EExtended strand (participates in β ladder)trans-78.1114.4172-171.50000110.7C250C250-C261 VanDerWaalsContact CA-SG 3.57Å; C250-C261 HydrophobicContact CB-CB 3.86Å; C250-C261 WeakPolarHBondContact CB-SG 3.47Å; C250-C261 WeakPolarHBondContact SG-CA 3.49Å; C250-C261 WeakPolarHBondContact SG-CB 3.49Å; C250-C261 CovalentContact SG-SG 2.01Å; C250-C261 PolarHBondContact SG-SG 2.78Å
262V82.8Confident83.6Confident45 Ų4575 Ų7527%0.27338%0.384SS..EExtended strand (participates in β ladder)trans-127.3112.9179-172.20000108.8E260 G264 R265 R267E260-V262 HydrophobicContact CB-CG2 4.29Å; E260-V262 PolarHBondContact O-N 2.91Å; V262-G264 VanDerWaalsContact C-N 3.26Å; V262-G264 PolarHBondContact O-N 2.72Å; V262-R265 PolarHBondContact N-O 2.83Å; V262-R265 PolarHBondContact O-N 3.24Å; V262-R267 HydrophobicContact CG2-CB 3.94Å
263D71.9Confident84.1Confident65 Ų6580.6 Ų80.635%0.34840%0.399SS..THydrogen-bonded Turntrans56.933.7179-58.3-17.8000115K22 R265 R414K22-D263 PolarHBondContact NZ-O 3.32Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 2.62Å; D263-R414 IonicContact OD1-CZ 3.38Å; D263-R414 IonicContact OD1-NH1 3.98Å; D263-R414 PolarHBondContact OD1-NH1 2.82Å; D263-R414 IonicContact OD1-NH2 3.43Å; D263-R414 IonicContact OD2-CZ 2.99Å; D263-R414 IonicContact OD2-NH1 2.73Å; D263-R414 PolarHBondContact OD2-NH1 2.9Å; D263-R414 IonicContact OD2-NH2 3.59Å; D263-R414 PolarHBondContact OD2-NH2 3.13Å
264G75.7Confident84.5Confident12 Ų1278.9 Ų78.912%0.12439%0.388CS..THydrogen-bonded Turntrans796.7-17700000114C250 H251 V262C250-G264 VanDerWaalsContact SG-C 3.54Å; H251-G264 PolarHBondContact N-O 3.46Å; H251-G264 VanDerWaalsContact N-O 3.16Å; V262-G264 VanDerWaalsContact C-N 3.26Å; V262-G264 PolarHBondContact O-N 2.72Å
265R83.2Confident84.9Confident197 Ų19776.3 Ų76.374%0.74339%0.385SS*.EExtended strand (participates in β ladder)trans-117.2143174.3-161.2179.1-158.2155.46.6110.8C250 V262 D263 R267C250-R265 VanDerWaalsContact SG-C 3.56Å; V262-R265 PolarHBondContact N-O 2.83Å; V262-R265 PolarHBondContact O-N 3.24Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 2.62Å; R265-R267 PolarHBondContact O-N 3.36Å
266C87.5Confident84.9Confident16 Ų1676.6 Ų76.611%0.10839%0.388CS..EExtended strand (participates in β ladder)trans-76.4120.2176.2-64.30000111.6C255 A275 C277C255-C266 WeakPolarHBondContact CA-SG 3.4Å; C255-C266 HydrophobicContact CB-CB 3.54Å; C255-C266 WeakPolarHBondContact CB-SG 3.35Å; C255-C266 WeakPolarHBondContact SG-CA 3Å; C255-C266 WeakPolarHBondContact SG-CB 3.46Å; C255-C266 CovalentContact SG-SG 2.03Å; C255-C266 PolarHBondContact SG-SG 2.89Å; C266-A275 WeakPolarHBondContact CB-O 3.48Å; C266-C277 VanDerWaalsContact CB-SG 3.57Å
267R91.7Very high85.1Confident146 Ų14674.2 Ų74.255%0.55137%0.371SS*.EExtended strand (participates in β ladder)trans-96.1100.4166.5-179.4169.265.5-168.5-0.3108.1G259 E260 V262 R265G259-R267 CarbonylContact C-O 3.49Å; G259-R267 WeakPolarHBondContact CA-O 3.26Å; E260-R267 PolarHBondContact N-O 3.38Å; E260-R267 PolarHBondContact O-N 3.49Å; E260-R267 IonicContact OE2-CZ 3.95Å; E260-R267 IonicContact OE2-NE 3.1Å; E260-R267 IonicContact OE2-NH2 3.25Å; E260-R267 PolarHBondContact OE2-NH2 2.98Å; V262-R267 HydrophobicContact CG2-CB 3.94Å; R265-R267 PolarHBondContact O-N 3.36Å
268C90.5Very high85Confident39 Ų3970.7 Ų70.726%0.26436%0.358SS..EExtended strand (participates in β ladder)trans-66143-173.4-52.60000113.3W272 C277C268-W272 HydrophobicContact CB-CB 4.09Å; C268-W272 VanDerWaalsContact CB-O 3.32Å; C268-W272 WeakPolarHBondContact CB-O 3.41Å; C268-C277 WeakPolarHBondContact CA-SG 3.21Å; C268-C277 HydrophobicContact CB-CB 3.7Å; C268-C277 WeakPolarHBondContact CB-SG 3.45Å; C268-C277 PolarHBondContact N-SG 3.15Å; C268-C277 VanDerWaalsContact N-SG 3.43Å; C268-C277 WeakPolarHBondContact SG-CA 3.35Å; C268-C277 WeakPolarHBondContact SG-CB 3.25Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 2.97Å
269E90.3Very high84.7Confident104 Ų10470.6 Ų70.649%0.48636%0.361SS..PPolyproline II helixtrans-67.5163.3169.5-67179.9-178.100110.9H258 G271 W272H258-E269 PolarHBondContact O-N 3.27Å; E269-G271 PolarHBondContact O-N 2.01Å; E269-W272 PolarHBondContact O-N 3.16Å
270K84.8Confident84.1Confident178 Ų17872.1 Ų72.177%0.77437%0.366SS*.THydrogen-bonded Turntrans-60.4126.4-179.2-174.2-178.8176.2-176.40110
271G77.9Confident83.5Confident12 Ų1269.4 Ų69.412%0.12436%0.356CS..THydrogen-bonded Turntrans94.94.3-177.800000113.7E269 L280 V281E269-G271 PolarHBondContact O-N 2.01Å; G271-L280 CarbonylContact O-C 3.56Å; G271-L280 WeakPolarHBondContact O-CA 3.23Å; G271-L280 WeakPolarHBondContact O-CD1 3.12Å; G271-V281 PolarHBondContact O-N 3.3Å
272W85.8Confident82.9Confident59 Ų5968 Ų6822%0.22335%0.347CS..EExtended strand (participates in β ladder)trans-125.4149.1174.4-65.195.2000111.7H258 C268 E269 C277 T279 L280H258-W272 HydrophobicContact CB-CB 4.1Å; H258-W272 HydrophobicContact CB-CD2 3.55Å; H258-W272 HydrophobicContact CB-CE3 4.07Å; H258-W272 HydrophobicContact CB-CG 3.54Å; H258-W272 AromaticContact CD2-CD2 3.56Å; H258-W272 AromaticContact CD2-CE2 3.42Å; H258-W272 VanDerWaalsContact CD2-CE2 3.42Å; H258-W272 AromaticContact CD2-CE3 3.48Å; H258-W272 VanDerWaalsContact CD2-CE3 3.48Å; H258-W272 AromaticContact CD2-CH2 3.18Å; H258-W272 WeakPolarHBondContact CD2-CH2 2.9Å; H258-W272 AromaticContact CD2-CZ2 3.25Å; H258-W272 WeakPolarHBondContact CD2-CZ2 3.22Å; H258-W272 AromaticContact CD2-CZ3 3.28Å; H258-W272 WeakPolarHBondContact CD2-CZ3 3.24Å; H258-W272 AromaticContact CE1-CE2 3.87Å; H258-W272 AromaticContact CE1-CH2 3.9Å; H258-W272 AromaticContact CE1-CZ2 3.43Å; H258-W272 VanDerWaalsContact CE1-CZ2 3.43Å; H258-W272 WeakPolarHBondContact CE1-CZ2 3.33Å; H258-W272 AromaticContact CG-CD2 3.5Å; H258-W272 VanDerWaalsContact CG-CD2 3.5Å; H258-W272 AromaticContact CG-CE2 3.29Å; H258-W272 AromaticContact CG-CE3 3.89Å; H258-W272 AromaticContact CG-CG 4Å; H258-W272 AromaticContact CG-CH2 3.96Å; H258-W272 AromaticContact CG-CZ2 3.57Å; H258-W272 AromaticContact CG-NE1 3.62Å; H258-W272 AromaticContact ND1-CE2 3.6Å; H258-W272 AromaticContact ND1-CZ2 3.67Å; H258-W272 AromaticContact ND1-NE1 3.69Å; H258-W272 AromaticContact NE2-CE2 3.78Å; H258-W272 AromaticContact NE2-CH2 3.13Å; H258-W272 WeakPolarHBondContact NE2-CH2 2.97Å; H258-W272 AromaticContact NE2-CZ2 3.15Å; H258-W272 WeakPolarHBondContact NE2-CZ2 3.11Å; H258-W272 AromaticContact NE2-CZ3 3.74Å; C268-W272 HydrophobicContact CB-CB 4.09Å; C268-W272 VanDerWaalsContact CB-O 3.32Å; C268-W272 WeakPolarHBondContact CB-O 3.41Å; E269-W272 PolarHBondContact O-N 3.16Å; W272-C277 HydrophobicContact CB-CB 4.2Å; W272-T279 CarbonylContact C-O 3.48Å; W272-T279 WeakPolarHBondContact CA-O 3.46Å; W272-L280 HydrophobicContact CD2-CD1 3.99Å; W272-L280 HydrophobicContact CE3-CB 4.18Å; W272-L280 HydrophobicContact CE3-CD1 4.35Å; W272-L280 HydrophobicContact CH2-CB 4.17Å; W272-L280 HydrophobicContact CH2-CD1 3.98Å; W272-L280 HydrophobicContact CZ2-CD1 3.57Å; W272-L280 HydrophobicContact CZ3-CB 3.96Å; W272-L280 HydrophobicContact CZ3-CD1 4.36Å
273R83.8Confident81.8Confident160 Ų16070 Ų7060%0.60435%0.353SS*.EExtended strand (participates in β ladder)trans-146.2-179174.876.2171.8-161.5152.19.2110.4C277 D278 T279 V281R273-C277 CarbonylContact O-C 3.59Å; R273-C277 VanDerWaalsContact O-CA 3.31Å; R273-C277 WeakPolarHBondContact O-CA 3.17Å; R273-D278 PolarHBondContact O-N 2.89Å; R273-T279 HydrophobicContact CG-CG2 3.85Å; R273-T279 PolarHBondContact N-O 2.83Å; R273-T279 VanDerWaalsContact O-CB 3.31Å; R273-T279 WeakPolarHBondContact O-CB 3.31Å; R273-T279 PolarHBondContact O-N 2.96Å; R273-V281 HydrophobicContact CB-CG2 3.47Å; R273-V281 VanDerWaalsContact CB-CG2 3.47Å; R273-V281 HydrophobicContact CG-CG2 3.33Å
274G83.9Confident81.3Confident37 Ų3772.9 Ų72.938%0.38138%0.375SS..SBendtrans98162.1-175.600000110.2A276 C277G274-A276 PolarHBondContact O-N 3.16Å; G274-C277 PolarHBondContact O-N 3.47Å
275A84.4Confident80.4Confident76 Ų7676.6 Ų76.663%0.62840%0.398SS*.THydrogen-bonded Turntrans-63-28.2179.900000112P252 C266P252-A275 VanDerWaalsContact CD-O 3.29Å; P252-A275 WeakPolarHBondContact CD-O 3.35Å; C266-A275 WeakPolarHBondContact CB-O 3.48Å
276A86.9Confident79.8Confident7 Ų770.2 Ų70.26%0.05839%0.387CS..THydrogen-bonded Turntrans-98.9-1.1177.100000114.1P252 C255 S256 G274 D278P252-A276 HydrophobicContact CB-CB 3.7Å; P252-A276 HydrophobicContact CG-CB 3.7Å; C255-A276 CarbonylContact C-O 3.55Å; C255-A276 VanDerWaalsContact CA-O 3.28Å; C255-A276 WeakPolarHBondContact CA-O 3.39Å; S256-A276 VanDerWaalsContact CB-O 3.31Å; S256-A276 WeakPolarHBondContact CB-O 3.47Å; S256-A276 PolarHBondContact N-O 3.42Å; S256-A276 PolarHBondContact OG-O 2.8Å; S256-A276 VanDerWaalsContact OG-O 3.12Å; G274-A276 PolarHBondContact O-N 3.16Å; A276-D278 HydrophobicContact CB-CB 3.98Å; A276-D278 PolarHBondContact O-N 2.91Å
