A0A3Q0KGF9_SCHMA Loading...

Putative camp-dependent protein kinase regulatory subunit

AlphaFold DB , UniProt , Accession A0A3Q0KGF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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
1M51.9Low68.7Low230 Ų230143.5 Ų143.5100%1.13371%0.708SS**  01320-68.4-165.4-116.600107.6I3M1-I3 PolarHBondContact O-N 3.27Å
2P64.2Low69.4Low129 Ų129144.3 Ų144.384%0.83871%0.708SS**  trans-61.7126.317325.4-30.3000108.3S4P2-S4 PolarHBondContact O-N 3.11Å; P2-S4 VanDerWaalsContact O-N 3.11Å
3I65.1Low70.3Confident152 Ų152141.9 Ų141.978%0.77970%0.695SS**  trans-63.3113.2170.7-50.5168.5000104.7M1 N5M1-I3 PolarHBondContact O-N 3.27Å; I3-N5 PolarHBondContact O-N 3.34Å; I3-N5 VanDerWaalsContact O-N 3.08Å
4S71.2Confident71.2Confident58 Ų58140.4 Ų140.441%0.40669%0.69SS.*  trans-61.5114.4174.7177.90000108P2 Y6P2-S4 PolarHBondContact O-N 3.11Å; P2-S4 VanDerWaalsContact O-N 3.11Å; S4-Y6 PolarHBondContact O-N 3.08Å; S4-Y6 PolarHBondContact OG-N 3.4Å
5N67.9Low72.3Confident157 Ų157142 Ų14284%0.8470%0.695SS**  trans-76.12.4174.3-87.2-10.4000112.7I3I3-N5 PolarHBondContact O-N 3.34Å; I3-N5 VanDerWaalsContact O-N 3.08Å
6Y68.8Low73.2Confident188 Ų188139.9 Ų139.974%0.73769%0.686SS**SBendtrans-70.7131.8171.9-70.9-79000108.9S4 Y8S4-Y6 PolarHBondContact O-N 3.08Å; S4-Y6 PolarHBondContact OG-N 3.4Å; Y6-Y8 PolarHBondContact O-N 2.9Å
7P70.7Confident74.4Confident83 Ų83136.2 Ų136.254%0.53968%0.675SS.*  trans-52.91221753.9-7.8000109Y9P7-Y9 VanDerWaalsContact C-N 3.3Å; P7-Y9 HydrophobicContact CB-CD2 4.24Å; P7-Y9 HydrophobicContact CB-CE2 3.81Å; P7-Y9 HydrophobicContact CG-CD2 4.45Å; P7-Y9 HydrophobicContact CG-CE2 3.68Å; P7-Y9 WeakPolarHBondContact O-CD2 3.37Å; P7-Y9 PolarHBondContact O-N 3.06Å
8Y72.4Confident75.6Confident190 Ų190135.7 Ų135.775%0.74568%0.684SS**  trans-66.195.8169.3-86.2-89.6000107.3Y6 C10 Q13Y6-Y8 PolarHBondContact O-N 2.9Å; Y8-C10 PolarHBondContact O-N 3.47Å; Y8-Q13 PolarHBondContact O-NE2 2.93Å; Y8-Q13 PolarHBondContact O-OE1 3.11Å; Y8-Q13 VanDerWaalsContact O-OE1 3.08Å
9Y71.5Confident76.6Confident200 Ų200131.4 Ų131.478%0.78467%0.671SS**  trans-80.3104.4166.3-69.1-74.3000108.1P7P7-Y9 VanDerWaalsContact C-N 3.3Å; P7-Y9 HydrophobicContact CB-CD2 4.24Å; P7-Y9 HydrophobicContact CB-CE2 3.81Å; P7-Y9 HydrophobicContact CG-CD2 4.45Å; P7-Y9 HydrophobicContact CG-CE2 3.68Å; P7-Y9 WeakPolarHBondContact O-CD2 3.37Å; P7-Y9 PolarHBondContact O-N 3.06Å
10C75.8Confident77.5Confident47 Ų47128.3 Ų128.332%0.31866%0.655SS.*  trans-98.5141.9169.1-171.20000108.8Y8 E12 Q13Y8-C10 PolarHBondContact O-N 3.47Å; C10-E12 PolarHBondContact O-N 3.01Å; C10-E12 VanDerWaalsContact O-N 3.11Å; C10-Q13 WeakPolarHBondContact O-CB 3.32Å; C10-Q13 PolarHBondContact O-N 3.06Å
