A0A096N3G8_PAPAN Loading...

Cathepsin E

May have a role in immune function. Probably involved in the processing of antigenic peptides during MHC class II-mediated antigen presentation. May play a role in activation-induced lymphocyte depletion in the thymus, and in neuronal degeneration and glial cell activation in the brain.

AlphaFold DB , UniProt , Accession A0A096N3G8, Species PAPAN (Papio anubis, Olive baboon), Gene CTSE, Length 396 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
1M52.1Low48.4Very low205 Ų205126.9 Ų126.9100%1.0166%0.66SS**  0-44.90-80.1176.171.900113.5T3 L4 L5M1-T3 PolarHBondContact O-N 3.37Å; M1-L4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 3.23Å
2K49.2Very low47.7Very low187 Ų187126.7 Ų126.781%0.81366%0.659SS**Hα-helixtrans-66.4-33.6178.2-74.3-177173.1-177.30114.9L6K2-L6 PolarHBondContact O-N 3.24Å
3T52Low47.2Very low112 Ų112127.7 Ų127.769%0.68767%0.666SS**Hα-helixtrans-73-28.4176.9230000113.9M1 L7M1-T3 PolarHBondContact O-N 3.37Å; T3-L7 PolarHBondContact O-N 3.43Å
4L50.8Low46.7Very low126 Ų126129 Ų12966%0.6667%0.673SS**Hα-helixtrans-76.2-31.2176.3-15176.7000111.4M1 L8M1-L4 PolarHBondContact O-N 3.49Å; L4-L8 WeakPolarHBondContact O-CD1 3.36Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-L8 VanDerWaalsContact O-N 3.16Å
5L50.3Low46.2Very low120 Ų120124 Ų12463%0.62867%0.665SS**Hα-helixtrans-70.6-38.9174.4-135.983.1000111.8M1 L8 L9M1-L5 PolarHBondContact O-N 3.23Å; L5-L8 PolarHBondContact O-N 2.97Å; L5-L9 PolarHBondContact O-N 3.34Å
6L49Very low46.2Very low118 Ų118124.9 Ų124.962%0.61866%0.664SS**Hα-helixtrans-65.6-37.8174.4-112.389.4000112.2K2 L9 V10K2-L6 PolarHBondContact O-N 3.24Å; L6-L9 PolarHBondContact O-N 3.16Å; L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.32Å; L6-V10 PolarHBondContact O-N 3.07Å
7L47.9Very low45.8Very low110 Ų110123.4 Ų123.458%0.57667%0.673SS**Hα-helixtrans-67.2-35.8174.9-105.5100.1000112.3T3 V10 L11T3-L7 PolarHBondContact O-N 3.43Å; L7-V10 PolarHBondContact O-N 3.48Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CD1 3.5Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 2.94Å
8L47Very low46.1Very low107 Ų107126.5 Ų126.556%0.5668%0.682SS**Hα-helixtrans-67.6-36.1173.9-101.799.9000112.5L4 L5 L11 L12L4-L8 WeakPolarHBondContact O-CD1 3.36Å; L4-L8 PolarHBondContact O-N 3.06Å; L4-L8 VanDerWaalsContact O-N 3.16Å; L5-L8 PolarHBondContact O-N 2.97Å; L8-L11 PolarHBondContact O-N 3.49Å; L8-L12 WeakPolarHBondContact O-CD1 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 3.36Å
9L47.3Very low46.6Very low108 Ų108121.2 Ų121.257%0.56566%0.66SS**Hα-helixtrans-69.8-36.6175.3-88.7142.7000112.5L5 L6 L12L5-L9 PolarHBondContact O-N 3.34Å; L6-L9 PolarHBondContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.39Å
10V46.9Very low47.8Very low91 Ų91119.2 Ų119.255%0.55266%0.655SS**Hα-helixtrans-75.4-26.8175175.10000112.2L6 L7 L12L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.32Å; L6-V10 PolarHBondContact O-N 3.07Å; L7-V10 PolarHBondContact O-N 3.48Å; V10-L12 VanDerWaalsContact C-N 3.35Å
11L39.8Very low49.6Very low112 Ų112115.7 Ų115.759%0.58664%0.635SS**Hα-helixtrans-80.2-14.9172.4-75.9162.3000113.3L7 L8L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CD1 3.5Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.37Å; L7-L11 PolarHBondContact O-N 2.94Å; L8-L11 PolarHBondContact O-N 3.49Å
12L39.8Very low51.6Low124 Ų124107.7 Ų107.765%0.64960%0.595SS**Hα-helixtrans-77.9-20.9171.5-91.3151.3000112.6L8 L9 V10L8-L12 WeakPolarHBondContact O-CD1 3.29Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.39Å; V10-L12 VanDerWaalsContact C-N 3.35Å
13D41.6Very low53.7Low140 Ų140103 Ų10375%0.74957%0.573SS**THydrogen-bonded Turntrans-86.3-5.6174.3-82.1-16.2000113.8
14L40.6Very low55.8Low146 Ų14697.8 Ų97.876%0.76454%0.54SS*.THydrogen-bonded Turntrans-109.27.3179.1-78.2163000113.3
15G38.2Very low57.8Low54 Ų5495 Ų9556%0.55753%0.53SS*.  trans-12251.4175.300000110.6A17G15-A17 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 2.99Å
16E46.7Very low59.7Low139 Ų13990 Ų9065%0.6550%0.504SS*.  trans-58.6110.5154.8-76.6-169.5164.100105.7Q18E16-Q18 PolarHBondContact O-N 2.86Å
17A39.2Very low61.5Low98 Ų9892.2 Ų92.281%0.8150%0.504SS*.  trans-52.7107.4169.700000106.1G15 G19G15-A17 VanDerWaalsContact C-N 3.34Å; G15-A17 PolarHBondContact O-N 2.99Å; A17-G19 PolarHBondContact O-N 2.72Å
18Q50.8Low63.2Low180 Ų18090.2 Ų90.284%0.84149%0.489SS*.  trans-63.986.8165.8-93.1165.7-37.200105.9E16E16-Q18 PolarHBondContact O-N 2.86Å
19G56.9Low64.6Low25 Ų2588.7 Ų88.726%0.25848%0.479SS..  trans-51160.8162.600000109.9A17 L21 D211A17-G19 PolarHBondContact O-N 2.72Å; G19-L21 PolarHBondContact O-N 3.36Å; G19-D211 WeakPolarHBondContact CA-OD2 3.06Å
20S70.3Confident66.1Low82 Ų8286.6 Ų86.657%0.57347%0.471SS*.  trans-67.4103.7179.5177.70000108.3H22 D211S20-H22 PolarHBondContact O-CD2 3.27Å; S20-H22 PolarHBondContact O-N 2.91Å; S20-H22 PolarHBondContact O-NE2 2.92Å; S20-D211 PolarHBondContact N-OD2 3.24Å; S20-D211 VanDerWaalsContact N-OD2 3.09Å
21L85.8Confident67.7Low45 Ų4582.5 Ų82.524%0.23645%0.447CS..  trans-66.1119.8174.9-63.2-179.3000109.4G19 R23 I232 D237G19-L21 PolarHBondContact O-N 3.36Å; L21-R23 HydrophobicContact CB-CG 4.4Å; L21-R23 PolarHBondContact O-N 3.09Å; L21-I232 HydrophobicContact CB-CG2 3.83Å; L21-I232 HydrophobicContact CD1-CD1 4.4Å; L21-I232 HydrophobicContact CD2-CG2 3.98Å; L21-I232 HydrophobicContact CG-CG2 4.35Å; L21-D237 HydrophobicContact CD1-CB 4.39Å
22H93.3Very high69.6Low37 Ų3778 Ų7817%0.17142%0.423CS..EExtended strand (participates in β ladder)trans-89.395.2178.8-62.6-77.7000109.7S20 L158 I232 F233S20-H22 PolarHBondContact O-CD2 3.27Å; S20-H22 PolarHBondContact O-N 2.91Å; S20-H22 PolarHBondContact O-NE2 2.92Å; H22-L158 HydrophobicContact CB-CD1 3.75Å; H22-L158 HydrophobicContact CB-CG 4.1Å; H22-L158 WeakPolarHBondContact CE1-CD2 3.42Å; H22-L158 WeakPolarHBondContact ND1-CD2 3.45Å; H22-I232 WeakPolarHBondContact O-CA 3Å; H22-F233 HydrophobicContact CB-CB 4.22Å; H22-F233 PolarHBondContact N-O 3.39Å; H22-F233 PolarHBondContact O-N 3.41Å
23R94.4Very high71.7Confident90 Ų9072.4 Ų72.434%0.3439%0.394SS..EExtended strand (participates in β ladder)trans-94.1114-170.9-61.6178.4-179.1-98.12.9112.2L21 P25 E156 E230 I232 D237L21-R23 HydrophobicContact CB-CG 4.4Å; L21-R23 PolarHBondContact O-N 3.09Å; R23-P25 WeakPolarHBondContact O-CD 3.22Å; R23-E156 WeakPolarHBondContact O-CG 3.36Å; R23-E230 WeakPolarHBondContact CD-OE2 3.36Å; R23-E230 IonicContact CZ-OE2 3.67Å; R23-E230 IonicContact NH1-OE1 3.97Å; R23-E230 PolarHBondContact NH1-OE1 3.22Å; R23-E230 IonicContact NH1-OE2 3.29Å; R23-E230 PolarHBondContact NH1-OE2 3.12Å; R23-I232 HydrophobicContact CG-CD1 4.49Å; R23-I232 HydrophobicContact CG-CG1 4.24Å; R23-D237 IonicContact CZ-OD2 2.79Å; R23-D237 VanDerWaalsContact CZ-OD2 3.29Å; R23-D237 IonicContact NH1-OD2 2.54Å; R23-D237 PolarHBondContact NH1-OD2 2.79Å; R23-D237 IonicContact NH2-OD2 2.69Å; R23-D237 PolarHBondContact NH2-OD2 2.93Å
24V94.6Very high73.7Confident1 Ų168.4 Ų68.41%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-91.1108.7172.2-1700000109.8L26 F95 V155 E156 E230 L231 F233V24-L26 PolarHBondContact O-N 3.28Å; V24-F95 HydrophobicContact CG1-CE2 3.93Å; V24-F95 HydrophobicContact CG1-CZ 3.87Å; V24-V155 HydrophobicContact CG1-CG1 4.3Å; V24-V155 HydrophobicContact CG2-CG1 3.47Å; V24-V155 VanDerWaalsContact CG2-CG1 3.47Å; V24-E156 HydrophobicContact CB-CG 4.15Å; V24-E156 HydrophobicContact CG1-CG 4.31Å; V24-E156 HydrophobicContact CG2-CB 4.28Å; V24-E156 HydrophobicContact CG2-CG 3.85Å; V24-E230 CarbonylContact O-C 3.55Å; V24-E230 VanDerWaalsContact O-CA 3.27Å; V24-E230 WeakPolarHBondContact O-CA 3.36Å; V24-L231 WeakPolarHBondContact CA-O 3.18Å; V24-L231 HydrophobicContact CB-CB 4.26Å; V24-L231 HydrophobicContact CB-CD2 4.25Å; V24-L231 WeakPolarHBondContact CB-O 3.5Å; V24-L231 HydrophobicContact CG2-CD2 3.94Å; V24-L231 PolarHBondContact N-O 2.92Å; V24-L231 PolarHBondContact O-N 3.26Å; V24-F233 HydrophobicContact CG2-CD2 4Å; V24-F233 HydrophobicContact CG2-CE2 3.9Å
25P92.9Very high75.7Confident68 Ų6864 Ų6444%0.44234%0.344SS..EExtended strand (participates in β ladder)trans-67.6123.9174.828.2-32000109.5R23 E156R23-P25 WeakPolarHBondContact O-CD 3.22Å; P25-E156 VanDerWaalsContact CD-OE1 3.29Å; P25-E156 WeakPolarHBondContact CD-OE1 3.44Å
26L91.3Very high77.7Confident14 Ų1462.3 Ų62.37%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-95118.7173.2-59.5178.9000108.8V24 Y78 F79 F95 V217 S229 L231V24-L26 PolarHBondContact O-N 3.28Å; L26-Y78 HydrophobicContact CB-CD1 4.45Å; L26-F79 CarbonylContact C-O 3.58Å; L26-F79 WeakPolarHBondContact CA-O 3.42Å; L26-F95 HydrophobicContact CD2-CD2 3.89Å; L26-F95 HydrophobicContact CD2-CE2 4.42Å; L26-V217 HydrophobicContact CD1-CG1 4.38Å; L26-S229 PolarHBondContact N-O 2.99Å; L26-L231 HydrophobicContact CD1-CB 4.22Å; L26-L231 HydrophobicContact CD2-CB 4.45Å; L26-L231 HydrophobicContact CG-CB 4.4Å
27R86.3Confident79.5Confident165 Ų16556.3 Ų56.362%0.62329%0.294SS*.EExtended strand (participates in β ladder)trans-87.8130.2177.7-64.5-174.7-178.8-173.51.9109.4Y78 F79R27-Y78 WeakPolarHBondContact O-CA 3.49Å; R27-F79 PolarHBondContact N-O 3.44Å; R27-F79 PolarHBondContact O-N 2.85Å
28R83.1Confident81.6Confident69 Ų6954.5 Ų54.526%0.2628%0.278SS..EExtended strand (participates in β ladder)trans-89.8117.3173.9-161.4173.8172.5-166.3-4.5110.2E77 Y78 P223R28-E77 CarbonylContact C-O 3.57Å; R28-E77 WeakPolarHBondContact CA-O 3.29Å; R28-E77 HydrophobicContact CG-CB 3.82Å; R28-E77 IonicContact CZ-OE2 3.57Å; R28-E77 IonicContact NE-OE2 3.53Å; R28-E77 PolarHBondContact NE-OE2 2.88Å; R28-E77 IonicContact NH2-OE1 2.68Å; R28-E77 IonicContact NH2-OE2 3.47Å; R28-E77 PolarHBondContact NH2-OE2 2.84Å; R28-Y78 HydrophobicContact CB-CD1 4.24Å; R28-Y78 HydrophobicContact CB-CE1 4.01Å; R28-Y78 HydrophobicContact CG-CD1 4.32Å; R28-Y78 HydrophobicContact CG-CE1 3.89Å; R28-P223 HydrophobicContact CB-CB 4.43Å
29H77.6Confident83.1Confident75 Ų7553.7 Ų53.735%0.34727%0.268SS..  trans-110149.7170.1-67.9-68.1000110.2S31 E77 F79 E180H29-S31 PolarHBondContact O-N 2.91Å; H29-E77 PolarHBondContact N-O 2.79Å; H29-E77 WeakPolarHBondContact O-CA 3.14Å; H29-E77 WeakPolarHBondContact O-CB 3.03Å; H29-E77 WeakPolarHBondContact O-CG 3.37Å; H29-F79 HydrophobicContact CB-CD2 4.26Å; H29-F79 HydrophobicContact CB-CE2 3.97Å; H29-F79 AromaticContact CD2-CD2 3.69Å; H29-E180 WeakPolarHBondContact CB-OE2 3.21Å
30P77.8Confident84.3Confident63 Ų6355.4 Ų55.441%0.40928%0.276SS..  trans-55.7127.7170.9-22.532.9000109.4K34 K35P30-K34 HydrophobicContact CB-CD 4.16Å; P30-K35 HydrophobicContact CB-CG 4.23Å; P30-K35 WeakPolarHBondContact O-CE 3.28Å
31S82.1Confident84.8Confident5 Ų555.4 Ų55.44%0.03527%0.267CS..  trans-58.8156.1179.574.30000112H29 K33 K34 K35 L74 M76H29-S31 PolarHBondContact O-N 2.91Å; S31-K33 PolarHBondContact O-N 3.27Å; S31-K34 WeakPolarHBondContact O-CB 3.34Å; S31-K34 PolarHBondContact O-N 2.9Å; S31-K34 WeakPolarHBondContact OG-CB 3.41Å; S31-K34 PolarHBondContact OG-N 3.46Å; S31-K34 VanDerWaalsContact OG-N 3.15Å; S31-K35 PolarHBondContact O-N 3.34Å; S31-L74 WeakPolarHBondContact CB-O 3.24Å; S31-L74 PolarHBondContact OG-O 3.28Å; S31-M76 WeakPolarHBondContact CA-O 3.41Å; S31-M76 WeakPolarHBondContact CB-O 3.17Å
32L79.7Confident84.6Confident19 Ų1953.4 Ų53.410%0.09926%0.256CS..Hα-helixtrans-56.1-40.7176.4173.457.6000111K34 K35 L36 Y73 L74 D178L32-K34 PolarHBondContact O-N 3.39Å; L32-K35 PolarHBondContact O-N 2.99Å; L32-L36 HydrophobicContact CD1-CD1 3.85Å; L32-L36 HydrophobicContact CD1-CD2 4.44Å; L32-L36 HydrophobicContact CD1-CG 3.83Å; L32-L36 HydrophobicContact CG-CD1 3.83Å; L32-L36 HydrophobicContact CG-CG 4.28Å; L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.07Å; L32-Y73 HydrophobicContact CD2-CE2 4.15Å; L32-L74 HydrophobicContact CB-CD2 4.36Å; L32-L74 HydrophobicContact CD2-CD2 3.55Å; L32-L74 HydrophobicContact CG-CD2 3.97Å; L32-L74 PolarHBondContact N-O 2.95Å; L32-D178 HydrophobicContact CD1-CB 3.72Å; L32-D178 HydrophobicContact CD2-CB 3.25Å; L32-D178 HydrophobicContact CG-CB 4.13Å
33K82.6Confident83.9Confident6 Ų653.4 Ų53.43%0.02626%0.26CS..Hα-helixtrans-56.3-47.8173.8178.3162.4136.8-178.70112.3S31 K35 L36 R37 L42 L74 D75 E309S31-K33 PolarHBondContact O-N 3.27Å; K33-K35 VanDerWaalsContact C-N 3.32Å; K33-K35 PolarHBondContact O-N 3.26Å; K33-L36 PolarHBondContact O-N 3.41Å; K33-R37 WeakPolarHBondContact O-CB 3.41Å; K33-R37 PolarHBondContact O-N 3.07Å; K33-L42 HydrophobicContact CG-CD1 4.23Å; K33-L42 HydrophobicContact CG-CD2 3.73Å; K33-L74 HydrophobicContact CB-CB 4.16Å; K33-L74 WeakPolarHBondContact CB-O 3.45Å; K33-L74 PolarHBondContact N-O 2.79Å; K33-D75 WeakPolarHBondContact CD-OD1 3.37Å; K33-D75 WeakPolarHBondContact CE-OD1 3.42Å; K33-D75 IonicContact NZ-OD1 2.67Å; K33-D75 PolarHBondContact NZ-OD1 2.93Å; K33-D75 IonicContact NZ-OD2 3.75Å; K33-D75 PolarHBondContact NZ-OD2 3.34Å; K33-E309 WeakPolarHBondContact CD-OE1 3.41Å; K33-E309 WeakPolarHBondContact CE-OE1 3.41Å; K33-E309 WeakPolarHBondContact CE-OE2 3.28Å; K33-E309 IonicContact NZ-OE1 2.71Å; K33-E309 PolarHBondContact NZ-OE1 2.81Å; K33-E309 IonicContact NZ-OE2 3.27Å; K33-E309 PolarHBondContact NZ-OE2 3.5Å
34K83.5Confident83.2Confident55 Ų5555.3 Ų55.324%0.23927%0.273CS..Hα-helixtrans-61.5-40.4177.1-171.2170.7-166.5121.20111.8P30 S31 L32 A38 L342 D343P30-K34 HydrophobicContact CB-CD 4.16Å; S31-K34 WeakPolarHBondContact O-CB 3.34Å; S31-K34 PolarHBondContact O-N 2.9Å; S31-K34 WeakPolarHBondContact OG-CB 3.41Å; S31-K34 PolarHBondContact OG-N 3.46Å; S31-K34 VanDerWaalsContact OG-N 3.15Å; L32-K34 PolarHBondContact O-N 3.39Å; K34-A38 WeakPolarHBondContact O-CB 3.37Å; K34-A38 PolarHBondContact O-N 3.09Å; K34-L342 PolarHBondContact NZ-O 3.11Å; K34-D343 VanDerWaalsContact CD-OD1 3.28Å; K34-D343 WeakPolarHBondContact CD-OD1 3.2Å; K34-D343 VanDerWaalsContact CE-OD1 3.22Å; K34-D343 WeakPolarHBondContact CE-OD1 3.42Å; K34-D343 WeakPolarHBondContact CG-OD1 3.05Å; K34-D343 IonicContact NZ-OD1 3.24Å; K34-D343 PolarHBondContact NZ-OD1 2.92Å
35K82.2Confident82.4Confident55 Ų5556 Ų5624%0.23928%0.277CS..Hα-helixtrans-66.6-45.4177.1-67.2-176-173.4-173.50112.5P30 S31 L32 K33 A38 R39 E180P30-K35 HydrophobicContact CB-CG 4.23Å; P30-K35 WeakPolarHBondContact O-CE 3.28Å; S31-K35 PolarHBondContact O-N 3.34Å; L32-K35 PolarHBondContact O-N 2.99Å; K33-K35 VanDerWaalsContact C-N 3.32Å; K33-K35 PolarHBondContact O-N 3.26Å; K35-A38 PolarHBondContact O-N 2.92Å; K35-R39 WeakPolarHBondContact O-CG 3.17Å; K35-R39 PolarHBondContact O-N 2.92Å; K35-E180 IonicContact NZ-OE1 3.39Å; K35-E180 PolarHBondContact NZ-OE1 2.89Å; K35-E180 IonicContact NZ-OE2 2.73Å; K35-E180 PolarHBondContact NZ-OE2 3.46Å
36L81.6Confident81.6Confident17 Ų1753.4 Ų53.49%0.08926%0.258CS..Hα-helixtrans-66.5-39.3178.1-71172.7000111.6L32 K33 R39 S40 Q41 L42 L45L32-L36 HydrophobicContact CD1-CD1 3.85Å; L32-L36 HydrophobicContact CD1-CD2 4.44Å; L32-L36 HydrophobicContact CD1-CG 3.83Å; L32-L36 HydrophobicContact CG-CD1 3.83Å; L32-L36 HydrophobicContact CG-CG 4.28Å; L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 3.07Å; K33-L36 PolarHBondContact O-N 3.41Å; L36-R39 CarbonylContact O-C 3.51Å; L36-R39 PolarHBondContact O-N 2.89Å; L36-S40 PolarHBondContact O-N 2.78Å; L36-S40 VanDerWaalsContact O-N 3.09Å; L36-Q41 HydrophobicContact CD2-CB 4.03Å; L36-Q41 PolarHBondContact O-N 3.4Å; L36-L42 HydrophobicContact CB-CB 3.98Å; L36-L42 HydrophobicContact CB-CD1 3.78Å; L36-L42 HydrophobicContact CB-CG 4.42Å; L36-L42 HydrophobicContact CD1-CD1 3.88Å; L36-L42 PolarHBondContact O-N 3.29Å; L36-L45 HydrophobicContact CD1-CB 4.45Å; L36-L45 HydrophobicContact CD1-CD2 3.53Å; L36-L45 HydrophobicContact CD1-CG 4.47Å
37R84.6Confident80.8Confident14 Ų1460.7 Ų60.75%0.05329%0.289CS..Hα-helixtrans-61.7-46.7174.1175.7169.3-68.2133.14.6111.8K33 R39 S40 L42 E309 D343 V345K33-R37 WeakPolarHBondContact O-CB 3.41Å; K33-R37 PolarHBondContact O-N 3.07Å; R37-R39 PolarHBondContact O-N 2.67Å; R37-R39 VanDerWaalsContact O-N 3.16Å; R37-S40 PolarHBondContact O-N 2.99Å; R37-L42 HydrophobicContact CB-CD2 3.97Å; R37-L42 VanDerWaalsContact NH2-CD2 3.33Å; R37-E309 IonicContact CZ-OE2 3.8Å; R37-E309 IonicContact NH1-OE2 3.15Å; R37-E309 VanDerWaalsContact NH2-CD 3.25Å; R37-E309 IonicContact NH2-OE1 3.43Å; R37-E309 PolarHBondContact NH2-OE1 2.99Å; R37-E309 IonicContact NH2-OE2 2.64Å; R37-E309 PolarHBondContact NH2-OE2 3.08Å; R37-D343 IonicContact CZ-OD2 3.62Å; R37-D343 IonicContact NH1-OD2 3.82Å; R37-D343 PolarHBondContact NH1-OD2 3.19Å; R37-V345 HydrophobicContact CG-CG2 3.49Å; R37-V345 VanDerWaalsContact CG-CG2 3.49Å
38A81.9Confident80Confident59 Ų5956.7 Ų56.749%0.48829%0.286SS..Hα-helixtrans-63.3-19.7176.900000113.6K34 K35K34-A38 WeakPolarHBondContact O-CB 3.37Å; K34-A38 PolarHBondContact O-N 3.09Å; K35-A38 PolarHBondContact O-N 2.92Å
39R82.9Confident79.2Confident164 Ų16457.1 Ų57.162%0.61929%0.292SS*.THydrogen-bonded Turntrans-101.12176-64174.3-172.1172.83.9113.3K35 L36 R37 Q41K35-R39 WeakPolarHBondContact O-CG 3.17Å; K35-R39 PolarHBondContact O-N 2.92Å; L36-R39 CarbonylContact O-C 3.51Å; L36-R39 PolarHBondContact O-N 2.89Å; R37-R39 PolarHBondContact O-N 2.67Å; R37-R39 VanDerWaalsContact O-N 3.16Å; R39-Q41 HydrophobicContact CB-CG 3.92Å; R39-Q41 WeakPolarHBondContact O-CG 3.43Å; R39-Q41 PolarHBondContact O-N 2.84Å
40S81.4Confident78.6Confident60 Ų6060.8 Ų60.842%0.4231%0.314SS..THydrogen-bonded Turntrans57.429.7-174.8-56.20000113.9L36 R37L36-S40 PolarHBondContact O-N 2.78Å; L36-S40 VanDerWaalsContact O-N 3.09Å; R37-S40 PolarHBondContact O-N 2.99Å
41Q82.4Confident78.1Confident82 Ų8259.5 Ų59.538%0.38330%0.303SS..  trans-103.2-9.4-179.3-62.9-175.4-74.700113.1L36 R39 S43 E44 L45L36-Q41 HydrophobicContact CD2-CB 4.03Å; L36-Q41 PolarHBondContact O-N 3.4Å; R39-Q41 HydrophobicContact CB-CG 3.92Å; R39-Q41 WeakPolarHBondContact O-CG 3.43Å; R39-Q41 PolarHBondContact O-N 2.84Å; Q41-S43 PolarHBondContact O-N 2.91Å; Q41-E44 PolarHBondContact O-N 2.82Å; Q41-L45 PolarHBondContact O-N 2.79Å; Q41-L45 VanDerWaalsContact O-N 3.14Å
42L80.2Confident77.3Confident3 Ų362.5 Ų62.52%0.01632%0.319CS..Hα-helixtrans-65.2-40-174.8-165.663.9000111.6K33 L36 R37 E44 L45 W46K33-L42 HydrophobicContact CG-CD1 4.23Å; K33-L42 HydrophobicContact CG-CD2 3.73Å; L36-L42 HydrophobicContact CB-CB 3.98Å; L36-L42 HydrophobicContact CB-CD1 3.78Å; L36-L42 HydrophobicContact CB-CG 4.42Å; L36-L42 HydrophobicContact CD1-CD1 3.88Å; L36-L42 PolarHBondContact O-N 3.29Å; R37-L42 HydrophobicContact CB-CD2 3.97Å; R37-L42 VanDerWaalsContact NH2-CD2 3.33Å; L42-E44 PolarHBondContact O-N 3.35Å; L42-L45 HydrophobicContact CD1-CD2 4.35Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 3.26Å; L42-W46 HydrophobicContact CB-CE3 4.48Å; L42-W46 HydrophobicContact CB-CH2 3.8Å; L42-W46 HydrophobicContact CB-CZ2 4.36Å; L42-W46 HydrophobicContact CB-CZ3 3.79Å; L42-W46 HydrophobicContact CD1-CH2 4.38Å; L42-W46 HydrophobicContact CD1-CZ2 4.08Å; L42-W46 HydrophobicContact CD2-CH2 3.1Å; L42-W46 HydrophobicContact CD2-CZ2 3.2Å; L42-W46 HydrophobicContact CD2-CZ3 3.97Å; L42-W46 HydrophobicContact CG-CD2 4.15Å; L42-W46 HydrophobicContact CG-CE3 4.09Å; L42-W46 HydrophobicContact CG-CH2 3.14Å; L42-W46 HydrophobicContact CG-CZ2 3.25Å; L42-W46 HydrophobicContact CG-CZ3 3.52Å; L42-W46 WeakPolarHBondContact O-CZ3 3.33Å; L42-W46 PolarHBondContact O-N 2.91Å; L42-W46 VanDerWaalsContact O-N 3.12Å
43S79.9Confident76.6Confident37 Ų3762.1 Ų62.126%0.25932%0.317SS..Hα-helixtrans-54.5-36.5174.2-44.50000113.4Q41 W46 K47 D307Q41-S43 PolarHBondContact O-N 2.91Å; S43-W46 VanDerWaalsContact CA-CZ3 3.47Å; S43-K47 WeakPolarHBondContact O-CG 3.48Å; S43-D307 PolarHBondContact OG-OD1 3.11Å; S43-D307 PolarHBondContact OG-OD2 2.94Å
44E79.6Confident75.8Confident131 Ų13163.4 Ų63.461%0.61232%0.323SS*.Hα-helixtrans-76.2-38.3178.1-62.6-176.4163.600111.4Q41 L42 K47 S48Q41-E44 PolarHBondContact O-N 2.82Å; L42-E44 PolarHBondContact O-N 3.35Å; E44-K47 PolarHBondContact O-N 3.49Å; E44-S48 VanDerWaalsContact O-CB 3.3Å; E44-S48 WeakPolarHBondContact O-CB 3.44Å; E44-S48 PolarHBondContact O-N 3.2Å; E44-S48 PolarHBondContact O-OG 3.45Å
45L77.3Confident74.5Confident15 Ų1567.1 Ų67.18%0.07934%0.342CS..Hα-helixtrans-58.5-54.1176.3-176.172.5000110.9L36 Q41 L42 K47 S48 Q49 L74L36-L45 HydrophobicContact CD1-CB 4.45Å; L36-L45 HydrophobicContact CD1-CD2 3.53Å; L36-L45 HydrophobicContact CD1-CG 4.47Å; Q41-L45 PolarHBondContact O-N 2.79Å; Q41-L45 VanDerWaalsContact O-N 3.14Å; L42-L45 HydrophobicContact CD1-CD2 4.35Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 3.26Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.5Å; L45-S48 PolarHBondContact O-N 2.92Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-OG 3.34Å; L45-Q49 HydrophobicContact CD1-CG 3.86Å; L45-Q49 HydrophobicContact CG-CG 4.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.33Å; L45-Q49 PolarHBondContact O-N 3.49Å; L45-L74 HydrophobicContact CD2-CD1 4.27Å; L45-L74 HydrophobicContact CD2-CD2 4.08Å
46W75.6Confident73.3Confident13 Ų1365.8 Ų65.85%0.04934%0.336CS..Hα-helixtrans-56.7-43.5-178.6-64.1-66.4000111.9L42 S43 N50 L51 D307 E309L42-W46 HydrophobicContact CB-CE3 4.48Å; L42-W46 HydrophobicContact CB-CH2 3.8Å; L42-W46 HydrophobicContact CB-CZ2 4.36Å; L42-W46 HydrophobicContact CB-CZ3 3.79Å; L42-W46 HydrophobicContact CD1-CH2 4.38Å; L42-W46 HydrophobicContact CD1-CZ2 4.08Å; L42-W46 HydrophobicContact CD2-CH2 3.1Å; L42-W46 HydrophobicContact CD2-CZ2 3.2Å; L42-W46 HydrophobicContact CD2-CZ3 3.97Å; L42-W46 HydrophobicContact CG-CD2 4.15Å; L42-W46 HydrophobicContact CG-CE3 4.09Å; L42-W46 HydrophobicContact CG-CH2 3.14Å; L42-W46 HydrophobicContact CG-CZ2 3.25Å; L42-W46 HydrophobicContact CG-CZ3 3.52Å; L42-W46 WeakPolarHBondContact O-CZ3 3.33Å; L42-W46 PolarHBondContact O-N 2.91Å; L42-W46 VanDerWaalsContact O-N 3.12Å; S43-W46 VanDerWaalsContact CA-CZ3 3.47Å; W46-N50 WeakPolarHBondContact O-CA 3.42Å; W46-N50 PolarHBondContact O-N 2.56Å; W46-L51 PolarHBondContact O-N 3.47Å; W46-D307 HydrophobicContact CH2-CB 4.09Å; W46-D307 WeakPolarHBondContact CH2-O 3.45Å; W46-D307 WeakPolarHBondContact CZ2-O 3.42Å; W46-D307 HydrophobicContact CZ3-CB 3.94Å; W46-D307 VanDerWaalsContact CZ3-O 3.27Å; W46-D307 WeakPolarHBondContact CZ3-O 3.47Å; W46-D307 WeakPolarHBondContact CZ3-OD1 3.37Å; W46-D307 WeakPolarHBondContact CZ3-OD2 3.15Å; W46-E309 HydrophobicContact CZ2-CG 3.93Å; W46-E309 WeakPolarHBondContact CZ2-OE1 3.43Å
47K75Confident71.9Confident167 Ų16769.3 Ų69.373%0.72636%0.358SS*.Hα-helixtrans-64.3-44.4176.9-71173-174.2168.20112.4S43 E44 L45 Q49 N50S43-K47 WeakPolarHBondContact O-CG 3.48Å; E44-K47 PolarHBondContact O-N 3.49Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.5Å; K47-Q49 VanDerWaalsContact C-N 3.32Å; K47-Q49 PolarHBondContact O-N 3.24Å; K47-N50 PolarHBondContact O-N 3.46Å
48S69.4Low70.4Confident81 Ų8169.2 Ų69.257%0.56636%0.358SS*.Hα-helixtrans-67.5-33.6-177.171.90000112.9E44 L45E44-S48 VanDerWaalsContact O-CB 3.3Å; E44-S48 WeakPolarHBondContact O-CB 3.44Å; E44-S48 PolarHBondContact O-N 3.2Å; E44-S48 PolarHBondContact O-OG 3.45Å; L45-S48 PolarHBondContact O-N 2.92Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-OG 3.34Å
49Q66.3Low68.6Low79 Ų7970.4 Ų70.437%0.36936%0.363SS..Hα-helixtrans-95.2-0.5-179.8-59.9-60.7-43.300112.5L45 K47 L51L45-Q49 HydrophobicContact CD1-CG 3.86Å; L45-Q49 HydrophobicContact CG-CG 4.29Å; L45-Q49 WeakPolarHBondContact O-CG 3.33Å; L45-Q49 PolarHBondContact O-N 3.49Å; K47-Q49 VanDerWaalsContact C-N 3.32Å; K47-Q49 PolarHBondContact O-N 3.24Å; Q49-L51 HydrophobicContact CB-CD1 3.6Å; Q49-L51 HydrophobicContact CB-CG 3.63Å; Q49-L51 HydrophobicContact CG-CD1 4.26Å; Q49-L51 PolarHBondContact O-N 3.37Å
50N65.4Low66.5Low152 Ų15263.1 Ų63.181%0.81334%0.337SS*.THydrogen-bonded Turntrans50.741-173.4-165.864.8000112.5W46 K47W46-N50 WeakPolarHBondContact O-CA 3.42Å; W46-N50 PolarHBondContact O-N 2.56Å; K47-N50 PolarHBondContact O-N 3.46Å
51L66.5Low64.3Low36 Ų3663 Ų6319%0.18834%0.336CS..  trans-92129.8179.5-67.4169.9000110W46 Q49 F56W46-L51 PolarHBondContact O-N 3.47Å; Q49-L51 HydrophobicContact CB-CD1 3.6Å; Q49-L51 HydrophobicContact CB-CG 3.63Å; Q49-L51 HydrophobicContact CG-CD1 4.26Å; Q49-L51 PolarHBondContact O-N 3.37Å; L51-F56 HydrophobicContact CD2-CE2 4.41Å
52D65.2Low62.1Low67 Ų6764 Ų6436%0.35834%0.343SS..  trans-124.4102.4165.3-176.2-2.7000108.4I54 Q55 F56D52-I54 PolarHBondContact O-N 2.8Å; D52-I54 VanDerWaalsContact OD1-CB 3.3Å; D52-I54 WeakPolarHBondContact OD1-CB 3.49Å; D52-I54 PolarHBondContact OD1-N 3.11Å; D52-Q55 PolarHBondContact O-N 3.28Å; D52-F56 PolarHBondContact O-N 2.91Å; D52-F56 VanDerWaalsContact O-N 3.17Å
53M66.2Low59.9Low12 Ų1270 Ų706%0.05938%0.375CS..THydrogen-bonded Turntrans-75.2-7.5-178-54.7-66.4-78.400112.3F56 G308M53-F56 HydrophobicContact SD-CD2 4.42Å; M53-G308 VanDerWaalsContact CB-O 3.31Å; M53-G308 WeakPolarHBondContact CB-O 3.13Å; M53-G308 PolarHBondContact N-O 3.03Å
54I64.9Low57.9Low32 Ų3277.7 Ų77.716%0.16441%0.406CS..THydrogen-bonded Turntrans-80-32.5172.9-66.6157.4000111.2D52 P305 G308 Y310D52-I54 PolarHBondContact O-N 2.8Å; D52-I54 VanDerWaalsContact OD1-CB 3.3Å; D52-I54 WeakPolarHBondContact OD1-CB 3.49Å; D52-I54 PolarHBondContact OD1-N 3.11Å; I54-P305 HydrophobicContact CD1-CB 3.53Å; I54-G308 PolarHBondContact N-O 2.81Å; I54-Y310 HydrophobicContact CB-CE2 4.19Å; I54-Y310 HydrophobicContact CG1-CD2 4.15Å; I54-Y310 HydrophobicContact CG1-CE2 3.89Å; I54-Y310 HydrophobicContact CG2-CE2 3.73Å
55Q56.4Low56Low134 Ų13474.2 Ų74.263%0.62640%0.397SS*.SBendtrans-119.926.7-176.9-60.6-168-1.400112.9D52 T57D52-Q55 PolarHBondContact O-N 3.28Å; Q55-T57 PolarHBondContact O-N 3.48Å; Q55-T57 VanDerWaalsContact O-N 3.13Å
56F57.3Low54.5Low26 Ų2675.2 Ų75.211%0.11441%0.407CS..  trans-65116.2-177.8-164.6-91.6000110.8L51 D52 M53 E58 I71 T141 L358L51-F56 HydrophobicContact CD2-CE2 4.41Å; D52-F56 PolarHBondContact O-N 2.91Å; D52-F56 VanDerWaalsContact O-N 3.17Å; M53-F56 HydrophobicContact SD-CD2 4.42Å; F56-E58 HydrophobicContact CE1-CB 4.25Å; F56-I71 HydrophobicContact CD1-CG2 3.64Å; F56-I71 HydrophobicContact CE1-CB 4.33Å; F56-I71 HydrophobicContact CE1-CD1 4.01Å; F56-I71 HydrophobicContact CE1-CG1 3.9Å; F56-I71 HydrophobicContact CE1-CG2 3.57Å; F56-I71 HydrophobicContact CG-CG2 4.42Å; F56-I71 HydrophobicContact CZ-CG2 4.29Å; F56-T141 HydrophobicContact CE2-CG2 4.34Å; F56-T141 HydrophobicContact CZ-CG2 4.17Å; F56-L358 HydrophobicContact CD1-CD1 3.97Å; F56-L358 HydrophobicContact CE1-CD1 4.31Å
57T51.6Low53.4Low91 Ų9175.7 Ų75.756%0.55841%0.41SS*.EExtended strand (participates in β ladder)trans-117.2132.9-179.644.20000108.5Q55 D359Q55-T57 PolarHBondContact O-N 3.48Å; Q55-T57 VanDerWaalsContact O-N 3.13Å; T57-D359 HydrophobicContact CG2-CB 4.17Å; T57-D359 WeakPolarHBondContact CG2-OD2 3.47Å
58E52.6Low52.5Low12 Ų1268 Ų686%0.05638%0.377CS..EExtended strand (participates in β ladder)trans-126.5123.8179.5-159.5-167.8179.400111.9F56 C60 I71 G140 L358 D359 H361F56-E58 HydrophobicContact CE1-CB 4.25Å; E58-C60 PolarHBondContact O-N 3.08Å; E58-I71 HydrophobicContact CB-CD1 4.47Å; E58-I71 WeakPolarHBondContact OE2-CD1 3.42Å; E58-G140 WeakPolarHBondContact OE1-CA 3.41Å; E58-L358 HydrophobicContact CB-CD1 4.04Å; E58-D359 CarbonylContact C-O 3.51Å; E58-D359 PolarHBondContact N-O 3.13Å; E58-H361 PolarHBondContact O-CD2 2.73Å
59S43.9Very low51.8Low85 Ų8565 Ų6559%0.59436%0.356SS*.  trans-81.292.6167.458.10000111S61 N67S59-S61 PolarHBondContact O-N 3.03Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S59-N67 PolarHBondContact O-ND2 3.23Å
60C40.2Very low51.2Low10 Ų1061.6 Ų61.67%0.06834%0.34CS..  trans-75.789.6165.8-54.40000110E58 M62 I360E58-C60 PolarHBondContact O-N 3.08Å; C60-M62 PolarHBondContact O-N 2.82Å; C60-I360 HydrophobicContact CB-CG2 4.17Å
61S33.8Very low50.7Low58 Ų5854.6 Ų54.641%0.40630%0.302SS..  trans-82.8109170.851.50000110S59 D63S59-S61 PolarHBondContact O-N 3.03Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S61-D63 PolarHBondContact O-N 3.17Å
62M37.2Very low50.3Low104 Ų10453 Ų5351%0.51229%0.294SS..  trans-73.921.3172.1-74.1-121-74.100113.7C60 P363C60-M62 PolarHBondContact O-N 2.82Å; M62-P363 HydrophobicContact CB-CG 3.52Å; M62-P363 HydrophobicContact CE-CG 4Å; M62-P363 HydrophobicContact CG-CG 3.74Å
63D33.7Very low50.4Low129 Ų12950.4 Ų50.469%0.6928%0.279SS*.SBendtrans-100.699.4177.5-144.60.7000109.5S61 S65S61-D63 PolarHBondContact O-N 3.17Å; D63-S65 PolarHBondContact O-N 2.87Å
64Q37.8Very low50.6Low198 Ų19850.1 Ų50.193%0.92528%0.278SS*.SBendtrans57.9-7.9169.8-59.4-172.710.900119.8
65S39.5Very low51.1Low58 Ų5848.9 Ų48.941%0.40627%0.272SS..SBendtrans-115115.6166.957.90000109.8D63 N67D63-S65 PolarHBondContact O-N 2.87Å; S65-N67 PolarHBondContact O-N 2.88Å; S65-N67 VanDerWaalsContact O-N 3.13Å
66A47.1Very low52.2Low35 Ų3542.8 Ų42.829%0.28924%0.243SC..  trans-66.4114.5173.600000108.8Q138 V194A66-Q138 PolarHBondContact O-N 3.08Å; A66-V194 HydrophobicContact CB-CG2 3.29Å
67N50.8Low53.4Low23 Ų2342.4 Ų42.412%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-90.2113.6166.4-82.87.7000107.5S59 S65 Q138S59-N67 PolarHBondContact O-ND2 3.23Å; S65-N67 PolarHBondContact O-N 2.88Å; S65-N67 VanDerWaalsContact O-N 3.13Å; N67-Q138 WeakPolarHBondContact CA-O 3.45Å; N67-Q138 WeakPolarHBondContact OD1-CB 3.44Å; N67-Q138 VanDerWaalsContact OD1-CG 3.23Å; N67-Q138 WeakPolarHBondContact OD1-CG 3.34Å
68E57.1Low55.2Low5 Ų538.7 Ų38.72%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-96.3119.7172.2-65.4-65.3177.600108L70 S99 I137 Q138 Y139 G140E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 2.79Å; E68-S99 VanDerWaalsContact CD-CB 3.43Å; E68-S99 WeakPolarHBondContact OE2-CA 3.31Å; E68-S99 VanDerWaalsContact OE2-CB 3.3Å; E68-S99 WeakPolarHBondContact OE2-CB 3.17Å; E68-I137 HydrophobicContact CB-CG2 4.24Å; E68-I137 HydrophobicContact CG-CG2 3.84Å; E68-Q138 PolarHBondContact N-O 3.14Å; E68-Y139 HydrophobicContact CB-CD1 3.57Å; E68-Y139 HydrophobicContact CB-CE1 3.56Å; E68-Y139 HydrophobicContact CG-CE1 4.27Å; E68-Y139 WeakPolarHBondContact O-CA 3.47Å; E68-Y139 WeakPolarHBondContact O-CD1 3.45Å; E68-G140 PolarHBondContact O-N 3.44Å
69P53.6Low57Low19 Ų1938.4 Ų38.412%0.12322%0.216CC..  trans-73.278.4-174.827-32.5000112.2I71P69-I71 HydrophobicContact CB-CD1 3.57Å; P69-I71 HydrophobicContact CB-CG1 3.95Å; P69-I71 PolarHBondContact O-N 3.25Å
70L55.1Low59.3Low8 Ų834.5 Ų34.54%0.04219%0.189CC..  trans-7959.6168.5-155.893.1000111.2E68 Y73 Y139 T141 T175 F176 I184E68-L70 VanDerWaalsContact C-N 3.31Å; E68-L70 PolarHBondContact O-N 2.79Å; L70-Y73 HydrophobicContact CD2-CD1 3.97Å; L70-Y73 HydrophobicContact CD2-CG 4.08Å; L70-Y73 HydrophobicContact CG-CD1 4.45Å; L70-Y139 HydrophobicContact CB-CD1 3.51Å; L70-Y139 HydrophobicContact CB-CE1 4.42Å; L70-Y139 HydrophobicContact CB-CG 3.74Å; L70-Y139 HydrophobicContact CD1-CD1 4.17Å; L70-Y139 HydrophobicContact CD1-CE1 4.3Å; L70-Y139 HydrophobicContact CD2-CG 4.44Å; L70-Y139 HydrophobicContact CG-CD1 4.32Å; L70-T141 PolarHBondContact O-OG1 3.39Å; L70-T141 VanDerWaalsContact O-OG1 3.1Å; L70-T175 HydrophobicContact CD2-CG2 4.33Å; L70-F176 HydrophobicContact CD2-CE1 4.48Å; L70-I184 HydrophobicContact CD1-CD1 3.5Å