277C88.9Confident79.3Confident0 Ų069.6 Ų69.60%038%0.382CS..SBendtrans5631.5-165.9-46.50000113.3C255 H258 C266 C268 W272 R273 G274C255-C277 WeakPolarHBondContact O-CB 3.47Å; H258-C277 HydrophobicContact CB-CB 3.99Å; H258-C277 VanDerWaalsContact CB-O 3.31Å; H258-C277 WeakPolarHBondContact CB-O 3.31Å; H258-C277 WeakPolarHBondContact O-CB 3.31Å; C266-C277 VanDerWaalsContact CB-SG 3.57Å; C268-C277 WeakPolarHBondContact CA-SG 3.21Å; C268-C277 HydrophobicContact CB-CB 3.7Å; C268-C277 WeakPolarHBondContact CB-SG 3.45Å; C268-C277 PolarHBondContact N-SG 3.15Å; C268-C277 VanDerWaalsContact N-SG 3.43Å; C268-C277 WeakPolarHBondContact SG-CA 3.35Å; C268-C277 WeakPolarHBondContact SG-CB 3.25Å; C268-C277 CovalentContact SG-SG 2.03Å; C268-C277 PolarHBondContact SG-SG 2.97Å; W272-C277 HydrophobicContact CB-CB 4.2Å; R273-C277 CarbonylContact O-C 3.59Å; R273-C277 VanDerWaalsContact O-CA 3.31Å; R273-C277 WeakPolarHBondContact O-CA 3.17Å; G274-C277 PolarHBondContact O-N 3.47Å
278D86.4Confident78.6Confident88 Ų8863.8 Ų63.847%0.47137%0.368SS..  trans-88.4-10.6-179.758.6-13.6000113.4R273 A276R273-D278 PolarHBondContact O-N 2.89Å; A276-D278 HydrophobicContact CB-CB 3.98Å; A276-D278 PolarHBondContact O-N 2.91Å
279T82.4Confident78.2Confident54 Ų5467.1 Ų67.133%0.33139%0.389SS..EExtended strand (participates in β ladder)trans-106.4108.5-176.4-53.20000109.7W272 R273 V281W272-T279 CarbonylContact C-O 3.48Å; W272-T279 WeakPolarHBondContact CA-O 3.46Å; R273-T279 HydrophobicContact CG-CG2 3.85Å; R273-T279 PolarHBondContact N-O 2.83Å; R273-T279 VanDerWaalsContact O-CB 3.31Å; R273-T279 WeakPolarHBondContact O-CB 3.31Å; R273-T279 PolarHBondContact O-N 2.96Å; T279-V281 PolarHBondContact O-N 2.81Å
280L75.6Confident78.1Confident46 Ų4664.9 Ų64.924%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-61.3124.3170.8-168.977.6000109.6G271 W272G271-L280 CarbonylContact O-C 3.56Å; G271-L280 WeakPolarHBondContact O-CA 3.23Å; G271-L280 WeakPolarHBondContact O-CD1 3.12Å; W272-L280 HydrophobicContact CD2-CD1 3.99Å; W272-L280 HydrophobicContact CE3-CB 4.18Å; W272-L280 HydrophobicContact CE3-CD1 4.35Å; W272-L280 HydrophobicContact CH2-CB 4.17Å; W272-L280 HydrophobicContact CH2-CD1 3.98Å; W272-L280 HydrophobicContact CZ2-CD1 3.57Å; W272-L280 HydrophobicContact CZ3-CB 3.96Å; W272-L280 HydrophobicContact CZ3-CD1 4.36Å
281V75.5Confident78.1Confident51 Ų5157.3 Ų57.331%0.30935%0.351SS..  trans-91.7106.8165.9-174.80000107.3G271 R273 T279 Q283G271-V281 PolarHBondContact O-N 3.3Å; R273-V281 HydrophobicContact CB-CG2 3.47Å; R273-V281 VanDerWaalsContact CB-CG2 3.47Å; R273-V281 HydrophobicContact CG-CG2 3.33Å; T279-V281 PolarHBondContact O-N 2.81Å; V281-Q283 HydrophobicContact CG1-CG 4.13Å; V281-Q283 PolarHBondContact O-N 3.07Å
282C70Confident78.4Confident36 Ų3662 Ų6224%0.24337%0.368CS..  trans-62.689.6160.1-63.90000107.7C293C282-C293 HydrophobicContact CB-CB 3.83Å; C282-C293 WeakPolarHBondContact CB-SG 3.13Å; C282-C293 WeakPolarHBondContact SG-CB 3.37Å; C282-C293 CovalentContact SG-SG 2.03Å; C282-C293 PolarHBondContact SG-SG 3.41Å
283Q61.5Low78.1Confident86 Ų8662 Ų6240%0.40238%0.377SS..PPolyproline II helixtrans-63.4144.8174.9-72.6-164.3-17.900108.6V281 P285V281-Q283 HydrophobicContact CG1-CG 4.13Å; V281-Q283 PolarHBondContact O-N 3.07Å; Q283-P285 CarbonylContact O-C 3.56Å
284P60.9Low77.6Confident126 Ų12656 Ų5682%0.81836%0.358SS*.SBendtrans-49.1132.8174.9-27.734.6000111.9
285P55.9Low76.8Confident91 Ų9158.4 Ų58.459%0.59137%0.374SS*.SBendcis-73.91397.12.813.7000110.8Q283Q283-P285 CarbonylContact O-C 3.56Å
286A71.9Confident76.2Confident62 Ų6260 Ų6051%0.51238%0.38SS..  trans-49.7177.8165.200000110.1G288A286-G288 PolarHBondContact O-N 3.38Å
287C76.9Confident75.7Confident3 Ų360.4 Ų60.42%0.0239%0.385CS..SBendtrans-64.840.8174.4-56.40000113.7H290 G291 F292 C298 N308 C309C287-H290 CarbonylContact O-C 3.6Å; C287-G291 VanDerWaalsContact CB-C 3.44Å; C287-G291 WeakPolarHBondContact CB-O 3.02Å; C287-G291 VanDerWaalsContact O-CA 3.29Å; C287-G291 WeakPolarHBondContact O-CA 2.97Å; C287-G291 PolarHBondContact O-N 3.19Å; C287-F292 VanDerWaalsContact SG-C 3.54Å; C287-C298 WeakPolarHBondContact CA-SG 3Å; C287-C298 HydrophobicContact CB-CB 3.62Å; C287-C298 WeakPolarHBondContact CB-SG 3.22Å; C287-C298 WeakPolarHBondContact SG-CA 3.4Å; C287-C298 WeakPolarHBondContact SG-CB 3.32Å; C287-C298 CovalentContact SG-SG 2.03Å; C287-C298 PolarHBondContact SG-SG 2.04Å; C287-N308 CarbonylContact C-O 3.5Å; C287-C309 WeakPolarHBondContact O-CB 3.4Å
288G77.1Confident75.4Confident24 Ų2461.9 Ų61.925%0.24740%0.396CS..  trans59.1-168.6-17100000111.5A286 N308A286-G288 PolarHBondContact O-N 3.38Å; G288-N308 PolarHBondContact N-O 3.34Å
289P81.3Confident75.4Confident110 Ų11060.8 Ų60.871%0.71439%0.389SS*.SBendtrans-76.6-0.5159.431.8-31.5000112.7
290H87.8Confident75.8Confident56 Ų5658.4 Ų58.426%0.25937%0.374SS..SBendtrans-119.731.5-170.6-57.9-53.7000113.1C287 C300 D301 W304 C309C287-H290 CarbonylContact O-C 3.6Å; H290-C300 CarbonylContact O-C 3.4Å; H290-C300 WeakPolarHBondContact O-CA 3.37Å; H290-D301 VanDerWaalsContact CA-OD2 3.28Å; H290-D301 WeakPolarHBondContact CA-OD2 3.39Å; H290-D301 PolarHBondContact O-N 2.87Å; H290-W304 HydrophobicContact CB-CB 3.94Å; H290-W304 HydrophobicContact CB-CD2 3.77Å; H290-W304 HydrophobicContact CB-CE3 4.44Å; H290-W304 HydrophobicContact CB-CG 3.47Å; H290-W304 VanDerWaalsContact CB-CG 3.47Å; H290-W304 AromaticContact CD2-CD2 3.37Å; H290-W304 AromaticContact CD2-CE2 3.15Å; H290-W304 AromaticContact CD2-CE3 3.64Å; H290-W304 AromaticContact CD2-CH2 3.56Å; H290-W304 AromaticContact CD2-CZ2 3.27Å; H290-W304 WeakPolarHBondContact CD2-CZ2 2.92Å; H290-W304 AromaticContact CD2-CZ3 3.73Å; H290-W304 AromaticContact CD2-NE1 3.66Å; H290-W304 AromaticContact CE1-CE2 3.79Å; H290-W304 AromaticContact CE1-CZ2 3.75Å; H290-W304 AromaticContact CE1-NE1 3.78Å; H290-W304 AromaticContact CG-CD1 3.63Å; H290-W304 AromaticContact CG-CD2 3.58Å; H290-W304 AromaticContact CG-CE2 3.41Å; H290-W304 VanDerWaalsContact CG-CE2 3.41Å; H290-W304 AromaticContact CG-CG 3.74Å; H290-W304 AromaticContact CG-CZ2 3.97Å; H290-W304 AromaticContact CG-NE1 3.4Å; H290-W304 AromaticContact ND1-CD1 3.98Å; H290-W304 AromaticContact ND1-CE2 3.8Å; H290-W304 AromaticContact ND1-NE1 3.49Å; H290-W304 PolarHBondContact ND1-NE1 3.28Å; H290-W304 AromaticContact NE2-CE2 3.44Å; H290-W304 AromaticContact NE2-CH2 3.57Å; H290-W304 AromaticContact NE2-CZ2 3.13Å; H290-W304 WeakPolarHBondContact NE2-CZ2 3.22Å; H290-W304 AromaticContact NE2-NE1 3.9Å; H290-C309 HydrophobicContact CB-CB 4.38Å; H290-C309 VanDerWaalsContact O-CB 3.27Å; H290-C309 WeakPolarHBondContact O-CB 3.34Å
291G85.6Confident76.6Confident19 Ų1959.7 Ų59.720%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-175.8167.3178.600000112.8C287 I299C287-G291 VanDerWaalsContact CB-C 3.44Å; C287-G291 WeakPolarHBondContact CB-O 3.02Å; C287-G291 VanDerWaalsContact O-CA 3.29Å; C287-G291 WeakPolarHBondContact O-CA 2.97Å; C287-G291 PolarHBondContact O-N 3.19Å; G291-I299 CarbonylContact C-O 3.6Å; G291-I299 WeakPolarHBondContact CA-O 3.14Å
292F83Confident77.4Confident111 Ų11159 Ų5949%0.48738%0.381SS..EExtended strand (participates in β ladder)trans-130.7148.5178.362.3-85.2000111.1C287 T294 I299C287-F292 VanDerWaalsContact SG-C 3.54Å; F292-T294 HydrophobicContact CD2-CG2 3.64Å; F292-T294 HydrophobicContact CE2-CG2 3.42Å; F292-T294 VanDerWaalsContact CE2-CG2 3.42Å; F292-I299 HydrophobicContact CD1-CB 4.49Å; F292-I299 HydrophobicContact CE1-CB 4.01Å; F292-I299 HydrophobicContact CE1-CG2 3.88Å; F292-I299 HydrophobicContact CE2-CB 4.18Å; F292-I299 HydrophobicContact CE2-CD1 4.01Å; F292-I299 HydrophobicContact CE2-CG1 4.48Å; F292-I299 HydrophobicContact CZ-CB 3.84Å; F292-I299 HydrophobicContact CZ-CD1 3.99Å; F292-I299 HydrophobicContact CZ-CG1 4.44Å; F292-I299 HydrophobicContact CZ-CG2 3.83Å; F292-I299 PolarHBondContact N-O 2.98Å; F292-I299 PolarHBondContact O-N 2.62Å
293C79.9Confident78.4Confident60 Ų6057.4 Ų57.441%0.40537%0.371SS..EExtended strand (participates in β ladder)trans-81.2128.2-175.8-171.40000110.4C282C282-C293 HydrophobicContact CB-CB 3.83Å; C282-C293 WeakPolarHBondContact CB-SG 3.13Å; C282-C293 WeakPolarHBondContact SG-CB 3.37Å; C282-C293 CovalentContact SG-SG 2.03Å; C282-C293 PolarHBondContact SG-SG 3.41Å
294T74.3Confident79.9Confident34 Ų3456.2 Ų56.221%0.20936%0.363CS..EExtended strand (participates in β ladder)trans-126.2173.3173.8670000111.2F292 S296 G297 I299F292-T294 HydrophobicContact CD2-CG2 3.64Å; F292-T294 HydrophobicContact CE2-CG2 3.42Å; F292-T294 VanDerWaalsContact CE2-CG2 3.42Å; T294-S296 PolarHBondContact O-N 3.17Å; T294-S296 VanDerWaalsContact O-N 3.1Å; T294-S296 PolarHBondContact OG1-OG 3.12Å; T294-G297 PolarHBondContact N-O 3.39Å; T294-G297 PolarHBondContact O-N 3.03Å; T294-G297 PolarHBondContact OG1-O 2.93Å; T294-I299 HydrophobicContact CG2-CD1 3.49Å; T294-I299 VanDerWaalsContact CG2-CD1 3.49Å; T294-I299 HydrophobicContact CG2-CG1 3.85Å
