A0A096MF22_POEFO Loading...

Glutamate-rich 3

AlphaFold DB , UniProt , Accession A0A096MF22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 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
1N38.7Very low51.5Low216 Ų216157.5 Ų157.5100%1.15584%0.843SS**  0133.40-69.1-7.7000109.8
2Q42.3Very low54.1Low183 Ų183155 Ų15586%0.85581%0.814SS**  trans35.395.4167.8-73.6171.8-15.300117.4F4Q2-F4 PolarHBondContact O-N 2.94Å
3I43.5Very low56.5Low164 Ų164148.5 Ų148.584%0.84178%0.781SS**  trans-56.1127.8150.9-62.9165.5000107.3S5I3-S5 PolarHBondContact O-N 2.82Å
4F48.1Very low58.7Low203 Ų203141.4 Ų141.489%0.8975%0.749SS**  trans-68.3101.2168.4-97.9-98.8000108.5Q2 G6Q2-F4 PolarHBondContact O-N 2.94Å; F4-G6 PolarHBondContact O-N 2.93Å
5S47.4Very low60.5Low94 Ų94134.5 Ų134.566%0.65771%0.713SS**  trans-63127.9169.147.40000109.1I3 R7I3-S5 PolarHBondContact O-N 2.82Å; S5-R7 VanDerWaalsContact C-N 3.31Å; S5-R7 PolarHBondContact O-N 2.66Å
6G49.9Very low62.1Low72 Ų72132 Ų13274%0.74270%0.704SS**  trans-6685.4-177.200000111.9F4 F8F4-G6 PolarHBondContact O-N 2.93Å; G6-F8 PolarHBondContact O-N 3.41Å
7R50.5Low63.7Low231 Ų231126.4 Ų126.487%0.87268%0.675SS**  trans-63104.9164.7-69.9-175.9178.1-174.6-1.1107.6S5 L9S5-R7 VanDerWaalsContact C-N 3.31Å; S5-R7 PolarHBondContact O-N 2.66Å; R7-L9 PolarHBondContact O-N 3.25Å; R7-L9 VanDerWaalsContact O-N 3.13Å
8F55Low65.1Low201 Ų201127.9 Ų127.988%0.88267%0.674SS**  trans-49.8121.5163.5-80.4-93.9000108.1G6 P10G6-F8 PolarHBondContact O-N 3.41Å; F8-P10 WeakPolarHBondContact O-CD 3.08Å
9L62.1Low66.3Low149 Ų149130.3 Ų130.378%0.7868%0.681SS**  trans-60.3121.4179.5-79.5167.8000108.8R7 A11R7-L9 PolarHBondContact O-N 3.25Å; R7-L9 VanDerWaalsContact O-N 3.13Å; L9-A11 PolarHBondContact O-N 3.46Å
10P59.2Low67.5Low121 Ų121126.6 Ų126.679%0.78666%0.662SS**THydrogen-bonded Turntrans-63.6108-179.1-22.233.7000110.5F8 Y12F8-P10 WeakPolarHBondContact O-CD 3.08Å; P10-Y12 PolarHBondContact O-N 2.81Å; P10-Y12 VanDerWaalsContact O-N 3.13Å
11A69.9Low68.4Low98 Ų98122.9 Ų122.981%0.8165%0.649SS**THydrogen-bonded Turntrans37.258.7168.500000115L9 N13L9-A11 PolarHBondContact O-N 3.46Å; A11-N13 PolarHBondContact O-N 3.33Å; A11-N13 VanDerWaalsContact O-N 3.09Å
12Y83.3Confident70.8Confident128 Ų128119.1 Ų119.150%0.50263%0.629SS.*  trans-54.2118.3172.8165.8-92.6000110P10 S14 D17P10-Y12 PolarHBondContact O-N 2.81Å; P10-Y12 VanDerWaalsContact O-N 3.13Å; Y12-S14 WeakPolarHBondContact CE1-OG 3.36Å; Y12-D17 HydrophobicContact CE2-CB 4.25Å; Y12-D17 WeakPolarHBondContact OH-CB 3.48Å; Y12-D17 PolarHBondContact OH-OD2 3.28Å
13N84.1Confident73.2Confident70 Ų70117.1 Ų117.137%0.37462%0.615SS.*  trans-104.2103-177.6178.22.5000109.8A11 L15 T16A11-N13 PolarHBondContact O-N 3.33Å; A11-N13 VanDerWaalsContact O-N 3.09Å; N13-L15 PolarHBondContact O-N 3.46Å; N13-L15 VanDerWaalsContact O-N 3.14Å; N13-L15 WeakPolarHBondContact OD1-CB 3.39Å; N13-L15 PolarHBondContact OD1-N 3.33Å; N13-L15 VanDerWaalsContact OD1-N 3.09Å; N13-T16 WeakPolarHBondContact CB-OG1 3.44Å; N13-T16 PolarHBondContact O-N 2.99Å; N13-T16 PolarHBondContact O-OG1 2.86Å
14S87.6Confident75.4Confident49 Ų49111.2 Ų111.234%0.34358%0.583SS.*G310 helixtrans-53.4-35179.8-49.20000113.2Y12 T16 D17 F24Y12-S14 WeakPolarHBondContact CE1-OG 3.36Å; S14-T16 PolarHBondContact O-N 3.18Å; S14-T16 VanDerWaalsContact O-N 3.15Å; S14-D17 PolarHBondContact O-N 2.88Å; S14-D17 VanDerWaalsContact O-N 3.08Å; S14-F24 VanDerWaalsContact O-CE2 3.23Å; S14-F24 WeakPolarHBondContact O-CE2 3.28Å
15L86.1Confident77.2Confident39 Ų39105.2 Ų105.220%0.20457%0.566CS.*G310 helixtrans-65.9-16.3-179.9-59179.3000113.1N13 F24 L33 L38 I45N13-L15 PolarHBondContact O-N 3.46Å; N13-L15 VanDerWaalsContact O-N 3.14Å; N13-L15 WeakPolarHBondContact OD1-CB 3.39Å; N13-L15 PolarHBondContact OD1-N 3.33Å; N13-L15 VanDerWaalsContact OD1-N 3.09Å; L15-F24 HydrophobicContact CD2-CD1 4Å; L15-F24 HydrophobicContact CD2-CD2 4.33Å; L15-F24 HydrophobicContact CD2-CE1 3.83Å; L15-F24 HydrophobicContact CD2-CE2 4.19Å; L15-F24 HydrophobicContact CD2-CG 4.26Å; L15-F24 HydrophobicContact CD2-CZ 3.94Å; L15-L33 HydrophobicContact CD2-CD1 3.7Å; L15-L33 HydrophobicContact CD2-CD2 4.12Å; L15-L38 HydrophobicContact CD1-CB 4.19Å; L15-I45 HydrophobicContact CB-CD1 3.9Å; L15-I45 HydrophobicContact CB-CG1 4.29Å; L15-I45 HydrophobicContact CD1-CG2 4.16Å; L15-I45 WeakPolarHBondContact O-CD1 3.3Å
16T85.6Confident79.4Confident94 Ų94104.3 Ų104.358%0.57755%0.554SS**G310 helixtrans-102.2-0.6175.252.70000114.1N13 S14 K18 I45N13-T16 WeakPolarHBondContact CB-OG1 3.44Å; N13-T16 PolarHBondContact O-N 2.99Å; N13-T16 PolarHBondContact O-OG1 2.86Å; S14-T16 PolarHBondContact O-N 3.18Å; S14-T16 VanDerWaalsContact O-N 3.15Å; T16-K18 PolarHBondContact O-N 2.88Å; T16-I45 HydrophobicContact CG2-CD1 3.58Å
17D89.1Confident81.3Confident37 Ų37105 Ų10520%0.19855%0.547CS..  trans-79.4117.7177.1-166.3-10.3000111.5Y12 S14 H19 L20 A21Y12-D17 HydrophobicContact CE2-CB 4.25Å; Y12-D17 WeakPolarHBondContact OH-CB 3.48Å; Y12-D17 PolarHBondContact OH-OD2 3.28Å; S14-D17 PolarHBondContact O-N 2.88Å; S14-D17 VanDerWaalsContact O-N 3.08Å; D17-H19 PolarHBondContact O-N 3.08Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 IonicContact OD1-CD2 3.28Å; D17-H19 PolarHBondContact OD1-CD2 2.75Å; D17-H19 IonicContact OD1-CG 3.21Å; D17-H19 PolarHBondContact OD1-N 3.43Å; D17-L20 HydrophobicContact CB-CB 4.38Å; D17-L20 HydrophobicContact CB-CD1 4.28Å; D17-L20 HydrophobicContact CB-CG 4.22Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-A21 PolarHBondContact O-N 2.8Å
18K88.6Confident83.4Confident153 Ų153103.8 Ų103.867%0.66554%0.543SS*.G310 helixtrans-46.8-35168.248.5163.5179.5162.60113.7T16 L20 A21T16-K18 PolarHBondContact O-N 2.88Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.17Å; K18-A21 WeakPolarHBondContact O-CB 3.21Å; K18-A21 PolarHBondContact O-N 3.5Å
19H89.3Confident85.2Confident173 Ų17395.7 Ų95.780%0.80151%0.509SS*.G310 helixtrans-79.8-11.6-178.8-63-65.7000113.5D17D17-H19 PolarHBondContact O-N 3.08Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 IonicContact OD1-CD2 3.28Å; D17-H19 PolarHBondContact OD1-CD2 2.75Å; D17-H19 IonicContact OD1-CG 3.21Å; D17-H19 PolarHBondContact OD1-N 3.43Å
20L89.3Confident86.6Confident57 Ų5793.5 Ų93.530%0.29849%0.49SS..G310 helixtrans-108.41173.7-58.5178.7000112.4D17 K18 D22 Y23 F24D17-L20 HydrophobicContact CB-CB 4.38Å; D17-L20 HydrophobicContact CB-CD1 4.28Å; D17-L20 HydrophobicContact CB-CG 4.22Å; D17-L20 PolarHBondContact O-N 2.9Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.17Å; L20-D22 VanDerWaalsContact C-N 3.32Å; L20-D22 PolarHBondContact O-N 3.23Å; L20-Y23 WeakPolarHBondContact O-CB 3.39Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; L20-F24 HydrophobicContact CB-CD2 3.79Å; L20-F24 HydrophobicContact CB-CE2 3.49Å; L20-F24 VanDerWaalsContact CB-CE2 3.49Å; L20-F24 HydrophobicContact CD1-CE2 4Å; L20-F24 HydrophobicContact CD1-CZ 4.49Å; L20-F24 HydrophobicContact CG-CE2 4.39Å; L20-F24 WeakPolarHBondContact O-CD2 3.34Å; L20-F24 PolarHBondContact O-N 3.18Å
21A86.6Confident88.3Confident49 Ų4995 Ų9541%0.40548%0.484SS..Hα-helixtrans-56.1-44.8-178.300000112.1D17 K18 Y23 F24 S25D17-A21 PolarHBondContact O-N 2.8Å; K18-A21 WeakPolarHBondContact O-CB 3.21Å; K18-A21 PolarHBondContact O-N 3.5Å; A21-Y23 PolarHBondContact O-N 3.49Å; A21-F24 PolarHBondContact O-N 3.18Å; A21-S25 WeakPolarHBondContact O-CB 3.4Å; A21-S25 PolarHBondContact O-N 2.85Å
22D90.2Very high89.4Confident137 Ų13796 Ų9673%0.73347%0.472SS*.Hα-helixtrans-63.9-40.5178.5-64.4-24.2000112L20 S25 N26L20-D22 VanDerWaalsContact C-N 3.32Å; L20-D22 PolarHBondContact O-N 3.23Å; D22-S25 WeakPolarHBondContact O-CB 3.49Å; D22-S25 PolarHBondContact O-N 2.92Å; D22-S25 PolarHBondContact O-OG 2.97Å; D22-N26 PolarHBondContact O-N 2.87Å
23Y91.8Very high89.9Confident141 Ų14190.6 Ų90.655%0.55345%0.451SS*.Hα-helixtrans-61.9-45.1175.5177.3-96.5000111.5L20 A21 S25 N26 I29L20-Y23 WeakPolarHBondContact O-CB 3.39Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; A21-Y23 PolarHBondContact O-N 3.49Å; Y23-S25 VanDerWaalsContact C-N 3.34Å; Y23-N26 WeakPolarHBondContact O-CB 3.49Å; Y23-N26 PolarHBondContact O-N 2.99Å; Y23-I29 HydrophobicContact CD1-CD1 4.1Å; Y23-I29 HydrophobicContact CD1-CG2 4.5Å; Y23-I29 HydrophobicContact CD2-CD1 3.77Å; Y23-I29 HydrophobicContact CE1-CD1 3.81Å; Y23-I29 HydrophobicContact CE1-CG2 4.21Å; Y23-I29 HydrophobicContact CE2-CD1 3.45Å; Y23-I29 VanDerWaalsContact CE2-CD1 3.45Å; Y23-I29 HydrophobicContact CG-CD1 4.07Å; Y23-I29 VanDerWaalsContact CZ-CD1 3.46Å; Y23-I29 VanDerWaalsContact O-CD1 3.25Å; Y23-I29 WeakPolarHBondContact O-CD1 3.31Å
24F89.4Confident90.2Very high39 Ų3990 Ų9017%0.17145%0.448CS..Hα-helixtrans-76.4-18.3177.4-63.9-55.9000114S14 L15 L20 A21 N26 I29 L33S14-F24 VanDerWaalsContact O-CE2 3.23Å; S14-F24 WeakPolarHBondContact O-CE2 3.28Å; L15-F24 HydrophobicContact CD2-CD1 4Å; L15-F24 HydrophobicContact CD2-CD2 4.33Å; L15-F24 HydrophobicContact CD2-CE1 3.83Å; L15-F24 HydrophobicContact CD2-CE2 4.19Å; L15-F24 HydrophobicContact CD2-CG 4.26Å; L15-F24 HydrophobicContact CD2-CZ 3.94Å; L20-F24 HydrophobicContact CB-CD2 3.79Å; L20-F24 HydrophobicContact CB-CE2 3.49Å; L20-F24 VanDerWaalsContact CB-CE2 3.49Å; L20-F24 HydrophobicContact CD1-CE2 4Å; L20-F24 HydrophobicContact CD1-CZ 4.49Å; L20-F24 HydrophobicContact CG-CE2 4.39Å; L20-F24 WeakPolarHBondContact O-CD2 3.34Å; L20-F24 PolarHBondContact O-N 3.18Å; A21-F24 PolarHBondContact O-N 3.18Å; F24-N26 VanDerWaalsContact C-N 3.28Å; F24-N26 PolarHBondContact O-N 3.13Å; F24-I29 HydrophobicContact CD1-CG2 3.74Å; F24-I29 HydrophobicContact CE1-CG2 4.38Å; F24-L33 HydrophobicContact CD1-CD1 3.57Å; F24-L33 HydrophobicContact CE1-CD1 4.15Å; F24-L33 HydrophobicContact CG-CD1 4.32Å
25S85.9Confident90.4Very high77 Ų7798.2 Ų98.254%0.53847%0.471SS..Hα-helixtrans-67.3-29.2173.584.10000112.8A21 D22 Y23 S27A21-S25 WeakPolarHBondContact O-CB 3.4Å; A21-S25 PolarHBondContact O-N 2.85Å; D22-S25 WeakPolarHBondContact O-CB 3.49Å; D22-S25 PolarHBondContact O-N 2.92Å; D22-S25 PolarHBondContact O-OG 2.97Å; Y23-S25 VanDerWaalsContact C-N 3.34Å; S25-S27 PolarHBondContact O-N 3.38Å
26N93.3Very high90.7Very high76 Ų7698 Ų9841%0.40648%0.475SS..SBendtrans-53.5127.5-177.5-178.6-47.9000111.3D22 Y23 F24 R28 I29 R30D22-N26 PolarHBondContact O-N 2.87Å; Y23-N26 WeakPolarHBondContact O-CB 3.49Å; Y23-N26 PolarHBondContact O-N 2.99Å; F24-N26 VanDerWaalsContact C-N 3.28Å; F24-N26 PolarHBondContact O-N 3.13Å; N26-R28 PolarHBondContact O-N 3.46Å; N26-R28 VanDerWaalsContact O-N 3.13Å; N26-R28 WeakPolarHBondContact OD1-CB 3.24Å; N26-R28 PolarHBondContact OD1-N 3.39Å; N26-I29 HydrophobicContact CB-CB 4.33Å; N26-I29 HydrophobicContact CB-CD1 4.05Å; N26-I29 HydrophobicContact CB-CG1 4.45Å; N26-I29 PolarHBondContact O-N 3.21Å; N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 3.01Å
27S91.1Very high90.9Very high85 Ų8594.9 Ų94.959%0.59446%0.461SS*.Hα-helixtrans-58-31.7-17368.20000114.1S25 K31S25-S27 PolarHBondContact O-N 3.38Å; S27-K31 VanDerWaalsContact O-CB 3.26Å; S27-K31 WeakPolarHBondContact O-CB 3.29Å; S27-K31 WeakPolarHBondContact O-CG 3.45Å; S27-K31 PolarHBondContact O-N 2.99Å
28R94.4Very high91Very high207 Ų20795.7 Ų95.778%0.78147%0.466SS*.Hα-helixtrans-68.8-44.7175.3-179.1179175.5177.3-1.3111.5N26 H32N26-R28 PolarHBondContact O-N 3.46Å; N26-R28 VanDerWaalsContact O-N 3.13Å; N26-R28 WeakPolarHBondContact OD1-CB 3.24Å; N26-R28 PolarHBondContact OD1-N 3.39Å; R28-H32 PolarHBondContact O-N 2.97Å; R28-H32 VanDerWaalsContact O-N 3.08Å
29I93.1Very high91.2Very high31 Ų3189.3 Ų89.316%0.15944%0.438CS..Hα-helixtrans-73.4-42.1-178.4-66.8162.9000110Y23 F24 N26 K31 H32 L33Y23-I29 HydrophobicContact CD1-CD1 4.1Å; Y23-I29 HydrophobicContact CD1-CG2 4.5Å; Y23-I29 HydrophobicContact CD2-CD1 3.77Å; Y23-I29 HydrophobicContact CE1-CD1 3.81Å; Y23-I29 HydrophobicContact CE1-CG2 4.21Å; Y23-I29 HydrophobicContact CE2-CD1 3.45Å; Y23-I29 VanDerWaalsContact CE2-CD1 3.45Å; Y23-I29 HydrophobicContact CG-CD1 4.07Å; Y23-I29 VanDerWaalsContact CZ-CD1 3.46Å; Y23-I29 VanDerWaalsContact O-CD1 3.25Å; Y23-I29 WeakPolarHBondContact O-CD1 3.31Å; F24-I29 HydrophobicContact CD1-CG2 3.74Å; F24-I29 HydrophobicContact CE1-CG2 4.38Å; N26-I29 HydrophobicContact CB-CB 4.33Å; N26-I29 HydrophobicContact CB-CD1 4.05Å; N26-I29 HydrophobicContact CB-CG1 4.45Å; N26-I29 PolarHBondContact O-N 3.21Å; I29-K31 PolarHBondContact O-N 2.86Å; I29-H32 WeakPolarHBondContact O-CB 3.29Å; I29-H32 PolarHBondContact O-N 2.96Å; I29-H32 VanDerWaalsContact O-N 3.11Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.35Å
30R91.4Very high91.2Very high102 Ų10283.4 Ų83.439%0.38542%0.415SS..Hα-helixtrans-60-43.9172.1-171.3171.4174.4170.6-1.5112.1N26 H32 L33 L34N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 3.01Å; R30-H32 VanDerWaalsContact C-N 3.3Å; R30-H32 PolarHBondContact O-N 2.94Å; R30-L33 PolarHBondContact O-N 3.02Å; R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 3.37Å
31K93.8Very high91.2Very high153 Ų15389.7 Ų89.767%0.66543%0.434SS*.Hα-helixtrans-58.5-39.8171.9-81.6176.1178.5-174.60112.3S27 I29 R35S27-K31 VanDerWaalsContact O-CB 3.26Å; S27-K31 WeakPolarHBondContact O-CB 3.29Å; S27-K31 WeakPolarHBondContact O-CG 3.45Å; S27-K31 PolarHBondContact O-N 2.99Å; I29-K31 PolarHBondContact O-N 2.86Å; K31-R35 WeakPolarHBondContact O-CB 3.26Å; K31-R35 PolarHBondContact O-N 3.3Å; K31-R35 VanDerWaalsContact O-N 3.08Å
32H94.3Very high91.3Very high119 Ų11991.3 Ų91.355%0.55144%0.443SS*.Hα-helixtrans-65.5-47.7175.4-179.186.3000112.1R28 I29 R30 L34 R35 A36R28-H32 PolarHBondContact O-N 2.97Å; R28-H32 VanDerWaalsContact O-N 3.08Å; I29-H32 WeakPolarHBondContact O-CB 3.29Å; I29-H32 PolarHBondContact O-N 2.96Å; I29-H32 VanDerWaalsContact O-N 3.11Å; R30-H32 VanDerWaalsContact C-N 3.3Å; R30-H32 PolarHBondContact O-N 2.94Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L34 PolarHBondContact O-N 2.92Å; H32-R35 CarbonylContact O-C 3.56Å; H32-R35 PolarHBondContact O-N 3.4Å; H32-R35 VanDerWaalsContact O-N 3.15Å; H32-A36 WeakPolarHBondContact O-CB 3.45Å; H32-A36 PolarHBondContact O-N 3.02Å
33L92.4Very high91Very high14 Ų1486.3 Ų86.37%0.07342%0.424CS..Hα-helixtrans-66.9-32.1179.9-68.4173.6000113.6L15 F24 I29 R30 G37 L38 I39L15-L33 HydrophobicContact CD2-CD1 3.7Å; L15-L33 HydrophobicContact CD2-CD2 4.12Å; F24-L33 HydrophobicContact CD1-CD1 3.57Å; F24-L33 HydrophobicContact CE1-CD1 4.15Å; F24-L33 HydrophobicContact CG-CD1 4.32Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.35Å; R30-L33 PolarHBondContact O-N 3.02Å; L33-G37 PolarHBondContact O-N 2.89Å; L33-L38 HydrophobicContact CD2-CB 4.39Å; L33-L38 HydrophobicContact CD2-CD1 3.9Å; L33-L38 PolarHBondContact O-N 3.5Å; L33-L38 VanDerWaalsContact O-N 3.13Å; L33-I39 HydrophobicContact CB-CB 4.33Å; L33-I39 HydrophobicContact CB-CD1 4.03Å; L33-I39 HydrophobicContact CB-CG1 4.18Å; L33-I39 HydrophobicContact CD1-CD1 3.73Å; L33-I39 PolarHBondContact O-N 3.06Å
34L91.8Very high90.9Very high58 Ų5888.8 Ų88.830%0.30443%0.432SS..Hα-helixtrans-62.3-49.8168.2-73.4167.7000111R30 H32 A36 G37 I39 T40R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 3.37Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L34 PolarHBondContact O-N 2.92Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.26Å; L34-G37 PolarHBondContact O-N 2.95Å; L34-I39 HydrophobicContact CD2-CG2 4.38Å; L34-T40 WeakPolarHBondContact CD2-O 3.46Å
35R91.6Very high90.9Very high222 Ų22290 Ų9084%0.83844%0.44SS*.Hα-helixtrans-69.4-25.2179.8-163.9170.375.1-177.96.4113.1K31 H32 G37K31-R35 WeakPolarHBondContact O-CB 3.26Å; K31-R35 PolarHBondContact O-N 3.3Å; K31-R35 VanDerWaalsContact O-N 3.08Å; H32-R35 CarbonylContact O-C 3.56Å; H32-R35 PolarHBondContact O-N 3.4Å; H32-R35 VanDerWaalsContact O-N 3.15Å; R35-G37 VanDerWaalsContact C-N 3.3Å
36A90.7Very high91.2Very high33 Ų3387 Ų8727%0.27342%0.419SS..THydrogen-bonded Turntrans-82.3-1.3171.100000113.4H32 L34 L38 Y51H32-A36 WeakPolarHBondContact O-CB 3.45Å; H32-A36 PolarHBondContact O-N 3.02Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.26Å; A36-L38 HydrophobicContact CB-CD1 4.4Å; A36-L38 HydrophobicContact CB-CG 4.29Å; A36-L38 PolarHBondContact O-N 3.19Å; A36-L38 VanDerWaalsContact O-N 3.12Å; A36-Y51 WeakPolarHBondContact O-CE2 3.38Å
37G90.1Very high91.1Very high29 Ų2986.8 Ų86.830%0.29942%0.421SS..THydrogen-bonded Turntrans68.86.4177.400000115.8L33 L34 R35 V46L33-G37 PolarHBondContact O-N 2.89Å; L34-G37 PolarHBondContact O-N 2.95Å; R35-G37 VanDerWaalsContact C-N 3.3Å; G37-V46 WeakPolarHBondContact O-CG2 3.31Å
38L91.2Very high91Very high54 Ų5488.5 Ų88.528%0.28342%0.419SS..SBendtrans-79.5-20.8179.8-62.4177.4000112.6L15 L33 A36 V46 Y51L15-L38 HydrophobicContact CD1-CB 4.19Å; L33-L38 HydrophobicContact CD2-CB 4.39Å; L33-L38 HydrophobicContact CD2-CD1 3.9Å; L33-L38 PolarHBondContact O-N 3.5Å; L33-L38 VanDerWaalsContact O-N 3.13Å; A36-L38 HydrophobicContact CB-CD1 4.4Å; A36-L38 HydrophobicContact CB-CG 4.29Å; A36-L38 PolarHBondContact O-N 3.19Å; A36-L38 VanDerWaalsContact O-N 3.12Å; L38-V46 PolarHBondContact O-N 3.31Å; L38-Y51 HydrophobicContact CD2-CD1 4.02Å; L38-Y51 HydrophobicContact CD2-CD2 4.15Å; L38-Y51 HydrophobicContact CD2-CE1 3.83Å; L38-Y51 HydrophobicContact CD2-CE2 3.99Å; L38-Y51 HydrophobicContact CD2-CG 4.18Å
39I92.8Very high90.9Very high19 Ų1987.6 Ų87.610%0.09742%0.421CS..BIsolated β-bridgetrans-132.5143.3176.7-65.3-175000108.8L33 L34 R44L33-I39 HydrophobicContact CB-CB 4.33Å; L33-I39 HydrophobicContact CB-CD1 4.03Å; L33-I39 HydrophobicContact CB-CG1 4.18Å; L33-I39 HydrophobicContact CD1-CD1 3.73Å; L33-I39 PolarHBondContact O-N 3.06Å; L34-I39 HydrophobicContact CD2-CG2 4.38Å; I39-R44 WeakPolarHBondContact CA-O 3.43Å
40T91Very high90.9Very high49 Ų4990.4 Ų90.430%0.30143%0.434SS..  trans-84.5161.7174.354.80000112.6L34 S42 G43 R44 V46L34-T40 WeakPolarHBondContact CD2-O 3.46Å; T40-S42 PolarHBondContact O-N 3.34Å; T40-S42 PolarHBondContact OG1-OG 2.62Å; T40-G43 PolarHBondContact O-N 2.85Å; T40-R44 PolarHBondContact N-O 2.79Å; T40-R44 PolarHBondContact OG1-N 3.38Å; T40-R44 PolarHBondContact OG1-O 3.45Å; T40-R44 VanDerWaalsContact OG1-O 3.09Å; T40-V46 HydrophobicContact CG2-CG2 3.74Å
41R89.1Confident90.9Very high189 Ų18988.8 Ų88.871%0.71343%0.428SS*.THydrogen-bonded Turntrans-44.9-39.9176.1-68.7172.892.2148.57.8112.5G43 D473R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.33Å; R41-D473 IonicContact NH1-OD1 3.48Å; R41-D473 IonicContact NH1-OD2 3.94Å; R41-D473 IonicContact NH2-OD1 3.78Å
42S87.5Confident90.9Very high83 Ų8388.4 Ų88.458%0.5842%0.423SS*.THydrogen-bonded Turntrans-69.2-8.9177.970.90000116.5T40T40-S42 PolarHBondContact O-N 3.34Å; T40-S42 PolarHBondContact OG1-OG 2.62Å
43G83.9Confident90.9Very high33 Ų3388.4 Ų88.434%0.3442%0.422SS..SBendtrans90.9-0.3-176.900000115.4T40 R41T40-G43 PolarHBondContact O-N 2.85Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.33Å
44R90Very high90.8Very high193 Ų19391.7 Ų91.773%0.72844%0.436SS*.PPolyproline II helixtrans-76.3132.8176.1-59.1178.7-176.5-169.80.6111.1I39 T40I39-R44 WeakPolarHBondContact CA-O 3.43Å; T40-R44 PolarHBondContact N-O 2.79Å; T40-R44 PolarHBondContact OG1-N 3.38Å; T40-R44 PolarHBondContact OG1-O 3.45Å; T40-R44 VanDerWaalsContact OG1-O 3.09Å
45I90.5Very high90.9Very high65 Ų6592.9 Ų92.933%0.33344%0.442SS..BIsolated β-bridgetrans-62.5134.8171.7-54.7168.6000109.1L15 T16L15-I45 HydrophobicContact CB-CD1 3.9Å; L15-I45 HydrophobicContact CB-CG1 4.29Å; L15-I45 HydrophobicContact CD1-CG2 4.16Å; L15-I45 WeakPolarHBondContact O-CD1 3.3Å; T16-I45 HydrophobicContact CG2-CD1 3.58Å
46V91.7Very high91.1Very high14 Ų1487.3 Ų87.39%0.08543%0.428CS..PPolyproline II helixtrans-84.4126.4179.3177.90000109.6G37 L38 T40 E50G37-V46 WeakPolarHBondContact O-CG2 3.31Å; L38-V46 PolarHBondContact O-N 3.31Å; T40-V46 HydrophobicContact CG2-CG2 3.74Å; V46-E50 HydrophobicContact CG1-CB 3.79Å
47P91.6Very high91.3Very high70 Ų7090 Ų9046%0.45544%0.435SS..PPolyproline II helixtrans-59141174.6-24.534.3000111.9K49 E50 Y51P47-K49 PolarHBondContact O-N 3.04Å; P47-K49 VanDerWaalsContact O-N 3.09Å; P47-E50 WeakPolarHBondContact CD-OE1 3.41Å; P47-E50 WeakPolarHBondContact O-CB 3.48Å; P47-E50 PolarHBondContact O-N 3.46Å; P47-Y51 PolarHBondContact O-N 2.98Å
48E88.8Confident91.5Very high121 Ų12191.7 Ų91.757%0.56544%0.44SS*.Hα-helixtrans-55.2-36.2-175.3-166-169.4-179.900113.1E50 Y51 R52E48-E50 PolarHBondContact O-N 3.1Å; E48-Y51 PolarHBondContact O-N 3.22Å; E48-R52 HydrophobicContact CG-CG 4.34Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 VanDerWaalsContact O-CG 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.33Å; E48-R52 PolarHBondContact O-N 2.83Å; E48-R52 IonicContact OE1-CZ 2.77Å; E48-R52 IonicContact OE1-NE 3.66Å; E48-R52 PolarHBondContact OE1-NE 2.99Å; E48-R52 IonicContact OE1-NH2 3.78Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å
49K91.8Very high91.8Very high189 Ų18991.7 Ų91.782%0.82245%0.447SS*.Hα-helixtrans-59.7-44175.6-64.2-176.3179.2-178.50112.4P47 H53P47-K49 PolarHBondContact O-N 3.04Å; P47-K49 VanDerWaalsContact O-N 3.09Å; K49-H53 WeakPolarHBondContact O-CB 3.22Å; K49-H53 PolarHBondContact O-N 2.83Å; K49-H53 VanDerWaalsContact O-N 3.08Å
50E92.1Very high92Very high89 Ų8995.4 Ų95.442%0.41647%0.467SS..Hα-helixtrans-69.4-40.8176.1-70.6-176.2-139.600111.9V46 P47 E48 H53 K54V46-E50 HydrophobicContact CG1-CB 3.79Å; P47-E50 WeakPolarHBondContact CD-OE1 3.41Å; P47-E50 WeakPolarHBondContact O-CB 3.48Å; P47-E50 PolarHBondContact O-N 3.46Å; E48-E50 PolarHBondContact O-N 3.1Å; E50-H53 PolarHBondContact O-N 2.89Å; E50-K54 WeakPolarHBondContact O-CB 3.35Å; E50-K54 WeakPolarHBondContact O-CD 3.2Å; E50-K54 VanDerWaalsContact O-CG 3.31Å; E50-K54 WeakPolarHBondContact O-CG 3.29Å; E50-K54 PolarHBondContact O-N 2.96Å; E50-K54 IonicContact OE2-NZ 3.41Å; E50-K54 PolarHBondContact OE2-NZ 3.45Å