71I54.1Low61.9Low5 Ų536.6 Ų36.63%0.02620%0.202CC..  trans-89-21-167.4-61.9172.3000111.2F56 E58 P69 L358F56-I71 HydrophobicContact CD1-CG2 3.64Å; F56-I71 HydrophobicContact CE1-CB 4.33Å; F56-I71 HydrophobicContact CE1-CD1 4.01Å; F56-I71 HydrophobicContact CE1-CG1 3.9Å; F56-I71 HydrophobicContact CE1-CG2 3.57Å; F56-I71 HydrophobicContact CG-CG2 4.42Å; F56-I71 HydrophobicContact CZ-CG2 4.29Å; E58-I71 HydrophobicContact CB-CD1 4.47Å; E58-I71 WeakPolarHBondContact OE2-CD1 3.42Å; P69-I71 HydrophobicContact CB-CD1 3.57Å; P69-I71 HydrophobicContact CB-CG1 3.95Å; P69-I71 PolarHBondContact O-N 3.25Å; I71-L358 HydrophobicContact CD1-CD1 3.17Å; I71-L358 HydrophobicContact CD1-CD2 3.47Å; I71-L358 VanDerWaalsContact CD1-CD2 3.47Å; I71-L358 HydrophobicContact CD1-CG 3.91Å; I71-L358 HydrophobicContact CG1-CD1 4.44Å; I71-L358 HydrophobicContact CG2-CD1 4.34Å
72N57.7Low65Low2 Ų234 Ų341%0.01118%0.183CC..  trans-127.826.2-171.5-67.3-17.8000114L74 D75 M76 T284 Q356N72-L74 PolarHBondContact O-N 3.2Å; N72-L74 VanDerWaalsContact O-N 3.13Å; N72-D75 PolarHBondContact O-N 3.27Å; N72-M76 PolarHBondContact O-N 3.06Å; N72-T284 HydrophobicContact CB-CG2 4.24Å; N72-T284 VanDerWaalsContact ND2-CG2 3.34Å; N72-T284 WeakPolarHBondContact ND2-CG2 3.34Å; N72-Q356 PolarHBondContact OD1-NE2 2.97Å; N72-Q356 VanDerWaalsContact OD1-NE2 3.08Å; N72-Q356 PolarHBondContact OD1-OE1 3.02Å
73Y68.1Low67.9Low13 Ų1329.8 Ų29.85%0.05116%0.164CC..G310 helixtrans-57.7-29.4177.275.5-84.1000112.7L32 L70 D75 M76 T141 T175L32-Y73 HydrophobicContact CD2-CE2 4.15Å; L70-Y73 HydrophobicContact CD2-CD1 3.97Å; L70-Y73 HydrophobicContact CD2-CG 4.08Å; L70-Y73 HydrophobicContact CG-CD1 4.45Å; Y73-D75 PolarHBondContact O-N 2.98Å; Y73-M76 WeakPolarHBondContact O-CB 3.31Å; Y73-M76 PolarHBondContact O-N 2.84Å; Y73-M76 VanDerWaalsContact O-N 3.11Å; Y73-T141 HydrophobicContact CE1-CG2 4.39Å; Y73-T141 WeakPolarHBondContact CE1-OG1 3.38Å; Y73-T175 HydrophobicContact CD1-CG2 3.59Å; Y73-T175 HydrophobicContact CD2-CG2 3.76Å; Y73-T175 HydrophobicContact CE1-CG2 3.24Å; Y73-T175 HydrophobicContact CE2-CG2 3.42Å; Y73-T175 VanDerWaalsContact CE2-CG2 3.42Å; Y73-T175 HydrophobicContact CG-CG2 3.85Å; Y73-T175 VanDerWaalsContact CZ-CB 3.48Å; Y73-T175 WeakPolarHBondContact OH-CA 3.41Å; Y73-T175 WeakPolarHBondContact OH-CB 3.49Å; Y73-T175 PolarHBondContact OH-OG1 3.16Å
74L70.1Confident71Confident5 Ų523.7 Ų23.73%0.02613%0.131CC..G310 helixtrans-59.1-29.2175.6-71.8-177.6000112.5S31 L32 K33 L45 N72S31-L74 WeakPolarHBondContact CB-O 3.24Å; S31-L74 PolarHBondContact OG-O 3.28Å; L32-L74 HydrophobicContact CB-CD2 4.36Å; L32-L74 HydrophobicContact CD2-CD2 3.55Å; L32-L74 HydrophobicContact CG-CD2 3.97Å; L32-L74 PolarHBondContact N-O 2.95Å; K33-L74 HydrophobicContact CB-CB 4.16Å; K33-L74 WeakPolarHBondContact CB-O 3.45Å; K33-L74 PolarHBondContact N-O 2.79Å; L45-L74 HydrophobicContact CD2-CD1 4.27Å; L45-L74 HydrophobicContact CD2-CD2 4.08Å; N72-L74 PolarHBondContact O-N 3.2Å; N72-L74 VanDerWaalsContact O-N 3.13Å
75D75.8Confident73.8Confident7 Ų714.3 Ų14.34%0.0379%0.088CC..G310 helixtrans-97.3-2.9-179.7-68.4-77.5000112.8K33 N72 Y73 E77 S285K33-D75 WeakPolarHBondContact CD-OD1 3.37Å; K33-D75 WeakPolarHBondContact CE-OD1 3.42Å; K33-D75 IonicContact NZ-OD1 2.67Å; K33-D75 PolarHBondContact NZ-OD1 2.93Å; K33-D75 IonicContact NZ-OD2 3.75Å; K33-D75 PolarHBondContact NZ-OD2 3.34Å; N72-D75 PolarHBondContact O-N 3.27Å; Y73-D75 PolarHBondContact O-N 2.98Å; D75-E77 WeakPolarHBondContact O-CG 3.32Å; D75-E77 PolarHBondContact O-N 3.25Å; D75-S285 WeakPolarHBondContact O-CB 3.34Å; D75-S285 PolarHBondContact O-OG 3.27Å
76M80.5Confident76.6Confident6 Ų613.3 Ų13.33%0.038%0.081CC..  trans-63131.7-178.8-75-71.6101.500111.6S31 N72 Y73 F79 I94 G283 T284 S285S31-M76 WeakPolarHBondContact CA-O 3.41Å; S31-M76 WeakPolarHBondContact CB-O 3.17Å; N72-M76 PolarHBondContact O-N 3.06Å; Y73-M76 WeakPolarHBondContact O-CB 3.31Å; Y73-M76 PolarHBondContact O-N 2.84Å; Y73-M76 VanDerWaalsContact O-N 3.11Å; M76-F79 HydrophobicContact CB-CE1 4.33Å; M76-F79 HydrophobicContact CB-CZ 4.15Å; M76-I94 HydrophobicContact CB-CD1 4.32Å; M76-I94 HydrophobicContact CG-CD1 3.8Å; M76-I94 HydrophobicContact SD-CD1 4.08Å; M76-I94 HydrophobicContact SD-CG2 4.24Å; M76-G283 VanDerWaalsContact CE-O 3.31Å; M76-G283 WeakPolarHBondContact CE-O 3.39Å; M76-T284 VanDerWaalsContact CE-C 3.44Å; M76-S285 WeakPolarHBondContact CE-OG 3.43Å; M76-S285 PolarHBondContact N-OG 2.98Å
77E82.4Confident79Confident18 Ų1816 Ų168%0.08410%0.096CC..  trans-125.3-19.6-179.9-62.9-171.6140.400113.3R28 H29 D75 F79R28-E77 CarbonylContact C-O 3.57Å; R28-E77 WeakPolarHBondContact CA-O 3.29Å; R28-E77 HydrophobicContact CG-CB 3.82Å; R28-E77 IonicContact CZ-OE2 3.57Å; R28-E77 IonicContact NE-OE2 3.53Å; R28-E77 PolarHBondContact NE-OE2 2.88Å; R28-E77 IonicContact NH2-OE1 2.68Å; R28-E77 IonicContact NH2-OE2 3.47Å; R28-E77 PolarHBondContact NH2-OE2 2.84Å; H29-E77 PolarHBondContact N-O 2.79Å; H29-E77 WeakPolarHBondContact O-CA 3.14Å; H29-E77 WeakPolarHBondContact O-CB 3.03Å; H29-E77 WeakPolarHBondContact O-CG 3.37Å; D75-E77 WeakPolarHBondContact O-CG 3.32Å; D75-E77 PolarHBondContact O-N 3.25Å; E77-F79 VanDerWaalsContact C-CE2 3.48Å; E77-F79 WeakPolarHBondContact O-CD2 3.12Å; E77-F79 WeakPolarHBondContact O-CE2 3.16Å
78Y87.8Confident81.3Confident12 Ų1218.8 Ų18.85%0.04712%0.115CC..EExtended strand (participates in β ladder)trans-107.1126-172.7-60.6-80.1000113.2L26 R27 R28 M219 S220 S229 D372 R376L26-Y78 HydrophobicContact CB-CD1 4.45Å; R27-Y78 WeakPolarHBondContact O-CA 3.49Å; R28-Y78 HydrophobicContact CB-CD1 4.24Å; R28-Y78 HydrophobicContact CB-CE1 4.01Å; R28-Y78 HydrophobicContact CG-CD1 4.32Å; R28-Y78 HydrophobicContact CG-CE1 3.89Å; Y78-M219 HydrophobicContact CD2-CE 4.23Å; Y78-M219 HydrophobicContact CD2-CG 4.48Å; Y78-M219 HydrophobicContact CD2-SD 4.12Å; Y78-M219 HydrophobicContact CE1-CB 4.38Å; Y78-M219 HydrophobicContact CE1-CG 4.49Å; Y78-M219 HydrophobicContact CE2-CB 4.42Å; Y78-M219 HydrophobicContact CE2-CG 4.24Å; Y78-M219 HydrophobicContact CE2-SD 3.9Å; Y78-S220 PolarHBondContact OH-O 3.44Å; Y78-S229 VanDerWaalsContact CE1-OG 3.24Å; Y78-S229 WeakPolarHBondContact CE1-OG 3.29Å; Y78-D372 VanDerWaalsContact CD2-OD2 3.29Å; Y78-D372 WeakPolarHBondContact CD2-OD2 3.46Å; Y78-D372 HydrophobicContact CE2-CB 4.34Å; Y78-D372 WeakPolarHBondContact CE2-OD2 3.35Å; Y78-R376 WeakPolarHBondContact OH-CD 3.37Å
79F90.3Very high83.2Confident7 Ų719.7 Ų19.73%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-137.1144.5-177.6-48.6-79.8000110.8L26 R27 H29 M76 E77 T92 V93 I94 E180 F181L26-F79 CarbonylContact C-O 3.58Å; L26-F79 WeakPolarHBondContact CA-O 3.42Å; R27-F79 PolarHBondContact N-O 3.44Å; R27-F79 PolarHBondContact O-N 2.85Å; H29-F79 HydrophobicContact CB-CD2 4.26Å; H29-F79 HydrophobicContact CB-CE2 3.97Å; H29-F79 AromaticContact CD2-CD2 3.69Å; M76-F79 HydrophobicContact CB-CE1 4.33Å; M76-F79 HydrophobicContact CB-CZ 4.15Å; E77-F79 VanDerWaalsContact C-CE2 3.48Å; E77-F79 WeakPolarHBondContact O-CD2 3.12Å; E77-F79 WeakPolarHBondContact O-CE2 3.16Å; F79-T92 HydrophobicContact CB-CG2 3.67Å; F79-T92 HydrophobicContact CG-CG2 4.24Å; F79-V93 WeakPolarHBondContact CA-O 3.2Å; F79-I94 HydrophobicContact CD1-CG1 3.8Å; F79-I94 HydrophobicContact CE1-CD1 4.24Å; F79-I94 HydrophobicContact CE1-CG1 3.77Å; F79-E180 HydrophobicContact CE2-CB 4.47Å; F79-E180 HydrophobicContact CZ-CB 4.23Å; F79-F181 HydrophobicContact CD1-CB 3.74Å; F79-F181 HydrophobicContact CD1-CD1 4.48Å; F79-F181 HydrophobicContact CD1-CG 4.5Å; F79-F181 HydrophobicContact CE1-CB 3.84Å; F79-F181 AromaticContact CE1-CD1 3.75Å; F79-F181 HydrophobicContact CE1-CD1 3.75Å; F79-F181 HydrophobicContact CE1-CG 4.2Å
80G92.5Very high85.3Confident2 Ų223.6 Ų23.62%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-121.3179.816800000111.5T92 V93G80-T92 WeakPolarHBondContact O-CA 3.27Å; G80-V93 PolarHBondContact N-O 3.37Å; G80-V93 PolarHBondContact O-N 2.85Å
81T95.7Very high87.3Confident55 Ų5523.3 Ų23.334%0.33714%0.137SC..EExtended strand (participates in β ladder)trans-116.3134.5-178.3-56.80000110.1N90 F91T81-N90 HydrophobicContact CG2-CB 4.39Å; T81-F91 WeakPolarHBondContact CA-O 3.31Å
82I98.1Very high89.3Confident3 Ų325.2 Ų25.22%0.01515%0.149CC..EExtended strand (participates in β ladder)trans-123167.3170.671.7174.1000109I84 N90 F91 V93 F95 L102 V153 S154 V155 L185I82-I84 HydrophobicContact CD1-CD1 4.32Å; I82-I84 HydrophobicContact CD1-CG1 4.39Å; I82-N90 CarbonylContact O-C 3.45Å; I82-N90 WeakPolarHBondContact O-CA 3.29Å; I82-F91 HydrophobicContact CG1-CB 4.09Å; I82-F91 PolarHBondContact N-O 2.93Å; I82-F91 PolarHBondContact O-N 3.04Å; I82-V93 HydrophobicContact CD1-CG1 3.74Å; I82-V93 HydrophobicContact CD1-CG2 4.32Å; I82-V93 HydrophobicContact CG1-CG1 3.91Å; I82-V93 HydrophobicContact CG1-CG2 4.32Å; I82-V93 HydrophobicContact CG2-CG2 3.67Å; I82-F95 HydrophobicContact CG2-CE2 4.49Å; I82-F95 HydrophobicContact CG2-CZ 3.84Å; I82-L102 HydrophobicContact CD1-CD1 3.62Å; I82-L102 HydrophobicContact CD1-CD2 4.42Å; I82-V153 HydrophobicContact CD1-CG1 4.48Å; I82-S154 WeakPolarHBondContact CA-O 3.31Å; I82-V155 HydrophobicContact CB-CG2 3.9Å; I82-V155 HydrophobicContact CG2-CG2 3.42Å; I82-V155 VanDerWaalsContact CG2-CG2 3.42Å; I82-L185 HydrophobicContact CD1-CD1 4.3Å; I82-L185 HydrophobicContact CG2-CD1 3.85Å
83S98.4Very high91Very high16 Ų1625.1 Ų25.111%0.11215%0.149CC..EExtended strand (participates in β ladder)trans-132.7146.7168.664.30000111.7Q89 N90 V153 S154S83-Q89 CarbonylContact C-O 3.36Å; S83-Q89 WeakPolarHBondContact CA-O 3.5Å; S83-N90 VanDerWaalsContact CB-OD1 3.31Å; S83-N90 WeakPolarHBondContact CB-OD1 3.42Å; S83-V153 CarbonylContact O-C 3.46Å; S83-V153 WeakPolarHBondContact O-CA 3.33Å; S83-S154 PolarHBondContact N-O 3.29Å; S83-S154 PolarHBondContact O-N 3.12Å; S83-S154 WeakPolarHBondContact OG-CB 3.39Å
84I98.6Very high92.2Very high0 Ų024.7 Ų24.70%015%0.147CC..EExtended strand (participates in β ladder)trans-126.6133.7-178.6-48.5-172.7000108.9I82 Q89 F91 L102 V104 F120 D151 Q152 V153 F165I82-I84 HydrophobicContact CD1-CD1 4.32Å; I82-I84 HydrophobicContact CD1-CG1 4.39Å; I84-Q89 PolarHBondContact N-O 3.29Å; I84-Q89 WeakPolarHBondContact O-CB 3.44Å; I84-Q89 PolarHBondContact O-N 2.73Å; I84-F91 HydrophobicContact CB-CD2 4.47Å; I84-F91 HydrophobicContact CB-CE2 4.08Å; I84-F91 HydrophobicContact CD1-CD2 4.17Å; I84-F91 HydrophobicContact CD1-CE2 4.23Å; I84-F91 HydrophobicContact CG1-CD2 3.96Å; I84-F91 HydrophobicContact CG1-CE2 4.03Å; I84-L102 HydrophobicContact CD1-CD2 4.42Å; I84-V104 HydrophobicContact CD1-CG1 3.93Å; I84-V104 HydrophobicContact CD1-CG2 3.84Å; I84-F120 HydrophobicContact CB-CD2 4.11Å; I84-F120 HydrophobicContact CB-CE2 3.98Å; I84-F120 HydrophobicContact CG2-CD2 4.04Å; I84-F120 HydrophobicContact CG2-CE2 3.58Å; I84-F120 HydrophobicContact CG2-CZ 4.15Å; I84-D151 HydrophobicContact CG2-CB 3.96Å; I84-Q152 WeakPolarHBondContact CA-O 3.33Å; I84-V153 HydrophobicContact CD1-CG2 4.42Å; I84-V153 HydrophobicContact CG1-CG2 4.13Å; I84-V153 HydrophobicContact CG2-CG2 4.24Å; I84-F165 HydrophobicContact CD1-CD2 4.12Å; I84-F165 HydrophobicContact CD1-CE2 4.14Å; I84-F165 HydrophobicContact CD1-CG 4.46Å; I84-F165 HydrophobicContact CG2-CD1 4.42Å; I84-F165 HydrophobicContact CG2-CE1 3.77Å; I84-F165 HydrophobicContact CG2-CE2 4.33Å; I84-F165 HydrophobicContact CG2-CZ 3.72Å
85G98Very high93.4Very high1 Ų124.8 Ų24.81%0.0115%0.148CC..THydrogen-bonded Turntrans92.1178.3174.100000116.7P87 P88 S125 D151 Q152G85-P87 CarbonylContact C-O 3.49Å; G85-P87 CarbonylContact O-C 3.53Å; G85-P88 WeakPolarHBondContact O-CA 3.29Å; G85-S125 WeakPolarHBondContact CA-OG 3.27Å; G85-D151 VanDerWaalsContact CA-CG 3.48Å; G85-D151 WeakPolarHBondContact CA-OD1 3.44Å; G85-D151 VanDerWaalsContact CA-OD2 3.27Å; G85-D151 WeakPolarHBondContact CA-OD2 3.49Å; G85-Q152 PolarHBondContact N-O 3.34Å; G85-Q152 PolarHBondContact O-NE2 3.49Å
86S97.5Very high94.3Very high38 Ų3825 Ų2527%0.26615%0.149SC..THydrogen-bonded Turntrans-137.3107.3179.1-176.40000111.4S125 S126 T127S86-S125 PolarHBondContact N-OG 2.57Å; S86-S125 WeakPolarHBondContact O-CA 3.31Å; S86-S126 PolarHBondContact O-N 3.28Å; S86-S126 PolarHBondContact O-OG 2.55Å; S86-T127 WeakPolarHBondContact CB-OG1 3.28Å; S86-T127 PolarHBondContact N-OG1 2.81Å
87P97.8Very high95Very high91 Ų9124.8 Ų24.859%0.59115%0.148SC*.THydrogen-bonded Turncis-64.61562.227.6-37000113.8G85 Q124G85-P87 CarbonylContact C-O 3.49Å; G85-P87 CarbonylContact O-C 3.53Å; P87-Q124 WeakPolarHBondContact CD-O 3.3Å
88P97.9Very high95.4Very high82 Ų8224 Ų2453%0.53215%0.145SC..THydrogen-bonded Turntrans-64135.6-176.5-2132.4000113.8G85G85-P88 WeakPolarHBondContact O-CA 3.29Å
89Q98.3Very high95.5Very high23 Ų2323.6 Ų23.611%0.10714%0.144CC..EExtended strand (participates in β ladder)trans-110.1121.9170.1-59.7173.453.800108.6S83 I84 F91 Q121S83-Q89 CarbonylContact C-O 3.36Å; S83-Q89 WeakPolarHBondContact CA-O 3.5Å; I84-Q89 PolarHBondContact N-O 3.29Å; I84-Q89 WeakPolarHBondContact O-CB 3.44Å; I84-Q89 PolarHBondContact O-N 2.73Å; Q89-F91 HydrophobicContact CB-CE2 3.88Å; Q89-F91 HydrophobicContact CB-CZ 4.25Å; Q89-F91 VanDerWaalsContact O-CD2 3.24Å; Q89-F91 WeakPolarHBondContact O-CD2 3.17Å; Q89-F91 WeakPolarHBondContact O-CE2 3.24Å; Q89-Q121 PolarHBondContact NE2-O 3.35Å
90N97.8Very high95.7Very high102 Ų10223.2 Ų23.255%0.54514%0.142SC..EExtended strand (participates in β ladder)trans-87.3144.4-171.8-64.1-26.9000112.3T81 I82 S83 T118T81-N90 HydrophobicContact CG2-CB 4.39Å; I82-N90 CarbonylContact O-C 3.45Å; I82-N90 WeakPolarHBondContact O-CA 3.29Å; S83-N90 VanDerWaalsContact CB-OD1 3.31Å; S83-N90 WeakPolarHBondContact CB-OD1 3.42Å; N90-T118 WeakPolarHBondContact O-CG2 3.17Å
91F97.3Very high95.8Very high1 Ų123.3 Ų23.30%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-137.5141.1176.7-61.1-88.6000110.4T81 I82 I84 Q89 V93 V104 T118 F120 D182T81-F91 WeakPolarHBondContact CA-O 3.31Å; I82-F91 HydrophobicContact CG1-CB 4.09Å; I82-F91 PolarHBondContact N-O 2.93Å; I82-F91 PolarHBondContact O-N 3.04Å; I84-F91 HydrophobicContact CB-CD2 4.47Å; I84-F91 HydrophobicContact CB-CE2 4.08Å; I84-F91 HydrophobicContact CD1-CD2 4.17Å; I84-F91 HydrophobicContact CD1-CE2 4.23Å; I84-F91 HydrophobicContact CG1-CD2 3.96Å; I84-F91 HydrophobicContact CG1-CE2 4.03Å; Q89-F91 HydrophobicContact CB-CE2 3.88Å; Q89-F91 HydrophobicContact CB-CZ 4.25Å; Q89-F91 VanDerWaalsContact O-CD2 3.24Å; Q89-F91 WeakPolarHBondContact O-CD2 3.17Å; Q89-F91 WeakPolarHBondContact O-CE2 3.24Å; F91-V93 HydrophobicContact CB-CG1 4.21Å; F91-V104 HydrophobicContact CB-CG1 4.13Å; F91-V104 HydrophobicContact CD1-CB 3.9Å; F91-V104 HydrophobicContact CD1-CG1 3.84Å; F91-V104 HydrophobicContact CD1-CG2 4.48Å; F91-V104 HydrophobicContact CD2-CG1 4.23Å; F91-V104 HydrophobicContact CE1-CB 3.98Å; F91-V104 HydrophobicContact CE1-CG1 4.34Å; F91-V104 HydrophobicContact CE1-CG2 4.15Å; F91-V104 HydrophobicContact CG-CB 4.32Å; F91-V104 HydrophobicContact CG-CG1 3.78Å; F91-V104 HydrophobicContact CZ-CB 4.48Å; F91-V104 HydrophobicContact CZ-CG2 4.2Å; F91-T118 HydrophobicContact CD1-CG2 4.11Å; F91-T118 HydrophobicContact CE1-CG2 3.86Å; F91-T118 HydrophobicContact CZ-CG2 4.42Å; F91-F120 HydrophobicContact CE1-CB 4.31Å; F91-F120 HydrophobicContact CE2-CD2 4.2Å; F91-F120 HydrophobicContact CZ-CB 3.69Å; F91-F120 HydrophobicContact CZ-CD2 4.09Å; F91-F120 HydrophobicContact CZ-CG 4.4Å; F91-D182 HydrophobicContact CB-CB 4.27Å; F91-D182 HydrophobicContact CD1-CB 3.97Å
92T94.6Very high95.8Very high45 Ų4520.9 Ų20.928%0.27613%0.127SC..EExtended strand (participates in β ladder)trans-86.8125.8167.7-55.60000108.4F79 G80 D182 G183F79-T92 HydrophobicContact CB-CG2 3.67Å; F79-T92 HydrophobicContact CG-CG2 4.24Å; G80-T92 WeakPolarHBondContact O-CA 3.27Å; T92-D182 PolarHBondContact N-OD2 2.88Å; T92-D182 WeakPolarHBondContact O-CA 3.36Å; T92-D182 WeakPolarHBondContact O-CB 3.42Å; T92-D182 PolarHBondContact O-N 2.95Å; T92-G183 PolarHBondContact O-N 2.85Å
93V94.7Very high95.7Very high0 Ų020.8 Ų20.80%013%0.126CC..EExtended strand (participates in β ladder)trans-133.3154-176.9-56.50000112.8F79 G80 I82 F91 F95 G183 L185F79-V93 WeakPolarHBondContact CA-O 3.2Å; G80-V93 PolarHBondContact N-O 3.37Å; G80-V93 PolarHBondContact O-N 2.85Å; I82-V93 HydrophobicContact CD1-CG1 3.74Å; I82-V93 HydrophobicContact CD1-CG2 4.32Å; I82-V93 HydrophobicContact CG1-CG1 3.91Å; I82-V93 HydrophobicContact CG1-CG2 4.32Å; I82-V93 HydrophobicContact CG2-CG2 3.67Å; F91-V93 HydrophobicContact CB-CG1 4.21Å; V93-F95 HydrophobicContact CG2-CD2 4.21Å; V93-F95 HydrophobicContact CG2-CE2 3.8Å; V93-F95 HydrophobicContact CG2-CZ 4.18Å; V93-G183 WeakPolarHBondContact CA-O 3.49Å; V93-G183 WeakPolarHBondContact CB-O 3.39Å; V93-L185 HydrophobicContact CG2-CB 4.01Å
94I92.5Very high95.5Very high4 Ų420 Ų202%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-80.1132.8161.9-60.1170.7000107.9M76 F79 D96 F181 G183 I184 L185M76-I94 HydrophobicContact CB-CD1 4.32Å; M76-I94 HydrophobicContact CG-CD1 3.8Å; M76-I94 HydrophobicContact SD-CD1 4.08Å; M76-I94 HydrophobicContact SD-CG2 4.24Å; F79-I94 HydrophobicContact CD1-CG1 3.8Å; F79-I94 HydrophobicContact CE1-CD1 4.24Å; F79-I94 HydrophobicContact CE1-CG1 3.77Å; I94-D96 HydrophobicContact CG2-CB 4.12Å; I94-F181 HydrophobicContact CD1-CD1 3.54Å; I94-F181 HydrophobicContact CD1-CD2 4.15Å; I94-F181 HydrophobicContact CD1-CE1 3.49Å; I94-F181 VanDerWaalsContact CD1-CE1 3.49Å; I94-F181 HydrophobicContact CD1-CE2 4.1Å; I94-F181 HydrophobicContact CD1-CG 3.87Å; I94-F181 HydrophobicContact CD1-CZ 3.78Å; I94-F181 HydrophobicContact CG1-CB 4.23Å; I94-F181 HydrophobicContact CG1-CD1 3.99Å; I94-F181 HydrophobicContact CG1-CD2 4.34Å; I94-F181 HydrophobicContact CG1-CE1 4.42Å; I94-F181 HydrophobicContact CG1-CG 3.93Å; I94-G183 PolarHBondContact N-O 3.18Å; I94-G183 VanDerWaalsContact N-O 3.17Å; I94-I184 HydrophobicContact CB-CG1 4.48Å; I94-L185 PolarHBondContact O-N 3.27Å
95F95.7Very high95.3Very high8 Ų820 Ų204%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-90.5105.7167.5-75.9-92.9000107.9V24 L26 I82 V93 V155 L185 L187 L231 F233 T282V24-F95 HydrophobicContact CG1-CE2 3.93Å; V24-F95 HydrophobicContact CG1-CZ 3.87Å; L26-F95 HydrophobicContact CD2-CD2 3.89Å; L26-F95 HydrophobicContact CD2-CE2 4.42Å; I82-F95 HydrophobicContact CG2-CE2 4.49Å; I82-F95 HydrophobicContact CG2-CZ 3.84Å; V93-F95 HydrophobicContact CG2-CD2 4.21Å; V93-F95 HydrophobicContact CG2-CE2 3.8Å; V93-F95 HydrophobicContact CG2-CZ 4.18Å; F95-V155 HydrophobicContact CE1-CG1 4.35Å; F95-V155 HydrophobicContact CZ-CG1 4.09Å; F95-L185 HydrophobicContact CD1-CB 4.48Å; F95-L185 HydrophobicContact CD1-CD1 4.45Å; F95-L185 HydrophobicContact CD1-CD2 3.94Å; F95-L185 HydrophobicContact CE1-CD1 3.84Å; F95-L185 HydrophobicContact CE1-CD2 4.07Å; F95-L185 HydrophobicContact CE1-CG 4.39Å; F95-L185 HydrophobicContact CZ-CD1 4.36Å; F95-L187 HydrophobicContact CB-CD1 3.92Å; F95-L187 HydrophobicContact CD1-CD1 4.11Å; F95-L231 HydrophobicContact CB-CD1 4.05Å; F95-L231 HydrophobicContact CD1-CD1 4.11Å; F95-L231 HydrophobicContact CD1-CD2 4.47Å; F95-L231 HydrophobicContact CG-CD1 4.23Å; F95-F233 HydrophobicContact CD1-CZ 4.41Å; F95-F233 HydrophobicContact CE1-CE2 4.23Å; F95-F233 HydrophobicContact CE1-CZ 4.13Å; F95-T282 WeakPolarHBondContact O-CB 3Å; F95-T282 PolarHBondContact O-OG1 3.35Å
96D94.3Very high95.2Very high12 Ų1220 Ų206%0.06412%0.121CC..EExtended strand (participates in β ladder)trans-117.1106.8-162.4176.312000111.2I94 G98 S99 I184 L185 G186 L187 G283I94-D96 HydrophobicContact CG2-CB 4.12Å; D96-G98 PolarHBondContact O-N 2.91Å; D96-G98 VanDerWaalsContact OD1-CA 3.24Å; D96-G98 WeakPolarHBondContact OD1-CA 3.26Å; D96-G98 PolarHBondContact OD1-N 2.92Å; D96-S99 VanDerWaalsContact CG-OG 3.29Å; D96-S99 VanDerWaalsContact O-O 3.09Å; D96-S99 PolarHBondContact OD1-N 3.06Å; D96-S99 VanDerWaalsContact OD2-CB 3.25Å; D96-S99 WeakPolarHBondContact OD2-CB 3.2Å; D96-S99 PolarHBondContact OD2-OG 2.85Å; D96-I184 HydrophobicContact CB-CG2 3.52Å; D96-L185 PolarHBondContact N-O 2.87Å; D96-G186 CarbonylContact O-C 3.52Å; D96-G186 WeakPolarHBondContact O-CA 3.3Å; D96-L187 PolarHBondContact O-N 2.96Å; D96-G283 VanDerWaalsContact OD1-CA 3.27Å; D96-G283 WeakPolarHBondContact OD1-CA 3.41Å
97T95.6Very high95Very high0 Ų020.2 Ų20.20%012%0.12CC..THydrogen-bonded Turntrans-75-11.417552.80000113.9L187 F215 V280 D281 T282 F382T97-L187 HydrophobicContact CG2-CB 3.89Å; T97-L187 HydrophobicContact CG2-CD1 4.27Å; T97-F215 HydrophobicContact CG2-CE2 3.73Å; T97-F215 HydrophobicContact CG2-CZ 3.83Å; T97-V280 PolarHBondContact OG1-O 2.92Å; T97-D281 VanDerWaalsContact OG1-CA 3.26Å; T97-D281 WeakPolarHBondContact OG1-CA 3.48Å; T97-D281 PolarHBondContact OG1-OD1 3.25Å; T97-T282 HydrophobicContact CG2-CG2 4.1Å; T97-T282 PolarHBondContact N-OG1 2.91Å; T97-T282 PolarHBondContact OG1-N 3.16Å; T97-T282 PolarHBondContact OG1-OG1 3.34Å; T97-F382 HydrophobicContact CG2-CD1 4.33Å; T97-F382 HydrophobicContact CG2-CE1 3.94Å; T97-F382 HydrophobicContact CG2-CE2 4.32Å; T97-F382 HydrophobicContact CG2-CZ 3.93Å
98G90Very high94.7Very high3 Ų323 Ų233%0.03112%0.12CC..THydrogen-bonded Turntrans-78.2-19.6174.900000113.4D96 Y255 D281D96-G98 PolarHBondContact O-N 2.91Å; D96-G98 VanDerWaalsContact OD1-CA 3.24Å; D96-G98 WeakPolarHBondContact OD1-CA 3.26Å; D96-G98 PolarHBondContact OD1-N 2.92Å; G98-Y255 VanDerWaalsContact O-CD1 3.31Å; G98-Y255 WeakPolarHBondContact O-CD1 3.21Å; G98-Y255 WeakPolarHBondContact O-CE1 3.42Å; G98-D281 WeakPolarHBondContact CA-OD1 3.46Å; G98-D281 PolarHBondContact N-OD1 3.15Å
99S90.3Very high94.2Very high2 Ų219.5 Ų19.51%0.01410%0.098CC..  trans-130.2170.3178.970.10000113.1E68 D96 G186 L187 G188E68-S99 VanDerWaalsContact CD-CB 3.43Å; E68-S99 WeakPolarHBondContact OE2-CA 3.31Å; E68-S99 VanDerWaalsContact OE2-CB 3.3Å; E68-S99 WeakPolarHBondContact OE2-CB 3.17Å; D96-S99 VanDerWaalsContact CG-OG 3.29Å; D96-S99 VanDerWaalsContact O-O 3.09Å; D96-S99 PolarHBondContact OD1-N 3.06Å; D96-S99 VanDerWaalsContact OD2-CB 3.25Å; D96-S99 WeakPolarHBondContact OD2-CB 3.2Å; D96-S99 PolarHBondContact OD2-OG 2.85Å; S99-G186 CarbonylContact O-C 3.57Å; S99-G186 VanDerWaalsContact O-C 3.29Å; S99-G186 WeakPolarHBondContact O-CA 3.22Å; S99-L187 PolarHBondContact O-N 3.1Å; S99-G188 WeakPolarHBondContact O-CA 3.23Å; S99-G188 PolarHBondContact O-N 3.31Å
100S94Very high93.6Very high0 Ų023.8 Ų23.80%013%0.125CC..  trans-123.5-10.4-175-69.20000115.9G188 Y189S100-G188 WeakPolarHBondContact OG-CA 3.23Å; S100-Y189 WeakPolarHBondContact CB-O 3.21Å; S100-Y189 PolarHBondContact OG-N 3.24Å; S100-Y189 PolarHBondContact OG-O 3.01Å
101N94.3Very high93.1Very high3 Ų319.7 Ų19.72%0.01610%0.104CC..  trans-86.7143.2178-71.782.5000111I137 G186 A193 V194 V197N101-I137 HydrophobicContact CB-CD1 3.77Å; N101-G186 PolarHBondContact O-N 3.1Å; N101-A193 WeakPolarHBondContact OD1-CA 3.16Å; N101-V194 PolarHBondContact ND2-O 2.78Å; N101-V194 VanDerWaalsContact ND2-O 3.07Å; N101-V194 PolarHBondContact OD1-N 3.02Å; N101-V197 VanDerWaalsContact ND2-CG2 3.29Å; N101-V197 WeakPolarHBondContact ND2-CG2 3.33Å
102L96.4Very high92.4Very high4 Ų423.9 Ų23.92%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-91.3133.4156.4170.362.2000108.2I82 I84 V153 Q163 F165 G166 I184 L185 V200I82-L102 HydrophobicContact CD1-CD1 3.62Å; I82-L102 HydrophobicContact CD1-CD2 4.42Å; I84-L102 HydrophobicContact CD1-CD2 4.42Å; L102-V153 HydrophobicContact CD2-CG1 4.09Å; L102-V153 HydrophobicContact CD2-CG2 3.77Å; L102-Q163 HydrophobicContact CD2-CG 4.21Å; L102-F165 HydrophobicContact CB-CB 4.07Å; L102-F165 HydrophobicContact CD2-CB 3.8Å; L102-F165 HydrophobicContact CG-CB 3.72Å; L102-F165 CarbonylContact O-C 3.45Å; L102-F165 WeakPolarHBondContact O-CA 3.06Å; L102-F165 WeakPolarHBondContact O-CB 3.28Å; L102-G166 PolarHBondContact O-N 3.42Å; L102-I184 WeakPolarHBondContact CA-O 3.2Å; L102-I184 WeakPolarHBondContact CD1-O 3.1Å; L102-L185 HydrophobicContact CD1-CB 3.96Å; L102-L185 HydrophobicContact CD1-CD1 4.42Å; L102-L185 HydrophobicContact CD1-CG 4.17Å; L102-V200 HydrophobicContact CB-CG2 3.92Å; L102-V200 HydrophobicContact CD2-CG2 3.83Å; L102-V200 HydrophobicContact CG-CG2 4.44Å
103W95Very high91.6Very high2 Ų221.8 Ų21.81%0.00812%0.119CC..EExtended strand (participates in β ladder)trans-146.1151.7168.864.8-89.5000112.1F135 Y139 L144 G166 F176 F181 G183 I184W103-F135 HydrophobicContact CB-CE2 4.45Å; W103-F135 HydrophobicContact CB-CZ 4.36Å; W103-Y139 AromaticContact NE1-CZ 3.8Å; W103-Y139 PolarHBondContact NE1-OH 3.38Å; W103-L144 HydrophobicContact CD2-CD2 3.43Å; W103-L144 VanDerWaalsContact CD2-CD2 3.43Å; W103-L144 VanDerWaalsContact CE2-CD2 3.41Å; W103-L144 HydrophobicContact CE3-CD2 3.63Å; W103-L144 HydrophobicContact CG-CD2 4.04Å; W103-L144 HydrophobicContact CH2-CD2 3.8Å; W103-L144 HydrophobicContact CZ2-CD2 3.59Å; W103-L144 HydrophobicContact CZ3-CD2 3.82Å; W103-G166 CarbonylContact C-O 3.53Å; W103-G166 WeakPolarHBondContact CA-O 3.4Å; W103-G166 WeakPolarHBondContact CB-O 3.45Å; W103-F176 HydrophobicContact CH2-CD1 4.34Å; W103-F176 HydrophobicContact CH2-CE1 4.17Å; W103-F176 HydrophobicContact CZ2-CE1 4.42Å; W103-F181 HydrophobicContact CH2-CE2 4.25Å; W103-F181 HydrophobicContact CZ2-CE2 4.34Å; W103-G183 WeakPolarHBondContact O-CA 3.42Å; W103-I184 HydrophobicContact CZ2-CB 4.25Å; W103-I184 HydrophobicContact CZ2-CD1 3.65Å; W103-I184 HydrophobicContact CZ2-CG1 3.61Å; W103-I184 PolarHBondContact N-O 2.84Å; W103-I184 PolarHBondContact O-N 3.45Å
104V95.8Very high91.1Very high0 Ų021.8 Ų21.80%012%0.119CC..EExtended strand (participates in β ladder)trans-142.2158.5173.3-63.70000111.1I84 F91 S106 F120 F165 G166 S168I84-V104 HydrophobicContact CD1-CG1 3.93Å; I84-V104 HydrophobicContact CD1-CG2 3.84Å; F91-V104 HydrophobicContact CB-CG1 4.13Å; F91-V104 HydrophobicContact CD1-CB 3.9Å; F91-V104 HydrophobicContact CD1-CG1 3.84Å; F91-V104 HydrophobicContact CD1-CG2 4.48Å; F91-V104 HydrophobicContact CD2-CG1 4.23Å; F91-V104 HydrophobicContact CE1-CB 3.98Å; F91-V104 HydrophobicContact CE1-CG1 4.34Å; F91-V104 HydrophobicContact CE1-CG2 4.15Å; F91-V104 HydrophobicContact CG-CB 4.32Å; F91-V104 HydrophobicContact CG-CG1 3.78Å; F91-V104 HydrophobicContact CZ-CB 4.48Å; F91-V104 HydrophobicContact CZ-CG2 4.2Å; V104-S106 PolarHBondContact O-N 2.93Å; V104-F120 HydrophobicContact CG2-CB 3.86Å; V104-F165 HydrophobicContact CG2-CD2 3.98Å; V104-F165 HydrophobicContact CG2-CE2 3.82Å; V104-G166 PolarHBondContact N-O 2.75Å; V104-S168 PolarHBondContact O-N 2.77Å; V104-S168 PolarHBondContact O-OG 3.32Å
105P94.6Very high90.6Very high0 Ų028.9 Ų28.90%015%0.15CC..EExtended strand (participates in β ladder)trans-62.2131.1177.6-23.436.3000111.7C114 H117 R119 F120 S168 D182P105-C114 HydrophobicContact CB-CB 4.46Å; P105-H117 HydrophobicContact CG-CB 4.22Å; P105-R119 HydrophobicContact CB-CG 3.84Å; P105-R119 CarbonylContact O-C 3.57Å; P105-R119 VanDerWaalsContact O-CA 3.23Å; P105-R119 WeakPolarHBondContact O-CA 3.19Å; P105-F120 PolarHBondContact O-N 2.88Å; P105-S168 VanDerWaalsContact CA-OG 3.23Å; P105-S168 WeakPolarHBondContact CA-OG 3.45Å; P105-D182 WeakPolarHBondContact CD-O 3.48Å; P105-D182 WeakPolarHBondContact CG-O 3.25Å
106S94Very high90Very high0 Ų033 Ų330%018%0.176CC..BIsolated β-bridgetrans-83.7153.7172.2-1680000111.3V104 Y108 C109 R119 E167 S168V104-S106 PolarHBondContact O-N 2.93Å; S106-Y108 PolarHBondContact O-N 2.94Å; S106-Y108 WeakPolarHBondContact OG-CD2 3.33Å; S106-Y108 PolarHBondContact OG-N 3.13Å; S106-C109 WeakPolarHBondContact O-CB 3.29Å; S106-C109 PolarHBondContact O-N 2.68Å; S106-R119 WeakPolarHBondContact O-CD 3.22Å; S106-E167 PolarHBondContact OG-OE2 2.81Å; S106-S168 WeakPolarHBondContact CB-O 3.35Å; S106-S168 PolarHBondContact N-O 2.79Å
107V93.9Very high89.7Confident43 Ų4333.5 Ų33.526%0.26118%0.178SC..THydrogen-bonded Turntrans-61.8-19.2165.9-76.10000114.1C109 R119 F120 Q121V107-C109 PolarHBondContact O-N 3.39Å; V107-R119 HydrophobicContact CG1-CB 3.71Å; V107-F120 WeakPolarHBondContact CG2-O 3.49Å; V107-F120 PolarHBondContact N-O 2.92Å; V107-Q121 HydrophobicContact CB-CG 4.24Å; V107-Q121 HydrophobicContact CG1-CB 4.43Å; V107-Q121 HydrophobicContact CG1-CG 3.21Å; V107-Q121 HydrophobicContact CG2-CG 4.13Å
108Y91.1Very high89.6Confident149 Ų14936.7 Ų36.758%0.58420%0.197SC*.THydrogen-bonded Turntrans-80.9-3.6172.8-56.8-60.4000113.3S106 T110 P122S106-Y108 PolarHBondContact O-N 2.94Å; S106-Y108 WeakPolarHBondContact OG-CD2 3.33Å; S106-Y108 PolarHBondContact OG-N 3.13Å; Y108-T110 PolarHBondContact O-N 2.71Å; Y108-P122 HydrophobicContact CE2-CG 4.44Å
109C89.1Confident89.9Confident9 Ų940.9 Ų40.96%0.06121%0.212CC..  trans-67.6129.4177-177.10000112.1S106 V107 C114 S168 V169S106-C109 WeakPolarHBondContact O-CB 3.29Å; S106-C109 PolarHBondContact O-N 2.68Å; V107-C109 PolarHBondContact O-N 3.39Å; C109-C114 HydrophobicContact CB-CB 3.36Å; C109-C114 WeakPolarHBondContact CB-SG 3.33Å; C109-C114 WeakPolarHBondContact SG-CB 3.26Å; C109-C114 CovalentContact SG-SG 2.01Å; C109-C114 PolarHBondContact SG-SG 2.95Å; C109-S168 WeakPolarHBondContact CB-O 3.36Å; C109-V169 VanDerWaalsContact CA-O 3.31Å; C109-V169 WeakPolarHBondContact CA-O 3.13Å; C109-V169 PolarHBondContact SG-O 3.32Å
110T85.6Confident90.2Very high113 Ų11340.8 Ų40.869%0.69321%0.211SC*.  trans-104.7-13.1-175.757.60000113.7Y108 V169Y108-T110 PolarHBondContact O-N 2.71Å; T110-V169 PolarHBondContact N-O 2.85Å
111S85.4Confident90.3Very high15 Ų1544 Ų4411%0.10523%0.226CC..SBendtrans-60.8151177.5-75.20000112.2A113 C114 E171S111-A113 PolarHBondContact O-N 3.35Å; S111-C114 PolarHBondContact O-N 2.77Å; S111-E171 VanDerWaalsContact CB-O 3.26Å; S111-E171 WeakPolarHBondContact CB-O 3.16Å; S111-E171 VanDerWaalsContact OG-C 3.29Å; S111-E171 PolarHBondContact OG-N 3.27Å; S111-E171 PolarHBondContact OG-O 2.91Å
112P83.8Confident90.4Very high90 Ų9044.4 Ų44.458%0.58423%0.229SC*.SBendtrans-54.4-38.1172.5-2735.9000113.5C114 K115 V177P112-C114 PolarHBondContact O-N 2.76Å; P112-K115 WeakPolarHBondContact O-CB 3.31Å; P112-K115 PolarHBondContact O-N 2.82Å; P112-K115 VanDerWaalsContact O-N 3.08Å; P112-V177 HydrophobicContact CB-CG2 4.08Å
113A78.6Confident90.3Very high0 Ų049.2 Ų49.20%026%0.263CS..G310 helixtrans-54.1-51-179.900000112.3S111 K115 T116 H117 E171 F176 V177S111-A113 PolarHBondContact O-N 3.35Å; A113-K115 PolarHBondContact O-N 3.25Å; A113-T116 PolarHBondContact O-N 2.87Å; A113-T116 PolarHBondContact O-OG1 2.81Å; A113-H117 PolarHBondContact O-CD2 2.94Å; A113-H117 VanDerWaalsContact O-CD2 3.26Å; A113-E171 HydrophobicContact CB-CB 4.16Å; A113-F176 VanDerWaalsContact CB-C 3.45Å; A113-F176 HydrophobicContact CB-CB 3.48Å; A113-F176 VanDerWaalsContact CB-CB 3.48Å; A113-F176 WeakPolarHBondContact CB-O 3.45Å; A113-V177 HydrophobicContact CB-CG2 3.92Å