295A65.8Low81.2Confident86 Ų8655 Ų5571%0.71134%0.342SS*.THydrogen-bonded Turntrans-59.7-19.9177.700000113.6
296S72.4Confident82.6Confident109 Ų10952 Ų5276%0.76233%0.329SS*.THydrogen-bonded Turntrans-100.69.5177.753.70000114T294T294-S296 PolarHBondContact O-N 3.17Å; T294-S296 VanDerWaalsContact O-N 3.1Å; T294-S296 PolarHBondContact OG1-OG 3.12Å
297G76.3Confident83Confident16 Ų1655.5 Ų55.517%0.16534%0.344CS..EExtended strand (participates in β ladder)trans105.2-162.2-175.300000113.6T294T294-G297 PolarHBondContact N-O 3.39Å; T294-G297 PolarHBondContact O-N 3.03Å; T294-G297 PolarHBondContact OG1-O 2.93Å
298C83Confident83.3Confident32 Ų3257.3 Ų57.322%0.21635%0.353CS..EExtended strand (participates in β ladder)trans-76.2125.5-179.5-70.90000111.5C287 T307C287-C298 WeakPolarHBondContact CA-SG 3Å; C287-C298 HydrophobicContact CB-CB 3.62Å; C287-C298 WeakPolarHBondContact CB-SG 3.22Å; C287-C298 WeakPolarHBondContact SG-CA 3.4Å; C287-C298 WeakPolarHBondContact SG-CB 3.32Å; C287-C298 CovalentContact SG-SG 2.03Å; C287-C298 PolarHBondContact SG-SG 2.04Å; C298-T307 PolarHBondContact SG-O 2.8Å; C298-T307 VanDerWaalsContact SG-O 3.34Å
299I87.1Confident83.9Confident65 Ų6556.1 Ų56.133%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-95.4121.3165.9-60.5-175.4000106.9G291 F292 T294G291-I299 CarbonylContact C-O 3.6Å; G291-I299 WeakPolarHBondContact CA-O 3.14Å; F292-I299 HydrophobicContact CD1-CB 4.49Å; F292-I299 HydrophobicContact CE1-CB 4.01Å; F292-I299 HydrophobicContact CE1-CG2 3.88Å; F292-I299 HydrophobicContact CE2-CB 4.18Å; F292-I299 HydrophobicContact CE2-CD1 4.01Å; F292-I299 HydrophobicContact CE2-CG1 4.48Å; F292-I299 HydrophobicContact CZ-CB 3.84Å; F292-I299 HydrophobicContact CZ-CD1 3.99Å; F292-I299 HydrophobicContact CZ-CG1 4.44Å; F292-I299 HydrophobicContact CZ-CG2 3.83Å; F292-I299 PolarHBondContact N-O 2.98Å; F292-I299 PolarHBondContact O-N 2.62Å; T294-I299 HydrophobicContact CG2-CD1 3.49Å; T294-I299 VanDerWaalsContact CG2-CD1 3.49Å; T294-I299 HydrophobicContact CG2-CG1 3.85Å
300C90.3Very high84.2Confident3 Ų353.8 Ų53.82%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-93.4140.9-176.9-54.30000111.6H290 W304 C309 S321H290-C300 CarbonylContact O-C 3.4Å; H290-C300 WeakPolarHBondContact O-CA 3.37Å; C300-W304 HydrophobicContact CB-CB 4.26Å; C300-W304 VanDerWaalsContact CB-O 3.28Å; C300-W304 WeakPolarHBondContact CB-O 2.96Å; C300-C309 WeakPolarHBondContact CA-SG 3.48Å; C300-C309 HydrophobicContact CB-CB 3.61Å; C300-C309 WeakPolarHBondContact CB-SG 3.41Å; C300-C309 WeakPolarHBondContact SG-CA 3.3Å; C300-C309 WeakPolarHBondContact SG-CB 3.39Å; C300-C309 CovalentContact SG-SG 2.04Å; C300-C309 PolarHBondContact SG-SG 3.22Å; C300-S321 PolarHBondContact O-N 2.03Å
301D92.5Very high84.2Confident73 Ų7355.6 Ų55.639%0.3934%0.336SS..PPolyproline II helixtrans-60.5161.8171.5-64-28.6000110.5H290 G303 W304H290-D301 VanDerWaalsContact CA-OD2 3.28Å; H290-D301 WeakPolarHBondContact CA-OD2 3.39Å; H290-D301 PolarHBondContact O-N 2.87Å; D301-G303 PolarHBondContact O-N 2.99Å; D301-W304 PolarHBondContact O-N 3.43Å; D301-W304 VanDerWaalsContact O-N 3.14Å
302A92.3Very high84.4Confident36 Ų3657.2 Ų57.230%0.29835%0.348SS..BIsolated β-bridgetrans-58.6135.8177.800000111.5G319 Q337A302-G319 WeakPolarHBondContact CA-O 3.34Å; A302-Q337 HydrophobicContact CB-CB 4.29Å
303G90.8Very high84.7Confident4 Ų452.8 Ų52.84%0.04133%0.33CS..THydrogen-bonded Turntrans89-2.1-176.400000114.9D301 A312 C313 G319 P336D301-G303 PolarHBondContact O-N 2.99Å; G303-A312 CarbonylContact O-C 3.57Å; G303-A312 WeakPolarHBondContact O-CA 3.5Å; G303-C313 WeakPolarHBondContact CA-SG 3.29Å; G303-C313 PolarHBondContact O-N 3.19Å; G303-G319 PolarHBondContact N-O 3.24Å; G303-P336 WeakPolarHBondContact CA-O 3.13Å; G303-P336 PolarHBondContact N-O 2.8Å
304W92.5Very high85.1Confident61 Ų6152.1 Ų52.123%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-128.7151.7-178.7-61.490.2000112.3H290 C300 D301 E311 S321H290-W304 HydrophobicContact CB-CB 3.94Å; H290-W304 HydrophobicContact CB-CD2 3.77Å; H290-W304 HydrophobicContact CB-CE3 4.44Å; H290-W304 HydrophobicContact CB-CG 3.47Å; H290-W304 VanDerWaalsContact CB-CG 3.47Å; H290-W304 AromaticContact CD2-CD2 3.37Å; H290-W304 AromaticContact CD2-CE2 3.15Å; H290-W304 AromaticContact CD2-CE3 3.64Å; H290-W304 AromaticContact CD2-CH2 3.56Å; H290-W304 AromaticContact CD2-CZ2 3.27Å; H290-W304 WeakPolarHBondContact CD2-CZ2 2.92Å; H290-W304 AromaticContact CD2-CZ3 3.73Å; H290-W304 AromaticContact CD2-NE1 3.66Å; H290-W304 AromaticContact CE1-CE2 3.79Å; H290-W304 AromaticContact CE1-CZ2 3.75Å; H290-W304 AromaticContact CE1-NE1 3.78Å; H290-W304 AromaticContact CG-CD1 3.63Å; H290-W304 AromaticContact CG-CD2 3.58Å; H290-W304 AromaticContact CG-CE2 3.41Å; H290-W304 VanDerWaalsContact CG-CE2 3.41Å; H290-W304 AromaticContact CG-CG 3.74Å; H290-W304 AromaticContact CG-CZ2 3.97Å; H290-W304 AromaticContact CG-NE1 3.4Å; H290-W304 AromaticContact ND1-CD1 3.98Å; H290-W304 AromaticContact ND1-CE2 3.8Å; H290-W304 AromaticContact ND1-NE1 3.49Å; H290-W304 PolarHBondContact ND1-NE1 3.28Å; H290-W304 AromaticContact NE2-CE2 3.44Å; H290-W304 AromaticContact NE2-CH2 3.57Å; H290-W304 AromaticContact NE2-CZ2 3.13Å; H290-W304 WeakPolarHBondContact NE2-CZ2 3.22Å; H290-W304 AromaticContact NE2-NE1 3.9Å; C300-W304 HydrophobicContact CB-CB 4.26Å; C300-W304 VanDerWaalsContact CB-O 3.28Å; C300-W304 WeakPolarHBondContact CB-O 2.96Å; D301-W304 PolarHBondContact O-N 3.43Å; D301-W304 VanDerWaalsContact O-N 3.14Å; W304-E311 CarbonylContact C-O 3.55Å; W304-E311 VanDerWaalsContact CA-O 3.28Å; W304-E311 WeakPolarHBondContact CA-O 3.35Å; W304-S321 VanDerWaalsContact O-CA 3.23Å; W304-S321 WeakPolarHBondContact O-CA 3.22Å; W304-S321 PolarHBondContact O-N 3.08Å
305R89.4Confident85.6Confident99 Ų9955 Ų5537%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-151.6-174.6177.565.6169.4-156.7155.114.8111.4C309 E311 C322R305-C309 CarbonylContact O-C 3.53Å; R305-C309 VanDerWaalsContact O-CA 3.28Å; R305-C309 WeakPolarHBondContact O-CA 3.25Å; R305-E311 HydrophobicContact CG-CB 4.01Å; R305-E311 IonicContact CZ-OE2 3.51Å; R305-E311 PolarHBondContact N-O 3.17Å; R305-E311 IonicContact NE-OE2 3.33Å; R305-E311 PolarHBondContact NE-OE2 2.99Å; R305-E311 IonicContact NH2-OE2 2.92Å; R305-E311 PolarHBondContact NH2-OE2 3.46Å; R305-E311 WeakPolarHBondContact O-CB 3.23Å; R305-E311 PolarHBondContact O-N 3.49Å; R305-E311 VanDerWaalsContact O-N 3.16Å; R305-C322 HydrophobicContact CB-CB 4.4Å; R305-C322 VanDerWaalsContact CB-SG 3.58Å
306G84.9Confident86.5Confident30 Ų3051.3 Ų51.331%0.30931%0.309SS..SBendtrans97168.8-179.600000111.4N308 C309G306-N308 PolarHBondContact O-N 3.16Å; G306-N308 VanDerWaalsContact O-N 3.1Å; G306-C309 PolarHBondContact O-N 3.2Å
307T79.6Confident87.2Confident135 Ų13549.8 Ų49.883%0.82829%0.289SS*.THydrogen-bonded Turntrans-64.8-16.8-175.152.30000113.6C298C298-T307 PolarHBondContact SG-O 2.8Å; C298-T307 VanDerWaalsContact SG-O 3.34Å
308N83.2Confident87.9Confident40 Ų4050.5 Ų50.521%0.21429%0.288CS..THydrogen-bonded Turntrans-131.918.5179.170.3-7.7000113.1C287 G288 G306 S310C287-N308 CarbonylContact C-O 3.5Å; G288-N308 PolarHBondContact N-O 3.34Å; G306-N308 PolarHBondContact O-N 3.16Å; G306-N308 VanDerWaalsContact O-N 3.1Å; N308-S310 PolarHBondContact ND2-OG 2.92Å; N308-S310 PolarHBondContact O-N 2.85Å; N308-S310 PolarHBondContact O-OG 2.67Å; N308-S310 WeakPolarHBondContact OD1-CB 3.33Å; N308-S310 PolarHBondContact OD1-N 3.5Å; N308-S310 VanDerWaalsContact OD1-N 3.16Å; N308-S310 PolarHBondContact OD1-OG 2.99Å; N308-S310 VanDerWaalsContact OD1-OG 3.08Å
309C89.3Confident88.2Confident0 Ų049.1 Ų49.10%028%0.279CS..SBendtrans51.932179.7-45.80000115.2C287 H290 C300 R305 G306C287-C309 WeakPolarHBondContact O-CB 3.4Å; H290-C309 HydrophobicContact CB-CB 4.38Å; H290-C309 VanDerWaalsContact O-CB 3.27Å; H290-C309 WeakPolarHBondContact O-CB 3.34Å; C300-C309 WeakPolarHBondContact CA-SG 3.48Å; C300-C309 HydrophobicContact CB-CB 3.61Å; C300-C309 WeakPolarHBondContact CB-SG 3.41Å; C300-C309 WeakPolarHBondContact SG-CA 3.3Å; C300-C309 WeakPolarHBondContact SG-CB 3.39Å; C300-C309 CovalentContact SG-SG 2.04Å; C300-C309 PolarHBondContact SG-SG 3.22Å; R305-C309 CarbonylContact O-C 3.53Å; R305-C309 VanDerWaalsContact O-CA 3.28Å; R305-C309 WeakPolarHBondContact O-CA 3.25Å; G306-C309 PolarHBondContact O-N 3.2Å
310S87.7Confident88.3Confident61 Ų6148.6 Ų48.643%0.42729%0.285SS..  trans-99.9-3.6178.8-57.40000113.2N308N308-S310 PolarHBondContact ND2-OG 2.92Å; N308-S310 PolarHBondContact O-N 2.85Å; N308-S310 PolarHBondContact O-OG 2.67Å; N308-S310 WeakPolarHBondContact OD1-CB 3.33Å; N308-S310 PolarHBondContact OD1-N 3.5Å; N308-S310 VanDerWaalsContact OD1-N 3.16Å; N308-S310 PolarHBondContact OD1-OG 2.99Å; N308-S310 VanDerWaalsContact OD1-OG 3.08Å