51Y92.3Very high92.2Very high68 Ų6897.7 Ų97.727%0.26748%0.475SS..Hα-helixtrans-62-47.6179.3177-117.7000111.1A36 L38 P47 E48 H53 K54 L55A36-Y51 WeakPolarHBondContact O-CE2 3.38Å; L38-Y51 HydrophobicContact CD2-CD1 4.02Å; L38-Y51 HydrophobicContact CD2-CD2 4.15Å; L38-Y51 HydrophobicContact CD2-CE1 3.83Å; L38-Y51 HydrophobicContact CD2-CE2 3.99Å; L38-Y51 HydrophobicContact CD2-CG 4.18Å; P47-Y51 PolarHBondContact O-N 2.98Å; E48-Y51 PolarHBondContact O-N 3.22Å; Y51-H53 PolarHBondContact O-N 3.01Å; Y51-K54 PolarHBondContact O-N 3.34Å; Y51-L55 HydrophobicContact CD1-CD1 4.05Å; Y51-L55 HydrophobicContact CE1-CD1 3.56Å; Y51-L55 HydrophobicContact CE2-CD1 4.1Å; Y51-L55 HydrophobicContact CE2-CG 4.2Å; Y51-L55 PolarHBondContact O-N 3.25Å
52R93.4Very high92.6Very high146 Ų14693.3 Ų93.355%0.55147%0.465SS*.Hα-helixtrans-59-42.9172.8-71.2173.8178-138.39112E48 L55 I56E48-R52 HydrophobicContact CG-CG 4.34Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 VanDerWaalsContact O-CG 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.33Å; E48-R52 PolarHBondContact O-N 2.83Å; E48-R52 IonicContact OE1-CZ 2.77Å; E48-R52 IonicContact OE1-NE 3.66Å; E48-R52 PolarHBondContact OE1-NE 2.99Å; E48-R52 IonicContact OE1-NH2 3.78Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å; R52-L55 PolarHBondContact O-N 3.44Å; R52-I56 WeakPolarHBondContact O-CG1 3.38Å; R52-I56 PolarHBondContact O-N 2.59Å
53H94.1Very high93.1Very high118 Ų11894.8 Ų94.855%0.54646%0.463SS..Hα-helixtrans-62.8-45.2176.3-175.3-81.1000112.2K49 E50 Y51 L55 I56 Q57K49-H53 WeakPolarHBondContact O-CB 3.22Å; K49-H53 PolarHBondContact O-N 2.83Å; K49-H53 VanDerWaalsContact O-N 3.08Å; E50-H53 PolarHBondContact O-N 2.89Å; Y51-H53 PolarHBondContact O-N 3.01Å; H53-L55 PolarHBondContact O-N 2.97Å; H53-I56 PolarHBondContact O-N 3.35Å; H53-Q57 WeakPolarHBondContact O-CB 3.3Å; H53-Q57 PolarHBondContact O-N 2.95Å
54K91.6Very high93.7Very high84 Ų8497.3 Ų97.337%0.36547%0.472SS..Hα-helixtrans-63.9-38177.7-72.9159.9179.7159.30111.9E50 Y51 T58E50-K54 WeakPolarHBondContact O-CB 3.35Å; E50-K54 WeakPolarHBondContact O-CD 3.2Å; E50-K54 VanDerWaalsContact O-CG 3.31Å; E50-K54 WeakPolarHBondContact O-CG 3.29Å; E50-K54 PolarHBondContact O-N 2.96Å; E50-K54 IonicContact OE2-NZ 3.41Å; E50-K54 PolarHBondContact OE2-NZ 3.45Å; Y51-K54 PolarHBondContact O-N 3.34Å; K54-T58 WeakPolarHBondContact O-CB 3.36Å; K54-T58 WeakPolarHBondContact O-CG2 3.27Å; K54-T58 PolarHBondContact O-N 3.04Å; K54-T58 PolarHBondContact O-OG1 2.9Å
55L93.9Very high94.1Very high82 Ų8294.1 Ų94.143%0.42947%0.465SS..Hα-helixtrans-60.7-48.4171.1-82.8168.9000112.2Y51 R52 H53 T58 A59Y51-L55 HydrophobicContact CD1-CD1 4.05Å; Y51-L55 HydrophobicContact CE1-CD1 3.56Å; Y51-L55 HydrophobicContact CE2-CD1 4.1Å; Y51-L55 HydrophobicContact CE2-CG 4.2Å; Y51-L55 PolarHBondContact O-N 3.25Å; R52-L55 PolarHBondContact O-N 3.44Å; H53-L55 PolarHBondContact O-N 2.97Å; L55-T58 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-OG1 2.86Å; L55-A59 VanDerWaalsContact O-CB 3.25Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 3.07Å
56I95.6Very high94.4Very high105 Ų10596.2 Ų96.254%0.53847%0.473SS..Hα-helixtrans-64.4-44.1178.9-66.5163.9000110.7R52 H53 T58 A59 N60R52-I56 WeakPolarHBondContact O-CG1 3.38Å; R52-I56 PolarHBondContact O-N 2.59Å; H53-I56 PolarHBondContact O-N 3.35Å; I56-T58 PolarHBondContact O-N 2.88Å; I56-A59 PolarHBondContact O-N 3.24Å; I56-N60 WeakPolarHBondContact O-CB 3.22Å; I56-N60 PolarHBondContact O-N 3.37Å; I56-N60 PolarHBondContact O-OD1 3.32Å
57Q95.3Very high94.7Very high91 Ų9198.2 Ų98.243%0.42549%0.487SS..Hα-helixtrans-61.7-44.8178.8-174.3175.81000112.3H53 Q61H53-Q57 WeakPolarHBondContact O-CB 3.3Å; H53-Q57 PolarHBondContact O-N 2.95Å; Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 VanDerWaalsContact O-CG 3.28Å; Q57-Q61 WeakPolarHBondContact O-CG 3.35Å; Q57-Q61 PolarHBondContact O-N 2.78Å
58T94.1Very high95.1Very high64 Ų6499.8 Ų99.839%0.39349%0.491SS..Hα-helixtrans-71.6-37.8177.849.60000112.4K54 L55 I56 N60 Q61 N62K54-T58 WeakPolarHBondContact O-CB 3.36Å; K54-T58 WeakPolarHBondContact O-CG2 3.27Å; K54-T58 PolarHBondContact O-N 3.04Å; K54-T58 PolarHBondContact O-OG1 2.9Å; L55-T58 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-OG1 2.86Å; I56-T58 PolarHBondContact O-N 2.88Å; T58-N60 PolarHBondContact O-N 2.88Å; T58-Q61 PolarHBondContact O-N 2.85Å; T58-N62 WeakPolarHBondContact O-CB 3.39Å; T58-N62 PolarHBondContact O-N 2.78Å; T58-N62 PolarHBondContact O-ND2 3.07Å; T58-N62 PolarHBondContact O-OD1 2.84Å
59A96.1Very high95.5Very high53 Ų5396.5 Ų96.544%0.43849%0.485SS..Hα-helixtrans-60-45.2172.200000111.8L55 I56 N62 H63L55-A59 VanDerWaalsContact O-CB 3.25Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 3.07Å; I56-A59 PolarHBondContact O-N 3.24Å; A59-N62 PolarHBondContact O-N 3.06Å; A59-H63 WeakPolarHBondContact O-CB 3.4Å; A59-H63 PolarHBondContact O-N 2.88Å
60N97.3Very high95.8Very high97 Ų9792.8 Ų92.852%0.51947%0.47SS..Hα-helixtrans-64.1-41.3176.4-69.6-6.3000112I56 T58 H63 V64I56-N60 WeakPolarHBondContact O-CB 3.22Å; I56-N60 PolarHBondContact O-N 3.37Å; I56-N60 PolarHBondContact O-OD1 3.32Å; T58-N60 PolarHBondContact O-N 2.88Å; N60-H63 PolarHBondContact O-N 3.21Å; N60-V64 WeakPolarHBondContact O-CG2 3.45Å; N60-V64 PolarHBondContact O-N 3.46Å
61Q96.6Very high96.1Very high98 Ų9891 Ų9146%0.45847%0.471SS..Hα-helixtrans-62.7-44.9174.9-76.5170.9-20.200111.9Q57 T58 V64 Q65Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 VanDerWaalsContact O-CG 3.28Å; Q57-Q61 WeakPolarHBondContact O-CG 3.35Å; Q57-Q61 PolarHBondContact O-N 2.78Å; T58-Q61 PolarHBondContact O-N 2.85Å; Q61-V64 PolarHBondContact O-N 3.03Å; Q61-Q65 WeakPolarHBondContact O-CG 3.4Å; Q61-Q65 PolarHBondContact O-N 2.88Å
62N96Very high96.4Very high97 Ų9793 Ų9352%0.51949%0.485SS..Hα-helixtrans-62.8-42.6177.1-67.6-13000111.3T58 A59 Q65 E66T58-N62 WeakPolarHBondContact O-CB 3.39Å; T58-N62 PolarHBondContact O-N 2.78Å; T58-N62 PolarHBondContact O-ND2 3.07Å; T58-N62 PolarHBondContact O-OD1 2.84Å; A59-N62 PolarHBondContact O-N 3.06Å; N62-Q65 PolarHBondContact O-N 3.33Å; N62-E66 WeakPolarHBondContact O-CB 3.34Å; N62-E66 PolarHBondContact O-N 3.49Å
63H97.9Very high96.6Very high113 Ų11390.2 Ų90.252%0.52348%0.484SS..Hα-helixtrans-63-44.5176.5-178.851.7000112.1A59 N60 Q65 E66 C67A59-H63 WeakPolarHBondContact O-CB 3.4Å; A59-H63 PolarHBondContact O-N 2.88Å; N60-H63 PolarHBondContact O-N 3.21Å; H63-Q65 PolarHBondContact O-N 2.92Å; H63-E66 PolarHBondContact O-N 3.31Å; H63-C67 VanDerWaalsContact CE1-SG 3.55Å; H63-C67 PolarHBondContact O-N 3.31Å; H63-C67 PolarHBondContact O-SG 2.85Å; H63-C67 VanDerWaalsContact O-SG 3.37Å
64V98Very high96.8Very high87 Ų8790.1 Ų90.153%0.52748%0.483SS..Hα-helixtrans-62.6-41.1174.6170.10000111.5N60 Q61 E66 C67 L68N60-V64 WeakPolarHBondContact O-CG2 3.45Å; N60-V64 PolarHBondContact O-N 3.46Å; Q61-V64 PolarHBondContact O-N 3.03Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-C67 PolarHBondContact O-N 3.24Å; V64-L68 HydrophobicContact CG1-CD1 4.04Å; V64-L68 WeakPolarHBondContact O-CB 3.21Å; V64-L68 VanDerWaalsContact O-CG 3.26Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 2.95Å
65Q97.5Very high97.1Very high126 Ų12691.4 Ų91.459%0.58949%0.489SS*.Hα-helixtrans-62.8-39.7173.9-73.3177.621.200112.1Q61 N62 H63 L68 A69Q61-Q65 WeakPolarHBondContact O-CG 3.4Å; Q61-Q65 PolarHBondContact O-N 2.88Å; N62-Q65 PolarHBondContact O-N 3.33Å; H63-Q65 PolarHBondContact O-N 2.92Å; Q65-L68 PolarHBondContact O-N 2.75Å; Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 2.96Å
66E97.4Very high97.3Very high108 Ų10891.6 Ų91.651%0.50549%0.494SS..Hα-helixtrans-65.9-47.6176.8-166-174.2168.600111.5N62 H63 V64 L68 A69 Q70N62-E66 WeakPolarHBondContact O-CB 3.34Å; N62-E66 PolarHBondContact O-N 3.49Å; H63-E66 PolarHBondContact O-N 3.31Å; V64-E66 VanDerWaalsContact C-N 3.34Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.48Å; E66-A69 WeakPolarHBondContact O-CB 3.47Å; E66-A69 PolarHBondContact O-N 2.81Å; E66-A69 VanDerWaalsContact O-N 3.11Å; E66-Q70 HydrophobicContact CG-CG 4.43Å; E66-Q70 WeakPolarHBondContact O-CB 3.5Å; E66-Q70 WeakPolarHBondContact O-CG 3.18Å; E66-Q70 PolarHBondContact O-N 3.38Å; E66-Q70 PolarHBondContact OE1-NE2 2.88Å
67C98.1Very high97.4Very high57 Ų5791.9 Ų91.939%0.38550%0.495SS..Hα-helixtrans-58.7-40.3175.1-68.70000112.1H63 V64 A71H63-C67 VanDerWaalsContact CE1-SG 3.55Å; H63-C67 PolarHBondContact O-N 3.31Å; H63-C67 PolarHBondContact O-SG 2.85Å; H63-C67 VanDerWaalsContact O-SG 3.37Å; V64-C67 PolarHBondContact O-N 3.24Å; C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.31Å; C67-A71 PolarHBondContact O-N 2.78Å
68L98.3Very high97.6Very high103 Ų10390.2 Ų90.254%0.53949%0.488SS..Hα-helixtrans-64.6-43.1173.7-73.2169.3000111.9V64 Q65 E66 A71 I72V64-L68 HydrophobicContact CG1-CD1 4.04Å; V64-L68 WeakPolarHBondContact O-CB 3.21Å; V64-L68 VanDerWaalsContact O-CG 3.26Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 2.95Å; Q65-L68 PolarHBondContact O-N 2.75Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.48Å; L68-A71 PolarHBondContact O-N 3.36Å; L68-I72 WeakPolarHBondContact O-CB 3.5Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.32Å; L68-I72 PolarHBondContact O-N 3.41Å
69A98.3Very high97.7Very high51 Ų5196.4 Ų96.442%0.42150%0.504SS..Hα-helixtrans-62.9-46.2176.700000111.8Q65 E66 I72 V73Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 2.96Å; E66-A69 WeakPolarHBondContact O-CB 3.47Å; E66-A69 PolarHBondContact O-N 2.81Å; E66-A69 VanDerWaalsContact O-N 3.11Å; A69-I72 PolarHBondContact O-N 2.84Å; A69-V73 WeakPolarHBondContact O-CG2 3.36Å; A69-V73 PolarHBondContact O-N 3.12Å
70Q97.9Very high97.8Very high111 Ų11197.8 Ų97.852%0.51950%0.501SS..Hα-helixtrans-59.7-45.7175.2-68.9177.812.500111.3E66 I72 V73 H74E66-Q70 HydrophobicContact CG-CG 4.43Å; E66-Q70 WeakPolarHBondContact O-CB 3.5Å; E66-Q70 WeakPolarHBondContact O-CG 3.18Å; E66-Q70 PolarHBondContact O-N 3.38Å; E66-Q70 PolarHBondContact OE1-NE2 2.88Å; Q70-I72 PolarHBondContact O-N 2.94Å; Q70-V73 PolarHBondContact O-N 3.46Å; Q70-H74 PolarHBondContact O-N 2.95Å
71A98.3Very high97.8Very high52 Ų5298.4 Ų98.443%0.4350%0.501SS..Hα-helixtrans-62.8-39.817700000112.8C67 L68 H74 K75C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.31Å; C67-A71 PolarHBondContact O-N 2.78Å; L68-A71 PolarHBondContact O-N 3.36Å; A71-H74 PolarHBondContact O-N 2.97Å; A71-K75 WeakPolarHBondContact O-CB 3.38Å; A71-K75 VanDerWaalsContact O-CG 3.3Å; A71-K75 WeakPolarHBondContact O-CG 3.22Å; A71-K75 PolarHBondContact O-N 2.97Å
72I98.1Very high97.8Very high111 Ų111101.2 Ų101.257%0.56951%0.508SS*.Hα-helixtrans-63.1-47.1174.1-71.1163.3000110.5L68 A69 Q70 H74 K75 V76L68-I72 WeakPolarHBondContact O-CB 3.5Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.32Å; L68-I72 PolarHBondContact O-N 3.41Å; A69-I72 PolarHBondContact O-N 2.84Å; Q70-I72 PolarHBondContact O-N 2.94Å; I72-H74 PolarHBondContact O-N 3.12Å; I72-K75 PolarHBondContact O-N 2.88Å; I72-V76 WeakPolarHBondContact O-CG2 3.42Å; I72-V76 PolarHBondContact O-N 2.94Å
73V98.3Very high97.9Very high86 Ų86101.7 Ų101.752%0.52151%0.507SS..Hα-helixtrans-60.1-46.5177.1172.90000111A69 Q70 K75 V76 L77A69-V73 WeakPolarHBondContact O-CG2 3.36Å; A69-V73 PolarHBondContact O-N 3.12Å; Q70-V73 PolarHBondContact O-N 3.46Å; V73-K75 PolarHBondContact O-N 2.96Å; V73-V76 PolarHBondContact O-N 3.06Å; V73-L77 HydrophobicContact CG1-CD1 3.97Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CG 3.43Å; V73-L77 PolarHBondContact O-N 3.24Å
74H98.1Very high97.9Very high116 Ų116100.2 Ų100.254%0.53750%0.5SS..Hα-helixtrans-59.7-45.6177.7-160.7-84.4000111.8Q70 A71 I72 V76 L77 E78Q70-H74 PolarHBondContact O-N 2.95Å; A71-H74 PolarHBondContact O-N 2.97Å; I72-H74 PolarHBondContact O-N 3.12Å; H74-V76 VanDerWaalsContact C-N 3.31Å; H74-V76 PolarHBondContact O-N 3.18Å; H74-L77 PolarHBondContact O-N 3.29Å; H74-E78 IonicContact CE1-OE1 3.77Å; H74-E78 PolarHBondContact CE1-OE1 3.49Å; H74-E78 IonicContact CG-OE1 2.79Å; H74-E78 IonicContact ND1-OE1 3.74Å; H74-E78 PolarHBondContact ND1-OE1 2.93Å; H74-E78 WeakPolarHBondContact O-CG 3.36Å; H74-E78 PolarHBondContact O-N 3.4Å
75K98.4Very high97.9Very high111 Ų11199 Ų9948%0.48349%0.49SS..Hα-helixtrans-67.8-26.3177.5-70.8-74.6169.1-124.30113.6A71 I72 V73 E78 R79A71-K75 WeakPolarHBondContact O-CB 3.38Å; A71-K75 VanDerWaalsContact O-CG 3.3Å; A71-K75 WeakPolarHBondContact O-CG 3.22Å; A71-K75 PolarHBondContact O-N 2.97Å; I72-K75 PolarHBondContact O-N 2.88Å; V73-K75 PolarHBondContact O-N 2.96Å; K75-E78 WeakPolarHBondContact CD-OE2 3.49Å; K75-E78 IonicContact NZ-OE1 2.87Å; K75-E78 PolarHBondContact NZ-OE1 3.47Å; K75-E78 IonicContact NZ-OE2 3.75Å; K75-E78 PolarHBondContact NZ-OE2 2.81Å; K75-R79 WeakPolarHBondContact O-CB 3.49Å; K75-R79 WeakPolarHBondContact O-CD 3.42Å; K75-R79 WeakPolarHBondContact O-CG 3.41Å; K75-R79 PolarHBondContact O-N 3.39Å
76V98.4Very high97.9Very high87 Ų8795.3 Ų95.353%0.52748%0.475SS..Hα-helixtrans-72.8-43.4170.1169.10000111I72 V73 H74 R79 E80I72-V76 WeakPolarHBondContact O-CG2 3.42Å; I72-V76 PolarHBondContact O-N 2.94Å; V73-V76 PolarHBondContact O-N 3.06Å; H74-V76 VanDerWaalsContact C-N 3.31Å; H74-V76 PolarHBondContact O-N 3.18Å; V76-R79 PolarHBondContact O-N 3.07Å; V76-E80 PolarHBondContact O-N 3.34Å
77L98Very high97.9Very high110 Ų11092.7 Ų92.758%0.57647%0.466SS*.Hα-helixtrans-64.1-42.6177.2-68.6172000112.2V73 H74 R79 E80 H81V73-L77 HydrophobicContact CG1-CD1 3.97Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CG 3.43Å; V73-L77 PolarHBondContact O-N 3.24Å; H74-L77 PolarHBondContact O-N 3.29Å; L77-R79 PolarHBondContact O-N 2.97Å; L77-E80 PolarHBondContact O-N 3.1Å; L77-H81 WeakPolarHBondContact O-CB 3.45Å; L77-H81 PolarHBondContact O-N 2.89Å
78E97.8Very high97.8Very high57 Ų5795.7 Ų95.727%0.26647%0.473SS..Hα-helixtrans-54.1-51.1170.7-76.4169.7-134.100111.6H74 K75 E80 H81 Y82H74-E78 IonicContact CE1-OE1 3.77Å; H74-E78 PolarHBondContact CE1-OE1 3.49Å; H74-E78 IonicContact CG-OE1 2.79Å; H74-E78 IonicContact ND1-OE1 3.74Å; H74-E78 PolarHBondContact ND1-OE1 2.93Å; H74-E78 WeakPolarHBondContact O-CG 3.36Å; H74-E78 PolarHBondContact O-N 3.4Å; K75-E78 WeakPolarHBondContact CD-OE2 3.49Å; K75-E78 IonicContact NZ-OE1 2.87Å; K75-E78 PolarHBondContact NZ-OE1 3.47Å; K75-E78 IonicContact NZ-OE2 3.75Å; K75-E78 PolarHBondContact NZ-OE2 2.81Å; E78-E80 PolarHBondContact O-N 2.77Å; E78-H81 PolarHBondContact O-N 3.36Å; E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 3.07Å
79R96.8Very high97.8Very high193 Ų19397.7 Ų97.773%0.72847%0.473SS*.Hα-helixtrans-64.1-39.1-178.1-75.7173.4179-162.81.2112.3K75 V76 L77 H83K75-R79 WeakPolarHBondContact O-CB 3.49Å; K75-R79 WeakPolarHBondContact O-CD 3.42Å; K75-R79 WeakPolarHBondContact O-CG 3.41Å; K75-R79 PolarHBondContact O-N 3.39Å; V76-R79 PolarHBondContact O-N 3.07Å; L77-R79 PolarHBondContact O-N 2.97Å; R79-H83 WeakPolarHBondContact O-CB 3.43Å; R79-H83 PolarHBondContact O-N 3.29Å
80E97.4Very high97.8Very high83 Ų83100.9 Ų100.939%0.38848%0.477SS..Hα-helixtrans-68.4-40175.2176.753.2-155.100111.6V76 L77 E78 Y82 H83 Q84V76-E80 PolarHBondContact O-N 3.34Å; L77-E80 PolarHBondContact O-N 3.1Å; E78-E80 PolarHBondContact O-N 2.77Å; E80-Y82 PolarHBondContact O-N 2.63Å; E80-H83 WeakPolarHBondContact O-CB 3.49Å; E80-H83 PolarHBondContact O-N 2.58Å; E80-H83 VanDerWaalsContact O-N 3.16Å; E80-H83 IonicContact OE2-CD2 2.59Å; E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E80-Q84 VanDerWaalsContact OE1-CG 3.3Å; E80-Q84 WeakPolarHBondContact OE1-CG 3.35Å; E80-Q84 PolarHBondContact OE1-NE2 3.34Å
81H97.9Very high97.7Very high109 Ų109100.9 Ų100.951%0.50548%0.477SS..Hα-helixtrans-59.7-47.6173.9179.7-124.4000111.9L77 E78 H83 Q84 I85L77-H81 WeakPolarHBondContact O-CB 3.45Å; L77-H81 PolarHBondContact O-N 2.89Å; E78-H81 PolarHBondContact O-N 3.36Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 2.82Å; H81-Q84 PolarHBondContact O-N 2.5Å; H81-I85 WeakPolarHBondContact O-CG1 3.22Å; H81-I85 PolarHBondContact O-N 3.43Å
82Y98Very high97.6Very high157 Ų157103 Ų10362%0.61649%0.485SS*.Hα-helixtrans-62-39.6173-74.6-62.5000112.3E78 E80 Q84 I85 D86E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 3.07Å; E80-Y82 PolarHBondContact O-N 2.63Å; Y82-Q84 VanDerWaalsContact C-N 3.35Å; Y82-Q84 PolarHBondContact O-N 3.41Å; Y82-I85 PolarHBondContact O-N 3.04Å; Y82-D86 WeakPolarHBondContact O-CB 3.38Å; Y82-D86 PolarHBondContact O-N 3.35Å
83H97.3Very high97.6Very high107 Ų107101.7 Ų101.750%0.49548%0.476SS..Hα-helixtrans-59.4-44.4175.6-173.469.4000111.7R79 E80 H81 D86 V87R79-H83 WeakPolarHBondContact O-CB 3.43Å; R79-H83 PolarHBondContact O-N 3.29Å; E80-H83 WeakPolarHBondContact O-CB 3.49Å; E80-H83 PolarHBondContact O-N 2.58Å; E80-H83 VanDerWaalsContact O-N 3.16Å; E80-H83 IonicContact OE2-CD2 2.59Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 2.82Å; H83-D86 PolarHBondContact O-N 3.23Å; H83-V87 WeakPolarHBondContact O-CB 3.25Å; H83-V87 WeakPolarHBondContact O-CG2 3.13Å; H83-V87 PolarHBondContact O-N 3.07Å
84Q96.9Very high97.5Very high82 Ų82104 Ų10438%0.38348%0.48SS..Hα-helixtrans-64.9-40177.2-69.4178.523.900112.9E80 H81 Y82 D86 V87 K88E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E80-Q84 VanDerWaalsContact OE1-CG 3.3Å; E80-Q84 WeakPolarHBondContact OE1-CG 3.35Å; E80-Q84 PolarHBondContact OE1-NE2 3.34Å; H81-Q84 PolarHBondContact O-N 2.5Å; Y82-Q84 VanDerWaalsContact C-N 3.35Å; Y82-Q84 PolarHBondContact O-N 3.41Å; Q84-D86 VanDerWaalsContact C-N 3.3Å; Q84-D86 PolarHBondContact O-N 2.83Å; Q84-V87 PolarHBondContact O-N 2.79Å; Q84-K88 WeakPolarHBondContact O-CB 3.41Å; Q84-K88 WeakPolarHBondContact O-CD 3.23Å; Q84-K88 VanDerWaalsContact O-CG 3.23Å; Q84-K88 WeakPolarHBondContact O-CG 3.17Å; Q84-K88 PolarHBondContact O-N 3.45Å
85I97.9Very high97.4Very high62 Ų62103.8 Ų103.832%0.31848%0.479SS..Hα-helixtrans-59.1-45.3172.4-70.2167.9000110.1H81 Y82 K88 R89H81-I85 WeakPolarHBondContact O-CG1 3.22Å; H81-I85 PolarHBondContact O-N 3.43Å; Y82-I85 PolarHBondContact O-N 3.04Å; I85-K88 PolarHBondContact O-N 2.89Å; I85-R89 WeakPolarHBondContact O-CB 3.24Å; I85-R89 PolarHBondContact O-N 2.89Å
86D97.6Very high97.4Very high49 Ų49105.8 Ų105.826%0.26249%0.487SS..Hα-helixtrans-72.7-32.4-175.8-144.946.3000112.2Y82 H83 Q84 R89 K90Y82-D86 WeakPolarHBondContact O-CB 3.38Å; Y82-D86 PolarHBondContact O-N 3.35Å; H83-D86 PolarHBondContact O-N 3.23Å; Q84-D86 VanDerWaalsContact C-N 3.3Å; Q84-D86 PolarHBondContact O-N 2.83Å; D86-R89 IonicContact OD1-CZ 3.74Å; D86-R89 IonicContact OD1-NE 3.4Å; D86-R89 IonicContact OD1-NH1 2.73Å; D86-R89 PolarHBondContact OD1-NH1 3.4Å; D86-K90 WeakPolarHBondContact O-CB 3.46Å; D86-K90 VanDerWaalsContact O-CD 3.28Å; D86-K90 WeakPolarHBondContact O-CD 3.23Å; D86-K90 WeakPolarHBondContact O-CG 3.35Å; D86-K90 PolarHBondContact O-N 3.29Å; D86-K90 VanDerWaalsContact OD2-CE 3.3Å; D86-K90 WeakPolarHBondContact OD2-CE 3.45Å; D86-K90 IonicContact OD2-NZ 2.62Å; D86-K90 PolarHBondContact OD2-NZ 2.9Å
87V97.4Very high97.3Very high52 Ų52107.6 Ų107.632%0.31549%0.488SS..Hα-helixtrans-64.9-46.6168.6167.90000111.2H83 Q84 R89 K90 Q91H83-V87 WeakPolarHBondContact O-CB 3.25Å; H83-V87 WeakPolarHBondContact O-CG2 3.13Å; H83-V87 PolarHBondContact O-N 3.07Å; Q84-V87 PolarHBondContact O-N 2.79Å; V87-R89 VanDerWaalsContact C-N 3.35Å; V87-R89 PolarHBondContact O-N 3.29Å; V87-K90 PolarHBondContact O-N 3.38Å; V87-Q91 WeakPolarHBondContact O-CG 3.19Å; V87-Q91 PolarHBondContact O-N 2.95Å
88K97.5Very high97.1Very high121 Ų121105.8 Ų105.853%0.52648%0.477SS..Hα-helixtrans-59.3-44.3175.1-72.1164.7-175.9170.70111.2Q84 I85 K90 Q91 V92Q84-K88 WeakPolarHBondContact O-CB 3.41Å; Q84-K88 WeakPolarHBondContact O-CD 3.23Å; Q84-K88 VanDerWaalsContact O-CG 3.23Å; Q84-K88 WeakPolarHBondContact O-CG 3.17Å; Q84-K88 PolarHBondContact O-N 3.45Å; I85-K88 PolarHBondContact O-N 2.89Å; K88-K90 PolarHBondContact O-N 3.45Å; K88-Q91 WeakPolarHBondContact O-CB 3.39Å; K88-Q91 PolarHBondContact O-N 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.2Å; K88-V92 PolarHBondContact O-N 2.98Å
89R97.9Very high96.9Very high145 Ų145110.5 Ų110.555%0.54749%0.492SS..Hα-helixtrans-56.9-48.3174.3-176-173.4-67.9162-10.6111.6I85 D86 V87 Q91 V92 E93I85-R89 WeakPolarHBondContact O-CB 3.24Å; I85-R89 PolarHBondContact O-N 2.89Å; D86-R89 IonicContact OD1-CZ 3.74Å; D86-R89 IonicContact OD1-NE 3.4Å; D86-R89 IonicContact OD1-NH1 2.73Å; D86-R89 PolarHBondContact OD1-NH1 3.4Å; V87-R89 VanDerWaalsContact C-N 3.35Å; V87-R89 PolarHBondContact O-N 3.29Å; R89-Q91 VanDerWaalsContact C-N 3.34Å; R89-Q91 PolarHBondContact O-N 3.16Å; R89-V92 PolarHBondContact O-N 3.46Å; R89-E93 PolarHBondContact O-N 3.06Å
90K97.6Very high96.9Very high117 Ų117104.9 Ų104.951%0.50948%0.479SS..Hα-helixtrans-65.5-32.9178.5-72.9160.2-176160.50112.9D86 V87 K88 F94D86-K90 WeakPolarHBondContact O-CB 3.46Å; D86-K90 VanDerWaalsContact O-CD 3.28Å; D86-K90 WeakPolarHBondContact O-CD 3.23Å; D86-K90 WeakPolarHBondContact O-CG 3.35Å; D86-K90 PolarHBondContact O-N 3.29Å; D86-K90 VanDerWaalsContact OD2-CE 3.3Å; D86-K90 WeakPolarHBondContact OD2-CE 3.45Å; D86-K90 IonicContact OD2-NZ 2.62Å; D86-K90 PolarHBondContact OD2-NZ 2.9Å; V87-K90 PolarHBondContact O-N 3.38Å; K88-K90 PolarHBondContact O-N 3.45Å; K90-F94 WeakPolarHBondContact O-CB 3.39Å; K90-F94 PolarHBondContact O-N 3.08Å
91Q96.1Very high96.7Very high112 Ų112106.9 Ų106.952%0.52349%0.489SS..Hα-helixtrans-65.3-51172.1-72.3170.92.100111.6V87 K88 R89 E93 F94 E95V87-Q91 WeakPolarHBondContact O-CG 3.19Å; V87-Q91 PolarHBondContact O-N 2.95Å; K88-Q91 WeakPolarHBondContact O-CB 3.39Å; K88-Q91 PolarHBondContact O-N 3.26Å; R89-Q91 VanDerWaalsContact C-N 3.34Å; R89-Q91 PolarHBondContact O-N 3.16Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; Q91-E93 PolarHBondContact O-N 3.35Å; Q91-F94 WeakPolarHBondContact O-CB 3.45Å; Q91-F94 PolarHBondContact O-N 2.89Å; Q91-E95 PolarHBondContact O-N 3.49Å
92V97.2Very high96.5Very high97 Ų97108.8 Ų108.859%0.58849%0.491SS*.Hα-helixtrans-60.1-39.4177.4173.70000111.6K88 R89 K96K88-V92 WeakPolarHBondContact O-CG2 3.2Å; K88-V92 PolarHBondContact O-N 2.98Å; R89-V92 PolarHBondContact O-N 3.46Å; V92-K96 WeakPolarHBondContact O-CB 3.49Å; V92-K96 PolarHBondContact O-N 2.79Å