114C82.4Confident90.4Very high0 Ų054 Ų540%029%0.285CS..G310 helixtrans-62.4-13.9-179.3-580000115P105 C109 S111 P112 R119 E171P105-C114 HydrophobicContact CB-CB 4.46Å; C109-C114 HydrophobicContact CB-CB 3.36Å; C109-C114 WeakPolarHBondContact CB-SG 3.33Å; C109-C114 WeakPolarHBondContact SG-CB 3.26Å; C109-C114 CovalentContact SG-SG 2.01Å; C109-C114 PolarHBondContact SG-SG 2.95Å; S111-C114 PolarHBondContact O-N 2.77Å; P112-C114 PolarHBondContact O-N 2.76Å; C114-R119 HydrophobicContact CB-CG 4.5Å; C114-R119 WeakPolarHBondContact O-CD 3.4Å; C114-R119 PolarHBondContact O-NE 2.84Å; C114-R119 VanDerWaalsContact O-NE 3.1Å; C114-E171 VanDerWaalsContact SG-CD 3.51Å; C114-E171 PolarHBondContact SG-OE2 3.08Å
115K82.1Confident90.5Very high153 Ų15354.6 Ų54.667%0.66529%0.29SS*.G310 helixtrans-78.1-24.2177.2-63.1-178.8-177174.70112.9P112 A113P112-K115 WeakPolarHBondContact O-CB 3.31Å; P112-K115 PolarHBondContact O-N 2.82Å; P112-K115 VanDerWaalsContact O-N 3.08Å; A113-K115 PolarHBondContact O-N 3.25Å
116T83.1Confident90.7Very high95 Ų9559.4 Ų59.458%0.58332%0.323SS*.THydrogen-bonded Turntrans-95.3-12.7179.5490000112.6A113A113-T116 PolarHBondContact O-N 2.87Å; A113-T116 PolarHBondContact O-OG1 2.81Å
117H88.5Confident90.8Very high23 Ų2362 Ų6211%0.10634%0.339CS..SBendtrans-104.9160.2-177.9-73.1-72.7000114.3P105 A113 F176 A179 F181 D182P105-H117 HydrophobicContact CG-CB 4.22Å; A113-H117 PolarHBondContact O-CD2 2.94Å; A113-H117 VanDerWaalsContact O-CD2 3.26Å; H117-F176 PolarHBondContact NE2-O 2.84Å; H117-F176 VanDerWaalsContact NE2-O 3.16Å; H117-A179 PolarHBondContact CE1-O 3.25Å; H117-A179 PolarHBondContact NE2-O 3.22Å; H117-F181 PolarHBondContact CE1-O 2.94Å; H117-F181 PolarHBondContact ND1-O 2.92Å; H117-F181 VanDerWaalsContact ND1-O 3.16Å; H117-D182 IonicContact CG-OD1 2.82Å; H117-D182 IonicContact ND1-OD1 3.34Å; H117-D182 PolarHBondContact ND1-OD1 3.5Å
118T93.9Very high91Very high66 Ų6662.1 Ų62.141%0.40534%0.335SS..  trans-66.1137.2170.1-51.50000109.3N90 F91 D182N90-T118 WeakPolarHBondContact O-CG2 3.17Å; F91-T118 HydrophobicContact CD1-CG2 4.11Å; F91-T118 HydrophobicContact CE1-CG2 3.86Å; F91-T118 HydrophobicContact CZ-CG2 4.42Å; T118-D182 PolarHBondContact N-OD1 3.38Å; T118-D182 PolarHBondContact OG1-OD1 3.31Å; T118-D182 PolarHBondContact OG1-OD2 3.32Å
119R95.5Very high91.2Very high92 Ų9258 Ų5835%0.34733%0.328SS..  trans-122.5133.7-176.7-74.3173-71.3163.61.4111.4P105 S106 V107 C114P105-R119 HydrophobicContact CB-CG 3.84Å; P105-R119 CarbonylContact O-C 3.57Å; P105-R119 VanDerWaalsContact O-CA 3.23Å; P105-R119 WeakPolarHBondContact O-CA 3.19Å; S106-R119 WeakPolarHBondContact O-CD 3.22Å; V107-R119 HydrophobicContact CG1-CB 3.71Å; C114-R119 HydrophobicContact CB-CG 4.5Å; C114-R119 WeakPolarHBondContact O-CD 3.4Å; C114-R119 PolarHBondContact O-NE 2.84Å; C114-R119 VanDerWaalsContact O-NE 3.1Å
120F97.1Very high90.7Very high0 Ų063.6 Ų63.60%035%0.354CS..BIsolated β-bridgetrans-68.4132174.4-175.6-107.6000111.3I84 F91 V104 P105 V107 P122 Y128 F165 E167I84-F120 HydrophobicContact CB-CD2 4.11Å; I84-F120 HydrophobicContact CB-CE2 3.98Å; I84-F120 HydrophobicContact CG2-CD2 4.04Å; I84-F120 HydrophobicContact CG2-CE2 3.58Å; I84-F120 HydrophobicContact CG2-CZ 4.15Å; F91-F120 HydrophobicContact CE1-CB 4.31Å; F91-F120 HydrophobicContact CE2-CD2 4.2Å; F91-F120 HydrophobicContact CZ-CB 3.69Å; F91-F120 HydrophobicContact CZ-CD2 4.09Å; F91-F120 HydrophobicContact CZ-CG 4.4Å; V104-F120 HydrophobicContact CG2-CB 3.86Å; P105-F120 PolarHBondContact O-N 2.88Å; V107-F120 WeakPolarHBondContact CG2-O 3.49Å; V107-F120 PolarHBondContact N-O 2.92Å; F120-P122 HydrophobicContact CD1-CG 3.82Å; F120-P122 HydrophobicContact CE1-CB 4.03Å; F120-P122 HydrophobicContact CE1-CG 3.69Å; F120-P122 WeakPolarHBondContact O-CD 3.37Å; F120-Y128 AromaticContact CE1-CD2 3.61Å; F120-Y128 HydrophobicContact CE1-CD2 3.61Å; F120-Y128 AromaticContact CE1-CE2 3.73Å; F120-Y128 HydrophobicContact CE1-CE2 3.73Å; F120-Y128 HydrophobicContact CE1-CG 4.5Å; F120-Y128 AromaticContact CZ-CD2 3.81Å; F120-Y128 HydrophobicContact CZ-CD2 3.81Å; F120-Y128 HydrophobicContact CZ-CE2 4.38Å; F120-F165 HydrophobicContact CD1-CE2 4.03Å; F120-F165 AromaticContact CD1-CZ 3.84Å; F120-F165 HydrophobicContact CD1-CZ 3.84Å; F120-F165 HydrophobicContact CD2-CZ 4.47Å; F120-F165 HydrophobicContact CE1-CE2 4.3Å; F120-F165 AromaticContact CE1-CZ 3.64Å; F120-F165 HydrophobicContact CE1-CZ 3.64Å; F120-F165 HydrophobicContact CE2-CZ 4.3Å; F120-F165 HydrophobicContact CG-CE2 4.25Å; F120-F165 HydrophobicContact CG-CZ 4.26Å; F120-F165 AromaticContact CZ-CZ 3.89Å; F120-F165 HydrophobicContact CZ-CZ 3.89Å; F120-E167 HydrophobicContact CD1-CG 4.19Å
121Q96.6Very high89.9Confident67 Ų6761.3 Ų61.331%0.31334%0.341SS..  trans-112.894.8178.7-74.6178.881.300109.8Q89 V107 S123 Q124Q89-Q121 PolarHBondContact NE2-O 3.35Å; V107-Q121 HydrophobicContact CB-CG 4.24Å; V107-Q121 HydrophobicContact CG1-CB 4.43Å; V107-Q121 HydrophobicContact CG1-CG 3.21Å; V107-Q121 HydrophobicContact CG2-CG 4.13Å; Q121-S123 VanDerWaalsContact C-N 3.25Å; Q121-S123 PolarHBondContact O-N 2.93Å; Q121-Q124 HydrophobicContact CB-CB 4Å; Q121-Q124 HydrophobicContact CB-CG 3.91Å; Q121-Q124 PolarHBondContact O-N 2.87Å; Q121-Q124 VanDerWaalsContact OE1-CD 3.23Å
122P95.1Very high89.1Confident12 Ų1262.6 Ų62.68%0.07836%0.357CS..G310 helixtrans-55.8-39.8179.3-27.133.8000113.2Y108 F120 Q124 S125 Y128 E167Y108-P122 HydrophobicContact CE2-CG 4.44Å; F120-P122 HydrophobicContact CD1-CG 3.82Å; F120-P122 HydrophobicContact CE1-CB 4.03Å; F120-P122 HydrophobicContact CE1-CG 3.69Å; F120-P122 WeakPolarHBondContact O-CD 3.37Å; P122-Q124 PolarHBondContact O-N 2.89Å; P122-Q124 VanDerWaalsContact O-N 3.16Å; P122-S125 PolarHBondContact O-N 2.91Å; P122-S125 VanDerWaalsContact O-N 3.11Å; P122-Y128 HydrophobicContact CB-CD1 3.76Å; P122-Y128 HydrophobicContact CB-CD2 4.23Å; P122-Y128 HydrophobicContact CB-CE1 3.63Å; P122-Y128 HydrophobicContact CB-CE2 4.1Å; P122-Y128 HydrophobicContact CB-CG 4.06Å; P122-Y128 HydrophobicContact CG-CE1 4.43Å; P122-Y128 HydrophobicContact CG-CE2 4.34Å; P122-E167 WeakPolarHBondContact CG-OE2 3.44Å
123S96Very high89.2Confident104 Ų10462.9 Ų62.973%0.72735%0.35SS*.G310 helixtrans-67.5-13.5-17959.50000114.5Q121Q121-S123 VanDerWaalsContact C-N 3.25Å; Q121-S123 PolarHBondContact O-N 2.93Å
124Q97.1Very high89.5Confident102 Ų10267.5 Ų67.548%0.47738%0.382SS..G310 helixtrans-97.5-1.8177-65.4-170.4-6.100113P87 Q121 P122P87-Q124 WeakPolarHBondContact CD-O 3.3Å; Q121-Q124 HydrophobicContact CB-CB 4Å; Q121-Q124 HydrophobicContact CB-CG 3.91Å; Q121-Q124 PolarHBondContact O-N 2.87Å; Q121-Q124 VanDerWaalsContact OE1-CD 3.23Å; P122-Q124 PolarHBondContact O-N 2.89Å; P122-Q124 VanDerWaalsContact O-N 3.16Å
125S97.8Very high89.6Confident13 Ų1368 Ų689%0.09138%0.384CS..  trans-108.5123.1177.3-179.20000111.1G85 S86 P122 T127 Y128 D151G85-S125 WeakPolarHBondContact CA-OG 3.27Å; S86-S125 PolarHBondContact N-OG 2.57Å; S86-S125 WeakPolarHBondContact O-CA 3.31Å; P122-S125 PolarHBondContact O-N 2.91Å; P122-S125 VanDerWaalsContact O-N 3.11Å; S125-T127 VanDerWaalsContact C-N 3.26Å; S125-T127 PolarHBondContact O-N 3.21Å; S125-T127 PolarHBondContact OG-N 2.99Å; S125-T127 PolarHBondContact OG-OG1 2.96Å; S125-Y128 PolarHBondContact OG-N 2.78Å; S125-D151 WeakPolarHBondContact CB-OD2 3.27Å; S125-D151 PolarHBondContact OG-OD1 3.22Å; S125-D151 PolarHBondContact OG-OD2 3.39Å
126S97.8Very high89.7Confident101 Ų10164 Ų6471%0.70638%0.376SS*.THydrogen-bonded Turntrans-74.8-15176.4590000113.8S86S86-S126 PolarHBondContact O-N 3.28Å; S86-S126 PolarHBondContact O-OG 2.55Å
127T97.4Very high89.4Confident55 Ų5559.5 Ų59.534%0.33735%0.348SS..THydrogen-bonded Turntrans-105.4-2.7-177.745.70000113.2S86 S125 D151S86-T127 WeakPolarHBondContact CB-OG1 3.28Å; S86-T127 PolarHBondContact N-OG1 2.81Å; S125-T127 VanDerWaalsContact C-N 3.26Å; S125-T127 PolarHBondContact O-N 3.21Å; S125-T127 PolarHBondContact OG-N 2.99Å; S125-T127 PolarHBondContact OG-OG1 2.96Å; T127-D151 VanDerWaalsContact C-OD1 3.27Å; T127-D151 VanDerWaalsContact CB-OD1 3.24Å; T127-D151 WeakPolarHBondContact CB-OD1 3.24Å; T127-D151 PolarHBondContact OG1-OD1 3Å
128Y97.4Very high88.5Confident45 Ų4562.1 Ų62.118%0.17636%0.361CS..  trans-67.2139.9178.5179.1-98.8000112F120 P122 S125 Q130 D151 E167F120-Y128 AromaticContact CE1-CD2 3.61Å; F120-Y128 HydrophobicContact CE1-CD2 3.61Å; F120-Y128 AromaticContact CE1-CE2 3.73Å; F120-Y128 HydrophobicContact CE1-CE2 3.73Å; F120-Y128 HydrophobicContact CE1-CG 4.5Å; F120-Y128 AromaticContact CZ-CD2 3.81Å; F120-Y128 HydrophobicContact CZ-CD2 3.81Å; F120-Y128 HydrophobicContact CZ-CE2 4.38Å; P122-Y128 HydrophobicContact CB-CD1 3.76Å; P122-Y128 HydrophobicContact CB-CD2 4.23Å; P122-Y128 HydrophobicContact CB-CE1 3.63Å; P122-Y128 HydrophobicContact CB-CE2 4.1Å; P122-Y128 HydrophobicContact CB-CG 4.06Å; P122-Y128 HydrophobicContact CG-CE1 4.43Å; P122-Y128 HydrophobicContact CG-CE2 4.34Å; S125-Y128 PolarHBondContact OG-N 2.78Å; Y128-Q130 HydrophobicContact CE1-CB 3.8Å; Y128-D151 WeakPolarHBondContact CA-OD2 3.34Å; Y128-D151 WeakPolarHBondContact CB-OD2 3.18Å; Y128-D151 HydrophobicContact CD2-CB 4.34Å; Y128-D151 PolarHBondContact N-OD1 3.17Å; Y128-D151 PolarHBondContact N-OD2 2.88Å; Y128-E167 VanDerWaalsContact CE2-OE1 3.29Å; Y128-E167 WeakPolarHBondContact CE2-OE1 3.45Å; Y128-E167 VanDerWaalsContact CZ-OE1 3.28Å; Y128-E167 PolarHBondContact OH-OE1 2.98Å
129S94.1Very high87.3Confident63 Ų6359.1 Ų59.144%0.44134%0.342SS..BIsolated β-bridgetrans-136.2140.6169.762.60000109.6P131 A150S129-P131 WeakPolarHBondContact O-CD 3.37Å; S129-A150 PolarHBondContact N-O 2.61Å; S129-A150 PolarHBondContact O-N 2.97Å; S129-A150 VanDerWaalsContact O-O 3.09Å; S129-A150 PolarHBondContact OG-O 3.05Å
130Q79.3Confident85.6Confident126 Ų12655.7 Ų55.759%0.58934%0.335SS*.  trans-103.899.3-177.5-168.2176.59.700110.3Y128 G132Y128-Q130 HydrophobicContact CE1-CB 3.8Å; Q130-G132 PolarHBondContact O-N 2.75Å
131P68.8Low83.7Confident65 Ų6557.4 Ų57.442%0.42235%0.346SS..  trans-68.5-21.9169.225.6-29.9000111.9S129 Q133 I148 A150S129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 2.97Å; P131-I148 VanDerWaalsContact CD-O 3.31Å; P131-I148 WeakPolarHBondContact CD-O 3.2Å; P131-I148 HydrophobicContact CG-CB 4.4Å; P131-I148 HydrophobicContact CG-CG2 3.9Å; P131-I148 VanDerWaalsContact CG-O 3.28Å; P131-I148 WeakPolarHBondContact CG-O 3.2Å; P131-A150 HydrophobicContact CG-CB 4.36Å
132G69.5Low82.1Confident43 Ų4355 Ų5544%0.44334%0.338SS..  trans76.86.6162.200000115.9Q130 I148Q130-G132 PolarHBondContact O-N 2.75Å; G132-I148 PolarHBondContact N-O 2.99Å
133Q84.2Confident81Confident95 Ų9556.1 Ų56.144%0.44435%0.347SS..  trans-73.3136.1176-175.3176.1-3.600110.5P131 I147 I148P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 2.97Å; Q133-I147 CarbonylContact O-C 3.55Å; Q133-I147 WeakPolarHBondContact O-CA 3.41Å; Q133-I148 HydrophobicContact CB-CB 4.49Å; Q133-I148 PolarHBondContact O-N 2.92Å
134S85.6Confident80.3Confident97 Ų9751.1 Ų51.168%0.67831%0.312SS*.EExtended strand (participates in β ladder)trans-74145.7171.558.20000110.9G146S134-G146 WeakPolarHBondContact CA-O 3.35Å
135F84.1Confident79.8Confident10 Ų1048.1 Ų48.14%0.04430%0.302CS..EExtended strand (participates in β ladder)trans-133.7154.217183-73.3000110.5W103 I137 L144 S145 G146 I147 I148 V194W103-F135 HydrophobicContact CB-CE2 4.45Å; W103-F135 HydrophobicContact CB-CZ 4.36Å; F135-I137 HydrophobicContact CD2-CD1 3.98Å; F135-I137 HydrophobicContact CD2-CG1 3.79Å; F135-I137 HydrophobicContact CE2-CD1 3.75Å; F135-I137 HydrophobicContact CE2-CG1 3.91Å; F135-L144 HydrophobicContact CD2-CD1 4.34Å; F135-L144 HydrophobicContact CE2-CD1 3.33Å; F135-L144 HydrophobicContact CZ-CD1 3.6Å; F135-S145 WeakPolarHBondContact O-CA 3.41Å; F135-G146 WeakPolarHBondContact CD1-O 3.19Å; F135-G146 VanDerWaalsContact CE1-CA 3.41Å; F135-G146 PolarHBondContact N-O 3Å; F135-G146 PolarHBondContact O-N 3.07Å; F135-I147 VanDerWaalsContact CD1-C 3.48Å; F135-I147 WeakPolarHBondContact CD1-O 3.37Å; F135-I147 VanDerWaalsContact CE1-O 3.28Å; F135-I147 WeakPolarHBondContact CE1-O 3.41Å; F135-I148 HydrophobicContact CB-CD1 3.67Å; F135-I148 HydrophobicContact CB-CG1 4.01Å; F135-I148 HydrophobicContact CD1-CD1 3.63Å; F135-I148 HydrophobicContact CD1-CG1 4.22Å; F135-I148 HydrophobicContact CD2-CD1 4.26Å; F135-I148 HydrophobicContact CE1-CD1 4.38Å; F135-I148 HydrophobicContact CG-CD1 3.59Å; F135-I148 HydrophobicContact CG-CG1 4.32Å; F135-V194 HydrophobicContact CB-CG1 4.36Å
136S84.3Confident79.4Confident69 Ų6947.8 Ų47.848%0.48330%0.301SS..EExtended strand (participates in β ladder)trans-143.5126.8174.7-169.30000107.7L144 V194S136-L144 CarbonylContact C-O 3.56Å; S136-L144 WeakPolarHBondContact CA-O 3.26Å; S136-L144 PolarHBondContact OG-O 3.2Å; S136-V194 WeakPolarHBondContact O-CG1 3.42Å
137I77.1Confident79.1Confident1 Ų144.9 Ų44.91%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-113.1125.7175.6-54.6176.9000106.7E68 N101 F135 Y139 S143 L144 V194E68-I137 HydrophobicContact CB-CG2 4.24Å; E68-I137 HydrophobicContact CG-CG2 3.84Å; N101-I137 HydrophobicContact CB-CD1 3.77Å; F135-I137 HydrophobicContact CD2-CD1 3.98Å; F135-I137 HydrophobicContact CD2-CG1 3.79Å; F135-I137 HydrophobicContact CE2-CD1 3.75Å; F135-I137 HydrophobicContact CE2-CG1 3.91Å; I137-Y139 HydrophobicContact CB-CE2 4.12Å; I137-Y139 HydrophobicContact CG2-CD1 4.28Å; I137-Y139 HydrophobicContact CG2-CD2 4.3Å; I137-Y139 HydrophobicContact CG2-CE1 3.79Å; I137-Y139 HydrophobicContact CG2-CE2 3.78Å; I137-Y139 VanDerWaalsContact CG2-CZ 3.49Å; I137-S143 WeakPolarHBondContact O-CA 3.39Å; I137-L144 HydrophobicContact CB-CD1 4.23Å; I137-L144 HydrophobicContact CB-CG 4.3Å; I137-L144 HydrophobicContact CD1-CD1 4.31Å; I137-L144 HydrophobicContact CG1-CD1 4.28Å; I137-L144 PolarHBondContact N-O 3.05Å; I137-L144 PolarHBondContact O-N 3.05Å; I137-V194 HydrophobicContact CG1-CB 4.34Å; I137-V194 HydrophobicContact CG1-CG2 4.14Å
138Q70.9Confident78.9Confident78 Ų7842.3 Ų42.336%0.36426%0.261SS..EExtended strand (participates in β ladder)trans-93.9125.7171.1-178.665.646.800107.6A66 N67 E68 G142 S143A66-Q138 PolarHBondContact O-N 3.08Å; N67-Q138 WeakPolarHBondContact CA-O 3.45Å; N67-Q138 WeakPolarHBondContact OD1-CB 3.44Å; N67-Q138 VanDerWaalsContact OD1-CG 3.23Å; N67-Q138 WeakPolarHBondContact OD1-CG 3.34Å; E68-Q138 PolarHBondContact N-O 3.14Å; Q138-G142 PolarHBondContact NE2-O 3.48Å; Q138-S143 VanDerWaalsContact OE1-CB 3.3Å
139Y67.6Low78.8Confident3 Ų340.1 Ų40.11%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-104.1158.6171.3-66.5-68.4000111.4E68 L70 W103 I137 T141 G142 L144 F176 I184E68-Y139 HydrophobicContact CB-CD1 3.57Å; E68-Y139 HydrophobicContact CB-CE1 3.56Å; E68-Y139 HydrophobicContact CG-CE1 4.27Å; E68-Y139 WeakPolarHBondContact O-CA 3.47Å; E68-Y139 WeakPolarHBondContact O-CD1 3.45Å; L70-Y139 HydrophobicContact CB-CD1 3.51Å; L70-Y139 HydrophobicContact CB-CE1 4.42Å; L70-Y139 HydrophobicContact CB-CG 3.74Å; L70-Y139 HydrophobicContact CD1-CD1 4.17Å; L70-Y139 HydrophobicContact CD1-CE1 4.3Å; L70-Y139 HydrophobicContact CD2-CG 4.44Å; L70-Y139 HydrophobicContact CG-CD1 4.32Å; W103-Y139 AromaticContact NE1-CZ 3.8Å; W103-Y139 PolarHBondContact NE1-OH 3.38Å; I137-Y139 HydrophobicContact CB-CE2 4.12Å; I137-Y139 HydrophobicContact CG2-CD1 4.28Å; I137-Y139 HydrophobicContact CG2-CD2 4.3Å; I137-Y139 HydrophobicContact CG2-CE1 3.79Å; I137-Y139 HydrophobicContact CG2-CE2 3.78Å; I137-Y139 VanDerWaalsContact CG2-CZ 3.49Å; Y139-T141 PolarHBondContact O-N 2.84Å; Y139-T141 VanDerWaalsContact O-N 3.11Å; Y139-G142 CarbonylContact C-O 3.58Å; Y139-G142 VanDerWaalsContact CA-O 3.23Å; Y139-G142 WeakPolarHBondContact CA-O 3.32Å; Y139-G142 WeakPolarHBondContact CB-O 3.48Å; Y139-G142 PolarHBondContact N-O 3.47Å; Y139-G142 PolarHBondContact O-N 3.25Å; Y139-L144 HydrophobicContact CE2-CD2 3.54Å; Y139-L144 HydrophobicContact CE2-CG 3.8Å; Y139-F176 AromaticContact CD2-CZ 4Å; Y139-F176 HydrophobicContact CD2-CZ 4Å; Y139-F176 HydrophobicContact CE2-CZ 4.47Å; Y139-I184 HydrophobicContact CE1-CD1 4.24Å
140G60.6Low78.9Confident20 Ų2037.6 Ų37.621%0.20624%0.235CC..THydrogen-bonded Turntrans-54.6-31.9179.500000114.7E58 E68E58-G140 WeakPolarHBondContact OE1-CA 3.41Å; E68-G140 PolarHBondContact O-N 3.44Å
141T56.6Low79.8Confident37 Ų3731.7 Ų31.723%0.22721%0.208CC..THydrogen-bonded Turntrans-1144.8-178.856.20000114.7F56 L70 Y73 Y139F56-T141 HydrophobicContact CE2-CG2 4.34Å; F56-T141 HydrophobicContact CZ-CG2 4.17Å; L70-T141 PolarHBondContact O-OG1 3.39Å; L70-T141 VanDerWaalsContact O-OG1 3.1Å; Y73-T141 HydrophobicContact CE1-CG2 4.39Å; Y73-T141 WeakPolarHBondContact CE1-OG1 3.38Å; Y139-T141 PolarHBondContact O-N 2.84Å; Y139-T141 VanDerWaalsContact O-N 3.11Å
142G63.4Low81.2Confident15 Ų1530.6 Ų30.616%0.15520%0.197CC..EExtended strand (participates in β ladder)trans-178.8-177.8-176.100000112.5Q138 Y139Q138-G142 PolarHBondContact NE2-O 3.48Å; Y139-G142 CarbonylContact C-O 3.58Å; Y139-G142 VanDerWaalsContact CA-O 3.23Å; Y139-G142 WeakPolarHBondContact CA-O 3.32Å; Y139-G142 WeakPolarHBondContact CB-O 3.48Å; Y139-G142 PolarHBondContact N-O 3.47Å; Y139-G142 PolarHBondContact O-N 3.25Å
143S72.2Confident82.6Confident36 Ų3628.6 Ų28.625%0.25218%0.176SC..EExtended strand (participates in β ladder)trans-136.1158.4171.361.20000109.3I137 Q138 P172I137-S143 WeakPolarHBondContact O-CA 3.39Å; Q138-S143 VanDerWaalsContact OE1-CB 3.3Å; S143-P172 WeakPolarHBondContact O-CD 3.24Å; S143-P172 VanDerWaalsContact O-CG 3.26Å; S143-P172 WeakPolarHBondContact O-CG 3.37Å
144L79.9Confident83.3Confident0 Ų024.9 Ų24.90%016%0.161CC..EExtended strand (participates in β ladder)trans-130.1150.2165.269.978.2000109.8W103 F135 S136 I137 Y139 T170 E171W103-L144 HydrophobicContact CD2-CD2 3.43Å; W103-L144 VanDerWaalsContact CD2-CD2 3.43Å; W103-L144 VanDerWaalsContact CE2-CD2 3.41Å; W103-L144 HydrophobicContact CE3-CD2 3.63Å; W103-L144 HydrophobicContact CG-CD2 4.04Å; W103-L144 HydrophobicContact CH2-CD2 3.8Å; W103-L144 HydrophobicContact CZ2-CD2 3.59Å; W103-L144 HydrophobicContact CZ3-CD2 3.82Å; F135-L144 HydrophobicContact CD2-CD1 4.34Å; F135-L144 HydrophobicContact CE2-CD1 3.33Å; F135-L144 HydrophobicContact CZ-CD1 3.6Å; S136-L144 CarbonylContact C-O 3.56Å; S136-L144 WeakPolarHBondContact CA-O 3.26Å; S136-L144 PolarHBondContact OG-O 3.2Å; I137-L144 HydrophobicContact CB-CD1 4.23Å; I137-L144 HydrophobicContact CB-CG 4.3Å; I137-L144 HydrophobicContact CD1-CD1 4.31Å; I137-L144 HydrophobicContact CG1-CD1 4.28Å; I137-L144 PolarHBondContact N-O 3.05Å; I137-L144 PolarHBondContact O-N 3.05Å; Y139-L144 HydrophobicContact CE2-CD2 3.54Å; Y139-L144 HydrophobicContact CE2-CG 3.8Å; L144-T170 VanDerWaalsContact CA-O 3.3Å; L144-T170 WeakPolarHBondContact CA-O 3.44Å; L144-T170 WeakPolarHBondContact CB-O 3.4Å; L144-E171 HydrophobicContact CB-CG 4.24Å
145S87.7Confident83.8Confident39 Ų3920.3 Ų20.327%0.27313%0.129SC..EExtended strand (participates in β ladder)trans-136.9153.7175.485.60000110F135 V169 T170F135-S145 WeakPolarHBondContact O-CA 3.41Å; S145-V169 PolarHBondContact O-N 2.91Å; S145-T170 WeakPolarHBondContact CB-OG1 3.43Å; S145-T170 PolarHBondContact N-O 3.45Å; S145-T170 VanDerWaalsContact N-O 3.09Å; S145-T170 PolarHBondContact N-OG1 3.4Å; S145-T170 PolarHBondContact O-N 2.78Å; S145-T170 VanDerWaalsContact O-N 3.09Å; S145-T170 PolarHBondContact OG-OG1 3.03Å
146G89.6Confident83.9Confident6 Ų624.4 Ų24.46%0.06215%0.148CC..EExtended strand (participates in β ladder)trans-177.7-160.7-171.400000113.6S134 F135 E167S134-G146 WeakPolarHBondContact CA-O 3.35Å; F135-G146 WeakPolarHBondContact CD1-O 3.19Å; F135-G146 VanDerWaalsContact CE1-CA 3.41Å; F135-G146 PolarHBondContact N-O 3Å; F135-G146 PolarHBondContact O-N 3.07Å; G146-E167 WeakPolarHBondContact CA-O 3.41Å
147I91.6Very high84.2Confident40 Ų4024.6 Ų24.621%0.20516%0.161CC..EExtended strand (participates in β ladder)trans-119.5150.4176.260.4174.5000110.3Q133 F135 E167Q133-I147 CarbonylContact O-C 3.55Å; Q133-I147 WeakPolarHBondContact O-CA 3.41Å; F135-I147 VanDerWaalsContact CD1-C 3.48Å; F135-I147 WeakPolarHBondContact CD1-O 3.37Å; F135-I147 VanDerWaalsContact CE1-O 3.28Å; F135-I147 WeakPolarHBondContact CE1-O 3.41Å; I147-E167 HydrophobicContact CG1-CB 3.87Å; I147-E167 PolarHBondContact N-O 3Å; I147-E167 VanDerWaalsContact N-O 3.08Å; I147-E167 PolarHBondContact O-N 2.84Å
148I93.5Very high85Confident0 Ų025 Ų250%016%0.163CC..EExtended strand (participates in β ladder)trans-82.9121.8170.2-58.5-59000108.3P131 G132 Q133 F135 Q164 F165 V197P131-I148 VanDerWaalsContact CD-O 3.31Å; P131-I148 WeakPolarHBondContact CD-O 3.2Å; P131-I148 HydrophobicContact CG-CB 4.4Å; P131-I148 HydrophobicContact CG-CG2 3.9Å; P131-I148 VanDerWaalsContact CG-O 3.28Å; P131-I148 WeakPolarHBondContact CG-O 3.2Å; G132-I148 PolarHBondContact N-O 2.99Å; Q133-I148 HydrophobicContact CB-CB 4.49Å; Q133-I148 PolarHBondContact O-N 2.92Å; F135-I148 HydrophobicContact CB-CD1 3.67Å; F135-I148 HydrophobicContact CB-CG1 4.01Å; F135-I148 HydrophobicContact CD1-CD1 3.63Å; F135-I148 HydrophobicContact CD1-CG1 4.22Å; F135-I148 HydrophobicContact CD2-CD1 4.26Å; F135-I148 HydrophobicContact CE1-CD1 4.38Å; F135-I148 HydrophobicContact CG-CD1 3.59Å; F135-I148 HydrophobicContact CG-CG1 4.32Å; I148-Q164 HydrophobicContact CG2-CB 4.03Å; I148-Q164 HydrophobicContact CG2-CG 4.42Å; I148-F165 WeakPolarHBondContact CA-O 3.5Å; I148-V197 HydrophobicContact CD1-CG1 4.06Å; I148-V197 HydrophobicContact CG1-CG1 4.24Å; I148-V197 HydrophobicContact CG2-CG1 4.04Å
149G94.4Very high86.3Confident0 Ų023.8 Ų23.80%016%0.161CC..EExtended strand (participates in β ladder)trans-99.5166.9165.500000110.5Q164 F165G149-Q164 CarbonylContact O-C 3.59Å; G149-Q164 VanDerWaalsContact O-CA 3.3Å; G149-Q164 WeakPolarHBondContact O-CA 3.36Å; G149-F165 PolarHBondContact N-O 2.84Å; G149-F165 PolarHBondContact O-N 3.44Å
150A97.1Very high87.8Confident9 Ų923.6 Ų23.67%0.07416%0.16CC..EExtended strand (participates in β ladder)trans-138.1130.6167.100000110.5S129 P131 Q163 Q164S129-A150 PolarHBondContact N-O 2.61Å; S129-A150 PolarHBondContact O-N 2.97Å; S129-A150 VanDerWaalsContact O-O 3.09Å; S129-A150 PolarHBondContact OG-O 3.05Å; P131-A150 HydrophobicContact CG-CB 4.36Å; A150-Q163 VanDerWaalsContact CA-O 3.29Å; A150-Q163 WeakPolarHBondContact CA-O 3.26Å; A150-Q164 HydrophobicContact CB-CG 4.19Å
151D98.2Very high89.6Confident2 Ų226.8 Ų26.81%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-153.5179.8-179.4-150.9-28.6000110.1I84 G85 S125 T127 Y128 G162 Q163 F165I84-D151 HydrophobicContact CG2-CB 3.96Å; G85-D151 VanDerWaalsContact CA-CG 3.48Å; G85-D151 WeakPolarHBondContact CA-OD1 3.44Å; G85-D151 VanDerWaalsContact CA-OD2 3.27Å; G85-D151 WeakPolarHBondContact CA-OD2 3.49Å; S125-D151 WeakPolarHBondContact CB-OD2 3.27Å; S125-D151 PolarHBondContact OG-OD1 3.22Å; S125-D151 PolarHBondContact OG-OD2 3.39Å; T127-D151 VanDerWaalsContact C-OD1 3.27Å; T127-D151 VanDerWaalsContact CB-OD1 3.24Å; T127-D151 WeakPolarHBondContact CB-OD1 3.24Å; T127-D151 PolarHBondContact OG1-OD1 3Å; Y128-D151 WeakPolarHBondContact CA-OD2 3.34Å; Y128-D151 WeakPolarHBondContact CB-OD2 3.18Å; Y128-D151 HydrophobicContact CD2-CB 4.34Å; Y128-D151 PolarHBondContact N-OD1 3.17Å; Y128-D151 PolarHBondContact N-OD2 2.88Å; D151-G162 CarbonylContact O-C 3.58Å; D151-G162 PolarHBondContact O-N 3.37Å; D151-Q163 PolarHBondContact N-O 3.03Å; D151-Q163 PolarHBondContact O-N 3.24Å; D151-F165 HydrophobicContact CB-CE1 3.84Å
152Q97.8Very high91.5Very high42 Ų4227.5 Ų27.520%0.19619%0.19CC..EExtended strand (participates in β ladder)trans-74.9135.4165.463.8176.768.600110.6I84 G85 T159 V160I84-Q152 WeakPolarHBondContact CA-O 3.33Å; G85-Q152 PolarHBondContact N-O 3.34Å; G85-Q152 PolarHBondContact O-NE2 3.49Å; Q152-T159 HydrophobicContact CB-CG2 4.09Å; Q152-V160 CarbonylContact C-O 3.56Å; Q152-V160 VanDerWaalsContact CA-O 3.28Å; Q152-V160 WeakPolarHBondContact CA-O 3.21Å
153V98.6Very high93.1Very high1 Ų126.8 Ų26.81%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-117.9128.2173.7174.50000108I82 S83 I84 L102 V155 V160 Q163I82-V153 HydrophobicContact CD1-CG1 4.48Å; S83-V153 CarbonylContact O-C 3.46Å; S83-V153 WeakPolarHBondContact O-CA 3.33Å; I84-V153 HydrophobicContact CD1-CG2 4.42Å; I84-V153 HydrophobicContact CG1-CG2 4.13Å; I84-V153 HydrophobicContact CG2-CG2 4.24Å; L102-V153 HydrophobicContact CD2-CG1 4.09Å; L102-V153 HydrophobicContact CD2-CG2 3.77Å; V153-V155 HydrophobicContact CG1-CG2 4.48Å; V153-V160 PolarHBondContact N-O 2.92Å; V153-V160 PolarHBondContact O-N 3.17Å; V153-Q163 HydrophobicContact CB-CB 4.1Å; V153-Q163 HydrophobicContact CB-CG 4.17Å; V153-Q163 HydrophobicContact CG2-CB 3.69Å; V153-Q163 HydrophobicContact CG2-CG 3.65Å
154S98Very high94.3Very high17 Ų1727.9 Ų27.912%0.11918%0.184CC..EExtended strand (participates in β ladder)trans-117.2133.8178-52.30000112.5I82 S83 L158 T159I82-S154 WeakPolarHBondContact CA-O 3.31Å; S83-S154 PolarHBondContact N-O 3.29Å; S83-S154 PolarHBondContact O-N 3.12Å; S83-S154 WeakPolarHBondContact OG-CB 3.39Å; S154-L158 CarbonylContact C-O 3.53Å; S154-L158 WeakPolarHBondContact CA-O 3.35Å; S154-T159 PolarHBondContact OG-OG1 2.82Å
155V95.7Very high95.1Very high2 Ų227.9 Ų27.91%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-134.8114.5176.7178.90000108.4V24 I82 F95 V153 G157 L158 L185 M204 F233V24-V155 HydrophobicContact CG1-CG1 4.3Å; V24-V155 HydrophobicContact CG2-CG1 3.47Å; V24-V155 VanDerWaalsContact CG2-CG1 3.47Å; I82-V155 HydrophobicContact CB-CG2 3.9Å; I82-V155 HydrophobicContact CG2-CG2 3.42Å; I82-V155 VanDerWaalsContact CG2-CG2 3.42Å; F95-V155 HydrophobicContact CE1-CG1 4.35Å; F95-V155 HydrophobicContact CZ-CG1 4.09Å; V153-V155 HydrophobicContact CG1-CG2 4.48Å; V155-G157 VanDerWaalsContact C-N 3.31Å; V155-G157 PolarHBondContact O-N 2.81Å; V155-L158 PolarHBondContact N-O 3.07Å; V155-L158 VanDerWaalsContact O-CB 3.28Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 3.17Å; V155-L185 HydrophobicContact CG2-CD1 4.27Å; V155-M204 HydrophobicContact CB-CE 4.28Å; V155-F233 HydrophobicContact CG1-CE2 3.94Å
156E88Confident95.4Very high95 Ų9526 Ų2644%0.44417%0.171SC..THydrogen-bonded Turntrans45.150.6178.8-67.8-63150.900114.9R23 V24 P25 L158R23-E156 WeakPolarHBondContact O-CG 3.36Å; V24-E156 HydrophobicContact CB-CG 4.15Å; V24-E156 HydrophobicContact CG1-CG 4.31Å; V24-E156 HydrophobicContact CG2-CB 4.28Å; V24-E156 HydrophobicContact CG2-CG 3.85Å; P25-E156 VanDerWaalsContact CD-OE1 3.29Å; P25-E156 WeakPolarHBondContact CD-OE1 3.44Å; E156-L158 PolarHBondContact O-N 2.81Å
157G88.7Confident95.6Very high73 Ų7325.8 Ų25.875%0.75317%0.168SC*.THydrogen-bonded Turntrans80.2-8.9178.900000115.1V155V155-G157 VanDerWaalsContact C-N 3.31Å; V155-G157 PolarHBondContact O-N 2.81Å
158L95.4Very high95.6Very high9 Ų923.9 Ų23.95%0.04716%0.158CC..EExtended strand (participates in β ladder)trans-81.2113.5168.2-62.3-179.1000109.6H22 S154 V155 E156 M204 L209 V210 F233H22-L158 HydrophobicContact CB-CD1 3.75Å; H22-L158 HydrophobicContact CB-CG 4.1Å; H22-L158 WeakPolarHBondContact CE1-CD2 3.42Å; H22-L158 WeakPolarHBondContact ND1-CD2 3.45Å; S154-L158 CarbonylContact C-O 3.53Å; S154-L158 WeakPolarHBondContact CA-O 3.35Å; V155-L158 PolarHBondContact N-O 3.07Å; V155-L158 VanDerWaalsContact O-CB 3.28Å; V155-L158 WeakPolarHBondContact O-CB 3.42Å; V155-L158 PolarHBondContact O-N 3.17Å; E156-L158 PolarHBondContact O-N 2.81Å; L158-M204 HydrophobicContact CB-CE 4.21Å; L158-M204 HydrophobicContact CD1-CE 4.06Å; L158-M204 HydrophobicContact CD1-SD 4.17Å; L158-L209 HydrophobicContact CD2-CB 4.28Å; L158-L209 WeakPolarHBondContact CD2-O 3.47Å; L158-V210 HydrophobicContact CD1-CG1 4.08Å; L158-F233 HydrophobicContact CD1-CB 3.95Å; L158-F233 HydrophobicContact CD1-CD2 4.25Å; L158-F233 HydrophobicContact CD1-CG 4.38Å
159T98.1Very high95.4Very high53 Ų5325.7 Ų25.733%0.32517%0.17SC..EExtended strand (participates in β ladder)trans-104.5107.6175.8-610000110.4Q152 S154 V161 L209Q152-T159 HydrophobicContact CB-CG2 4.09Å; S154-T159 PolarHBondContact OG-OG1 2.82Å; T159-V161 HydrophobicContact CG2-CG1 4.44Å; T159-L209 VanDerWaalsContact O-CD1 3.32Å; T159-L209 WeakPolarHBondContact O-CD1 3.31Å
160V98.4Very high94.9Very high0 Ų028 Ų280%018%0.184CC..EExtended strand (participates in β ladder)trans-85114.6173-173.70000108.7Q152 V153 Q163 V200 N203 M204 L209Q152-V160 CarbonylContact C-O 3.56Å; Q152-V160 VanDerWaalsContact CA-O 3.28Å; Q152-V160 WeakPolarHBondContact CA-O 3.21Å; V153-V160 PolarHBondContact N-O 2.92Å; V153-V160 PolarHBondContact O-N 3.17Å; V160-Q163 HydrophobicContact CG1-CB 4.08Å; V160-V200 HydrophobicContact CG2-CG1 4.13Å; V160-N203 HydrophobicContact CG1-CB 3.4Å; V160-N203 VanDerWaalsContact CG1-CB 3.4Å; V160-M204 HydrophobicContact CG2-CE 3.93Å; V160-M204 HydrophobicContact CG2-CG 3.42Å; V160-M204 VanDerWaalsContact CG2-CG 3.42Å; V160-L209 HydrophobicContact CB-CD1 4.45Å; V160-L209 HydrophobicContact CG2-CD1 3.94Å
161V98.1Very high94.2Very high86 Ų8627.8 Ų27.852%0.52118%0.181SC..EExtended strand (participates in β ladder)trans-86145.4178.7-62.50000111.4T159 Q163 Q207T159-V161 HydrophobicContact CG2-CG1 4.44Å; V161-Q163 PolarHBondContact O-N 3.05Å; V161-Q207 PolarHBondContact O-NE2 3.1Å
162G96.5Very high92.7Very high52 Ų5230.5 Ų30.554%0.53620%0.199SC..EExtended strand (participates in β ladder)trans64.525.917600000114.2D151 Q164D151-G162 CarbonylContact O-C 3.58Å; D151-G162 PolarHBondContact O-N 3.37Å; G162-Q164 PolarHBondContact O-N 2.65Å
163Q98.1Very high91.3Very high1 Ų130.3 Ų30.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-67.8122.5177.3177.357.251.300109.7L102 A150 D151 V153 V160 V161 T198 V200 N203L102-Q163 HydrophobicContact CD2-CG 4.21Å; A150-Q163 VanDerWaalsContact CA-O 3.29Å; A150-Q163 WeakPolarHBondContact CA-O 3.26Å; D151-Q163 PolarHBondContact N-O 3.03Å; D151-Q163 PolarHBondContact O-N 3.24Å; V153-Q163 HydrophobicContact CB-CB 4.1Å; V153-Q163 HydrophobicContact CB-CG 4.17Å; V153-Q163 HydrophobicContact CG2-CB 3.69Å; V153-Q163 HydrophobicContact CG2-CG 3.65Å; V160-Q163 HydrophobicContact CG1-CB 4.08Å; V161-Q163 PolarHBondContact O-N 3.05Å; Q163-T198 PolarHBondContact NE2-O 2.76Å; Q163-V200 HydrophobicContact CG-CG2 4.08Å; Q163-N203 PolarHBondContact OE1-ND2 3.44Å
164Q96.6Very high89.8Confident58 Ų5833.9 Ų33.927%0.27123%0.225SC..EExtended strand (participates in β ladder)trans-76.6135.6171.1-67.8178.2-50.500110.3I148 G149 A150 G162 V197I148-Q164 HydrophobicContact CG2-CB 4.03Å; I148-Q164 HydrophobicContact CG2-CG 4.42Å; G149-Q164 CarbonylContact O-C 3.59Å; G149-Q164 VanDerWaalsContact O-CA 3.3Å; G149-Q164 WeakPolarHBondContact O-CA 3.36Å; A150-Q164 HydrophobicContact CB-CG 4.19Å; G162-Q164 PolarHBondContact O-N 2.65Å; Q164-V197 HydrophobicContact CB-CB 4.05Å; Q164-V197 HydrophobicContact CB-CG1 4.04Å