311E88.7Confident88.2Confident93 Ų9351.3 Ų51.344%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-101131.3177.1-63.9176.7-148.800110.3W304 R305W304-E311 CarbonylContact C-O 3.55Å; W304-E311 VanDerWaalsContact CA-O 3.28Å; W304-E311 WeakPolarHBondContact CA-O 3.35Å; R305-E311 HydrophobicContact CG-CB 4.01Å; R305-E311 IonicContact CZ-OE2 3.51Å; R305-E311 PolarHBondContact N-O 3.17Å; R305-E311 IonicContact NE-OE2 3.33Å; R305-E311 PolarHBondContact NE-OE2 2.99Å; R305-E311 IonicContact NH2-OE2 2.92Å; R305-E311 PolarHBondContact NH2-OE2 3.46Å; R305-E311 WeakPolarHBondContact O-CB 3.23Å; R305-E311 PolarHBondContact O-N 3.49Å; R305-E311 VanDerWaalsContact O-N 3.16Å
312A89.6Confident88.1Confident54 Ų5448.3 Ų48.345%0.44629%0.288SS..EExtended strand (participates in β ladder)trans-69159.2169.500000111.1G303G303-A312 CarbonylContact O-C 3.57Å; G303-A312 WeakPolarHBondContact O-CA 3.5Å
313C89.9Confident88Confident18 Ų1850.8 Ų50.812%0.12231%0.308CS..PPolyproline II helixtrans-59.8137.9175.7-69.50000112.5G303 F317 C322 P336G303-C313 WeakPolarHBondContact CA-SG 3.29Å; G303-C313 PolarHBondContact O-N 3.19Å; C313-F317 WeakPolarHBondContact CB-O 3.28Å; C313-C322 WeakPolarHBondContact CA-SG 3.48Å; C313-C322 HydrophobicContact CB-CB 3.86Å; C313-C322 WeakPolarHBondContact CB-SG 3.31Å; C313-C322 VanDerWaalsContact SG-CA 3.55Å; C313-C322 WeakPolarHBondContact SG-CB 3.37Å; C313-C322 CovalentContact SG-SG 2.02Å; C313-C322 PolarHBondContact SG-SG 2.91Å; C313-P336 HydrophobicContact CB-CB 3.98Å
314P87.9Confident88Confident45 Ų4555.6 Ų55.629%0.29233%0.33SS..PPolyproline II helixtrans-62.5152.2169.927.4-32.4000109.7G316 F317P314-G316 PolarHBondContact O-N 3.06Å; P314-F317 HydrophobicContact CB-CD2 4.42Å; P314-F317 HydrophobicContact CG-CB 4.14Å; P314-F317 HydrophobicContact CG-CD2 3.79Å; P314-F317 HydrophobicContact CG-CG 4.17Å; P314-F317 PolarHBondContact O-N 3.23Å
315L84.4Confident87.8Confident94 Ų9459.1 Ų59.149%0.49235%0.349SS..THydrogen-bonded Turntrans-53.6130.2176.1-68.7172.6000110P333L315-P333 HydrophobicContact CD2-CB 3.96Å; L315-P333 HydrophobicContact CD2-CG 4.22Å
316G84.2Confident87.6Confident10 Ų1055.1 Ų55.110%0.10334%0.336CS..THydrogen-bonded Turntrans93.50.5-17800000115.8P314 E325 C326 C332P314-G316 PolarHBondContact O-N 3.06Å; G316-E325 CarbonylContact O-C 3.57Å; G316-E325 WeakPolarHBondContact O-CA 3.31Å; G316-C326 VanDerWaalsContact CA-SG 3.51Å; G316-C326 PolarHBondContact O-N 2.87Å; G316-C332 WeakPolarHBondContact CA-SG 3.28Å; G316-C332 PolarHBondContact N-SG 2.93Å; G316-C332 VanDerWaalsContact N-SG 3.39Å
317F88.4Confident87.6Confident77 Ų7764.9 Ų64.934%0.33836%0.363SS..EExtended strand (participates in β ladder)trans-126.4147.2176.5-63.8-96.7000111.3C313 P314 C322 Q324 E325C313-F317 WeakPolarHBondContact CB-O 3.28Å; P314-F317 HydrophobicContact CB-CD2 4.42Å; P314-F317 HydrophobicContact CG-CB 4.14Å; P314-F317 HydrophobicContact CG-CD2 3.79Å; P314-F317 HydrophobicContact CG-CG 4.17Å; P314-F317 PolarHBondContact O-N 3.23Å; F317-C322 HydrophobicContact CB-CB 4.03Å; F317-Q324 CarbonylContact C-O 3.56Å; F317-Q324 WeakPolarHBondContact CA-O 3.45Å; F317-E325 HydrophobicContact CD1-CG 3.91Å; F317-E325 HydrophobicContact CE1-CG 3.44Å; F317-E325 VanDerWaalsContact CE1-CG 3.44Å; F317-E325 HydrophobicContact CZ-CG 4.03Å
318F90.1Very high87.6Confident30 Ų3059.6 Ų59.613%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-146.9172.7179.977.7-83.4000112.2C322 Q324 E325 D335 P336F318-C322 CarbonylContact O-C 3.46Å; F318-Q324 HydrophobicContact CD1-CB 3.91Å; F318-Q324 HydrophobicContact CD2-CB 4.4Å; F318-Q324 HydrophobicContact CE1-CB 3.59Å; F318-Q324 HydrophobicContact CE2-CB 4.13Å; F318-Q324 HydrophobicContact CG-CB 4.31Å; F318-Q324 HydrophobicContact CZ-CB 3.71Å; F318-Q324 HydrophobicContact CZ-CG 4.44Å; F318-Q324 VanDerWaalsContact CZ-OE1 3.23Å; F318-Q324 PolarHBondContact N-O 2.03Å; F318-Q324 WeakPolarHBondContact O-CB 3.31Å; F318-Q324 PolarHBondContact O-N 3.43Å; F318-Q324 VanDerWaalsContact O-N 3.13Å; F318-E325 WeakPolarHBondContact CE1-O 3.42Å; F318-D335 WeakPolarHBondContact CB-O 3.43Å; F318-P336 CarbonylContact C-O 3.55Å; F318-P336 WeakPolarHBondContact CA-O 3.2Å; F318-P336 WeakPolarHBondContact CB-O 3.4Å
319G89.1Confident87Confident4 Ų465.7 Ų65.74%0.04136%0.364CS..SBendtrans85-176176.800000113.5A302 G303 S321 C322 P336A302-G319 WeakPolarHBondContact CA-O 3.34Å; G303-G319 PolarHBondContact N-O 3.24Å; G319-S321 PolarHBondContact O-N 3.46Å; G319-C322 PolarHBondContact O-N 2.85Å; G319-P336 PolarHBondContact N-O 3.18Å
320A89.6Confident85.8Confident54 Ų5473.1 Ų73.145%0.44640%0.404SS..BIsolated β-bridgetrans-60.3131-177.600000110.9C322 A323A320-C322 PolarHBondContact O-N 2.98Å; A320-A323 WeakPolarHBondContact O-CB 3.31Å; A320-A323 PolarHBondContact O-N 2.91Å
321S87.3Confident84.5Confident59 Ų5977 Ų7741%0.41342%0.419SS..THydrogen-bonded Turntrans52.320.5-173.9-580000114.3C300 W304 G319 A323C300-S321 PolarHBondContact O-N 2.03Å; W304-S321 VanDerWaalsContact O-CA 3.23Å; W304-S321 WeakPolarHBondContact O-CA 3.22Å; W304-S321 PolarHBondContact O-N 3.08Å; G319-S321 PolarHBondContact O-N 3.46Å; S321-A323 VanDerWaalsContact C-N 3.26Å; S321-A323 PolarHBondContact O-N 3.05Å
322C91Very high83.5Confident11 Ų1175.1 Ų75.17%0.07442%0.416CS..THydrogen-bonded Turntrans55.934.7-176.3-45.10000114.2R305 C313 F317 F318 G319 A320 Q324R305-C322 HydrophobicContact CB-CB 4.4Å; R305-C322 VanDerWaalsContact CB-SG 3.58Å; C313-C322 WeakPolarHBondContact CA-SG 3.48Å; C313-C322 HydrophobicContact CB-CB 3.86Å; C313-C322 WeakPolarHBondContact CB-SG 3.31Å; C313-C322 VanDerWaalsContact SG-CA 3.55Å; C313-C322 WeakPolarHBondContact SG-CB 3.37Å; C313-C322 CovalentContact SG-SG 2.02Å; C313-C322 PolarHBondContact SG-SG 2.91Å; F317-C322 HydrophobicContact CB-CB 4.03Å; F318-C322 CarbonylContact O-C 3.46Å; G319-C322 PolarHBondContact O-N 2.85Å; A320-C322 PolarHBondContact O-N 2.98Å; C322-Q324 PolarHBondContact O-N 3.45Å
323A90.9Very high82.7Confident87 Ų8775.6 Ų75.672%0.71941%0.414SS*.  trans-74.5-6.6-173.800000114.8A320 S321A320-A323 WeakPolarHBondContact O-CB 3.31Å; A320-A323 PolarHBondContact O-N 2.91Å; S321-A323 VanDerWaalsContact C-N 3.26Å; S321-A323 PolarHBondContact O-N 3.05Å
324Q90.1Very high82.3Confident106 Ų10675.1 Ų75.150%0.49541%0.411SS..EExtended strand (participates in β ladder)trans-117.2142.3-175.6-58.4-179.351.100111.6F317 F318 C322F317-Q324 CarbonylContact C-O 3.56Å; F317-Q324 WeakPolarHBondContact CA-O 3.45Å; F318-Q324 HydrophobicContact CD1-CB 3.91Å; F318-Q324 HydrophobicContact CD2-CB 4.4Å; F318-Q324 HydrophobicContact CE1-CB 3.59Å; F318-Q324 HydrophobicContact CE2-CB 4.13Å; F318-Q324 HydrophobicContact CG-CB 4.31Å; F318-Q324 HydrophobicContact CZ-CB 3.71Å; F318-Q324 HydrophobicContact CZ-CG 4.44Å; F318-Q324 VanDerWaalsContact CZ-OE1 3.23Å; F318-Q324 PolarHBondContact N-O 2.03Å; F318-Q324 WeakPolarHBondContact O-CB 3.31Å; F318-Q324 PolarHBondContact O-N 3.43Å; F318-Q324 VanDerWaalsContact O-N 3.13Å; C322-Q324 PolarHBondContact O-N 3.45Å
325E88.3Confident82.3Confident135 Ų13575 Ų7563%0.63141%0.408SS*.EExtended strand (participates in β ladder)trans-91.4136176-73175.7-170.200111.6G316 F317 F318 R327G316-E325 CarbonylContact O-C 3.57Å; G316-E325 WeakPolarHBondContact O-CA 3.31Å; F317-E325 HydrophobicContact CD1-CG 3.91Å; F317-E325 HydrophobicContact CE1-CG 3.44Å; F317-E325 VanDerWaalsContact CE1-CG 3.44Å; F317-E325 HydrophobicContact CZ-CG 4.03Å; F318-E325 WeakPolarHBondContact CE1-O 3.42Å; E325-R327 PolarHBondContact O-N 3.38Å
326C85.9Confident82.4Confident14 Ų1472.8 Ų72.810%0.09540%0.399CS..  trans-60.3130.3173-64.70000110.5G316 C334G316-C326 VanDerWaalsContact CA-SG 3.51Å; G316-C326 PolarHBondContact O-N 2.87Å; C326-C334 HydrophobicContact CB-CB 3.77Å; C326-C334 WeakPolarHBondContact CB-SG 3.25Å; C326-C334 WeakPolarHBondContact SG-CB 3.18Å; C326-C334 CovalentContact SG-SG 2.02Å; C326-C334 PolarHBondContact SG-SG 3.16Å
327R83.6Confident82.7Confident235 Ų23577.8 Ų77.889%0.88742%0.42SS*.  trans-114.267.1174.5-65-176179.61730.3110.6E325E325-R327 PolarHBondContact O-N 3.38Å
328C80.2Confident82.6Confident24 Ų2478.6 Ų78.616%0.16243%0.431CS..  trans-105.8146.4173.6-49.40000109.1D330 L331 C334 C341C328-D330 PolarHBondContact O-N 2.97Å; C328-L331 PolarHBondContact O-N 3.22Å; C328-L331 VanDerWaalsContact O-N 3.13Å; C328-C334 VanDerWaalsContact SG-CB 3.56Å; C328-C341 VanDerWaalsContact CA-SG 3.52Å; C328-C341 HydrophobicContact CB-CB 3.87Å; C328-C341 WeakPolarHBondContact CB-SG 3.28Å; C328-C341 WeakPolarHBondContact SG-CB 3.4Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 3.37Å
329D71.2Confident82.4Confident169 Ų16977.9 Ų77.990%0.90443%0.432SS*.THydrogen-bonded Turntrans-55.9-26.8-171.9-66.2-41000114
330D63Low82.2Confident155 Ų15580 Ų8083%0.82945%0.447SS*.THydrogen-bonded Turntrans-108.111.8-178.3-67.6-42.3000115.8C328C328-D330 PolarHBondContact O-N 2.97Å
331L62.2Low81.7Confident144 Ų14480.9 Ų80.975%0.75445%0.449SS*.SBendtrans49.686.3-178.4-84.5129000114.5C328C328-L331 PolarHBondContact O-N 3.22Å; C328-L331 VanDerWaalsContact O-N 3.13Å