11H76.3Confident78.4Confident145 Ų145125.8 Ų125.867%0.67165%0.648SS**G310 helixtrans-57.5-25.7177.161.1-78.6000112.9Q13 I14H11-Q13 PolarHBondContact O-N 3.23Å; H11-I14 WeakPolarHBondContact O-CB 3.41Å; H11-I14 PolarHBondContact O-N 3.08Å
12E76.8Confident80.5Confident152 Ų152119.3 Ų119.371%0.7162%0.618SS**G310 helixtrans-61.9-20.7173.1-62.2174154.600113.6C10 I14C10-E12 PolarHBondContact O-N 3.01Å; C10-E12 VanDerWaalsContact O-N 3.11Å; E12-I14 VanDerWaalsContact C-N 3.34Å
13Q81.6Confident82.1Confident114 Ų114116.7 Ų116.753%0.53360%0.596SS.*G310 helixtrans-80.9-15.9175.8-63.6168.4-37.500112.6Y8 C10 H11 Q15Y8-Q13 PolarHBondContact O-NE2 2.93Å; Y8-Q13 PolarHBondContact O-OE1 3.11Å; Y8-Q13 VanDerWaalsContact O-OE1 3.08Å; C10-Q13 WeakPolarHBondContact O-CB 3.32Å; C10-Q13 PolarHBondContact O-N 3.06Å; H11-Q13 PolarHBondContact O-N 3.23Å; Q13-Q15 PolarHBondContact O-N 3.05Å
14I83.4Confident83.6Confident121 Ų121113.5 Ų113.562%0.62158%0.58SS**  trans-75.998.9177.4-55.9175.6000107.6H11 E12 I16H11-I14 WeakPolarHBondContact O-CB 3.41Å; H11-I14 PolarHBondContact O-N 3.08Å; E12-I14 VanDerWaalsContact C-N 3.34Å; I14-I16 HydrophobicContact CG2-CG1 4.17Å; I14-I16 PolarHBondContact O-N 3.28Å
15Q86.6Confident84.8Confident164 Ų164116.6 Ų116.677%0.76659%0.586SS**  trans-70.697.6172.3-64.2-65.2-3200108.9Q13 P17Q13-Q15 PolarHBondContact O-N 3.05Å; Q15-P17 WeakPolarHBondContact O-CD 3.31Å
16I87.9Confident86.2Confident108 Ų108114.1 Ų114.155%0.55457%0.57SS**  trans-77.8120.2172.5-60.5177.2000107.9I14 L20I14-I16 HydrophobicContact CG2-CG1 4.17Å; I14-I16 PolarHBondContact O-N 3.28Å; I16-L20 HydrophobicContact CG2-CB 4.19Å; I16-L20 HydrophobicContact CG2-CD2 3.84Å
17P93.7Very high87.6Confident78 Ų78107 Ų10751%0.50654%0.542SS..  trans-58133.2175.4-2434.5000110.5Q15 A19 L20Q15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-A19 PolarHBondContact O-N 2.93Å; P17-L20 VanDerWaalsContact O-CB 3.31Å; P17-L20 WeakPolarHBondContact O-CB 3.49Å; P17-L20 PolarHBondContact O-N 3.05Å
18P94.5Very high88.9Confident127 Ų127106.5 Ų106.583%0.82554%0.538SS*.THydrogen-bonded Turntrans-61.3-22.2-176.222.7-33.6000113.3P21P18-P21 WeakPolarHBondContact O-CD 3.35Å
19A95Very high90Very high53 Ų53103.3 Ų103.344%0.43853%0.528SS..THydrogen-bonded Turntrans-80.4-16.4176.300000114.1P17 D22 I23P17-A19 PolarHBondContact O-N 2.93Å; A19-D22 PolarHBondContact O-N 3.3Å; A19-I23 HydrophobicContact CB-CD1 4.27Å; A19-I23 WeakPolarHBondContact O-CG1 3.36Å; A19-I23 PolarHBondContact O-N 3.49Å
20L95.2Very high91.2Very high69 Ų6994.1 Ų94.136%0.36149%0.493SS..Hα-helixtrans-58.3-46.2-174.2-179.566.3000113.1I16 P17 D22 I23 L24I16-L20 HydrophobicContact CG2-CB 4.19Å; I16-L20 HydrophobicContact CG2-CD2 3.84Å; P17-L20 VanDerWaalsContact O-CB 3.31Å; P17-L20 WeakPolarHBondContact O-CB 3.49Å; P17-L20 PolarHBondContact O-N 3.05Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 2.99Å; L20-I23 PolarHBondContact O-N 3.43Å; L20-L24 HydrophobicContact CD1-CD1 4.29Å; L20-L24 HydrophobicContact CD1-CD2 4.49Å; L20-L24 HydrophobicContact CD1-CG 4.14Å; L20-L24 HydrophobicContact CG-CD1 4.13Å; L20-L24 HydrophobicContact CG-CG 4.37Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 3Å