165F96.4Very high88.3Confident1 Ų133.4 Ų33.40%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-147.8157177.568.1-79000111.3I84 L102 V104 F120 I148 G149 D151 E167I84-F165 HydrophobicContact CD1-CD2 4.12Å; I84-F165 HydrophobicContact CD1-CE2 4.14Å; I84-F165 HydrophobicContact CD1-CG 4.46Å; I84-F165 HydrophobicContact CG2-CD1 4.42Å; I84-F165 HydrophobicContact CG2-CE1 3.77Å; I84-F165 HydrophobicContact CG2-CE2 4.33Å; I84-F165 HydrophobicContact CG2-CZ 3.72Å; L102-F165 HydrophobicContact CB-CB 4.07Å; L102-F165 HydrophobicContact CD2-CB 3.8Å; L102-F165 HydrophobicContact CG-CB 3.72Å; L102-F165 CarbonylContact O-C 3.45Å; L102-F165 WeakPolarHBondContact O-CA 3.06Å; L102-F165 WeakPolarHBondContact O-CB 3.28Å; V104-F165 HydrophobicContact CG2-CD2 3.98Å; V104-F165 HydrophobicContact CG2-CE2 3.82Å; F120-F165 HydrophobicContact CD1-CE2 4.03Å; F120-F165 AromaticContact CD1-CZ 3.84Å; F120-F165 HydrophobicContact CD1-CZ 3.84Å; F120-F165 HydrophobicContact CD2-CZ 4.47Å; F120-F165 HydrophobicContact CE1-CE2 4.3Å; F120-F165 AromaticContact CE1-CZ 3.64Å; F120-F165 HydrophobicContact CE1-CZ 3.64Å; F120-F165 HydrophobicContact CE2-CZ 4.3Å; F120-F165 HydrophobicContact CG-CE2 4.25Å; F120-F165 HydrophobicContact CG-CZ 4.26Å; F120-F165 AromaticContact CZ-CZ 3.89Å; F120-F165 HydrophobicContact CZ-CZ 3.89Å; I148-F165 WeakPolarHBondContact CA-O 3.5Å; G149-F165 PolarHBondContact N-O 2.84Å; G149-F165 PolarHBondContact O-N 3.44Å; D151-F165 HydrophobicContact CB-CE1 3.84Å; F165-E167 HydrophobicContact CD2-CG 4.32Å; F165-E167 HydrophobicContact CE2-CG 3.66Å; F165-E167 HydrophobicContact CZ-CG 4.19Å
166G94.8Very high87.1Confident0 Ų033.5 Ų33.50%022%0.222CC..EExtended strand (participates in β ladder)trans-78.9124.2175.100000112.1L102 W103 V104L102-G166 PolarHBondContact O-N 3.42Å; W103-G166 CarbonylContact C-O 3.53Å; W103-G166 WeakPolarHBondContact CA-O 3.4Å; W103-G166 WeakPolarHBondContact CB-O 3.45Å; V104-G166 PolarHBondContact N-O 2.75Å
167E93.9Very high86.4Confident0 Ų030.6 Ų30.60%021%0.21CC..EExtended strand (participates in β ladder)trans-94.599.6164.3-69.5-175.8-107.900108.3S106 F120 P122 Y128 G146 I147 F165 V169S106-E167 PolarHBondContact OG-OE2 2.81Å; F120-E167 HydrophobicContact CD1-CG 4.19Å; P122-E167 WeakPolarHBondContact CG-OE2 3.44Å; Y128-E167 VanDerWaalsContact CE2-OE1 3.29Å; Y128-E167 WeakPolarHBondContact CE2-OE1 3.45Å; Y128-E167 VanDerWaalsContact CZ-OE1 3.28Å; Y128-E167 PolarHBondContact OH-OE1 2.98Å; G146-E167 WeakPolarHBondContact CA-O 3.41Å; I147-E167 HydrophobicContact CG1-CB 3.87Å; I147-E167 PolarHBondContact N-O 3Å; I147-E167 VanDerWaalsContact N-O 3.08Å; I147-E167 PolarHBondContact O-N 2.84Å; F165-E167 HydrophobicContact CD2-CG 4.32Å; F165-E167 HydrophobicContact CE2-CG 3.66Å; F165-E167 HydrophobicContact CZ-CG 4.19Å; E167-V169 PolarHBondContact O-N 2.96Å
168S92.1Very high85.6Confident0 Ų029.6 Ų29.60%019%0.188CC..EExtended strand (participates in β ladder)trans-68.8131.9179.450.80000110.3V104 P105 S106 C109 E171V104-S168 PolarHBondContact O-N 2.77Å; V104-S168 PolarHBondContact O-OG 3.32Å; P105-S168 VanDerWaalsContact CA-OG 3.23Å; P105-S168 WeakPolarHBondContact CA-OG 3.45Å; S106-S168 WeakPolarHBondContact CB-O 3.35Å; S106-S168 PolarHBondContact N-O 2.79Å; C109-S168 WeakPolarHBondContact CB-O 3.36Å; S168-E171 WeakPolarHBondContact CB-OE1 3.14Å; S168-E171 PolarHBondContact OG-OE1 3.04Å
169V89.1Confident84.7Confident39 Ų3929.8 Ų29.824%0.23619%0.191CC..EExtended strand (participates in β ladder)trans-113.9-20.1176.6-54.60000112C109 T110 S145 E167C109-V169 VanDerWaalsContact CA-O 3.31Å; C109-V169 WeakPolarHBondContact CA-O 3.13Å; C109-V169 PolarHBondContact SG-O 3.32Å; T110-V169 PolarHBondContact N-O 2.85Å; S145-V169 PolarHBondContact O-N 2.91Å; E167-V169 PolarHBondContact O-N 2.96Å
170T84Confident83.9Confident48 Ų4830.6 Ų30.629%0.29419%0.191SC..EExtended strand (participates in β ladder)trans-132125.1169.863.50000109.8L144 S145 P172L144-T170 VanDerWaalsContact CA-O 3.3Å; L144-T170 WeakPolarHBondContact CA-O 3.44Å; L144-T170 WeakPolarHBondContact CB-O 3.4Å; S145-T170 WeakPolarHBondContact CB-OG1 3.43Å; S145-T170 PolarHBondContact N-O 3.45Å; S145-T170 VanDerWaalsContact N-O 3.09Å; S145-T170 PolarHBondContact N-OG1 3.4Å; S145-T170 PolarHBondContact O-N 2.78Å; S145-T170 VanDerWaalsContact O-N 3.09Å; S145-T170 PolarHBondContact OG-OG1 3.03Å; T170-P172 VanDerWaalsContact C-CD 3.49Å
171E81.4Confident83.4Confident4 Ų430.9 Ų30.92%0.01919%0.192CC..  trans-125.878.1170.5-70.2172.1-163.900107.9S111 A113 C114 L144 S168 F176S111-E171 VanDerWaalsContact CB-O 3.26Å; S111-E171 WeakPolarHBondContact CB-O 3.16Å; S111-E171 VanDerWaalsContact OG-C 3.29Å; S111-E171 PolarHBondContact OG-N 3.27Å; S111-E171 PolarHBondContact OG-O 2.91Å; A113-E171 HydrophobicContact CB-CB 4.16Å; C114-E171 VanDerWaalsContact SG-CD 3.51Å; C114-E171 PolarHBondContact SG-OE2 3.08Å; L144-E171 HydrophobicContact CB-CG 4.24Å; S168-E171 WeakPolarHBondContact CB-OE1 3.14Å; S168-E171 PolarHBondContact OG-OE1 3.04Å; E171-F176 HydrophobicContact CB-CB 4.13Å; E171-F176 HydrophobicContact CB-CD2 4.09Å; E171-F176 HydrophobicContact CB-CG 4.09Å
172P67.5Low83Confident59 Ų5927.4 Ų27.438%0.38317%0.171SC..  trans-67137.2174.627-36.9000111.4S143 T170 F176S143-P172 WeakPolarHBondContact O-CD 3.24Å; S143-P172 VanDerWaalsContact O-CG 3.26Å; S143-P172 WeakPolarHBondContact O-CG 3.37Å; T170-P172 VanDerWaalsContact C-CD 3.49Å; P172-F176 WeakPolarHBondContact O-CD2 3.29Å; P172-F176 WeakPolarHBondContact O-CE2 3.48Å
173G67.7Low82.8Confident39 Ų3925 Ų2540%0.40215%0.145SC..SBendtrans119.7146.3171.900000113.5T175 F176G173-T175 PolarHBondContact O-N 3.46Å; G173-F176 PolarHBondContact O-N 3.49Å
174Q67.9Low82.6Confident76 Ų7624.9 Ų24.936%0.35515%0.145SC..Hα-helixtrans-66.8-27.7177.2-170.45940.400111.5F176 V177 D178Q174-F176 VanDerWaalsContact C-N 3.3Å; Q174-F176 PolarHBondContact O-N 2.91Å; Q174-V177 WeakPolarHBondContact O-CB 3.44Å; Q174-V177 PolarHBondContact O-N 3.49Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.18Å; Q174-D178 VanDerWaalsContact NE2-CG 3.3Å; Q174-D178 PolarHBondContact NE2-OD1 3Å; Q174-D178 PolarHBondContact NE2-OD2 3.17Å; Q174-D178 PolarHBondContact O-N 3.41Å
175T66.6Low82.6Confident7 Ų722.1 Ų22.14%0.04313%0.132CC..Hα-helixtrans-38.3-53.7168.8-59.30000114.2L70 Y73 G173 A179L70-T175 HydrophobicContact CD2-CG2 4.33Å; Y73-T175 HydrophobicContact CD1-CG2 3.59Å; Y73-T175 HydrophobicContact CD2-CG2 3.76Å; Y73-T175 HydrophobicContact CE1-CG2 3.24Å; Y73-T175 HydrophobicContact CE2-CG2 3.42Å; Y73-T175 VanDerWaalsContact CE2-CG2 3.42Å; Y73-T175 HydrophobicContact CG-CG2 3.85Å; Y73-T175 VanDerWaalsContact CZ-CB 3.48Å; Y73-T175 WeakPolarHBondContact OH-CA 3.41Å; Y73-T175 WeakPolarHBondContact OH-CB 3.49Å; Y73-T175 PolarHBondContact OH-OG1 3.16Å; G173-T175 PolarHBondContact O-N 3.46Å; T175-A179 PolarHBondContact O-N 2.76Å
176F70.4Confident82.6Confident3 Ų322.1 Ų22.11%0.01313%0.132CC..Hα-helixtrans-80-19.5-176.5-60.9-73.4000112.9L70 W103 A113 H117 Y139 E171 P172 G173 Q174L70-F176 HydrophobicContact CD2-CE1 4.48Å; W103-F176 HydrophobicContact CH2-CD1 4.34Å; W103-F176 HydrophobicContact CH2-CE1 4.17Å; W103-F176 HydrophobicContact CZ2-CE1 4.42Å; A113-F176 VanDerWaalsContact CB-C 3.45Å; A113-F176 HydrophobicContact CB-CB 3.48Å; A113-F176 VanDerWaalsContact CB-CB 3.48Å; A113-F176 WeakPolarHBondContact CB-O 3.45Å; H117-F176 PolarHBondContact NE2-O 2.84Å; H117-F176 VanDerWaalsContact NE2-O 3.16Å; Y139-F176 AromaticContact CD2-CZ 4Å; Y139-F176 HydrophobicContact CD2-CZ 4Å; Y139-F176 HydrophobicContact CE2-CZ 4.47Å; E171-F176 HydrophobicContact CB-CB 4.13Å; E171-F176 HydrophobicContact CB-CD2 4.09Å; E171-F176 HydrophobicContact CB-CG 4.09Å; P172-F176 WeakPolarHBondContact O-CD2 3.29Å; P172-F176 WeakPolarHBondContact O-CE2 3.48Å; G173-F176 PolarHBondContact O-N 3.49Å; Q174-F176 VanDerWaalsContact C-N 3.3Å; Q174-F176 PolarHBondContact O-N 2.91Å
177V73.3Confident82.7Confident34 Ų3422.1 Ų22.121%0.20613%0.132CC..Hα-helixtrans-73.1-38.5177.2178.60000111.2P112 A113 Q174P112-V177 HydrophobicContact CB-CG2 4.08Å; A113-V177 HydrophobicContact CB-CG2 3.92Å; Q174-V177 WeakPolarHBondContact O-CB 3.44Å; Q174-V177 PolarHBondContact O-N 3.49Å
178D71.9Confident82.8Confident52 Ų5222.2 Ų22.228%0.27813%0.133SC..SBendtrans-95.3-2.2-174.4-61.5-31000112.6L32 Q174L32-D178 HydrophobicContact CD1-CB 3.72Å; L32-D178 HydrophobicContact CD2-CB 3.25Å; L32-D178 HydrophobicContact CG-CB 4.13Å; Q174-D178 WeakPolarHBondContact CG-OD2 3.18Å; Q174-D178 VanDerWaalsContact NE2-CG 3.3Å; Q174-D178 PolarHBondContact NE2-OD1 3Å; Q174-D178 PolarHBondContact NE2-OD2 3.17Å; Q174-D178 PolarHBondContact O-N 3.41Å
179A76.8Confident83Confident14 Ų1422.4 Ų22.412%0.11613%0.133CC..  trans-61.2149.9177.400000111.4H117 T175 F181H117-A179 PolarHBondContact CE1-O 3.25Å; H117-A179 PolarHBondContact NE2-O 3.22Å; T175-A179 PolarHBondContact O-N 2.76Å; A179-F181 HydrophobicContact CB-CD1 3.94Å; A179-F181 HydrophobicContact CB-CE1 3.69Å; A179-F181 HydrophobicContact CB-CZ 4.05Å
180E80.9Confident83.3Confident70 Ų7023 Ų2333%0.32714%0.138SC..SBendtrans-101.1-0.3177.3-58.1-125.6118.800112.8H29 K35 F79H29-E180 WeakPolarHBondContact CB-OE2 3.21Å; K35-E180 IonicContact NZ-OE1 3.39Å; K35-E180 PolarHBondContact NZ-OE1 2.89Å; K35-E180 IonicContact NZ-OE2 2.73Å; K35-E180 PolarHBondContact NZ-OE2 3.46Å; F79-E180 HydrophobicContact CE2-CB 4.47Å; F79-E180 HydrophobicContact CZ-CB 4.23Å
181F86.6Confident83.7Confident6 Ų624.8 Ų24.83%0.02615%0.153CC..  trans-113.6147.717960.8-87.4000109.3F79 I94 W103 H117 A179 G183 I184F79-F181 HydrophobicContact CD1-CB 3.74Å; F79-F181 HydrophobicContact CD1-CD1 4.48Å; F79-F181 HydrophobicContact CD1-CG 4.5Å; F79-F181 HydrophobicContact CE1-CB 3.84Å; F79-F181 AromaticContact CE1-CD1 3.75Å; F79-F181 HydrophobicContact CE1-CD1 3.75Å; F79-F181 HydrophobicContact CE1-CG 4.2Å; I94-F181 HydrophobicContact CD1-CD1 3.54Å; I94-F181 HydrophobicContact CD1-CD2 4.15Å; I94-F181 HydrophobicContact CD1-CE1 3.49Å; I94-F181 VanDerWaalsContact CD1-CE1 3.49Å; I94-F181 HydrophobicContact CD1-CE2 4.1Å; I94-F181 HydrophobicContact CD1-CG 3.87Å; I94-F181 HydrophobicContact CD1-CZ 3.78Å; I94-F181 HydrophobicContact CG1-CB 4.23Å; I94-F181 HydrophobicContact CG1-CD1 3.99Å; I94-F181 HydrophobicContact CG1-CD2 4.34Å; I94-F181 HydrophobicContact CG1-CE1 4.42Å; I94-F181 HydrophobicContact CG1-CG 3.93Å; W103-F181 HydrophobicContact CH2-CE2 4.25Å; W103-F181 HydrophobicContact CZ2-CE2 4.34Å; H117-F181 PolarHBondContact CE1-O 2.94Å; H117-F181 PolarHBondContact ND1-O 2.92Å; H117-F181 VanDerWaalsContact ND1-O 3.16Å; A179-F181 HydrophobicContact CB-CD1 3.94Å; A179-F181 HydrophobicContact CB-CE1 3.69Å; A179-F181 HydrophobicContact CB-CZ 4.05Å; F181-G183 VanDerWaalsContact CD2-O 3.25Å; F181-G183 WeakPolarHBondContact CD2-O 3.06Å; F181-I184 HydrophobicContact CD2-CG1 4.44Å; F181-I184 HydrophobicContact CE2-CD1 4.41Å; F181-I184 HydrophobicContact CE2-CG1 4Å
182D91.2Very high83.9Confident13 Ų1325.7 Ų25.77%0.0716%0.157CC..SBendtrans-78.7-39.8174.2-57.3-56.2000110.7F91 T92 P105 H117 T118F91-D182 HydrophobicContact CB-CB 4.27Å; F91-D182 HydrophobicContact CD1-CB 3.97Å; T92-D182 PolarHBondContact N-OD2 2.88Å; T92-D182 WeakPolarHBondContact O-CA 3.36Å; T92-D182 WeakPolarHBondContact O-CB 3.42Å; T92-D182 PolarHBondContact O-N 2.95Å; P105-D182 WeakPolarHBondContact CD-O 3.48Å; P105-D182 WeakPolarHBondContact CG-O 3.25Å; H117-D182 IonicContact CG-OD1 2.82Å; H117-D182 IonicContact ND1-OD1 3.34Å; H117-D182 PolarHBondContact ND1-OD1 3.5Å; T118-D182 PolarHBondContact N-OD1 3.38Å; T118-D182 PolarHBondContact OG1-OD1 3.31Å; T118-D182 PolarHBondContact OG1-OD2 3.32Å
183G92.5Very high85Confident0 Ų023.4 Ų23.40%014%0.144CC..EExtended strand (participates in β ladder)trans-155.7-169.8-176.900000114.7T92 V93 I94 W103 F181T92-G183 PolarHBondContact O-N 2.85Å; V93-G183 WeakPolarHBondContact CA-O 3.49Å; V93-G183 WeakPolarHBondContact CB-O 3.39Å; I94-G183 PolarHBondContact N-O 3.18Å; I94-G183 VanDerWaalsContact N-O 3.17Å; W103-G183 WeakPolarHBondContact O-CA 3.42Å; F181-G183 VanDerWaalsContact CD2-O 3.25Å; F181-G183 WeakPolarHBondContact CD2-O 3.06Å
184I92.8Very high85.9Confident0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-125.9137.3179.1-57.4173.2000109L70 I94 D96 L102 W103 Y139 F181L70-I184 HydrophobicContact CD1-CD1 3.5Å; I94-I184 HydrophobicContact CB-CG1 4.48Å; D96-I184 HydrophobicContact CB-CG2 3.52Å; L102-I184 WeakPolarHBondContact CA-O 3.2Å; L102-I184 WeakPolarHBondContact CD1-O 3.1Å; W103-I184 HydrophobicContact CZ2-CB 4.25Å; W103-I184 HydrophobicContact CZ2-CD1 3.65Å; W103-I184 HydrophobicContact CZ2-CG1 3.61Å; W103-I184 PolarHBondContact N-O 2.84Å; W103-I184 PolarHBondContact O-N 3.45Å; Y139-I184 HydrophobicContact CE1-CD1 4.24Å; F181-I184 HydrophobicContact CD2-CG1 4.44Å; F181-I184 HydrophobicContact CE2-CD1 4.41Å; F181-I184 HydrophobicContact CE2-CG1 4Å
185L97.3Very high86.6Confident0 Ų020.9 Ų20.90%013%0.133CC..EExtended strand (participates in β ladder)trans-110.4103.1168.9-171.3159.2000108.7I82 V93 I94 F95 D96 L102 V155 L187 V200I82-L185 HydrophobicContact CD1-CD1 4.3Å; I82-L185 HydrophobicContact CG2-CD1 3.85Å; V93-L185 HydrophobicContact CG2-CB 4.01Å; I94-L185 PolarHBondContact O-N 3.27Å; F95-L185 HydrophobicContact CD1-CB 4.48Å; F95-L185 HydrophobicContact CD1-CD1 4.45Å; F95-L185 HydrophobicContact CD1-CD2 3.94Å; F95-L185 HydrophobicContact CE1-CD1 3.84Å; F95-L185 HydrophobicContact CE1-CD2 4.07Å; F95-L185 HydrophobicContact CE1-CG 4.39Å; F95-L185 HydrophobicContact CZ-CD1 4.36Å; D96-L185 PolarHBondContact N-O 2.87Å; L102-L185 HydrophobicContact CD1-CB 3.96Å; L102-L185 HydrophobicContact CD1-CD1 4.42Å; L102-L185 HydrophobicContact CD1-CG 4.17Å; V155-L185 HydrophobicContact CG2-CD1 4.27Å; L185-L187 HydrophobicContact CD2-CD2 3.63Å; L185-L187 HydrophobicContact CD2-CG 4.04Å; L185-V200 HydrophobicContact CD1-CB 4.46Å; L185-V200 HydrophobicContact CD1-CG1 4.36Å; L185-V200 HydrophobicContact CD1-CG2 4.13Å; L185-V200 HydrophobicContact CD2-CB 4.17Å; L185-V200 HydrophobicContact CD2-CG2 4.26Å; L185-V200 HydrophobicContact CG-CB 4.37Å; L185-V200 HydrophobicContact CG-CG2 3.95Å
186G96.2Very high87.5Confident0 Ų023.6 Ų23.60%016%0.163CC..EExtended strand (participates in β ladder)trans-68.1136.617700000113.9D96 S99 N101D96-G186 CarbonylContact O-C 3.52Å; D96-G186 WeakPolarHBondContact O-CA 3.3Å; S99-G186 CarbonylContact O-C 3.57Å; S99-G186 VanDerWaalsContact O-C 3.29Å; S99-G186 WeakPolarHBondContact O-CA 3.22Å; N101-G186 PolarHBondContact O-N 3.1Å
187L97.5Very high88.6Confident1 Ų123.7 Ų23.71%0.00516%0.164CC..  trans-121.510.8179.8-65.5176.3000112.6F95 D96 T97 S99 L185 F201 F215 L231 F233 W256F95-L187 HydrophobicContact CB-CD1 3.92Å; F95-L187 HydrophobicContact CD1-CD1 4.11Å; D96-L187 PolarHBondContact O-N 2.96Å; T97-L187 HydrophobicContact CG2-CB 3.89Å; T97-L187 HydrophobicContact CG2-CD1 4.27Å; S99-L187 PolarHBondContact O-N 3.1Å; L185-L187 HydrophobicContact CD2-CD2 3.63Å; L185-L187 HydrophobicContact CD2-CG 4.04Å; L187-F201 HydrophobicContact CD2-CB 4.34Å; L187-F215 HydrophobicContact CB-CE1 4.34Å; L187-F215 HydrophobicContact CB-CE2 4.29Å; L187-F215 HydrophobicContact CB-CZ 3.81Å; L187-F215 HydrophobicContact CD1-CD2 4.35Å; L187-F215 HydrophobicContact CD1-CE2 3.92Å; L187-F215 HydrophobicContact CD1-CZ 4.25Å; L187-L231 HydrophobicContact CD1-CD1 3.51Å; L187-F233 HydrophobicContact CD2-CE1 3.87Å; L187-F233 HydrophobicContact CD2-CZ 4.04Å; L187-W256 PolarHBondContact O-NE1 2.78Å
188G95.6Very high89.7Confident1 Ų124.7 Ų24.71%0.0117%0.17CC..SBendtrans-72.1-173.717100000113.5S99 S100S99-G188 WeakPolarHBondContact O-CA 3.23Å; S99-G188 PolarHBondContact O-N 3.31Å; S100-G188 WeakPolarHBondContact OG-CA 3.23Å
189Y96.3Very high90.9Very high4 Ų422.3 Ų22.32%0.01616%0.157CC..  trans-82152.5178.6-71.6-108000111.6S100 S191 L192 Q253 G254 W256 N387S100-Y189 WeakPolarHBondContact CB-O 3.21Å; S100-Y189 PolarHBondContact OG-N 3.24Å; S100-Y189 PolarHBondContact OG-O 3.01Å; Y189-S191 PolarHBondContact O-N 3.29Å; Y189-L192 PolarHBondContact O-N 2.61Å; Y189-Q253 HydrophobicContact CD1-CB 3.98Å; Y189-Q253 HydrophobicContact CD1-CG 4.12Å; Y189-Q253 HydrophobicContact CE1-CB 4.24Å; Y189-Q253 HydrophobicContact CE1-CG 3.89Å; Y189-Q253 HydrophobicContact CG-CB 4.37Å; Y189-G254 WeakPolarHBondContact CB-O 3.39Å; Y189-G254 VanDerWaalsContact CD2-O 3.27Å; Y189-G254 WeakPolarHBondContact CD2-O 3.35Å; Y189-G254 PolarHBondContact N-O 2.78Å; Y189-W256 AromaticContact CE2-CD2 3.74Å; Y189-W256 HydrophobicContact CE2-CD2 3.74Å; Y189-W256 AromaticContact CE2-CE2 3.81Å; Y189-W256 AromaticContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CG 4.37Å; Y189-W256 HydrophobicContact CE2-CH2 4.15Å; Y189-W256 HydrophobicContact CE2-CZ2 4.02Å; Y189-W256 HydrophobicContact CE2-CZ3 4.06Å; Y189-W256 AromaticContact CZ-CZ3 4Å; Y189-W256 WeakPolarHBondContact OH-CZ3 3.37Å; Y189-N387 WeakPolarHBondContact CE1-OD1 3.43Å
190P94.8Very high91.9Very high51 Ų5121.8 Ų21.833%0.33115%0.152SC..G310 helixtrans-53.9-25.8178.4-27.433.5000115.1L192 A193 P199 D202P190-L192 PolarHBondContact O-N 2.87Å; P190-A193 VanDerWaalsContact O-CB 3.31Å; P190-A193 WeakPolarHBondContact O-CB 3.47Å; P190-A193 PolarHBondContact O-N 3.11Å; P190-P199 HydrophobicContact CB-CG 4.27Å; P190-P199 HydrophobicContact CG-CG 4.09Å; P190-D202 VanDerWaalsContact CG-CG 3.46Å; P190-D202 WeakPolarHBondContact CG-OD1 3.42Å
191S91.6Very high92.8Very high87 Ų8718.5 Ų18.561%0.60814%0.137SC*.G310 helixtrans-65.5-17179.554.60000114.4Y189 G254Y189-S191 PolarHBondContact O-N 3.29Å; S191-G254 WeakPolarHBondContact OG-CA 3.42Å
192L87.4Confident93.3Very high22 Ų2219.4 Ų19.412%0.11514%0.142CC..G310 helixtrans-88.3-16.7171-61.8178.1000112.8Y189 P190 V194 G254 Y255Y189-L192 PolarHBondContact O-N 2.61Å; P190-L192 PolarHBondContact O-N 2.87Å; L192-V194 PolarHBondContact O-N 2.95Å; L192-G254 WeakPolarHBondContact CD1-O 3.18Å; L192-Y255 HydrophobicContact CD1-CD1 3.56Å; L192-Y255 HydrophobicContact CD1-CD2 4.46Å; L192-Y255 HydrophobicContact CD1-CE1 3.6Å; L192-Y255 HydrophobicContact CD1-CE2 4.48Å; L192-Y255 HydrophobicContact CD1-CG 4.01Å; L192-Y255 HydrophobicContact CD2-CD2 4.42Å; L192-Y255 HydrophobicContact CD2-CE1 4.35Å; L192-Y255 HydrophobicContact CD2-CE2 4Å
193A89.5Confident93.7Very high12 Ų1220 Ų2010%0.09915%0.145CC..  trans-67.6117.9-169.700000112.1N101 P190 G195 G196 V197N101-A193 WeakPolarHBondContact OD1-CA 3.16Å; P190-A193 VanDerWaalsContact O-CB 3.31Å; P190-A193 WeakPolarHBondContact O-CB 3.47Å; P190-A193 PolarHBondContact O-N 3.11Å; A193-G195 PolarHBondContact O-N 2.92Å; A193-G196 PolarHBondContact O-N 3.38Å; A193-G196 VanDerWaalsContact O-N 3.17Å; A193-V197 HydrophobicContact CB-CG2 4.07Å; A193-V197 WeakPolarHBondContact CB-O 3.16Å
194V86.4Confident94Very high23 Ų2320 Ų2014%0.13915%0.145CC..G310 helixtrans-62.3135.9173.5176.80000110A66 N101 F135 S136 I137 L192 G196A66-V194 HydrophobicContact CB-CG2 3.29Å; N101-V194 PolarHBondContact ND2-O 2.78Å; N101-V194 VanDerWaalsContact ND2-O 3.07Å; N101-V194 PolarHBondContact OD1-N 3.02Å; F135-V194 HydrophobicContact CB-CG1 4.36Å; S136-V194 WeakPolarHBondContact O-CG1 3.42Å; I137-V194 HydrophobicContact CG1-CB 4.34Å; I137-V194 HydrophobicContact CG1-CG2 4.14Å; L192-V194 PolarHBondContact O-N 2.95Å; V194-G196 PolarHBondContact O-N 3.15Å
195G83.3Confident94.2Very high38 Ų3822 Ų2239%0.39216%0.155SC..G310 helixtrans77.24.3-178.700000113.8A193 V197A193-G195 PolarHBondContact O-N 2.92Å; G195-V197 PolarHBondContact O-N 2.8Å
196G85.6Confident94.2Very high65 Ų6525.5 Ų25.567%0.6718%0.184SC*.G310 helixtrans66.122.7-178.400000113.1A193 V194A193-G196 PolarHBondContact O-N 3.38Å; A193-G196 VanDerWaalsContact O-N 3.17Å; V194-G196 PolarHBondContact O-N 3.15Å
197V92.2Very high94.3Very high5 Ų528.2 Ų28.23%0.0320%0.197CC..PPolyproline II helixtrans-68.9148.4177.4-59.70000110.3N101 I148 Q164 A193 G195 P199N101-V197 VanDerWaalsContact ND2-CG2 3.29Å; N101-V197 WeakPolarHBondContact ND2-CG2 3.33Å; I148-V197 HydrophobicContact CD1-CG1 4.06Å; I148-V197 HydrophobicContact CG1-CG1 4.24Å; I148-V197 HydrophobicContact CG2-CG1 4.04Å; Q164-V197 HydrophobicContact CB-CB 4.05Å; Q164-V197 HydrophobicContact CB-CG1 4.04Å; A193-V197 HydrophobicContact CB-CG2 4.07Å; A193-V197 WeakPolarHBondContact CB-O 3.16Å; G195-V197 PolarHBondContact O-N 2.8Å; V197-P199 WeakPolarHBondContact O-CD 3.42Å
198T96.6Very high94.3Very high55 Ų5535 Ų3534%0.33723%0.233SC..PPolyproline II helixtrans-80.3124177.2-56.60000109.9Q163 D202Q163-T198 PolarHBondContact NE2-O 2.76Å; T198-D202 HydrophobicContact CG2-CB 3.61Å
199P98Very high94.4Very high2 Ų237.2 Ų37.21%0.01325%0.245CC..PPolyproline II helixtrans-59.8159176.4-23.734.2000112.9P190 V197 F201 D202 N203P190-P199 HydrophobicContact CB-CG 4.27Å; P190-P199 HydrophobicContact CG-CG 4.09Å; V197-P199 WeakPolarHBondContact O-CD 3.42Å; P199-F201 PolarHBondContact O-N 3.06Å; P199-D202 HydrophobicContact CB-CB 4.48Å; P199-D202 WeakPolarHBondContact O-CB 3.07Å; P199-D202 PolarHBondContact O-N 2.66Å; P199-N203 PolarHBondContact O-N 2.84Å; P199-N203 VanDerWaalsContact O-N 3.14Å
200V98.5Very high94.3Very high2 Ų237.7 Ų37.71%0.01225%0.248CC..Hα-helixtrans-59.4-46.3-176.7-178.80000111.7L102 V160 Q163 L185 D202 N203 M204L102-V200 HydrophobicContact CB-CG2 3.92Å; L102-V200 HydrophobicContact CD2-CG2 3.83Å; L102-V200 HydrophobicContact CG-CG2 4.44Å; V160-V200 HydrophobicContact CG2-CG1 4.13Å; Q163-V200 HydrophobicContact CG-CG2 4.08Å; L185-V200 HydrophobicContact CD1-CB 4.46Å; L185-V200 HydrophobicContact CD1-CG1 4.36Å; L185-V200 HydrophobicContact CD1-CG2 4.13Å; L185-V200 HydrophobicContact CD2-CB 4.17Å; L185-V200 HydrophobicContact CD2-CG2 4.26Å; L185-V200 HydrophobicContact CG-CB 4.37Å; L185-V200 HydrophobicContact CG-CG2 3.95Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-D202 PolarHBondContact O-N 2.96Å; V200-N203 PolarHBondContact O-N 2.76Å; V200-M204 HydrophobicContact CG1-CE 3.87Å; V200-M204 HydrophobicContact CG1-SD 4.45Å; V200-M204 WeakPolarHBondContact O-CG 3.28Å; V200-M204 PolarHBondContact O-N 2.59Å
201F98.4Very high94.3Very high2 Ų240 Ų401%0.00926%0.258CS..Hα-helixtrans-67.9-33.6-178.1-170.1-118.9000112.6L187 P199 M204 M205 V210 M214 F215 F233 R384L187-F201 HydrophobicContact CD2-CB 4.34Å; P199-F201 PolarHBondContact O-N 3.06Å; F201-M204 HydrophobicContact CD2-CB 4.34Å; F201-M204 HydrophobicContact CD2-SD 4Å; F201-M204 WeakPolarHBondContact O-CB 3.49Å; F201-M204 PolarHBondContact O-N 2.87Å; F201-M205 HydrophobicContact CD1-CE 3.87Å; F201-M205 HydrophobicContact CD1-SD 4.17Å; F201-M205 HydrophobicContact CE1-CE 3.99Å; F201-M205 HydrophobicContact CE1-CG 4.13Å; F201-M205 HydrophobicContact CE1-SD 3.67Å; F201-M205 HydrophobicContact CE2-CG 4.48Å; F201-M205 HydrophobicContact CZ-CG 4.1Å; F201-M205 HydrophobicContact CZ-SD 4.14Å; F201-M205 WeakPolarHBondContact O-CG 3.44Å; F201-M205 PolarHBondContact O-N 2.94Å; F201-V210 HydrophobicContact CE2-CG1 4.32Å; F201-V210 HydrophobicContact CE2-CG2 4.24Å; F201-M214 WeakPolarHBondContact CZ-O 3.44Å; F201-F215 AromaticContact CD1-CD1 3.84Å; F201-F215 HydrophobicContact CD1-CD1 3.84Å; F201-F215 HydrophobicContact CD1-CE1 4.09Å; F201-F215 HydrophobicContact CD2-CD1 4.41Å; F201-F215 AromaticContact CE1-CD1 3.75Å; F201-F215 HydrophobicContact CE1-CD1 3.75Å; F201-F215 HydrophobicContact CE1-CE1 4.3Å; F201-F215 HydrophobicContact CE2-CB 4.5Å; F201-F215 HydrophobicContact CE2-CD1 4.34Å; F201-F215 HydrophobicContact CG-CD1 4.19Å; F201-F215 HydrophobicContact CZ-CD1 4.02Å; F201-F233 AromaticContact CD2-CD1 3.44Å; F201-F233 HydrophobicContact CD2-CD1 3.44Å; F201-F233 VanDerWaalsContact CD2-CD1 3.44Å; F201-F233 AromaticContact CD2-CE1 3.66Å; F201-F233 HydrophobicContact CD2-CE1 3.66Å; F201-F233 AromaticContact CE2-CD1 3.6Å; F201-F233 HydrophobicContact CE2-CD1 3.6Å; F201-F233 HydrophobicContact CE2-CE1 4.25Å; F201-F233 HydrophobicContact CG-CE1 4.37Å; F201-R384 HydrophobicContact CD1-CG 3.82Å; F201-R384 HydrophobicContact CE1-CB 4.16Å; F201-R384 HydrophobicContact CE1-CG 3.61Å
202D98.5Very high94.6Very high24 Ų2439.7 Ų39.713%0.12825%0.249CC..Hα-helixtrans-61.6-43.4172.4-73.8-100000112P190 T198 P199 V200 M205 A206 R384P190-D202 VanDerWaalsContact CG-CG 3.46Å; P190-D202 WeakPolarHBondContact CG-OD1 3.42Å; T198-D202 HydrophobicContact CG2-CB 3.61Å; P199-D202 HydrophobicContact CB-CB 4.48Å; P199-D202 WeakPolarHBondContact O-CB 3.07Å; P199-D202 PolarHBondContact O-N 2.66Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-D202 PolarHBondContact O-N 2.96Å; D202-M205 PolarHBondContact O-N 2.95Å; D202-A206 WeakPolarHBondContact O-CB 3.48Å; D202-A206 PolarHBondContact O-N 3.28Å; D202-R384 VanDerWaalsContact CG-NH1 3.35Å; D202-R384 IonicContact OD1-CZ 3.4Å; D202-R384 IonicContact OD1-NH1 2.93Å; D202-R384 PolarHBondContact OD1-NH1 3.42Å; D202-R384 IonicContact OD1-NH2 3.08Å; D202-R384 PolarHBondContact OD1-NH2 3.42Å; D202-R384 IonicContact OD2-CZ 2.82Å; D202-R384 IonicContact OD2-NH1 3.04Å; D202-R384 PolarHBondContact OD2-NH1 3.03Å; D202-R384 IonicContact OD2-NH2 2.82Å
203N98.5Very high95Very high25 Ų2541 Ų4113%0.13426%0.259CS..Hα-helixtrans-67.8-36.6174.3-84.1-38.4000112.4V160 Q163 P199 V200 M205 A206 Q207V160-N203 HydrophobicContact CG1-CB 3.4Å; V160-N203 VanDerWaalsContact CG1-CB 3.4Å; Q163-N203 PolarHBondContact OE1-ND2 3.44Å; P199-N203 PolarHBondContact O-N 2.84Å; P199-N203 VanDerWaalsContact O-N 3.14Å; V200-N203 PolarHBondContact O-N 2.76Å; N203-M205 VanDerWaalsContact C-N 3.33Å; N203-M205 PolarHBondContact O-N 2.96Å; N203-A206 PolarHBondContact O-N 3.03Å; N203-Q207 VanDerWaalsContact O-CB 3.24Å; N203-Q207 WeakPolarHBondContact O-CB 3.26Å; N203-Q207 WeakPolarHBondContact O-CG 3.21Å; N203-Q207 PolarHBondContact O-N 3.24Å
204M98.2Very high95.4Very high1 Ų141.1 Ų41.11%0.00526%0.257CS..Hα-helixtrans-57.3-46.7172.7-71.6175.3170.600111.5V155 L158 V160 V200 F201 Q207 N208 L209 V210 F233V155-M204 HydrophobicContact CB-CE 4.28Å; L158-M204 HydrophobicContact CB-CE 4.21Å; L158-M204 HydrophobicContact CD1-CE 4.06Å; L158-M204 HydrophobicContact CD1-SD 4.17Å; V160-M204 HydrophobicContact CG2-CE 3.93Å; V160-M204 HydrophobicContact CG2-CG 3.42Å; V160-M204 VanDerWaalsContact CG2-CG 3.42Å; V200-M204 HydrophobicContact CG1-CE 3.87Å; V200-M204 HydrophobicContact CG1-SD 4.45Å; V200-M204 WeakPolarHBondContact O-CG 3.28Å; V200-M204 PolarHBondContact O-N 2.59Å; F201-M204 HydrophobicContact CD2-CB 4.34Å; F201-M204 HydrophobicContact CD2-SD 4Å; F201-M204 WeakPolarHBondContact O-CB 3.49Å; F201-M204 PolarHBondContact O-N 2.87Å; M204-Q207 PolarHBondContact O-N 2.84Å; M204-N208 PolarHBondContact O-N 2.98Å; M204-L209 HydrophobicContact CB-CB 4.37Å; M204-L209 PolarHBondContact O-N 3.33Å; M204-V210 HydrophobicContact CB-CG1 4.22Å; M204-F233 HydrophobicContact CE-CD2 4.25Å; M204-F233 HydrophobicContact CE-CE2 4.08Å; M204-F233 HydrophobicContact CE-CZ 4.31Å; M204-F233 HydrophobicContact SD-CD1 3.99Å; M204-F233 HydrophobicContact SD-CD2 4.29Å; M204-F233 HydrophobicContact SD-CE1 4.09Å; M204-F233 HydrophobicContact SD-CE2 4.38Å; M204-F233 HydrophobicContact SD-CG 4.08Å; M204-F233 HydrophobicContact SD-CZ 4.28Å
205M97.8Very high96Very high41 Ų4140 Ų4020%0.20225%0.251CS..Hα-helixtrans-64.3-47.7176.3-68-175.8-67.300111.7F201 D202 N203 Q207 N208 V210 P213 R384F201-M205 HydrophobicContact CD1-CE 3.87Å; F201-M205 HydrophobicContact CD1-SD 4.17Å; F201-M205 HydrophobicContact CE1-CE 3.99Å; F201-M205 HydrophobicContact CE1-CG 4.13Å; F201-M205 HydrophobicContact CE1-SD 3.67Å; F201-M205 HydrophobicContact CE2-CG 4.48Å; F201-M205 HydrophobicContact CZ-CG 4.1Å; F201-M205 HydrophobicContact CZ-SD 4.14Å; F201-M205 WeakPolarHBondContact O-CG 3.44Å; F201-M205 PolarHBondContact O-N 2.94Å; D202-M205 PolarHBondContact O-N 2.95Å; N203-M205 VanDerWaalsContact C-N 3.33Å; N203-M205 PolarHBondContact O-N 2.96Å; M205-Q207 PolarHBondContact O-N 3.28Å; M205-N208 PolarHBondContact O-N 2.88Å; M205-V210 HydrophobicContact CG-CG2 4Å; M205-P213 HydrophobicContact CG-CB 4.3Å; M205-P213 HydrophobicContact SD-CB 3.52Å; M205-P213 VanDerWaalsContact SD-CB 3.52Å; M205-R384 HydrophobicContact CE-CB 4.04Å; M205-R384 HydrophobicContact CE-CG 4.13Å; M205-R384 HydrophobicContact SD-CB 3.86Å; M205-R384 HydrophobicContact SD-CG 4.39Å
206A98.1Very high96.7Very high74 Ų7438.3 Ų38.361%0.61223%0.232SC*.Hα-helixtrans-63.5-29.8-178.900000113.2D202 N203 N208D202-A206 WeakPolarHBondContact O-CB 3.48Å; D202-A206 PolarHBondContact O-N 3.28Å; N203-A206 PolarHBondContact O-N 3.03Å; A206-N208 VanDerWaalsContact C-N 3.35Å
207Q98.2Very high97.3Very high57 Ų5735.2 Ų35.227%0.26620%0.201SC..THydrogen-bonded Turntrans-91.14.9178.3-64.1176.93500112.9V161 N203 M204 M205 L209V161-Q207 PolarHBondContact O-NE2 3.1Å; N203-Q207 VanDerWaalsContact O-CB 3.24Å; N203-Q207 WeakPolarHBondContact O-CB 3.26Å; N203-Q207 WeakPolarHBondContact O-CG 3.21Å; N203-Q207 PolarHBondContact O-N 3.24Å; M204-Q207 PolarHBondContact O-N 2.84Å; M205-Q207 PolarHBondContact O-N 3.28Å; Q207-L209 VanDerWaalsContact C-N 3.26Å; Q207-L209 HydrophobicContact CB-CD1 4.07Å; Q207-L209 HydrophobicContact CB-CD2 4.43Å; Q207-L209 HydrophobicContact CB-CG 3.79Å; Q207-L209 PolarHBondContact O-N 2.9Å
208N96.8Very high97.5Very high144 Ų14435.3 Ų35.377%0.7720%0.2SC*.THydrogen-bonded Turntrans5340.8-176.6-54.6-74.6000113M204 M205 A206M204-N208 PolarHBondContact O-N 2.98Å; M205-N208 PolarHBondContact O-N 2.88Å; A206-N208 VanDerWaalsContact C-N 3.35Å
209L96.8Very high97.3Very high47 Ų4732.8 Ų32.825%0.24619%0.185CC..  trans-86.9-10.2179.3-61.3-178.9000113L158 T159 V160 M204 Q207L158-L209 HydrophobicContact CD2-CB 4.28Å; L158-L209 WeakPolarHBondContact CD2-O 3.47Å; T159-L209 VanDerWaalsContact O-CD1 3.32Å; T159-L209 WeakPolarHBondContact O-CD1 3.31Å; V160-L209 HydrophobicContact CB-CD1 4.45Å; V160-L209 HydrophobicContact CG2-CD1 3.94Å; M204-L209 HydrophobicContact CB-CB 4.37Å; M204-L209 PolarHBondContact O-N 3.33Å; Q207-L209 VanDerWaalsContact C-N 3.26Å; Q207-L209 HydrophobicContact CB-CD1 4.07Å; Q207-L209 HydrophobicContact CB-CD2 4.43Å; Q207-L209 HydrophobicContact CB-CG 3.79Å; Q207-L209 PolarHBondContact O-N 2.9Å
210V95.9Very high96.7Very high15 Ų1533 Ų339%0.09119%0.186CC..SBendtrans-128.6140.1-178-67.80000109.9L158 F201 M204 M205 F233L158-V210 HydrophobicContact CD1-CG1 4.08Å; F201-V210 HydrophobicContact CE2-CG1 4.32Å; F201-V210 HydrophobicContact CE2-CG2 4.24Å; M204-V210 HydrophobicContact CB-CG1 4.22Å; M205-V210 HydrophobicContact CG-CG2 4Å; V210-F233 HydrophobicContact CG1-CB 3.88Å
211D94.6Very high95.4Very high100 Ų10036.5 Ų36.554%0.53521%0.211SC..SBendtrans-70.1-37.6-175.8-70.6-39.6000112.6G19 S20G19-D211 WeakPolarHBondContact CA-OD2 3.06Å; S20-D211 PolarHBondContact N-OD2 3.24Å; S20-D211 VanDerWaalsContact N-OD2 3.09Å
212L96.7Very high93.8Very high80 Ų8040.3 Ų40.342%0.41923%0.231SC..SBendtrans-121.5147.2175.1-60.3174.7000111M214 G234L212-M214 HydrophobicContact CB-CE 4.07Å; L212-M214 HydrophobicContact CB-CG 3.83Å; L212-M214 HydrophobicContact CB-SD 4.25Å; L212-M214 HydrophobicContact CD1-CE 4.07Å; L212-M214 HydrophobicContact CD1-SD 3.99Å; L212-M214 PolarHBondContact O-N 2.71Å; L212-G234 WeakPolarHBondContact CB-O 3.49Å; L212-G234 PolarHBondContact N-O 2.88Å; L212-G234 WeakPolarHBondContact O-CA 3.3Å
213P97.3Very high91.8Very high50 Ų5043.2 Ų43.233%0.32525%0.252SS..SBendtrans-77.152.3176.135.4-38.4000111.2M205 R384 G385M205-P213 HydrophobicContact CG-CB 4.3Å; M205-P213 HydrophobicContact SD-CB 3.52Å; M205-P213 VanDerWaalsContact SD-CB 3.52Å; P213-R384 WeakPolarHBondContact O-CA 3.38Å; P213-R384 WeakPolarHBondContact O-CB 3.49Å; P213-R384 PolarHBondContact O-N 2.69Å; P213-G385 PolarHBondContact O-N 3.25Å