93E97Very high96.4Very high82 Ų82107.5 Ų107.538%0.38349%0.489SS..Hα-helixtrans-61-44.3170.7-85.4-168.2-132.400113.1R89 Q91 K96 K97R89-E93 PolarHBondContact O-N 3.06Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; Q91-E93 PolarHBondContact O-N 3.35Å; E93-K96 PolarHBondContact O-N 3.21Å; E93-K97 WeakPolarHBondContact O-CB 3.24Å; E93-K97 WeakPolarHBondContact O-CD 3.34Å; E93-K97 VanDerWaalsContact O-CG 3.22Å; E93-K97 WeakPolarHBondContact O-CG 3.29Å; E93-K97 PolarHBondContact O-N 3.22Å; E93-K97 IonicContact OE2-NZ 3.22Å; E93-K97 PolarHBondContact OE2-NZ 2.84Å
94F96.2Very high96.2Very high136 Ų136109.1 Ų109.160%0.59650%0.495SS*.Hα-helixtrans-65.1-41.7179.5-174.3-94.7000111.4K90 Q91 K97 Q98K90-F94 WeakPolarHBondContact O-CB 3.39Å; K90-F94 PolarHBondContact O-N 3.08Å; Q91-F94 WeakPolarHBondContact O-CB 3.45Å; Q91-F94 PolarHBondContact O-N 2.89Å; F94-K97 PolarHBondContact O-N 2.86Å; F94-Q98 WeakPolarHBondContact O-CB 3.35Å; F94-Q98 PolarHBondContact O-N 2.83Å
95E96.6Very high96.1Very high111 Ų111108.8 Ų108.852%0.51950%0.498SS..Hα-helixtrans-61.6-43.2172.8-70.7-175.1-175.200112.3Q91 Q98 R99Q91-E95 PolarHBondContact O-N 3.49Å; E95-Q98 PolarHBondContact O-N 3.19Å; E95-R99 VanDerWaalsContact O-CB 3.27Å; E95-R99 WeakPolarHBondContact O-CB 3.27Å; E95-R99 PolarHBondContact O-N 3.47Å
96K97.3Very high95.8Very high153 Ų153110 Ų11067%0.66550%0.502SS*.Hα-helixtrans-61.4-44.8175-173.7176.3-179.4178.60111.2V92 E93 R99 V100V92-K96 WeakPolarHBondContact O-CB 3.49Å; V92-K96 PolarHBondContact O-N 2.79Å; E93-K96 PolarHBondContact O-N 3.21Å; K96-R99 PolarHBondContact O-N 3Å; K96-V100 WeakPolarHBondContact O-CG2 3.45Å; K96-V100 PolarHBondContact O-N 2.83Å
97K96.1Very high95.4Very high125 Ų125115.3 Ų115.354%0.54352%0.519SS..Hα-helixtrans-62.6-45.6175.6-73.9159.9177.3163.80111.3E93 F94 V100 Q101E93-K97 WeakPolarHBondContact O-CB 3.24Å; E93-K97 WeakPolarHBondContact O-CD 3.34Å; E93-K97 VanDerWaalsContact O-CG 3.22Å; E93-K97 WeakPolarHBondContact O-CG 3.29Å; E93-K97 PolarHBondContact O-N 3.22Å; E93-K97 IonicContact OE2-NZ 3.22Å; E93-K97 PolarHBondContact OE2-NZ 2.84Å; F94-K97 PolarHBondContact O-N 2.86Å; K97-V100 PolarHBondContact O-N 2.92Å; K97-Q101 PolarHBondContact O-N 3.04Å
98Q95.4Very high94.9Very high72 Ų72116.8 Ų116.834%0.33653%0.53SS..Hα-helixtrans-65.8-40.7177.8-162.8-165.267.300111.8F94 E95 Q101 R102F94-Q98 WeakPolarHBondContact O-CB 3.35Å; F94-Q98 PolarHBondContact O-N 2.83Å; E95-Q98 PolarHBondContact O-N 3.19Å; Q98-Q101 WeakPolarHBondContact O-CB 3.42Å; Q98-Q101 PolarHBondContact O-N 2.84Å; Q98-R102 WeakPolarHBondContact O-CG 3.21Å; Q98-R102 PolarHBondContact O-N 3.31Å
99R93.7Very high94.6Very high155 Ų155116.6 Ų116.659%0.58553%0.529SS*.Hα-helixtrans-61.4-44.3175.2-169.6-178.3-59.5177.23.7111.5E95 K96 Q101 R102 F103E95-R99 VanDerWaalsContact O-CB 3.27Å; E95-R99 WeakPolarHBondContact O-CB 3.27Å; E95-R99 PolarHBondContact O-N 3.47Å; K96-R99 PolarHBondContact O-N 3Å; R99-Q101 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 2.88Å; R99-R102 PolarHBondContact O-N 2.86Å; R99-F103 HydrophobicContact CG-CD2 4.07Å; R99-F103 HydrophobicContact CG-CE2 3.79Å; R99-F103 VanDerWaalsContact O-CD2 3.29Å; R99-F103 WeakPolarHBondContact O-CD2 3.3Å; R99-F103 PolarHBondContact O-N 2.97Å
100V96.1Very high94.2Very high75 Ų75115.4 Ų115.446%0.45553%0.528SS..Hα-helixtrans-63.3-38.7173.41700000111.5K96 K97 K104K96-V100 WeakPolarHBondContact O-CG2 3.45Å; K96-V100 PolarHBondContact O-N 2.83Å; K97-V100 PolarHBondContact O-N 2.92Å; V100-K104 HydrophobicContact CG1-CD 4.31Å; V100-K104 WeakPolarHBondContact O-CB 3.38Å; V100-K104 WeakPolarHBondContact O-CG 3.14Å; V100-K104 PolarHBondContact O-N 3.15Å
101Q94.1Very high93.6Very high126 Ų126115.7 Ų115.759%0.58953%0.527SS*.Hα-helixtrans-64.3-44.8176-169.418010.700112.1K97 Q98 R99 K104 V105K97-Q101 PolarHBondContact O-N 3.04Å; Q98-Q101 WeakPolarHBondContact O-CB 3.42Å; Q98-Q101 PolarHBondContact O-N 2.84Å; R99-Q101 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 2.88Å; Q101-K104 PolarHBondContact O-N 3.36Å; Q101-V105 WeakPolarHBondContact O-CG2 3.46Å; Q101-V105 PolarHBondContact O-N 2.84Å
102R93.7Very high93.1Very high149 Ų149115.7 Ų115.756%0.56253%0.527SS*.Hα-helixtrans-57.6-51.6174.3-67.3-178.2-161-160.58111.1Q98 R99 K104 V105 E106Q98-R102 WeakPolarHBondContact O-CG 3.21Å; Q98-R102 PolarHBondContact O-N 3.31Å; R99-R102 PolarHBondContact O-N 2.86Å; R102-K104 VanDerWaalsContact C-N 3.31Å; R102-K104 PolarHBondContact O-N 2.94Å; R102-V105 PolarHBondContact O-N 3.12Å; R102-V105 VanDerWaalsContact O-N 3.13Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 2.78Å
103F94.1Very high92.5Very high130 Ų130115.4 Ų115.457%0.5752%0.519SS*.Hα-helixtrans-60.6-35.1177.2-77.9-52.7000113.7R99 R107R99-F103 HydrophobicContact CG-CD2 4.07Å; R99-F103 HydrophobicContact CG-CE2 3.79Å; R99-F103 VanDerWaalsContact O-CD2 3.29Å; R99-F103 WeakPolarHBondContact O-CD2 3.3Å; R99-F103 PolarHBondContact O-N 2.97Å; F103-R107 VanDerWaalsContact O-CB 3.31Å; F103-R107 WeakPolarHBondContact O-CB 3.48Å; F103-R107 PolarHBondContact O-N 2.84Å
104K94.9Very high91.9Very high141 Ų141116.6 Ų116.661%0.61353%0.525SS*.Hα-helixtrans-64.6-46.3173.2-78.8-179.1176.5-172.80111.7V100 Q101 R102 R107 C108V100-K104 HydrophobicContact CG1-CD 4.31Å; V100-K104 WeakPolarHBondContact O-CB 3.38Å; V100-K104 WeakPolarHBondContact O-CG 3.14Å; V100-K104 PolarHBondContact O-N 3.15Å; Q101-K104 PolarHBondContact O-N 3.36Å; R102-K104 VanDerWaalsContact C-N 3.31Å; R102-K104 PolarHBondContact O-N 2.94Å; K104-R107 PolarHBondContact O-N 3.03Å; K104-C108 PolarHBondContact O-N 3.23Å; K104-C108 PolarHBondContact O-SG 3.22Å
105V93.6Very high91.2Very high74 Ų74115.3 Ų115.345%0.44852%0.522SS..Hα-helixtrans-65.5-44.5178.2174.50000111.1Q101 R102 R107 C108 K109Q101-V105 WeakPolarHBondContact O-CG2 3.46Å; Q101-V105 PolarHBondContact O-N 2.84Å; R102-V105 PolarHBondContact O-N 3.12Å; R102-V105 VanDerWaalsContact O-N 3.13Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 2.81Å; V105-C108 PolarHBondContact O-N 3.34Å; V105-K109 HydrophobicContact CG1-CD 4.36Å; V105-K109 HydrophobicContact CG1-CG 4.46Å; V105-K109 WeakPolarHBondContact O-CG 3.49Å; V105-K109 PolarHBondContact O-N 3.46Å
106E91.1Very high90.5Very high89 Ų89114.3 Ų114.342%0.41652%0.519SS..Hα-helixtrans-59.7-39.1174.9-73.6171-147.800112.4R102 K110R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 2.78Å; E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 3.31Å
107R90.2Very high89.7Confident159 Ų159114.3 Ų114.360%0.652%0.515SS*.Hα-helixtrans-67.1-40.5175.7-171.1177.8-176.1106.67.1112F103 K104 V105 K110 Y111F103-R107 VanDerWaalsContact O-CB 3.31Å; F103-R107 WeakPolarHBondContact O-CB 3.48Å; F103-R107 PolarHBondContact O-N 2.84Å; K104-R107 PolarHBondContact O-N 3.03Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 2.81Å; R107-K110 PolarHBondContact O-N 2.8Å; R107-Y111 HydrophobicContact CG-CD2 4.14Å; R107-Y111 HydrophobicContact CG-CE2 3.81Å; R107-Y111 PolarHBondContact NH2-OH 3.37Å; R107-Y111 VanDerWaalsContact O-CD2 3.26Å; R107-Y111 WeakPolarHBondContact O-CD2 3.23Å; R107-Y111 PolarHBondContact O-N 3.48Å
108C87.6Confident88.9Confident83 Ų83112.5 Ų112.556%0.56152%0.524SS*.Hα-helixtrans-64.1-47.1175.3-63.20000111.1K104 V105 K110 Y111 E112K104-C108 PolarHBondContact O-N 3.23Å; K104-C108 PolarHBondContact O-SG 3.22Å; V105-C108 PolarHBondContact O-N 3.34Å; C108-K110 VanDerWaalsContact C-N 3.33Å; C108-K110 PolarHBondContact O-N 3.41Å; C108-Y111 PolarHBondContact O-N 2.97Å; C108-E112 WeakPolarHBondContact O-CB 3.11Å; C108-E112 PolarHBondContact O-N 3.44Å
109K90.7Very high88Confident117 Ų117115.2 Ų115.251%0.50954%0.54SS..Hα-helixtrans-57.8-41.8175.6-74.3-173.4173.8-1660112.6V105 Y111 E112 E113V105-K109 HydrophobicContact CG1-CD 4.36Å; V105-K109 HydrophobicContact CG1-CG 4.46Å; V105-K109 WeakPolarHBondContact O-CG 3.49Å; V105-K109 PolarHBondContact O-N 3.46Å; K109-Y111 PolarHBondContact O-N 3.18Å; K109-E112 WeakPolarHBondContact O-CB 3.46Å; K109-E112 PolarHBondContact O-N 2.93Å; K109-E113 WeakPolarHBondContact O-CB 3.38Å; K109-E113 VanDerWaalsContact O-CG 3.28Å; K109-E113 WeakPolarHBondContact O-CG 3.32Å; K109-E113 PolarHBondContact O-N 3.47Å
110K88.9Confident87.1Confident120 Ų120111.4 Ų111.452%0.52253%0.534SS..Hα-helixtrans-62.2-43.1176-76.9174.3-179.5174.50112.5E106 R107 C108 E112 E113 E114E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 3.31Å; R107-K110 PolarHBondContact O-N 2.8Å; C108-K110 VanDerWaalsContact C-N 3.33Å; C108-K110 PolarHBondContact O-N 3.41Å; K110-E112 VanDerWaalsContact C-N 3.34Å; K110-E112 PolarHBondContact O-N 3.27Å; K110-E113 PolarHBondContact O-N 3.19Å; K110-E114 VanDerWaalsContact O-CB 3.29Å; K110-E114 WeakPolarHBondContact O-CB 3.1Å; K110-E114 VanDerWaalsContact O-CG 3.24Å; K110-E114 WeakPolarHBondContact O-CG 3.04Å; K110-E114 PolarHBondContact O-N 2.93Å
111Y84.4Confident85.6Confident124 Ų124113.6 Ų113.649%0.48655%0.549SS..Hα-helixtrans-64.9-37.1173.8-75.3-54000113R107 C108 K109 E114 M115R107-Y111 HydrophobicContact CG-CD2 4.14Å; R107-Y111 HydrophobicContact CG-CE2 3.81Å; R107-Y111 PolarHBondContact NH2-OH 3.37Å; R107-Y111 VanDerWaalsContact O-CD2 3.26Å; R107-Y111 WeakPolarHBondContact O-CD2 3.23Å; R107-Y111 PolarHBondContact O-N 3.48Å; C108-Y111 PolarHBondContact O-N 2.97Å; K109-Y111 PolarHBondContact O-N 3.18Å; Y111-E114 PolarHBondContact O-N 2.93Å; Y111-M115 VanDerWaalsContact O-CB 3.28Å; Y111-M115 WeakPolarHBondContact O-CB 2.98Å; Y111-M115 PolarHBondContact O-N 3.4Å
112E86.4Confident84Confident111 Ų111112.6 Ų112.652%0.51956%0.555SS.*Hα-helixtrans-65.8-46.2175.2-172.2174.4-161.900111.4C108 K109 K110 E114 M115 I116C108-E112 WeakPolarHBondContact O-CB 3.11Å; C108-E112 PolarHBondContact O-N 3.44Å; K109-E112 WeakPolarHBondContact O-CB 3.46Å; K109-E112 PolarHBondContact O-N 2.93Å; K110-E112 VanDerWaalsContact C-N 3.34Å; K110-E112 PolarHBondContact O-N 3.27Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 2.95Å; E112-M115 PolarHBondContact O-N 3.49Å; E112-I116 HydrophobicContact CG-CD1 4.07Å; E112-I116 WeakPolarHBondContact O-CB 3.38Å; E112-I116 WeakPolarHBondContact O-CD1 3.36Å; E112-I116 WeakPolarHBondContact O-CG1 3.35Å; E112-I116 PolarHBondContact O-N 3.33Å
113E84.1Confident82.2Confident91 Ų91110.4 Ų110.443%0.42556%0.56SS.*Hα-helixtrans-65.7-31.8174.1-69.2170.5-153.400113.5K109 K110 R117K109-E113 WeakPolarHBondContact O-CB 3.38Å; K109-E113 VanDerWaalsContact O-CG 3.28Å; K109-E113 WeakPolarHBondContact O-CG 3.32Å; K109-E113 PolarHBondContact O-N 3.47Å; K110-E113 PolarHBondContact O-N 3.19Å; E113-R117 VanDerWaalsContact O-CB 3.29Å; E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 VanDerWaalsContact O-CG 3.31Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.87Å; E113-R117 PolarHBondContact O-NE 3.28Å; E113-R117 IonicContact OE2-NH2 2.96Å; E113-R117 PolarHBondContact OE2-NH2 2.96Å
114E84.4Confident80Confident108 Ų108109.7 Ų109.751%0.50557%0.569SS.*Hα-helixtrans-72.4-41.6173.7-78.7170.7-170.800110.9K110 Y111 E112 R117 A118K110-E114 VanDerWaalsContact O-CB 3.29Å; K110-E114 WeakPolarHBondContact O-CB 3.1Å; K110-E114 VanDerWaalsContact O-CG 3.24Å; K110-E114 WeakPolarHBondContact O-CG 3.04Å; K110-E114 PolarHBondContact O-N 2.93Å; Y111-E114 PolarHBondContact O-N 2.93Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 2.95Å; E114-R117 PolarHBondContact O-N 3.38Å; E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.73Å
115M82.1Confident77.8Confident109 Ų109109.7 Ų109.754%0.53758%0.581SS.*Hα-helixtrans-64-45.3173-175.4179.470.900111.4Y111 E112 R117 A118 L119Y111-M115 VanDerWaalsContact O-CB 3.28Å; Y111-M115 WeakPolarHBondContact O-CB 2.98Å; Y111-M115 PolarHBondContact O-N 3.4Å; E112-M115 PolarHBondContact O-N 3.49Å; M115-R117 VanDerWaalsContact C-N 3.34Å; M115-R117 PolarHBondContact O-N 3.25Å; M115-A118 PolarHBondContact O-N 2.73Å; M115-L119 HydrophobicContact CG-CD1 3.87Å; M115-L119 HydrophobicContact CG-CG 4.47Å; M115-L119 WeakPolarHBondContact O-CB 3.49Å; M115-L119 VanDerWaalsContact O-CG 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.41Å; M115-L119 PolarHBondContact O-N 2.92Å
116I82.6Confident75.2Confident90 Ų90111.1 Ų111.146%0.46259%0.59SS.*Hα-helixtrans-59.6-44.8173.8-70.4163.7000110E112 A118 L119 T120E112-I116 HydrophobicContact CG-CD1 4.07Å; E112-I116 WeakPolarHBondContact O-CB 3.38Å; E112-I116 WeakPolarHBondContact O-CD1 3.36Å; E112-I116 WeakPolarHBondContact O-CG1 3.35Å; E112-I116 PolarHBondContact O-N 3.33Å; I116-A118 VanDerWaalsContact C-N 3.32Å; I116-A118 PolarHBondContact O-N 2.66Å; I116-L119 PolarHBondContact O-N 2.88Å; I116-T120 WeakPolarHBondContact O-CB 3.35Å; I116-T120 PolarHBondContact O-N 3.33Å; I116-T120 PolarHBondContact O-OG1 2.78Å
117R80.4Confident73.2Confident153 Ų153112.4 Ų112.458%0.57761%0.608SS**Hα-helixtrans-64.1-32.6175.5-84176.8-85.9-163.7-12.1113.7E113 E114 M115E113-R117 VanDerWaalsContact O-CB 3.29Å; E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 VanDerWaalsContact O-CG 3.31Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.87Å; E113-R117 PolarHBondContact O-NE 3.28Å; E113-R117 IonicContact OE2-NH2 2.96Å; E113-R117 PolarHBondContact OE2-NH2 2.96Å; E114-R117 PolarHBondContact O-N 3.38Å; M115-R117 VanDerWaalsContact C-N 3.34Å; M115-R117 PolarHBondContact O-N 3.25Å
118A77.9Confident70.9Confident87 Ų87115.2 Ų115.272%0.71962%0.619SS**Hα-helixtrans-75.9-27.2175.700000113.3E114 M115 I116E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.73Å; M115-A118 PolarHBondContact O-N 2.73Å; I116-A118 VanDerWaalsContact C-N 3.32Å; I116-A118 PolarHBondContact O-N 2.66Å
119L76.3Confident68.4Low129 Ų129115.8 Ų115.868%0.67562%0.624SS**Hα-helixtrans-94.7-16.7178.8-65.2174.6000113.6M115 I116 P121M115-L119 HydrophobicContact CG-CD1 3.87Å; M115-L119 HydrophobicContact CG-CG 4.47Å; M115-L119 WeakPolarHBondContact O-CB 3.49Å; M115-L119 VanDerWaalsContact O-CG 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.41Å; M115-L119 PolarHBondContact O-N 2.92Å; I116-L119 PolarHBondContact O-N 2.88Å; L119-P121 WeakPolarHBondContact O-CD 3.1Å
120T76.1Confident66.3Low75 Ų75117.4 Ų117.446%0.4664%0.637SS.*SBendtrans-72121.8176.2-61.50000109.8I116 C122I116-T120 WeakPolarHBondContact O-CB 3.35Å; I116-T120 PolarHBondContact O-N 3.33Å; I116-T120 PolarHBondContact O-OG1 2.78Å; T120-C122 PolarHBondContact O-N 3.18Å
121P65.3Low63.8Low120 Ų120121.9 Ų121.978%0.77965%0.65SS**  trans-69.798.1176.5-17.832.4000110.7L119 P123L119-P121 WeakPolarHBondContact O-CD 3.1Å; P121-P123 WeakPolarHBondContact O-CD 3.41Å
122C59Low61.6Low106 Ų106122.5 Ų122.572%0.71666%0.658SS**PPolyproline II helixtrans-62.7121.8168.3-71.10000109.1T120T120-C122 PolarHBondContact O-N 3.18Å
123P55.6Low59.7Low102 Ų102125 Ų12566%0.66267%0.669SS**PPolyproline II helixtrans-60.6145.6165.927.9-33.7000108.5P121 T125P121-P123 WeakPolarHBondContact O-CD 3.41Å; P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.08Å
124P49.3Very low57.6Low116 Ų116128.6 Ų128.675%0.75369%0.691SS**PPolyproline II helixtrans-58.8121.1178.525-33.5000108.8T126P124-T126 PolarHBondContact O-N 3.24Å
125T47.1Very low55.7Low140 Ų140129.2 Ų129.286%0.85971%0.707SS**  trans-69.882.1179.2-48.50000109.6P123 S127P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.08Å; T125-S127 PolarHBondContact O-N 3.1Å
126T40.6Very low53.5Low104 Ų104127.4 Ų127.464%0.63872%0.717SS**  trans-53.7126.7167.853.40000108.1P124 R128P124-T126 PolarHBondContact O-N 3.24Å; T126-R128 PolarHBondContact O-N 2.64Å
127S49.3Very low52.1Low116 Ų116129.2 Ų129.281%0.81173%0.734SS**  trans-58.2103.3-178.852.30000111.1T125T125-S127 PolarHBondContact O-N 3.1Å
128R40.9Very low49.7Very low218 Ų218130.6 Ų130.682%0.82375%0.752SS**  trans-99.4109.4155.6-67.5-170.2178.4-160.3-1.2106.5T126T126-R128 PolarHBondContact O-N 2.64Å
129S35Very low47.4Very low95 Ų95129.4 Ų129.466%0.66475%0.749SS**  57.9111.163.784.80000110.4
130I47.5Very low45.4Very low152 Ų152132.8 Ų132.878%0.77976%0.758SS**SBendtrans-67.3156.9171-50.5167.9000107.7
131W34.7Very low43.3Very low213 Ų213136.7 Ų136.781%0.80777%0.77SS**  trans91.3156.4176-59.389000117.5
132E38.7Very low41.7Very low137 Ų137140.9 Ų140.964%0.6478%0.777SS**  trans56.4124.7-176.1-80.955.4-93.800118.8
133Q47.3Very low40.3Very low163 Ų163140 Ų14076%0.76278%0.778SS**  cis-162152.7-14.5-140.8173.729.500111.4
134L39.8Very low39.6Very low168 Ų168140.6 Ų140.688%0.8878%0.781SS**  trans-87.9133.7157.7-77.2165.4000108.9
135S43.8Very low38.7Very low120 Ų120140.1 Ų140.184%0.83978%0.779SS**  trans-80.3127.4167.9-55.30000110.1
136G35.9Very low37.9Very low72 Ų72140.6 Ų140.674%0.74278%0.777SS**  trans-87.2-148.5179.500000113.7
137P53Low37.9Very low128 Ų128143.6 Ų143.683%0.83179%0.787SS**  cis-134.9-172.923.742.8-26000116.2
138L29.8Very low37.2Very low181 Ų181143.4 Ų143.495%0.94878%0.783SS**  trans77.1120.8165-151.576.5000116.6
139G31.6Very low37.1Very low63 Ų63138.2 Ų138.265%0.64978%0.78SS**  cis169.9165.6-9.600000113.7
140K33.8Very low37Very low199 Ų199141 Ų14187%0.86579%0.787SS**  trans82.3129.7176.4-55.9178.4-178.5178.40117.6
141H30.9Very low36.6Very low157 Ų157139.4 Ų139.473%0.72778%0.784SS**  trans-8.4148.3159.8-37.8-81.9000118.5
142F31.8Very low37.3Very low208 Ų208139.1 Ų139.191%0.91278%0.783SS**  cis-139.5177.428.7-74.6-96.6000114
143A30.5Very low37.1Very low89 Ų89138.4 Ų138.474%0.73679%0.79SS**  trans-137.7173.4168.800000108.2
144P40.4Very low36.7Very low113 Ų113135.8 Ų135.873%0.73479%0.79SS**  cis-136.8-166.52.337.9-16.9000114.9
145C30.3Very low36.7Very low107 Ų107135 Ų13572%0.72379%0.792SS**  trans95150.5149.4-71.60000122.5
146D29.6Very low36.3Very low150 Ų150133.1 Ų133.180%0.80279%0.785SS**  trans66.2112159.3-54.4-23.8000121.5
147I41.7Very low36.8Very low166 Ų166136.3 Ų136.385%0.85179%0.792SS**  trans-90.8127.8164.3-58.8167.3000108.8
148P34.8Very low36Very low113 Ų113134 Ų13473%0.73479%0.791SS**  trans-117.6120.5148.214.94.4000110.9
149S37.9Very low36.8Very low108 Ų108135.4 Ų135.476%0.75579%0.79SS**  trans-74121.616755.40000110.9
150L33.7Very low37.3Very low155 Ų155141.3 Ų141.381%0.81280%0.803SS**  trans-178.3149.8168.1-99.2164.7000106.9
151T38.3Very low37.8Very low118 Ų118140.8 Ų140.872%0.72480%0.803SS**  cis-145.8154.6-0.4-38.20000110.1
152R48.8Very low38.7Very low206 Ų206144.8 Ų144.878%0.77781%0.812SS**  trans-74.9141.1164.4177.5-170.5178.8-151.11.6110.3
153P36.4Very low39.4Very low122 Ų122140.9 Ų140.979%0.79281%0.808SS**  trans-55.2141.6172.9-26.335.4000113
154S39.1Very low40.1Very low109 Ų109143.1 Ų143.176%0.76281%0.812SS**  trans-115.493.6-15956.40000114.7
155T38.5Very low40.2Very low150 Ų150149 Ų14992%0.9282%0.819SS**  trans-155.869.1164.413.20000112.1
156A36Very low41.4Very low82 Ų82151.4 Ų151.468%0.67882%0.824SS**  trans-155.6119161.800000109.6
157P46.8Very low42.5Very low139 Ų139153.7 Ų153.790%0.90383%0.827SS**  trans-85.2177.5-17935.9-36.3000112.4
158G36.3Very low42.6Very low79 Ų79151.9 Ų151.981%0.81483%0.826SS**  trans108.699.316400000115
159K46.7Very low43Very low211 Ų211154.4 Ų154.492%0.91783%0.832SS**  trans-81.7131.5167.1-56.3171.8-174.61730109.2
160M41.2Very low42.9Very low187 Ų187156 Ų15692%0.92183%0.827SS**  trans-140.4154.6151.1-71-155.48500110.3
161Q45Very low42.7Very low187 Ų187159.8 Ų159.887%0.87483%0.83SS**PPolyproline II helixtrans-78154.6-164.9-76.6154.6-7100114.6
162R48.2Very low42.5Very low242 Ų242164.4 Ų164.491%0.91384%0.835SS**PPolyproline II helixtrans-93.4125.4164.2-71.8180174.2170-1.6110.7
163P47.5Very low41.8Very low126 Ų126160.1 Ų160.182%0.81884%0.836SS**PPolyproline II helixtrans-71.9165.7158.8-21.535.6000113.1
164V43.9Very low41.6Very low135 Ų135158.7 Ų158.782%0.81883%0.829SS**PPolyproline II helixtrans-72.2149.1-164.6175.90000114.3
165R44.2Very low41.4Very low238 Ų238159.7 Ų159.790%0.89883%0.831SS**PPolyproline II helixtrans-96.4123.7174.2-177.6-177.7-168.9146.51.3111.2
166L53.8Low41.1Very low157 Ų157156.6 Ų156.682%0.82282%0.82SS**PPolyproline II helixtrans-96.6159.6168.8-63.8-179.6000111.7
167K53Low41Very low197 Ų197161 Ų16186%0.85783%0.831SS**PPolyproline II helixtrans-96.1152.5-175.9-70.1-176.4179.3178.50112.2
168P43.9Very low41Very low129 Ų129159.5 Ų159.584%0.83882%0.822SS**PPolyproline II helixtrans-67.5146.5172.5-15.130000112.2
169I43.4Very low40.8Very low166 Ų166167.5 Ų167.585%0.85183%0.827SS**PPolyproline II helixtrans-93135.5172.5-62.2176.5000109.3
170H35.9Very low40.1Very low142 Ų142165.7 Ų165.766%0.65782%0.822SS**  trans-114.6130.2177.7172.963.1000110.8
171R30.7Very low39.5Very low234 Ų234164.6 Ų164.688%0.88382%0.818SS**  trans-142.1140.3160.3-80.3-160.7176-1330.8111.4
172R33.7Very low38.8Very low215 Ų215160.1 Ų160.181%0.81181%0.807SS**  trans-84.5163.7161.8-45.1175.6-173.3175.62.3106.5
173S34.2Very low38.8Very low116 Ų116153.6 Ų153.681%0.81180%0.797SS**  cis-154.7-175.614.249.20000106.9
174S31.7Very low37.9Very low92 Ų92156.1 Ų156.164%0.64379%0.791SS**  cis-168.816229.1-165.70000112.2
175T35Very low37.3Very low130 Ų130161.6 Ų161.680%0.79880%0.797SS**  trans47.9139.8151.729.80000125
176A31.8Very low36.6Very low85 Ų85158 Ų15870%0.70279%0.788SS**  trans8188.8139.400000122.6
177L33.5Very low35.3Very low173 Ų173155.5 Ų155.591%0.90678%0.784SS**  64.5161.3118.6-72.6173.2000120.8
178P48Very low34Very low108 Ų108153.7 Ų153.770%0.70178%0.782SS**  trans-104.9168.8-146.640.3-37.8000115.4
179R31.7Very low33.3Very low248 Ų248152 Ų15294%0.93677%0.774SS**  trans-130105.7157.4-73.2-170.7175.4152.22.6112.4
180H31.7Very low32.4Very low172 Ų172153.4 Ų153.480%0.79677%0.774SS**  trans-63.8146.9152.7-170.7-98.7000109.4
181I29.1Very low32.1Very low164 Ų164153.4 Ų153.484%0.84178%0.778SS**  trans-173.1151147.4-101.5152.9000110
182S29.1Very low31.8Very low93 Ų93149.2 Ų149.265%0.6577%0.769SS**  trans-115-140.2-176.1-166.80000110
183P49.5Very low31.6Very low106 Ų106144.7 Ų144.769%0.68877%0.77SS**  -118.2-178.2-104.736.6-22.2000115.7
184Y28.1Very low31.4Very low179 Ų179147 Ų14770%0.70277%0.768SS**  trans83.1116139.3-141.5-93.8000120.2K186Y184-K186 HydrophobicContact CE1-CD 4.35Å; Y184-K186 HydrophobicContact CE1-CG 4.13Å; Y184-K186 WeakPolarHBondContact OH-CE 3.39Å
185R31.8Very low32Very low249 Ų249146.8 Ų146.894%0.9476%0.764SS**  trans-159.2169.8132.6-113.3-178.7-166.2-116.73.6112.3
186K29.6Very low31.7Very low163 Ų163149.4 Ų149.471%0.70976%0.761SS**  trans-122.3151.2-167.1-57169.1174.6172.20112.3Y184Y184-K186 HydrophobicContact CE1-CD 4.35Å; Y184-K186 HydrophobicContact CE1-CG 4.13Å; Y184-K186 WeakPolarHBondContact OH-CE 3.39Å