21P95.8Very high92.2Very high77 Ų7792.9 Ų92.950%0.549%0.486SS..Hα-helixtrans-58.5-40178.9-25.236000113.3P18 L24 K25P18-P21 WeakPolarHBondContact O-CD 3.35Å; P21-L24 PolarHBondContact O-N 3.26Å; P21-K25 WeakPolarHBondContact O-CB 3.49Å; P21-K25 PolarHBondContact O-N 3.33Å
22D96.7Very high93.1Very high93 Ų9391.1 Ų91.150%0.49748%0.481SS..Hα-helixtrans-70.9-39.2179.1-77.2-31.9000112.1A19 L20 K25 Q26A19-D22 PolarHBondContact O-N 3.3Å; L20-D22 VanDerWaalsContact C-N 3.3Å; L20-D22 PolarHBondContact O-N 2.99Å; D22-K25 PolarHBondContact O-N 3.05Å; D22-Q26 WeakPolarHBondContact O-CB 3.36Å; D22-Q26 WeakPolarHBondContact O-CG 3.38Å; D22-Q26 PolarHBondContact O-N 3Å
23I96.6Very high93.9Very high74 Ų7488.8 Ų88.838%0.37947%0.466SS..Hα-helixtrans-58.6-49173.7-68.9166.7000110.1A19 L20 K25 Q26 F27 F47A19-I23 HydrophobicContact CB-CD1 4.27Å; A19-I23 WeakPolarHBondContact O-CG1 3.36Å; A19-I23 PolarHBondContact O-N 3.49Å; L20-I23 PolarHBondContact O-N 3.43Å; I23-K25 VanDerWaalsContact C-N 3.33Å; I23-K25 PolarHBondContact O-N 3.26Å; I23-Q26 PolarHBondContact O-N 3.31Å; I23-F27 WeakPolarHBondContact O-CB 3.34Å; I23-F27 PolarHBondContact O-N 3.41Å; I23-F47 HydrophobicContact CG2-CE1 3.93Å
24L97.1Very high94.4Very high86 Ų8683.6 Ų83.645%0.4544%0.442SS..Hα-helixtrans-61.9-41.9178.9-66.5178000111.5L20 P21 F27 T28L20-L24 HydrophobicContact CD1-CD1 4.29Å; L20-L24 HydrophobicContact CD1-CD2 4.49Å; L20-L24 HydrophobicContact CD1-CG 4.14Å; L20-L24 HydrophobicContact CG-CD1 4.13Å; L20-L24 HydrophobicContact CG-CG 4.37Å; L20-L24 WeakPolarHBondContact O-CG 3.32Å; L20-L24 PolarHBondContact O-N 3Å; P21-L24 PolarHBondContact O-N 3.26Å; L24-F27 PolarHBondContact O-N 2.9Å; L24-T28 PolarHBondContact O-N 2.88Å; L24-T28 PolarHBondContact O-OG1 3.41Å
25K97.6Very high94.9Very high122 Ų12282.8 Ų82.853%0.5344%0.435SS..Hα-helixtrans-62.2-44176.3-178.4-179.6-179.7-179.60112.4P21 D22 I23 K29P21-K25 WeakPolarHBondContact O-CB 3.49Å; P21-K25 PolarHBondContact O-N 3.33Å; D22-K25 PolarHBondContact O-N 3.05Å; I23-K25 VanDerWaalsContact C-N 3.33Å; I23-K25 PolarHBondContact O-N 3.26Å; K25-K29 WeakPolarHBondContact O-CG 3.4Å; K25-K29 PolarHBondContact O-N 2.89Å; K25-K29 VanDerWaalsContact O-N 3.12Å
26Q97.4Very high95.1Very high106 Ų10676.3 Ų76.350%0.49541%0.407SS..Hα-helixtrans-66.5-43.1177.7-71.9-179.824.200111.4D22 I23 K29 A30D22-Q26 WeakPolarHBondContact O-CB 3.36Å; D22-Q26 WeakPolarHBondContact O-CG 3.38Å; D22-Q26 PolarHBondContact O-N 3Å; I23-Q26 PolarHBondContact O-N 3.31Å; Q26-K29 PolarHBondContact O-N 3.44Å; Q26-A30 WeakPolarHBondContact O-CB 3.39Å; Q26-A30 PolarHBondContact O-N 3.12Å