214M98.1Very high89.6Confident14 Ų1451.2 Ų51.27%0.06929%0.288CS..EExtended strand (participates in β ladder)trans-146.3160.9178.166.8-173.264.600111.8F201 L212 G234 Y236 V381 F382 D383F201-M214 WeakPolarHBondContact CZ-O 3.44Å; L212-M214 HydrophobicContact CB-CE 4.07Å; L212-M214 HydrophobicContact CB-CG 3.83Å; L212-M214 HydrophobicContact CB-SD 4.25Å; L212-M214 HydrophobicContact CD1-CE 4.07Å; L212-M214 HydrophobicContact CD1-SD 3.99Å; L212-M214 PolarHBondContact O-N 2.71Å; M214-G234 WeakPolarHBondContact O-CA 3.37Å; M214-G234 PolarHBondContact O-N 2.87Å; M214-Y236 HydrophobicContact SD-CD1 3.74Å; M214-Y236 HydrophobicContact SD-CE1 4.03Å; M214-V381 HydrophobicContact CB-CG1 4.49Å; M214-V381 HydrophobicContact SD-CG1 4.11Å; M214-F382 WeakPolarHBondContact CA-O 3.39Å; M214-F382 VanDerWaalsContact CB-O 3.31Å; M214-F382 WeakPolarHBondContact CB-O 3.37Å; M214-D383 HydrophobicContact CB-CB 4.24Å; M214-D383 HydrophobicContact CE-CB 4.47Å
215F98.6Very high86.9Confident0 Ų052.9 Ų52.90%031%0.305CS..EExtended strand (participates in β ladder)trans-135.8162.9166.262.5-89.4000109.7T97 L187 F201 V217 L231 I232 F233 W256 F382T97-F215 HydrophobicContact CG2-CE2 3.73Å; T97-F215 HydrophobicContact CG2-CZ 3.83Å; L187-F215 HydrophobicContact CB-CE1 4.34Å; L187-F215 HydrophobicContact CB-CE2 4.29Å; L187-F215 HydrophobicContact CB-CZ 3.81Å; L187-F215 HydrophobicContact CD1-CD2 4.35Å; L187-F215 HydrophobicContact CD1-CE2 3.92Å; L187-F215 HydrophobicContact CD1-CZ 4.25Å; F201-F215 AromaticContact CD1-CD1 3.84Å; F201-F215 HydrophobicContact CD1-CD1 3.84Å; F201-F215 HydrophobicContact CD1-CE1 4.09Å; F201-F215 HydrophobicContact CD2-CD1 4.41Å; F201-F215 AromaticContact CE1-CD1 3.75Å; F201-F215 HydrophobicContact CE1-CD1 3.75Å; F201-F215 HydrophobicContact CE1-CE1 4.3Å; F201-F215 HydrophobicContact CE2-CB 4.5Å; F201-F215 HydrophobicContact CE2-CD1 4.34Å; F201-F215 HydrophobicContact CG-CD1 4.19Å; F201-F215 HydrophobicContact CZ-CD1 4.02Å; F215-V217 HydrophobicContact CD2-CG2 4.48Å; F215-L231 HydrophobicContact CD2-CD1 4.26Å; F215-I232 CarbonylContact C-O 3.49Å; F215-I232 WeakPolarHBondContact CA-O 3.31Å; F215-I232 WeakPolarHBondContact CB-O 2.99Å; F215-F233 HydrophobicContact CB-CD1 3.81Å; F215-F233 HydrophobicContact CB-CE1 4.25Å; F215-W256 AromaticContact CE1-CZ2 3.78Å; F215-W256 HydrophobicContact CE1-CZ2 3.78Å; F215-W256 AromaticContact CZ-CZ2 3.97Å; F215-W256 HydrophobicContact CZ-CZ2 3.97Å; F215-F382 HydrophobicContact CD1-CB 4.08Å; F215-F382 HydrophobicContact CD2-CB 3.97Å; F215-F382 AromaticContact CD2-CD2 3.69Å; F215-F382 HydrophobicContact CD2-CD2 3.69Å; F215-F382 HydrophobicContact CD2-CG 4.12Å; F215-F382 HydrophobicContact CE1-CB 3.66Å; F215-F382 HydrophobicContact CE1-CG 4.39Å; F215-F382 HydrophobicContact CE2-CB 3.54Å; F215-F382 HydrophobicContact CE2-CD1 4.27Å; F215-F382 AromaticContact CE2-CD2 3.24Å; F215-F382 HydrophobicContact CE2-CD2 3.24Å; F215-F382 AromaticContact CE2-CE2 3.95Å; F215-F382 HydrophobicContact CE2-CE2 3.95Å; F215-F382 AromaticContact CE2-CG 3.43Å; F215-F382 HydrophobicContact CE2-CG 3.43Å; F215-F382 VanDerWaalsContact CE2-CG 3.43Å; F215-F382 HydrophobicContact CG-CB 4.22Å; F215-F382 HydrophobicContact CZ-CB 3.35Å; F215-F382 HydrophobicContact CZ-CD1 4.2Å; F215-F382 AromaticContact CZ-CD2 3.93Å; F215-F382 HydrophobicContact CZ-CD2 3.93Å; F215-F382 AromaticContact CZ-CG 3.58Å; F215-F382 HydrophobicContact CZ-CG 3.58Å; F215-F382 PolarHBondContact N-O 3.09Å; F215-F382 VanDerWaalsContact N-O 3.08Å; F215-F382 PolarHBondContact O-N 3.38Å
216S98.4Very high85Confident1 Ų154.1 Ų54.11%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-138.5152.8-179.164.20000111.8L231 I232 G235 Y379 S380S216-L231 CarbonylContact O-C 3.46Å; S216-L231 VanDerWaalsContact O-CA 3.31Å; S216-L231 WeakPolarHBondContact O-CA 2.95Å; S216-I232 PolarHBondContact N-O 3.08Å; S216-I232 PolarHBondContact O-N 3.4Å; S216-I232 WeakPolarHBondContact OG-CB 3.32Å; S216-G235 PolarHBondContact OG-O 3.05Å; S216-Y379 WeakPolarHBondContact CB-OH 3.47Å; S216-Y379 PolarHBondContact OG-OH 3.44Å; S216-S380 CarbonylContact C-O 3.57Å; S216-S380 VanDerWaalsContact CA-O 3.26Å; S216-S380 WeakPolarHBondContact CA-O 3.12Å
217V97.7Very high82.9Confident1 Ų154 Ų541%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-127.7128.9-178.1-175.40000110.6L26 F215 M219 L231 T282 I375 Y379 S380 F382L26-V217 HydrophobicContact CD1-CG1 4.38Å; F215-V217 HydrophobicContact CD2-CG2 4.48Å; V217-M219 HydrophobicContact CG1-CE 4.03Å; V217-M219 HydrophobicContact CG1-CG 4.08Å; V217-L231 HydrophobicContact CG2-CD1 3.95Å; V217-L231 HydrophobicContact CG2-CG 4.34Å; V217-T282 HydrophobicContact CB-CG2 4.46Å; V217-T282 HydrophobicContact CG1-CG2 4.25Å; V217-T282 HydrophobicContact CG2-CG2 4.04Å; V217-I375 HydrophobicContact CG1-CG2 4.23Å; V217-Y379 WeakPolarHBondContact O-CD2 3.45Å; V217-S380 PolarHBondContact N-O 2.96Å; V217-S380 PolarHBondContact O-N 3.2Å; V217-F382 HydrophobicContact CB-CE2 4.4Å; V217-F382 HydrophobicContact CG2-CD2 4.42Å; V217-F382 HydrophobicContact CG2-CE2 3.9Å
218Y95.5Very high82Confident6 Ų653 Ų532%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-117.5125.8168.4174-113.1000109.5G228 S229 E230 H240 Y379 A394 V395 P396Y218-G228 VanDerWaalsContact CE1-O 3.32Å; Y218-G228 WeakPolarHBondContact CE1-O 3.24Å; Y218-S229 CarbonylContact O-C 3.5Å; Y218-S229 WeakPolarHBondContact O-CA 3.32Å; Y218-S229 WeakPolarHBondContact O-CB 3.5Å; Y218-E230 HydrophobicContact CD1-CG 4.33Å; Y218-E230 PolarHBondContact N-O 3.09Å; Y218-E230 PolarHBondContact O-N 3.45Å; Y218-H240 AromaticContact CD1-CE1 3.59Å; Y218-H240 AromaticContact CD1-CG 3.97Å; Y218-H240 AromaticContact CD1-ND1 3.44Å; Y218-H240 WeakPolarHBondContact CD1-ND1 2.98Å; Y218-H240 HydrophobicContact CD2-CB 3.87Å; Y218-H240 AromaticContact CD2-CG 3.98Å; Y218-H240 AromaticContact CD2-ND1 3.8Å; Y218-H240 AromaticContact CE1-CE1 3.58Å; Y218-H240 AromaticContact CE1-ND1 3.42Å; Y218-H240 WeakPolarHBondContact CE1-ND1 3.49Å; Y218-H240 HydrophobicContact CE2-CB 4.39Å; Y218-H240 AromaticContact CE2-ND1 3.8Å; Y218-H240 HydrophobicContact CG-CB 4.05Å; Y218-H240 AromaticContact CG-CG 3.76Å; Y218-H240 AromaticContact CG-ND1 3.63Å; Y218-H240 AromaticContact CZ-ND1 3.61Å; Y218-Y379 HydrophobicContact CD2-CD2 4.22Å; Y218-Y379 HydrophobicContact CG-CD2 4.48Å; Y218-A394 HydrophobicContact CD2-CB 4.44Å; Y218-A394 HydrophobicContact CE2-CB 4.26Å; Y218-V395 WeakPolarHBondContact CE2-O 3.38Å; Y218-V395 PolarHBondContact OH-O 3.48Å; Y218-P396 VanDerWaalsContact OH-CA 3.26Å; Y218-P396 WeakPolarHBondContact OH-CA 3.3Å; Y218-P396 PolarHBondContact OH-OXT 2.63Å
219M92.3Very high81.7Confident3 Ų346.5 Ų46.52%0.01530%0.299CS..  trans-115.6108.2175.2-65.6175.9176.900109.6Y78 V217 S221 T282 D372 I375 R376Y78-M219 HydrophobicContact CD2-CE 4.23Å; Y78-M219 HydrophobicContact CD2-CG 4.48Å; Y78-M219 HydrophobicContact CD2-SD 4.12Å; Y78-M219 HydrophobicContact CE1-CB 4.38Å; Y78-M219 HydrophobicContact CE1-CG 4.49Å; Y78-M219 HydrophobicContact CE2-CB 4.42Å; Y78-M219 HydrophobicContact CE2-CG 4.24Å; Y78-M219 HydrophobicContact CE2-SD 3.9Å; V217-M219 HydrophobicContact CG1-CE 4.03Å; V217-M219 HydrophobicContact CG1-CG 4.08Å; M219-S221 PolarHBondContact O-N 2.01Å; M219-T282 HydrophobicContact CE-CG2 4.08Å; M219-D372 WeakPolarHBondContact CE-OD1 3.27Å; M219-D372 HydrophobicContact SD-CB 3.88Å; M219-I375 HydrophobicContact CE-CB 4.42Å; M219-I375 HydrophobicContact CE-CG2 4.06Å; M219-I375 HydrophobicContact CG-CG2 4.16Å; M219-I375 HydrophobicContact SD-CB 3.89Å; M219-I375 HydrophobicContact SD-CG2 3.74Å; M219-R376 HydrophobicContact CB-CB 4.36Å; M219-R376 HydrophobicContact CB-CG 3.53Å; M219-R376 HydrophobicContact SD-CG 4.22Å
220S85.2Confident81.6Confident5 Ų545 Ų454%0.03529%0.29CS..  trans-65.8133.5178.6171.90000111.2Y78 N222 G228 S229Y78-S220 PolarHBondContact OH-O 3.44Å; S220-N222 PolarHBondContact O-N 2.53Å; S220-N222 PolarHBondContact OG-N 3.28Å; S220-N222 PolarHBondContact OG-O 3.45Å; S220-N222 VanDerWaalsContact OG-O 3.05Å; S220-G228 WeakPolarHBondContact CB-O 3.4Å; S220-S229 PolarHBondContact N-OG 3.16Å
221S71.3Confident81.6Confident77 Ų7744.3 Ų44.354%0.53829%0.286SS..SBendtrans-71.6-16.8171.7580000113.2M219M219-S221 PolarHBondContact O-N 2.01Å
222N66.3Low81.7Confident81 Ų8139.6 Ų39.643%0.43326%0.261SS..  trans-113.7104.2-179-172.74.6000111.8S220 E224 G225S220-N222 PolarHBondContact O-N 2.53Å; S220-N222 PolarHBondContact OG-N 3.28Å; S220-N222 PolarHBondContact OG-O 3.45Å; S220-N222 VanDerWaalsContact OG-O 3.05Å; N222-E224 VanDerWaalsContact C-N 3.31Å; N222-E224 PolarHBondContact O-N 3.41Å; N222-E224 PolarHBondContact OD1-N 2.69Å; N222-E224 VanDerWaalsContact OD1-N 3.1Å; N222-G225 WeakPolarHBondContact CB-O 3.34Å; N222-G225 WeakPolarHBondContact ND2-CA 3.25Å; N222-G225 PolarHBondContact ND2-N 2.79Å; N222-G225 PolarHBondContact ND2-O 3.33Å; N222-G225 VanDerWaalsContact ND2-O 3.07Å; N222-G225 PolarHBondContact OD1-N 3.24Å
223P55.3Low81.8Confident86 Ų8635.9 Ų35.956%0.55824%0.241SC*.SBendtrans-70.1-23.5177.419.1-22.4000114.3R28R28-P223 HydrophobicContact CB-CB 4.43Å
224E52.6Low81.8Confident193 Ų19333.7 Ų33.790%0.90223%0.228SC*.SBendtrans-104.6-5.1-173.3-64.5-164.6169.700114N222N222-E224 VanDerWaalsContact C-N 3.31Å; N222-E224 PolarHBondContact O-N 3.41Å; N222-E224 PolarHBondContact OD1-N 2.69Å; N222-E224 VanDerWaalsContact OD1-N 3.1Å
225G42.6Very low81.7Confident35 Ų3533.2 Ų33.236%0.36123%0.226SC..SBendtrans-150124.5178.500000113.8N222N222-G225 WeakPolarHBondContact CB-O 3.34Å; N222-G225 WeakPolarHBondContact ND2-CA 3.25Å; N222-G225 PolarHBondContact ND2-N 2.79Å; N222-G225 PolarHBondContact ND2-O 3.33Å; N222-G225 VanDerWaalsContact ND2-O 3.07Å; N222-G225 PolarHBondContact OD1-N 3.24Å
226G56.3Low81.5Confident68 Ų6835.3 Ų35.370%0.70124%0.235SC*.SBendtrans117.5-168.7173.300000114.9G228G226-G228 PolarHBondContact O-N 3.06Å
227A54.8Low81.3Confident72 Ų7236.3 Ų36.360%0.59524%0.24SC*.SBendtrans-645.5-168.300000116.6
228G79.6Confident81.2Confident34 Ų3441.3 Ų41.335%0.35126%0.263SS..  trans72179.2-172.400000112.6Y218 S220 G226Y218-G228 VanDerWaalsContact CE1-O 3.32Å; Y218-G228 WeakPolarHBondContact CE1-O 3.24Å; S220-G228 WeakPolarHBondContact CB-O 3.4Å; G226-G228 PolarHBondContact O-N 3.06Å
229S91.1Very high81Confident9 Ų944.6 Ų44.66%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-93.4152.3163.9-58.30000108.1L26 Y78 Y218 S220L26-S229 PolarHBondContact N-O 2.99Å; Y78-S229 VanDerWaalsContact CE1-OG 3.24Å; Y78-S229 WeakPolarHBondContact CE1-OG 3.29Å; Y218-S229 CarbonylContact O-C 3.5Å; Y218-S229 WeakPolarHBondContact O-CA 3.32Å; Y218-S229 WeakPolarHBondContact O-CB 3.5Å; S220-S229 PolarHBondContact N-OG 3.16Å
230E93.1Very high81.1Confident15 Ų1545 Ų457%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-148.5151.9-177.959.1166.4-158.400113.2R23 V24 Y218 I232 H240R23-E230 WeakPolarHBondContact CD-OE2 3.36Å; R23-E230 IonicContact CZ-OE2 3.67Å; R23-E230 IonicContact NH1-OE1 3.97Å; R23-E230 PolarHBondContact NH1-OE1 3.22Å; R23-E230 IonicContact NH1-OE2 3.29Å; R23-E230 PolarHBondContact NH1-OE2 3.12Å; V24-E230 CarbonylContact O-C 3.55Å; V24-E230 VanDerWaalsContact O-CA 3.27Å; V24-E230 WeakPolarHBondContact O-CA 3.36Å; Y218-E230 HydrophobicContact CD1-CG 4.33Å; Y218-E230 PolarHBondContact N-O 3.09Å; Y218-E230 PolarHBondContact O-N 3.45Å; E230-I232 WeakPolarHBondContact OE1-CD1 3.33Å; E230-H240 IonicContact OE1-CD2 2.84Å; E230-H240 PolarHBondContact OE1-CD2 2.92Å; E230-H240 IonicContact OE1-NE2 2.75Å; E230-H240 PolarHBondContact OE1-NE2 3.16Å
231L96.7Very high81.5Confident1 Ų145.3 Ų45.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-114.9132.1164.4175.3144.8000108.4V24 L26 F95 L187 F215 S216 V217 F233V24-L231 WeakPolarHBondContact CA-O 3.18Å; V24-L231 HydrophobicContact CB-CB 4.26Å; V24-L231 HydrophobicContact CB-CD2 4.25Å; V24-L231 WeakPolarHBondContact CB-O 3.5Å; V24-L231 HydrophobicContact CG2-CD2 3.94Å; V24-L231 PolarHBondContact N-O 2.92Å; V24-L231 PolarHBondContact O-N 3.26Å; L26-L231 HydrophobicContact CD1-CB 4.22Å; L26-L231 HydrophobicContact CD2-CB 4.45Å; L26-L231 HydrophobicContact CG-CB 4.4Å; F95-L231 HydrophobicContact CB-CD1 4.05Å; F95-L231 HydrophobicContact CD1-CD1 4.11Å; F95-L231 HydrophobicContact CD1-CD2 4.47Å; F95-L231 HydrophobicContact CG-CD1 4.23Å; L187-L231 HydrophobicContact CD1-CD1 3.51Å; F215-L231 HydrophobicContact CD2-CD1 4.26Å; S216-L231 CarbonylContact O-C 3.46Å; S216-L231 VanDerWaalsContact O-CA 3.31Å; S216-L231 WeakPolarHBondContact O-CA 2.95Å; V217-L231 HydrophobicContact CG2-CD1 3.95Å; V217-L231 HydrophobicContact CG2-CG 4.34Å; L231-F233 HydrophobicContact CD2-CD1 4.14Å; L231-F233 HydrophobicContact CD2-CD2 3.63Å; L231-F233 HydrophobicContact CD2-CE1 3.83Å; L231-F233 HydrophobicContact CD2-CE2 3.27Å; L231-F233 HydrophobicContact CD2-CG 4.06Å; L231-F233 HydrophobicContact CD2-CZ 3.39Å
232I97.3Very high82.7Confident1 Ų144.4 Ų44.41%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-113.4125.4179-49.7-177.7000109L21 H22 R23 F215 S216 E230 D237L21-I232 HydrophobicContact CB-CG2 3.83Å; L21-I232 HydrophobicContact CD1-CD1 4.4Å; L21-I232 HydrophobicContact CD2-CG2 3.98Å; L21-I232 HydrophobicContact CG-CG2 4.35Å; H22-I232 WeakPolarHBondContact O-CA 3Å; R23-I232 HydrophobicContact CG-CD1 4.49Å; R23-I232 HydrophobicContact CG-CG1 4.24Å; F215-I232 CarbonylContact C-O 3.49Å; F215-I232 WeakPolarHBondContact CA-O 3.31Å; F215-I232 WeakPolarHBondContact CB-O 2.99Å; S216-I232 PolarHBondContact N-O 3.08Å; S216-I232 PolarHBondContact O-N 3.4Å; S216-I232 WeakPolarHBondContact OG-CB 3.32Å; E230-I232 WeakPolarHBondContact OE1-CD1 3.33Å; I232-D237 HydrophobicContact CD1-CB 3.73Å
233F97.8Very high84Confident1 Ų144.2 Ų44.20%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-92138.4167-68.6-68000110.8H22 V24 F95 V155 L158 L187 F201 M204 V210 F215 L231H22-F233 HydrophobicContact CB-CB 4.22Å; H22-F233 PolarHBondContact N-O 3.39Å; H22-F233 PolarHBondContact O-N 3.41Å; V24-F233 HydrophobicContact CG2-CD2 4Å; V24-F233 HydrophobicContact CG2-CE2 3.9Å; F95-F233 HydrophobicContact CD1-CZ 4.41Å; F95-F233 HydrophobicContact CE1-CE2 4.23Å; F95-F233 HydrophobicContact CE1-CZ 4.13Å; V155-F233 HydrophobicContact CG1-CE2 3.94Å; L158-F233 HydrophobicContact CD1-CB 3.95Å; L158-F233 HydrophobicContact CD1-CD2 4.25Å; L158-F233 HydrophobicContact CD1-CG 4.38Å; L187-F233 HydrophobicContact CD2-CE1 3.87Å; L187-F233 HydrophobicContact CD2-CZ 4.04Å; F201-F233 AromaticContact CD2-CD1 3.44Å; F201-F233 HydrophobicContact CD2-CD1 3.44Å; F201-F233 VanDerWaalsContact CD2-CD1 3.44Å; F201-F233 AromaticContact CD2-CE1 3.66Å; F201-F233 HydrophobicContact CD2-CE1 3.66Å; F201-F233 AromaticContact CE2-CD1 3.6Å; F201-F233 HydrophobicContact CE2-CD1 3.6Å; F201-F233 HydrophobicContact CE2-CE1 4.25Å; F201-F233 HydrophobicContact CG-CE1 4.37Å; M204-F233 HydrophobicContact CE-CD2 4.25Å; M204-F233 HydrophobicContact CE-CE2 4.08Å; M204-F233 HydrophobicContact CE-CZ 4.31Å; M204-F233 HydrophobicContact SD-CD1 3.99Å; M204-F233 HydrophobicContact SD-CD2 4.29Å; M204-F233 HydrophobicContact SD-CE1 4.09Å; M204-F233 HydrophobicContact SD-CE2 4.38Å; M204-F233 HydrophobicContact SD-CG 4.08Å; M204-F233 HydrophobicContact SD-CZ 4.28Å; V210-F233 HydrophobicContact CG1-CB 3.88Å; F215-F233 HydrophobicContact CB-CD1 3.81Å; F215-F233 HydrophobicContact CB-CE1 4.25Å; L231-F233 HydrophobicContact CD2-CD1 4.14Å; L231-F233 HydrophobicContact CD2-CD2 3.63Å; L231-F233 HydrophobicContact CD2-CE1 3.83Å; L231-F233 HydrophobicContact CD2-CE2 3.27Å; L231-F233 HydrophobicContact CD2-CG 4.06Å; L231-F233 HydrophobicContact CD2-CZ 3.39Å
234G96.4Very high85.9Confident5 Ų544.9 Ų44.95%0.05231%0.307CS..SBendtrans89.38.7173.200000115.9L212 M214L212-G234 WeakPolarHBondContact CB-O 3.49Å; L212-G234 PolarHBondContact N-O 2.88Å; L212-G234 WeakPolarHBondContact O-CA 3.3Å; M214-G234 WeakPolarHBondContact O-CA 3.37Å; M214-G234 PolarHBondContact O-N 2.87Å
235G96.3Very high88.1Confident3 Ų336.6 Ų36.63%0.03127%0.269CS..SBendtrans168.2-159.4-18000000112.4S216S216-G235 PolarHBondContact OG-O 3.05Å
236Y96.1Very high90.7Very high45 Ų4536 Ų3618%0.17626%0.259CS..  trans-148.316417659.6-97.9000110.4M214 H238 F241 L245 W247 Y379 V381M214-Y236 HydrophobicContact SD-CD1 3.74Å; M214-Y236 HydrophobicContact SD-CE1 4.03Å; Y236-H238 AromaticContact CE2-CD2 3.84Å; Y236-H238 AromaticContact CE2-CE1 3.61Å; Y236-H238 AromaticContact CE2-NE2 3.36Å; Y236-H238 WeakPolarHBondContact CE2-NE2 3.31Å; Y236-F241 AromaticContact CD2-CE1 3.84Å; Y236-F241 HydrophobicContact CD2-CE1 3.84Å; Y236-F241 HydrophobicContact CD2-CZ 4.06Å; Y236-F241 HydrophobicContact CE2-CE1 4.28Å; Y236-F241 HydrophobicContact CE2-CZ 4.02Å; Y236-L245 HydrophobicContact CD1-CD1 4.21Å; Y236-L245 HydrophobicContact CD2-CD1 4.06Å; Y236-L245 HydrophobicContact CE1-CD1 3.94Å; Y236-L245 HydrophobicContact CE2-CD1 3.77Å; Y236-L245 HydrophobicContact CG-CD1 4.27Å; Y236-W247 HydrophobicContact CE1-CZ2 4.47Å; Y236-Y379 WeakPolarHBondContact CA-OH 3.37Å; Y236-Y379 VanDerWaalsContact CB-OH 3.31Å; Y236-Y379 WeakPolarHBondContact CB-OH 3.27Å; Y236-V381 HydrophobicContact CD1-CG1 4.01Å; Y236-V381 HydrophobicContact CD1-CG2 4.25Å; Y236-V381 HydrophobicContact CG-CG2 4.07Å
237D94.1Very high92.7Very high21 Ų2135.9 Ų35.911%0.11224%0.238CC..  trans-115.3115.5-176.9-172.9-1.9000111.8L21 R23 I232 S239 H240 F241 Y379L21-D237 HydrophobicContact CD1-CB 4.39Å; R23-D237 IonicContact CZ-OD2 2.79Å; R23-D237 VanDerWaalsContact CZ-OD2 3.29Å; R23-D237 IonicContact NH1-OD2 2.54Å; R23-D237 PolarHBondContact NH1-OD2 2.79Å; R23-D237 IonicContact NH2-OD2 2.69Å; R23-D237 PolarHBondContact NH2-OD2 2.93Å; I232-D237 HydrophobicContact CD1-CB 3.73Å; D237-S239 VanDerWaalsContact CG-OG 3.25Å; D237-S239 PolarHBondContact O-N 2.69Å; D237-S239 PolarHBondContact OD1-N 2.95Å; D237-S239 PolarHBondContact OD1-OG 3.03Å; D237-S239 VanDerWaalsContact OD1-OG 3.09Å; D237-S239 PolarHBondContact OD2-OG 3.04Å; D237-S239 VanDerWaalsContact OD2-OG 3.07Å; D237-H240 PolarHBondContact O-N 2.54Å; D237-H240 VanDerWaalsContact O-N 3.16Å; D237-H240 IonicContact OD2-CD2 2.69Å; D237-H240 IonicContact OD2-NE2 3.86Å; D237-F241 WeakPolarHBondContact O-CD1 3.39Å; D237-F241 WeakPolarHBondContact O-CE1 3.47Å; D237-Y379 PolarHBondContact N-OH 3.14Å
238H93.8Very high94.8Very high107 Ų10732.7 Ų32.750%0.49521%0.211SC..G310 helixtrans-62-20.2177.3-75.1-83.6000113.9Y236 H240 F241Y236-H238 AromaticContact CE2-CD2 3.84Å; Y236-H238 AromaticContact CE2-CE1 3.61Å; Y236-H238 AromaticContact CE2-NE2 3.36Å; Y236-H238 WeakPolarHBondContact CE2-NE2 3.31Å; H238-H240 PolarHBondContact O-N 2.84Å; H238-F241 HydrophobicContact CB-CZ 4.42Å; H238-F241 AromaticContact CE1-CZ 3.92Å; H238-F241 AromaticContact CG-CZ 3.96Å; H238-F241 AromaticContact ND1-CE2 3.83Å; H238-F241 AromaticContact ND1-CZ 3.32Å; H238-F241 VanDerWaalsContact ND1-CZ 3.32Å; H238-F241 WeakPolarHBondContact ND1-CZ 3.38Å; H238-F241 VanDerWaalsContact O-O 3.11Å
239S92.8Very high95.7Very high74 Ų7434.9 Ų34.952%0.51722%0.219SC..G310 helixtrans-73.4-13176.766.50000113.9D237 V395D237-S239 VanDerWaalsContact CG-OG 3.25Å; D237-S239 PolarHBondContact O-N 2.69Å; D237-S239 PolarHBondContact OD1-N 2.95Å; D237-S239 PolarHBondContact OD1-OG 3.03Å; D237-S239 VanDerWaalsContact OD1-OG 3.09Å; D237-S239 PolarHBondContact OD2-OG 3.04Å; D237-S239 VanDerWaalsContact OD2-OG 3.07Å; S239-V395 WeakPolarHBondContact O-CG2 2.96Å
240H93.3Very high96.1Very high12 Ų1235.5 Ų35.56%0.05622%0.222CC..G310 helixtrans-95.80.6-178.6-76.3-54.4000114.6Y218 E230 D237 H238 Y379 A394 V395Y218-H240 AromaticContact CD1-CE1 3.59Å; Y218-H240 AromaticContact CD1-CG 3.97Å; Y218-H240 AromaticContact CD1-ND1 3.44Å; Y218-H240 WeakPolarHBondContact CD1-ND1 2.98Å; Y218-H240 HydrophobicContact CD2-CB 3.87Å; Y218-H240 AromaticContact CD2-CG 3.98Å; Y218-H240 AromaticContact CD2-ND1 3.8Å; Y218-H240 AromaticContact CE1-CE1 3.58Å; Y218-H240 AromaticContact CE1-ND1 3.42Å; Y218-H240 WeakPolarHBondContact CE1-ND1 3.49Å; Y218-H240 HydrophobicContact CE2-CB 4.39Å; Y218-H240 AromaticContact CE2-ND1 3.8Å; Y218-H240 HydrophobicContact CG-CB 4.05Å; Y218-H240 AromaticContact CG-CG 3.76Å; Y218-H240 AromaticContact CG-ND1 3.63Å; Y218-H240 AromaticContact CZ-ND1 3.61Å; E230-H240 IonicContact OE1-CD2 2.84Å; E230-H240 PolarHBondContact OE1-CD2 2.92Å; E230-H240 IonicContact OE1-NE2 2.75Å; E230-H240 PolarHBondContact OE1-NE2 3.16Å; D237-H240 PolarHBondContact O-N 2.54Å; D237-H240 VanDerWaalsContact O-N 3.16Å; D237-H240 IonicContact OD2-CD2 2.69Å; D237-H240 IonicContact OD2-NE2 3.86Å; H238-H240 PolarHBondContact O-N 2.84Å; H240-Y379 HydrophobicContact CB-CD2 3.74Å; H240-Y379 HydrophobicContact CB-CE2 3.69Å; H240-A394 WeakPolarHBondContact O-CA 3.41Å; H240-V395 PolarHBondContact O-N 2.87Å
241F95Very high96.2Very high12 Ų1238 Ų385%0.05324%0.238CC..BIsolated β-bridgetrans-144.4162.3173.363.3-90.2000113.2Y236 D237 H238 L245 Y379 A392 P393Y236-F241 AromaticContact CD2-CE1 3.84Å; Y236-F241 HydrophobicContact CD2-CE1 3.84Å; Y236-F241 HydrophobicContact CD2-CZ 4.06Å; Y236-F241 HydrophobicContact CE2-CE1 4.28Å; Y236-F241 HydrophobicContact CE2-CZ 4.02Å; D237-F241 WeakPolarHBondContact O-CD1 3.39Å; D237-F241 WeakPolarHBondContact O-CE1 3.47Å; H238-F241 HydrophobicContact CB-CZ 4.42Å; H238-F241 AromaticContact CE1-CZ 3.92Å; H238-F241 AromaticContact CG-CZ 3.96Å; H238-F241 AromaticContact ND1-CE2 3.83Å; H238-F241 AromaticContact ND1-CZ 3.32Å; H238-F241 VanDerWaalsContact ND1-CZ 3.32Å; H238-F241 WeakPolarHBondContact ND1-CZ 3.38Å; H238-F241 VanDerWaalsContact O-O 3.11Å; F241-L245 HydrophobicContact CE2-CG 4.13Å; F241-L245 HydrophobicContact CZ-CD1 4.21Å; F241-L245 HydrophobicContact CZ-CD2 4.4Å; F241-L245 HydrophobicContact CZ-CG 3.96Å; F241-Y379 HydrophobicContact CB-CD1 4.38Å; F241-Y379 HydrophobicContact CB-CG 4.2Å; F241-Y379 AromaticContact CD1-CD1 3.43Å; F241-Y379 HydrophobicContact CD1-CD1 3.43Å; F241-Y379 VanDerWaalsContact CD1-CD1 3.43Å; F241-Y379 AromaticContact CD1-CE1 3.67Å; F241-Y379 HydrophobicContact CD1-CE1 3.67Å; F241-Y379 AromaticContact CD1-CG 3.92Å; F241-Y379 HydrophobicContact CD1-CG 3.92Å; F241-Y379 AromaticContact CE1-CD1 3.99Å; F241-Y379 HydrophobicContact CE1-CD1 3.99Å; F241-Y379 AromaticContact CE1-CE1 3.84Å; F241-Y379 HydrophobicContact CE1-CE1 3.84Å; F241-Y379 HydrophobicContact CG-CD1 4.18Å; F241-Y379 HydrophobicContact CG-CG 4.46Å; F241-A392 HydrophobicContact CB-CB 3.74Å; F241-A392 HydrophobicContact CD2-CB 3.58Å; F241-A392 HydrophobicContact CE2-CB 4.39Å; F241-A392 HydrophobicContact CG-CB 3.81Å; F241-P393 CarbonylContact C-O 3.49Å; F241-P393 VanDerWaalsContact CA-O 3.22Å; F241-P393 WeakPolarHBondContact CA-O 3.29Å; F241-P393 WeakPolarHBondContact CB-O 3.19Å
242S94.8Very high96.1Very high57 Ų5742 Ų4240%0.39926%0.256SS..SBendtrans-107.8152.8173.961.90000111.6P393S242-P393 PolarHBondContact N-O 3.47Å
243G94.8Very high95.8Very high78 Ų7847.4 Ų47.480%0.80428%0.281SS*.SBendtrans73.1-140.6-178.900000112.6
244S95.3Very high95.4Very high99 Ų9947.6 Ų47.669%0.69228%0.283SS*.  trans-122.7148.4-177.957.60000111S246S244-S246 PolarHBondContact O-N 2.84Å
245L97.8Very high95.1Very high20 Ų2048.7 Ų48.711%0.10529%0.286CS..  trans-62126.2171.2-70.1166.2000110.9Y236 F241 W247 Y379 V381 A392Y236-L245 HydrophobicContact CD1-CD1 4.21Å; Y236-L245 HydrophobicContact CD2-CD1 4.06Å; Y236-L245 HydrophobicContact CE1-CD1 3.94Å; Y236-L245 HydrophobicContact CE2-CD1 3.77Å; Y236-L245 HydrophobicContact CG-CD1 4.27Å; F241-L245 HydrophobicContact CE2-CG 4.13Å; F241-L245 HydrophobicContact CZ-CD1 4.21Å; F241-L245 HydrophobicContact CZ-CD2 4.4Å; F241-L245 HydrophobicContact CZ-CG 3.96Å; L245-W247 HydrophobicContact CB-CZ2 4.28Å; L245-W247 HydrophobicContact CD1-CH2 4.08Å; L245-W247 HydrophobicContact CD1-CZ2 3.66Å; L245-Y379 HydrophobicContact CD2-CD1 4.34Å; L245-V381 HydrophobicContact CD1-CG2 3.89Å; L245-V381 HydrophobicContact CD2-CG2 3.78Å; L245-A392 HydrophobicContact CD2-CB 3.97Å
246S98.3Very high95.2Very high23 Ų2348.6 Ų48.616%0.16129%0.285CS..EExtended strand (participates in β ladder)trans-88.3112.5166.2178.40000108.8S244 Y332 G390 L391S244-S246 PolarHBondContact O-N 2.84Å; S246-Y332 WeakPolarHBondContact CB-OH 3.47Å; S246-Y332 PolarHBondContact OG-OH 2.85Å; S246-G390 WeakPolarHBondContact O-CA 3.46Å; S246-L391 PolarHBondContact N-O 3.36Å; S246-L391 PolarHBondContact O-N 2.94Å
247W98.6Very high95.2Very high65 Ų6547.2 Ų47.225%0.24628%0.28CS..EExtended strand (participates in β ladder)trans-86.5129.1-178.9-66.2104.6000111.6Y236 L245 N328 V381 D383 R388 V389 G390Y236-W247 HydrophobicContact CE1-CZ2 4.47Å; L245-W247 HydrophobicContact CB-CZ2 4.28Å; L245-W247 HydrophobicContact CD1-CH2 4.08Å; L245-W247 HydrophobicContact CD1-CZ2 3.66Å; W247-N328 PolarHBondContact O-ND2 2.67Å; W247-V381 HydrophobicContact CH2-CB 4.17Å; W247-V381 HydrophobicContact CH2-CG1 3.78Å; W247-V381 HydrophobicContact CZ3-CB 4.25Å; W247-V381 HydrophobicContact CZ3-CG1 4.09Å; W247-D383 HydrophobicContact CH2-CB 4.42Å; W247-D383 HydrophobicContact CZ3-CB 3.85Å; W247-R388 HydrophobicContact CD2-CG 4.48Å; W247-R388 HydrophobicContact CE3-CB 4.49Å; W247-R388 HydrophobicContact CE3-CG 3.66Å; W247-R388 HydrophobicContact CZ3-CG 4.13Å; W247-V389 CarbonylContact C-O 3.52Å; W247-V389 WeakPolarHBondContact CA-O 3.17Å; W247-G390 VanDerWaalsContact CE3-CA 3.48Å
248V98.7Very high95.4Very high4 Ų446.2 Ų46.22%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-125.1121.7-176.1-171.70000108.7I258 I327 N328 R388 V389V248-I258 HydrophobicContact CB-CG2 4.34Å; V248-I258 HydrophobicContact CG1-CB 3.86Å; V248-I258 HydrophobicContact CG1-CG2 3.95Å; V248-I327 HydrophobicContact CB-CG2 4.32Å; V248-I327 HydrophobicContact CG1-CG2 3.77Å; V248-I327 HydrophobicContact CG2-CG2 3.67Å; V248-N328 HydrophobicContact CG1-CB 4.45Å; V248-N328 HydrophobicContact CG2-CB 4.1Å; V248-R388 CarbonylContact O-C 3.39Å; V248-R388 WeakPolarHBondContact O-CA 3.48Å; V248-R388 VanDerWaalsContact O-CB 3.26Å; V248-R388 WeakPolarHBondContact O-CB 3.41Å; V248-V389 PolarHBondContact N-O 2.88Å; V248-V389 PolarHBondContact O-N 2.74Å
249P98.6Very high95.6Very high81 Ų8142.8 Ų42.853%0.52627%0.265SS..EExtended strand (participates in β ladder)trans-66.6142.6-177.828-34.4000111.5T251P249-T251 PolarHBondContact O-N 3.13Å
250V98.4Very high95.9Very high21 Ų2139.3 Ų39.313%0.12724%0.24CC..EExtended strand (participates in β ladder)trans-70.4125.6169.7169.80000108.7K252 Q253 W256 Q257 N387 V389V250-K252 WeakPolarHBondContact CG1-O 3.48Å; V250-Q253 HydrophobicContact CG1-CG 4.48Å; V250-W256 HydrophobicContact CG2-CE3 3.9Å; V250-W256 HydrophobicContact CG2-CZ3 4.31Å; V250-Q257 CarbonylContact C-O 3.58Å; V250-Q257 WeakPolarHBondContact CA-O 3.31Å; V250-N387 HydrophobicContact CB-CB 4.47Å; V250-N387 WeakPolarHBondContact CB-O 3.49Å; V250-N387 PolarHBondContact N-O 3.48Å; V250-V389 HydrophobicContact CG2-CG2 4.49Å
251T96.5Very high96.1Very high67 Ų6741.4 Ų41.441%0.41125%0.252SS..EExtended strand (participates in β ladder)trans-85.8-27.6-175.653.80000112.9P249 Q257 A259 Q277P249-T251 PolarHBondContact O-N 3.13Å; T251-Q257 PolarHBondContact N-O 3.5Å; T251-Q257 PolarHBondContact OG1-NE2 2.8Å; T251-Q257 VanDerWaalsContact OG1-NE2 3.11Å; T251-Q257 PolarHBondContact OG1-O 2.85Å; T251-A259 HydrophobicContact CG2-CB 4.01Å; T251-Q277 VanDerWaalsContact CB-OE1 3.28Å; T251-Q277 PolarHBondContact OG1-OE1 2.96Å
252K93Very high96.3Very high85 Ų8542.2 Ų42.237%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-147.9116.8177.2-173.8179179.3-175.30110V250V250-K252 WeakPolarHBondContact CG1-O 3.48Å
253Q91.9Very high96.5Very high115 Ų11539.5 Ų39.554%0.53724%0.238SC..THydrogen-bonded Turntrans-69.3135.3176.2-65.4178.512.700110.5Y189 V250 N387Y189-Q253 HydrophobicContact CD1-CB 3.98Å; Y189-Q253 HydrophobicContact CD1-CG 4.12Å; Y189-Q253 HydrophobicContact CE1-CB 4.24Å; Y189-Q253 HydrophobicContact CE1-CG 3.89Å; Y189-Q253 HydrophobicContact CG-CB 4.37Å; V250-Q253 HydrophobicContact CG1-CG 4.48Å; Q253-N387 PolarHBondContact NE2-OD1 2.98Å
254G88.9Confident96.7Very high5 Ų538 Ų385%0.05221%0.21CC..THydrogen-bonded Turntrans145.8-88.1-166.700000106.7Y189 S191 L192Y189-G254 WeakPolarHBondContact CB-O 3.39Å; Y189-G254 VanDerWaalsContact CD2-O 3.27Å; Y189-G254 WeakPolarHBondContact CD2-O 3.35Å; Y189-G254 PolarHBondContact N-O 2.78Å; S191-G254 WeakPolarHBondContact OG-CA 3.42Å; L192-G254 WeakPolarHBondContact CD1-O 3.18Å
255Y91.3Very high96.9Very high29 Ų2933.8 Ų33.811%0.11418%0.18CC..THydrogen-bonded Turntrans-83.1170.9165.8-56.3-77.1000111G98 L192 Q257 I279G98-Y255 VanDerWaalsContact O-CD1 3.31Å; G98-Y255 WeakPolarHBondContact O-CD1 3.21Å; G98-Y255 WeakPolarHBondContact O-CE1 3.42Å; L192-Y255 HydrophobicContact CD1-CD1 3.56Å; L192-Y255 HydrophobicContact CD1-CD2 4.46Å; L192-Y255 HydrophobicContact CD1-CE1 3.6Å; L192-Y255 HydrophobicContact CD1-CE2 4.48Å; L192-Y255 HydrophobicContact CD1-CG 4.01Å; L192-Y255 HydrophobicContact CD2-CD2 4.42Å; L192-Y255 HydrophobicContact CD2-CE1 4.35Å; L192-Y255 HydrophobicContact CD2-CE2 4Å; Y255-Q257 PolarHBondContact O-N 2.92Å; Y255-I279 HydrophobicContact CD1-CD1 3.94Å; Y255-I279 HydrophobicContact CD2-CD1 3.69Å; Y255-I279 HydrophobicContact CE2-CD1 4.32Å; Y255-I279 HydrophobicContact CG-CD1 3.49Å; Y255-I279 VanDerWaalsContact CG-CD1 3.49Å; Y255-I279 HydrophobicContact CG-CG1 4.18Å; Y255-I279 HydrophobicContact CG-CG2 4.47Å
256W96.9Very high96.8Very high0 Ų035.2 Ų35.20%020%0.2CC..THydrogen-bonded Turntrans-77.961.3164.9-66.596.2000110.7L187 Y189 F215 V250 V280 F382 R384 V389L187-W256 PolarHBondContact O-NE1 2.78Å; Y189-W256 AromaticContact CE2-CD2 3.74Å; Y189-W256 HydrophobicContact CE2-CD2 3.74Å; Y189-W256 AromaticContact CE2-CE2 3.81Å; Y189-W256 AromaticContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CG 4.37Å; Y189-W256 HydrophobicContact CE2-CH2 4.15Å; Y189-W256 HydrophobicContact CE2-CZ2 4.02Å; Y189-W256 HydrophobicContact CE2-CZ3 4.06Å; Y189-W256 AromaticContact CZ-CZ3 4Å; Y189-W256 WeakPolarHBondContact OH-CZ3 3.37Å; F215-W256 AromaticContact CE1-CZ2 3.78Å; F215-W256 HydrophobicContact CE1-CZ2 3.78Å; F215-W256 AromaticContact CZ-CZ2 3.97Å; F215-W256 HydrophobicContact CZ-CZ2 3.97Å; V250-W256 HydrophobicContact CG2-CE3 3.9Å; V250-W256 HydrophobicContact CG2-CZ3 4.31Å; W256-V280 PolarHBondContact O-N 2.75Å; W256-V280 VanDerWaalsContact O-N 3.15Å; W256-F382 HydrophobicContact CB-CD1 4.11Å; W256-F382 HydrophobicContact CB-CE1 4.09Å; W256-F382 AromaticContact CD1-CD1 3.94Å; W256-F382 HydrophobicContact CD2-CB 4.25Å; W256-F382 AromaticContact CD2-CD1 3.48Å; W256-F382 HydrophobicContact CD2-CD1 3.48Å; W256-F382 VanDerWaalsContact CD2-CD1 3.48Å; W256-F382 HydrophobicContact CD2-CE1 4.31Å; W256-F382 HydrophobicContact CD2-CG 4.33Å; W256-F382 AromaticContact CE2-CD1 3.78Å; W256-F382 HydrophobicContact CE3-CB 4.24Å; W256-F382 AromaticContact CE3-CD1 3.86Å; W256-F382 HydrophobicContact CE3-CD1 3.86Å; W256-F382 AromaticContact CG-CD1 3.58Å; W256-F382 HydrophobicContact CG-CD1 3.58Å; W256-F382 AromaticContact CG-CE1 3.93Å; W256-F382 HydrophobicContact CG-CE1 3.93Å; W256-F382 HydrophobicContact CH2-CB 3.67Å; W256-F382 HydrophobicContact CZ2-CB 3.71Å; W256-F382 HydrophobicContact CZ2-CD1 4.38Å; W256-F382 HydrophobicContact CZ2-CG 4.49Å; W256-F382 HydrophobicContact CZ3-CB 3.95Å; W256-F382 HydrophobicContact CZ3-CD1 4.44Å; W256-R384 HydrophobicContact CH2-CG 3.67Å; W256-R384 HydrophobicContact CZ2-CG 3.87Å; W256-V389 HydrophobicContact CB-CG2 4.33Å; W256-V389 HydrophobicContact CE3-CG2 3.88Å