187S26.5Very low31.5Very low105 Ų105151.9 Ų151.973%0.73476%0.762SS**  trans177.8136.3140.9-99.50000107.6
188L25.8Very low31.2Very low158 Ų158149.4 Ų149.483%0.82776%0.758SS**  60.6135.368.7-63173.5000113.5
189S28.8Very low30.2Very low95 Ų95152 Ų15266%0.66477%0.765SS**  cis-179.9155.9-16.546.50000110.8
190F24.5Very low30.1Very low195 Ų195143.7 Ų143.786%0.85575%0.75SS**  trans66.6174.3154.7-134.6-97.4000116.3
191L29.2Very low30Very low141 Ų141141.5 Ų141.574%0.73874%0.744SS**  trans10795.9178.1-67.1127.8000115.2
192E24.1Very low30.1Very low147 Ų147140.7 Ų140.769%0.68773%0.734SS**  trans-86.3160.4179.480.7-139-111.800114.3
193S30.2Very low30.3Very low120 Ų120144.9 Ų144.984%0.83974%0.741SS**  trans173.6130138.255.40000111.6
194Q29.5Very low29.5Very low165 Ų165145.9 Ų145.977%0.77175%0.75SS**  trans-97.7-171.8165.6-123.1-167.727.400108.2
195P45Very low29.7Very low87 Ų87146.7 Ų146.757%0.56575%0.752SS**  cis-143.5-171.4-22.239-19.4000115.9
196Y28.5Very low29.8Very low184 Ų184146.7 Ų146.772%0.72275%0.752SS**  trans68.7130.4139-71.6-43.3000125.9
197N27.7Very low30Very low138 Ų138147.7 Ų147.774%0.73875%0.752SS**  94.1158.2129.1-72.8-6.3000124
198C26.6Very low30.2Very low121 Ų121152.1 Ų152.182%0.81876%0.758SS**  trans74.9151.1167.6-61.70000118.6
199L27.7Very low30.4Very low163 Ų163149.7 Ų149.785%0.85375%0.75SS**  cis-161165.1-34.5-164.762.4000107.4
200A29Very low30.4Very low73 Ų73151.3 Ų151.360%0.60376%0.756SS**  trans-75.1151.2178.200000113.7
201N30.9Very low30.8Very low126 Ų126150.4 Ų150.467%0.67475%0.751SS**  177.4155.3106.1-99.7-54.9000119.4
202F29.9Very low30.9Very low146 Ų146149.7 Ų149.764%0.6475%0.749SS**  trans59.7108.3147.5-60-34.5000125.9
203K32.9Very low31.3Very low181 Ų181150.9 Ų150.979%0.78776%0.758SS**  57.3134113.6-63.7164.6-177158.60121.2
204S33.8Very low31.3Very low127 Ų127155.2 Ų155.289%0.88876%0.757SS**  trans-138.5155.6134.7660000111.3
205R32Very low32.1Very low197 Ų197153.4 Ų153.474%0.74376%0.76SS**  trans-111.6157.7-174-107.2-175.3172.7-170.72.7111.5
206R34.3Very low31.3Very low248 Ų248152.6 Ų152.694%0.93677%0.767SS**  trans-149.6159.5143.3-119.2178.2-86-162.4-2.2110.4
207R34Very low31.5Very low185 Ų185152.8 Ų152.870%0.69878%0.78SS**  trans-144.2139.6-173.8-85.5-177.3164.9-173.9-6.4111.4
208F29.5Very low31.8Very low197 Ų197152.4 Ų152.486%0.86478%0.777SS**  trans-164.6147.3155.6-76.6-51.5000107.3
209T30.4Very low32.1Very low108 Ų108152.2 Ų152.266%0.66378%0.778SS**  cis78.4125.52.8800000117.4
210T29.4Very low32.4Very low128 Ų128153.4 Ų153.479%0.78578%0.776SS**  cis-168.6164.83.94.30000113.1
211K32.8Very low33Very low176 Ų176155.9 Ų155.977%0.76579%0.788SS**  trans71.3106.7158.6-70.7-165.5170.9-171.80121.5
212D30Very low33.2Very low127 Ų127157.7 Ų157.768%0.67980%0.797SS**  50.1125.1118.1-38.5-32000122.9
213I32.9Very low33.5Very low172 Ų172156.6 Ų156.688%0.88280%0.804SS**  -162.7137.7128.3-97152.5000108.8
214Y30.4Very low33.5Very low210 Ų210153.8 Ų153.882%0.82480%0.802SS**  trans-97.3176.3178.5-92.4-87.7000110.8
215P45.7Very low33.6Very low128 Ų128154.1 Ų154.183%0.83180%0.799SS**  cis-135.2176.821.742.1-23.6000117.4
216G28.7Very low33.7Very low69 Ų69153.7 Ų153.771%0.71180%0.802SS**  trans-170.58-177.300000122.9
217L32.9Very low33.8Very low189 Ų189148.8 Ų148.899%0.9980%0.795SS**  trans63.3164.4172.5-68.8171.3000119.2
218D33.1Very low33.9Very low129 Ų129150 Ų15069%0.6981%0.805SS**  trans-118.2154.5-171.1169.144.8000112
219S33.7Very low34.4Very low118 Ų118147.7 Ų147.783%0.82580%0.801SS**  trans-176.2107.8160.1-80.40000112.2
220F34.4Very low34.7Very low187 Ų187149.8 Ų149.882%0.8281%0.806SS**  trans-85.4137.4161.3-81.9-99.3000111.5
221C40.6Very low35.1Very low126 Ų126149 Ų14985%0.85180%0.803SS**  trans178.8144.5138.4-97.30000112.3
222L36.2Very low35.4Very low163 Ų163146.8 Ų146.885%0.85380%0.804SS**  trans-131.6145.9162.3-75.3177.2000109.2
223P35.7Very low36Very low124 Ų124146 Ų14681%0.80581%0.806SS**  trans-77.9134.7-167.329.8-35.3000113.5
224V33Very low36.6Very low121 Ų121143.5 Ų143.573%0.73380%0.801SS**  trans-87.9137.8170.9175.10000110K226V224-K226 HydrophobicContact CG1-CG 4.14Å
225T37Very low36.9Very low135 Ų135138 Ų13883%0.82880%0.8SS**  trans-125104.6161.642.30000109.8
226K33.5Very low36.9Very low187 Ų187138.6 Ų138.681%0.81380%0.801SS**  trans-82134.2167.7-71.6-177.8177-179.20108.5V224V224-K226 HydrophobicContact CG1-CG 4.14Å
227N36.5Very low37.4Very low145 Ų145140.4 Ų140.478%0.77580%0.8SS**  trans-15187.5165.7-95.5-34.1000109.5
228F35.8Very low38Very low211 Ų211137.2 Ų137.293%0.92579%0.79SS**  trans-118.7104163.2-79.4-73.6000108
229I39.2Very low38Very low149 Ų149137.7 Ų137.776%0.76480%0.798SS**PPolyproline II helixtrans-103.1119.8165-63.7174.9000105.8P231I229-P231 WeakPolarHBondContact O-CD 3.4Å
230I36.3Very low37.8Very low152 Ų152135.3 Ų135.378%0.77979%0.792SS**PPolyproline II helixtrans-84.5119.2168.8-61.4174.6000106.7T232I230-T232 PolarHBondContact O-N 2.76Å
231P37.9Very low37.8Very low112 Ų112131.1 Ų131.173%0.72779%0.792SS**PPolyproline II helixtrans-74119.7175.8-14.430.4000110.4I229I229-P231 WeakPolarHBondContact O-CD 3.4Å
232T39.1Very low37.9Very low128 Ų128131 Ų13179%0.78579%0.79SS**PPolyproline II helixtrans-61134.7166.1-46.50000109.3I230I230-T232 PolarHBondContact O-N 2.76Å
233P42.8Very low37.6Very low111 Ų111128.3 Ų128.372%0.72179%0.785SS**PPolyproline II helixtrans-64.9140.5176.926.9-34.6000111
234P46Very low37.6Very low119 Ų119127.3 Ų127.377%0.77378%0.78SS**PPolyproline II helixtrans-69.2145176.929.2-34.6000111.4
235A36.5Very low37.6Very low96 Ų96126.9 Ų126.979%0.79378%0.778SS**PPolyproline II helixtrans-64.7153.5172.800000111.6P237A235-P237 VanDerWaalsContact O-CD 3.32Å; A235-P237 WeakPolarHBondContact O-CD 3.31Å
236V46.7Very low38.1Very low140 Ų140127.3 Ų127.385%0.84877%0.774SS**  trans-92.7113.7-175.1-166.50000110.6
237P38.8Very low38.2Very low106 Ų106130 Ų13069%0.68878%0.779SS**  trans-78.2139.7169.331.9-33.2000110.6A235A235-P237 VanDerWaalsContact O-CD 3.32Å; A235-P237 WeakPolarHBondContact O-CD 3.31Å
238P45.8Very low38.2Very low122 Ų122126.7 Ų126.779%0.79278%0.779SS**  trans-87135.9177.833.6-33000111.7
239T32Very low38.1Very low139 Ų139128.7 Ų128.785%0.85378%0.78SS**  trans-160138.9157.2-140000113
240G30.9Very low38Very low69 Ų69131.5 Ų131.571%0.71178%0.781SS**  trans-79.1173.4155.700000111.5
241A33.8Very low37.9Very low98 Ų98132.7 Ų132.781%0.8179%0.788SS**  trans-80.3167.1175.400000111.5
242P43Very low38Very low125 Ų125137.7 Ų137.781%0.81279%0.792SS**  -150.2136.571.936.7-15.9000119
243S30.5Very low37.9Very low106 Ų106137 Ų13774%0.74179%0.79SS**  46131129-154.70000125
244S34Very low37.3Very low102 Ų102137.3 Ų137.371%0.71380%0.795SS**  trans80.3154.2146.9830000118.9
245T34.7Very low36.6Very low112 Ų112138.5 Ų138.569%0.68780%0.8SS**  cis-136.4132.411.253.40000112.2
246I45.8Very low36.3Very low144 Ų144139.1 Ų139.174%0.73880%0.799SS**  58.2117.597-51.8159.3000113.8
247R36.8Very low35.5Very low245 Ų245137.4 Ų137.493%0.92579%0.793SS**  -158.1158.455.8-58.5167.6-169.9-150.7-2.7110.8
248G35Very low35.1Very low74 Ų74137.8 Ų137.876%0.76380%0.798SS**  cis133.9117.7-10.300000115.3
249R35.7Very low34.2Very low253 Ų253135.4 Ų135.496%0.95580%0.795SS**  trans-15887.7161.6-114.7179.4-152.8-156.87.1116.4
250R35.9Very low34.3Very low209 Ų209134.5 Ų134.579%0.78979%0.79SS**  trans34.7117.7139.6-175.2-176.8-69.9-148.6-2120.5
251L34.7Very low34.7Very low176 Ų176140.5 Ų140.592%0.92180%0.799SS**  trans-124.6157130.7-74.8178.9000109.5
252R39Very low34.7Very low217 Ų217145.2 Ų145.282%0.81980%0.797SS**  trans-98.6143.2-178.2-86.3179.8166.7159.8-8.2111.8
253P37.4Very low34.6Very low113 Ų113144 Ų14473%0.73479%0.79SS**  trans-89.9161147.934.9-30.2000111.9
254S30.9Very low35.1Very low118 Ų118144.7 Ų144.783%0.82580%0.795SS**  trans101.3103170.8-470000117.7
255T30.3Very low35.7Very low145 Ų145150.9 Ų150.989%0.8980%0.802SS**  trans-152.7147.5136.228.60000108.7
256S30.5Very low36.3Very low109 Ų109153.5 Ų153.576%0.76281%0.811SS**  trans-56.1157.6177.950.80000113.6
257S29.8Very low36.1Very low103 Ų103156 Ų15672%0.7282%0.816SS**  -174.5172.156.348.90000113.5
258S30.7Very low36.4Very low115 Ų115148.6 Ų148.680%0.80482%0.817SS**  trans4.4127.616156.10000120.2
259G27.3Very low37.1Very low71 Ų71147.8 Ų147.873%0.73280%0.8SS**  trans179.490.2164.400000117.6
260V33.8Very low38.1Very low121 Ų121139.9 Ų139.973%0.73378%0.775SS**  trans47.2116146.8-167.90000119.1Y262V260-Y262 HydrophobicContact CB-CE2 4.42Å; V260-Y262 HydrophobicContact CG1-CD2 3.99Å; V260-Y262 HydrophobicContact CG1-CE2 3.74Å; V260-Y262 PolarHBondContact O-N 2.75Å
261E39.5Very low39.9Very low194 Ų194136.6 Ų136.691%0.90777%0.769SS**  trans-60.9130.6164.4-64.7-171.5114.200112.3
262Y32.7Very low42.1Very low197 Ų197129.8 Ų129.877%0.77373%0.732SS**  trans-119.1122.3163.7-90.7-91.5000109.9V260 S264V260-Y262 HydrophobicContact CB-CE2 4.42Å; V260-Y262 HydrophobicContact CG1-CD2 3.99Å; V260-Y262 HydrophobicContact CG1-CE2 3.74Å; V260-Y262 PolarHBondContact O-N 2.75Å; Y262-S264 PolarHBondContact O-N 2.73Å
263P42.3Very low44Very low101 Ų101120 Ų12066%0.65670%0.697SS**  trans-75.4111.1-177.928.5-33.5000111.3R265P263-R265 VanDerWaalsContact C-N 3.35Å; P263-R265 PolarHBondContact O-N 3.33Å
264S40.6Very low46.3Very low120 Ų120124.1 Ų124.184%0.83970%0.698SS**  trans-65.383.6177.4-62.70000113Y262 L266Y262-S264 PolarHBondContact O-N 2.73Å; S264-L266 PolarHBondContact O-N 2.82Å
265R45.5Very low49.1Very low232 Ų232118.7 Ų118.788%0.87566%0.66SS**  trans-7343.2178-67.4-171.2174.6-153.6-0.4114.3P263P263-R265 VanDerWaalsContact C-N 3.35Å; P263-R265 PolarHBondContact O-N 3.33Å
266L47.7Very low52Low167 Ų167115.1 Ų115.187%0.87463%0.633SS**  trans-139.769.4175.5-77.4-179.6000112.6S264S264-L266 PolarHBondContact O-N 2.82Å
267K41.4Very low55Low195 Ų195110.1 Ų110.185%0.84860%0.598SS**  trans-157.8136.4147.9-127.3172.4-175.8178.30109.7S269K267-S269 PolarHBondContact O-N 2.85Å
268G44.7Very low58Low91 Ų91105.9 Ų105.994%0.93857%0.567SS**  trans-72.255.4167.100000111.1
269S48.3Very low61Low57 Ų57100.4 Ų100.440%0.39953%0.529SS..  trans-77.6125.8-176.8-169.90000109.7K267 H271K267-S269 PolarHBondContact O-N 2.85Å; S269-H271 PolarHBondContact O-N 2.91Å; S269-H271 VanDerWaalsContact O-N 3.17Å
270I58.2Low64.1Low87 Ų8798.2 Ų98.245%0.44650%0.502SS..  trans-50.3125.1153.9-57.5165.8000106.4Q272 H331 Y334I270-Q272 PolarHBondContact O-N 2.98Å; I270-H331 WeakPolarHBondContact CA-CE1 3.48Å; I270-H331 WeakPolarHBondContact CB-CE1 3.28Å; I270-H331 WeakPolarHBondContact CB-ND1 3.49Å; I270-H331 HydrophobicContact CG2-CB 3.75Å; I270-H331 WeakPolarHBondContact CG2-CE1 3.48Å; I270-H331 WeakPolarHBondContact CG2-ND1 3.5Å; I270-H331 PolarHBondContact O-CE1 3.03Å; I270-H331 PolarHBondContact O-ND1 2.95Å; I270-H331 PolarHBondContact O-NE2 2.88Å; I270-Y334 HydrophobicContact CG2-CE2 4.42Å
271H72.2Confident66.9Low139 Ų13992.5 Ų92.564%0.64447%0.467SS*.  trans-63.9114-169.5-74.178.1000109.9S269 R332S269-H271 PolarHBondContact O-N 2.91Å; S269-H271 VanDerWaalsContact O-N 3.17Å; H271-R332 WeakPolarHBondContact O-CB 3.48Å; H271-R332 VanDerWaalsContact O-CG 3.27Å; H271-R332 WeakPolarHBondContact O-CG 3.36Å; H271-R332 PolarHBondContact O-N 3.49Å
272Q80.9Confident69.2Low34 Ų3486.7 Ų86.716%0.15944%0.439CS..BIsolated β-bridgetrans-69.4146173.2-68.5-170-27.900109.6I270 R329 R330I270-Q272 PolarHBondContact O-N 2.98Å; Q272-R329 VanDerWaalsContact CD-O 3.27Å; Q272-R329 WeakPolarHBondContact CG-O 3.43Å; Q272-R329 PolarHBondContact NE2-O 3.09Å; Q272-R330 CarbonylContact C-O 3.5Å; Q272-R330 VanDerWaalsContact CA-O 3.29Å; Q272-R330 WeakPolarHBondContact CA-O 3.28Å
273S79.8Confident71.5Confident12 Ų1277.7 Ų77.78%0.08441%0.406CS..  trans-66.4-41.4-175.266.60000112.1V275 S328 R330 E355S273-V275 PolarHBondContact O-N 2.77Å; S273-S328 PolarHBondContact OG-O 2.8Å; S273-S328 PolarHBondContact OG-OG 3Å; S273-R330 PolarHBondContact N-O 3.04Å; S273-E355 VanDerWaalsContact CB-OE1 3.24Å; S273-E355 WeakPolarHBondContact CB-OE1 3.44Å; S273-E355 PolarHBondContact OG-OE1 3.38Å
274R84.9Confident72.9Confident199 Ų19976.6 Ų76.675%0.75139%0.391SS*.  trans55.430.1-175.3-67-170174.5-165-0.6113.3S328R274-S328 WeakPolarHBondContact CA-O 3.44Å; R274-S328 PolarHBondContact N-O 2.84Å; R274-S328 VanDerWaalsContact N-O 3.07Å
275V89.6Confident73.7Confident3 Ų377.6 Ų77.62%0.01839%0.386CS..  trans-70.8130.9177.1172.40000109.4S273 V277 L327 S328 E355 M376 E377 A379S273-V275 PolarHBondContact O-N 2.77Å; V275-V277 HydrophobicContact CG1-CG2 4.05Å; V275-L327 CarbonylContact O-C 3.58Å; V275-L327 WeakPolarHBondContact O-CA 3.39Å; V275-S328 PolarHBondContact O-N 2.92Å; V275-E355 HydrophobicContact CB-CG 4.1Å; V275-E355 HydrophobicContact CG1-CB 4.04Å; V275-E355 HydrophobicContact CG1-CG 4.07Å; V275-E355 HydrophobicContact CG2-CG 4.31Å; V275-M376 HydrophobicContact CG1-CB 4.32Å; V275-E377 WeakPolarHBondContact CG1-O 3.4Å; V275-A379 HydrophobicContact CG1-CB 3.76Å; V275-A379 HydrophobicContact CG2-CB 4.32Å
276Q92.1Very high74.2Confident70 Ų7071 Ų7133%0.32737%0.372SS..EExtended strand (participates in β ladder)trans-85.2120.7172.3-173.4163-17.100108.6L327 M376 E377Q276-L327 HydrophobicContact CB-CD2 3.82Å; Q276-L327 HydrophobicContact CG-CD2 4.07Å; Q276-M376 CarbonylContact O-C 3.54Å; Q276-M376 VanDerWaalsContact O-CA 3.3Å; Q276-M376 WeakPolarHBondContact O-CA 3.25Å; Q276-E377 HydrophobicContact CB-CB 4.33Å; Q276-E377 PolarHBondContact N-O 3.27Å; Q276-E377 PolarHBondContact O-N 2.67Å
277V92.4Very high74.7Confident5 Ų568.8 Ų68.83%0.0336%0.356CS..EExtended strand (participates in β ladder)trans-110.4123-177-175.60000108.2V275 M279 Q325 F326 F373 M376V275-V277 HydrophobicContact CG1-CG2 4.05Å; V277-M279 HydrophobicContact CG1-CG 4.03Å; V277-M279 HydrophobicContact CG1-SD 4.27Å; V277-Q325 VanDerWaalsContact O-CA 3.31Å; V277-Q325 WeakPolarHBondContact O-CA 2.75Å; V277-F326 HydrophobicContact CB-CD2 4.32Å; V277-F326 HydrophobicContact CB-CE1 4.36Å; V277-F326 HydrophobicContact CB-CE2 3.89Å; V277-F326 HydrophobicContact CB-CZ 3.91Å; V277-F326 HydrophobicContact CG1-CE1 4.28Å; V277-F326 HydrophobicContact CG1-CE2 4.27Å; V277-F326 HydrophobicContact CG1-CZ 3.82Å; V277-F326 HydrophobicContact CG2-CE2 4.14Å; V277-F326 PolarHBondContact N-O 3.37Å; V277-F326 PolarHBondContact O-N 2.86Å; V277-F373 HydrophobicContact CG1-CD1 4.02Å; V277-F373 HydrophobicContact CG1-CE1 3.92Å; V277-M376 HydrophobicContact CB-CG 4.48Å; V277-M376 HydrophobicContact CG1-CG 4.15Å; V277-M376 HydrophobicContact CG2-CG 4.33Å
278T93Very high75.4Confident13 Ų1367 Ų678%0.0836%0.355CS..EExtended strand (participates in β ladder)trans-107.2125178.3-48.70000109.2V323 Q325 S374 S375T278-V323 HydrophobicContact CG2-CG1 3.47Å; T278-V323 VanDerWaalsContact CG2-CG1 3.47Å; T278-Q325 HydrophobicContact CG2-CG 3.94Å; T278-S374 PolarHBondContact O-N 2.88Å; T278-S375 WeakPolarHBondContact CB-O 3.39Å; T278-S375 WeakPolarHBondContact CB-OG 3.33Å; T278-S375 PolarHBondContact N-O 3.48Å; T278-S375 PolarHBondContact O-N 3.49Å; T278-S375 PolarHBondContact OG1-OG 3.48Å; T278-S375 VanDerWaalsContact OG1-OG 3.1Å
279M93.4Very high75.8Confident0 Ų066.2 Ų66.20%034%0.336CS..EExtended strand (participates in β ladder)trans-129.6150.4-176.2-69.4-174.25500111.5V277 V323 F324 F326 F340 I364 F371 G372 F373V277-M279 HydrophobicContact CG1-CG 4.03Å; V277-M279 HydrophobicContact CG1-SD 4.27Å; M279-V323 CarbonylContact O-C 3.56Å; M279-V323 WeakPolarHBondContact O-CA 3.33Å; M279-F324 HydrophobicContact CB-CD1 4.14Å; M279-F324 HydrophobicContact CB-CE1 3.61Å; M279-F324 HydrophobicContact CB-CE2 4.16Å; M279-F324 HydrophobicContact CB-CZ 3.63Å; M279-F324 HydrophobicContact CE-CZ 4.14Å; M279-F324 HydrophobicContact CG-CZ 4.48Å; M279-F324 PolarHBondContact N-O 2.9Å; M279-F324 WeakPolarHBondContact O-CD1 3.4Å; M279-F324 PolarHBondContact O-N 2.91Å; M279-F324 HydrophobicContact SD-CZ 4.29Å; M279-F326 HydrophobicContact CG-CE1 4.29Å; M279-F326 HydrophobicContact SD-CE1 3.6Å; M279-F326 VanDerWaalsContact SD-CE1 3.6Å; M279-F326 HydrophobicContact SD-CZ 3.83Å; M279-F340 HydrophobicContact CE-CD1 4.4Å; M279-F340 HydrophobicContact CE-CE1 3.4Å; M279-F340 HydrophobicContact CE-CZ 3.64Å; M279-F340 HydrophobicContact SD-CE1 3.88Å; M279-F340 HydrophobicContact SD-CZ 4Å; M279-I364 HydrophobicContact CE-CD1 3.24Å; M279-F371 HydrophobicContact CE-CB 3.75Å; M279-F371 HydrophobicContact CE-CG 4.46Å; M279-G372 CarbonylContact C-O 3.6Å; M279-G372 WeakPolarHBondContact CA-O 3.33Å; M279-G372 WeakPolarHBondContact CB-O 3.44Å; M279-F373 HydrophobicContact CG-CD1 4.18Å; M279-F373 HydrophobicContact CG-CE1 4.5Å; M279-F373 HydrophobicContact SD-CD1 4.38Å; M279-F373 HydrophobicContact SD-CE1 4.14Å
280V93.1Very high76.1Confident25 Ų2570.8 Ų70.815%0.15236%0.356CS..EExtended strand (participates in β ladder)trans-101.1136.8171.5-166.60000108.2F282 V323 F371 G372V280-F282 HydrophobicContact CB-CE2 4.12Å; V280-F282 HydrophobicContact CB-CZ 4.04Å; V280-F282 HydrophobicContact CG1-CD1 4.36Å; V280-F282 HydrophobicContact CG1-CE1 4.03Å; V280-F282 HydrophobicContact CG1-CE2 4.44Å; V280-F282 HydrophobicContact CG1-CZ 4.07Å; V280-V323 HydrophobicContact CG2-CG2 4.35Å; V280-F371 CarbonylContact O-C 3.58Å; V280-F371 WeakPolarHBondContact O-CA 2.73Å; V280-G372 PolarHBondContact N-O 3.02Å; V280-G372 PolarHBondContact O-N 2.94Å
281Y92.9Very high75.9Confident1 Ų172.5 Ų72.50%0.00436%0.361CS..EExtended strand (participates in β ladder)trans-96121.7167176.8-122.6000109.3D297 I299 L318 R319 G321 D322 Q342 L370 F371Y281-D297 HydrophobicContact CE1-CB 4.44Å; Y281-D297 PolarHBondContact OH-OD2 2.86Å; Y281-I299 HydrophobicContact CD1-CG1 4.46Å; Y281-I299 HydrophobicContact CD2-CD1 4.2Å; Y281-I299 HydrophobicContact CD2-CG1 4.34Å; Y281-I299 HydrophobicContact CE1-CD1 4.39Å; Y281-I299 HydrophobicContact CE2-CD1 3.81Å; Y281-I299 HydrophobicContact CE2-CG1 4.4Å; Y281-I299 HydrophobicContact CG-CG1 4.4Å; Y281-L318 HydrophobicContact CD1-CB 3.79Å; Y281-L318 HydrophobicContact CG-CB 4.39Å; Y281-L318 HydrophobicContact CG-CD1 4.45Å; Y281-R319 WeakPolarHBondContact CD1-O 3.08Å; Y281-G321 WeakPolarHBondContact O-CA 3.35Å; Y281-G321 PolarHBondContact O-N 2.86Å; Y281-D322 PolarHBondContact N-O 2.98Å; Y281-Q342 PolarHBondContact OH-NE2 2.94Å; Y281-L370 WeakPolarHBondContact CD2-O 3.46Å; Y281-L370 HydrophobicContact CE2-CB 4.49Å; Y281-L370 HydrophobicContact CE2-CD2 3.63Å; Y281-F371 AromaticContact CD2-CD1 3.74Å; Y281-F371 HydrophobicContact CD2-CD1 3.74Å; Y281-F371 AromaticContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CE1 3.42Å; Y281-F371 VanDerWaalsContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CZ 4.1Å; Y281-F371 AromaticContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CZ 4.18Å; Y281-F371 HydrophobicContact CG-CE1 4.36Å
282F87.3Confident75.1Confident73 Ų7370.7 Ų70.732%0.3236%0.362SS..  trans-95.7-11-171.5-77.2-67.2000115.1V280 R363 L370V280-F282 HydrophobicContact CB-CE2 4.12Å; V280-F282 HydrophobicContact CB-CZ 4.04Å; V280-F282 HydrophobicContact CG1-CD1 4.36Å; V280-F282 HydrophobicContact CG1-CE1 4.03Å; V280-F282 HydrophobicContact CG1-CE2 4.44Å; V280-F282 HydrophobicContact CG1-CZ 4.07Å; F282-R363 VanDerWaalsContact CD1-NH2 3.33Å; F282-R363 HydrophobicContact CD2-CG 3.99Å; F282-R363 HydrophobicContact CE2-CG 3.65Å; F282-R363 HydrophobicContact CZ-CG 4.36Å; F282-L370 PolarHBondContact N-O 2.93Å
283G81Confident73.7Confident8 Ų874 Ų748%0.08239%0.389CS..  trans86.8177.4177.500000116E320 L370G283-E320 WeakPolarHBondContact CA-OE1 3.31Å; G283-L370 VanDerWaalsContact C-CD2 3.49Å; G283-L370 WeakPolarHBondContact O-CD2 3.45Å
284K71.6Confident72.6Confident77 Ų7776.7 Ų76.734%0.33540%0.404SS..  trans-82134.3-178.4-60.8-172-165.871.50110.3V286 D297 E320K284-V286 PolarHBondContact O-N 2.9Å; K284-V286 VanDerWaalsContact O-N 3.1Å; K284-D297 WeakPolarHBondContact CE-OD2 3.35Å; K284-D297 IonicContact NZ-OD1 2.66Å; K284-D297 PolarHBondContact NZ-OD1 3.36Å; K284-D297 IonicContact NZ-OD2 3.17Å; K284-D297 PolarHBondContact NZ-OD2 3.33Å; K284-E320 PolarHBondContact N-OE1 2.93Å
285L58.4Low71.7Confident141 Ų14171.3 Ų71.374%0.73839%0.39SS*.SBendtrans-62.6-18.3175.9-169.361.7000113.5N368L285-N368 HydrophobicContact CD2-CB 4.38Å
286V56.4Low71.2Confident95 Ų9576.4 Ų76.458%0.57641%0.409SS*.SBendtrans-133.2125177.4-171.20000109.8K284 L288K284-V286 PolarHBondContact O-N 2.9Å; K284-V286 VanDerWaalsContact O-N 3.1Å; V286-L288 HydrophobicContact CG1-CD2 3.85Å; V286-L288 HydrophobicContact CG1-CG 4.04Å
287H56.3Low71Confident120 Ų12073.5 Ų73.556%0.55640%0.395SS*.  trans-91.7131.9170-7957.9000109.9E320H287-E320 VanDerWaalsContact CE1-CD 3.42Å; H287-E320 IonicContact CE1-OE1 3.91Å; H287-E320 PolarHBondContact CE1-OE1 3.17Å; H287-E320 VanDerWaalsContact CE1-OE1 3.22Å; H287-E320 IonicContact CE1-OE2 2.75Å; H287-E320 PolarHBondContact CE1-OE2 3.38Å; H287-E320 IonicContact NE2-OE1 3.58Å; H287-E320 IonicContact NE2-OE2 3.03Å
288L57.2Low71Confident157 Ų15776.2 Ų76.282%0.82241%0.408SS*.  trans-126.1-0.9-176.9-66176.2000114.5V286V286-L288 HydrophobicContact CG1-CD2 3.85Å; V286-L288 HydrophobicContact CG1-CG 4.04Å
289S53.7Low71.1Confident75 Ų7575.6 Ų75.652%0.52440%0.404SS..  trans-168.5135.4168.447.10000113.5H291S289-H291 VanDerWaalsContact C-N 3.31Å; S289-H291 PolarHBondContact O-N 2.96Å
290D53.8Low71.2Confident153 Ų15379.2 Ų79.282%0.81842%0.419SS*.  trans-89.541.7178.8-67.8-44.6000113.4
291H54Low71.3Confident123 Ų12378 Ų7857%0.56941%0.412SS*.  trans-77.2127.1175.2-106.3-70.5000111S289 S293 V294S289-H291 VanDerWaalsContact C-N 3.31Å; S289-H291 PolarHBondContact O-N 2.96Å; H291-S293 PolarHBondContact O-N 3.35Å; H291-S293 VanDerWaalsContact O-N 3.08Å; H291-V294 HydrophobicContact CB-CB 4.26Å; H291-V294 HydrophobicContact CB-CG2 3.73Å; H291-V294 WeakPolarHBondContact O-CA 3.23Å; H291-V294 WeakPolarHBondContact O-CB 3.47Å; H291-V294 PolarHBondContact O-N 3.27Å
292P54.7Low71.3Confident101 Ų10179.1 Ų79.166%0.65642%0.418SS*.THydrogen-bonded Turntrans-65.4-20.1-171.922.8-33.4000114.8I295P292-I295 HydrophobicContact CB-CD1 4.34Å