332C67Low81Confident52 Ų5285.3 Ų85.335%0.35147%0.468SS..  trans76.2142.4169-44.50000117.4G316G316-C332 WeakPolarHBondContact CA-SG 3.28Å; G316-C332 PolarHBondContact N-SG 2.93Å; G316-C332 VanDerWaalsContact N-SG 3.39Å
333P73.4Confident79.7Confident64 Ų6487.2 Ų87.242%0.41648%0.479SS..  cis-94.4147.55.7-6.626.9000115.2L315 L345L315-P333 HydrophobicContact CD2-CB 3.96Å; L315-P333 HydrophobicContact CD2-CG 4.22Å; P333-L345 HydrophobicContact CB-CD1 3.45Å; P333-L345 VanDerWaalsContact CB-CD1 3.45Å; P333-L345 HydrophobicContact CG-CD1 3.62Å
334C81.6Confident78.1Confident9 Ų989.8 Ų89.86%0.06149%0.486CS..  trans-114.7164.5164.3850000110.5C326 C328C326-C334 HydrophobicContact CB-CB 3.77Å; C326-C334 WeakPolarHBondContact CB-SG 3.25Å; C326-C334 WeakPolarHBondContact SG-CB 3.18Å; C326-C334 CovalentContact SG-SG 2.02Å; C326-C334 PolarHBondContact SG-SG 3.16Å; C328-C334 VanDerWaalsContact SG-CB 3.56Å
335D87.3Confident76.4Confident41 Ų4188.8 Ų88.822%0.21948%0.484CS..  trans-58.6124.5177.8-172.6-80000111.3F318 Q337 T338 G339 S340 T343F318-D335 WeakPolarHBondContact CB-O 3.43Å; D335-Q337 VanDerWaalsContact C-N 3.25Å; D335-Q337 PolarHBondContact O-N 3.03Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.02Å; D335-Q337 WeakPolarHBondContact OD1-CB 2.99Å; D335-Q337 PolarHBondContact OD1-N 3.12Å; D335-T338 VanDerWaalsContact CB-OG1 3.23Å; D335-T338 WeakPolarHBondContact CB-OG1 3.02Å; D335-T338 PolarHBondContact OD1-N 3.38Å; D335-T338 PolarHBondContact OD1-OG1 3.04Å; D335-G339 VanDerWaalsContact O-CA 3.3Å; D335-G339 WeakPolarHBondContact O-CA 3.15Å; D335-G339 PolarHBondContact O-N 3.24Å; D335-S340 PolarHBondContact N-O 2.82Å; D335-T343 HydrophobicContact CB-CG2 3.67Å
336P86.2Confident74.5Confident48 Ų4887.1 Ų87.131%0.31249%0.485SS..THydrogen-bonded Turntrans-69.7-19.2-174.826.7-33.9000113.6G303 C313 F318 G319G303-P336 WeakPolarHBondContact CA-O 3.13Å; G303-P336 PolarHBondContact N-O 2.8Å; C313-P336 HydrophobicContact CB-CB 3.98Å; F318-P336 CarbonylContact C-O 3.55Å; F318-P336 WeakPolarHBondContact CA-O 3.2Å; F318-P336 WeakPolarHBondContact CB-O 3.4Å; G319-P336 PolarHBondContact N-O 3.18Å
337Q90.1Very high72.6Confident115 Ų11593.2 Ų93.254%0.53752%0.521SS..THydrogen-bonded Turntrans-89.5-45.5176.7-56.3-170.5-5.200111.7A302 D335A302-Q337 HydrophobicContact CB-CB 4.29Å; D335-Q337 VanDerWaalsContact C-N 3.25Å; D335-Q337 PolarHBondContact O-N 3.03Å; D335-Q337 WeakPolarHBondContact OD1-CA 3.02Å; D335-Q337 WeakPolarHBondContact OD1-CB 2.99Å; D335-Q337 PolarHBondContact OD1-N 3.12Å
338T86.7Confident70.7Confident94 Ų9489.4 Ų89.458%0.57752%0.518SS*.THydrogen-bonded Turntrans-107.8-17.5-167.160.60000114.5D335 S340D335-T338 VanDerWaalsContact CB-OG1 3.23Å; D335-T338 WeakPolarHBondContact CB-OG1 3.02Å; D335-T338 PolarHBondContact OD1-N 3.38Å; D335-T338 PolarHBondContact OD1-OG1 3.04Å; T338-S340 VanDerWaalsContact C-N 3.25Å; T338-S340 PolarHBondContact O-N 3.03Å; T338-S340 PolarHBondContact OG1-N 3.29Å
339G85.4Confident69.1Low15 Ų1592.2 Ų92.216%0.15554%0.535CS..  trans77.68.2-174.200000114.2D335 C341D335-G339 VanDerWaalsContact O-CA 3.3Å; D335-G339 WeakPolarHBondContact O-CA 3.15Å; D335-G339 PolarHBondContact O-N 3.24Å; G339-C341 PolarHBondContact O-N 3.02Å
340S85Confident67.8Low50 Ų5092.4 Ų92.435%0.3554%0.536SS..  trans-69.5126.3-176.8-1770000112.1D335 T338 N342D335-S340 PolarHBondContact N-O 2.82Å; T338-S340 VanDerWaalsContact C-N 3.25Å; T338-S340 PolarHBondContact O-N 3.03Å; T338-S340 PolarHBondContact OG1-N 3.29Å; S340-N342 VanDerWaalsContact C-N 3.27Å; S340-N342 PolarHBondContact O-N 3.05Å; S340-N342 PolarHBondContact OG-N 3.29Å
341C78.9Confident67.1Low71 Ų7192.2 Ų92.248%0.4852%0.524SS..SBendtrans-80.3-5.1176-52.60000113.3C328 G339 T343C328-C341 VanDerWaalsContact CA-SG 3.52Å; C328-C341 HydrophobicContact CB-CB 3.87Å; C328-C341 WeakPolarHBondContact CB-SG 3.28Å; C328-C341 WeakPolarHBondContact SG-CB 3.4Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 3.37Å; G339-C341 PolarHBondContact O-N 3.02Å; C341-T343 VanDerWaalsContact C-N 3.32Å; C341-T343 PolarHBondContact O-N 3.42Å
342N73.1Confident66Low153 Ų15391.1 Ų91.182%0.81852%0.524SS*.  trans-97.235.9-176.1-165.121.8000112.4S340S340-N342 VanDerWaalsContact C-N 3.27Å; S340-N342 PolarHBondContact O-N 3.05Å; S340-N342 PolarHBondContact OG-N 3.29Å
343T63.3Low64.8Low51 Ų5196.1 Ų96.131%0.31355%0.546SS..  trans-99.2131.1-178.249.50000111.8D335 C341 L345D335-T343 HydrophobicContact CB-CG2 3.67Å; C341-T343 VanDerWaalsContact C-N 3.32Å; C341-T343 PolarHBondContact O-N 3.42Å; T343-L345 PolarHBondContact O-N 3.05Å
344T57.1Low63.1Low140 Ų140101.4 Ų101.486%0.85957%0.565SS**  trans-88.19416133.80000106.7
345L55.3Low61.1Low86 Ų86111.2 Ų111.245%0.4560%0.601SS.*  trans-59.7130.8171.7-86.2158.7000108.9P333 T343 V347P333-L345 HydrophobicContact CB-CD1 3.45Å; P333-L345 VanDerWaalsContact CB-CD1 3.45Å; P333-L345 HydrophobicContact CG-CD1 3.62Å; T343-L345 PolarHBondContact O-N 3.05Å; L345-V347 PolarHBondContact O-N 3.24Å
346P48.1Very low58.4Low100 Ų100116.7 Ų116.765%0.64963%0.63SS**  trans-57.5125.9170.2-19.630.8000109.2D348P346-D348 PolarHBondContact O-N 2.92Å
347V47Very low56.4Low142 Ų142121.5 Ų121.586%0.86165%0.651SS**THydrogen-bonded Turntrans-76.735.8-169.6-1700000112.4L345L345-V347 PolarHBondContact O-N 3.24Å
348D43.4Very low53.9Low155 Ų155124 Ų12483%0.82966%0.663SS**THydrogen-bonded Turntrans-1143.8-175.5-73.9-27.9000114.7P346P346-D348 PolarHBondContact O-N 2.92Å
349T46.2Very low51.4Low82 Ų82125.5 Ų125.550%0.50367%0.673SS.*  trans-109.2106.8173.8450000111.2Y351T349-Y351 VanDerWaalsContact C-N 3.28Å; T349-Y351 VanDerWaalsContact CB-CE2 3.42Å; T349-Y351 HydrophobicContact CG2-CE2 4.32Å; T349-Y351 WeakPolarHBondContact O-CD2 3.07Å; T349-Y351 PolarHBondContact O-N 3.2Å; T349-Y351 WeakPolarHBondContact OG1-CE2 3.49Å
350N43.9Very low48.8Very low173 Ų173132 Ų13293%0.92570%0.704SS**  trans-65.180175.1-123.2-8.4000110.4
351Y48.4Very low46.2Very low152 Ų152139.1 Ų139.160%0.59673%0.729SS**  trans-86.8108.9168.4-67.4-70000108.7T349 L353T349-Y351 VanDerWaalsContact C-N 3.28Å; T349-Y351 VanDerWaalsContact CB-CE2 3.42Å; T349-Y351 HydrophobicContact CG2-CE2 4.32Å; T349-Y351 WeakPolarHBondContact O-CD2 3.07Å; T349-Y351 PolarHBondContact O-N 3.2Å; T349-Y351 WeakPolarHBondContact OG1-CE2 3.49Å; Y351-L353 PolarHBondContact O-N 3.3Å; Y351-L353 VanDerWaalsContact O-N 3.09Å
352T38.3Very low44Very low121 Ų121141.9 Ų141.974%0.74275%0.746SS**  trans-62.5110.7167.141.70000109H354T352-H354 PolarHBondContact O-N 2.73Å
353L42.4Very low42Very low156 Ų156144.2 Ų144.282%0.81775%0.749SS**  trans-61.696.5177.1-147.196.6000109.8Y351 R355Y351-L353 PolarHBondContact O-N 3.3Å; Y351-L353 VanDerWaalsContact O-N 3.09Å; L353-R355 PolarHBondContact O-N 3.19Å
354H37.8Very low40.5Very low175 Ų175149.8 Ų149.881%0.8178%0.776SS**  trans-82.891.9167.7-98.754.3000108.7T352T352-H354 PolarHBondContact O-N 2.73Å
355R39.6Very low39.2Very low216 Ų216147.2 Ų147.282%0.81577%0.77SS**  trans-95.989.7163.1-166.8-175.474.5-177.93.6107.9L353L353-R355 PolarHBondContact O-N 3.19Å
356D31.3Very low38Very low155 Ų155149.2 Ų149.283%0.82979%0.785SS**  trans-139.6100159.4-103.2-20000109.9Q358D356-Q358 PolarHBondContact O-N 3.27Å
357I42.4Very low37.5Very low149 Ų149151 Ų15176%0.76479%0.794SS**  trans-78109.3160.7-68.4172.8000106
358Q38.2Very low36.6Very low168 Ų168150 Ų15079%0.78579%0.794SS**  trans55.599.9142.8-151.4165.916.400116.7D356D356-Q358 PolarHBondContact O-N 3.27Å
359T35.3Very low36.3Very low126 Ų126146.7 Ų146.777%0.77379%0.788SS**  -178.6141.8129.928.20000111.4
360N29.7Very low36.1Very low152 Ų152148.5 Ų148.581%0.81380%0.801SS**  trans99.4104.3159.7-55-36.3000118.7
361F30Very low35.8Very low199 Ų199149.6 Ų149.687%0.87380%0.8SS**  trans-36.8140.4150.3-85-99.3000113.4
362P33.1Very low35.5Very low128 Ų128150.7 Ų150.783%0.83181%0.808SS**PPolyproline II helixtrans-80.6122.7168.527.2-21.1000110.5
363K30.3Very low36.1Very low203 Ų203148.6 Ų148.688%0.88380%0.803SS**PPolyproline II helixtrans-102.6138.2159.9-77.9-175.5177.1176.10109.1
364D32.5Very low36.5Very low167 Ų167148 Ų14889%0.89380%0.799SS**PPolyproline II helixtrans-52.4149.4179.8-63.7-61.1000116
365A30Very low37Very low87 Ų87143.7 Ų143.772%0.71979%0.789SS**  trans179.397.2136.700000109.3
366T29.2Very low37.9Very low128 Ų128137.9 Ų137.979%0.78577%0.773SS**  71.2108.194.253.40000118.1
367V37.7Very low39.1Very low136 Ų136140.2 Ų140.282%0.82477%0.771SS**  67.2116.5128-174.20000119.9
368S28.5Very low39.9Very low123 Ų123142.3 Ų142.386%0.8677%0.769SS**  -158.3120.6121.7480000112.1
369A36.9Very low41.3Very low85 Ų85137.3 Ų137.370%0.70275%0.752SS**  trans-103.9159.215600000106.9
370P42.8Very low42.8Very low120 Ų120139.2 Ų139.278%0.77975%0.745SS**  -158.3107.295.635.3-13.3000115.1
371E37.9Very low45Very low195 Ų195137.7 Ų137.791%0.91174%0.737SS**SBendtrans-143.8-8.7154.2-77.9-162.2152.100114.7