257Q97.1Very high96.8Very high16 Ų1636.8 Ų36.88%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-82.9128.2-175.2-168.2-173.5-60.900111.3V250 T251 Y255 Q277 A278 I279 L367V250-Q257 CarbonylContact C-O 3.58Å; V250-Q257 WeakPolarHBondContact CA-O 3.31Å; T251-Q257 PolarHBondContact N-O 3.5Å; T251-Q257 PolarHBondContact OG1-NE2 2.8Å; T251-Q257 VanDerWaalsContact OG1-NE2 3.11Å; T251-Q257 PolarHBondContact OG1-O 2.85Å; Y255-Q257 PolarHBondContact O-N 2.92Å; Q257-Q277 HydrophobicContact CG-CB 4.36Å; Q257-A278 CarbonylContact C-O 3.55Å; Q257-A278 VanDerWaalsContact CA-O 3.28Å; Q257-A278 WeakPolarHBondContact CA-O 3.5Å; Q257-I279 HydrophobicContact CB-CG1 4.37Å; Q257-I279 HydrophobicContact CG-CG1 4.45Å; Q257-L367 HydrophobicContact CG-CD2 4.37Å
258I98.3Very high96.7Very high0 Ų038.1 Ų38.10%024%0.235CC..EExtended strand (participates in β ladder)trans-126.3160.1179.159.8173.7000111.3V248 A278 V280 I327 V389V248-I258 HydrophobicContact CB-CG2 4.34Å; V248-I258 HydrophobicContact CG1-CB 3.86Å; V248-I258 HydrophobicContact CG1-CG2 3.95Å; I258-A278 HydrophobicContact CG1-CB 4.4Å; I258-A278 PolarHBondContact N-O 3.02Å; I258-A278 PolarHBondContact O-N 3.23Å; I258-V280 HydrophobicContact CD1-CG2 3.82Å; I258-V280 HydrophobicContact CG1-CG2 4.4Å; I258-I327 HydrophobicContact CD1-CD1 4.1Å; I258-I327 HydrophobicContact CD1-CG2 3.94Å; I258-V389 HydrophobicContact CG2-CB 4.21Å; I258-V389 HydrophobicContact CG2-CG2 3.97Å
259A98.3Very high96.7Very high36 Ų3641.3 Ų41.330%0.29826%0.255SS..EExtended strand (participates in β ladder)trans-77.2136.1170.500000110.7T251T251-A259 HydrophobicContact CG2-CB 4.01Å
260L98.2Very high96.7Very high0 Ų041 Ų410%025%0.247CC..EExtended strand (participates in β ladder)trans-116121.6175.3178.665000108.5I263 G275 C276 A278 F325 T326 I327 W368L260-I263 HydrophobicContact CD2-CD1 3.8Å; L260-I263 HydrophobicContact CD2-CG1 3.73Å; L260-I263 HydrophobicContact CG-CG1 4.4Å; L260-G275 CarbonylContact O-C 3.44Å; L260-G275 VanDerWaalsContact O-CA 3.28Å; L260-G275 WeakPolarHBondContact O-CA 3.43Å; L260-C276 PolarHBondContact N-O 3.13Å; L260-C276 PolarHBondContact O-N 2.93Å; L260-A278 HydrophobicContact CB-CB 4.24Å; L260-A278 HydrophobicContact CD2-CB 4.34Å; L260-F325 HydrophobicContact CD1-CB 3.92Å; L260-F325 HydrophobicContact CD1-CD1 4.04Å; L260-F325 HydrophobicContact CD2-CD1 3.94Å; L260-F325 HydrophobicContact CD2-CE1 4.49Å; L260-T326 WeakPolarHBondContact CD1-O 3.32Å; L260-I327 HydrophobicContact CD1-CD1 4.28Å; L260-I327 HydrophobicContact CD1-CG1 3.5Å; L260-I327 VanDerWaalsContact CD1-CG1 3.5Å; L260-W368 HydrophobicContact CD2-CG 4.42Å
261D98.6Very high96.7Very high57 Ų5740.5 Ų40.531%0.30524%0.243SC..  trans-79.1-39.3-169-58.6-28.3000112.6C272 T326 N328 G329D261-C272 CarbonylContact C-O 3.59Å; D261-T326 HydrophobicContact CB-CG2 4.07Å; D261-T326 VanDerWaalsContact CB-O 3.31Å; D261-T326 WeakPolarHBondContact CB-O 3.47Å; D261-T326 PolarHBondContact N-O 3.33Å; D261-N328 PolarHBondContact OD2-N 2.72Å; D261-G329 PolarHBondContact OD2-N 3.06Å
262N98.6Very high96.7Very high29 Ų2938.4 Ų38.416%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-170.516417458.886.1000110.9Q264 V269 C272 T326N262-Q264 WeakPolarHBondContact OD1-CG 3.28Å; N262-Q264 PolarHBondContact OD1-NE2 3.26Å; N262-V269 HydrophobicContact CB-CG1 3.94Å; N262-V269 HydrophobicContact CB-CG2 4.32Å; N262-C272 WeakPolarHBondContact CA-O 3.49Å; N262-T326 WeakPolarHBondContact ND2-CB 3.23Å; N262-T326 PolarHBondContact O-N 3.42Å; N262-T326 PolarHBondContact OD1-OG1 2.95Å
263I98.8Very high96.9Very high0 Ų039.1 Ų39.10%025%0.246CC..EExtended strand (participates in β ladder)trans-121.5127.3169.8-52.6171.7000108.7L260 M270 F271 V323 T324 F325 W368L260-I263 HydrophobicContact CD2-CD1 3.8Å; L260-I263 HydrophobicContact CD2-CG1 3.73Å; L260-I263 HydrophobicContact CG-CG1 4.4Å; I263-M270 PolarHBondContact O-N 3.1Å; I263-F271 HydrophobicContact CB-CB 4.09Å; I263-F271 HydrophobicContact CB-CD2 4.07Å; I263-F271 HydrophobicContact CD1-CB 4.23Å; I263-F271 HydrophobicContact CG1-CB 4.48Å; I263-F271 HydrophobicContact CG2-CD2 4.06Å; I263-F271 PolarHBondContact N-O 3.45Å; I263-F271 PolarHBondContact O-N 2.62Å; I263-V323 HydrophobicContact CG2-CG1 4.09Å; I263-T324 CarbonylContact C-O 3.56Å; I263-T324 WeakPolarHBondContact CA-O 3.15Å; I263-F325 HydrophobicContact CD1-CD1 4.11Å; I263-F325 HydrophobicContact CD1-CE1 3.72Å; I263-F325 HydrophobicContact CG1-CD1 3.87Å; I263-F325 HydrophobicContact CG1-CE1 3.95Å; I263-F325 HydrophobicContact CG2-CE1 4.24Å; I263-F325 HydrophobicContact CG2-CZ 4.4Å; I263-W368 HydrophobicContact CD1-CD2 3.61Å; I263-W368 HydrophobicContact CD1-CE3 3.86Å; I263-W368 HydrophobicContact CD1-CG 4.31Å; I263-W368 HydrophobicContact CD1-CH2 3.65Å; I263-W368 HydrophobicContact CD1-CZ2 3.37Å; I263-W368 HydrophobicContact CD1-CZ3 3.88Å
264Q98.8Very high97.1Very high46 Ų4642.9 Ų42.922%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-111142.8178.2-58173.738.500110.9N262 T268 V269 V323 T324N262-Q264 WeakPolarHBondContact OD1-CG 3.28Å; N262-Q264 PolarHBondContact OD1-NE2 3.26Å; Q264-T268 CarbonylContact C-O 3.56Å; Q264-T268 WeakPolarHBondContact CA-O 3.4Å; Q264-V269 HydrophobicContact CG-CB 4.38Å; Q264-V269 HydrophobicContact CG-CG2 3.7Å; Q264-V323 CarbonylContact O-C 3.37Å; Q264-V323 WeakPolarHBondContact O-CA 3.4Å; Q264-T324 PolarHBondContact N-O 3.42Å; Q264-T324 PolarHBondContact O-N 2.89Å
265V98.6Very high97.4Very high10 Ų1044.4 Ų44.46%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-123.2123.3169.1-173.70000107.4G267 T268 M270 F271 A300 I301 P321 V323V265-G267 PolarHBondContact O-N 3.15Å; V265-T268 PolarHBondContact N-O 2.86Å; V265-T268 PolarHBondContact O-N 3.15Å; V265-T268 VanDerWaalsContact O-N 3.12Å; V265-M270 HydrophobicContact CB-CG 4.29Å; V265-M270 HydrophobicContact CB-SD 3.53Å; V265-M270 VanDerWaalsContact CB-SD 3.53Å; V265-M270 HydrophobicContact CG1-SD 4.35Å; V265-M270 HydrophobicContact CG2-CB 4.45Å; V265-M270 HydrophobicContact CG2-CG 4.28Å; V265-M270 HydrophobicContact CG2-SD 3.61Å; V265-F271 HydrophobicContact CG2-CE2 4.4Å; V265-A300 HydrophobicContact CG1-CB 4.05Å; V265-I301 HydrophobicContact CG1-CG2 4.23Å; V265-P321 HydrophobicContact CG1-CB 4.05Å; V265-P321 HydrophobicContact CG1-CG 3.69Å; V265-V323 HydrophobicContact CG1-CG2 4.49Å; V265-V323 HydrophobicContact CG2-CG2 4.45Å
266G97.3Very high97.7Very high50 Ų5044.5 Ų44.552%0.51528%0.284SS..THydrogen-bonded Turntrans5833.9-176.700000113.3T268 D322G266-T268 VanDerWaalsContact C-N 3.31Å; G266-T268 PolarHBondContact O-N 2.87Å; G266-D322 PolarHBondContact N-O 2.9Å
267G96.8Very high97.7Very high57 Ų5747.1 Ų47.159%0.58830%0.297SS*.THydrogen-bonded Turntrans784.9-179.300000115.7V265V265-G267 PolarHBondContact O-N 3.15Å
268T98Very high97.7Very high93 Ų9346.4 Ų46.457%0.57129%0.293SS*.EExtended strand (participates in β ladder)trans-106.1127.4175.5-59.20000110.3Q264 V265 G266 M270Q264-T268 CarbonylContact C-O 3.56Å; Q264-T268 WeakPolarHBondContact CA-O 3.4Å; V265-T268 PolarHBondContact N-O 2.86Å; V265-T268 PolarHBondContact O-N 3.15Å; V265-T268 VanDerWaalsContact O-N 3.12Å; G266-T268 VanDerWaalsContact C-N 3.31Å; G266-T268 PolarHBondContact O-N 2.87Å; T268-M270 PolarHBondContact O-N 2.65Å; T268-M270 VanDerWaalsContact O-N 3.11Å
269V98.4Very high97.6Very high71 Ų7146.6 Ų46.643%0.4329%0.294SS..EExtended strand (participates in β ladder)trans-62.5112.3172.5175.90000109.2N262 Q264N262-V269 HydrophobicContact CB-CG1 3.94Å; N262-V269 HydrophobicContact CB-CG2 4.32Å; Q264-V269 HydrophobicContact CG-CB 4.38Å; Q264-V269 HydrophobicContact CG-CG2 3.7Å
270M98.2Very high97.5Very high75 Ų7544.9 Ų44.937%0.36928%0.28SS..EExtended strand (participates in β ladder)trans-105.5-32.7179.4-73.2-167.163.400112.4I263 V265 T268 A300I263-M270 PolarHBondContact O-N 3.1Å; V265-M270 HydrophobicContact CB-CG 4.29Å; V265-M270 HydrophobicContact CB-SD 3.53Å; V265-M270 VanDerWaalsContact CB-SD 3.53Å; V265-M270 HydrophobicContact CG1-SD 4.35Å; V265-M270 HydrophobicContact CG2-CB 4.45Å; V265-M270 HydrophobicContact CG2-CG 4.28Å; V265-M270 HydrophobicContact CG2-SD 3.61Å; T268-M270 PolarHBondContact O-N 2.65Å; T268-M270 VanDerWaalsContact O-N 3.11Å; M270-A300 HydrophobicContact CE-CB 3.99Å; M270-A300 HydrophobicContact SD-CB 3.95Å
271F98.1Very high97.4Very high10 Ų1045.1 Ų45.14%0.04428%0.281CS..EExtended strand (participates in β ladder)trans-136.5161.7-175.2-41.9-67.1000112.2I263 V265 S273 K293 Q296 L297 W368I263-F271 HydrophobicContact CB-CB 4.09Å; I263-F271 HydrophobicContact CB-CD2 4.07Å; I263-F271 HydrophobicContact CD1-CB 4.23Å; I263-F271 HydrophobicContact CG1-CB 4.48Å; I263-F271 HydrophobicContact CG2-CD2 4.06Å; I263-F271 PolarHBondContact N-O 3.45Å; I263-F271 PolarHBondContact O-N 2.62Å; V265-F271 HydrophobicContact CG2-CE2 4.4Å; F271-S273 PolarHBondContact O-N 3.11Å; F271-K293 HydrophobicContact CD1-CB 4.02Å; F271-K293 HydrophobicContact CD1-CD 3.86Å; F271-K293 HydrophobicContact CD1-CG 4.23Å; F271-K293 HydrophobicContact CE1-CB 4.03Å; F271-K293 HydrophobicContact CE1-CD 4.11Å; F271-K293 WeakPolarHBondContact CZ-O 3.28Å; F271-Q296 HydrophobicContact CE1-CB 3.97Å; F271-Q296 HydrophobicContact CZ-CB 3.95Å; F271-L297 HydrophobicContact CE2-CB 3.87Å; F271-L297 HydrophobicContact CE2-CD1 4.07Å; F271-L297 HydrophobicContact CE2-CG 4.33Å; F271-L297 HydrophobicContact CZ-CB 4.01Å; F271-W368 HydrophobicContact CB-CZ2 4.31Å; F271-W368 HydrophobicContact CD2-CH2 4.29Å; F271-W368 HydrophobicContact CD2-CZ2 4.35Å; F271-W368 HydrophobicContact CG-CZ2 4.33Å
272C96.9Very high97.2Very high23 Ų2342.9 Ų42.916%0.15527%0.27CS..  trans53.438.5177.9-57.50000113.2D261 N262 E274 G275 C276D261-C272 CarbonylContact C-O 3.59Å; N262-C272 WeakPolarHBondContact CA-O 3.49Å; C272-E274 PolarHBondContact O-N 3.4Å; C272-G275 WeakPolarHBondContact O-CA 3.18Å; C272-G275 PolarHBondContact O-N 3.24Å; C272-C276 HydrophobicContact CB-CB 3.7Å; C272-C276 WeakPolarHBondContact CB-SG 3.23Å; C272-C276 WeakPolarHBondContact SG-CB 3.23Å; C272-C276 CovalentContact SG-SG 2.03Å; C272-C276 PolarHBondContact SG-SG 3.24Å
273S96.9Very high96.7Very high99 Ų9941.9 Ų41.969%0.69227%0.266SS*.THydrogen-bonded Turntrans-61.8-24.5-178.554.60000114F271F271-S273 PolarHBondContact O-N 3.11Å
274E96.1Very high96.1Very high195 Ų19541.9 Ų41.991%0.91127%0.266SS*.THydrogen-bonded Turntrans-100.812.8175.2-59.7-173.9162.300112.2C272C272-E274 PolarHBondContact O-N 3.4Å
275G96.4Very high95.5Very high37 Ų3740.1 Ų40.138%0.38126%0.259SS..  trans79.5156-167.200000112.9L260 C272L260-G275 CarbonylContact O-C 3.44Å; L260-G275 VanDerWaalsContact O-CA 3.28Å; L260-G275 WeakPolarHBondContact O-CA 3.43Å; C272-G275 WeakPolarHBondContact O-CA 3.18Å; C272-G275 PolarHBondContact O-N 3.24Å
276C96.9Very high95.2Very high30 Ų3039.8 Ų39.820%0.20326%0.257CS..EExtended strand (participates in β ladder)trans-149.7-167.6171.665.20000109.5L260 C272L260-C276 PolarHBondContact N-O 3.13Å; L260-C276 PolarHBondContact O-N 2.93Å; C272-C276 HydrophobicContact CB-CB 3.7Å; C272-C276 WeakPolarHBondContact CB-SG 3.23Å; C272-C276 WeakPolarHBondContact SG-CB 3.23Å; C272-C276 CovalentContact SG-SG 2.03Å; C272-C276 PolarHBondContact SG-SG 3.24Å
277Q96.1Very high95.1Very high56 Ų5637.4 Ų37.426%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-121.4143.4-177.7-63.3-61.6-70.500109.6T251 Q257 L367 W368T251-Q277 VanDerWaalsContact CB-OE1 3.28Å; T251-Q277 PolarHBondContact OG1-OE1 2.96Å; Q257-Q277 HydrophobicContact CG-CB 4.36Å; Q277-L367 HydrophobicContact CB-CD2 3.35Å; Q277-L367 HydrophobicContact CG-CD2 4.47Å; Q277-W368 PolarHBondContact O-N 3.47Å
278A96.8Very high94.9Very high0 Ų034.7 Ų34.70%020%0.204CC..EExtended strand (participates in β ladder)trans-134.9150.1177.400000110.8Q257 I258 L260 W368 L370Q257-A278 CarbonylContact C-O 3.55Å; Q257-A278 VanDerWaalsContact CA-O 3.28Å; Q257-A278 WeakPolarHBondContact CA-O 3.5Å; I258-A278 HydrophobicContact CG1-CB 4.4Å; I258-A278 PolarHBondContact N-O 3.02Å; I258-A278 PolarHBondContact O-N 3.23Å; L260-A278 HydrophobicContact CB-CB 4.24Å; L260-A278 HydrophobicContact CD2-CB 4.34Å; A278-W368 CarbonylContact C-O 3.51Å; A278-W368 WeakPolarHBondContact CA-O 3.37Å; A278-W368 HydrophobicContact CB-CB 4.08Å; A278-L370 HydrophobicContact CB-CD1 4.26Å; A278-L370 HydrophobicContact CB-CG 4.22Å
279I96.5Very high94.7Very high5 Ų530.3 Ų30.33%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-105.9135.3169.6-63.1168.8000108Y255 Q257 D281 L367 W368 I369 L370Y255-I279 HydrophobicContact CD1-CD1 3.94Å; Y255-I279 HydrophobicContact CD2-CD1 3.69Å; Y255-I279 HydrophobicContact CE2-CD1 4.32Å; Y255-I279 HydrophobicContact CG-CD1 3.49Å; Y255-I279 VanDerWaalsContact CG-CD1 3.49Å; Y255-I279 HydrophobicContact CG-CG1 4.18Å; Y255-I279 HydrophobicContact CG-CG2 4.47Å; Q257-I279 HydrophobicContact CB-CG1 4.37Å; Q257-I279 HydrophobicContact CG-CG1 4.45Å; I279-D281 HydrophobicContact CG2-CB 4.16Å; I279-L367 HydrophobicContact CD1-CD1 3.74Å; I279-L367 HydrophobicContact CG1-CD1 4.33Å; I279-W368 PolarHBondContact N-O 3.36Å; I279-I369 CarbonylContact O-C 3.59Å; I279-I369 WeakPolarHBondContact O-CA 3.36Å; I279-L370 PolarHBondContact O-N 2.95Å
280V97.6Very high94.4Very high0 Ų027.9 Ų27.90%016%0.163CC..EExtended strand (participates in β ladder)trans-89.9119.6167-175.20000108.1T97 W256 I258 L370 I375 F382 V389T97-V280 PolarHBondContact OG1-O 2.92Å; W256-V280 PolarHBondContact O-N 2.75Å; W256-V280 VanDerWaalsContact O-N 3.15Å; I258-V280 HydrophobicContact CD1-CG2 3.82Å; I258-V280 HydrophobicContact CG1-CG2 4.4Å; V280-L370 HydrophobicContact CG2-CD1 4.4Å; V280-I375 HydrophobicContact CG1-CD1 4.01Å; V280-I375 HydrophobicContact CG1-CG1 4.18Å; V280-F382 HydrophobicContact CB-CE1 4.15Å; V280-F382 HydrophobicContact CG1-CE1 3.95Å; V280-F382 HydrophobicContact CG1-CZ 3.82Å; V280-V389 HydrophobicContact CG2-CG1 4.33Å
281D94.9Very high94Very high4 Ų425.2 Ų25.22%0.02115%0.152CC..  trans-137.6112.1-165.3-171.514.8000114.5T97 G98 I279 G283 T284 I369 L370 G371T97-D281 VanDerWaalsContact OG1-CA 3.26Å; T97-D281 WeakPolarHBondContact OG1-CA 3.48Å; T97-D281 PolarHBondContact OG1-OD1 3.25Å; G98-D281 WeakPolarHBondContact CA-OD1 3.46Å; G98-D281 PolarHBondContact N-OD1 3.15Å; I279-D281 HydrophobicContact CG2-CB 4.16Å; D281-G283 VanDerWaalsContact C-N 3.32Å; D281-G283 WeakPolarHBondContact OD1-CA 3.41Å; D281-G283 PolarHBondContact OD1-N 3.44Å; D281-T284 VanDerWaalsContact OD2-CB 3.32Å; D281-T284 WeakPolarHBondContact OD2-CB 3.41Å; D281-T284 PolarHBondContact OD2-OG1 3.04Å; D281-I369 HydrophobicContact CB-CG2 3.45Å; D281-I369 VanDerWaalsContact CB-CG2 3.45Å; D281-L370 PolarHBondContact N-O 2.86Å; D281-G371 WeakPolarHBondContact O-CA 3.15Å
282T93.8Very high93.7Very high10 Ų1028.6 Ų28.66%0.06117%0.171CC..THydrogen-bonded Turntrans-77.9-12.517261.20000114.1F95 T97 V217 M219 I375 F382F95-T282 WeakPolarHBondContact O-CB 3Å; F95-T282 PolarHBondContact O-OG1 3.35Å; T97-T282 HydrophobicContact CG2-CG2 4.1Å; T97-T282 PolarHBondContact N-OG1 2.91Å; T97-T282 PolarHBondContact OG1-N 3.16Å; T97-T282 PolarHBondContact OG1-OG1 3.34Å; V217-T282 HydrophobicContact CB-CG2 4.46Å; V217-T282 HydrophobicContact CG1-CG2 4.25Å; V217-T282 HydrophobicContact CG2-CG2 4.04Å; M219-T282 HydrophobicContact CE-CG2 4.08Å; T282-I375 HydrophobicContact CG2-CD1 3.85Å; T282-F382 HydrophobicContact CG2-CZ 4.47Å
283G88Confident93.6Very high8 Ų831.1 Ų31.18%0.08218%0.179CC..THydrogen-bonded Turntrans-82.91.3173.600000113.8M76 D96 D281M76-G283 VanDerWaalsContact CE-O 3.31Å; M76-G283 WeakPolarHBondContact CE-O 3.39Å; D96-G283 VanDerWaalsContact OD1-CA 3.27Å; D96-G283 WeakPolarHBondContact OD1-CA 3.41Å; D281-G283 VanDerWaalsContact C-N 3.32Å; D281-G283 WeakPolarHBondContact OD1-CA 3.41Å; D281-G283 PolarHBondContact OD1-N 3.44Å
284T86.2Confident93.6Very high1 Ų126.4 Ų26.41%0.00615%0.146CC..  trans-130.8125.9-177.5-66.20000110.9N72 M76 D281 L286 T288 I369 G371 D372N72-T284 HydrophobicContact CB-CG2 4.24Å; N72-T284 VanDerWaalsContact ND2-CG2 3.34Å; N72-T284 WeakPolarHBondContact ND2-CG2 3.34Å; M76-T284 VanDerWaalsContact CE-C 3.44Å; D281-T284 VanDerWaalsContact OD2-CB 3.32Å; D281-T284 WeakPolarHBondContact OD2-CB 3.41Å; D281-T284 PolarHBondContact OD2-OG1 3.04Å; T284-L286 WeakPolarHBondContact CG2-O 3.33Å; T284-T288 HydrophobicContact CG2-CG2 4.16Å; T284-I369 HydrophobicContact CG2-CG2 4.12Å; T284-G371 CarbonylContact O-C 3.32Å; T284-G371 WeakPolarHBondContact O-CA 3.45Å; T284-D372 PolarHBondContact O-N 3.43Å
285S87.1Confident93.6Very high8 Ų822.8 Ų22.86%0.05613%0.127CC..SBendtrans-77.8-38.3-179.2-59.90000113.9D75 M76 D372 V373D75-S285 WeakPolarHBondContact O-CB 3.34Å; D75-S285 PolarHBondContact O-OG 3.27Å; M76-S285 WeakPolarHBondContact CE-OG 3.43Å; M76-S285 PolarHBondContact N-OG 2.98Å; S285-D372 WeakPolarHBondContact O-CB 3.46Å; S285-D372 PolarHBondContact O-N 3.27Å; S285-V373 WeakPolarHBondContact O-CG2 3.41Å; S285-V373 PolarHBondContact O-N 2.9Å
286L91.9Very high93.6Very high3 Ų325.1 Ų25.12%0.01613%0.128CC..SBendtrans-94.6162.7-171.6-50.7-171.7000111.4T284 L341 Q356T284-L286 WeakPolarHBondContact CG2-O 3.33Å; L286-L341 HydrophobicContact CD2-CD1 3.4Å; L286-L341 VanDerWaalsContact CD2-CD1 3.4Å; L286-Q356 HydrophobicContact CB-CB 4.46Å; L286-Q356 HydrophobicContact CD1-CB 3.87Å; L286-Q356 VanDerWaalsContact CD1-OE1 3.26Å
287I95.5Very high93.7Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-82.9125.5164.5-66.4168.5000108.2F325 L334 G354 F355 Q356 W368 I369 L370 V373 F374I287-F325 HydrophobicContact CD1-CE2 4.03Å; I287-F325 HydrophobicContact CD1-CZ 4.12Å; I287-F325 HydrophobicContact CG2-CE1 4.36Å; I287-F325 HydrophobicContact CG2-CZ 3.9Å; I287-L334 HydrophobicContact CD1-CD1 3.33Å; I287-G354 PolarHBondContact N-O 3.34Å; I287-F355 HydrophobicContact CB-CD1 3.76Å; I287-F355 HydrophobicContact CB-CE1 3.96Å; I287-F355 HydrophobicContact CD1-CE1 3.88Å; I287-F355 HydrophobicContact CG2-CD1 3.82Å; I287-F355 HydrophobicContact CG2-CE1 3.93Å; I287-F355 CarbonylContact O-C 3.4Å; I287-F355 VanDerWaalsContact O-CA 3.27Å; I287-F355 WeakPolarHBondContact O-CA 3.3Å; I287-Q356 PolarHBondContact O-N 3.18Å; I287-W368 HydrophobicContact CG2-CE3 4.19Å; I287-W368 HydrophobicContact CG2-CZ3 4.47Å; I287-I369 CarbonylContact C-O 3.5Å; I287-I369 VanDerWaalsContact CA-O 3.28Å; I287-I369 WeakPolarHBondContact CA-O 3.11Å; I287-L370 HydrophobicContact CG2-CD2 4.44Å; I287-V373 HydrophobicContact CD1-CB 4.24Å; I287-V373 HydrophobicContact CD1-CG1 3.68Å; I287-V373 HydrophobicContact CG1-CB 4.12Å; I287-V373 HydrophobicContact CG1-CG1 4.09Å; I287-F374 HydrophobicContact CD1-CB 4.23Å; I287-F374 HydrophobicContact CG1-CB 4.4Å
288T92.8Very high93.8Very high1 Ų121 Ų211%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-113.9156.1178.882.20000112.1T284 Q356 L358 W368 I369T284-T288 HydrophobicContact CG2-CG2 4.16Å; T288-Q356 VanDerWaalsContact CA-O 3.24Å; T288-Q356 WeakPolarHBondContact CA-O 3.35Å; T288-L358 HydrophobicContact CG2-CB 4.46Å; T288-L358 HydrophobicContact CG2-CD2 4.48Å; T288-W368 CarbonylContact O-C 3.55Å; T288-W368 VanDerWaalsContact O-CA 3.24Å; T288-W368 WeakPolarHBondContact O-CA 3.47Å; T288-W368 VanDerWaalsContact O-CE3 3.22Å; T288-I369 HydrophobicContact CG2-CB 4.48Å; T288-I369 PolarHBondContact N-O 2.91Å; T288-I369 PolarHBondContact O-N 3.03Å; T288-I369 VanDerWaalsContact OG1-CB 3.23Å; T288-I369 WeakPolarHBondContact OG1-CB 3.34Å; T288-I369 WeakPolarHBondContact OG1-CD1 3.33Å; T288-I369 VanDerWaalsContact OG1-CG1 3.28Å; T288-I369 WeakPolarHBondContact OG1-CG1 3.22Å
289G93.1Very high93.8Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-167.6177.5173.800000111.2S291 I294 Q356 L358G289-S291 PolarHBondContact O-N 3.42Å; G289-I294 WeakPolarHBondContact O-CG1 3.47Å; G289-Q356 PolarHBondContact N-O 3.02Å; G289-L358 CarbonylContact C-O 3.52Å; G289-L358 PolarHBondContact O-N 3.22Å
290P92.3Very high93.8Very high20 Ų2027.9 Ų27.913%0.1315%0.149CC..  trans-53.5134.4-178.2-25.133.6000111.6D292 K293 I294 D359 P366P290-D292 PolarHBondContact O-N 2.98Å; P290-D292 VanDerWaalsContact O-N 3.14Å; P290-K293 HydrophobicContact CB-CG 4.16Å; P290-K293 HydrophobicContact CG-CG 4.49Å; P290-K293 WeakPolarHBondContact O-CA 3.26Å; P290-K293 WeakPolarHBondContact O-CB 3.47Å; P290-K293 PolarHBondContact O-N 3.29Å; P290-I294 PolarHBondContact O-N 3.18Å; P290-D359 WeakPolarHBondContact CA-OD1 3.42Å; P290-P366 HydrophobicContact CG-CB 4.08Å
291S89.9Confident93.8Very high20 Ų2028.1 Ų28.114%0.1415%0.15CC..Hα-helixtrans-59.5-34.6-166.9-59.50000112.6G289 K295 D359G289-S291 PolarHBondContact O-N 3.42Å; S291-K295 WeakPolarHBondContact O-CB 3.38Å; S291-K295 PolarHBondContact O-N 2.83Å; S291-D359 WeakPolarHBondContact CB-OD2 3.48Å; S291-D359 PolarHBondContact N-OD1 3.49Å; S291-D359 PolarHBondContact OG-OD1 3.34Å; S291-D359 PolarHBondContact OG-OD2 2.87Å
292D92.2Very high93.9Very high81 Ų8130.8 Ų30.843%0.43318%0.178SC..Hα-helixtrans-67.2-34.5176.778.2-54.6000112.8P290 Q296P290-D292 PolarHBondContact O-N 2.98Å; P290-D292 VanDerWaalsContact O-N 3.14Å; D292-Q296 WeakPolarHBondContact O-CG 3.4Å; D292-Q296 PolarHBondContact O-N 2.87Å; D292-Q296 PolarHBondContact O-NE2 3.06Å
293K95.7Very high94Very high75 Ų7530.7 Ų30.733%0.32618%0.178SC..Hα-helixtrans-77-42.3176.4-55.8-48.1177.9-148.10111.1F271 P290 K295 Q296 L297 W368F271-K293 HydrophobicContact CD1-CB 4.02Å; F271-K293 HydrophobicContact CD1-CD 3.86Å; F271-K293 HydrophobicContact CD1-CG 4.23Å; F271-K293 HydrophobicContact CE1-CB 4.03Å; F271-K293 HydrophobicContact CE1-CD 4.11Å; F271-K293 WeakPolarHBondContact CZ-O 3.28Å; P290-K293 HydrophobicContact CB-CG 4.16Å; P290-K293 HydrophobicContact CG-CG 4.49Å; P290-K293 WeakPolarHBondContact O-CA 3.26Å; P290-K293 WeakPolarHBondContact O-CB 3.47Å; P290-K293 PolarHBondContact O-N 3.29Å; K293-K295 VanDerWaalsContact C-N 3.33Å; K293-K295 PolarHBondContact O-N 3.02Å; K293-Q296 WeakPolarHBondContact O-CB 3.47Å; K293-Q296 PolarHBondContact O-N 2.91Å; K293-Q296 VanDerWaalsContact O-N 3.12Å; K293-L297 PolarHBondContact O-N 3.18Å; K293-W368 HydrophobicContact CB-CH2 4.42Å; K293-W368 HydrophobicContact CB-CZ2 4.05Å
294I96.1Very high94.3Very high1 Ų132.8 Ų32.81%0.00520%0.195CC..Hα-helixtrans-60.5-45.4175.1-66.6-73.2000110G289 P290 Q296 L297 Q298 F355 Q356 W368G289-I294 WeakPolarHBondContact O-CG1 3.47Å; P290-I294 PolarHBondContact O-N 3.18Å; I294-Q296 PolarHBondContact O-N 3.25Å; I294-L297 CarbonylContact O-C 3.59Å; I294-L297 WeakPolarHBondContact O-CA 3.26Å; I294-L297 WeakPolarHBondContact O-CB 3.22Å; I294-L297 PolarHBondContact O-N 3.39Å; I294-Q298 HydrophobicContact CG2-CG 3.94Å; I294-Q298 VanDerWaalsContact O-CG 3.22Å; I294-Q298 WeakPolarHBondContact O-CG 3.49Å; I294-Q298 PolarHBondContact O-N 3.24Å; I294-F355 HydrophobicContact CD1-CB 4.19Å; I294-Q356 WeakPolarHBondContact CG1-O 3.42Å; I294-W368 HydrophobicContact CD1-CH2 4.06Å; I294-W368 HydrophobicContact CD1-CZ3 3.7Å
295K95.3Very high94.5Very high119 Ų11936.7 Ų36.752%0.51722%0.22SC..Hα-helixtrans-56-39.1175.4-174.2175.5-177.8176.60113S291 K293 N299S291-K295 WeakPolarHBondContact O-CB 3.38Å; S291-K295 PolarHBondContact O-N 2.83Å; K293-K295 VanDerWaalsContact C-N 3.33Å; K293-K295 PolarHBondContact O-N 3.02Å; K295-N299 VanDerWaalsContact O-CG 3.29Å; K295-N299 PolarHBondContact O-N 3.04Å; K295-N299 PolarHBondContact O-ND2 2.93Å
296Q97.4Very high94.5Very high86 Ų8639.3 Ų39.340%0.40224%0.235SC..Hα-helixtrans-67.6-41.8174.7-73.3169.369.900112.1F271 D292 K293 I294 N299 A300F271-Q296 HydrophobicContact CE1-CB 3.97Å; F271-Q296 HydrophobicContact CZ-CB 3.95Å; D292-Q296 WeakPolarHBondContact O-CG 3.4Å; D292-Q296 PolarHBondContact O-N 2.87Å; D292-Q296 PolarHBondContact O-NE2 3.06Å; K293-Q296 WeakPolarHBondContact O-CB 3.47Å; K293-Q296 PolarHBondContact O-N 2.91Å; K293-Q296 VanDerWaalsContact O-N 3.12Å; I294-Q296 PolarHBondContact O-N 3.25Å; Q296-N299 PolarHBondContact O-N 2.03Å; Q296-A300 WeakPolarHBondContact O-CB 3.34Å; Q296-A300 PolarHBondContact O-N 2.97Å
297L98.2Very high93.8Very high0 Ų042.9 Ų42.90%026%0.255CS..Hα-helixtrans-61.2-47.1175.8-174.1153.8000111F271 K293 I294 N299 A300 I301 V323 F355 W368F271-L297 HydrophobicContact CE2-CB 3.87Å; F271-L297 HydrophobicContact CE2-CD1 4.07Å; F271-L297 HydrophobicContact CE2-CG 4.33Å; F271-L297 HydrophobicContact CZ-CB 4.01Å; K293-L297 PolarHBondContact O-N 3.18Å; I294-L297 CarbonylContact O-C 3.59Å; I294-L297 WeakPolarHBondContact O-CA 3.26Å; I294-L297 WeakPolarHBondContact O-CB 3.22Å; I294-L297 PolarHBondContact O-N 3.39Å; L297-N299 VanDerWaalsContact C-N 3.32Å; L297-N299 PolarHBondContact O-N 3.48Å; L297-A300 WeakPolarHBondContact O-CB 3.28Å; L297-A300 PolarHBondContact O-N 3.02Å; L297-I301 HydrophobicContact CD2-CD1 4.07Å; L297-I301 HydrophobicContact CD2-CG1 4.5Å; L297-I301 HydrophobicContact CD2-CG2 4.22Å; L297-I301 PolarHBondContact O-N 3.14Å; L297-V323 HydrophobicContact CD1-CG1 4.46Å; L297-F355 HydrophobicContact CD1-CD1 4.1Å; L297-F355 HydrophobicContact CD1-CE1 4.09Å; L297-F355 HydrophobicContact CD1-CG 4.47Å; L297-F355 HydrophobicContact CD1-CZ 4.44Å; L297-F355 HydrophobicContact CD2-CB 4.08Å; L297-F355 HydrophobicContact CD2-CD1 4.03Å; L297-F355 HydrophobicContact CD2-CD2 3.44Å; L297-F355 VanDerWaalsContact CD2-CD2 3.44Å; L297-F355 HydrophobicContact CD2-CE1 4.34Å; L297-F355 HydrophobicContact CD2-CE2 3.77Å; L297-F355 HydrophobicContact CD2-CG 3.58Å; L297-F355 HydrophobicContact CD2-CZ 4.22Å; L297-W368 HydrophobicContact CD1-CH2 4.39Å
298Q97.6Very high93Very high0 Ų043.8 Ų43.80%026%0.264CS..Hα-helixtrans-57.2-45.7178.5-63.8-68.315.600111.2I294 A300 I301 G302 A303 Y310 S353 F355I294-Q298 HydrophobicContact CG2-CG 3.94Å; I294-Q298 VanDerWaalsContact O-CG 3.22Å; I294-Q298 WeakPolarHBondContact O-CG 3.49Å; I294-Q298 PolarHBondContact O-N 3.24Å; Q298-A300 VanDerWaalsContact C-N 3.33Å; Q298-A300 PolarHBondContact O-N 2.85Å; Q298-I301 WeakPolarHBondContact O-CG1 3.46Å; Q298-I301 PolarHBondContact O-N 3.18Å; Q298-G302 PolarHBondContact O-N 2.91Å; Q298-G302 VanDerWaalsContact O-N 3.14Å; Q298-A303 HydrophobicContact CB-CB 4.15Å; Q298-A303 PolarHBondContact O-N 2.93Å; Q298-A303 VanDerWaalsContact OE1-CB 3.23Å; Q298-Y310 HydrophobicContact CB-CD1 3.65Å; Q298-Y310 HydrophobicContact CB-CE1 3.67Å; Q298-Y310 HydrophobicContact CB-CG 4.13Å; Q298-Y310 VanDerWaalsContact CD-CB 3.46Å; Q298-Y310 HydrophobicContact CG-CD1 3.63Å; Q298-Y310 HydrophobicContact CG-CD2 3.69Å; Q298-Y310 HydrophobicContact CG-CE1 3.79Å; Q298-Y310 HydrophobicContact CG-CE2 3.84Å; Q298-Y310 HydrophobicContact CG-CG 3.57Å; Q298-Y310 VanDerWaalsContact NE2-CB 3.35Å; Q298-Y310 VanDerWaalsContact NE2-CD2 3.35Å; Q298-S353 PolarHBondContact NE2-OG 2.93Å; Q298-S353 VanDerWaalsContact NE2-OG 3.12Å; Q298-S353 PolarHBondContact OE1-OG 3.2Å; Q298-F355 PolarHBondContact NE2-O 3.37Å
299N97Very high92.6Very high108 Ų10844.3 Ų44.358%0.57827%0.267SS*.Hα-helixtrans-61.3-40.6174.8-68.2-25.6000112.2K295 Q296 L297 I301 G302K295-N299 VanDerWaalsContact O-CG 3.29Å; K295-N299 PolarHBondContact O-N 3.04Å; K295-N299 PolarHBondContact O-ND2 2.93Å; Q296-N299 PolarHBondContact O-N 2.03Å; L297-N299 VanDerWaalsContact C-N 3.32Å; L297-N299 PolarHBondContact O-N 3.48Å; N299-I301 VanDerWaalsContact C-N 3.33Å; N299-I301 PolarHBondContact O-N 2.98Å; N299-G302 PolarHBondContact O-N 3.03Å
300A97.8Very high92.6Very high41 Ų4145.3 Ų45.334%0.33927%0.27SS..Hα-helixtrans-68.1-31.4-17900000113V265 M270 Q296 L297 Q298 G302V265-A300 HydrophobicContact CG1-CB 4.05Å; M270-A300 HydrophobicContact CE-CB 3.99Å; M270-A300 HydrophobicContact SD-CB 3.95Å; Q296-A300 WeakPolarHBondContact O-CB 3.34Å; Q296-A300 PolarHBondContact O-N 2.97Å; L297-A300 WeakPolarHBondContact O-CB 3.28Å; L297-A300 PolarHBondContact O-N 3.02Å; Q298-A300 VanDerWaalsContact C-N 3.33Å; Q298-A300 PolarHBondContact O-N 2.85Å; A300-G302 VanDerWaalsContact C-N 3.35Å
301I97.7Very high92.7Very high5 Ų544.9 Ų44.93%0.02627%0.269CS..THydrogen-bonded Turntrans-89.20.3175.470.6172000113.3V265 L297 Q298 N299 A303 M320 P321 V323 Y339 F355V265-I301 HydrophobicContact CG1-CG2 4.23Å; L297-I301 HydrophobicContact CD2-CD1 4.07Å; L297-I301 HydrophobicContact CD2-CG1 4.5Å; L297-I301 HydrophobicContact CD2-CG2 4.22Å; L297-I301 PolarHBondContact O-N 3.14Å; Q298-I301 WeakPolarHBondContact O-CG1 3.46Å; Q298-I301 PolarHBondContact O-N 3.18Å; N299-I301 VanDerWaalsContact C-N 3.33Å; N299-I301 PolarHBondContact O-N 2.98Å; I301-A303 HydrophobicContact CD1-CB 4.13Å; I301-A303 HydrophobicContact CG1-CB 3.92Å; I301-M320 HydrophobicContact CB-CE 4.3Å; I301-P321 HydrophobicContact CG2-CG 4.17Å; I301-V323 HydrophobicContact CG2-CG2 4.18Å; I301-Y339 HydrophobicContact CD1-CE2 3.99Å; I301-F355 HydrophobicContact CD1-CD2 4.1Å; I301-F355 HydrophobicContact CD1-CE2 4.35Å
302G96.4Very high93Very high60 Ų6044.7 Ų44.762%0.61927%0.267SS*.THydrogen-bonded Turntrans7620.9-179.600000114.7Q298 N299 A300Q298-G302 PolarHBondContact O-N 2.91Å; Q298-G302 VanDerWaalsContact O-N 3.14Å; N299-G302 PolarHBondContact O-N 3.03Å; A300-G302 VanDerWaalsContact C-N 3.35Å
303A96.8Very high93.1Very high7 Ų747.4 Ų47.46%0.05828%0.276CS..  trans-81.6141.817600000111.7Q298 I301 Y310 A311 V312Q298-A303 HydrophobicContact CB-CB 4.15Å; Q298-A303 PolarHBondContact O-N 2.93Å; Q298-A303 VanDerWaalsContact OE1-CB 3.23Å; I301-A303 HydrophobicContact CD1-CB 4.13Å; I301-A303 HydrophobicContact CG1-CB 3.92Å; A303-Y310 HydrophobicContact CB-CD1 4.38Å; A303-A311 CarbonylContact C-O 3.46Å; A303-A311 VanDerWaalsContact CA-O 3.29Å; A303-A311 WeakPolarHBondContact CA-O 3.33Å; A303-V312 HydrophobicContact CB-CG1 3.57Å
304A93.4Very high93.1Very high52 Ų5245 Ų4543%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-118.4148.7177.800000110.7V306 Y310 A311A304-V306 PolarHBondContact O-N 3.32Å; A304-Y310 WeakPolarHBondContact O-CA 3.39Å; A304-A311 PolarHBondContact N-O 3.38Å; A304-A311 PolarHBondContact O-N 3.1Å
305P90.7Very high93Very high84 Ų8448.9 Ų48.955%0.54530%0.301SS..EExtended strand (participates in β ladder)trans-67.5124.8174.528.3-33.7000110.6I54 E309 Y310I54-P305 HydrophobicContact CD1-CB 3.53Å; P305-E309 CarbonylContact C-O 3.42Å; P305-E309 WeakPolarHBondContact CA-O 3.21Å; P305-Y310 HydrophobicContact CB-CE1 4.31Å
306V86.7Confident93Very high62 Ų6247 Ų4738%0.37630%0.297SS..EExtended strand (participates in β ladder)trans-138.2118.4177.5-178.70000108.3A304 G308 E309 A311 F350A304-V306 PolarHBondContact O-N 3.32Å; V306-G308 PolarHBondContact O-N 2.8Å; V306-E309 PolarHBondContact N-O 3.26Å; V306-E309 PolarHBondContact O-N 3.46Å; V306-A311 HydrophobicContact CB-CB 4.06Å; V306-A311 HydrophobicContact CG2-CB 3.96Å; V306-F350 HydrophobicContact CG1-CE2 4.03Å; V306-F350 HydrophobicContact CG1-CZ 4.35Å