293S53.1Low71.7Confident103 Ų10375.7 Ų75.772%0.7240%0.403SS*.THydrogen-bonded Turntrans-79.4-14171.738.30000114.2H291H291-S293 PolarHBondContact O-N 3.35Å; H291-S293 VanDerWaalsContact O-N 3.08Å
294V56Low72.2Confident68 Ų6877.6 Ų77.641%0.41241%0.41SS..THydrogen-bonded Turntrans-94.8-12.5-178.7-178.90000112.2H291 R296H291-V294 HydrophobicContact CB-CB 4.26Å; H291-V294 HydrophobicContact CB-CG2 3.73Å; H291-V294 WeakPolarHBondContact O-CA 3.23Å; H291-V294 WeakPolarHBondContact O-CB 3.47Å; H291-V294 PolarHBondContact O-N 3.27Å; V294-R296 PolarHBondContact O-N 3.01Å
295I66.8Low72.9Confident87 Ų8775.3 Ų75.345%0.44640%0.4SS..SBendtrans-62-7.6-178.2-55.1176.6000113.6P292P292-I295 HydrophobicContact CB-CD1 4.34Å
296R78.9Confident73.8Confident110 Ų11071.5 Ų71.542%0.41539%0.385SS..SBendtrans-126.4112.8173.7-69.5-177.6175.8-80.3-5.2111.5V294 K317 L318 R319 D322V294-R296 PolarHBondContact O-N 3.01Å; R296-K317 HydrophobicContact CB-CB 3.98Å; R296-K317 WeakPolarHBondContact CD-O 3.3Å; R296-K317 PolarHBondContact NH1-O 2.94Å; R296-L318 CarbonylContact C-O 3.52Å; R296-L318 VanDerWaalsContact CA-O 3.29Å; R296-L318 WeakPolarHBondContact CA-O 3.36Å; R296-R319 HydrophobicContact CG-CG 3.71Å; R296-D322 IonicContact NH1-OD2 2.73Å; R296-D322 PolarHBondContact NH1-OD2 3.43Å
297D87.9Confident74.6Confident8 Ų870.2 Ų70.24%0.04339%0.391CS..EExtended strand (participates in β ladder)trans-76.5141170.4-75-35.7000110.8Y281 K284 I299 K317 L318 Q342 N343Y281-D297 HydrophobicContact CE1-CB 4.44Å; Y281-D297 PolarHBondContact OH-OD2 2.86Å; K284-D297 WeakPolarHBondContact CE-OD2 3.35Å; K284-D297 IonicContact NZ-OD1 2.66Å; K284-D297 PolarHBondContact NZ-OD1 3.36Å; K284-D297 IonicContact NZ-OD2 3.17Å; K284-D297 PolarHBondContact NZ-OD2 3.33Å; D297-I299 HydrophobicContact CB-CD1 4.06Å; D297-I299 PolarHBondContact O-N 3.18Å; D297-K317 CarbonylContact O-C 3.5Å; D297-K317 VanDerWaalsContact O-CA 3.32Å; D297-K317 WeakPolarHBondContact O-CA 3.12Å; D297-L318 PolarHBondContact N-O 2.87Å; D297-L318 PolarHBondContact O-N 3.39Å; D297-Q342 HydrophobicContact CB-CG 4.01Å; D297-Q342 PolarHBondContact OD2-NE2 2.79Å; D297-N343 WeakPolarHBondContact CA-OD1 3.4Å; D297-N343 PolarHBondContact OD1-ND2 2.91Å
298E92Very high75.5Confident62 Ų6266.8 Ų66.829%0.2939%0.388SS..EExtended strand (participates in β ladder)trans-81.9104.5172.5-172.1165.1160.900110.1Q315 K317 N343E298-Q315 PolarHBondContact OE1-NE2 2.89Å; E298-K317 HydrophobicContact CB-CG 4.23Å; E298-K317 HydrophobicContact CG-CG 4.32Å; E298-K317 WeakPolarHBondContact OE2-CE 3.36Å; E298-K317 IonicContact OE2-NZ 2.75Å; E298-K317 PolarHBondContact OE2-NZ 2.96Å; E298-N343 PolarHBondContact N-OD1 2.97Å; E298-N343 PolarHBondContact O-N 3.13Å
299I94.2Very high76.8Confident0 Ų067 Ų670%038%0.384CS..EExtended strand (participates in β ladder)trans-93.8128.4178.9-57.5-48.2000109.3Y281 D297 V301 Y314 Q315 G316 L318 Y341 Q342 F371Y281-I299 HydrophobicContact CD1-CG1 4.46Å; Y281-I299 HydrophobicContact CD2-CD1 4.2Å; Y281-I299 HydrophobicContact CD2-CG1 4.34Å; Y281-I299 HydrophobicContact CE1-CD1 4.39Å; Y281-I299 HydrophobicContact CE2-CD1 3.81Å; Y281-I299 HydrophobicContact CE2-CG1 4.4Å; Y281-I299 HydrophobicContact CG-CG1 4.4Å; D297-I299 HydrophobicContact CB-CD1 4.06Å; D297-I299 PolarHBondContact O-N 3.18Å; I299-V301 HydrophobicContact CG2-CG2 4.32Å; I299-Y314 HydrophobicContact CB-CE1 4.28Å; I299-Y314 HydrophobicContact CG2-CD1 4.28Å; I299-Y314 HydrophobicContact CG2-CE1 4.32Å; I299-Q315 WeakPolarHBondContact O-CA 3.42Å; I299-G316 PolarHBondContact N-O 3.48Å; I299-G316 PolarHBondContact O-N 3.09Å; I299-L318 HydrophobicContact CB-CD1 4.09Å; I299-L318 HydrophobicContact CB-CG 4.43Å; I299-L318 HydrophobicContact CG1-CB 4.06Å; I299-L318 HydrophobicContact CG1-CD1 3.98Å; I299-L318 HydrophobicContact CG1-CG 4.22Å; I299-L318 HydrophobicContact CG2-CD1 4.38Å; I299-Y341 WeakPolarHBondContact CA-O 3.37Å; I299-Q342 HydrophobicContact CD1-CB 3.98Å; I299-Q342 HydrophobicContact CD1-CG 3.87Å; I299-F371 HydrophobicContact CD1-CE1 4.16Å; I299-F371 HydrophobicContact CD1-CZ 4.07Å; I299-F371 HydrophobicContact CG1-CE1 4.33Å; I299-F371 HydrophobicContact CG2-CE1 3.64Å; I299-F371 HydrophobicContact CG2-CZ 4.07Å
300K95Very high78.6Confident76 Ų7666.6 Ų66.633%0.3338%0.376SS..EExtended strand (participates in β ladder)trans-130.1128.9175.8-170.2179.6-171.2179.60109.9L302 Y314 Q315 Y341K300-L302 HydrophobicContact CG-CD2 4.31Å; K300-Y314 CarbonylContact C-O 3.52Å; K300-Y314 WeakPolarHBondContact CA-O 3.44Å; K300-Q315 HydrophobicContact CB-CG 4.26Å; K300-Q315 HydrophobicContact CD-CG 4.39Å; K300-Q315 VanDerWaalsContact CE-OE1 3.29Å; K300-Q315 HydrophobicContact CG-CB 4.19Å; K300-Q315 HydrophobicContact CG-CG 4.1Å; K300-Y341 PolarHBondContact N-O 2.97Å; K300-Y341 PolarHBondContact O-N 3.32Å
301V95.4Very high80.4Confident0 Ų061.2 Ų61.20%035%0.348CS..EExtended strand (participates in β ladder)trans-118.1121.9-179.2-171.40000109.4I299 V313 Y314 F324 F326 L338 F340I299-V301 HydrophobicContact CG2-CG2 4.32Å; V301-V313 HydrophobicContact CB-CG2 4.05Å; V301-V313 HydrophobicContact CG1-CG2 3.88Å; V301-V313 WeakPolarHBondContact O-CG2 3.43Å; V301-V313 PolarHBondContact O-N 3.11Å; V301-Y314 HydrophobicContact CG2-CD1 4.39Å; V301-Y314 PolarHBondContact N-O 3.43Å; V301-Y314 PolarHBondContact O-N 2.98Å; V301-F324 HydrophobicContact CG2-CE2 4.02Å; V301-F324 HydrophobicContact CG2-CZ 4.44Å; V301-F326 HydrophobicContact CG1-CZ 4.49Å; V301-L338 HydrophobicContact CG1-CB 4.32Å; V301-L338 HydrophobicContact CG1-CD2 4.23Å; V301-F340 HydrophobicContact CB-CD1 4.44Å; V301-F340 HydrophobicContact CB-CE1 4.45Å; V301-F340 HydrophobicContact CG1-CD1 4.04Å; V301-F340 HydrophobicContact CG1-CE1 3.74Å; V301-F340 HydrophobicContact CG1-CZ 4.16Å; V301-F340 HydrophobicContact CG2-CD1 3.63Å; V301-F340 HydrophobicContact CG2-CE1 3.79Å
302L94.6Very high82.2Confident25 Ų2558.6 Ų58.613%0.13134%0.342CS..EExtended strand (participates in β ladder)trans-106.8130.7178-59.4-169.4000110.3K300 N310 L311 C312 L338 T339 Y341K300-L302 HydrophobicContact CG-CD2 4.31Å; L302-N310 HydrophobicContact CB-CB 4.2Å; L302-N310 HydrophobicContact CD1-CB 4.17Å; L302-L311 CarbonylContact C-O 3.57Å; L302-L311 WeakPolarHBondContact CA-O 3.49Å; L302-C312 HydrophobicContact CD2-CB 3.88Å; L302-L338 CarbonylContact O-C 3.58Å; L302-L338 VanDerWaalsContact O-CA 3.31Å; L302-L338 WeakPolarHBondContact O-CA 3.19Å; L302-T339 PolarHBondContact N-O 3.37Å; L302-T339 PolarHBondContact O-N 2.98Å; L302-Y341 HydrophobicContact CB-CE2 4.48Å; L302-Y341 HydrophobicContact CD1-CD2 4.41Å; L302-Y341 HydrophobicContact CD1-CE2 3.63Å; L302-Y341 HydrophobicContact CG-CD2 4.26Å; L302-Y341 HydrophobicContact CG-CE2 3.87Å
303Q93.9Very high84.1Confident0 Ų055 Ų550%032%0.319CS..EExtended strand (participates in β ladder)trans-107.4116.7176.7-173.4174.145.800111.4H305 L311 V313 S328 F336 S337 L338Q303-H305 HydrophobicContact CG-CB 4.46Å; Q303-H305 PolarHBondContact O-N 3.35Å; Q303-L311 PolarHBondContact N-O 2.89Å; Q303-L311 PolarHBondContact O-N 2.93Å; Q303-V313 HydrophobicContact CB-CG1 3.63Å; Q303-V313 HydrophobicContact CB-CG2 4.12Å; Q303-S328 PolarHBondContact NE2-OG 3Å; Q303-F336 HydrophobicContact CG-CD2 4.04Å; Q303-S337 WeakPolarHBondContact CA-O 3.48Å; Q303-L338 HydrophobicContact CB-CD2 3.72Å; Q303-L338 HydrophobicContact CG-CD2 3.77Å
304Q92.9Very high86.1Confident48 Ų4852.2 Ų52.222%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-84.4105.2167.3-153.8-176.31.500108.2G307 G308 N310 F336 S337Q304-G307 PolarHBondContact NE2-O 2.98Å; Q304-G308 WeakPolarHBondContact CG-O 2.95Å; Q304-N310 WeakPolarHBondContact CB-OD1 3.43Å; Q304-F336 WeakPolarHBondContact O-CB 3.32Å; Q304-S337 VanDerWaalsContact CB-OG 3.24Å; Q304-S337 WeakPolarHBondContact CB-OG 3.49Å; Q304-S337 PolarHBondContact N-O 3.42Å; Q304-S337 PolarHBondContact O-N 2.9Å; Q304-S337 PolarHBondContact OE1-OG 3.15Å
305H85.4Confident88Confident30 Ų3053.9 Ų53.914%0.13930%0.296CS..  trans-95.3-22.7-164.369.1-62.1000115.1Q303 E309 L311 H331Q303-H305 HydrophobicContact CG-CB 4.46Å; Q303-H305 PolarHBondContact O-N 3.35Å; H305-E309 PolarHBondContact ND1-O 3.4Å; H305-L311 HydrophobicContact CB-CD1 4.25Å; H305-H331 AromaticContact CD2-CD2 3.56Å
306C78.5Confident89.2Confident61 Ų6150.6 Ų50.641%0.41228%0.283SS..SBendtrans-168.473.8170.954.40000112.2G308 H331C306-G308 PolarHBondContact O-N 3.48Å; C306-H331 PolarHBondContact SG-CD2 2.74Å
307G71.5Confident89.8Confident68 Ų6851 Ų5170%0.70129%0.288SS*.SBendtrans73-40.5171.300000116.9Q304Q304-G307 PolarHBondContact NE2-O 2.98Å
308G76Confident90Very high47 Ų4751.1 Ų51.149%0.48529%0.289SS..SBendtrans-85.7-139.717800000114.2Q304 C306Q304-G308 WeakPolarHBondContact CG-O 2.95Å; C306-G308 PolarHBondContact O-N 3.48Å
309E84.4Confident89.8Confident161 Ų16153.5 Ų53.575%0.75230%0.295SS*.  trans-56.5144.1-168-164.1-177.9-17800115.1H305H305-E309 PolarHBondContact ND1-O 3.4Å
310N90.9Very high89.5Confident67 Ų6757.4 Ų57.436%0.35831%0.313SS..EExtended strand (participates in β ladder)trans-80.9110176.7-76.9-42.5000111.3L302 Q304L302-N310 HydrophobicContact CB-CB 4.2Å; L302-N310 HydrophobicContact CD1-CB 4.17Å; Q304-N310 WeakPolarHBondContact CB-OD1 3.43Å
311L91.3Very high89.2Confident41 Ų4156.1 Ų56.122%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-77.9125.2176.1-60.5179.4000110.4L302 Q303 H305 V313 R329L302-L311 CarbonylContact C-O 3.57Å; L302-L311 WeakPolarHBondContact CA-O 3.49Å; Q303-L311 PolarHBondContact N-O 2.89Å; Q303-L311 PolarHBondContact O-N 2.93Å; H305-L311 HydrophobicContact CB-CD1 4.25Å; L311-V313 HydrophobicContact CB-CG1 4.48Å; L311-V313 PolarHBondContact O-N 2.83Å; L311-V313 VanDerWaalsContact O-N 3.12Å; L311-R329 HydrophobicContact CD1-CB 3.96Å
312C93.4Very high89Confident68 Ų6858.4 Ų58.446%0.45933%0.334SS..EExtended strand (participates in β ladder)trans-67.9110.5167-164.70000109.1L302L302-C312 HydrophobicContact CD2-CB 3.88Å
313V94Very high88.9Confident26 Ų2661.2 Ų61.216%0.15835%0.352CS..EExtended strand (participates in β ladder)trans-99.2-23.1179.8-67.80000112.5V301 Q303 L311 F326 L338V301-V313 HydrophobicContact CB-CG2 4.05Å; V301-V313 HydrophobicContact CG1-CG2 3.88Å; V301-V313 WeakPolarHBondContact O-CG2 3.43Å; V301-V313 PolarHBondContact O-N 3.11Å; Q303-V313 HydrophobicContact CB-CG1 3.63Å; Q303-V313 HydrophobicContact CB-CG2 4.12Å; L311-V313 HydrophobicContact CB-CG1 4.48Å; L311-V313 PolarHBondContact O-N 2.83Å; L311-V313 VanDerWaalsContact O-N 3.12Å; V313-F326 HydrophobicContact CB-CB 4.27Å; V313-F326 HydrophobicContact CB-CD2 3.91Å; V313-F326 HydrophobicContact CB-CG 4.29Å; V313-F326 HydrophobicContact CG2-CD2 3.66Å; V313-F326 HydrophobicContact CG2-CE2 4.01Å; V313-F326 HydrophobicContact CG2-CG 4.09Å; V313-F326 VanDerWaalsContact O-CB 3.24Å; V313-F326 WeakPolarHBondContact O-CB 3.5Å; V313-L338 HydrophobicContact CG2-CD2 4.45Å
314Y95.4Very high88.9Confident43 Ų4361.6 Ų61.617%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-145.8139.7172.6-175.6-95.8000110.9I299 K300 V301 L318 F324I299-Y314 HydrophobicContact CB-CE1 4.28Å; I299-Y314 HydrophobicContact CG2-CD1 4.28Å; I299-Y314 HydrophobicContact CG2-CE1 4.32Å; K300-Y314 CarbonylContact C-O 3.52Å; K300-Y314 WeakPolarHBondContact CA-O 3.44Å; V301-Y314 HydrophobicContact CG2-CD1 4.39Å; V301-Y314 PolarHBondContact N-O 3.43Å; V301-Y314 PolarHBondContact O-N 2.98Å; Y314-L318 HydrophobicContact CE1-CD1 4.04Å; Y314-L318 HydrophobicContact CE1-CG 4.35Å; Y314-L318 VanDerWaalsContact OH-CD2 3.25Å; Y314-L318 WeakPolarHBondContact OH-CD2 3.1Å; Y314-F324 AromaticContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CE2 4.09Å; Y314-F324 AromaticContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CE1-CB 4.47Å; Y314-F324 AromaticContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CG 4.36Å; Y314-F324 HydrophobicContact CE2-CB 3.92Å; Y314-F324 AromaticContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CG 4.39Å; Y314-F324 AromaticContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CE2 4.18Å
315Q95.4Very high89Confident103 Ų10364 Ų6448%0.48137%0.365SS..EExtended strand (participates in β ladder)trans-147.2126.8162.9-171.5170.1-12.900108.7E298 I299 K300E298-Q315 PolarHBondContact OE1-NE2 2.89Å; I299-Q315 WeakPolarHBondContact O-CA 3.42Å; K300-Q315 HydrophobicContact CB-CG 4.26Å; K300-Q315 HydrophobicContact CD-CG 4.39Å; K300-Q315 VanDerWaalsContact CE-OE1 3.29Å; K300-Q315 HydrophobicContact CG-CB 4.19Å; K300-Q315 HydrophobicContact CG-CG 4.1Å
316G92.6Very high89.4Confident18 Ų1863 Ų6319%0.18636%0.36CS..EExtended strand (participates in β ladder)trans-177.1163.8-17800000113.4I299I299-G316 PolarHBondContact N-O 3.48Å; I299-G316 PolarHBondContact O-N 3.09Å
317K92.1Very high90.1Very high119 Ų11964.7 Ų64.752%0.51737%0.365SS..EExtended strand (participates in β ladder)trans-100.3102.4-175.7-61.6-154.9178.1-1460111.8R296 D297 E298R296-K317 HydrophobicContact CB-CB 3.98Å; R296-K317 WeakPolarHBondContact CD-O 3.3Å; R296-K317 PolarHBondContact NH1-O 2.94Å; D297-K317 CarbonylContact O-C 3.5Å; D297-K317 VanDerWaalsContact O-CA 3.32Å; D297-K317 WeakPolarHBondContact O-CA 3.12Å; E298-K317 HydrophobicContact CB-CG 4.23Å; E298-K317 HydrophobicContact CG-CG 4.32Å; E298-K317 WeakPolarHBondContact OE2-CE 3.36Å; E298-K317 IonicContact OE2-NZ 2.75Å; E298-K317 PolarHBondContact OE2-NZ 2.96Å
318L91.3Very high91Very high11 Ų1161.5 Ų61.56%0.05833%0.331CS..EExtended strand (participates in β ladder)trans-103.9149.4-170.7-64.2-177.3000112.5Y281 R296 D297 I299 Y314 D322 F324Y281-L318 HydrophobicContact CD1-CB 3.79Å; Y281-L318 HydrophobicContact CG-CB 4.39Å; Y281-L318 HydrophobicContact CG-CD1 4.45Å; R296-L318 CarbonylContact C-O 3.52Å; R296-L318 VanDerWaalsContact CA-O 3.29Å; R296-L318 WeakPolarHBondContact CA-O 3.36Å; D297-L318 PolarHBondContact N-O 2.87Å; D297-L318 PolarHBondContact O-N 3.39Å; I299-L318 HydrophobicContact CB-CD1 4.09Å; I299-L318 HydrophobicContact CB-CG 4.43Å; I299-L318 HydrophobicContact CG1-CB 4.06Å; I299-L318 HydrophobicContact CG1-CD1 3.98Å; I299-L318 HydrophobicContact CG1-CG 4.22Å; I299-L318 HydrophobicContact CG2-CD1 4.38Å; Y314-L318 HydrophobicContact CE1-CD1 4.04Å; Y314-L318 HydrophobicContact CE1-CG 4.35Å; Y314-L318 VanDerWaalsContact OH-CD2 3.25Å; Y314-L318 WeakPolarHBondContact OH-CD2 3.1Å; L318-D322 WeakPolarHBondContact CA-OD2 3.43Å; L318-D322 HydrophobicContact CB-CB 4.22Å; L318-D322 HydrophobicContact CD2-CB 3.91Å; L318-F324 HydrophobicContact CD1-CB 3.8Å; L318-F324 HydrophobicContact CD1-CD1 3.41Å; L318-F324 VanDerWaalsContact CD1-CD1 3.41Å; L318-F324 HydrophobicContact CD1-CD2 4.43Å; L318-F324 HydrophobicContact CD1-CE1 4.03Å; L318-F324 HydrophobicContact CD1-CG 3.64Å; L318-F324 HydrophobicContact CD2-CB 4.23Å
319R87.8Confident91.6Very high112 Ų11265 Ų6542%0.42333%0.33SS..PPolyproline II helixtrans-96.7160167-61.5-170.7157.3178.1-9.5110.5Y281 R296 G321 D322Y281-R319 WeakPolarHBondContact CD1-O 3.08Å; R296-R319 HydrophobicContact CG-CG 3.71Å; R319-G321 PolarHBondContact O-N 3.2Å; R319-D322 PolarHBondContact N-OD2 3.36Å; R319-D322 WeakPolarHBondContact O-CB 3.24Å; R319-D322 PolarHBondContact O-N 3.47Å
320E88.5Confident91.7Very high81 Ų8157.9 Ų57.938%0.37930%0.296SS..THydrogen-bonded Turntrans-59.9130.9171.9-41.7-159.1148.500110.4G283 K284 H287 D322G283-E320 WeakPolarHBondContact CA-OE1 3.31Å; K284-E320 PolarHBondContact N-OE1 2.93Å; H287-E320 VanDerWaalsContact CE1-CD 3.42Å; H287-E320 IonicContact CE1-OE1 3.91Å; H287-E320 PolarHBondContact CE1-OE1 3.17Å; H287-E320 VanDerWaalsContact CE1-OE1 3.22Å; H287-E320 IonicContact CE1-OE2 2.75Å; H287-E320 PolarHBondContact CE1-OE2 3.38Å; H287-E320 IonicContact NE2-OE1 3.58Å; H287-E320 IonicContact NE2-OE2 3.03Å; E320-D322 VanDerWaalsContact C-N 3.33Å
321G86.9Confident91.5Very high49 Ų4955.7 Ų55.751%0.50528%0.284SS..THydrogen-bonded Turntrans85.3-10.7-170.900000115.3Y281 R319 V323Y281-G321 WeakPolarHBondContact O-CA 3.35Å; Y281-G321 PolarHBondContact O-N 2.86Å; R319-G321 PolarHBondContact O-N 3.2Å; G321-V323 PolarHBondContact O-N 3.3Å
322D92Very high91.1Very high49 Ų4960.7 Ų60.726%0.26230%0.3SS..  trans-63.2135.3177.6-80.6-9.7000110.7Y281 R296 L318 R319 E320Y281-D322 PolarHBondContact N-O 2.98Å; R296-D322 IonicContact NH1-OD2 2.73Å; R296-D322 PolarHBondContact NH1-OD2 3.43Å; L318-D322 WeakPolarHBondContact CA-OD2 3.43Å; L318-D322 HydrophobicContact CB-CB 4.22Å; L318-D322 HydrophobicContact CD2-CB 3.91Å; R319-D322 PolarHBondContact N-OD2 3.36Å; R319-D322 WeakPolarHBondContact O-CB 3.24Å; R319-D322 PolarHBondContact O-N 3.47Å; E320-D322 VanDerWaalsContact C-N 3.33Å
323V93.3Very high90.4Very high84 Ų8460.8 Ų60.851%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-96.4125.7173.1-175.90000109T278 M279 V280 G321T278-V323 HydrophobicContact CG2-CG1 3.47Å; T278-V323 VanDerWaalsContact CG2-CG1 3.47Å; M279-V323 CarbonylContact O-C 3.56Å; M279-V323 WeakPolarHBondContact O-CA 3.33Å; V280-V323 HydrophobicContact CG2-CG2 4.35Å; G321-V323 PolarHBondContact O-N 3.3Å
324F94.4Very high90Very high7 Ų765.7 Ų65.73%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-123.5161.2179.772.4-80.4000111.9M279 V301 Y314 L318 F326 F371M279-F324 HydrophobicContact CB-CD1 4.14Å; M279-F324 HydrophobicContact CB-CE1 3.61Å; M279-F324 HydrophobicContact CB-CE2 4.16Å; M279-F324 HydrophobicContact CB-CZ 3.63Å; M279-F324 HydrophobicContact CE-CZ 4.14Å; M279-F324 HydrophobicContact CG-CZ 4.48Å; M279-F324 PolarHBondContact N-O 2.9Å; M279-F324 WeakPolarHBondContact O-CD1 3.4Å; M279-F324 PolarHBondContact O-N 2.91Å; M279-F324 HydrophobicContact SD-CZ 4.29Å; V301-F324 HydrophobicContact CG2-CE2 4.02Å; V301-F324 HydrophobicContact CG2-CZ 4.44Å; Y314-F324 AromaticContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CE2 4.09Å; Y314-F324 AromaticContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CE1-CB 4.47Å; Y314-F324 AromaticContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CG 4.36Å; Y314-F324 HydrophobicContact CE2-CB 3.92Å; Y314-F324 AromaticContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CG 4.39Å; Y314-F324 AromaticContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CE2 4.18Å; L318-F324 HydrophobicContact CD1-CB 3.8Å; L318-F324 HydrophobicContact CD1-CD1 3.41Å; L318-F324 VanDerWaalsContact CD1-CD1 3.41Å; L318-F324 HydrophobicContact CD1-CD2 4.43Å; L318-F324 HydrophobicContact CD1-CE1 4.03Å; L318-F324 HydrophobicContact CD1-CG 3.64Å; L318-F324 HydrophobicContact CD2-CB 4.23Å; F324-F326 HydrophobicContact CD2-CD1 4.26Å; F324-F326 HydrophobicContact CE2-CD1 4.01Å; F324-F326 AromaticContact CE2-CE1 3.98Å; F324-F326 HydrophobicContact CE2-CE1 3.98Å; F324-F371 HydrophobicContact CE1-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CE1 4.48Å
325Q94.8Very high89.7Confident99 Ų9968.1 Ų68.146%0.46335%0.35SS..EExtended strand (participates in β ladder)trans-139.1146-173.7-60-174.411.500111.4V277 T278V277-Q325 VanDerWaalsContact O-CA 3.31Å; V277-Q325 WeakPolarHBondContact O-CA 2.75Å; T278-Q325 HydrophobicContact CG2-CG 3.94Å
326F94Very high89.5Confident10 Ų1063.9 Ų63.94%0.04433%0.33CS..EExtended strand (participates in β ladder)trans-148.2162.9170.858.2-90000112V277 M279 V301 V313 F324 L338V277-F326 HydrophobicContact CB-CD2 4.32Å; V277-F326 HydrophobicContact CB-CE1 4.36Å; V277-F326 HydrophobicContact CB-CE2 3.89Å; V277-F326 HydrophobicContact CB-CZ 3.91Å; V277-F326 HydrophobicContact CG1-CE1 4.28Å; V277-F326 HydrophobicContact CG1-CE2 4.27Å; V277-F326 HydrophobicContact CG1-CZ 3.82Å; V277-F326 HydrophobicContact CG2-CE2 4.14Å; V277-F326 PolarHBondContact N-O 3.37Å; V277-F326 PolarHBondContact O-N 2.86Å; M279-F326 HydrophobicContact CG-CE1 4.29Å; M279-F326 HydrophobicContact SD-CE1 3.6Å; M279-F326 VanDerWaalsContact SD-CE1 3.6Å; M279-F326 HydrophobicContact SD-CZ 3.83Å; V301-F326 HydrophobicContact CG1-CZ 4.49Å; V313-F326 HydrophobicContact CB-CB 4.27Å; V313-F326 HydrophobicContact CB-CD2 3.91Å; V313-F326 HydrophobicContact CB-CG 4.29Å; V313-F326 HydrophobicContact CG2-CD2 3.66Å; V313-F326 HydrophobicContact CG2-CE2 4.01Å; V313-F326 HydrophobicContact CG2-CG 4.09Å; V313-F326 VanDerWaalsContact O-CB 3.24Å; V313-F326 WeakPolarHBondContact O-CB 3.5Å; F324-F326 HydrophobicContact CD2-CD1 4.26Å; F324-F326 HydrophobicContact CE2-CD1 4.01Å; F324-F326 AromaticContact CE2-CE1 3.98Å; F324-F326 HydrophobicContact CE2-CE1 3.98Å; F326-L338 HydrophobicContact CE2-CD1 4.28Å; F326-L338 HydrophobicContact CE2-CD2 4.22Å; F326-L338 HydrophobicContact CZ-CD1 3.93Å; F326-L338 HydrophobicContact CZ-CD2 4.5Å
327L92.2Very high89.5Confident96 Ų9663.3 Ų63.350%0.50332%0.323SS..EExtended strand (participates in β ladder)trans-97.2116.6176.4-61.6179.8000110.1V275 Q276 R329V275-L327 CarbonylContact O-C 3.58Å; V275-L327 WeakPolarHBondContact O-CA 3.39Å; Q276-L327 HydrophobicContact CB-CD2 3.82Å; Q276-L327 HydrophobicContact CG-CD2 4.07Å; L327-R329 PolarHBondContact O-N 3.28Å
328S90.7Very high89.5Confident0 Ų057.9 Ų57.90%030%0.3CS..  trans-62.7126.4169-178.50000110.3S273 R274 V275 Q303 R330 E355S273-S328 PolarHBondContact OG-O 2.8Å; S273-S328 PolarHBondContact OG-OG 3Å; R274-S328 WeakPolarHBondContact CA-O 3.44Å; R274-S328 PolarHBondContact N-O 2.84Å; R274-S328 VanDerWaalsContact N-O 3.07Å; V275-S328 PolarHBondContact O-N 2.92Å; Q303-S328 PolarHBondContact NE2-OG 3Å; S328-R330 WeakPolarHBondContact OG-CB 3.26Å; S328-E355 WeakPolarHBondContact CB-OE1 3.34Å; S328-E355 PolarHBondContact OG-OE1 3.08Å
329R87.6Confident89.7Confident121 Ų12157.5 Ų57.546%0.45730%0.298SS..  trans-107.511.1177.5-59.5-159.763-167.4-6.8113.1Q272 L311 L327Q272-R329 VanDerWaalsContact CD-O 3.27Å; Q272-R329 WeakPolarHBondContact CG-O 3.43Å; Q272-R329 PolarHBondContact NE2-O 3.09Å; L311-R329 HydrophobicContact CD1-CB 3.96Å; L327-R329 PolarHBondContact O-N 3.28Å