372K42.1Very low47.5Very low175 Ų175132.8 Ų132.876%0.76172%0.723SS**  trans-10017.5-173.7-66.3-176.7-179.6177.50115.5
373A49.9Very low49.9Very low78 Ų78130.6 Ų130.665%0.64570%0.703SS**Hα-helixtrans-79.6-17.7-172.300000115.1
374I51.7Low52.5Low142 Ų142124.1 Ų124.173%0.72868%0.681SS**Hα-helixtrans-91.6-28.4-176-63171.8000112.3
375S48Very low55.2Low86 Ų86121.7 Ų121.760%0.60167%0.667SS**Hα-helixtrans-76-36.3-178.2-171.20000112.9R377 R378S375-R377 PolarHBondContact O-N 3.26Å; S375-R378 PolarHBondContact O-N 3.39Å
376I57.7Low58.2Low94 Ų94121.2 Ų121.248%0.48266%0.655SS.*Hα-helixtrans-67.9-38.7-175.8-66.7171.4000111.6R378 S379 W380I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.27Å; I376-S379 PolarHBondContact O-N 3.12Å; I376-W380 VanDerWaalsContact CG2-NE1 3.27Å; I376-W380 PolarHBondContact O-N 3.2Å; I376-W380 VanDerWaalsContact O-N 3.1Å
377R56.2Low61.1Low204 Ų204119.7 Ų119.777%0.7764%0.642SS**Hα-helixtrans-62.9-33.9-179.4-85.6-172.9174.8-171.6-0.5114S375 L381S375-R377 PolarHBondContact O-N 3.26Å; R377-L381 WeakPolarHBondContact O-CG 3.32Å; R377-L381 PolarHBondContact O-N 2.7Å
378R59.3Low63.7Low193 Ų193116.5 Ų116.573%0.72862%0.623SS**Hα-helixtrans-71.1-39.1177.6-73.5-176.6171.9177.4-2111.4S375 I376 L381 V382S375-R378 PolarHBondContact O-N 3.39Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.27Å; R378-L381 PolarHBondContact O-N 2.98Å; R378-V382 WeakPolarHBondContact O-CG2 3.01Å; R378-V382 PolarHBondContact O-N 2.77Å
379S68.6Low66.7Low62 Ų62114.1 Ų114.143%0.43461%0.605SS.*Hα-helixtrans-67.4-41177.9-55.30000112.4I376 L381 V382 I383I376-S379 PolarHBondContact O-N 3.12Å; S379-L381 PolarHBondContact O-N 3.17Å; S379-V382 PolarHBondContact O-N 3.38Å; S379-I383 WeakPolarHBondContact O-CD1 3.28Å; S379-I383 VanDerWaalsContact O-CG1 3.23Å; S379-I383 WeakPolarHBondContact O-CG1 3.35Å; S379-I383 PolarHBondContact O-N 3.28Å
380W67.2Low69.4Low166 Ų166115.2 Ų115.263%0.62960%0.599SS**Hα-helixtrans-66.6-36.8176.8-75105.6000113.1I376 V382 I383 T384I376-W380 VanDerWaalsContact CG2-NE1 3.27Å; I376-W380 PolarHBondContact O-N 3.2Å; I376-W380 VanDerWaalsContact O-N 3.1Å; W380-V382 VanDerWaalsContact C-N 3.34Å; W380-I383 PolarHBondContact O-N 3.44Å; W380-T384 WeakPolarHBondContact O-CB 3.29Å; W380-T384 WeakPolarHBondContact O-CG2 3.21Å; W380-T384 PolarHBondContact O-N 3.01Å; W380-T384 PolarHBondContact O-OG1 3.26Å
381L76.3Confident71.7Confident121 Ų121114.9 Ų114.963%0.63459%0.59SS**Hα-helixtrans-64.4-38.1174.9-80.2166.5000112.3R377 R378 S379 T384 L385R377-L381 WeakPolarHBondContact O-CG 3.32Å; R377-L381 PolarHBondContact O-N 2.7Å; R378-L381 PolarHBondContact O-N 2.98Å; S379-L381 PolarHBondContact O-N 3.17Å; L381-T384 PolarHBondContact O-OG1 3.08Å; L381-L385 VanDerWaalsContact O-CB 3.27Å; L381-L385 WeakPolarHBondContact O-CB 3.04Å; L381-L385 PolarHBondContact O-N 2.87Å
382V82.1Confident74.3Confident95 Ų95110.5 Ų110.558%0.57657%0.572SS**Hα-helixtrans-69.2-44.2176.1175.30000110.6R378 S379 W380 T384 L385 V386R378-V382 WeakPolarHBondContact O-CG2 3.01Å; R378-V382 PolarHBondContact O-N 2.77Å; S379-V382 PolarHBondContact O-N 3.38Å; W380-V382 VanDerWaalsContact C-N 3.34Å; V382-T384 PolarHBondContact O-N 2.98Å; V382-L385 PolarHBondContact O-N 2.63Å; V382-V386 HydrophobicContact CG1-CG2 4.41Å; V382-V386 VanDerWaalsContact O-CG2 3.26Å; V382-V386 WeakPolarHBondContact O-CG2 3.28Å; V382-V386 PolarHBondContact O-N 3.16Å
383I82.9Confident76.5Confident82 Ų82104.5 Ų104.542%0.42156%0.555SS.*Hα-helixtrans-63.3-44.4179.2-68164.6000110.9S379 W380 V386 L387S379-I383 WeakPolarHBondContact O-CD1 3.28Å; S379-I383 VanDerWaalsContact O-CG1 3.23Å; S379-I383 WeakPolarHBondContact O-CG1 3.35Å; S379-I383 PolarHBondContact O-N 3.28Å; W380-I383 PolarHBondContact O-N 3.44Å; I383-V386 PolarHBondContact O-N 3.06Å; I383-L387 HydrophobicContact CG2-CD1 3.82Å; I383-L387 HydrophobicContact CG2-CG 4.43Å; I383-L387 WeakPolarHBondContact O-CB 3.27Å; I383-L387 VanDerWaalsContact O-CG 3.31Å; I383-L387 WeakPolarHBondContact O-CG 2.99Å; I383-L387 PolarHBondContact O-N 3.34Å
384T84.3Confident78.4Confident68 Ų68104 Ų10442%0.41755%0.547SS..Hα-helixtrans-66.8-38.8177.852.80000111.8W380 L381 V382 V386 L387 T388W380-T384 WeakPolarHBondContact O-CB 3.29Å; W380-T384 WeakPolarHBondContact O-CG2 3.21Å; W380-T384 PolarHBondContact O-N 3.01Å; W380-T384 PolarHBondContact O-OG1 3.26Å; L381-T384 PolarHBondContact O-OG1 3.08Å; V382-T384 PolarHBondContact O-N 2.98Å; T384-V386 PolarHBondContact O-N 2.03Å; T384-L387 PolarHBondContact O-N 2.03Å; T384-T388 WeakPolarHBondContact O-CB 3.27Å; T384-T388 VanDerWaalsContact O-CG2 3.27Å; T384-T388 WeakPolarHBondContact O-CG2 3.28Å; T384-T388 PolarHBondContact O-N 2.77Å; T384-T388 PolarHBondContact O-OG1 3.1Å
385L89.9Confident80.2Confident115 Ų115102.7 Ų102.760%0.60254%0.541SS*.Hα-helixtrans-63.5-40.2175.3-160.290.4000112.1L381 V382 T388 C389L381-L385 VanDerWaalsContact O-CB 3.27Å; L381-L385 WeakPolarHBondContact O-CB 3.04Å; L381-L385 PolarHBondContact O-N 2.87Å; V382-L385 PolarHBondContact O-N 2.63Å; L385-T388 WeakPolarHBondContact CA-OG1 3.4Å; L385-T388 PolarHBondContact O-OG1 3.19Å; L385-C389 WeakPolarHBondContact O-CB 3.13Å; L385-C389 PolarHBondContact O-N 3.25Å; L385-C389 PolarHBondContact O-SG 2.04Å
386V92.4Very high82.1Confident78 Ų78104.2 Ų104.247%0.47354%0.541SS..Hα-helixtrans-66.8-45.6177.2170.80000110.7V382 I383 T384 C389 L390V382-V386 HydrophobicContact CG1-CG2 4.41Å; V382-V386 VanDerWaalsContact O-CG2 3.26Å; V382-V386 WeakPolarHBondContact O-CG2 3.28Å; V382-V386 PolarHBondContact O-N 3.16Å; I383-V386 PolarHBondContact O-N 3.06Å; T384-V386 PolarHBondContact O-N 2.03Å; V386-C389 PolarHBondContact O-N 2.83Å; V386-L390 HydrophobicContact CG1-CD1 4Å; V386-L390 HydrophobicContact CG1-CG 4.5Å; V386-L390 VanDerWaalsContact O-CG 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.28Å; V386-L390 PolarHBondContact O-N 3.3Å
387L90.9Very high83.4Confident95 Ų95103.6 Ų103.650%0.49754%0.541SS..Hα-helixtrans-65.6-38.8179.4-71.8170.9000112.4I383 T384 L390 L391I383-L387 HydrophobicContact CG2-CD1 3.82Å; I383-L387 HydrophobicContact CG2-CG 4.43Å; I383-L387 WeakPolarHBondContact O-CB 3.27Å; I383-L387 VanDerWaalsContact O-CG 3.31Å; I383-L387 WeakPolarHBondContact O-CG 2.99Å; I383-L387 PolarHBondContact O-N 3.34Å; T384-L387 PolarHBondContact O-N 2.03Å; L387-L390 PolarHBondContact O-N 3Å; L387-L391 WeakPolarHBondContact O-CB 3.47Å; L387-L391 WeakPolarHBondContact O-CG 3.13Å; L387-L391 PolarHBondContact O-N 3.04Å
388T91.9Very high84.5Confident69 Ų6996.4 Ų96.442%0.42352%0.522SS..Hα-helixtrans-68.6-39.9175.854.80000111.7T384 L385 L390 L391 L392T384-T388 WeakPolarHBondContact O-CB 3.27Å; T384-T388 VanDerWaalsContact O-CG2 3.27Å; T384-T388 WeakPolarHBondContact O-CG2 3.28Å; T384-T388 PolarHBondContact O-N 2.77Å; T384-T388 PolarHBondContact O-OG1 3.1Å; L385-T388 WeakPolarHBondContact CA-OG1 3.4Å; L385-T388 PolarHBondContact O-OG1 3.19Å; T388-L390 VanDerWaalsContact C-N 3.34Å; T388-L390 PolarHBondContact O-N 2.99Å; T388-L391 PolarHBondContact O-N 3.1Å; T388-L392 WeakPolarHBondContact O-CB 3.23Å; T388-L392 VanDerWaalsContact O-CG 3.29Å; T388-L392 WeakPolarHBondContact O-CG 2.98Å; T388-L392 PolarHBondContact O-N 2.99Å
389C92.4Very high85.1Confident74 Ų7490.9 Ų90.950%0.551%0.512SS..Hα-helixtrans-60.9-41.5172.2-76.40000112.2L385 V386 L392 A393L385-C389 WeakPolarHBondContact O-CB 3.13Å; L385-C389 PolarHBondContact O-N 3.25Å; L385-C389 PolarHBondContact O-SG 2.04Å; V386-C389 PolarHBondContact O-N 2.83Å; C389-L392 PolarHBondContact O-N 2.95Å; C389-A393 WeakPolarHBondContact O-CB 3.4Å; C389-A393 PolarHBondContact O-N 2.61Å
390L92.1Very high85.4Confident108 Ų10893.7 Ų93.757%0.56552%0.518SS*.Hα-helixtrans-66.1-40.8176.5-73.1170.6000112.1V386 L387 T388 A393 S394V386-L390 HydrophobicContact CG1-CD1 4Å; V386-L390 HydrophobicContact CG1-CG 4.5Å; V386-L390 VanDerWaalsContact O-CG 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.28Å; V386-L390 PolarHBondContact O-N 3.3Å; L387-L390 PolarHBondContact O-N 3Å; T388-L390 VanDerWaalsContact C-N 3.34Å; T388-L390 PolarHBondContact O-N 2.99Å; L390-A393 PolarHBondContact O-N 2.77Å; L390-S394 WeakPolarHBondContact O-CB 3.18Å; L390-S394 PolarHBondContact O-N 3.16Å
391L91.2Very high85.4Confident113 Ų11391.4 Ų91.459%0.59252%0.515SS*.Hα-helixtrans-65.4-41.7175.3-80.9163.4000112L387 T388 S394 L395L387-L391 WeakPolarHBondContact O-CB 3.47Å; L387-L391 WeakPolarHBondContact O-CG 3.13Å; L387-L391 PolarHBondContact O-N 3.04Å; T388-L391 PolarHBondContact O-N 3.1Å; L391-S394 PolarHBondContact O-N 2.92Å; L391-L395 WeakPolarHBondContact O-CB 3.33Å; L391-L395 PolarHBondContact O-N 2.81Å