307D78.1Confident92.9Very high79 Ų7944.6 Ų44.642%0.42229%0.287SS..THydrogen-bonded Turntrans51.752.4171.8-151.313.2000114S43 W46 E309S43-D307 PolarHBondContact OG-OD1 3.11Å; S43-D307 PolarHBondContact OG-OD2 2.94Å; W46-D307 HydrophobicContact CH2-CB 4.09Å; W46-D307 WeakPolarHBondContact CH2-O 3.45Å; W46-D307 WeakPolarHBondContact CZ2-O 3.42Å; W46-D307 HydrophobicContact CZ3-CB 3.94Å; W46-D307 VanDerWaalsContact CZ3-O 3.27Å; W46-D307 WeakPolarHBondContact CZ3-O 3.47Å; W46-D307 WeakPolarHBondContact CZ3-OD1 3.37Å; W46-D307 WeakPolarHBondContact CZ3-OD2 3.15Å; D307-E309 PolarHBondContact O-N 3.15Å
308G77.7Confident92.8Very high19 Ų1951.1 Ų51.120%0.19632%0.321CS..THydrogen-bonded Turntrans77.33.9179.300000114.9M53 I54 V306M53-G308 VanDerWaalsContact CB-O 3.31Å; M53-G308 WeakPolarHBondContact CB-O 3.13Å; M53-G308 PolarHBondContact N-O 3.03Å; I54-G308 PolarHBondContact N-O 2.81Å; V306-G308 PolarHBondContact O-N 2.8Å
309E85.1Confident92.7Very high12 Ų1256.3 Ų56.36%0.05635%0.353CS..EExtended strand (participates in β ladder)trans-134.6178.4-179.3-58.5-172.8167.800111.8K33 R37 W46 P305 V306 D307K33-E309 WeakPolarHBondContact CD-OE1 3.41Å; K33-E309 WeakPolarHBondContact CE-OE1 3.41Å; K33-E309 WeakPolarHBondContact CE-OE2 3.28Å; K33-E309 IonicContact NZ-OE1 2.71Å; K33-E309 PolarHBondContact NZ-OE1 2.81Å; K33-E309 IonicContact NZ-OE2 3.27Å; K33-E309 PolarHBondContact NZ-OE2 3.5Å; R37-E309 IonicContact CZ-OE2 3.8Å; R37-E309 IonicContact NH1-OE2 3.15Å; R37-E309 VanDerWaalsContact NH2-CD 3.25Å; R37-E309 IonicContact NH2-OE1 3.43Å; R37-E309 PolarHBondContact NH2-OE1 2.99Å; R37-E309 IonicContact NH2-OE2 2.64Å; R37-E309 PolarHBondContact NH2-OE2 3.08Å; W46-E309 HydrophobicContact CZ2-CG 3.93Å; W46-E309 WeakPolarHBondContact CZ2-OE1 3.43Å; P305-E309 CarbonylContact C-O 3.42Å; P305-E309 WeakPolarHBondContact CA-O 3.21Å; V306-E309 PolarHBondContact N-O 3.26Å; V306-E309 PolarHBondContact O-N 3.46Å; D307-E309 PolarHBondContact O-N 3.15Å
310Y92.2Very high92.7Very high21 Ų2152.3 Ų52.38%0.08233%0.331CS..EExtended strand (participates in β ladder)trans-103.8134.1168.8-76.2-84.1000110.6I54 Q298 A303 A304 P305 S352 S353I54-Y310 HydrophobicContact CB-CE2 4.19Å; I54-Y310 HydrophobicContact CG1-CD2 4.15Å; I54-Y310 HydrophobicContact CG1-CE2 3.89Å; I54-Y310 HydrophobicContact CG2-CE2 3.73Å; Q298-Y310 HydrophobicContact CB-CD1 3.65Å; Q298-Y310 HydrophobicContact CB-CE1 3.67Å; Q298-Y310 HydrophobicContact CB-CG 4.13Å; Q298-Y310 VanDerWaalsContact CD-CB 3.46Å; Q298-Y310 HydrophobicContact CG-CD1 3.63Å; Q298-Y310 HydrophobicContact CG-CD2 3.69Å; Q298-Y310 HydrophobicContact CG-CE1 3.79Å; Q298-Y310 HydrophobicContact CG-CE2 3.84Å; Q298-Y310 HydrophobicContact CG-CG 3.57Å; Q298-Y310 VanDerWaalsContact NE2-CB 3.35Å; Q298-Y310 VanDerWaalsContact NE2-CD2 3.35Å; A303-Y310 HydrophobicContact CB-CD1 4.38Å; A304-Y310 WeakPolarHBondContact O-CA 3.39Å; P305-Y310 HydrophobicContact CB-CE1 4.31Å; Y310-S352 WeakPolarHBondContact O-CA 3.24Å; Y310-S353 WeakPolarHBondContact O-CB 3.16Å; Y310-S353 PolarHBondContact O-N 2.92Å
311A94.3Very high92.8Very high11 Ų1152 Ų529%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-130.3154.9178.400000111.6A303 A304 V306 F350 C351A303-A311 CarbonylContact C-O 3.46Å; A303-A311 VanDerWaalsContact CA-O 3.29Å; A303-A311 WeakPolarHBondContact CA-O 3.33Å; A304-A311 PolarHBondContact N-O 3.38Å; A304-A311 PolarHBondContact O-N 3.1Å; V306-A311 HydrophobicContact CB-CB 4.06Å; V306-A311 HydrophobicContact CG2-CB 3.96Å; A311-F350 HydrophobicContact CB-CE2 4.01Å; A311-F350 HydrophobicContact CB-CZ 3.82Å; A311-C351 CarbonylContact C-O 3.57Å; A311-C351 VanDerWaalsContact CA-O 3.26Å; A311-C351 WeakPolarHBondContact CA-O 3.46Å; A311-C351 WeakPolarHBondContact CB-O 2.99Å
312V95.9Very high92.8Very high16 Ų1655.4 Ų55.410%0.09734%0.344CS..EExtended strand (participates in β ladder)trans-122.9159.1175.2-64.90000109.9A303 C314 L317 M320 T340 C351A303-V312 HydrophobicContact CB-CG1 3.57Å; V312-C314 PolarHBondContact O-N 3.16Å; V312-L317 HydrophobicContact CG2-CD2 3.93Å; V312-M320 HydrophobicContact CB-CE 4.19Å; V312-M320 HydrophobicContact CB-SD 4.05Å; V312-M320 HydrophobicContact CG1-CE 3.75Å; V312-M320 HydrophobicContact CG1-SD 4.17Å; V312-M320 HydrophobicContact CG2-CE 4.12Å; V312-M320 HydrophobicContact CG2-SD 4.11Å; V312-T340 HydrophobicContact CG2-CG2 4.05Å; V312-C351 HydrophobicContact CG2-CB 3.81Å; V312-C351 PolarHBondContact N-O 2.71Å; V312-C351 WeakPolarHBondContact O-CB 3.01Å
313E95.1Very high92.9Very high137 Ų13752.5 Ų52.564%0.6431%0.314SS*.  trans-70.6115.6171.5-68.8-67.7176.900109.9A315 N316E313-A315 PolarHBondContact O-N 2.74Å; E313-N316 HydrophobicContact CB-CB 4.23Å; E313-N316 PolarHBondContact O-N 2.81Å
314C95.1Very high93Very high25 Ų2552.9 Ų52.917%0.16932%0.315CS..G310 helixtrans-55.6-27.8-178.5-66.30000113.6V312 N316 L317 Q349 C351V312-C314 PolarHBondContact O-N 3.16Å; C314-N316 VanDerWaalsContact C-N 3.26Å; C314-N316 PolarHBondContact O-N 2.86Å; C314-L317 WeakPolarHBondContact O-CG 3.47Å; C314-Q349 HydrophobicContact CB-CB 4.41Å; C314-C351 WeakPolarHBondContact CA-SG 3.21Å; C314-C351 HydrophobicContact CB-CB 4.12Å; C314-C351 WeakPolarHBondContact CB-SG 3.36Å; C314-C351 WeakPolarHBondContact SG-CB 3.5Å; C314-C351 PolarHBondContact SG-N 3.38Å; C314-C351 CovalentContact SG-SG 2.03Å; C314-C351 PolarHBondContact SG-SG 3.41Å
315A95.3Very high93.3Very high82 Ų8250.4 Ų50.468%0.67830%0.295SS*.G310 helixtrans-72.5-17178.100000113.7E313 N318E313-A315 PolarHBondContact O-N 2.74Å; A315-N318 PolarHBondContact O-OD1 2.73Å
316N94.8Very high93.7Very high81 Ų8147.1 Ų47.143%0.43327%0.273SS..G310 helixtrans-101.55.4-172.2-68.5-14.2000113.8E313 C314 N318 V319 M320E313-N316 HydrophobicContact CB-CB 4.23Å; E313-N316 PolarHBondContact O-N 2.81Å; C314-N316 VanDerWaalsContact C-N 3.26Å; C314-N316 PolarHBondContact O-N 2.86Å; N316-N318 PolarHBondContact O-N 2.82Å; N316-N318 VanDerWaalsContact O-N 3.1Å; N316-V319 HydrophobicContact CB-CG2 3.99Å; N316-V319 WeakPolarHBondContact O-CG2 3.4Å; N316-V319 PolarHBondContact O-N 3.24Å; N316-M320 WeakPolarHBondContact O-CG 3.45Å; N316-M320 PolarHBondContact O-N 2.89Å
317L95.6Very high94.2Very high35 Ų3544.1 Ų44.118%0.18326%0.255CS..G310 helixtrans-57.3-30.4-177.8-61-178.4000113V312 C314 V319 M320 P336 T337 T340V312-L317 HydrophobicContact CG2-CD2 3.93Å; C314-L317 WeakPolarHBondContact O-CG 3.47Å; L317-V319 VanDerWaalsContact C-N 3.28Å; L317-V319 PolarHBondContact O-N 3.34Å; L317-M320 HydrophobicContact CD2-CE 4.33Å; L317-M320 HydrophobicContact CD2-SD 3.7Å; L317-P336 HydrophobicContact CB-CB 4.32Å; L317-P336 WeakPolarHBondContact O-CB 3.28Å; L317-P336 VanDerWaalsContact O-CG 3.28Å; L317-P336 WeakPolarHBondContact O-CG 3.43Å; L317-T337 HydrophobicContact CD1-CG2 4.4Å; L317-T340 HydrophobicContact CD2-CG2 3.93Å
318N95.5Very high95.1Very high136 Ų13644.8 Ų44.873%0.72726%0.259SS*.G310 helixtrans-72.3-15.3179.464.4-27.7000114.8A315 N316A315-N318 PolarHBondContact O-OD1 2.73Å; N316-N318 PolarHBondContact O-N 2.82Å; N316-N318 VanDerWaalsContact O-N 3.1Å
319V95.3Very high96.1Very high110 Ų11046.7 Ų46.767%0.66728%0.278SS*.G310 helixtrans-112.9-0.2-179.9-63.40000112.9N316 L317N316-V319 HydrophobicContact CB-CG2 3.99Å; N316-V319 WeakPolarHBondContact O-CG2 3.4Å; N316-V319 PolarHBondContact O-N 3.24Å; L317-V319 VanDerWaalsContact C-N 3.28Å; L317-V319 PolarHBondContact O-N 3.34Å
320M97.9Very high96.7Very high24 Ų2448.7 Ų48.712%0.11829%0.292CS..SBendtrans-77150.4175.9-75.7169.558.100111.2I301 V312 N316 L317 P336 Y339I301-M320 HydrophobicContact CB-CE 4.3Å; V312-M320 HydrophobicContact CB-CE 4.19Å; V312-M320 HydrophobicContact CB-SD 4.05Å; V312-M320 HydrophobicContact CG1-CE 3.75Å; V312-M320 HydrophobicContact CG1-SD 4.17Å; V312-M320 HydrophobicContact CG2-CE 4.12Å; V312-M320 HydrophobicContact CG2-SD 4.11Å; N316-M320 WeakPolarHBondContact O-CG 3.45Å; N316-M320 PolarHBondContact O-N 2.89Å; L317-M320 HydrophobicContact CD2-CE 4.33Å; L317-M320 HydrophobicContact CD2-SD 3.7Å; M320-P336 HydrophobicContact CB-CB 3.8Å; M320-P336 HydrophobicContact CB-CG 3.59Å; M320-P336 HydrophobicContact CE-CB 4.45Å; M320-P336 VanDerWaalsContact O-CG 3.27Å; M320-P336 WeakPolarHBondContact O-CG 3Å; M320-Y339 HydrophobicContact CE-CE2 3.58Å; M320-Y339 WeakPolarHBondContact CE-OH 3.14Å
321P98.3Very high97Very high34 Ų3451.7 Ų51.722%0.22131%0.314CS..PPolyproline II helixtrans-79.4145.7-177.132-34.7000112.1V265 I301 Y339V265-P321 HydrophobicContact CG1-CB 4.05Å; V265-P321 HydrophobicContact CG1-CG 3.69Å; I301-P321 HydrophobicContact CG2-CG 4.17Å; P321-Y339 PolarHBondContact O-OH 3.03Å
322D98.7Very high97.2Very high76 Ų7651.4 Ų51.441%0.40631%0.31SS..PPolyproline II helixtrans-63.4148.4167.7-67.3-23.8000111.5G266 T333 S335 P336G266-D322 PolarHBondContact N-O 2.9Å; D322-T333 HydrophobicContact CB-CG2 3.68Å; D322-S335 WeakPolarHBondContact OD1-CA 3.03Å; D322-P336 WeakPolarHBondContact OD1-CD 3.28Å
323V98.8Very high97.4Very high0 Ų053.6 Ų53.60%032%0.323CS..EExtended strand (participates in β ladder)trans-112.1122.2171.1-178.70000108.6I263 Q264 V265 L297 I301 F325 L334 Y339 F355I263-V323 HydrophobicContact CG2-CG1 4.09Å; Q264-V323 CarbonylContact O-C 3.37Å; Q264-V323 WeakPolarHBondContact O-CA 3.4Å; V265-V323 HydrophobicContact CG1-CG2 4.49Å; V265-V323 HydrophobicContact CG2-CG2 4.45Å; L297-V323 HydrophobicContact CD1-CG1 4.46Å; I301-V323 HydrophobicContact CG2-CG2 4.18Å; V323-F325 HydrophobicContact CG1-CD2 4.47Å; V323-F325 HydrophobicContact CG1-CE2 3.75Å; V323-F325 HydrophobicContact CG1-CZ 4.18Å; V323-L334 PolarHBondContact N-O 3.39Å; V323-L334 PolarHBondContact O-N 2.89Å; V323-Y339 HydrophobicContact CB-CD1 4.42Å; V323-Y339 HydrophobicContact CB-CE1 4.4Å; V323-Y339 HydrophobicContact CG2-CD1 4.2Å; V323-Y339 HydrophobicContact CG2-CE1 3.86Å; V323-F355 HydrophobicContact CB-CZ 4.09Å; V323-F355 HydrophobicContact CG1-CE1 4.38Å; V323-F355 HydrophobicContact CG1-CZ 4Å; V323-F355 HydrophobicContact CG2-CE2 4.25Å; V323-F355 HydrophobicContact CG2-CZ 3.95Å
324T98.9Very high97.5Very high14 Ų1447 Ų479%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-117.8126.1-176.6-590000111.4I263 Q264 P331 Y332 T333I263-T324 CarbonylContact C-O 3.56Å; I263-T324 WeakPolarHBondContact CA-O 3.15Å; Q264-T324 PolarHBondContact N-O 3.42Å; Q264-T324 PolarHBondContact O-N 2.89Å; T324-P331 HydrophobicContact CG2-CB 3.72Å; T324-Y332 WeakPolarHBondContact CA-O 3.38Å; T324-T333 WeakPolarHBondContact CG2-OG1 3.24Å; T324-T333 WeakPolarHBondContact OG1-CG2 3.27Å; T324-T333 PolarHBondContact OG1-OG1 3.44Å
325F98.8Very high97.6Very high0 Ų047.8 Ų47.80%030%0.298CS..EExtended strand (participates in β ladder)trans-97.2118.7171-65.1-96.3000108.1L260 I263 I287 V323 Y332 L334 F355 W368 L370 F374L260-F325 HydrophobicContact CD1-CB 3.92Å; L260-F325 HydrophobicContact CD1-CD1 4.04Å; L260-F325 HydrophobicContact CD2-CD1 3.94Å; L260-F325 HydrophobicContact CD2-CE1 4.49Å; I263-F325 HydrophobicContact CD1-CD1 4.11Å; I263-F325 HydrophobicContact CD1-CE1 3.72Å; I263-F325 HydrophobicContact CG1-CD1 3.87Å; I263-F325 HydrophobicContact CG1-CE1 3.95Å; I263-F325 HydrophobicContact CG2-CE1 4.24Å; I263-F325 HydrophobicContact CG2-CZ 4.4Å; I287-F325 HydrophobicContact CD1-CE2 4.03Å; I287-F325 HydrophobicContact CD1-CZ 4.12Å; I287-F325 HydrophobicContact CG2-CE1 4.36Å; I287-F325 HydrophobicContact CG2-CZ 3.9Å; V323-F325 HydrophobicContact CG1-CD2 4.47Å; V323-F325 HydrophobicContact CG1-CE2 3.75Å; V323-F325 HydrophobicContact CG1-CZ 4.18Å; F325-Y332 PolarHBondContact N-O 2.03Å; F325-Y332 WeakPolarHBondContact O-CB 2.9Å; F325-Y332 WeakPolarHBondContact O-CD2 3.17Å; F325-Y332 PolarHBondContact O-N 2.85Å; F325-L334 HydrophobicContact CD2-CD1 4.33Å; F325-L334 HydrophobicContact CE2-CD1 3.89Å; F325-F355 HydrophobicContact CE2-CE1 4.49Å; F325-F355 HydrophobicContact CZ-CE1 4.2Å; F325-W368 HydrophobicContact CE1-CE3 4.31Å; F325-L370 HydrophobicContact CD1-CD2 3.88Å; F325-L370 HydrophobicContact CE1-CD2 3.84Å; F325-L370 HydrophobicContact CG-CD2 4.45Å; F325-L370 HydrophobicContact CZ-CD2 4.39Å; F325-F374 HydrophobicContact CB-CE2 4.38Å; F325-F374 HydrophobicContact CD2-CD2 4.48Å
326T98.8Very high97.8Very high15 Ų1544.4 Ų44.49%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-94.3118.4174.7-53.80000108.9L260 D261 N262 V330L260-T326 WeakPolarHBondContact CD1-O 3.32Å; D261-T326 HydrophobicContact CB-CG2 4.07Å; D261-T326 VanDerWaalsContact CB-O 3.31Å; D261-T326 WeakPolarHBondContact CB-O 3.47Å; D261-T326 PolarHBondContact N-O 3.33Å; N262-T326 WeakPolarHBondContact ND2-CB 3.23Å; N262-T326 PolarHBondContact O-N 3.42Å; N262-T326 PolarHBondContact OD1-OG1 2.95Å; T326-V330 WeakPolarHBondContact CA-O 3.27Å
327I98.7Very high97.8Very high0 Ų045.3 Ų45.30%028%0.278CS..EExtended strand (participates in β ladder)trans-127.3120.3-177.5-56.3166000107.9V248 I258 L260 G329 V330 Y332 L370 F374 L391V248-I327 HydrophobicContact CB-CG2 4.32Å; V248-I327 HydrophobicContact CG1-CG2 3.77Å; V248-I327 HydrophobicContact CG2-CG2 3.67Å; I258-I327 HydrophobicContact CD1-CD1 4.1Å; I258-I327 HydrophobicContact CD1-CG2 3.94Å; L260-I327 HydrophobicContact CD1-CD1 4.28Å; L260-I327 HydrophobicContact CD1-CG1 3.5Å; L260-I327 VanDerWaalsContact CD1-CG1 3.5Å; I327-G329 PolarHBondContact O-N 2.86Å; I327-V330 PolarHBondContact N-O 3.43Å; I327-V330 PolarHBondContact O-N 2.95Å; I327-Y332 HydrophobicContact CB-CD2 3.97Å; I327-Y332 HydrophobicContact CB-CE2 3.69Å; I327-Y332 HydrophobicContact CD1-CD2 3.89Å; I327-Y332 HydrophobicContact CD1-CE2 4.18Å; I327-Y332 HydrophobicContact CD1-CG 4.5Å; I327-Y332 HydrophobicContact CG1-CD2 4.06Å; I327-Y332 HydrophobicContact CG1-CE2 4.27Å; I327-L370 HydrophobicContact CD1-CD1 4Å; I327-F374 HydrophobicContact CD1-CE2 4.48Å; I327-F374 HydrophobicContact CD1-CZ 4Å; I327-L391 HydrophobicContact CD1-CD1 3.97Å
328N97.4Very high97.8Very high92 Ų9244 Ų4449%0.49227%0.272SS..THydrogen-bonded Turntrans53.641.7-178.4-163.727.1000112.7W247 V248 D261 V330W247-N328 PolarHBondContact O-ND2 2.67Å; V248-N328 HydrophobicContact CG1-CB 4.45Å; V248-N328 HydrophobicContact CG2-CB 4.1Å; D261-N328 PolarHBondContact OD2-N 2.72Å; N328-V330 PolarHBondContact O-N 2.84Å
329G97.6Very high97.8Very high59 Ų5937.5 Ų37.561%0.60824%0.237SC*.THydrogen-bonded Turntrans74-1-177.800000115.6D261 I327D261-G329 PolarHBondContact OD2-N 3.06Å; I327-G329 PolarHBondContact O-N 2.86Å
330V98.4Very high97.8Very high55 Ų5532.9 Ų32.933%0.33321%0.209SC..EExtended strand (participates in β ladder)trans-100128.3179.6-179.10000110T326 I327 N328 Y332T326-V330 WeakPolarHBondContact CA-O 3.27Å; I327-V330 PolarHBondContact N-O 3.43Å; I327-V330 PolarHBondContact O-N 2.95Å; N328-V330 PolarHBondContact O-N 2.84Å; V330-Y332 HydrophobicContact CB-CE2 3.75Å; V330-Y332 HydrophobicContact CG1-CD2 4.48Å; V330-Y332 HydrophobicContact CG1-CE1 4.45Å; V330-Y332 HydrophobicContact CG1-CE2 3.77Å; V330-Y332 WeakPolarHBondContact O-CD2 3.24Å; V330-Y332 VanDerWaalsContact O-CE2 3.26Å; V330-Y332 WeakPolarHBondContact O-CE2 3.41Å
331P98.4Very high97.5Very high84 Ų8432.9 Ų32.955%0.54521%0.21SC..EExtended strand (participates in β ladder)trans-81.9127.6176.831.4-32.7000111.9T324T324-P331 HydrophobicContact CG2-CB 3.72Å
332Y98.6Very high97.1Very high5 Ų535 Ų352%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-112.495.6173.6-61.5-91.5000108.8S246 T324 F325 I327 V330 F374 F378 L391S246-Y332 WeakPolarHBondContact CB-OH 3.47Å; S246-Y332 PolarHBondContact OG-OH 2.85Å; T324-Y332 WeakPolarHBondContact CA-O 3.38Å; F325-Y332 PolarHBondContact N-O 2.03Å; F325-Y332 WeakPolarHBondContact O-CB 2.9Å; F325-Y332 WeakPolarHBondContact O-CD2 3.17Å; F325-Y332 PolarHBondContact O-N 2.85Å; I327-Y332 HydrophobicContact CB-CD2 3.97Å; I327-Y332 HydrophobicContact CB-CE2 3.69Å; I327-Y332 HydrophobicContact CD1-CD2 3.89Å; I327-Y332 HydrophobicContact CD1-CE2 4.18Å; I327-Y332 HydrophobicContact CD1-CG 4.5Å; I327-Y332 HydrophobicContact CG1-CD2 4.06Å; I327-Y332 HydrophobicContact CG1-CE2 4.27Å; V330-Y332 HydrophobicContact CB-CE2 3.75Å; V330-Y332 HydrophobicContact CG1-CD2 4.48Å; V330-Y332 HydrophobicContact CG1-CE1 4.45Å; V330-Y332 HydrophobicContact CG1-CE2 3.77Å; V330-Y332 WeakPolarHBondContact O-CD2 3.24Å; V330-Y332 VanDerWaalsContact O-CE2 3.26Å; V330-Y332 WeakPolarHBondContact O-CE2 3.41Å; Y332-F374 HydrophobicContact CD1-CZ 4.1Å; Y332-F374 HydrophobicContact CG-CE2 4.3Å; Y332-F374 HydrophobicContact CG-CZ 4.01Å; Y332-F378 HydrophobicContact CD1-CB 4.49Å; Y332-F378 AromaticContact CD1-CD1 3.6Å; Y332-F378 HydrophobicContact CD1-CD1 3.6Å; Y332-F378 HydrophobicContact CD1-CD2 4.19Å; Y332-F378 AromaticContact CD1-CE1 3.79Å; Y332-F378 HydrophobicContact CD1-CE1 3.79Å; Y332-F378 HydrophobicContact CD1-CE2 4.36Å; Y332-F378 AromaticContact CD1-CG 3.82Å; Y332-F378 HydrophobicContact CD1-CG 3.82Å; Y332-F378 HydrophobicContact CD1-CZ 4.17Å; Y332-F378 HydrophobicContact CE1-CD1 4.35Å; Y332-F378 HydrophobicContact CG-CE1 4.45Å; Y332-F378 HydrophobicContact CG-CZ 4.44Å; Y332-L391 HydrophobicContact CE1-CB 3.52Å; Y332-L391 HydrophobicContact CE1-CD1 4.06Å; Y332-L391 HydrophobicContact CE1-CG 4.43Å; Y332-L391 HydrophobicContact CE2-CD1 4.39Å
333T98.6Very high96.4Very high61 Ų6131.8 Ų31.837%0.37420%0.202SC..EExtended strand (participates in β ladder)trans-94.8126.6-172.8-57.90000111.9D322 T324D322-T333 HydrophobicContact CB-CG2 3.68Å; T324-T333 WeakPolarHBondContact CG2-OG1 3.24Å; T324-T333 WeakPolarHBondContact OG1-CG2 3.27Å; T324-T333 PolarHBondContact OG1-OG1 3.44Å
334L98.5Very high95.7Very high0 Ų036.6 Ų36.60%022%0.223CC..EExtended strand (participates in β ladder)trans-101.7123.8171.3-60.1175.2000109.3I287 V323 F325 A338 Y339 V373 Q377 F378I287-L334 HydrophobicContact CD1-CD1 3.33Å; V323-L334 PolarHBondContact N-O 3.39Å; V323-L334 PolarHBondContact O-N 2.89Å; F325-L334 HydrophobicContact CD2-CD1 4.33Å; F325-L334 HydrophobicContact CE2-CD1 3.89Å; L334-A338 HydrophobicContact CB-CB 4.36Å; L334-A338 HydrophobicContact CD2-CB 4.28Å; L334-Y339 HydrophobicContact CB-CD1 4Å; L334-V373 HydrophobicContact CD1-CG1 4.22Å; L334-Q377 HydrophobicContact CD2-CB 3.88Å; L334-Q377 HydrophobicContact CD2-CG 3.53Å; L334-F378 HydrophobicContact CD2-CD2 4.5Å; L334-F378 HydrophobicContact CD2-CE2 3.68Å; L334-F378 HydrophobicContact CD2-CZ 4.42Å; L334-F378 HydrophobicContact CG-CE2 4.41Å
335S97.8Very high94.8Very high40 Ų4037.8 Ų37.828%0.2823%0.23SC..PPolyproline II helixtrans-73162.4170.767.70000111.3D322 T337 A338 Y339D322-S335 WeakPolarHBondContact OD1-CA 3.03Å; S335-T337 PolarHBondContact O-N 3.09Å; S335-T337 VanDerWaalsContact O-N 3.15Å; S335-T337 PolarHBondContact OG-OG1 3.24Å; S335-A338 WeakPolarHBondContact O-CB 3.11Å; S335-A338 PolarHBondContact O-N 3.21Å; S335-A338 PolarHBondContact OG-N 2.89Å; S335-Y339 VanDerWaalsContact C-CE1 3.48Å; S335-Y339 WeakPolarHBondContact O-CD1 3.45Å; S335-Y339 WeakPolarHBondContact O-CE1 3.28Å; S335-Y339 PolarHBondContact O-N 3.37Å; S335-Y339 VanDerWaalsContact O-N 3.15Å
336P97.6Very high93.9Very high11 Ų1143.7 Ų43.77%0.07126%0.262CS..THydrogen-bonded Turntrans-51.1-37172-30.135.9000115L317 M320 D322 Y339 T340L317-P336 HydrophobicContact CB-CB 4.32Å; L317-P336 WeakPolarHBondContact O-CB 3.28Å; L317-P336 VanDerWaalsContact O-CG 3.28Å; L317-P336 WeakPolarHBondContact O-CG 3.43Å; M320-P336 HydrophobicContact CB-CB 3.8Å; M320-P336 HydrophobicContact CB-CG 3.59Å; M320-P336 HydrophobicContact CE-CB 4.45Å; M320-P336 VanDerWaalsContact O-CG 3.27Å; M320-P336 WeakPolarHBondContact O-CG 3Å; D322-P336 WeakPolarHBondContact OD1-CD 3.28Å; P336-Y339 VanDerWaalsContact CA-CE1 3.43Å; P336-Y339 HydrophobicContact CB-CE1 4.36Å; P336-Y339 HydrophobicContact CG-CE1 4.29Å; P336-T340 WeakPolarHBondContact O-CB 3.16Å; P336-T340 PolarHBondContact O-N 2.86Å; P336-T340 VanDerWaalsContact O-N 3.16Å; P336-T340 PolarHBondContact O-OG1 3.39Å
337T95.3Very high93Very high100 Ų10046.1 Ų46.161%0.61329%0.289SS*.THydrogen-bonded Turntrans-71.4-29.3176.351.70000113.2L317 S335L317-T337 HydrophobicContact CD1-CG2 4.4Å; S335-T337 PolarHBondContact O-N 3.09Å; S335-T337 VanDerWaalsContact O-N 3.15Å; S335-T337 PolarHBondContact OG-OG1 3.24Å
338A95.2Very high92.4Very high7 Ų752.4 Ų52.46%0.05832%0.32CS..THydrogen-bonded Turntrans-74.9-40.9178.900000112.3L334 S335 Q377L334-A338 HydrophobicContact CB-CB 4.36Å; L334-A338 HydrophobicContact CD2-CB 4.28Å; S335-A338 WeakPolarHBondContact O-CB 3.11Å; S335-A338 PolarHBondContact O-N 3.21Å; S335-A338 PolarHBondContact OG-N 2.89Å; A338-Q377 HydrophobicContact CB-CG 3.74Å
339Y96.5Very high92.1Very high0 Ų053.8 Ų53.80%032%0.324CS..SBendtrans-92.53.6-179.267.7-114.3000114.2I301 M320 P321 V323 L334 S335 P336 G354 F355I301-Y339 HydrophobicContact CD1-CE2 3.99Å; M320-Y339 HydrophobicContact CE-CE2 3.58Å; M320-Y339 WeakPolarHBondContact CE-OH 3.14Å; P321-Y339 PolarHBondContact O-OH 3.03Å; V323-Y339 HydrophobicContact CB-CD1 4.42Å; V323-Y339 HydrophobicContact CB-CE1 4.4Å; V323-Y339 HydrophobicContact CG2-CD1 4.2Å; V323-Y339 HydrophobicContact CG2-CE1 3.86Å; L334-Y339 HydrophobicContact CB-CD1 4Å; S335-Y339 VanDerWaalsContact C-CE1 3.48Å; S335-Y339 WeakPolarHBondContact O-CD1 3.45Å; S335-Y339 WeakPolarHBondContact O-CE1 3.28Å; S335-Y339 PolarHBondContact O-N 3.37Å; S335-Y339 VanDerWaalsContact O-N 3.15Å; P336-Y339 VanDerWaalsContact CA-CE1 3.43Å; P336-Y339 HydrophobicContact CB-CE1 4.36Å; P336-Y339 HydrophobicContact CG-CE1 4.29Å; Y339-G354 WeakPolarHBondContact O-CA 3.33Å; Y339-G354 PolarHBondContact O-N 3.08Å; Y339-F355 HydrophobicContact CD1-CE2 4.17Å; Y339-F355 HydrophobicContact CD1-CZ 4.34Å; Y339-F355 HydrophobicContact CD2-CD2 4.3Å; Y339-F355 AromaticContact CD2-CE2 3.56Å; Y339-F355 HydrophobicContact CD2-CE2 3.56Å; Y339-F355 HydrophobicContact CD2-CZ 4.45Å; Y339-F355 HydrophobicContact CE2-CE2 4.22Å; Y339-F355 AromaticContact CG-CE2 3.54Å; Y339-F355 HydrophobicContact CG-CE2 3.54Å; Y339-F355 AromaticContact CG-CZ 4Å; Y339-F355 HydrophobicContact CG-CZ 4Å
340T95.5Very high91.8Very high13 Ų1352.8 Ų52.88%0.0830%0.303CS..EExtended strand (participates in β ladder)trans-106.3132.5174.6-60.40000110.7V312 L317 P336 C351V312-T340 HydrophobicContact CG2-CG2 4.05Å; L317-T340 HydrophobicContact CD2-CG2 3.93Å; P336-T340 WeakPolarHBondContact O-CB 3.16Å; P336-T340 PolarHBondContact O-N 2.86Å; P336-T340 VanDerWaalsContact O-N 3.16Å; P336-T340 PolarHBondContact O-OG1 3.39Å; T340-C351 HydrophobicContact CG2-CB 3.54Å
341L91.8Very high91.5Very high25 Ų2550.4 Ų50.413%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-100.6115.9177.2-56179.4000110.2L286 S352 V373L286-L341 HydrophobicContact CD2-CD1 3.4Å; L286-L341 VanDerWaalsContact CD2-CD1 3.4Å; L341-S352 WeakPolarHBondContact CB-OG 3.49Å; L341-S352 PolarHBondContact N-O 3.16Å; L341-S352 PolarHBondContact O-N 3.35Å; L341-S352 PolarHBondContact O-OG 3.14Å; L341-V373 HydrophobicContact CD2-CG2 4.21Å
342L88.6Confident91.3Very high77 Ų7746.5 Ų46.540%0.40326%0.263SS..EExtended strand (participates in β ladder)trans-87.6120179.3179.566.7000111.6K34 F344 Q349K34-L342 PolarHBondContact NZ-O 3.11Å; L342-F344 HydrophobicContact CD2-CZ 4.4Å; L342-F344 HydrophobicContact CG-CE2 4.47Å; L342-Q349 HydrophobicContact CD1-CB 3.9Å; L342-Q349 HydrophobicContact CD1-CG 4Å
343D85.8Confident91.2Very high10 Ų1046.6 Ų46.65%0.05327%0.265CS..EExtended strand (participates in β ladder)trans-122.9176.4172-71.4-30.7000111.8K34 R37 F350K34-D343 VanDerWaalsContact CD-OD1 3.28Å; K34-D343 WeakPolarHBondContact CD-OD1 3.2Å; K34-D343 VanDerWaalsContact CE-OD1 3.22Å; K34-D343 WeakPolarHBondContact CE-OD1 3.42Å; K34-D343 WeakPolarHBondContact CG-OD1 3.05Å; K34-D343 IonicContact NZ-OD1 3.24Å; K34-D343 PolarHBondContact NZ-OD1 2.92Å; R37-D343 IonicContact CZ-OD2 3.62Å; R37-D343 IonicContact NH1-OD2 3.82Å; R37-D343 PolarHBondContact NH1-OD2 3.19Å; D343-F350 HydrophobicContact CB-CB 4.49Å; D343-F350 PolarHBondContact N-O 2.85Å; D343-F350 PolarHBondContact O-N 2.89Å
344F82.3Confident91Very high101 Ų10143.7 Ų43.744%0.44325%0.247SC..EExtended strand (participates in β ladder)trans-128.6131.1176.3-65.4-91.3000110.4L342 M348 Q349L342-F344 HydrophobicContact CD2-CZ 4.4Å; L342-F344 HydrophobicContact CG-CE2 4.47Å; F344-M348 CarbonylContact C-O 3.29Å; F344-M348 VanDerWaalsContact CA-O 3.24Å; F344-M348 WeakPolarHBondContact CA-O 3.45Å; F344-Q349 HydrophobicContact CD1-CG 4.41Å; F344-Q349 HydrophobicContact CE1-CG 3.85Å; F344-Q349 HydrophobicContact CZ-CG 4.47Å
345V80.8Confident90.8Very high38 Ų3843.9 Ų43.923%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-119.9116.7171.8-168.90000107.5R37 G347 M348 F350R37-V345 HydrophobicContact CG-CG2 3.49Å; R37-V345 VanDerWaalsContact CG-CG2 3.49Å; V345-G347 PolarHBondContact O-N 3.12Å; V345-G347 VanDerWaalsContact O-N 3.08Å; V345-M348 PolarHBondContact N-O 3.45Å; V345-M348 WeakPolarHBondContact O-CB 3.39Å; V345-M348 PolarHBondContact O-N 3.41Å; V345-F350 HydrophobicContact CG2-CB 3.92Å; V345-F350 HydrophobicContact CG2-CG 4.27Å
346D80.8Confident90.5Very high125 Ų12542.5 Ų42.567%0.66824%0.237SC*.THydrogen-bonded Turntrans49.636.4-175.7-62.9-36.3000113.4M348D346-M348 VanDerWaalsContact C-N 3.28Å; D346-M348 PolarHBondContact O-N 3.12Å
347G79.8Confident90Very high65 Ų6542 Ų4267%0.6723%0.234SC*.THydrogen-bonded Turntrans79.7-1.9-178.500000115.5V345V345-G347 PolarHBondContact O-N 3.12Å; V345-G347 VanDerWaalsContact O-N 3.08Å
348M85.3Confident89.5Confident132 Ų13237.4 Ų37.465%0.6521%0.206SC*.EExtended strand (participates in β ladder)trans-91.9141.8173.9-62.8-175.6-69.600111.2F344 V345 D346F344-M348 CarbonylContact C-O 3.29Å; F344-M348 VanDerWaalsContact CA-O 3.24Å; F344-M348 WeakPolarHBondContact CA-O 3.45Å; V345-M348 PolarHBondContact N-O 3.45Å; V345-M348 WeakPolarHBondContact O-CB 3.39Å; V345-M348 PolarHBondContact O-N 3.41Å; D346-M348 VanDerWaalsContact C-N 3.28Å; D346-M348 PolarHBondContact O-N 3.12Å
349Q90.5Very high88.9Confident121 Ų12138.9 Ų38.957%0.56521%0.213SC*.EExtended strand (participates in β ladder)trans-65.8135.1177.7-67.2-175.7-28.300111.1C314 L342 F344C314-Q349 HydrophobicContact CB-CB 4.41Å; L342-Q349 HydrophobicContact CD1-CB 3.9Å; L342-Q349 HydrophobicContact CD1-CG 4Å; F344-Q349 HydrophobicContact CD1-CG 4.41Å; F344-Q349 HydrophobicContact CE1-CG 3.85Å; F344-Q349 HydrophobicContact CZ-CG 4.47Å
350F90.9Very high88.2Confident38 Ų3839.6 Ų39.617%0.16722%0.216CC..EExtended strand (participates in β ladder)trans-127.7120.8172.5-177.5-98000108.8V306 A311 D343 V345V306-F350 HydrophobicContact CG1-CE2 4.03Å; V306-F350 HydrophobicContact CG1-CZ 4.35Å; A311-F350 HydrophobicContact CB-CE2 4.01Å; A311-F350 HydrophobicContact CB-CZ 3.82Å; D343-F350 HydrophobicContact CB-CB 4.49Å; D343-F350 PolarHBondContact N-O 2.85Å; D343-F350 PolarHBondContact O-N 2.89Å; V345-F350 HydrophobicContact CG2-CB 3.92Å; V345-F350 HydrophobicContact CG2-CG 4.27Å
351C93.9Very high87.3Confident5 Ų543.1 Ų43.13%0.03423%0.232CC..EExtended strand (participates in β ladder)trans-107.7100.6-176.9-71.80000109.6A311 V312 C314 T340A311-C351 CarbonylContact C-O 3.57Å; A311-C351 VanDerWaalsContact CA-O 3.26Å; A311-C351 WeakPolarHBondContact CA-O 3.46Å; A311-C351 WeakPolarHBondContact CB-O 2.99Å; V312-C351 HydrophobicContact CG2-CB 3.81Å; V312-C351 PolarHBondContact N-O 2.71Å; V312-C351 WeakPolarHBondContact O-CB 3.01Å; C314-C351 WeakPolarHBondContact CA-SG 3.21Å; C314-C351 HydrophobicContact CB-CB 4.12Å; C314-C351 WeakPolarHBondContact CB-SG 3.36Å; C314-C351 WeakPolarHBondContact SG-CB 3.5Å; C314-C351 PolarHBondContact SG-N 3.38Å; C314-C351 CovalentContact SG-SG 2.03Å; C314-C351 PolarHBondContact SG-SG 3.41Å; T340-C351 HydrophobicContact CG2-CB 3.54Å
352S93.6Very high86.4Confident3 Ų346.5 Ų46.52%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-87.4147175.257.40000111.1Y310 L341Y310-S352 WeakPolarHBondContact O-CA 3.24Å; L341-S352 WeakPolarHBondContact CB-OG 3.49Å; L341-S352 PolarHBondContact N-O 3.16Å; L341-S352 PolarHBondContact O-N 3.35Å; L341-S352 PolarHBondContact O-OG 3.14Å
353S95.4Very high85.7Confident7 Ų746.7 Ų46.75%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-71.9132.3175.8-177.30000109.9Q298 Y310 F355Q298-S353 PolarHBondContact NE2-OG 2.93Å; Q298-S353 VanDerWaalsContact NE2-OG 3.12Å; Q298-S353 PolarHBondContact OE1-OG 3.2Å; Y310-S353 WeakPolarHBondContact O-CB 3.16Å; Y310-S353 PolarHBondContact O-N 2.92Å; S353-F355 PolarHBondContact O-N 3.18Å; S353-F355 VanDerWaalsContact O-N 3.15Å; S353-F355 PolarHBondContact OG-N 2.8Å
354G95.1Very high85.1Confident0 Ų047 Ų470%027%0.265CS..SBendtrans-75.813.217400000114I287 Y339I287-G354 PolarHBondContact N-O 3.34Å; Y339-G354 WeakPolarHBondContact O-CA 3.33Å; Y339-G354 PolarHBondContact O-N 3.08Å
355F95.3Very high84.9Confident4 Ų442.8 Ų42.82%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-116.1137179.8-61.2-78.3000111I287 I294 L297 Q298 I301 V323 F325 Y339 S353I287-F355 HydrophobicContact CB-CD1 3.76Å; I287-F355 HydrophobicContact CB-CE1 3.96Å; I287-F355 HydrophobicContact CD1-CE1 3.88Å; I287-F355 HydrophobicContact CG2-CD1 3.82Å; I287-F355 HydrophobicContact CG2-CE1 3.93Å; I287-F355 CarbonylContact O-C 3.4Å; I287-F355 VanDerWaalsContact O-CA 3.27Å; I287-F355 WeakPolarHBondContact O-CA 3.3Å; I294-F355 HydrophobicContact CD1-CB 4.19Å; L297-F355 HydrophobicContact CD1-CD1 4.1Å; L297-F355 HydrophobicContact CD1-CE1 4.09Å; L297-F355 HydrophobicContact CD1-CG 4.47Å; L297-F355 HydrophobicContact CD1-CZ 4.44Å; L297-F355 HydrophobicContact CD2-CB 4.08Å; L297-F355 HydrophobicContact CD2-CD1 4.03Å; L297-F355 HydrophobicContact CD2-CD2 3.44Å; L297-F355 VanDerWaalsContact CD2-CD2 3.44Å; L297-F355 HydrophobicContact CD2-CE1 4.34Å; L297-F355 HydrophobicContact CD2-CE2 3.77Å; L297-F355 HydrophobicContact CD2-CG 3.58Å; L297-F355 HydrophobicContact CD2-CZ 4.22Å; Q298-F355 PolarHBondContact NE2-O 3.37Å; I301-F355 HydrophobicContact CD1-CD2 4.1Å; I301-F355 HydrophobicContact CD1-CE2 4.35Å; V323-F355 HydrophobicContact CB-CZ 4.09Å; V323-F355 HydrophobicContact CG1-CE1 4.38Å; V323-F355 HydrophobicContact CG1-CZ 4Å; V323-F355 HydrophobicContact CG2-CE2 4.25Å; V323-F355 HydrophobicContact CG2-CZ 3.95Å; F325-F355 HydrophobicContact CE2-CE1 4.49Å; F325-F355 HydrophobicContact CZ-CE1 4.2Å; Y339-F355 HydrophobicContact CD1-CE2 4.17Å; Y339-F355 HydrophobicContact CD1-CZ 4.34Å; Y339-F355 HydrophobicContact CD2-CD2 4.3Å; Y339-F355 AromaticContact CD2-CE2 3.56Å; Y339-F355 HydrophobicContact CD2-CE2 3.56Å; Y339-F355 HydrophobicContact CD2-CZ 4.45Å; Y339-F355 HydrophobicContact CE2-CE2 4.22Å; Y339-F355 AromaticContact CG-CE2 3.54Å; Y339-F355 HydrophobicContact CG-CE2 3.54Å; Y339-F355 AromaticContact CG-CZ 4Å; Y339-F355 HydrophobicContact CG-CZ 4Å; S353-F355 PolarHBondContact O-N 3.18Å; S353-F355 VanDerWaalsContact O-N 3.15Å; S353-F355 PolarHBondContact OG-N 2.8Å
356Q89.8Confident85.1Confident10 Ų1045.8 Ų45.85%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-138.4141.5179.7-176.9179.7-40.700112.6N72 L286 I287 T288 G289 I294N72-Q356 PolarHBondContact OD1-NE2 2.97Å; N72-Q356 VanDerWaalsContact OD1-NE2 3.08Å; N72-Q356 PolarHBondContact OD1-OE1 3.02Å; L286-Q356 HydrophobicContact CB-CB 4.46Å; L286-Q356 HydrophobicContact CD1-CB 3.87Å; L286-Q356 VanDerWaalsContact CD1-OE1 3.26Å; I287-Q356 PolarHBondContact O-N 3.18Å; T288-Q356 VanDerWaalsContact CA-O 3.24Å; T288-Q356 WeakPolarHBondContact CA-O 3.35Å; G289-Q356 PolarHBondContact N-O 3.02Å; I294-Q356 WeakPolarHBondContact CG1-O 3.42Å