330R87.4Confident90Very high11 Ų1152.2 Ų52.24%0.04228%0.278CS..  trans-44.6142.4172.5174.1-167.9173.9-131.1-11.2112.4Q272 S273 S328 Y334 F336 C353 E355Q272-R330 CarbonylContact C-O 3.5Å; Q272-R330 VanDerWaalsContact CA-O 3.29Å; Q272-R330 WeakPolarHBondContact CA-O 3.28Å; S273-R330 PolarHBondContact N-O 3.04Å; S328-R330 WeakPolarHBondContact OG-CB 3.26Å; R330-Y334 VanDerWaalsContact CZ-O 3.24Å; R330-Y334 PolarHBondContact NE-O 3.4Å; R330-Y334 PolarHBondContact NH2-O 2.79Å; R330-F336 HydrophobicContact CB-CB 4.4Å; R330-F336 HydrophobicContact CB-CG 4.36Å; R330-F336 VanDerWaalsContact CD-CD1 3.48Å; R330-F336 HydrophobicContact CG-CB 4Å; R330-F336 HydrophobicContact CG-CD1 4.18Å; R330-F336 HydrophobicContact CG-CG 4.13Å; R330-C353 PolarHBondContact NH2-O 2.89Å; R330-E355 WeakPolarHBondContact CD-OE1 3.38Å; R330-E355 WeakPolarHBondContact CD-OE2 3.25Å; R330-E355 IonicContact CZ-OE2 3.92Å; R330-E355 IonicContact NE-OE2 2.64Å; R330-E355 IonicContact NH1-OE2 2.66Å; R330-E355 PolarHBondContact NH1-OE2 3.15Å
331H86.9Confident90.2Very high22 Ų2251.1 Ų51.110%0.10227%0.271CS..BIsolated β-bridgetrans-78.2127.4168.1-70.7-72000112.4I270 H305 C306 G333 Y334I270-H331 WeakPolarHBondContact CA-CE1 3.48Å; I270-H331 WeakPolarHBondContact CB-CE1 3.28Å; I270-H331 WeakPolarHBondContact CB-ND1 3.49Å; I270-H331 HydrophobicContact CG2-CB 3.75Å; I270-H331 WeakPolarHBondContact CG2-CE1 3.48Å; I270-H331 WeakPolarHBondContact CG2-ND1 3.5Å; I270-H331 PolarHBondContact O-CE1 3.03Å; I270-H331 PolarHBondContact O-ND1 2.95Å; I270-H331 PolarHBondContact O-NE2 2.88Å; H305-H331 AromaticContact CD2-CD2 3.56Å; C306-H331 PolarHBondContact SG-CD2 2.74Å; H331-G333 PolarHBondContact O-N 3.27Å; H331-Y334 HydrophobicContact CB-CD2 3.98Å; H331-Y334 PolarHBondContact O-N 2.86Å
332R81.6Confident90.4Very high146 Ų14649.7 Ų49.755%0.55125%0.251SS*.THydrogen-bonded Turntrans-56.1136175.8-70.7175.7-173.1-156.8-5.5110.4H271H271-R332 WeakPolarHBondContact O-CB 3.48Å; H271-R332 VanDerWaalsContact O-CG 3.27Å; H271-R332 WeakPolarHBondContact O-CG 3.36Å; H271-R332 PolarHBondContact O-N 3.49Å
333G79.9Confident90.3Very high70 Ų7051.6 Ų51.672%0.72226%0.261SS*.THydrogen-bonded Turntrans94.5-36-176.700000114.4H331H331-G333 PolarHBondContact O-N 3.27Å
334Y85.9Confident89.9Confident128 Ų12850.5 Ų50.550%0.50227%0.267SS..SBendtrans-90.3147.7-173.7-63.6-88000112.5I270 R330 H331I270-Y334 HydrophobicContact CG2-CE2 4.42Å; R330-Y334 VanDerWaalsContact CZ-O 3.24Å; R330-Y334 PolarHBondContact NE-O 3.4Å; R330-Y334 PolarHBondContact NH2-O 2.79Å; H331-Y334 HydrophobicContact CB-CD2 3.98Å; H331-Y334 PolarHBondContact O-N 2.86Å
335P88.6Confident89.7Confident94 Ų9456.4 Ų56.461%0.6130%0.298SS*.  trans-67.916116931.5-35.3000110.7
336F91.2Very high89.5Confident14 Ų1456.6 Ų56.66%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-143.6167178.379.2-69.3000111.4Q303 Q304 R330 L338 S352 E355Q303-F336 HydrophobicContact CG-CD2 4.04Å; Q304-F336 WeakPolarHBondContact O-CB 3.32Å; R330-F336 HydrophobicContact CB-CB 4.4Å; R330-F336 HydrophobicContact CB-CG 4.36Å; R330-F336 VanDerWaalsContact CD-CD1 3.48Å; R330-F336 HydrophobicContact CG-CB 4Å; R330-F336 HydrophobicContact CG-CD1 4.18Å; R330-F336 HydrophobicContact CG-CG 4.13Å; F336-L338 HydrophobicContact CD2-CD2 4.33Å; F336-L338 HydrophobicContact CD2-CG 4.25Å; F336-L338 HydrophobicContact CE2-CD1 4.05Å; F336-L338 HydrophobicContact CE2-CD2 4.01Å; F336-L338 HydrophobicContact CE2-CG 3.73Å; F336-S352 VanDerWaalsContact CD1-O 3.31Å; F336-S352 WeakPolarHBondContact CD1-O 3.33Å; F336-S352 WeakPolarHBondContact CE1-OG 3.31Å; F336-S352 WeakPolarHBondContact CZ-OG 3.4Å; F336-S352 PolarHBondContact N-O 2.97Å; F336-S352 PolarHBondContact O-N 3.48Å; F336-E355 HydrophobicContact CE1-CG 4.28Å; F336-E355 HydrophobicContact CZ-CG 3.98Å
337S92.3Very high89.3Confident7 Ų758.3 Ų58.35%0.04931%0.313CS..EExtended strand (participates in β ladder)trans-130.5155.9170.557.20000112.3Q303 Q304 R349 L350Q303-S337 WeakPolarHBondContact CA-O 3.48Å; Q304-S337 VanDerWaalsContact CB-OG 3.24Å; Q304-S337 WeakPolarHBondContact CB-OG 3.49Å; Q304-S337 PolarHBondContact N-O 3.42Å; Q304-S337 PolarHBondContact O-N 2.9Å; Q304-S337 PolarHBondContact OE1-OG 3.15Å; S337-R349 VanDerWaalsContact OG-CZ 3.29Å; S337-R349 PolarHBondContact OG-NH1 3.48Å; S337-R349 PolarHBondContact OG-NH2 3.5Å; S337-R349 VanDerWaalsContact OG-NH2 3.17Å; S337-L350 CarbonylContact C-O 3.5Å; S337-L350 WeakPolarHBondContact CA-O 3.46Å; S337-L350 WeakPolarHBondContact CB-O 3.45Å
338L93.3Very high89.2Confident4 Ų456.8 Ų56.82%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-122.7122.7169.8-61.5172.9000107.8V301 L302 Q303 V313 F326 F336 F340 R349 L350V301-L338 HydrophobicContact CG1-CB 4.32Å; V301-L338 HydrophobicContact CG1-CD2 4.23Å; L302-L338 CarbonylContact O-C 3.58Å; L302-L338 VanDerWaalsContact O-CA 3.31Å; L302-L338 WeakPolarHBondContact O-CA 3.19Å; Q303-L338 HydrophobicContact CB-CD2 3.72Å; Q303-L338 HydrophobicContact CG-CD2 3.77Å; V313-L338 HydrophobicContact CG2-CD2 4.45Å; F326-L338 HydrophobicContact CE2-CD1 4.28Å; F326-L338 HydrophobicContact CE2-CD2 4.22Å; F326-L338 HydrophobicContact CZ-CD1 3.93Å; F326-L338 HydrophobicContact CZ-CD2 4.5Å; F336-L338 HydrophobicContact CD2-CD2 4.33Å; F336-L338 HydrophobicContact CD2-CG 4.25Å; F336-L338 HydrophobicContact CE2-CD1 4.05Å; F336-L338 HydrophobicContact CE2-CD2 4.01Å; F336-L338 HydrophobicContact CE2-CG 3.73Å; L338-F340 HydrophobicContact CB-CD2 4.46Å; L338-F340 HydrophobicContact CB-CE2 3.6Å; L338-F340 HydrophobicContact CB-CZ 3.82Å; L338-F340 HydrophobicContact CD1-CE2 4.47Å; L338-F340 HydrophobicContact CD1-CZ 3.97Å; L338-R349 CarbonylContact O-C 3.49Å; L338-R349 WeakPolarHBondContact O-CA 3.39Å; L338-L350 HydrophobicContact CB-CB 4.46Å; L338-L350 PolarHBondContact N-O 3.08Å; L338-L350 PolarHBondContact O-N 3.41Å
339T94.3Very high89.2Confident4 Ų462 Ų623%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-102.8126.9170.3-520000108.7L302 Y341 L346 R349L302-T339 PolarHBondContact N-O 3.37Å; L302-T339 PolarHBondContact O-N 2.98Å; T339-Y341 HydrophobicContact CG2-CD2 4.14Å; T339-Y341 HydrophobicContact CG2-CE2 3.42Å; T339-Y341 VanDerWaalsContact CG2-CE2 3.42Å; T339-L346 HydrophobicContact CG2-CD1 3.5Å; T339-L346 HydrophobicContact CG2-CD2 4.49Å; T339-L346 HydrophobicContact CG2-CG 3.68Å; T339-R349 PolarHBondContact OG1-NH1 3.11Å
340F94.2Very high89.3Confident0 Ų057.4 Ų57.40%031%0.307CS..EExtended strand (participates in β ladder)trans-102.5130.4-179-62.2-93.6000110M279 V301 L338 V347 E348 L350 F371M279-F340 HydrophobicContact CE-CD1 4.4Å; M279-F340 HydrophobicContact CE-CE1 3.4Å; M279-F340 HydrophobicContact CE-CZ 3.64Å; M279-F340 HydrophobicContact SD-CE1 3.88Å; M279-F340 HydrophobicContact SD-CZ 4Å; V301-F340 HydrophobicContact CB-CD1 4.44Å; V301-F340 HydrophobicContact CB-CE1 4.45Å; V301-F340 HydrophobicContact CG1-CD1 4.04Å; V301-F340 HydrophobicContact CG1-CE1 3.74Å; V301-F340 HydrophobicContact CG1-CZ 4.16Å; V301-F340 HydrophobicContact CG2-CD1 3.63Å; V301-F340 HydrophobicContact CG2-CE1 3.79Å; L338-F340 HydrophobicContact CB-CD2 4.46Å; L338-F340 HydrophobicContact CB-CE2 3.6Å; L338-F340 HydrophobicContact CB-CZ 3.82Å; L338-F340 HydrophobicContact CD1-CE2 4.47Å; L338-F340 HydrophobicContact CD1-CZ 3.97Å; F340-V347 PolarHBondContact O-N 3.5Å; F340-E348 PolarHBondContact N-O 3.01Å; F340-L350 HydrophobicContact CE2-CB 4.38Å; F340-L350 HydrophobicContact CE2-CD1 3.81Å; F340-L350 HydrophobicContact CE2-CG 3.92Å; F340-L350 HydrophobicContact CZ-CD1 4.15Å; F340-F371 HydrophobicContact CB-CD2 3.96Å; F340-F371 HydrophobicContact CB-CE2 3.53Å; F340-F371 HydrophobicContact CB-CZ 4.03Å; F340-F371 HydrophobicContact CD1-CD1 4.16Å; F340-F371 AromaticContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CE1 4.29Å; F340-F371 HydrophobicContact CD1-CE2 4.12Å; F340-F371 HydrophobicContact CD1-CG 4Å; F340-F371 HydrophobicContact CD1-CZ 4.27Å; F340-F371 HydrophobicContact CE1-CG 4.49Å; F340-F371 AromaticContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CE2 4.03Å; F340-F371 HydrophobicContact CG-CG 4.45Å
341Y93.3Very high89.4Confident58 Ų5861.3 Ų61.323%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-119.8143.6175.3-63-101.1000110.8I299 K300 L302 T339 G344 L345 L346I299-Y341 WeakPolarHBondContact CA-O 3.37Å; K300-Y341 PolarHBondContact N-O 2.97Å; K300-Y341 PolarHBondContact O-N 3.32Å; L302-Y341 HydrophobicContact CB-CE2 4.48Å; L302-Y341 HydrophobicContact CD1-CD2 4.41Å; L302-Y341 HydrophobicContact CD1-CE2 3.63Å; L302-Y341 HydrophobicContact CG-CD2 4.26Å; L302-Y341 HydrophobicContact CG-CE2 3.87Å; T339-Y341 HydrophobicContact CG2-CD2 4.14Å; T339-Y341 HydrophobicContact CG2-CE2 3.42Å; T339-Y341 VanDerWaalsContact CG2-CE2 3.42Å; Y341-G344 WeakPolarHBondContact CD1-O 3.19Å; Y341-L345 CarbonylContact C-O 3.55Å; Y341-L345 WeakPolarHBondContact CA-O 3.26Å; Y341-L345 WeakPolarHBondContact CB-O 3.2Å; Y341-L346 HydrophobicContact CD1-CB 4.02Å; Y341-L346 HydrophobicContact CE1-CB 3.76Å; Y341-L346 HydrophobicContact CE1-CD1 4.32Å; Y341-L346 HydrophobicContact CE1-CG 4.27Å
342Q91.3Very high89.5Confident19 Ų1960.7 Ų60.79%0.08933%0.334CS..EExtended strand (participates in β ladder)trans-128.9117.7176.7-179.2-174.210.600107.8Y281 D297 I299 G344 L345 V347Y281-Q342 PolarHBondContact OH-NE2 2.94Å; D297-Q342 HydrophobicContact CB-CG 4.01Å; D297-Q342 PolarHBondContact OD2-NE2 2.79Å; I299-Q342 HydrophobicContact CD1-CB 3.98Å; I299-Q342 HydrophobicContact CD1-CG 3.87Å; Q342-G344 PolarHBondContact O-N 2.92Å; Q342-G344 VanDerWaalsContact O-N 3.09Å; Q342-L345 PolarHBondContact N-O 3.42Å; Q342-L345 PolarHBondContact O-N 3.34Å; Q342-V347 HydrophobicContact CB-CG2 3.48Å; Q342-V347 VanDerWaalsContact CB-CG2 3.48Å
343N88.9Confident89.8Confident89 Ų8955.2 Ų55.248%0.47632%0.319SS..THydrogen-bonded Turntrans52.330.1-175.2-56.3-28.9000113.9D297 E298D297-N343 WeakPolarHBondContact CA-OD1 3.4Å; D297-N343 PolarHBondContact OD1-ND2 2.91Å; E298-N343 PolarHBondContact N-OD1 2.97Å; E298-N343 PolarHBondContact O-N 3.13Å
344G85.9Confident90.2Very high62 Ų6251.9 Ų51.964%0.63928%0.284SS*.THydrogen-bonded Turntrans89.6-15.5-177.500000115.5Y341 Q342Y341-G344 WeakPolarHBondContact CD1-O 3.19Å; Q342-G344 PolarHBondContact O-N 2.92Å; Q342-G344 VanDerWaalsContact O-N 3.09Å
345L88.6Confident90.3Very high131 Ų13146 Ų4669%0.68626%0.261SS*.EExtended strand (participates in β ladder)trans-77.4137.5173.4-59.7176.9000110.4Y341 Q342 V347Y341-L345 CarbonylContact C-O 3.55Å; Y341-L345 WeakPolarHBondContact CA-O 3.26Å; Y341-L345 WeakPolarHBondContact CB-O 3.2Å; Q342-L345 PolarHBondContact N-O 3.42Å; Q342-L345 PolarHBondContact O-N 3.34Å; L345-V347 PolarHBondContact O-N 2.82Å
346L91.1Very high90.2Very high102 Ų10246.4 Ų46.453%0.53425%0.251SS..EExtended strand (participates in β ladder)trans-73.4123.4170.9-173.5157.2000108.6T339 Y341T339-L346 HydrophobicContact CG2-CD1 3.5Å; T339-L346 HydrophobicContact CG2-CD2 4.49Å; T339-L346 HydrophobicContact CG2-CG 3.68Å; Y341-L346 HydrophobicContact CD1-CB 4.02Å; Y341-L346 HydrophobicContact CE1-CB 3.76Å; Y341-L346 HydrophobicContact CE1-CD1 4.32Å; Y341-L346 HydrophobicContact CE1-CG 4.27Å
347V89.3Confident90Very high46 Ų4652.1 Ų52.128%0.27928%0.276SS..EExtended strand (participates in β ladder)trans-98.4-50.5-178.5175.90000111.5F340 Q342 L345 L370 F371F340-V347 PolarHBondContact O-N 3.5Å; Q342-V347 HydrophobicContact CB-CG2 3.48Å; Q342-V347 VanDerWaalsContact CB-CG2 3.48Å; L345-V347 PolarHBondContact O-N 2.82Å; V347-L370 HydrophobicContact CG1-CB 4.15Å; V347-L370 HydrophobicContact CG1-CD1 3.46Å; V347-L370 VanDerWaalsContact CG1-CD1 3.46Å; V347-L370 HydrophobicContact CG1-CG 4.41Å; V347-F371 HydrophobicContact CB-CE2 4.27Å; V347-F371 HydrophobicContact CG1-CE2 4.06Å
348E90.4Very high89.4Confident64 Ų6453.2 Ų53.230%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-158.6151.9-167.7-177.452.9-86.900110.5F340 I364 G365F340-E348 PolarHBondContact N-O 3.01Å; E348-I364 HydrophobicContact CB-CG2 4.42Å; E348-I364 HydrophobicContact CG-CG2 3.48Å; E348-I364 VanDerWaalsContact CG-CG2 3.48Å; E348-G365 WeakPolarHBondContact OE2-CA 3.45Å
349R91.9Very high88.3Confident110 Ų11056.8 Ų56.842%0.41531%0.306SS..EExtended strand (participates in β ladder)trans-136.297.8-179.6-178.4171.316677.2-5111.6S337 L338 T339S337-R349 VanDerWaalsContact OG-CZ 3.29Å; S337-R349 PolarHBondContact OG-NH1 3.48Å; S337-R349 PolarHBondContact OG-NH2 3.5Å; S337-R349 VanDerWaalsContact OG-NH2 3.17Å; L338-R349 CarbonylContact O-C 3.49Å; L338-R349 WeakPolarHBondContact O-CA 3.39Å; T339-R349 PolarHBondContact OG1-NH1 3.11Å
350L90.2Very high87.4Confident24 Ų2464.7 Ų64.713%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-72.1138170.7-67.6-180000111.4S337 L338 F340 I364 F373S337-L350 CarbonylContact C-O 3.5Å; S337-L350 WeakPolarHBondContact CA-O 3.46Å; S337-L350 WeakPolarHBondContact CB-O 3.45Å; L338-L350 HydrophobicContact CB-CB 4.46Å; L338-L350 PolarHBondContact N-O 3.08Å; L338-L350 PolarHBondContact O-N 3.41Å; F340-L350 HydrophobicContact CE2-CB 4.38Å; F340-L350 HydrophobicContact CE2-CD1 3.81Å; F340-L350 HydrophobicContact CE2-CG 3.92Å; F340-L350 HydrophobicContact CZ-CD1 4.15Å; L350-I364 HydrophobicContact CD1-CD1 3.82Å; L350-I364 HydrophobicContact CD1-CG1 3.9Å; L350-I364 HydrophobicContact CD1-CG2 4.02Å; L350-I364 HydrophobicContact CD2-CB 4.43Å; L350-I364 HydrophobicContact CD2-CG1 4.28Å; L350-I364 HydrophobicContact CD2-CG2 3.69Å; L350-I364 HydrophobicContact CG-CG1 4.48Å; L350-I364 HydrophobicContact CG-CG2 3.76Å; L350-F373 HydrophobicContact CD1-CE2 3.54Å; L350-F373 HydrophobicContact CD1-CZ 3.47Å; L350-F373 VanDerWaalsContact CD1-CZ 3.47Å
351S89.4Confident86.2Confident93 Ų9367.5 Ų67.565%0.6537%0.369SS*.EExtended strand (participates in β ladder)trans-120.3140.8160.466.20000110
352S87.8Confident85.6Confident9 Ų966.9 Ų66.96%0.06337%0.373CS..EExtended strand (participates in β ladder)trans-156.7152.517949.60000114F336 H358F336-S352 VanDerWaalsContact CD1-O 3.31Å; F336-S352 WeakPolarHBondContact CD1-O 3.33Å; F336-S352 WeakPolarHBondContact CE1-OG 3.31Å; F336-S352 WeakPolarHBondContact CZ-OG 3.4Å; F336-S352 PolarHBondContact N-O 2.97Å; F336-S352 PolarHBondContact O-N 3.48Å; S352-H358 WeakPolarHBondContact CB-NE2 3.44Å; S352-H358 PolarHBondContact OG-NE2 2.87Å; S352-H358 VanDerWaalsContact OG-NE2 3.15Å
353C88.1Confident85.4Confident32 Ų3271.4 Ų71.422%0.21639%0.389CS..SBendtrans-78.5-21.3-178.754.80000113.7R330 C382 C385R330-C353 PolarHBondContact NH2-O 2.89Å; C353-C382 PolarHBondContact O-SG 2.99Å; C353-C382 VanDerWaalsContact O-SG 3.34Å; C353-C385 PolarHBondContact SG-SG 2.93Å
354C88.1Confident85.4Confident0 Ų067.5 Ų67.50%037%0.368CS..  trans-162.2163.9164.9660000110.1Y356 K357 C382 C385C354-Y356 VanDerWaalsContact C-N 3.28Å; C354-Y356 PolarHBondContact O-N 2.91Å; C354-K357 WeakPolarHBondContact O-CB 3.44Å; C354-K357 PolarHBondContact O-N 3.44Å; C354-C382 HydrophobicContact CB-CB 3.86Å; C354-C382 VanDerWaalsContact SG-SG 3.62Å; C354-C385 PolarHBondContact SG-SG 3.37Å
355E88.9Confident85.1Confident5 Ų566.9 Ų66.92%0.02336%0.362CS..G310 helixtrans-53.3-48.3176-64.688.915500110.7S273 V275 S328 R330 F336 K357 H358 M376 A379S273-E355 VanDerWaalsContact CB-OE1 3.24Å; S273-E355 WeakPolarHBondContact CB-OE1 3.44Å; S273-E355 PolarHBondContact OG-OE1 3.38Å; V275-E355 HydrophobicContact CB-CG 4.1Å; V275-E355 HydrophobicContact CG1-CB 4.04Å; V275-E355 HydrophobicContact CG1-CG 4.07Å; V275-E355 HydrophobicContact CG2-CG 4.31Å; S328-E355 WeakPolarHBondContact CB-OE1 3.34Å; S328-E355 PolarHBondContact OG-OE1 3.08Å; R330-E355 WeakPolarHBondContact CD-OE1 3.38Å; R330-E355 WeakPolarHBondContact CD-OE2 3.25Å; R330-E355 IonicContact CZ-OE2 3.92Å; R330-E355 IonicContact NE-OE2 2.64Å; R330-E355 IonicContact NH1-OE2 2.66Å; R330-E355 PolarHBondContact NH1-OE2 3.15Å; F336-E355 HydrophobicContact CE1-CG 4.28Å; F336-E355 HydrophobicContact CZ-CG 3.98Å; E355-K357 PolarHBondContact O-N 3.31Å; E355-H358 PolarHBondContact O-N 2.82Å; E355-M376 VanDerWaalsContact C-SD 3.51Å; E355-M376 HydrophobicContact CB-SD 3.9Å; E355-M376 VanDerWaalsContact O-CE 3.23Å; E355-M376 WeakPolarHBondContact O-CE 3.45Å; E355-A379 HydrophobicContact CB-CB 4.46Å
356Y85.8Confident84.8Confident102 Ų10262.7 Ų62.740%0.435%0.35SS..G310 helixtrans-56-18-178.4-175.2-81.8000115C354 H358 P381 M389C354-Y356 VanDerWaalsContact C-N 3.28Å; C354-Y356 PolarHBondContact O-N 2.91Å; Y356-H358 PolarHBondContact O-N 2.89Å; Y356-H358 VanDerWaalsContact O-N 3.12Å; Y356-P381 HydrophobicContact CD1-CB 3.69Å; Y356-P381 HydrophobicContact CE1-CB 3.99Å; Y356-P381 HydrophobicContact CG-CB 4.07Å; Y356-M389 HydrophobicContact CE1-CE 4.03Å; Y356-M389 HydrophobicContact CE1-SD 3.65Å
357K86Confident84.2Confident133 Ų13368.6 Ų68.658%0.57837%0.366SS*.G310 helixtrans-55.6-33.1-178.6-173.2-176.7176.1-172.40112.7C354 E355C354-K357 WeakPolarHBondContact O-CB 3.44Å; C354-K357 PolarHBondContact O-N 3.44Å; E355-K357 PolarHBondContact O-N 3.31Å
358H81.3Confident83.8Confident31 Ų3171.9 Ų71.914%0.14438%0.382CS..SBendtrans-88.3126.9-172.4-52.9-79.2000111.8S352 E355 Y356 F373 M376S352-H358 WeakPolarHBondContact CB-NE2 3.44Å; S352-H358 PolarHBondContact OG-NE2 2.87Å; S352-H358 VanDerWaalsContact OG-NE2 3.15Å; E355-H358 PolarHBondContact O-N 2.82Å; Y356-H358 PolarHBondContact O-N 2.89Å; Y356-H358 VanDerWaalsContact O-N 3.12Å; H358-F373 HydrophobicContact CB-CD1 4.23Å; H358-F373 HydrophobicContact CB-CD2 3.39Å; H358-F373 HydrophobicContact CB-CE1 4.3Å; H358-F373 HydrophobicContact CB-CE2 3.45Å; H358-F373 VanDerWaalsContact CB-CE2 3.45Å; H358-F373 HydrophobicContact CB-CG 3.79Å; H358-F373 HydrophobicContact CB-CZ 3.93Å; H358-F373 AromaticContact CD2-CE2 3.64Å; H358-F373 AromaticContact CD2-CZ 3.41Å; H358-F373 VanDerWaalsContact CD2-CZ 3.41Å; H358-F373 WeakPolarHBondContact CD2-CZ 3.38Å; H358-F373 AromaticContact CE1-CE2 3.98Å; H358-F373 AromaticContact CG-CD2 3.74Å; H358-F373 AromaticContact CG-CE2 3.21Å; H358-F373 AromaticContact CG-CZ 3.53Å; H358-F373 AromaticContact ND1-CE2 3.49Å; H358-F373 WeakPolarHBondContact ND1-CE2 3.41Å; H358-F373 AromaticContact NE2-CZ 3.87Å; H358-M376 HydrophobicContact CB-CE 4.45Å; H358-M376 WeakPolarHBondContact O-CE 3.31Å
359S68.6Low83.6Confident79 Ų7969.1 Ų69.155%0.55237%0.37SS*.PPolyproline II helixtrans-71.9148.8178.2510000112.2G361 S362S359-G361 PolarHBondContact O-N 3.35Å; S359-S362 WeakPolarHBondContact O-CB 3.41Å; S359-S362 PolarHBondContact O-N 3.23Å; S359-S362 VanDerWaalsContact O-N 3.12Å
360K75.5Confident83.5Confident169 Ų16965.6 Ų65.674%0.73536%0.36SS*.THydrogen-bonded Turntrans-60.3128.5172.6-60-177.6-175.9177.20109.3S374K360-S374 WeakPolarHBondContact CB-O 3.41Å; K360-S374 WeakPolarHBondContact CG-O 3.45Å
361G69.9Low83.6Confident60 Ų6064.4 Ų64.462%0.61935%0.354SS*.THydrogen-bonded Turntrans90-7.5-175.700000115.4S359 R363 F373S359-G361 PolarHBondContact O-N 3.35Å; G361-R363 PolarHBondContact O-N 3.13Å; G361-F373 WeakPolarHBondContact CA-O 3.46Å; G361-F373 PolarHBondContact N-O 3.12Å
362S80Confident83.6Confident45 Ų4560 Ų6032%0.31532%0.323SS..  trans-68.9125.7-177.8-168.50000112.2S359 G372 F373S359-S362 WeakPolarHBondContact O-CB 3.41Å; S359-S362 PolarHBondContact O-N 3.23Å; S359-S362 VanDerWaalsContact O-N 3.12Å; S362-G372 CarbonylContact O-C 3.6Å; S362-G372 WeakPolarHBondContact O-CA 3.32Å; S362-F373 PolarHBondContact O-N 3.3Å
363R88.3Confident83.8Confident113 Ų11360 Ų6043%0.42632%0.322SS..EExtended strand (participates in β ladder)trans-79.6146.5169.1-75.8-171.4175.7171.9-0.5111.9F282 G361 G366 R367 F371F282-R363 VanDerWaalsContact CD1-NH2 3.33Å; F282-R363 HydrophobicContact CD2-CG 3.99Å; F282-R363 HydrophobicContact CE2-CG 3.65Å; F282-R363 HydrophobicContact CZ-CG 4.36Å; G361-R363 PolarHBondContact O-N 3.13Å; R363-G366 WeakPolarHBondContact CB-O 3.35Å; R363-R367 PolarHBondContact NH1-O 3.28Å; R363-F371 WeakPolarHBondContact CA-O 3.35Å
364I87.9Confident83.9Confident7 Ų760.7 Ų60.74%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-105.1114.7-171.6-67.6159.7000106.9M279 E348 L350 G369 F371 F373M279-I364 HydrophobicContact CE-CD1 3.24Å; E348-I364 HydrophobicContact CB-CG2 4.42Å; E348-I364 HydrophobicContact CG-CG2 3.48Å; E348-I364 VanDerWaalsContact CG-CG2 3.48Å; L350-I364 HydrophobicContact CD1-CD1 3.82Å; L350-I364 HydrophobicContact CD1-CG1 3.9Å; L350-I364 HydrophobicContact CD1-CG2 4.02Å; L350-I364 HydrophobicContact CD2-CB 4.43Å; L350-I364 HydrophobicContact CD2-CG1 4.28Å; L350-I364 HydrophobicContact CD2-CG2 3.69Å; L350-I364 HydrophobicContact CG-CG1 4.48Å; L350-I364 HydrophobicContact CG-CG2 3.76Å; I364-G369 WeakPolarHBondContact O-CA 3.18Å; I364-F371 HydrophobicContact CB-CB 4.23Å; I364-F371 WeakPolarHBondContact CB-O 3.47Å; I364-F371 HydrophobicContact CD1-CB 3.86Å; I364-F371 PolarHBondContact N-O 3.45Å; I364-F373 HydrophobicContact CD1-CD2 3.76Å; I364-F373 HydrophobicContact CD1-CE2 3.53Å; I364-F373 HydrophobicContact CD1-CZ 4.13Å; I364-F373 HydrophobicContact CG1-CD2 3.94Å; I364-F373 HydrophobicContact CG1-CE2 3.73Å
365G80Confident83.8Confident49 Ų4962.8 Ų62.851%0.50534%0.342SS..THydrogen-bonded Turntrans88.717.4-161.900000113.8E348E348-G365 WeakPolarHBondContact OE2-CA 3.45Å
366G83.2Confident83.7Confident43 Ų4364.5 Ų64.544%0.44335%0.35SS..G310 helixtrans74.1-147.1176.100000114R363 N368 G369R363-G366 WeakPolarHBondContact CB-O 3.35Å; G366-N368 VanDerWaalsContact C-N 3.27Å; G366-N368 PolarHBondContact O-N 3.08Å; G366-G369 PolarHBondContact O-N 2.88Å
367R77.9Confident83.9Confident226 Ų22666.3 Ų66.385%0.85336%0.362SS*.G310 helixtrans-56.6-40-172.5-66.4-177.5-177.8171.32.1112.8R363 G369R363-R367 PolarHBondContact NH1-O 3.28Å; R367-G369 VanDerWaalsContact C-N 3.29Å; R367-G369 PolarHBondContact O-N 3.48Å
368N80.7Confident83.7Confident115 Ų11563 Ų6362%0.61537%0.366SS*.G310 helixtrans-90.912.5-177.1-59.83.1000112.6L285 G366 L370L285-N368 HydrophobicContact CD2-CB 4.38Å; G366-N368 VanDerWaalsContact C-N 3.27Å; G366-N368 PolarHBondContact O-N 3.08Å; N368-L370 PolarHBondContact O-N 3.41Å
369G86.7Confident83.9Confident6 Ų662.7 Ų62.76%0.06237%0.369CS..  trans-64.1120.8-175.100000114.2I364 G366 R367 F371I364-G369 WeakPolarHBondContact O-CA 3.18Å; G366-G369 PolarHBondContact O-N 2.88Å; R367-G369 VanDerWaalsContact C-N 3.29Å; R367-G369 PolarHBondContact O-N 3.48Å; G369-F371 PolarHBondContact O-N 3.29Å