392L92.5Very high85.2Confident103 Ų10391.1 Ų91.154%0.53952%0.518SS..Hα-helixtrans-65.4-41.9175.6-73.5168.9000111.4T388 C389 S394 L395 I396T388-L392 WeakPolarHBondContact O-CB 3.23Å; T388-L392 VanDerWaalsContact O-CG 3.29Å; T388-L392 WeakPolarHBondContact O-CG 2.98Å; T388-L392 PolarHBondContact O-N 2.99Å; C389-L392 PolarHBondContact O-N 2.95Å; L392-S394 VanDerWaalsContact C-N 3.34Å; L392-S394 PolarHBondContact O-N 3.33Å; L392-L395 PolarHBondContact O-N 2.92Å; L392-I396 WeakPolarHBondContact O-CD1 3.42Å; L392-I396 WeakPolarHBondContact O-CG1 3.49Å; L392-I396 PolarHBondContact O-N 2.91Å
393A89.9Confident84.4Confident49 Ų4991.3 Ų91.341%0.40552%0.522SS..Hα-helixtrans-61.9-42.7173.800000111.4C389 L390 L395 I396 V397C389-A393 WeakPolarHBondContact O-CB 3.4Å; C389-A393 PolarHBondContact O-N 2.61Å; L390-A393 PolarHBondContact O-N 2.77Å; A393-L395 PolarHBondContact O-N 3.16Å; A393-I396 PolarHBondContact O-N 3.14Å; A393-V397 VanDerWaalsContact O-CG2 3.28Å; A393-V397 WeakPolarHBondContact O-CG2 3.34Å; A393-V397 PolarHBondContact O-N 3.41Å
394S89.7Confident82.9Confident67 Ų6790.9 Ų90.947%0.46953%0.526SS..Hα-helixtrans-62.7-41.8175.1-1700000111.8L390 L391 L392 V397 S398L390-S394 WeakPolarHBondContact O-CB 3.18Å; L390-S394 PolarHBondContact O-N 3.16Å; L391-S394 PolarHBondContact O-N 2.92Å; L392-S394 VanDerWaalsContact C-N 3.34Å; L392-S394 PolarHBondContact O-N 3.33Å; S394-V397 PolarHBondContact O-N 3.5Å; S394-S398 WeakPolarHBondContact O-CB 3.04Å; S394-S398 PolarHBondContact O-N 3.09Å; S394-S398 PolarHBondContact O-OG 3.49Å
395L88.2Confident81.2Confident114 Ų11496.4 Ų96.460%0.59754%0.539SS*.Hα-helixtrans-64.3-40.4175.6-88.2156.5000112L391 L392 A393 S398 C399L391-L395 WeakPolarHBondContact O-CB 3.33Å; L391-L395 PolarHBondContact O-N 2.81Å; L392-L395 PolarHBondContact O-N 2.92Å; A393-L395 PolarHBondContact O-N 3.16Å; L395-S398 PolarHBondContact O-N 3.26Å; L395-C399 WeakPolarHBondContact O-CB 3.18Å; L395-C399 PolarHBondContact O-N 3.07Å
396I87.9Confident79Confident119 Ų11995.6 Ų95.661%0.6154%0.543SS*.Hα-helixtrans-64.7-43175-68.1163000110.3L392 A393 C399 H400L392-I396 WeakPolarHBondContact O-CD1 3.42Å; L392-I396 WeakPolarHBondContact O-CG1 3.49Å; L392-I396 PolarHBondContact O-N 2.91Å; A393-I396 PolarHBondContact O-N 3.14Å; I396-C399 PolarHBondContact O-N 3.33Å; I396-H400 VanDerWaalsContact O-CB 3.25Å; I396-H400 WeakPolarHBondContact O-CB 3.43Å; I396-H400 PolarHBondContact O-N 3.18Å
397V84.6Confident76.8Confident81 Ų8197.5 Ų97.549%0.49155%0.554SS.*Hα-helixtrans-64.7-43.1176.2171.20000111.1A393 S394 H400 Q401A393-V397 VanDerWaalsContact O-CG2 3.28Å; A393-V397 WeakPolarHBondContact O-CG2 3.34Å; A393-V397 PolarHBondContact O-N 3.41Å; S394-V397 PolarHBondContact O-N 3.5Å; V397-H400 PolarHBondContact O-N 3.29Å; V397-Q401 HydrophobicContact CG1-CG 4.47Å; V397-Q401 WeakPolarHBondContact O-CB 3.38Å; V397-Q401 VanDerWaalsContact O-CG 3.3Å; V397-Q401 WeakPolarHBondContact O-CG 3.13Å; V397-Q401 PolarHBondContact O-N 3.39Å
398S79.1Confident74.4Confident53 Ų5398.9 Ų98.937%0.37157%0.567SS.*Hα-helixtrans-65.2-40175.5-63.50000111.9S394 L395 Q401 V402S394-S398 WeakPolarHBondContact O-CB 3.04Å; S394-S398 PolarHBondContact O-N 3.09Å; S394-S398 PolarHBondContact O-OG 3.49Å; L395-S398 PolarHBondContact O-N 3.26Å; S398-Q401 PolarHBondContact O-N 2.98Å; S398-V402 VanDerWaalsContact O-CG2 3.27Å; S398-V402 WeakPolarHBondContact O-CG2 3.45Å; S398-V402 PolarHBondContact O-N 2.97Å
399C73.3Confident71.7Confident76 Ų7699.1 Ų99.151%0.51457%0.572SS.*Hα-helixtrans-67-41176.1-1590000110.9L395 I396 V402 C403L395-C399 WeakPolarHBondContact O-CB 3.18Å; L395-C399 PolarHBondContact O-N 3.07Å; I396-C399 PolarHBondContact O-N 3.33Å; C399-V402 PolarHBondContact O-N 2.02Å; C399-C403 VanDerWaalsContact O-CB 3.3Å; C399-C403 WeakPolarHBondContact O-CB 3.04Å; C399-C403 PolarHBondContact O-N 3.43Å; C399-C403 PolarHBondContact O-SG 3.32Å; C399-C403 VanDerWaalsContact O-SG 3.36Å
400H74.9Confident69.1Low121 Ų121107 Ų10756%0.5659%0.591SS**Hα-helixtrans-64.3-39.9172.5-171.7-80.1000111.9I396 V397 V402 C403 C404I396-H400 VanDerWaalsContact O-CB 3.25Å; I396-H400 WeakPolarHBondContact O-CB 3.43Å; I396-H400 PolarHBondContact O-N 3.18Å; V397-H400 PolarHBondContact O-N 3.29Å; H400-V402 VanDerWaalsContact C-N 3.31Å; H400-V402 PolarHBondContact O-N 3.24Å; H400-C403 PolarHBondContact O-N 2.86Å; H400-C404 VanDerWaalsContact CE1-SG 3.52Å; H400-C404 WeakPolarHBondContact O-CA 3.39Å; H400-C404 WeakPolarHBondContact O-CB 3.23Å; H400-C404 PolarHBondContact O-N 2.86Å
401Q67.4Low66.3Low118 Ų118109.9 Ų109.955%0.55160%0.599SS**Hα-helixtrans-65.6-31.8174.7-79.4178.1-15.400112.9V397 S398 R405V397-Q401 HydrophobicContact CG1-CG 4.47Å; V397-Q401 WeakPolarHBondContact O-CB 3.38Å; V397-Q401 VanDerWaalsContact O-CG 3.3Å; V397-Q401 WeakPolarHBondContact O-CG 3.13Å; V397-Q401 PolarHBondContact O-N 3.39Å; S398-Q401 PolarHBondContact O-N 2.98Å; Q401-R405 WeakPolarHBondContact O-CB 3.44Å; Q401-R405 WeakPolarHBondContact O-CG 3.16Å; Q401-R405 PolarHBondContact O-N 3.25Å
402V71.6Confident63.7Low115 Ų115110.8 Ų110.870%0.69761%0.612SS**Hα-helixtrans-79.6-41.6176.2172.40000111.2S398 C399 H400S398-V402 VanDerWaalsContact O-CG2 3.27Å; S398-V402 WeakPolarHBondContact O-CG2 3.45Å; S398-V402 PolarHBondContact O-N 2.97Å; C399-V402 PolarHBondContact O-N 2.02Å; H400-V402 VanDerWaalsContact C-N 3.31Å; H400-V402 PolarHBondContact O-N 3.24Å
403C64.6Low60.9Low100 Ų100112.5 Ų112.568%0.67662%0.617SS**Hα-helixtrans-75.9-29.3179.4-70.50000113.6C399 H400C399-C403 VanDerWaalsContact O-CB 3.3Å; C399-C403 WeakPolarHBondContact O-CB 3.04Å; C399-C403 PolarHBondContact O-N 3.43Å; C399-C403 PolarHBondContact O-SG 3.32Å; C399-C403 VanDerWaalsContact O-SG 3.36Å; H400-C403 PolarHBondContact O-N 2.86Å
404C53.1Low58.6Low73 Ų73118 Ų11849%0.49363%0.627SS.*THydrogen-bonded Turntrans-99.514.5177.9-63.70000113.7H400 S406H400-C404 VanDerWaalsContact CE1-SG 3.52Å; H400-C404 WeakPolarHBondContact O-CA 3.39Å; H400-C404 WeakPolarHBondContact O-CB 3.23Å; H400-C404 PolarHBondContact O-N 2.86Å; C404-S406 PolarHBondContact O-N 2.83Å
405R48.3Very low56.6Low183 Ų183120.4 Ų120.469%0.69163%0.629SS**  trans-77.662.5172.3-111.7177.9173.7179.9-1.8111.7Q401Q401-R405 WeakPolarHBondContact O-CB 3.44Å; Q401-R405 WeakPolarHBondContact O-CG 3.16Å; Q401-R405 PolarHBondContact O-N 3.25Å
406S43Very low55.3Low99 Ų99117.6 Ų117.669%0.69262%0.615SS**SBendtrans-100.4112.6144.2175.50000106.3C404C404-S406 PolarHBondContact O-N 2.83Å
407V46.8Very low54.2Low117 Ų117115.3 Ų115.371%0.70960%0.599SS**SBendtrans72.2115.4162.8-1720000117.3
408T40.4Very low53.5Low125 Ų125113.3 Ų113.377%0.76759%0.589SS**  trans69.293.6158.956.30000119.5
409S34.8Very low53.2Low74 Ų74114.5 Ų114.552%0.51759%0.585SS.*  trans-85.5106.5150.3530000109.7F411S409-F411 PolarHBondContact O-N 3.18Å
410R36.8Very low53.1Low240 Ų240112.4 Ų112.491%0.90657%0.57SS**  trans-72.3106.9160.5-77-178.6-173.91722.1108.5
411F33.8Very low52.8Low168 Ų168108.2 Ų108.274%0.73755%0.554SS**  trans-81.9147.6150-86.8-92.3000108S409 E413S409-F411 PolarHBondContact O-N 3.18Å; F411-E413 PolarHBondContact O-N 3.03Å
412P36.4Very low52.6Low131 Ų131102.8 Ų102.885%0.85153%0.528SS*.  trans-7480.6169.131.2-29.5000108R414P412-R414 PolarHBondContact O-N 3.03Å
413E35.2Very low51.9Low139 Ų139102.9 Ų102.965%0.6552%0.517SS*.  trans-81.4102.7172.2-157.7178-170.600107.1F411 K415F411-E413 PolarHBondContact O-N 3.03Å; E413-K415 VanDerWaalsContact C-N 3.33Å; E413-K415 HydrophobicContact CB-CG 4.28Å; E413-K415 HydrophobicContact CG-CG 3.91Å; E413-K415 PolarHBondContact O-N 3.39Å; E413-K415 WeakPolarHBondContact OE2-CE 3.39Å; E413-K415 IonicContact OE2-NZ 2.79Å; E413-K415 PolarHBondContact OE2-NZ 3.19Å
414R41.8Very low51.3Low164 Ų164103.7 Ų103.762%0.61951%0.514SS*.  trans-74.292.3169.9-162.3-177.9-160.9-165.4-0.4107.4D263 P412 D416D263-R414 IonicContact OD1-CZ 3.38Å; D263-R414 IonicContact OD1-NH1 3.98Å; D263-R414 PolarHBondContact OD1-NH1 2.82Å; D263-R414 IonicContact OD1-NH2 3.43Å; D263-R414 IonicContact OD2-CZ 2.99Å; D263-R414 IonicContact OD2-NH1 2.73Å; D263-R414 PolarHBondContact OD2-NH1 2.9Å; D263-R414 IonicContact OD2-NH2 3.59Å; D263-R414 PolarHBondContact OD2-NH2 3.13Å; P412-R414 PolarHBondContact O-N 3.03Å; R414-D416 PolarHBondContact O-N 3.25Å; R414-D416 VanDerWaalsContact O-N 3.16Å
415K47.3Very low51.4Low118 Ų118102.4 Ų102.451%0.51350%0.502SS..  trans-82.681.3-177.9-68.8-172.5178.7-173.80110.5E413 Y417E413-K415 VanDerWaalsContact C-N 3.33Å; E413-K415 HydrophobicContact CB-CG 4.28Å; E413-K415 HydrophobicContact CG-CG 3.91Å; E413-K415 PolarHBondContact O-N 3.39Å; E413-K415 WeakPolarHBondContact OE2-CE 3.39Å; E413-K415 IonicContact OE2-NZ 2.79Å; E413-K415 PolarHBondContact OE2-NZ 3.19Å; K415-Y417 PolarHBondContact O-N 2.8Å
416D61Low51Low55 Ų5598.4 Ų98.429%0.29449%0.494SS..SBendtrans-75.4-2.4169.9-60.4-37.1000112.1H18 M23 R414H18-D416 WeakPolarHBondContact CB-O 3.43Å; H18-D416 VanDerWaalsContact CD2-C 3.5Å; H18-D416 PolarHBondContact CD2-O 3.3Å; H18-D416 PolarHBondContact N-O 3.47Å; H18-D416 VanDerWaalsContact N-O 3.1Å; M23-D416 HydrophobicContact CE-CB 4.29Å; M23-D416 HydrophobicContact SD-CB 3.98Å; R414-D416 PolarHBondContact O-N 3.25Å; R414-D416 VanDerWaalsContact O-N 3.16Å