357G88.1Confident85.6Confident2 Ų240 Ų402%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-68.9129.4172.700000110.7
358L84.3Confident86.4Confident2 Ų237.3 Ų37.31%0.0121%0.209CC..  trans-147.1113.2170.9174.258.4000109.3F56 E58 I71 T288 G289 I360 I369F56-L358 HydrophobicContact CD1-CD1 3.97Å; F56-L358 HydrophobicContact CE1-CD1 4.31Å; E58-L358 HydrophobicContact CB-CD1 4.04Å; I71-L358 HydrophobicContact CD1-CD1 3.17Å; I71-L358 HydrophobicContact CD1-CD2 3.47Å; I71-L358 VanDerWaalsContact CD1-CD2 3.47Å; I71-L358 HydrophobicContact CD1-CG 3.91Å; I71-L358 HydrophobicContact CG1-CD1 4.44Å; I71-L358 HydrophobicContact CG2-CD1 4.34Å; T288-L358 HydrophobicContact CG2-CB 4.46Å; T288-L358 HydrophobicContact CG2-CD2 4.48Å; G289-L358 CarbonylContact C-O 3.52Å; G289-L358 PolarHBondContact O-N 3.22Å; L358-I360 HydrophobicContact CD2-CD1 3.96Å; L358-I360 HydrophobicContact CD2-CG1 3.94Å; L358-I360 HydrophobicContact CG-CD1 4.45Å; L358-I360 HydrophobicContact CG-CG1 3.93Å; L358-I360 PolarHBondContact O-N 2.85Å; L358-I369 HydrophobicContact CD2-CD1 3.79Å
359D83.7Confident86.8Confident38 Ų3831.1 Ų31.120%0.20318%0.178CC..EExtended strand (participates in β ladder)trans-91.198.4174.9-65.7-46.5000110.4T57 E58 P290 S291T57-D359 HydrophobicContact CG2-CB 4.17Å; T57-D359 WeakPolarHBondContact CG2-OD2 3.47Å; E58-D359 CarbonylContact C-O 3.51Å; E58-D359 PolarHBondContact N-O 3.13Å; P290-D359 WeakPolarHBondContact CA-OD1 3.42Å; S291-D359 WeakPolarHBondContact CB-OD2 3.48Å; S291-D359 PolarHBondContact N-OD1 3.49Å; S291-D359 PolarHBondContact OG-OD1 3.34Å; S291-D359 PolarHBondContact OG-OD2 2.87Å
360I80.7Confident87.2Confident15 Ų1525.3 Ų25.38%0.07715%0.152CC..EExtended strand (participates in β ladder)trans-83.3118.9169.8-61.2174.8000108.2C60 L358 A364 G365 L367 I369C60-I360 HydrophobicContact CB-CG2 4.17Å; L358-I360 HydrophobicContact CD2-CD1 3.96Å; L358-I360 HydrophobicContact CD2-CG1 3.94Å; L358-I360 HydrophobicContact CG-CD1 4.45Å; L358-I360 HydrophobicContact CG-CG1 3.93Å; L358-I360 PolarHBondContact O-N 2.85Å; I360-A364 HydrophobicContact CG2-CB 3.82Å; I360-G365 VanDerWaalsContact O-CA 3.28Å; I360-G365 WeakPolarHBondContact O-CA 3.47Å; I360-L367 HydrophobicContact CD1-CB 4.08Å; I360-L367 HydrophobicContact CD1-CD1 4.37Å; I360-L367 HydrophobicContact CG2-CD1 4.47Å; I360-I369 HydrophobicContact CD1-CD1 4.17Å; I360-I369 HydrophobicContact CD1-CG1 4.48Å
361H76.3Confident87.4Confident87 Ų8723.5 Ų23.540%0.40314%0.144SC..PPolyproline II helixtrans-81.4159.7180-72.5-54.6000113.5E58 A364 G365E58-H361 PolarHBondContact O-CD2 2.73Å; H361-A364 PolarHBondContact O-N 3.12Å; H361-G365 PolarHBondContact O-N 3.45Å
362P74Confident87.3Confident97 Ų9723.4 Ų23.463%0.6314%0.143SC*.THydrogen-bonded Turntrans-56.1147172.8-25.735.1000112.2
363P72.8Confident87.4Confident80 Ų8023.2 Ų23.252%0.51914%0.142SC..THydrogen-bonded Turncis-95.66.311.837.7-36000114.5M62M62-P363 HydrophobicContact CB-CG 3.52Å; M62-P363 HydrophobicContact CE-CG 4Å; M62-P363 HydrophobicContact CG-CG 3.74Å
364A73.7Confident87.5Confident16 Ų1622.9 Ų22.913%0.13214%0.139CC..THydrogen-bonded Turntrans-82.9-46.8176.900000111.3I360 H361 L367I360-A364 HydrophobicContact CG2-CB 3.82Å; H361-A364 PolarHBondContact O-N 3.12Å; A364-L367 WeakPolarHBondContact O-CD1 3.4Å; A364-L367 WeakPolarHBondContact O-CG 3.44Å
365G77.3Confident87.5Confident13 Ų1323 Ų2313%0.13414%0.139CC..  trans-100.5174.9-174.800000116.2I360 H361I360-G365 VanDerWaalsContact O-CA 3.28Å; I360-G365 WeakPolarHBondContact O-CA 3.47Å; H361-G365 PolarHBondContact O-N 3.45Å
366P86.9Confident87.5Confident101 Ų10124 Ų2466%0.65614%0.143SC*.SBendcis-771437.631-35.5000113.7P290P290-P366 HydrophobicContact CG-CB 4.08Å
367L90.6Very high87.8Confident5 Ų526.6 Ų26.63%0.02616%0.155CC..  trans-138154.8-178.7-69.1168.7000111.2Q257 Q277 I279 I360 A364Q257-L367 HydrophobicContact CG-CD2 4.37Å; Q277-L367 HydrophobicContact CB-CD2 3.35Å; Q277-L367 HydrophobicContact CG-CD2 4.47Å; I279-L367 HydrophobicContact CD1-CD1 3.74Å; I279-L367 HydrophobicContact CG1-CD1 4.33Å; I360-L367 HydrophobicContact CD1-CB 4.08Å; I360-L367 HydrophobicContact CD1-CD1 4.37Å; I360-L367 HydrophobicContact CG2-CD1 4.47Å; A364-L367 WeakPolarHBondContact O-CD1 3.4Å; A364-L367 WeakPolarHBondContact O-CG 3.44Å
368W95.8Very high88.3Confident7 Ų727.2 Ų27.23%0.02716%0.158CC..EExtended strand (participates in β ladder)trans-98151.9160.2-69.577000110L260 I263 F271 Q277 A278 I279 I287 T288 K293 I294 L297 F325L260-W368 HydrophobicContact CD2-CG 4.42Å; I263-W368 HydrophobicContact CD1-CD2 3.61Å; I263-W368 HydrophobicContact CD1-CE3 3.86Å; I263-W368 HydrophobicContact CD1-CG 4.31Å; I263-W368 HydrophobicContact CD1-CH2 3.65Å; I263-W368 HydrophobicContact CD1-CZ2 3.37Å; I263-W368 HydrophobicContact CD1-CZ3 3.88Å; F271-W368 HydrophobicContact CB-CZ2 4.31Å; F271-W368 HydrophobicContact CD2-CH2 4.29Å; F271-W368 HydrophobicContact CD2-CZ2 4.35Å; F271-W368 HydrophobicContact CG-CZ2 4.33Å; Q277-W368 PolarHBondContact O-N 3.47Å; A278-W368 CarbonylContact C-O 3.51Å; A278-W368 WeakPolarHBondContact CA-O 3.37Å; A278-W368 HydrophobicContact CB-CB 4.08Å; I279-W368 PolarHBondContact N-O 3.36Å; I287-W368 HydrophobicContact CG2-CE3 4.19Å; I287-W368 HydrophobicContact CG2-CZ3 4.47Å; T288-W368 CarbonylContact O-C 3.55Å; T288-W368 VanDerWaalsContact O-CA 3.24Å; T288-W368 WeakPolarHBondContact O-CA 3.47Å; T288-W368 VanDerWaalsContact O-CE3 3.22Å; K293-W368 HydrophobicContact CB-CH2 4.42Å; K293-W368 HydrophobicContact CB-CZ2 4.05Å; I294-W368 HydrophobicContact CD1-CH2 4.06Å; I294-W368 HydrophobicContact CD1-CZ3 3.7Å; L297-W368 HydrophobicContact CD1-CH2 4.39Å; F325-W368 HydrophobicContact CE1-CE3 4.31Å
369I95.1Very high88.9Confident2 Ų227.1 Ų27.11%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-119.1126.2170.1-55179000108.4I279 D281 T284 I287 T288 L358 I360I279-I369 CarbonylContact O-C 3.59Å; I279-I369 WeakPolarHBondContact O-CA 3.36Å; D281-I369 HydrophobicContact CB-CG2 3.45Å; D281-I369 VanDerWaalsContact CB-CG2 3.45Å; T284-I369 HydrophobicContact CG2-CG2 4.12Å; I287-I369 CarbonylContact C-O 3.5Å; I287-I369 VanDerWaalsContact CA-O 3.28Å; I287-I369 WeakPolarHBondContact CA-O 3.11Å; T288-I369 HydrophobicContact CG2-CB 4.48Å; T288-I369 PolarHBondContact N-O 2.91Å; T288-I369 PolarHBondContact O-N 3.03Å; T288-I369 VanDerWaalsContact OG1-CB 3.23Å; T288-I369 WeakPolarHBondContact OG1-CB 3.34Å; T288-I369 WeakPolarHBondContact OG1-CD1 3.33Å; T288-I369 VanDerWaalsContact OG1-CG1 3.28Å; T288-I369 WeakPolarHBondContact OG1-CG1 3.22Å; L358-I369 HydrophobicContact CD2-CD1 3.79Å; I360-I369 HydrophobicContact CD1-CD1 4.17Å; I360-I369 HydrophobicContact CD1-CG1 4.48Å
370L97.5Very high89.6Confident0 Ų025.3 Ų25.30%015%0.147CC..EExtended strand (participates in β ladder)trans-98.389.3176.8-56-178.4000108.5A278 I279 V280 D281 I287 F325 I327 F374A278-L370 HydrophobicContact CB-CD1 4.26Å; A278-L370 HydrophobicContact CB-CG 4.22Å; I279-L370 PolarHBondContact O-N 2.95Å; V280-L370 HydrophobicContact CG2-CD1 4.4Å; D281-L370 PolarHBondContact N-O 2.86Å; I287-L370 HydrophobicContact CG2-CD2 4.44Å; F325-L370 HydrophobicContact CD1-CD2 3.88Å; F325-L370 HydrophobicContact CE1-CD2 3.84Å; F325-L370 HydrophobicContact CG-CD2 4.45Å; F325-L370 HydrophobicContact CZ-CD2 4.39Å; I327-L370 HydrophobicContact CD1-CD1 4Å; L370-F374 HydrophobicContact CB-CB 4.01Å; L370-F374 HydrophobicContact CB-CD1 4.02Å; L370-F374 HydrophobicContact CB-CD2 4.49Å; L370-F374 HydrophobicContact CB-CG 3.93Å; L370-F374 HydrophobicContact CD1-CD1 4.29Å; L370-F374 HydrophobicContact CD1-CD2 4.33Å; L370-F374 HydrophobicContact CD1-CE1 4.16Å; L370-F374 HydrophobicContact CD1-CE2 4.19Å; L370-F374 HydrophobicContact CD1-CG 4.38Å; L370-F374 HydrophobicContact CD1-CZ 4.11Å; L370-F374 HydrophobicContact CD2-CD2 4.25Å; L370-F374 HydrophobicContact CD2-CG 4.49Å; L370-F374 HydrophobicContact CG-CG 4.49Å
371G94.8Very high90.5Very high0 Ų024.6 Ų24.60%014%0.144CC..  trans-82.3-163-17800000115.6D281 T284 V373 F374 I375D281-G371 WeakPolarHBondContact O-CA 3.15Å; T284-G371 CarbonylContact O-C 3.32Å; T284-G371 WeakPolarHBondContact O-CA 3.45Å; G371-V373 PolarHBondContact O-N 3.04Å; G371-V373 VanDerWaalsContact O-N 3.1Å; G371-F374 WeakPolarHBondContact O-CA 2.77Å; G371-F374 WeakPolarHBondContact O-CB 3.08Å; G371-F374 PolarHBondContact O-N 3.28Å; G371-I375 PolarHBondContact O-N 3.21Å
372D92.9Very high91.6Very high2 Ų220.5 Ų20.51%0.01113%0.125CC..Hα-helixtrans-51-36.5179.1-62.6-4.7000113.6Y78 M219 T284 S285 F374 I375 R376Y78-D372 VanDerWaalsContact CD2-OD2 3.29Å; Y78-D372 WeakPolarHBondContact CD2-OD2 3.46Å; Y78-D372 HydrophobicContact CE2-CB 4.34Å; Y78-D372 WeakPolarHBondContact CE2-OD2 3.35Å; M219-D372 WeakPolarHBondContact CE-OD1 3.27Å; M219-D372 HydrophobicContact SD-CB 3.88Å; T284-D372 PolarHBondContact O-N 3.43Å; S285-D372 WeakPolarHBondContact O-CB 3.46Å; S285-D372 PolarHBondContact O-N 3.27Å; D372-F374 PolarHBondContact O-N 3.35Å; D372-I375 PolarHBondContact O-N 3.03Å; D372-R376 VanDerWaalsContact O-CB 3.29Å; D372-R376 WeakPolarHBondContact O-CB 3.45Å; D372-R376 WeakPolarHBondContact O-CG 3.26Å; D372-R376 PolarHBondContact O-N 3.28Å; D372-R376 PolarHBondContact O-NE 3.45Å
373V94.8Very high92.7Very high0 Ų015.9 Ų15.90%010%0.095CC..Hα-helixtrans-52.8-40.5174.6166.30000111.5S285 I287 L334 L341 G371S285-V373 WeakPolarHBondContact O-CG2 3.41Å; S285-V373 PolarHBondContact O-N 2.9Å; I287-V373 HydrophobicContact CD1-CB 4.24Å; I287-V373 HydrophobicContact CD1-CG1 3.68Å; I287-V373 HydrophobicContact CG1-CB 4.12Å; I287-V373 HydrophobicContact CG1-CG1 4.09Å; L334-V373 HydrophobicContact CD1-CG1 4.22Å; L341-V373 HydrophobicContact CD2-CG2 4.21Å; G371-V373 PolarHBondContact O-N 3.04Å; G371-V373 VanDerWaalsContact O-N 3.1Å
374F97.7Very high93.9Very high0 Ų013.6 Ų13.60%08%0.076CC..Hα-helixtrans-79.1-49.3175.4-174.9-90.3000111.6I287 F325 I327 Y332 L370 G371 D372 R376 Q377 F378 L391I287-F374 HydrophobicContact CD1-CB 4.23Å; I287-F374 HydrophobicContact CG1-CB 4.4Å; F325-F374 HydrophobicContact CB-CE2 4.38Å; F325-F374 HydrophobicContact CD2-CD2 4.48Å; I327-F374 HydrophobicContact CD1-CE2 4.48Å; I327-F374 HydrophobicContact CD1-CZ 4Å; Y332-F374 HydrophobicContact CD1-CZ 4.1Å; Y332-F374 HydrophobicContact CG-CE2 4.3Å; Y332-F374 HydrophobicContact CG-CZ 4.01Å; L370-F374 HydrophobicContact CB-CB 4.01Å; L370-F374 HydrophobicContact CB-CD1 4.02Å; L370-F374 HydrophobicContact CB-CD2 4.49Å; L370-F374 HydrophobicContact CB-CG 3.93Å; L370-F374 HydrophobicContact CD1-CD1 4.29Å; L370-F374 HydrophobicContact CD1-CD2 4.33Å; L370-F374 HydrophobicContact CD1-CE1 4.16Å; L370-F374 HydrophobicContact CD1-CE2 4.19Å; L370-F374 HydrophobicContact CD1-CG 4.38Å; L370-F374 HydrophobicContact CD1-CZ 4.11Å; L370-F374 HydrophobicContact CD2-CD2 4.25Å; L370-F374 HydrophobicContact CD2-CG 4.49Å; L370-F374 HydrophobicContact CG-CG 4.49Å; G371-F374 WeakPolarHBondContact O-CA 2.77Å; G371-F374 WeakPolarHBondContact O-CB 3.08Å; G371-F374 PolarHBondContact O-N 3.28Å; D372-F374 PolarHBondContact O-N 3.35Å; F374-R376 VanDerWaalsContact C-N 3.29Å; F374-R376 PolarHBondContact O-N 2.64Å; F374-Q377 PolarHBondContact O-N 2.96Å; F374-F378 HydrophobicContact CD1-CB 4.39Å; F374-F378 AromaticContact CD1-CD2 3.99Å; F374-F378 HydrophobicContact CD1-CD2 3.99Å; F374-F378 AromaticContact CD2-CD2 3.73Å; F374-F378 HydrophobicContact CD2-CD2 3.73Å; F374-F378 AromaticContact CD2-CE2 3.97Å; F374-F378 HydrophobicContact CD2-CE2 3.97Å; F374-F378 HydrophobicContact CE1-CB 3.95Å; F374-F378 AromaticContact CE1-CD2 3.77Å; F374-F378 HydrophobicContact CE1-CD2 3.77Å; F374-F378 HydrophobicContact CE1-CG 4.21Å; F374-F378 AromaticContact CE2-CD2 3.49Å; F374-F378 HydrophobicContact CE2-CD2 3.49Å; F374-F378 VanDerWaalsContact CE2-CD2 3.49Å; F374-F378 AromaticContact CE2-CE2 3.72Å; F374-F378 HydrophobicContact CE2-CE2 3.72Å; F374-F378 HydrophobicContact CE2-CG 4.49Å; F374-F378 AromaticContact CG-CD2 3.97Å; F374-F378 HydrophobicContact CG-CD2 3.97Å; F374-F378 HydrophobicContact CZ-CB 4.31Å; F374-F378 AromaticContact CZ-CD2 3.51Å; F374-F378 HydrophobicContact CZ-CD2 3.51Å; F374-F378 HydrophobicContact CZ-CE2 4.15Å; F374-F378 HydrophobicContact CZ-CG 4.11Å; F374-F378 WeakPolarHBondContact O-CD2 3.31Å; F374-F378 PolarHBondContact O-N 3.11Å; F374-L391 HydrophobicContact CE1-CD1 4.18Å; F374-L391 HydrophobicContact CE1-CD2 4.05Å; F374-L391 HydrophobicContact CZ-CD1 4.2Å
375I96.6Very high95.1Very high1 Ų114.9 Ų14.91%0.0059%0.091CC..Hα-helixtrans-65.9-29.6-172.1-59.3173.7000112.4V217 M219 V280 T282 G371 D372 Q377 F378V217-I375 HydrophobicContact CG1-CG2 4.23Å; M219-I375 HydrophobicContact CE-CB 4.42Å; M219-I375 HydrophobicContact CE-CG2 4.06Å; M219-I375 HydrophobicContact CG-CG2 4.16Å; M219-I375 HydrophobicContact SD-CB 3.89Å; M219-I375 HydrophobicContact SD-CG2 3.74Å; V280-I375 HydrophobicContact CG1-CD1 4.01Å; V280-I375 HydrophobicContact CG1-CG1 4.18Å; T282-I375 HydrophobicContact CG2-CD1 3.85Å; G371-I375 PolarHBondContact O-N 3.21Å; D372-I375 PolarHBondContact O-N 3.03Å; I375-Q377 PolarHBondContact O-N 3.12Å; I375-F378 CarbonylContact O-C 3.52Å; I375-F378 PolarHBondContact O-N 2.83Å
376R94.3Very high96.1Very high26 Ų2619 Ų1910%0.09811%0.109CC..THydrogen-bonded Turntrans-62.4-28171.4-74.3178.9-48.4-161.112113.7Y78 M219 D372 F374Y78-R376 WeakPolarHBondContact OH-CD 3.37Å; M219-R376 HydrophobicContact CB-CB 4.36Å; M219-R376 HydrophobicContact CB-CG 3.53Å; M219-R376 HydrophobicContact SD-CG 4.22Å; D372-R376 VanDerWaalsContact O-CB 3.29Å; D372-R376 WeakPolarHBondContact O-CB 3.45Å; D372-R376 WeakPolarHBondContact O-CG 3.26Å; D372-R376 PolarHBondContact O-N 3.28Å; D372-R376 PolarHBondContact O-NE 3.45Å; F374-R376 VanDerWaalsContact C-N 3.29Å; F374-R376 PolarHBondContact O-N 2.64Å
377Q96.6Very high96.6Very high64 Ų6416.7 Ų16.730%0.2999%0.091SC..THydrogen-bonded Turntrans-94.3-26.1179.2-56.7-50.1-71.300111.8L334 A338 F374 I375 A394L334-Q377 HydrophobicContact CD2-CB 3.88Å; L334-Q377 HydrophobicContact CD2-CG 3.53Å; A338-Q377 HydrophobicContact CB-CG 3.74Å; F374-Q377 PolarHBondContact O-N 2.96Å; I375-Q377 PolarHBondContact O-N 3.12Å; Q377-A394 PolarHBondContact O-N 3.41Å
378F97.8Very high97Very high16 Ų1619.8 Ų19.87%0.0710%0.103CC..EExtended strand (participates in β ladder)trans-128.9107.2-174.4-53.3-66.3000110.6Y332 L334 F374 I375 S380 A392Y332-F378 HydrophobicContact CD1-CB 4.49Å; Y332-F378 AromaticContact CD1-CD1 3.6Å; Y332-F378 HydrophobicContact CD1-CD1 3.6Å; Y332-F378 HydrophobicContact CD1-CD2 4.19Å; Y332-F378 AromaticContact CD1-CE1 3.79Å; Y332-F378 HydrophobicContact CD1-CE1 3.79Å; Y332-F378 HydrophobicContact CD1-CE2 4.36Å; Y332-F378 AromaticContact CD1-CG 3.82Å; Y332-F378 HydrophobicContact CD1-CG 3.82Å; Y332-F378 HydrophobicContact CD1-CZ 4.17Å; Y332-F378 HydrophobicContact CE1-CD1 4.35Å; Y332-F378 HydrophobicContact CG-CE1 4.45Å; Y332-F378 HydrophobicContact CG-CZ 4.44Å; L334-F378 HydrophobicContact CD2-CD2 4.5Å; L334-F378 HydrophobicContact CD2-CE2 3.68Å; L334-F378 HydrophobicContact CD2-CZ 4.42Å; L334-F378 HydrophobicContact CG-CE2 4.41Å; F374-F378 HydrophobicContact CD1-CB 4.39Å; F374-F378 AromaticContact CD1-CD2 3.99Å; F374-F378 HydrophobicContact CD1-CD2 3.99Å; F374-F378 AromaticContact CD2-CD2 3.73Å; F374-F378 HydrophobicContact CD2-CD2 3.73Å; F374-F378 AromaticContact CD2-CE2 3.97Å; F374-F378 HydrophobicContact CD2-CE2 3.97Å; F374-F378 HydrophobicContact CE1-CB 3.95Å; F374-F378 AromaticContact CE1-CD2 3.77Å; F374-F378 HydrophobicContact CE1-CD2 3.77Å; F374-F378 HydrophobicContact CE1-CG 4.21Å; F374-F378 AromaticContact CE2-CD2 3.49Å; F374-F378 HydrophobicContact CE2-CD2 3.49Å; F374-F378 VanDerWaalsContact CE2-CD2 3.49Å; F374-F378 AromaticContact CE2-CE2 3.72Å; F374-F378 HydrophobicContact CE2-CE2 3.72Å; F374-F378 HydrophobicContact CE2-CG 4.49Å; F374-F378 AromaticContact CG-CD2 3.97Å; F374-F378 HydrophobicContact CG-CD2 3.97Å; F374-F378 HydrophobicContact CZ-CB 4.31Å; F374-F378 AromaticContact CZ-CD2 3.51Å; F374-F378 HydrophobicContact CZ-CD2 3.51Å; F374-F378 HydrophobicContact CZ-CE2 4.15Å; F374-F378 HydrophobicContact CZ-CG 4.11Å; F374-F378 WeakPolarHBondContact O-CD2 3.31Å; F374-F378 PolarHBondContact O-N 3.11Å; I375-F378 CarbonylContact O-C 3.52Å; I375-F378 PolarHBondContact O-N 2.83Å; F378-S380 PolarHBondContact O-N 3.26Å; F378-S380 PolarHBondContact O-OG 3.26Å; F378-A392 CarbonylContact C-O 3.57Å; F378-A392 WeakPolarHBondContact CA-O 3.3Å
379Y97.8Very high97.2Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-54.3130172.4-176.9-95.9000109.5S216 V217 Y218 Y236 D237 H240 F241 L245 V381 L391 A392S216-Y379 WeakPolarHBondContact CB-OH 3.47Å; S216-Y379 PolarHBondContact OG-OH 3.44Å; V217-Y379 WeakPolarHBondContact O-CD2 3.45Å; Y218-Y379 HydrophobicContact CD2-CD2 4.22Å; Y218-Y379 HydrophobicContact CG-CD2 4.48Å; Y236-Y379 WeakPolarHBondContact CA-OH 3.37Å; Y236-Y379 VanDerWaalsContact CB-OH 3.31Å; Y236-Y379 WeakPolarHBondContact CB-OH 3.27Å; D237-Y379 PolarHBondContact N-OH 3.14Å; H240-Y379 HydrophobicContact CB-CD2 3.74Å; H240-Y379 HydrophobicContact CB-CE2 3.69Å; F241-Y379 HydrophobicContact CB-CD1 4.38Å; F241-Y379 HydrophobicContact CB-CG 4.2Å; F241-Y379 AromaticContact CD1-CD1 3.43Å; F241-Y379 HydrophobicContact CD1-CD1 3.43Å; F241-Y379 VanDerWaalsContact CD1-CD1 3.43Å; F241-Y379 AromaticContact CD1-CE1 3.67Å; F241-Y379 HydrophobicContact CD1-CE1 3.67Å; F241-Y379 AromaticContact CD1-CG 3.92Å; F241-Y379 HydrophobicContact CD1-CG 3.92Å; F241-Y379 AromaticContact CE1-CD1 3.99Å; F241-Y379 HydrophobicContact CE1-CD1 3.99Å; F241-Y379 AromaticContact CE1-CE1 3.84Å; F241-Y379 HydrophobicContact CE1-CE1 3.84Å; F241-Y379 HydrophobicContact CG-CD1 4.18Å; F241-Y379 HydrophobicContact CG-CG 4.46Å; L245-Y379 HydrophobicContact CD2-CD1 4.34Å; Y379-V381 HydrophobicContact CD1-CG2 3.95Å; Y379-V381 HydrophobicContact CE1-CG2 3.49Å; Y379-V381 VanDerWaalsContact CE1-CG2 3.49Å; Y379-L391 WeakPolarHBondContact O-CA 3.49Å; Y379-A392 PolarHBondContact N-O 2.99Å; Y379-A392 PolarHBondContact O-N 2.92Å; Y379-A392 VanDerWaalsContact O-N 3.12Å
380S98.5Very high97.3Very high0 Ų019.4 Ų19.40%010%0.101CC..EExtended strand (participates in β ladder)trans-122.1126.1-167.3-650000110.7S216 V217 F378 G390 L391S216-S380 CarbonylContact C-O 3.57Å; S216-S380 VanDerWaalsContact CA-O 3.26Å; S216-S380 WeakPolarHBondContact CA-O 3.12Å; V217-S380 PolarHBondContact N-O 2.96Å; V217-S380 PolarHBondContact O-N 3.2Å; F378-S380 PolarHBondContact O-N 3.26Å; F378-S380 PolarHBondContact O-OG 3.26Å; S380-G390 CarbonylContact C-O 3.6Å; S380-G390 WeakPolarHBondContact CA-O 3.19Å; S380-L391 WeakPolarHBondContact OG-CD2 3.35Å
381V98.8Very high97.4Very high0 Ų019.4 Ų19.40%010%0.102CC..EExtended strand (participates in β ladder)trans-114.9131.2177.1-174.50000109.4M214 Y236 L245 W247 Y379 V389 G390M214-V381 HydrophobicContact CB-CG1 4.49Å; M214-V381 HydrophobicContact SD-CG1 4.11Å; Y236-V381 HydrophobicContact CD1-CG1 4.01Å; Y236-V381 HydrophobicContact CD1-CG2 4.25Å; Y236-V381 HydrophobicContact CG-CG2 4.07Å; L245-V381 HydrophobicContact CD1-CG2 3.89Å; L245-V381 HydrophobicContact CD2-CG2 3.78Å; W247-V381 HydrophobicContact CH2-CB 4.17Å; W247-V381 HydrophobicContact CH2-CG1 3.78Å; W247-V381 HydrophobicContact CZ3-CB 4.25Å; W247-V381 HydrophobicContact CZ3-CG1 4.09Å; Y379-V381 HydrophobicContact CD1-CG2 3.95Å; Y379-V381 HydrophobicContact CE1-CG2 3.49Å; Y379-V381 VanDerWaalsContact CE1-CG2 3.49Å; V381-V389 CarbonylContact O-C 3.57Å; V381-V389 VanDerWaalsContact O-CA 3.24Å; V381-V389 WeakPolarHBondContact O-CA 3.36Å; V381-G390 PolarHBondContact N-O 3.04Å; V381-G390 PolarHBondContact O-N 3.31Å
382F98.8Very high97.5Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-113.4100.1-176.2-60.4-92.1000108.9T97 M214 F215 V217 W256 V280 T282 V389T97-F382 HydrophobicContact CG2-CD1 4.33Å; T97-F382 HydrophobicContact CG2-CE1 3.94Å; T97-F382 HydrophobicContact CG2-CE2 4.32Å; T97-F382 HydrophobicContact CG2-CZ 3.93Å; M214-F382 WeakPolarHBondContact CA-O 3.39Å; M214-F382 VanDerWaalsContact CB-O 3.31Å; M214-F382 WeakPolarHBondContact CB-O 3.37Å; F215-F382 HydrophobicContact CD1-CB 4.08Å; F215-F382 HydrophobicContact CD2-CB 3.97Å; F215-F382 AromaticContact CD2-CD2 3.69Å; F215-F382 HydrophobicContact CD2-CD2 3.69Å; F215-F382 HydrophobicContact CD2-CG 4.12Å; F215-F382 HydrophobicContact CE1-CB 3.66Å; F215-F382 HydrophobicContact CE1-CG 4.39Å; F215-F382 HydrophobicContact CE2-CB 3.54Å; F215-F382 HydrophobicContact CE2-CD1 4.27Å; F215-F382 AromaticContact CE2-CD2 3.24Å; F215-F382 HydrophobicContact CE2-CD2 3.24Å; F215-F382 AromaticContact CE2-CE2 3.95Å; F215-F382 HydrophobicContact CE2-CE2 3.95Å; F215-F382 AromaticContact CE2-CG 3.43Å; F215-F382 HydrophobicContact CE2-CG 3.43Å; F215-F382 VanDerWaalsContact CE2-CG 3.43Å; F215-F382 HydrophobicContact CG-CB 4.22Å; F215-F382 HydrophobicContact CZ-CB 3.35Å; F215-F382 HydrophobicContact CZ-CD1 4.2Å; F215-F382 AromaticContact CZ-CD2 3.93Å; F215-F382 HydrophobicContact CZ-CD2 3.93Å; F215-F382 AromaticContact CZ-CG 3.58Å; F215-F382 HydrophobicContact CZ-CG 3.58Å; F215-F382 PolarHBondContact N-O 3.09Å; F215-F382 VanDerWaalsContact N-O 3.08Å; F215-F382 PolarHBondContact O-N 3.38Å; V217-F382 HydrophobicContact CB-CE2 4.4Å; V217-F382 HydrophobicContact CG2-CD2 4.42Å; V217-F382 HydrophobicContact CG2-CE2 3.9Å; W256-F382 HydrophobicContact CB-CD1 4.11Å; W256-F382 HydrophobicContact CB-CE1 4.09Å; W256-F382 AromaticContact CD1-CD1 3.94Å; W256-F382 HydrophobicContact CD2-CB 4.25Å; W256-F382 AromaticContact CD2-CD1 3.48Å; W256-F382 HydrophobicContact CD2-CD1 3.48Å; W256-F382 VanDerWaalsContact CD2-CD1 3.48Å; W256-F382 HydrophobicContact CD2-CE1 4.31Å; W256-F382 HydrophobicContact CD2-CG 4.33Å; W256-F382 AromaticContact CE2-CD1 3.78Å; W256-F382 HydrophobicContact CE3-CB 4.24Å; W256-F382 AromaticContact CE3-CD1 3.86Å; W256-F382 HydrophobicContact CE3-CD1 3.86Å; W256-F382 AromaticContact CG-CD1 3.58Å; W256-F382 HydrophobicContact CG-CD1 3.58Å; W256-F382 AromaticContact CG-CE1 3.93Å; W256-F382 HydrophobicContact CG-CE1 3.93Å; W256-F382 HydrophobicContact CH2-CB 3.67Å; W256-F382 HydrophobicContact CZ2-CB 3.71Å; W256-F382 HydrophobicContact CZ2-CD1 4.38Å; W256-F382 HydrophobicContact CZ2-CG 4.49Å; W256-F382 HydrophobicContact CZ3-CB 3.95Å; W256-F382 HydrophobicContact CZ3-CD1 4.44Å; V280-F382 HydrophobicContact CB-CE1 4.15Å; V280-F382 HydrophobicContact CG1-CE1 3.95Å; V280-F382 HydrophobicContact CG1-CZ 3.82Å; T282-F382 HydrophobicContact CG2-CZ 4.47Å; F382-V389 HydrophobicContact CD1-CG2 4.38Å
383D98.7Very high97.8Very high0 Ų022.4 Ų22.40%012%0.121CC..EExtended strand (participates in β ladder)trans-100.199.1-172.3179.8-9.6000110.3M214 W247 G385 N386 N387 R388M214-D383 HydrophobicContact CB-CB 4.24Å; M214-D383 HydrophobicContact CE-CB 4.47Å; W247-D383 HydrophobicContact CH2-CB 4.42Å; W247-D383 HydrophobicContact CZ3-CB 3.85Å; D383-G385 VanDerWaalsContact C-N 3.33Å; D383-G385 WeakPolarHBondContact OD1-CA 3.17Å; D383-G385 PolarHBondContact OD1-N 3.22Å; D383-N386 PolarHBondContact OD1-N 2.93Å; D383-N386 PolarHBondContact OD1-ND2 3.23Å; D383-N386 WeakPolarHBondContact OD2-CB 3.01Å; D383-N386 PolarHBondContact OD2-ND2 3.14Å; D383-N387 VanDerWaalsContact O-CA 3.3Å; D383-N387 WeakPolarHBondContact O-CA 3.41Å; D383-N387 PolarHBondContact O-N 2.86Å; D383-R388 HydrophobicContact CB-CG 3.79Å; D383-R388 PolarHBondContact N-O 3.32Å; D383-R388 PolarHBondContact O-N 3.3Å; D383-R388 VanDerWaalsContact O-N 3.13Å; D383-R388 IonicContact OD2-CZ 2.67Å; D383-R388 IonicContact OD2-NE 3.79Å; D383-R388 PolarHBondContact OD2-NE 2.87Å; D383-R388 IonicContact OD2-NH2 2.99Å; D383-R388 PolarHBondContact OD2-NH2 3.35Å; D383-R388 VanDerWaalsContact OD2-NH2 3.08Å
384R97.9Very high97.8Very high33 Ų3323.6 Ų23.613%0.12513%0.131CC..THydrogen-bonded Turntrans-71-29176.4-71.9-66.6-59.6-76.6-10112.1F201 D202 M205 P213 W256 N386F201-R384 HydrophobicContact CD1-CG 3.82Å; F201-R384 HydrophobicContact CE1-CB 4.16Å; F201-R384 HydrophobicContact CE1-CG 3.61Å; D202-R384 VanDerWaalsContact CG-NH1 3.35Å; D202-R384 IonicContact OD1-CZ 3.4Å; D202-R384 IonicContact OD1-NH1 2.93Å; D202-R384 PolarHBondContact OD1-NH1 3.42Å; D202-R384 IonicContact OD1-NH2 3.08Å; D202-R384 PolarHBondContact OD1-NH2 3.42Å; D202-R384 IonicContact OD2-CZ 2.82Å; D202-R384 IonicContact OD2-NH1 3.04Å; D202-R384 PolarHBondContact OD2-NH1 3.03Å; D202-R384 IonicContact OD2-NH2 2.82Å; M205-R384 HydrophobicContact CE-CB 4.04Å; M205-R384 HydrophobicContact CE-CG 4.13Å; M205-R384 HydrophobicContact SD-CB 3.86Å; M205-R384 HydrophobicContact SD-CG 4.39Å; P213-R384 WeakPolarHBondContact O-CA 3.38Å; P213-R384 WeakPolarHBondContact O-CB 3.49Å; P213-R384 PolarHBondContact O-N 2.69Å; W256-R384 HydrophobicContact CH2-CG 3.67Å; W256-R384 HydrophobicContact CZ2-CG 3.87Å; R384-N386 VanDerWaalsContact C-N 3.33Å; R384-N386 PolarHBondContact O-N 3.17Å
385G97.3Very high97.4Very high43 Ų4325.7 Ų25.744%0.44314%0.144SC..THydrogen-bonded Turntrans-64.5-37.3179.100000113P213 D383P213-G385 PolarHBondContact O-N 3.25Å; D383-G385 VanDerWaalsContact C-N 3.33Å; D383-G385 WeakPolarHBondContact OD1-CA 3.17Å; D383-G385 PolarHBondContact OD1-N 3.22Å
386N98.3Very high96.1Very high99 Ų9932 Ų3253%0.52918%0.184SC..THydrogen-bonded Turntrans-112.50.7-178.4-60.6-76000114.2D383 R384 R388D383-N386 PolarHBondContact OD1-N 2.93Å; D383-N386 PolarHBondContact OD1-ND2 3.23Å; D383-N386 WeakPolarHBondContact OD2-CB 3.01Å; D383-N386 PolarHBondContact OD2-ND2 3.14Å; R384-N386 VanDerWaalsContact C-N 3.33Å; R384-N386 PolarHBondContact O-N 3.17Å; N386-R388 HydrophobicContact CB-CG 3.91Å
387N98.6Very high96.1Very high52 Ų5232.3 Ų32.328%0.27819%0.189SC..THydrogen-bonded Turntrans52.460.4-176.5-56.3-72.3000112.5Y189 V250 Q253 D383Y189-N387 WeakPolarHBondContact CE1-OD1 3.43Å; V250-N387 HydrophobicContact CB-CB 4.47Å; V250-N387 WeakPolarHBondContact CB-O 3.49Å; V250-N387 PolarHBondContact N-O 3.48Å; Q253-N387 PolarHBondContact NE2-OD1 2.98Å; D383-N387 VanDerWaalsContact O-CA 3.3Å; D383-N387 WeakPolarHBondContact O-CA 3.41Å; D383-N387 PolarHBondContact O-N 2.86Å
388R98.7Very high96.1Very high71 Ų7130.6 Ų30.627%0.26818%0.183SC..EExtended strand (participates in β ladder)trans-149.2158.2-177.260.9-174.2-176.6170.8-0.3111.7W247 V248 D383 N386W247-R388 HydrophobicContact CD2-CG 4.48Å; W247-R388 HydrophobicContact CE3-CB 4.49Å; W247-R388 HydrophobicContact CE3-CG 3.66Å; W247-R388 HydrophobicContact CZ3-CG 4.13Å; V248-R388 CarbonylContact O-C 3.39Å; V248-R388 WeakPolarHBondContact O-CA 3.48Å; V248-R388 VanDerWaalsContact O-CB 3.26Å; V248-R388 WeakPolarHBondContact O-CB 3.41Å; D383-R388 HydrophobicContact CB-CG 3.79Å; D383-R388 PolarHBondContact N-O 3.32Å; D383-R388 PolarHBondContact O-N 3.3Å; D383-R388 VanDerWaalsContact O-N 3.13Å; D383-R388 IonicContact OD2-CZ 2.67Å; D383-R388 IonicContact OD2-NE 3.79Å; D383-R388 PolarHBondContact OD2-NE 2.87Å; D383-R388 IonicContact OD2-NH2 2.99Å; D383-R388 PolarHBondContact OD2-NH2 3.35Å; D383-R388 VanDerWaalsContact OD2-NH2 3.08Å; N386-R388 HydrophobicContact CB-CG 3.91Å
389V98.8Very high96Very high0 Ų031.4 Ų31.40%019%0.189CC..EExtended strand (participates in β ladder)trans-108.4133170.9-178.80000108.7W247 V248 V250 W256 I258 V280 V381 F382 L391W247-V389 CarbonylContact C-O 3.52Å; W247-V389 WeakPolarHBondContact CA-O 3.17Å; V248-V389 PolarHBondContact N-O 2.88Å; V248-V389 PolarHBondContact O-N 2.74Å; V250-V389 HydrophobicContact CG2-CG2 4.49Å; W256-V389 HydrophobicContact CB-CG2 4.33Å; W256-V389 HydrophobicContact CE3-CG2 3.88Å; I258-V389 HydrophobicContact CG2-CB 4.21Å; I258-V389 HydrophobicContact CG2-CG2 3.97Å; V280-V389 HydrophobicContact CG2-CG1 4.33Å; V381-V389 CarbonylContact O-C 3.57Å; V381-V389 VanDerWaalsContact O-CA 3.24Å; V381-V389 WeakPolarHBondContact O-CA 3.36Å; F382-V389 HydrophobicContact CD1-CG2 4.38Å; V389-L391 HydrophobicContact CG1-CD2 3.91Å; V389-L391 HydrophobicContact CG1-CG 4.12Å
390G98.8Very high95.9Very high0 Ų033.2 Ų33.20%020%0.2CC..EExtended strand (participates in β ladder)trans-101.3129.9171.800000110S246 W247 S380 V381S246-G390 WeakPolarHBondContact O-CA 3.46Å; W247-G390 VanDerWaalsContact CE3-CA 3.48Å; S380-G390 CarbonylContact C-O 3.6Å; S380-G390 WeakPolarHBondContact CA-O 3.19Å; V381-G390 PolarHBondContact N-O 3.04Å; V381-G390 PolarHBondContact O-N 3.31Å
391L98.8Very high95.8Very high1 Ų135.3 Ų35.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-125.1137.9179.7-61172.8000110.5S246 I327 Y332 F374 Y379 S380 V389S246-L391 PolarHBondContact N-O 3.36Å; S246-L391 PolarHBondContact O-N 2.94Å; I327-L391 HydrophobicContact CD1-CD1 3.97Å; Y332-L391 HydrophobicContact CE1-CB 3.52Å; Y332-L391 HydrophobicContact CE1-CD1 4.06Å; Y332-L391 HydrophobicContact CE1-CG 4.43Å; Y332-L391 HydrophobicContact CE2-CD1 4.39Å; F374-L391 HydrophobicContact CE1-CD1 4.18Å; F374-L391 HydrophobicContact CE1-CD2 4.05Å; F374-L391 HydrophobicContact CZ-CD1 4.2Å; Y379-L391 WeakPolarHBondContact O-CA 3.49Å; S380-L391 WeakPolarHBondContact OG-CD2 3.35Å; V389-L391 HydrophobicContact CG1-CD2 3.91Å; V389-L391 HydrophobicContact CG1-CG 4.12Å
392A98.1Very high95.6Very high1 Ų137.7 Ų37.71%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-149.5153.8172.200000111F241 L245 F378 Y379 A394F241-A392 HydrophobicContact CB-CB 3.74Å; F241-A392 HydrophobicContact CD2-CB 3.58Å; F241-A392 HydrophobicContact CE2-CB 4.39Å; F241-A392 HydrophobicContact CG-CB 3.81Å; L245-A392 HydrophobicContact CD2-CB 3.97Å; F378-A392 CarbonylContact C-O 3.57Å; F378-A392 WeakPolarHBondContact CA-O 3.3Å; Y379-A392 PolarHBondContact N-O 2.99Å; Y379-A392 PolarHBondContact O-N 2.92Å; Y379-A392 VanDerWaalsContact O-N 3.12Å; A392-A394 PolarHBondContact O-N 3.35Å
393P97.3Very high95.3Very high64 Ų6440.4 Ų40.442%0.41624%0.243SC..EExtended strand (participates in β ladder)trans-58.6120.6174.3-21.232.6000111F241 S242F241-P393 CarbonylContact C-O 3.49Å; F241-P393 VanDerWaalsContact CA-O 3.22Å; F241-P393 WeakPolarHBondContact CA-O 3.29Å; F241-P393 WeakPolarHBondContact CB-O 3.19Å; S242-P393 PolarHBondContact N-O 3.47Å
394A94.8Very high95.1Very high25 Ų2543.5 Ų43.521%0.20726%0.262CS..BIsolated β-bridgetrans-66.5146.4178.600000110.6Y218 H240 Q377 A392Y218-A394 HydrophobicContact CD2-CB 4.44Å; Y218-A394 HydrophobicContact CE2-CB 4.26Å; H240-A394 WeakPolarHBondContact O-CA 3.41Å; Q377-A394 PolarHBondContact O-N 3.41Å; A392-A394 PolarHBondContact O-N 3.35Å
395V89.6Confident94.8Very high44 Ų4444.3 Ų44.327%0.26727%0.273SS..  trans-121.1140.2171.7-62.40000110.9Y218 S239 H240Y218-V395 WeakPolarHBondContact CE2-O 3.38Å; Y218-V395 PolarHBondContact OH-O 3.48Å; S239-V395 WeakPolarHBondContact O-CG2 2.96Å; H240-V395 PolarHBondContact O-N 2.87Å
396P69Low94.6Very high132 Ų13244.5 Ų44.586%0.85726%0.258SS*.  trans-560-178.4-27.535.4000116Y218Y218-P396 VanDerWaalsContact OH-CA 3.26Å; Y218-P396 WeakPolarHBondContact OH-CA 3.3Å; Y218-P396 PolarHBondContact OH-OXT 2.63Å

Retrieved 396 of 396 residues in 605.3 ms (Link to these results)

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