370L88.8Confident84.6Confident36 Ų3663.5 Ų63.519%0.18837%0.371CS..SBendtrans-61.4-19.2176.7-92.4143.3000113.9Y281 F282 G283 V347 N368Y281-L370 WeakPolarHBondContact CD2-O 3.46Å; Y281-L370 HydrophobicContact CE2-CB 4.49Å; Y281-L370 HydrophobicContact CE2-CD2 3.63Å; F282-L370 PolarHBondContact N-O 2.93Å; G283-L370 VanDerWaalsContact C-CD2 3.49Å; G283-L370 WeakPolarHBondContact O-CD2 3.45Å; V347-L370 HydrophobicContact CG1-CB 4.15Å; V347-L370 HydrophobicContact CG1-CD1 3.46Å; V347-L370 VanDerWaalsContact CG1-CD1 3.46Å; V347-L370 HydrophobicContact CG1-CG 4.41Å; N368-L370 PolarHBondContact O-N 3.41Å
371F91.8Very high85.1Confident0 Ų057.5 Ų57.50%035%0.349CS..EExtended strand (participates in β ladder)trans-131.3159.1-179.2-55.1-80.6000110.9M279 V280 Y281 I299 F324 F340 V347 R363 I364 G369M279-F371 HydrophobicContact CE-CB 3.75Å; M279-F371 HydrophobicContact CE-CG 4.46Å; V280-F371 CarbonylContact O-C 3.58Å; V280-F371 WeakPolarHBondContact O-CA 2.73Å; Y281-F371 AromaticContact CD2-CD1 3.74Å; Y281-F371 HydrophobicContact CD2-CD1 3.74Å; Y281-F371 AromaticContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CE1 3.42Å; Y281-F371 VanDerWaalsContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CZ 4.1Å; Y281-F371 AromaticContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CZ 4.18Å; Y281-F371 HydrophobicContact CG-CE1 4.36Å; I299-F371 HydrophobicContact CD1-CE1 4.16Å; I299-F371 HydrophobicContact CD1-CZ 4.07Å; I299-F371 HydrophobicContact CG1-CE1 4.33Å; I299-F371 HydrophobicContact CG2-CE1 3.64Å; I299-F371 HydrophobicContact CG2-CZ 4.07Å; F324-F371 HydrophobicContact CE1-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CE1 4.48Å; F340-F371 HydrophobicContact CB-CD2 3.96Å; F340-F371 HydrophobicContact CB-CE2 3.53Å; F340-F371 HydrophobicContact CB-CZ 4.03Å; F340-F371 HydrophobicContact CD1-CD1 4.16Å; F340-F371 AromaticContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CE1 4.29Å; F340-F371 HydrophobicContact CD1-CE2 4.12Å; F340-F371 HydrophobicContact CD1-CG 4Å; F340-F371 HydrophobicContact CD1-CZ 4.27Å; F340-F371 HydrophobicContact CE1-CG 4.49Å; F340-F371 AromaticContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CE2 4.03Å; F340-F371 HydrophobicContact CG-CG 4.45Å; V347-F371 HydrophobicContact CB-CE2 4.27Å; V347-F371 HydrophobicContact CG1-CE2 4.06Å; R363-F371 WeakPolarHBondContact CA-O 3.35Å; I364-F371 HydrophobicContact CB-CB 4.23Å; I364-F371 WeakPolarHBondContact CB-O 3.47Å; I364-F371 HydrophobicContact CD1-CB 3.86Å; I364-F371 PolarHBondContact N-O 3.45Å; G369-F371 PolarHBondContact O-N 3.29Å
372G91.3Very high86Confident1 Ų155.9 Ų55.91%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-154.8158.3167.400000113.6M279 V280 S362M279-G372 CarbonylContact C-O 3.6Å; M279-G372 WeakPolarHBondContact CA-O 3.33Å; M279-G372 WeakPolarHBondContact CB-O 3.44Å; V280-G372 PolarHBondContact N-O 3.02Å; V280-G372 PolarHBondContact O-N 2.94Å; S362-G372 CarbonylContact O-C 3.6Å; S362-G372 WeakPolarHBondContact O-CA 3.32Å
373F91.1Very high86.2Confident7 Ų762.2 Ų62.23%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-80.7129.7175.8-68.8-83.1000110.6V277 M279 L350 H358 G361 S362 I364V277-F373 HydrophobicContact CG1-CD1 4.02Å; V277-F373 HydrophobicContact CG1-CE1 3.92Å; M279-F373 HydrophobicContact CG-CD1 4.18Å; M279-F373 HydrophobicContact CG-CE1 4.5Å; M279-F373 HydrophobicContact SD-CD1 4.38Å; M279-F373 HydrophobicContact SD-CE1 4.14Å; L350-F373 HydrophobicContact CD1-CE2 3.54Å; L350-F373 HydrophobicContact CD1-CZ 3.47Å; L350-F373 VanDerWaalsContact CD1-CZ 3.47Å; H358-F373 HydrophobicContact CB-CD1 4.23Å; H358-F373 HydrophobicContact CB-CD2 3.39Å; H358-F373 HydrophobicContact CB-CE1 4.3Å; H358-F373 HydrophobicContact CB-CE2 3.45Å; H358-F373 VanDerWaalsContact CB-CE2 3.45Å; H358-F373 HydrophobicContact CB-CG 3.79Å; H358-F373 HydrophobicContact CB-CZ 3.93Å; H358-F373 AromaticContact CD2-CE2 3.64Å; H358-F373 AromaticContact CD2-CZ 3.41Å; H358-F373 VanDerWaalsContact CD2-CZ 3.41Å; H358-F373 WeakPolarHBondContact CD2-CZ 3.38Å; H358-F373 AromaticContact CE1-CE2 3.98Å; H358-F373 AromaticContact CG-CD2 3.74Å; H358-F373 AromaticContact CG-CE2 3.21Å; H358-F373 AromaticContact CG-CZ 3.53Å; H358-F373 AromaticContact ND1-CE2 3.49Å; H358-F373 WeakPolarHBondContact ND1-CE2 3.41Å; H358-F373 AromaticContact NE2-CZ 3.87Å; G361-F373 WeakPolarHBondContact CA-O 3.46Å; G361-F373 PolarHBondContact N-O 3.12Å; S362-F373 PolarHBondContact O-N 3.3Å; I364-F373 HydrophobicContact CD1-CD2 3.76Å; I364-F373 HydrophobicContact CD1-CE2 3.53Å; I364-F373 HydrophobicContact CD1-CZ 4.13Å; I364-F373 HydrophobicContact CG1-CD2 3.94Å; I364-F373 HydrophobicContact CG1-CE2 3.73Å
374S90Very high86.2Confident48 Ų4864.4 Ų64.434%0.33636%0.358SS..EExtended strand (participates in β ladder)trans-99.1-56.9173.5-179.10000110.8T278 K360T278-S374 PolarHBondContact O-N 2.88Å; K360-S374 WeakPolarHBondContact CB-O 3.41Å; K360-S374 WeakPolarHBondContact CG-O 3.45Å
375S85.8Confident86.2Confident44 Ų4464.6 Ų64.631%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-152.4161.6-178.955.20000111.5T278T278-S375 WeakPolarHBondContact CB-O 3.39Å; T278-S375 WeakPolarHBondContact CB-OG 3.33Å; T278-S375 PolarHBondContact N-O 3.48Å; T278-S375 PolarHBondContact O-N 3.49Å; T278-S375 PolarHBondContact OG1-OG 3.48Å; T278-S375 VanDerWaalsContact OG1-OG 3.1Å
376M88.3Confident86.5Confident40 Ų4065.4 Ų65.420%0.19735%0.352CS..EExtended strand (participates in β ladder)trans-138.5136.1170.9-68.8177.3-8000109.3V275 Q276 V277 E355 H358 A379V275-M376 HydrophobicContact CG1-CB 4.32Å; Q276-M376 CarbonylContact O-C 3.54Å; Q276-M376 VanDerWaalsContact O-CA 3.3Å; Q276-M376 WeakPolarHBondContact O-CA 3.25Å; V277-M376 HydrophobicContact CB-CG 4.48Å; V277-M376 HydrophobicContact CG1-CG 4.15Å; V277-M376 HydrophobicContact CG2-CG 4.33Å; E355-M376 VanDerWaalsContact C-SD 3.51Å; E355-M376 HydrophobicContact CB-SD 3.9Å; E355-M376 VanDerWaalsContact O-CE 3.23Å; E355-M376 WeakPolarHBondContact O-CE 3.45Å; H358-M376 HydrophobicContact CB-CE 4.45Å; H358-M376 WeakPolarHBondContact O-CE 3.31Å; M376-A379 HydrophobicContact CB-CB 3.9Å
377E88.5Confident86.7Confident141 Ų14166.4 Ų66.466%0.65935%0.35SS*.EExtended strand (participates in β ladder)trans-118.8135.7-178.8-169.2177162.700110.3V275 Q276 A379V275-E377 WeakPolarHBondContact CG1-O 3.4Å; Q276-E377 HydrophobicContact CB-CB 4.33Å; Q276-E377 PolarHBondContact N-O 3.27Å; Q276-E377 PolarHBondContact O-N 2.67Å; E377-A379 PolarHBondContact O-N 2.83Å
378G82.8Confident87Confident64 Ų6459.8 Ų59.866%0.6634%0.344SS*.SBendtrans73.90.6-171.200000115.2
379A85Confident86.9Confident24 Ų2458.4 Ų58.420%0.19833%0.334CS..  trans-68.2131.9176.900000111.6V275 E355 M376 E377V275-A379 HydrophobicContact CG1-CB 3.76Å; V275-A379 HydrophobicContact CG2-CB 4.32Å; E355-A379 HydrophobicContact CB-CB 4.46Å; M376-A379 HydrophobicContact CB-CB 3.9Å; E377-A379 PolarHBondContact O-N 2.83Å
380T83.2Confident86Confident96 Ų9661 Ų6159%0.58936%0.361SS*.  trans-120.8141.6172.246.80000109.8
381P86.5Confident84.4Confident42 Ų4262.9 Ų62.927%0.27337%0.374SS..  trans-63.9135.8174.427.6-34.5000110.1Y356 C385 I386 M389Y356-P381 HydrophobicContact CD1-CB 3.69Å; Y356-P381 HydrophobicContact CE1-CB 3.99Å; Y356-P381 HydrophobicContact CG-CB 4.07Å; P381-C385 HydrophobicContact CB-CB 4.06Å; P381-I386 HydrophobicContact CB-CG1 3.93Å; P381-I386 HydrophobicContact CG-CD1 4.49Å; P381-I386 HydrophobicContact CG-CG1 4.02Å; P381-M389 HydrophobicContact CB-CE 3.75Å; P381-M389 HydrophobicContact CG-CE 4.05Å
382C87.6Confident82.3Confident26 Ų2669.2 Ų69.218%0.17641%0.408CS..  trans-81.6165.1168.270.20000110.8C353 C354 K384 C385 I386C353-C382 PolarHBondContact O-SG 2.99Å; C353-C382 VanDerWaalsContact O-SG 3.34Å; C354-C382 HydrophobicContact CB-CB 3.86Å; C354-C382 VanDerWaalsContact SG-SG 3.62Å; C382-K384 PolarHBondContact O-N 3.3Å; C382-K384 VanDerWaalsContact O-N 3.1Å; C382-C385 CarbonylContact O-C 3.55Å; C382-C385 WeakPolarHBondContact O-CA 3.16Å; C382-C385 WeakPolarHBondContact O-CB 3.43Å; C382-C385 PolarHBondContact O-N 3.09Å; C382-I386 WeakPolarHBondContact O-CG1 3.37Å; C382-I386 PolarHBondContact O-N 2.87Å
383Y86.1Confident80.2Confident179 Ų17978.4 Ų78.470%0.70245%0.448SS*.Hα-helixtrans-47.2-43.8-179.1-175.7-100.7000113.8C385 I386 V387Y383-C385 VanDerWaalsContact C-N 3.28Å; Y383-C385 PolarHBondContact O-N 3.03Å; Y383-I386 WeakPolarHBondContact O-CB 3.33Å; Y383-I386 PolarHBondContact O-N 3.15Å; Y383-I386 VanDerWaalsContact O-N 3.07Å; Y383-V387 HydrophobicContact CD1-CG2 4.22Å; Y383-V387 HydrophobicContact CE1-CG2 3.75Å; Y383-V387 HydrophobicContact CE2-CG2 4.08Å; Y383-V387 PolarHBondContact O-N 3.47Å
384K87.6Confident77.9Confident158 Ų15885.4 Ų85.469%0.68749%0.485SS*.Hα-helixtrans-61.8-31.1176.7-64.7-161.1174.7-161.30113.9C382 A388C382-K384 PolarHBondContact O-N 3.3Å; C382-K384 VanDerWaalsContact O-N 3.1Å; K384-A388 VanDerWaalsContact O-CB 3.23Å; K384-A388 WeakPolarHBondContact O-CB 3.23Å; K384-A388 PolarHBondContact O-N 3.44Å
385C87.4Confident75.6Confident12 Ų1288.9 Ų88.98%0.08151%0.506CS..Hα-helixtrans-82.5-29.7172.4-70.40000112.7C353 C354 P381 C382 Y383 M389C353-C385 PolarHBondContact SG-SG 2.93Å; C354-C385 PolarHBondContact SG-SG 3.37Å; P381-C385 HydrophobicContact CB-CB 4.06Å; C382-C385 CarbonylContact O-C 3.55Å; C382-C385 WeakPolarHBondContact O-CA 3.16Å; C382-C385 WeakPolarHBondContact O-CB 3.43Å; C382-C385 PolarHBondContact O-N 3.09Å; Y383-C385 VanDerWaalsContact C-N 3.28Å; Y383-C385 PolarHBondContact O-N 3.03Å; C385-M389 WeakPolarHBondContact O-CB 3.41Å; C385-M389 WeakPolarHBondContact O-CE 3.44Å; C385-M389 WeakPolarHBondContact O-CG 3.48Å; C385-M389 PolarHBondContact O-N 3.19Å; C385-M389 VanDerWaalsContact O-N 3.07Å
386I87.1Confident73.6Confident65 Ų6594.3 Ų94.333%0.33353%0.53SS..Hα-helixtrans-63.9-51.5175.4-65.9173.8000109.4P381 C382 Y383 M389 V391P381-I386 HydrophobicContact CB-CG1 3.93Å; P381-I386 HydrophobicContact CG-CD1 4.49Å; P381-I386 HydrophobicContact CG-CG1 4.02Å; C382-I386 WeakPolarHBondContact O-CG1 3.37Å; C382-I386 PolarHBondContact O-N 2.87Å; Y383-I386 WeakPolarHBondContact O-CB 3.33Å; Y383-I386 PolarHBondContact O-N 3.15Å; Y383-I386 VanDerWaalsContact O-N 3.07Å; I386-M389 PolarHBondContact O-N 3.48Å; I386-V391 HydrophobicContact CB-CG2 4.41Å; I386-V391 HydrophobicContact CG2-CG2 3.63Å; I386-V391 WeakPolarHBondContact O-CG2 3.4Å
387V87.7Confident71.5Confident64 Ų6497.4 Ų97.439%0.38855%0.553SS.*Hα-helixtrans-60.3-48.5175.5177.80000111Y383 M389 G390Y383-V387 HydrophobicContact CD1-CG2 4.22Å; Y383-V387 HydrophobicContact CE1-CG2 3.75Å; Y383-V387 HydrophobicContact CE2-CG2 4.08Å; Y383-V387 PolarHBondContact O-N 3.47Å; V387-M389 PolarHBondContact O-N 3.34Å; V387-G390 PolarHBondContact O-N 2.97Å
388A84.3Confident69.3Low88 Ų8896.2 Ų96.273%0.72756%0.558SS**THydrogen-bonded Turntrans-67.9-5.6178.900000115.2K384K384-A388 VanDerWaalsContact O-CB 3.23Å; K384-A388 WeakPolarHBondContact O-CB 3.23Å; K384-A388 PolarHBondContact O-N 3.44Å
389M77.4Confident67.5Low85 Ų8598.9 Ų98.942%0.41956%0.563SS.*THydrogen-bonded Turntrans-95.41.2169.9-77.7-174.9-57.100112.9Y356 P381 C385 I386 V387 V391Y356-M389 HydrophobicContact CE1-CE 4.03Å; Y356-M389 HydrophobicContact CE1-SD 3.65Å; P381-M389 HydrophobicContact CB-CE 3.75Å; P381-M389 HydrophobicContact CG-CE 4.05Å; C385-M389 WeakPolarHBondContact O-CB 3.41Å; C385-M389 WeakPolarHBondContact O-CE 3.44Å; C385-M389 WeakPolarHBondContact O-CG 3.48Å; C385-M389 PolarHBondContact O-N 3.19Å; C385-M389 VanDerWaalsContact O-N 3.07Å; I386-M389 PolarHBondContact O-N 3.48Å; V387-M389 PolarHBondContact O-N 3.34Å; M389-V391 HydrophobicContact CB-CG1 4.4Å; M389-V391 HydrophobicContact CB-CG2 4.25Å; M389-V391 PolarHBondContact O-N 3.16Å
390G67.6Low65.3Low60 Ų60107.3 Ų107.362%0.61960%0.595SS**THydrogen-bonded Turntrans64.521-179.300000114.1V387 D392V387-G390 PolarHBondContact O-N 2.97Å; G390-D392 PolarHBondContact O-N 3.08Å
391V56.6Low63.1Low77 Ų77111.9 Ų111.947%0.46761%0.607SS.*  trans-8650.6-178.9-68.90000112.2I386 M389 K393I386-V391 HydrophobicContact CB-CG2 4.41Å; I386-V391 HydrophobicContact CG2-CG2 3.63Å; I386-V391 WeakPolarHBondContact O-CG2 3.4Å; M389-V391 HydrophobicContact CB-CG1 4.4Å; M389-V391 HydrophobicContact CB-CG2 4.25Å; M389-V391 PolarHBondContact O-N 3.16Å; V391-K393 PolarHBondContact O-N 2.95Å
392D46.8Very low60.7Low132 Ų132116.1 Ų116.171%0.70663%0.632SS**  trans-74.844.4170.7-70.1-51.2000112.5G390G390-D392 PolarHBondContact O-N 3.08Å
393K47.7Very low58Low195 Ų195122.2 Ų122.285%0.84866%0.662SS**SBendtrans-101.491.1159-64.7-167.8179.9-173.90106.5V391V391-K393 PolarHBondContact O-N 2.95Å
394L42.3Very low55.3Low154 Ų154116.6 Ų116.681%0.80666%0.659SS**  trans-33.1124.7178.3-70.3163.9000111.3I396L394-I396 PolarHBondContact O-N 3.15Å
395P42.1Very low52.4Low121 Ų121116.5 Ų116.579%0.78667%0.666SS**  trans-61.7112.1174.425.6-32.5000108.2P397P395-P397 VanDerWaalsContact O-N 3.09Å
396I42.9Very low49.8Very low158 Ų158123.2 Ų123.281%0.8170%0.7SS**PPolyproline II helixtrans-51.3119.3-175.6-60.9172.2000108.1L394L394-I396 PolarHBondContact O-N 3.15Å
397P43.8Very low47.1Very low105 Ų105125 Ų12568%0.68272%0.719SS**PPolyproline II helixtrans-61.5135.1-175.823.7-33000109.1P395P395-P397 VanDerWaalsContact O-N 3.09Å
398P43.8Very low44.4Very low116 Ų116129.5 Ų129.575%0.75374%0.74SS**PPolyproline II helixtrans-58134.5-174.823.3-33.7000110K400P398-K400 PolarHBondContact O-N 3.14Å
399P44.1Very low41.9Very low119 Ų119135.9 Ų135.977%0.77375%0.745SS**PPolyproline II helixtrans-58.1133.1-169.320.9-32.7000111.3K401P399-K401 PolarHBondContact O-N 3.09Å
400K38.8Very low39.6Very low202 Ų202139.9 Ų139.988%0.87876%0.76SS**  trans-55.4112.1-179.8-69.2179.7-179.7175.80109.3P398 V402P398-K400 PolarHBondContact O-N 3.14Å; K400-V402 PolarHBondContact O-N 2.74Å
401K38.2Very low37.8Very low192 Ų192144.9 Ų144.984%0.83577%0.767SS**  trans-7193.4176.9-70-170177.5-173.80110.2P399 N403P399-K401 PolarHBondContact O-N 3.09Å; K401-N403 VanDerWaalsContact C-N 3.29Å; K401-N403 PolarHBondContact O-N 2.66Å
402V36.1Very low36.5Very low130 Ų130146.7 Ų146.779%0.78878%0.784SS**  trans-72.689.6163.2-178.10000108.1K400K400-V402 PolarHBondContact O-N 2.74Å
403N30.2Very low35.6Very low154 Ų154145 Ų14582%0.82479%0.788SS**  trans-77.1116.3146.3-54-27.1000104.9K401K401-N403 VanDerWaalsContact C-N 3.29Å; K401-N403 PolarHBondContact O-N 2.66Å
404G28.6Very low34.6Very low62 Ų62142 Ų14264%0.63979%0.786SS**  cis125.5140.53.600000109.3
405D27.1Very low33.9Very low156 Ų156139.4 Ų139.483%0.83478%0.781SS**  trans-145161.7174-137.6-33.3000112.2
406L33.4Very low33.4Very low152 Ų152141.2 Ų141.280%0.79678%0.783SS**  trans-96.1152.8-161-6188.1000113.4
407S29.1Very low32.8Very low103 Ų103141.7 Ų141.772%0.7278%0.779SS**  -177.2142111.2490000114.5
408L31.3Very low31.8Very low159 Ų159141.4 Ų141.483%0.83277%0.772SS**  trans66.2152.6156-62.4158000116.7
409R31.6Very low31.1Very low222 Ų222143.1 Ų143.184%0.83877%0.77SS**  cis-146.3127.34.4-158.6167.1177.2172.5-2.5111.9
410K29.8Very low30.4Very low168 Ų168143.5 Ų143.573%0.7377%0.766SS**  trans14.9146.3148.1-97.5-179.5172.5-177.20122
411Q30.5Very low29.8Very low165 Ų165142.3 Ų142.377%0.77176%0.763SS**  trans78.7144.3148.1-70.2158.8-47.100116.7
412S28.9Very low29.6Very low115 Ų115142 Ų14280%0.80477%0.767SS**  cis-157.2161.6-634.20000111.8
413A28.2Very low29.2Very low96 Ų96144.5 Ų144.579%0.79377%0.77SS**  trans-103.9138.2176.200000112.7
414T26.4Very low29.1Very low134 Ų134141.3 Ų141.382%0.82277%0.765SS**  trans-172.5122.9157.413.80000104.8
415S27Very low28.9Very low99 Ų99144.8 Ų144.869%0.69277%0.769SS**  cis91.597.637.3-168.20000113.3
416L32.2Very low29.1Very low159 Ų159143.4 Ų143.483%0.83277%0.766SS**  trans56.9121.1150.3-54.6173.1000119.2
417K28.6Very low28.8Very low167 Ų167140.9 Ų140.973%0.72676%0.757SS**  -175.614198.3-97.2-170.4159.5-69.30112.6
418D24Very low28.9Very low99 Ų99144.3 Ų144.353%0.52976%0.762SS.*  50.7147.4127.8-46.7-1000121
419E29.9Very low28.8Very low152 Ų152144.4 Ų144.471%0.7176%0.758SS**  cis-164172-3.1-120.9166.2-160.500111.2
420N28.5Very low28.7Very low128 Ų128139.5 Ų139.568%0.68475%0.753SS**  trans71.1127.4166.3-52.1-33000116.7
421E26.3Very low28.6Very low177 Ų177135.5 Ų135.583%0.82775%0.751SS**  cis98.8149.135.9-76.3-165.1170.100114
422M33.4Very low28.4Very low184 Ų184134.3 Ų134.391%0.90676%0.755SS**  trans78.899.2-165.3-52.9-168.5-172.300112.6
423E27.7Very low28.5Very low183 Ų183134.5 Ų134.586%0.85576%0.756SS**  cis74.1146.729.1-82.5-70-175.700116.9
424A27.9Very low28.5Very low87 Ų87138.6 Ų138.672%0.71976%0.756SS**  trans66.2115.4-165.400000115
425D25.5Very low28.6Very low136 Ų136140.1 Ų140.173%0.72775%0.753SS**  cis85.4113.535.5-16926.1000114.8
426T30.1Very low28.6Very low126 Ų126142 Ų14277%0.77375%0.751SS**  trans-179.4110.213818.20000112.8
427T27.7Very low28.4Very low99 Ų99143.6 Ų143.661%0.60775%0.748SS**  trans28.4133.1131.551.20000123.4
428E32.4Very low28.3Very low175 Ų175142.6 Ų142.682%0.81875%0.745SS**  trans77.2145141.4-64.8167.5-150.100119.3
429E29.3Very low28.4Very low161 Ų161142.3 Ų142.375%0.75275%0.752SS**  cis-161.2157.5-10.2-109.5-98.3100.800110.6
430V28.8Very low28.2Very low120 Ų120144.7 Ų144.773%0.72776%0.755SS**  trans70.9140.3149.81640000123.4
431A27.8Very low28Very low83 Ų83150.1 Ų150.169%0.68677%0.766SS**  trans84.995153.500000123.3
432V25.8Very low28.1Very low141 Ų141146.5 Ų146.586%0.85576%0.761SS**  45.2112.1119.5-176.30000119.7
433S31.4Very low28.2Very low118 Ų118143.6 Ų143.683%0.82576%0.755SS**  -159.4177.2105.5-157.30000112
434K28Very low28.2Very low183 Ų183142.9 Ų142.980%0.79675%0.752SS**  trans-109179.8-174.5-62.4179.1-179.41790112.3
435Q28.8Very low28.1Very low165 Ų165146.9 Ų146.977%0.77176%0.758SS**  trans77.3147.7161.9-58.6-170.2-92.900115
436E27.4Very low28.1Very low139 Ų139146.8 Ų146.865%0.6576%0.757SS**  cis-170.3132.6-30.4-116.6170.6136.800103.9
437Y27.2Very low28Very low192 Ų192146.5 Ų146.575%0.75376%0.756SS**  trans-1.8130.6159.990.7-73.4000121.2
438E26.4Very low28Very low146 Ų146148.9 Ų148.968%0.68277%0.77SS**  29.3156.9109.7-79.9-172.3142.100121.1
439S25.6Very low27.8Very low94 Ų94144.1 Ų144.166%0.65776%0.761SS**  cis-147.5170.6-2.8-161.90000110.6
440Y26.5Very low27.8Very low201 Ų201143.9 Ų143.979%0.78876%0.763SS**PPolyproline II helixtrans-77.3159.4-162.3-43.4-77000114.6
441R25.2Very low27.9Very low243 Ų243144.9 Ų144.992%0.91776%0.76SS**PPolyproline II helixtrans-70.6149.5-180-172.9-178.4-170.3161.20.7112.2
442S28.2Very low28.1Very low101 Ų101148.3 Ų148.371%0.70676%0.762SS**PPolyproline II helixtrans-57165.2171.6-39.20000113.5
443P34.7Very low28.2Very low122 Ų122147.9 Ų147.979%0.79276%0.759SS**  -129.1147.7122.136.4-30.4000114.1
444E27.7Very low28Very low169 Ų169146.6 Ų146.679%0.7976%0.756SS**  trans-89.5167.3169.6-58.2142.1137.500110.5
445M26.5Very low28.1Very low170 Ų170143.2 Ų143.284%0.83776%0.755SS**  trans-161.3115.4146.1-76.7-47.615500111.3
446D24.3Very low28.1Very low134 Ų134142 Ų14272%0.71776%0.759SS**  trans32113.7131.1-63.6-10.2000120.4
447T28.1Very low28.3Very low121 Ų121143.9 Ų143.974%0.74277%0.768SS**  91.8117.857.1610000115.7
448T27.2Very low28.5Very low149 Ų149138.9 Ų138.991%0.91476%0.761SS**  trans169.2158.5152.3300000108.9
449A28.4Very low28.6Very low75 Ų75139.1 Ų139.162%0.6277%0.767SS**  cis-174.9142.8-38.400000108.6
450I30.8Very low29Very low156 Ų156142.8 Ų142.880%0.878%0.777SS**  trans63.3145.1151.4-64.6167000117.4
451E29.9Very low29.4Very low140 Ų140141 Ų14165%0.65478%0.78SS**  cis-167.6155-24-102.1-162.7109.400108.3
452Q31.8Very low29.8Very low156 Ų156137 Ų13773%0.72978%0.777SS**  trans57.2159.4150-64.5178.639.800120.1
453T28.1Very low29.8Very low131 Ų131135.8 Ų135.880%0.80478%0.78SS**  cis-97-116.2-0.749.90000112.5
454A27.2Very low29.7Very low91 Ų91137.8 Ų137.875%0.75278%0.782SS**  cis-150.8172.22.100000110.6
455S29.5Very low30.2Very low112 Ų112135.9 Ų135.978%0.78378%0.782SS**  trans-153.1138.4-163.255.30000115.7
456V29.9Very low30.8Very low140 Ų140133.2 Ų133.285%0.84878%0.777SS**  trans-149133.4136.8179.80000109.6
457E32.1Very low31.2Very low179 Ų179135.5 Ų135.584%0.83678%0.781SS**  trans-24.4160.1160-76.2150.7-165.800119.9
458S29.7Very low31.4Very low87 Ų87135.3 Ų135.361%0.60878%0.779SS**  cis-170.6160.2-6.3540000113.7
459N29.3Very low31.6Very low151 Ų151134.6 Ų134.681%0.80777%0.77SS**  trans62.3119.2147.7-60.1-17.3000122
460I33.7Very low32Very low171 Ų171141.3 Ų141.388%0.87778%0.781SS**  -155.8161.5124.5-103161.4000108.4
461I35.8Very low32.5Very low163 Ų163142 Ų14284%0.83678%0.781SS**  trans-97.1158.4-153.3-67.5168.4000114.5
462N32.8Very low33Very low160 Ų160144.4 Ų144.486%0.85679%0.792SS**  trans-77.7156.8-177.1-63.3-46.8000115.6
463G27.4Very low33.5Very low75 Ų75143.3 Ų143.377%0.77379%0.791SS**  trans94.8147.4163.500000114
464I34.1Very low34.4Very low164 Ų164145.9 Ų145.984%0.84179%0.791SS**  cis-130.1153.117.5-71166.1000110.7
465V38.3Very low35.2Very low129 Ų129150.7 Ų150.778%0.78280%0.798SS**  trans-98.5122176.7175.20000112
466P38.3Very low36Very low113 Ų113149.5 Ų149.573%0.73480%0.795SS**  trans-88.3120.8157.4-5.525000110T468P466-T468 PolarHBondContact O-N 2.81Å
467K33.2Very low36.3Very low183 Ų183150.7 Ų150.780%0.79680%0.797SS**  trans-89.796.6180-173.6178.9-179.8-179.80109.9N469K467-N469 PolarHBondContact O-N 3.38Å
468T32Very low36.5Very low117 Ų117149.8 Ų149.872%0.71880%0.798SS**  trans-74.8103.5177.852.10000111.2P466 Y470P466-T468 PolarHBondContact O-N 2.81Å; T468-Y470 PolarHBondContact O-N 2.86Å
469N31.9Very low36.9Very low134 Ų134154.6 Ų154.672%0.71781%0.811SS**PPolyproline II helixtrans-67.9118.7161.4-73.21.3000108.5K467K467-N469 PolarHBondContact O-N 3.38Å
470Y35.6Very low37.1Very low216 Ų216152.2 Ų152.285%0.84781%0.806SS**PPolyproline II helixtrans-77.1125156-92.6-110000107.5T468T468-Y470 PolarHBondContact O-N 2.86Å
471E41.6Very low37Very low171 Ų171149.2 Ų149.280%0.79980%0.8SS**PPolyproline II helixtrans-101.7131.6155-74.4-164.5167.700108.2
472E40.3Very low36.9Very low190 Ų190149 Ų14989%0.88880%0.797SS**  trans-82.6110.9173.1-58.8170134.200107.8
473D43Very low37Very low133 Ų133149.1 Ų149.171%0.71179%0.793SS**  trans-101126.4166.3-123.1-11.3000108.5R41R41-D473 IonicContact NH1-OD1 3.48Å; R41-D473 IonicContact NH1-OD2 3.94Å; R41-D473 IonicContact NH2-OD1 3.78Å