417Y63.4Low50.6Low72 Ų7297.2 Ų97.228%0.28250%0.498SS..EExtended strand (participates in β ladder)trans-147.3150.5167.856.2-88.7000109.3V16 M23 L53 Y54 K415V16-Y417 CarbonylContact O-C 3.53Å; V16-Y417 WeakPolarHBondContact O-CA 3.3Å; V16-Y417 WeakPolarHBondContact O-CB 3.35Å; M23-Y417 HydrophobicContact CE-CD1 3.92Å; L53-Y417 HydrophobicContact CD1-CD1 4.33Å; L53-Y417 HydrophobicContact CD1-CE1 3.61Å; Y54-Y417 HydrophobicContact CD2-CD2 4.41Å; Y54-Y417 AromaticContact CE2-CD2 3.48Å; Y54-Y417 HydrophobicContact CE2-CD2 3.48Å; Y54-Y417 VanDerWaalsContact CE2-CD2 3.48Å; Y54-Y417 AromaticContact CE2-CE2 3.33Å; Y54-Y417 HydrophobicContact CE2-CE2 3.33Å; Y54-Y417 HydrophobicContact CE2-CG 4.25Å; Y54-Y417 AromaticContact CE2-CZ 3.95Å; Y54-Y417 AromaticContact CZ-CE2 3.75Å; Y54-Y417 VanDerWaalsContact OH-CE2 3.29Å; Y54-Y417 WeakPolarHBondContact OH-CE2 3.12Å; K415-Y417 PolarHBondContact O-N 2.8Å
418S71.4Confident50Low39 Ų3995.9 Ų95.927%0.27350%0.499SS..EExtended strand (participates in β ladder)trans-120.1113.9171.6-1770000108.8V16V16-S418 WeakPolarHBondContact CB-O 3.37Å; V16-S418 PolarHBondContact N-O 3.46Å; V16-S418 PolarHBondContact O-N 3.03Å
419Y71.5Confident49.8Very low77 Ų7795.8 Ų95.830%0.30250%0.5SS..EExtended strand (participates in β ladder)trans-89.5128.1171.3166.9-110.8000109.2H13 Y54 Y213 P421H13-Y419 HydrophobicContact CB-CE2 4.14Å; H13-Y419 AromaticContact CD2-CE2 3.57Å; H13-Y419 AromaticContact CD2-CZ 3.67Å; H13-Y419 PolarHBondContact CD2-OH 2.82Å; Y54-Y419 HydrophobicContact CE1-CD2 4.29Å; Y54-Y419 HydrophobicContact CE1-CG 4.19Å; Y213-Y419 HydrophobicContact CE1-CE2 4.22Å; Y419-P421 HydrophobicContact CD1-CG 4.41Å; Y419-P421 HydrophobicContact CE1-CB 4.5Å; Y419-P421 HydrophobicContact CE1-CG 3.6Å
420V72Confident49.4Very low32 Ų3298.2 Ų98.219%0.19452%0.518CS..EExtended strand (participates in β ladder)trans-124.7105.6178.9-167.90000108.5M14 L422 D424 I425M14-V420 PolarHBondContact N-O 3.48Å; M14-V420 VanDerWaalsContact N-O 3.15Å; M14-V420 PolarHBondContact O-N 2.81Å; M14-V420 VanDerWaalsContact O-O 3.13Å; V420-L422 PolarHBondContact O-N 2.9Å; V420-D424 HydrophobicContact CG1-CB 4.38Å; V420-I425 HydrophobicContact CB-CD1 4.35Å; V420-I425 HydrophobicContact CB-CG1 4.5Å; V420-I425 HydrophobicContact CG1-CD1 3.7Å; V420-I425 HydrophobicContact CG1-CG1 3.39Å
421P68Low49.1Very low34 Ų3497.8 Ų97.822%0.22152%0.516CS..EExtended strand (participates in β ladder)trans-56.9133.3162-10.221.8000107Y419 R423 D424Y419-P421 HydrophobicContact CD1-CG 4.41Å; Y419-P421 HydrophobicContact CE1-CB 4.5Å; Y419-P421 HydrophobicContact CE1-CG 3.6Å; P421-R423 PolarHBondContact O-N 3.13Å; P421-D424 PolarHBondContact O-N 3.42Å
422L64.6Low48.8Very low3 Ų396.1 Ų96.12%0.01652%0.519CS..G310 helixtrans-58.2-16.2-173.2-59.5176.6000113.2T3 G12 M14 F174 I176 F193 V420 D424 I425T3-L422 WeakPolarHBondContact CG2-O 3.07Å; T3-L422 WeakPolarHBondContact OG1-CA 3.49Å; T3-L422 WeakPolarHBondContact OG1-CB 3.3Å; T3-L422 PolarHBondContact OG1-O 2.02Å; G12-L422 WeakPolarHBondContact O-CG 3.41Å; M14-L422 HydrophobicContact CB-CD2 3.65Å; F174-L422 HydrophobicContact CE2-CD1 4.04Å; F174-L422 HydrophobicContact CE2-CD2 4.41Å; I176-L422 HydrophobicContact CD1-CD1 3.58Å; F193-L422 HydrophobicContact CE1-CD2 3.87Å; F193-L422 HydrophobicContact CZ-CD2 3.77Å; V420-L422 PolarHBondContact O-N 2.9Å; L422-D424 VanDerWaalsContact C-N 3.28Å; L422-D424 PolarHBondContact O-N 3.41Å; L422-I425 HydrophobicContact CD2-CD1 4.01Å
423R56.3Low48.4Very low118 Ų11894.2 Ų94.245%0.44552%0.515SS..G310 helixtrans-54.8-38173.6-83.9-169164.7168.4-3.6114.1S2 T3 P421 I425S2-R423 WeakPolarHBondContact O-CG 3.05Å; S2-R423 PolarHBondContact OG-NH2 3.11Å; T3-R423 PolarHBondContact OG1-N 3.44Å; P421-R423 PolarHBondContact O-N 3.13Å; R423-I425 VanDerWaalsContact C-N 3.28Å; R423-I425 PolarHBondContact O-N 3.47Å
424D51.2Low48.1Very low117 Ų11796.1 Ų96.163%0.62652%0.524SS*.G310 helixtrans-86.8-4.3-164.9-59.5-27.4000112.6V420 P421 L422V420-D424 HydrophobicContact CG1-CB 4.38Å; P421-D424 PolarHBondContact O-N 3.42Å; L422-D424 VanDerWaalsContact C-N 3.28Å; L422-D424 PolarHBondContact O-N 3.41Å
425I55.5Low47.3Very low46 Ų4696.5 Ų96.524%0.23654%0.538CS..G310 helixtrans-83.1-24.3-175.6-64.8179.1000112.1M14 N197 V420 L422 R423M14-I425 HydrophobicContact SD-CD1 4.37Å; N197-I425 WeakPolarHBondContact OD1-CG2 3.06Å; V420-I425 HydrophobicContact CB-CD1 4.35Å; V420-I425 HydrophobicContact CB-CG1 4.5Å; V420-I425 HydrophobicContact CG1-CD1 3.7Å; V420-I425 HydrophobicContact CG1-CG1 3.39Å; L422-I425 HydrophobicContact CD2-CD1 4.01Å; R423-I425 VanDerWaalsContact C-N 3.28Å; R423-I425 PolarHBondContact O-N 3.47Å
426N40.7Very low46.4Very low98 Ų98102 Ų10252%0.52456%0.556SS.*G310 helixtrans-117.945.6-176.7-75.8-11.3000113.7Y4 A428Y4-N426 PolarHBondContact O-ND2 3.44Å; N426-A428 PolarHBondContact O-N 2.03Å
427G34.7Very low44.9Very low75 Ų75107.6 Ų107.677%0.77359%0.586SS**  trans-69.493.2162.800000111
428A33.7Very low43.1Very low89 Ų89107.5 Ų107.574%0.73661%0.607SS**  trans-60159.9-178.800000113.8N426N426-A428 PolarHBondContact O-N 2.03Å
429P36.9Very low41Very low122 Ų122110.8 Ų110.879%0.79263%0.63SS**  trans-76.5136.6-163.531.9-32.5000112.3R431P429-R431 PolarHBondContact O-N 3.03Å; P429-R431 VanDerWaalsContact O-N 3.11Å
430S26.1Very low38.9Very low126 Ų126115.8 Ų115.888%0.88166%0.661SS**  trans-74.999.5172.1-164.70000110.6
431R30.6Very low36.7Very low231 Ų231118 Ų11887%0.87269%0.69SS**  trans-109.5130.2141.7-67.8-174.8173.3-175.6-1.2103.7P429P429-R431 PolarHBondContact O-N 3.03Å; P429-R431 VanDerWaalsContact O-N 3.11Å
432T27.7Very low34.9Very low132 Ų132122.7 Ų122.781%0.8172%0.718SS**  cis-16715041.738.30000108.9
433A27.2Very low33.2Very low92 Ų92131.6 Ų131.676%0.7676%0.759SS**  trans-159.4110.5136.100000110.4
434E27.8Very low31.8Very low178 Ų178133 Ų13383%0.83278%0.776SS**  trans42.6114.9138.2-63.6-176.314300120.3
435N25.6Very low30.7Very low173 Ų173132.2 Ų132.293%0.92578%0.779SS**  trans-134.7111131.9-108.3-19.4000109.5
436R29.5Very low29.3Very low232 Ų232136.7 Ų136.788%0.87580%0.804SS**  trans-75.7123161.9-89179.4167.7176.8-2.7108.6
437N28.3Very low28.9Very low173 Ų173138 Ų13893%0.92582%0.821SS**  trans-172.2132.3134.4-114-7.5000111.4
438G26.6Very low28.7Very low70 Ų70142.5 Ų142.572%0.72282%0.821SS**  trans11492.5147.600000119.1
439S26.2Very low28.5Very low108 Ų108146.4 Ų146.476%0.75582%0.824SS**  trans67123.7137.177.10000123.7
440L27.2Very low28.1Very low183 Ų183149.5 Ų149.596%0.95883%0.829SS**  trans55.2123.6134.5-89.388.8000120.9
441G26.7Very low28.3Very low79 Ų79150.7 Ų150.781%0.81482%0.823SS**  trans16892.4157.300000111.6
442V29.6Very low28Very low132 Ų132151.7 Ų151.780%0.883%0.827SS**  trans-73.7139.6168.6171.50000108.6
443E29.2Very low28.2Very low189 Ų189149.8 Ų149.888%0.88382%0.82SS**  trans-179.9148.8131.1-99.1172.6178.100112.9
444D26.8Very low28.7Very low148 Ų148151.6 Ų151.679%0.79182%0.823SS**  trans-76.8164.2-164.2-71.7-55.6000116.4
445S28.6Very low28.9Very low100 Ų100148.7 Ų148.770%0.69982%0.823SS**  132.9117117.9-106.10000116.2
446D26.5Very low29.3Very low141 Ų141149.7 Ų149.775%0.75482%0.821SS**  trans38.7124.2133-64.3-37.9000120.9
447S31.6Very low29.5Very low125 Ų125144.4 Ų144.487%0.87482%0.82SS**  -179.5146.2101.137.80000112.8
448Q30.4Very low29.7Very low169 Ų169139.7 Ų139.779%0.7981%0.812SS**  trans-80.4155.7-167.6-69.6166.3-8.600114.3
449E30.1Very low30.1Very low171 Ų171148 Ų14880%0.79982%0.822SS**  trans40.8130.5133.7-60.2-176.8157.500121.2
450E28.5Very low30.5Very low188 Ų188152.4 Ų152.488%0.87985%0.852SS**  -174150.397.7-104.5-164.9165.600113.3
451I29.2Very low30.7Very low150 Ų150150.9 Ų150.977%0.76985%0.847SS**  trans-107.7137.1179.6-70163.2000108
452W25Very low30.9Very low252 Ų252154.6 Ų154.696%0.95585%0.849SS**  trans-158.2132.5140.8-141.4-50.7000113.1
453S30.6Very low30.9Very low93 Ų93155.9 Ų155.965%0.6585%0.851SS**  trans-87.2-174.8173.5-40.70000113
454P39.4Very low31Very low129 Ų129153.9 Ų153.984%0.83885%0.849SS**  trans-98.6172.9-150.241-40.3000115.7
455S31.2Very low31.3Very low117 Ų117154.3 Ų154.382%0.81885%0.853SS**  trans-126.9126.3165.257.30000112.8
456H33.3Very low31.5Very low194 Ų194157.9 Ų157.990%0.89886%0.863SS**  trans-58.6148.8159.4-87-64.9000112.5
457S35.2Very low31.8Very low122 Ų122159.1 Ų159.185%0.85387%0.871SS**  trans-150.1121.4148.661.80000110.2
458G30.9Very low31.8Very low73 Ų73161.8 Ų161.875%0.75387%0.871SS**  trans-113.2137.8162.600000109.9
459R36.1Very low32Very low246 Ų246161.2 Ų161.293%0.92888%0.878SS**  trans159.1118.9136-99.5-177.9169174.9-2.6110.1
460S34.1Very low32.1Very low199 Ų199160.3 Ų160.3100%1.39289%0.885SS**  -156.80118.2-72.60000108

Retrieved 460 of 460 residues in 421.1 ms (Link to these results)

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