474F46.8Very low37.3Very low185 Ų185154.3 Ų154.381%0.81180%0.797SS**  trans-89.6126.1-162.2-148.4-93.9000110.5A476F474-A476 PolarHBondContact O-N 3.48Å
475E43.3Very low37.2Very low191 Ų191153.2 Ų153.289%0.89380%0.798SS**  trans-69.4112.7166-71.3-160.8170.600108.7
476A46.1Very low36.8Very low88 Ų88153.3 Ų153.373%0.72780%0.799SS**  trans-94.2135.6179.800000111.1F474F474-A476 PolarHBondContact O-N 3.48Å
477D38.1Very low36.8Very low165 Ų165153.8 Ų153.888%0.88280%0.802SS**  trans-56.5151.4-174.3-60.5-76.3000114.5
478N34.9Very low36.7Very low160 Ų160153.8 Ų153.886%0.85681%0.805SS**  trans-142.574.9174.4-177.456.4000111.4
479E39.1Very low36.5Very low188 Ų188157 Ų15788%0.87981%0.812SS**  trans-121.7133.6164.1-74.1-149.7149.700112.6
480S32.1Very low36.3Very low100 Ų100160 Ų16070%0.69982%0.824SS**  trans61.6111.6145.2-153.50000122
481S33.2Very low36Very low108 Ų108158.2 Ų158.276%0.75582%0.821SS**  trans52.1170.3131.773.60000120
482M33.2Very low35.4Very low159 Ų159155.5 Ų155.578%0.78382%0.821SS**  cis-141179.87.7-172.9164.4167.300111.2
483E34.7Very low34.8Very low163 Ų163154.4 Ų154.476%0.76282%0.815SS**  trans-54.9163.4-178.9-60.5166.3131.200117.1
484E34.2Very low34.3Very low184 Ų184156.1 Ų156.186%0.8682%0.823SS**  trans-72.4128.3177.8174.9177.2-156.700113.1
485T31.3Very low33.4Very low140 Ų140156.6 Ų156.686%0.85983%0.828SS**  trans-142.6156.8160.738.10000111.3
486T30.1Very low32.6Very low131 Ų131150.5 Ų150.580%0.80482%0.816SS**PPolyproline II helixtrans-90.4167.2-161.937.10000114.4
487P38.1Very low31.9Very low124 Ų124155.4 Ų155.481%0.80582%0.824SS**PPolyproline II helixtrans-87.8173.8-152.134.2-37.8000117.1
488Q30.4Very low31.4Very low182 Ų182156.2 Ų156.285%0.8582%0.822SS**PPolyproline II helixtrans-49.1163162.9-74.3178.1-55.100112.5
489E29Very low31.1Very low186 Ų186152.8 Ų152.887%0.86982%0.816SS**  cis-146.415543.9-58.7177.915000115.3
490M28.1Very low30.6Very low195 Ų195153.2 Ų153.296%0.96182%0.818SS**  trans-129.5141.7150.4-82.3-161.2173.600110.7
491K27.8Very low30.4Very low180 Ų180153 Ų15378%0.78382%0.823SS**  trans-87.2135.2-163.6-176.7178.1-178177.50112
492S28.8Very low30Very low114 Ų114154 Ų15480%0.79783%0.828SS**  trans-115.4131.1164.659.90000110.2
493Q28.6Very low29.7Very low166 Ų166157.7 Ų157.778%0.77683%0.833SS**  trans-159.4134.3169.6-124.6170.5-2.500109
494I33.4Very low29.4Very low169 Ų169159.9 Ų159.987%0.86784%0.836SS**  trans-113.5149.1-178.3-66.1173.7000108.1
495Q26.8Very low29.3Very low196 Ų196160.7 Ų160.792%0.91684%0.837SS**  trans-74.1156.5177.9-63.1155.5-24.200110.5
496G27.1Very low29.4Very low63 Ų63162.4 Ų162.465%0.64984%0.835SS**  cis172.9-172.10.800000109.3
497E30.9Very low29.3Very low191 Ų191162.3 Ų162.389%0.89384%0.835SS**  trans65.8146.6165.1-65161.7-15700116.7
498E27.8Very low28.8Very low182 Ų182161.8 Ų161.885%0.8583%0.834SS**  cis-158.4-179.9-15.5-128.1-174.1-170.500111.1
499A29Very low28.6Very low88 Ų88156.6 Ų156.673%0.72783%0.829SS**  trans69.7102158.100000122.9
500E28.3Very low28.7Very low196 Ų196156.3 Ų156.392%0.91683%0.828SS**  50.4114.3117.6-168.3171.7-130.500123
501A27.1Very low28.6Very low97 Ų97151.7 Ų151.780%0.80281%0.811SS**  -174.7153.9127.300000112.4
502C25.4Very low28.5Very low128 Ų128149.4 Ų149.487%0.86581%0.812SS**  trans-110.2157.7177.3-48.80000112.5
503R27Very low28.9Very low236 Ų236151.7 Ų151.789%0.89181%0.814SS**  166.8148.997.3-153170.3-157.8-173.15.8114
504Y28.5Very low30Very low209 Ų209149 Ų14982%0.8281%0.811SS**  trans-50.9154.7174.9-68.8-99.5000117.4
505K31.3Very low29.9Very low202 Ų202145.4 Ų145.488%0.87880%0.8SS**  -160.1130117.8-110.1178.4-177.3-172.10113.5
506E34Very low30.3Very low175 Ų175144.2 Ų144.282%0.81880%0.795SS**  trans-115.4146.9163.1-63.2177.112800109
507T28.3Very low30.7Very low130 Ų130147.9 Ų147.980%0.79880%0.799SS**  trans176.3147.2164.330.20000108.2
508S27.6Very low31.1Very low112 Ų112147.4 Ų147.478%0.78380%0.797SS**  cis175.6150.6-18.1480000109.1
509G26.3Very low31.6Very low73 Ų73147.3 Ų147.375%0.75380%0.797SS**  trans102.3127177.600000113
510E30Very low32Very low181 Ų181154.7 Ų154.785%0.84681%0.806SS**  cis71.4136.819.1-113.5-156.7114.200114.1
511T27.3Very low32.5Very low97 Ų97152.9 Ų152.960%0.59580%0.797SS**  cis-158.2170.411.6-33.50000112.3
512T26Very low33Very low133 Ų133155.4 Ų155.482%0.81680%0.798SS**  trans74.2148.9150.933.70000124.2
513I35.3Very low33.5Very low162 Ų162155 Ų15583%0.83179%0.786SS**  trans-155.7134.1178.6-62.7178.2000105.6
514P53.4Low34Very low110 Ų110150.4 Ų150.471%0.71479%0.785SS**  -160.6-151.478.945.6-22.3000116
515S30.2Very low34.6Very low93 Ų93148.4 Ų148.465%0.6578%0.783SS**  trans67.8146.4157.857.30000119.6
516E36.3Very low35Very low170 Ų170145.8 Ų145.879%0.79477%0.774SS**  cis-165.1171-20.7-116.9148.7-156.500109.7
517D35.3Very low35Very low140 Ų140144.6 Ų144.675%0.74977%0.773SS**  trans51.2132.5159.8-56.3-15.9000123.9
518E37.9Very low35.3Very low181 Ų181143.2 Ų143.285%0.84676%0.761SS**  178.4153.2110.5-96.7-70.5176.400111.4
519E38.9Very low35.6Very low181 Ų181146.6 Ų146.685%0.84677%0.765SS**  trans-99.5157.8-171.4-63-176.1151.500113.6
520R36.6Very low36Very low243 Ų243147.2 Ų147.292%0.91776%0.763SS**  trans-157.4115.1150.9-161.9158.8-173.5151.63.9114.4
521E40Very low36.3Very low157 Ų157147.5 Ų147.573%0.73476%0.764SS**  trans-79.3158.3161.4-57.7-171.7138.400111.6
522D36.6Very low36.3Very low151 Ų151150.2 Ų150.281%0.80778%0.775SS**  trans-144.3134.2145.1-157.6-5.4000108.4
523N37.3Very low36.5Very low118 Ų118148 Ų14863%0.63177%0.77SS**  trans-131141.9-175.8-83.2-59.3000108.5
524T36.9Very low36.3Very low140 Ų140144.9 Ų144.986%0.85977%0.769SS**  trans-147.7103.6164.3-21.70000112.1
525E40.4Very low36Very low168 Ų168145.6 Ų145.679%0.78577%0.773SS**  trans-46.2167.3150.4-63.8160.1179.900111.6
526E39.3Very low36.1Very low146 Ų146146 Ų14668%0.68277%0.768SS**  cis-166.3164.3-13.7-113.3-173.4-153.200105.6N528E526-N528 PolarHBondContact OE2-ND2 2.98Å
527D34.2Very low36.2Very low150 Ų150147.9 Ų147.980%0.80277%0.768SS**  -164.6167.3125.2-136.7-30.8000112.4
528N36Very low36.1Very low101 Ų101149 Ų14954%0.5477%0.766SS.*  trans-128.5-175.8-153.1-71.2-86.7000115.2E526E526-N528 PolarHBondContact OE2-ND2 2.98Å
529Q34.1Very low35.7Very low184 Ų184147.3 Ų147.386%0.8676%0.762SS**  trans80.5160.1160.6-53.6172.449.600117.4
530A34.6Very low35.3Very low86 Ų86143.5 Ų143.571%0.71175%0.751SS**  cis-177.1154.6-34.500000107.1
531E34.8Very low35.2Very low186 Ų186139.3 Ų139.387%0.86974%0.742SS**  cis-169-167-20.8-101.5-127.672.100107.2
532D28.5Very low34.7Very low154 Ų154137.5 Ų137.582%0.82474%0.737SS**  trans96.7155.8140.9-1489.5000122.2
533A29.7Very low34.8Very low87 Ų87136.7 Ų136.772%0.71973%0.729SS**  trans72.6106.5160.600000121.9
534A31.3Very low34.8Very low97 Ų97134.6 Ų134.680%0.80273%0.728SS**  trans-110.1155.9144.100000109.7
535P47.6Very low34.7Very low124 Ų124137.1 Ų137.181%0.80572%0.721SS**  -153.5142.3118.935.3-16.8000118.6
536D32.8Very low34.5Very low102 Ų102134.7 Ų134.755%0.54572%0.718SS.*  trans19.7120.6131.1-174.536.2000120.7
537R37Very low34.4Very low210 Ų210136.4 Ų136.479%0.79273%0.726SS**  175.3118.7112.5-94.3163.8-161.5-179.27.5119.8
538K33.3Very low34.1Very low163 Ų163132.3 Ų132.371%0.70972%0.719SS**  43.4127.2123.7-68.3-174.2176-174.10124.5
539L29.7Very low34.2Very low146 Ų146133.8 Ų133.876%0.76473%0.727SS**  61.4151.9124.9-52.8175.7000119.5
540T30.2Very low34.2Very low101 Ų101131.2 Ų131.262%0.6271%0.713SS**  cis-169.3160.1-2.2140000111.5
541Q34.4Very low34.2Very low155 Ų155131.9 Ų131.972%0.72471%0.712SS**  trans70159.1148.8-76.6-179.4-84.700119.2
542D30.9Very low34Very low118 Ų118129.5 Ų129.563%0.63170%0.702SS**  cis-152.5166.46.7-129.8-9000114.9
543E38.8Very low34Very low134 Ų134131 Ų13163%0.62670%0.704SS**  trans54.6129.4157.5-69.4-80.1114.200120.4R545E543-R545 IonicContact OE1-NH2 3.07Å; E543-R545 IonicContact OE2-CZ 2.67Å; E543-R545 VanDerWaalsContact OE2-CZ 3.28Å; E543-R545 IonicContact OE2-NE 3.66Å; E543-R545 PolarHBondContact OE2-NE 3.09Å; E543-R545 IonicContact OE2-NH2 3.07Å; E543-R545 PolarHBondContact OE2-NH2 3.13Å
544A36.7Very low35Very low74 Ų74132.6 Ų132.661%0.61271%0.707SS**  cis-170.4-158.3-4.200000108.6
545R34.2Very low34.7Very low193 Ų193131.7 Ų131.773%0.72871%0.707SS**  cis-166.9151.12.1-138.8151.7-123.9-112.61.3110.2E543E543-R545 IonicContact OE1-NH2 3.07Å; E543-R545 IonicContact OE2-CZ 2.67Å; E543-R545 VanDerWaalsContact OE2-CZ 3.28Å; E543-R545 IonicContact OE2-NE 3.66Å; E543-R545 PolarHBondContact OE2-NE 3.09Å; E543-R545 IonicContact OE2-NH2 3.07Å; E543-R545 PolarHBondContact OE2-NH2 3.13Å
546T36.4Very low33.8Very low117 Ų117135.3 Ų135.372%0.71871%0.713SS**  trans42.4123.715649.50000121.4
547Q38.2Very low33.7Very low183 Ų183134.2 Ų134.286%0.85572%0.718SS**  cis-170.2179.9-2.6-121.4175.4-91.300108.1
548G27.8Very low33.3Very low63 Ų63133.3 Ų133.365%0.64972%0.722SS**  cis-125.1-147.50.300000112.5
549D36.8Very low33.4Very low133 Ų133133.1 Ų133.171%0.71173%0.728SS**  cis72.6120.414.2-134.448.1000113.7
550K33.8Very low34.1Very low130 Ų130131.5 Ų131.557%0.56573%0.726SS**  cis-144.4176.81.3-65.5-170.3143.4-760110.9E552K550-E552 IonicContact NZ-OE1 2.74Å; K550-E552 PolarHBondContact NZ-OE1 2.97Å; K550-E552 IonicContact NZ-OE2 2.77Å; K550-E552 PolarHBondContact NZ-OE2 3.13Å
551S35.8Very low34.3Very low99 Ų99132.2 Ų132.269%0.69273%0.731SS**  cis74.2159.613.3620000117.2
552E30.6Very low34.2Very low137 Ų137132.3 Ų132.364%0.6474%0.736SS**  cis-135.4178.116.8-77.589.7-92.600114.1K550K550-E552 IonicContact NZ-OE1 2.74Å; K550-E552 PolarHBondContact NZ-OE1 2.97Å; K550-E552 IonicContact NZ-OE2 2.77Å; K550-E552 PolarHBondContact NZ-OE2 3.13Å
553E29.3Very low34.3Very low186 Ų186130 Ų13087%0.86974%0.74SS**  trans-102.7-165.7170.1-132-173.4-159.300110.2
554P50.7Low34.1Very low120 Ų120131.7 Ų131.778%0.77975%0.753SS**  cis-133.1-160.6-20.642.2-22.4000113.9
555G24.8Very low33.9Very low78 Ų78133.9 Ų133.980%0.80476%0.759SS**  trans172.3147.3164.500000118.1
556E27.5Very low34.1Very low199 Ų199129.5 Ų129.593%0.9376%0.764SS**  trans-111.9153.4-176.4-72.1-174108.200115.7
557A31.2Very low34.1Very low79 Ų79131.8 Ų131.865%0.65377%0.767SS**  trans30.1129.9150.200000122.8
558H29.1Very low34Very low192 Ų192128.7 Ų128.789%0.88976%0.756SS**  -178.6155.4102.1-102.9-84000113.8
559L33.8Very low34.4Very low158 Ų158130.8 Ų130.883%0.82775%0.752SS**  trans-87.1157.7172.9-76.2173.3000110.8
560P45.1Very low34.4Very low112 Ų112131.3 Ų131.373%0.72775%0.748SS**  -153.9169.465.144.2-23.7000119.5
561V34.8Very low34.4Very low117 Ų117131.5 Ų131.571%0.70975%0.754SS**  trans33.5137.8130.8-179.10000118.5
562D33.1Very low34.2Very low157 Ų157134.7 Ų134.784%0.8476%0.758SS**  cis-115.5177.220.8-60.2-80.7000113.8
563G32Very low34.4Very low70 Ų70134.6 Ų134.672%0.72276%0.762SS**  cis124.789.3-5.900000115.1
564D34.2Very low35.4Very low168 Ų168130.6 Ų130.690%0.89875%0.752SS**  trans-160.5165.1155.9-132.3-27.2000112.9
565V32.6Very low34.6Very low120 Ų120133.3 Ų133.373%0.72775%0.752SS**  trans-122.9137.2-158.71750000115.4
566A39.2Very low35Very low102 Ų102136.4 Ų136.484%0.84375%0.745SS**  trans-150111.4154.600000112.3
567Q37Very low35.2Very low165 Ų165135.1 Ų135.177%0.77173%0.732SS**  trans-79.7158.6164.2-68.8166.3-49.200108.8
568D35.1Very low35.1Very low117 Ų117136.8 Ų136.863%0.62673%0.73SS**  cis-155.7-172.30.8-118.721.8000105K570D568-K570 IonicContact OD2-NZ 3.76Å; D568-K570 PolarHBondContact OD2-NZ 3.03Å; D568-K570 VanDerWaalsContact OD2-NZ 3.07Å
569D37Very low35.3Very low108 Ų108134.9 Ų134.958%0.57872%0.722SS**  cis-159.916717.2-141.4-7.9000118
570K35.5Very low35.3Very low144 Ų144134.6 Ų134.663%0.62672%0.72SS**  trans8.7151139.9-76.4167.8-146.382.30121.7D568D568-K570 IonicContact OD2-NZ 3.76Å; D568-K570 PolarHBondContact OD2-NZ 3.03Å; D568-K570 VanDerWaalsContact OD2-NZ 3.07Å
571I33.7Very low34.6Very low133 Ų133133.1 Ų133.168%0.68272%0.717SS**  cis-161.2160-13.2-131.6174.9000112.2
572E31.3Very low34.3Very low166 Ų166135 Ų13578%0.77672%0.723SS**  trans0.9144.1160.5-65.2161.2-155.700124.7
573D35.7Very low34.4Very low135 Ų135134.7 Ų134.772%0.72273%0.727SS**  trans-91.3144.4145.3-159.923.2000106
574P50Low34.2Very low102 Ų102140 Ų14066%0.66273%0.733SS**  -157.5163.259.843-21.1000120.3
575F33.3Very low34.1Very low178 Ų178136.4 Ų136.478%0.78173%0.726SS**  trans42.1142.7140.3-83-97.3000125.6
576E33.8Very low34Very low142 Ų142135 Ų13566%0.66472%0.722SS**  trans71.8152.7156.9-70.2-145.2169.200118.6
577R32.7Very low33.7Very low172 Ų172138.9 Ų138.965%0.64972%0.722SS**  cis-167.3147-10.6157.4-172.4-65.6-90.2-1.3111.1
578N28.7Very low33.3Very low115 Ų115135.4 Ų135.462%0.61572%0.716SS**  trans51.1137.4157.5-71.225.3000125.4
579E31.9Very low33.1Very low152 Ų152136.9 Ų136.971%0.7172%0.724SS**  95.5124.5126.7-83172-115.600125.7
580L33.8Very low32.8Very low151 Ų151140.6 Ų140.679%0.79174%0.738SS**  trans84.9128.8135.5-69.4172.1000124.9
581A31.2Very low32.7Very low81 Ų81139.6 Ų139.667%0.66974%0.739SS**  trans76.3113.4136.300000123.2
582D28.9Very low32.6Very low156 Ų156141 Ų14183%0.83474%0.743SS**  32.5118.3125.6-47.8-20.8000121.8
583V33.9Very low32.6Very low151 Ų151139.4 Ų139.492%0.91575%0.745SS**  trans-141154.6139.6-173.60000109.1
584E29.8Very low33Very low182 Ų182138.5 Ų138.585%0.8575%0.746SS**  trans-86.8-173.3-166-45.8-179.2118.100116.5
585A31Very low32Very low92 Ų92141.4 Ų141.476%0.7675%0.75SS**  trans81.8143.6146.600000119
586S30.9Very low31.9Very low91 Ų91139.3 Ų139.364%0.63675%0.753SS**  cis-173.3151.9-10.351.10000112.4
587H32.9Very low31.5Very low184 Ų184136.2 Ų136.285%0.85276%0.758SS**  trans60.7153.3155.2-64.3-52.6000118.3
588S28.7Very low31.7Very low91 Ų91134.7 Ų134.764%0.63677%0.768SS**  cis-153164.3-13.746.20000109.1
589D29.4Very low32.3Very low149 Ų149134.9 Ų134.980%0.79778%0.775SS**  173.5136.1115-84-3.3000111
590E31.9Very low32.3Very low185 Ų185136.1 Ų136.186%0.86478%0.781SS**  trans-89.9171.6166.9-50.8-178.413700107.7
591D32.8Very low32.3Very low123 Ų123134.6 Ų134.666%0.65878%0.783SS**  cis-165.4-177.420.3-166.310.1000110.6
592Q30.9Very low32.2Very low162 Ų162138.5 Ų138.576%0.75779%0.793SS**  trans74.2113152.9-81.8154.972.400120.4
593V33.3Very low32.3Very low134 Ų134136 Ų13681%0.81279%0.794SS**  trans-93.4153.8146.6-150.50000107.6
594P42.7Very low32.3Very low115 Ų115137.2 Ų137.275%0.74779%0.79SS**  -148.6148.4101.536.9-20.3000117.1
595E30.4Very low32.3Very low163 Ų163137 Ų13776%0.76279%0.789SS**  trans46.9123.8141.4-65.8-152.9118.400124.6
596T30Very low32.4Very low135 Ų135136.1 Ų136.183%0.82878%0.782SS**  trans74.3130.9136.861.90000121.4
597G26.8Very low32.2Very low76 Ų76139.7 Ų139.778%0.78479%0.794SS**  trans162.2114.9165.300000113.7
598V35Very low31.9Very low141 Ų141134.1 Ų134.186%0.85579%0.786SS**  trans-140.6124.6170.1169.60000106.4
599P42.8Very low32Very low118 Ų118134.2 Ų134.277%0.76679%0.786SS**  -147-178.6106.839.5-22.5000116
600E30.7Very low31.9Very low179 Ų179135.2 Ų135.284%0.83679%0.788SS**  trans-67.5161.1-174.7-53.5138.5126.100115.1
601S33.3Very low31.9Very low118 Ų118131.8 Ų131.883%0.82578%0.78SS**  -177.7158.5113.653.40000112.5
602D30.3Very low31.8Very low163 Ų163134.6 Ų134.687%0.87279%0.786SS**  trans-89.4157.3-170.8-38.7-100.3000114.8
603A31.8Very low31.8Very low104 Ų104134.5 Ų134.586%0.8679%0.785SS**  trans-157.3151.5149.800000111.5
604E32.5Very low31.5Very low176 Ų176134.8 Ų134.882%0.82278%0.782SS**  trans-115.6-173.1-172.4-93.7-90.2-154.300112
605E30.8Very low31.1Very low178 Ų178138.3 Ų138.383%0.83279%0.789SS**  trans79.5149166.2-55.4-84.113600117.5
606A32.5Very low31.1Very low74 Ų74135 Ų13561%0.61279%0.79SS**  cis-173.2-177.4-21.100000110.7
607D26.3Very low31.1Very low166 Ų166133.2 Ų133.289%0.88879%0.789SS**  trans67.8149.1170.8-130.510.8000114.5
608G27.7Very low31.2Very low67 Ų67134.9 Ų134.969%0.69179%0.788SS**  cis139.81591400000107.8
609S29.7Very low30.8Very low93 Ų93133.8 Ų133.865%0.6578%0.782SS**  cis-170.1156-8.8178.50000107.9
610M26.6Very low30Very low170 Ų170134.3 Ų134.384%0.83778%0.783SS**  trans63.5169.2159.2-81.1162.737.300118.4
611V33.6Very low29.9Very low112 Ų112131.2 Ų131.268%0.67978%0.78SS**  cis-172.5161.8-44.7124.30000107.9
612K31Very low29.7Very low182 Ų182133.9 Ų133.979%0.79178%0.78SS**  trans77160.3174.6-72.7157.1-174.61790117.6
613H30.5Very low30.2Very low160 Ų160131.9 Ų131.974%0.74178%0.776SS**  cis-173.7175.1-39.5-134.3-102.4000110.6
614D27.4Very low30Very low141 Ų141134.4 Ų134.475%0.75477%0.77SS**  trans84.4171.7156.1-54.4-30.6000121.4
615E32.6Very low29.7Very low188 Ų188133.1 Ų133.188%0.87977%0.774SS**  trans-110.4164.4-145.2-46.9176100.200116.2
616A32.1Very low29.6Very low95 Ų95134 Ų13479%0.78578%0.776SS**  167.5124.1110.300000117.1
617A30.2Very low29.4Very low97 Ų97133.5 Ų133.580%0.80278%0.778SS**  trans54.9148.6135.600000126.2
618S27.1Very low29.7Very low110 Ų110130.4 Ų130.477%0.76978%0.775SS**  trans74.7144.5150.8-98.10000121.3
619T26.6Very low29.9Very low119 Ų119136.6 Ų136.673%0.7379%0.786SS**  cis-163.6148.5-22.25.80000111.9
620V27.3Very low30Very low129 Ų129139.6 Ų139.678%0.78279%0.794SS**  trans50.9114.5148.2179.40000121
621S27.3Very low30.2Very low113 Ų113140.6 Ų140.679%0.7980%0.796SS**  173.1135.9119-73.60000113.2
622E29.8Very low30.3Very low174 Ų174143.6 Ų143.681%0.81380%0.803SS**  trans-121.8169.8154.2-58.1-169162.500107.9
623P40.4Very low30.8Very low122 Ų122143.3 Ų143.379%0.79280%0.804SS**  -141.6145.681.135.9-19.2000116.5
624E28Very low31.3Very low157 Ų157146.9 Ų146.973%0.73481%0.811SS**  trans25.3137.8140.9-55-170.6173.500122.3
625T27Very low31.8Very low148 Ų148147.5 Ų147.591%0.90881%0.814SS**  trans-126.9132.3142.834.70000110.3
626F27.9Very low32.3Very low197 Ų197142.9 Ų142.986%0.86481%0.808SS**  trans-88.9147.2-173.1-154.8-93.3000111.3
627G28.7Very low32.8Very low64 Ų64145.9 Ų145.966%0.6681%0.811SS**  trans-105.4150174.700000112.5
628A31.4Very low33.5Very low101 Ų101149.3 Ų149.384%0.83581%0.811SS**  trans-136.8125.5170.800000110.4
629E32.4Very low34.1Very low197 Ų197152.4 Ų152.492%0.92181%0.813SS**  trans-84.5157.4171.5-65.9-176.7123.900110.9
630I31.3Very low35.2Very low156 Ų156151.7 Ų151.780%0.881%0.808SS**  trans-94.4136.5175.5-63.6170.9000109.3
631Q31.3Very low36Very low191 Ų191153 Ų15389%0.89381%0.806SS**  trans-121.7144.9158.2-74.5-169.1-7.400109.8
632E35.6Very low36.9Very low174 Ų174154.8 Ų154.881%0.81380%0.802SS**  trans-93.2172.7-170-66.5174.9117.800113.7
633E42.7Very low37.7Very low177 Ų177151 Ų15183%0.82779%0.79SS**  trans60.583.3154.6-71.9-178.2-179.800118.8
634R39.8Very low38.1Very low235 Ų235152.6 Ų152.689%0.88779%0.787SS**  -161.4155.8127.4-106.7158.2-170.51635.8111.3
635N38.5Very low39Very low153 Ų153150.4 Ų150.482%0.81878%0.781SS**  trans81.983.6-178.7-51.33.3000115
636A43.6Very low39.9Very low91 Ų91150.8 Ų150.875%0.75277%0.772SS**  trans-155.323.7167.100000112.7
637N41.2Very low40.8Very low159 Ų159147.3 Ų147.385%0.8576%0.762SS**SBendtrans-129.913.9-166.5-91.367.1000113.6
638E45.3Very low41.7Very low169 Ų169151.5 Ų151.579%0.7976%0.762SS**SBendtrans-120.4-13.5-168.9-154.9156.6-159.400113.4
639E40.6Very low42.6Very low175 Ų175150.2 Ų150.282%0.81875%0.752SS**SBendtrans-92.89.8178.5-62.9-179.5152.500113.8
640V48.9Very low43.3Very low103 Ų103148.8 Ų148.862%0.62475%0.745SS**SBendtrans-101.1-21.8-175.4-1760000112.9
641E44.6Very low44.1Very low156 Ų156145.1 Ų145.173%0.72973%0.733SS**THydrogen-bonded Turntrans-86.4-15.5179.7-71.9-165.2149.500114.4N645E641-N645 PolarHBondContact O-ND2 3.42Å
642E45.8Very low45Very low151 Ų151142.6 Ų142.671%0.70673%0.726SS**THydrogen-bonded Turntrans-76.9-40179.9-65.3-164.6134.600112.5E644 N645E642-E644 VanDerWaalsContact C-N 3.34Å; E642-E644 PolarHBondContact O-N 2.79Å; E642-N645 PolarHBondContact O-N 3.37Å
643V46.9Very low45.7Very low95 Ų95143.4 Ų143.458%0.57673%0.727SS**Hα-helixtrans-70.6-26.9-177.2-173.10000112.9N645 N647V643-N645 VanDerWaalsContact C-N 3.33Å; V643-N647 PolarHBondContact O-ND2 3.02Å
644E47.9Very low45.9Very low156 Ų156144 Ų14473%0.72973%0.73SS**Hα-helixtrans-78.3-13.6174.9-67.7-160.7156.800113.7E642E642-E644 VanDerWaalsContact C-N 3.34Å; E642-E644 PolarHBondContact O-N 2.79Å
645N47.1Very low46Very low111 Ų111143.8 Ų143.859%0.59475%0.746SS**Hα-helixtrans-91.3-33.9-179.9-82.5-69.8000113.8E641 E642 V643 K648E641-N645 PolarHBondContact O-ND2 3.42Å; E642-N645 PolarHBondContact O-N 3.37Å; V643-N645 VanDerWaalsContact C-N 3.33Å; N645-K648 PolarHBondContact O-N 2.67Å
646E46.3Very low46.4Very low155 Ų155143.3 Ų143.372%0.72474%0.743SS**Hα-helixtrans-67-40.3176.8-65.3-166.9137.200112.1K648 A649E646-K648 PolarHBondContact O-N 3.07Å; E646-A649 WeakPolarHBondContact O-CB 3.33Å; E646-A649 PolarHBondContact O-N 3.07Å
647N47.8Very low46.5Very low124 Ų124146.1 Ų146.166%0.66374%0.742SS**THydrogen-bonded Turntrans-65-0.1177.3-73.4-82.4000114.5V643V643-N647 PolarHBondContact O-ND2 3.02Å
648K47Very low46.8Very low152 Ų152145.3 Ų145.366%0.66174%0.736SS**THydrogen-bonded Turntrans-109.8-6.7174.4-163.9173.7177.5-176.90113.2N645 E646 S651N645-K648 PolarHBondContact O-N 2.67Å; E646-K648 PolarHBondContact O-N 3.07Å; K648-S651 PolarHBondContact O-OG 2.77Å
649A49.4Very low46.9Very low74 Ų74143.9 Ų143.961%0.61273%0.733SS**THydrogen-bonded Turntrans-84.2-30.317800000112.9E646E646-A649 WeakPolarHBondContact O-CB 3.33Å; E646-A649 PolarHBondContact O-N 3.07Å
650E46.8Very low47.3Very low168 Ų168142 Ų14279%0.78573%0.728SS**G310 helixtrans-82.7-18.8-179.3-64.1-167.7135.600113.7D652E650-D652 PolarHBondContact O-N 2.74Å
651S50Low47.2Very low78 Ų78144.6 Ų144.655%0.54573%0.734SS.*G310 helixtrans-71.6-12.4-178.662.80000115K648K648-S651 PolarHBondContact O-OG 2.77Å
652D49.5Very low47.4Very low138 Ų138143.8 Ų143.874%0.73874%0.735SS**G310 helixtrans-101.810.4-176-75.410.8000112.7E650E650-D652 PolarHBondContact O-N 2.74Å
653F49.3Very low47.5Very low191 Ų191143.2 Ų143.284%0.83874%0.737SS**SBendtrans-119.4-1.3-177.5-124.2-84.1000116.6
654E47.7Very low47.6Very low189 Ų189147.3 Ų147.388%0.88375%0.751SS**  trans-118.889.9165.7-72.6-159.4142.200110.9
655N42.1Very low47.5Very low231 Ų231146.5 Ų146.5100%1.23575%0.753SS**  trans-157.20174.3-156.114000110.7

Retrieved 655 of 655 residues in 407.4 ms (Link to these results)