27F97.7Very high95.3Very high37 Ų3778.1 Ų78.116%0.16241%0.411CS..Hα-helixtrans-56.8-49.5174.1167.2-100.9000111.7I23 L24 K29 A30 A31 W42 S43 Y46 F47I23-F27 WeakPolarHBondContact O-CB 3.34Å; I23-F27 PolarHBondContact O-N 3.41Å; L24-F27 PolarHBondContact O-N 2.9Å; F27-K29 PolarHBondContact O-N 3.46Å; F27-A30 WeakPolarHBondContact O-CB 3.29Å; F27-A30 PolarHBondContact O-N 3.06Å; F27-A31 PolarHBondContact O-N 3.34Å; F27-W42 HydrophobicContact CD2-CH2 4.38Å; F27-W42 AromaticContact CD2-CZ3 3.91Å; F27-W42 HydrophobicContact CD2-CZ3 3.91Å; F27-W42 HydrophobicContact CE2-CE3 4.16Å; F27-W42 HydrophobicContact CE2-CH2 4.34Å; F27-W42 AromaticContact CE2-CZ3 3.45Å; F27-W42 HydrophobicContact CE2-CZ3 3.45Å; F27-W42 VanDerWaalsContact CE2-CZ3 3.45Å; F27-W42 HydrophobicContact CZ-CZ3 4.16Å; F27-S43 WeakPolarHBondContact CE2-OG 3.32Å; F27-S43 VanDerWaalsContact CZ-OG 3.23Å; F27-S43 WeakPolarHBondContact CZ-OG 3.32Å; F27-Y46 HydrophobicContact CB-CE1 3.98Å; F27-Y46 AromaticContact CD2-CD1 3.7Å; F27-Y46 HydrophobicContact CD2-CD1 3.7Å; F27-Y46 AromaticContact CD2-CE1 3.9Å; F27-Y46 HydrophobicContact CD2-CE1 3.9Å; F27-Y46 HydrophobicContact CD2-CG 4.23Å; F27-Y46 HydrophobicContact CE2-CD1 4.46Å; F27-Y46 HydrophobicContact CG-CE1 4.46Å; F27-F47 HydrophobicContact CB-CZ 4.09Å; F27-F47 HydrophobicContact CD1-CZ 4.41Å; F27-F47 HydrophobicContact CD2-CE1 4.45Å; F27-F47 AromaticContact CD2-CE2 3.66Å; F27-F47 HydrophobicContact CD2-CE2 3.66Å; F27-F47 AromaticContact CD2-CZ 3.58Å; F27-F47 HydrophobicContact CD2-CZ 3.58Å; F27-F47 AromaticContact CE2-CE2 3.67Å; F27-F47 HydrophobicContact CE2-CE2 3.67Å; F27-F47 HydrophobicContact CE2-CZ 4.07Å; F27-F47 HydrophobicContact CG-CE2 4.22Å; F27-F47 AromaticContact CG-CZ 3.76Å; F27-F47 HydrophobicContact CG-CZ 3.76Å; F27-F47 HydrophobicContact CZ-CE2 4.28Å
28T97.2Very high95.3Very high73 Ų7377.7 Ų77.745%0.44841%0.405SS..Hα-helixtrans-60.9-43.4178.5-56.70000111.9L24 A30 A31 I32L24-T28 PolarHBondContact O-N 2.88Å; L24-T28 PolarHBondContact O-OG1 3.41Å; T28-A30 VanDerWaalsContact C-N 3.33Å; T28-A30 PolarHBondContact O-N 3.3Å; T28-A31 PolarHBondContact O-N 2.92Å; T28-I32 HydrophobicContact CG2-CD1 3.97Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.23Å; T28-I32 PolarHBondContact O-N 3.11Å
29K96.4Very high95.4Very high124 Ų12475.4 Ų75.454%0.53939%0.388SS..Hα-helixtrans-61.6-41.6175.5-74-179.9176.4-169.70112.1K25 Q26 F27 I32 R33K25-K29 WeakPolarHBondContact O-CG 3.4Å; K25-K29 PolarHBondContact O-N 2.89Å; K25-K29 VanDerWaalsContact O-N 3.12Å; Q26-K29 PolarHBondContact O-N 3.44Å; F27-K29 PolarHBondContact O-N 3.46Å; K29-I32 PolarHBondContact O-N 3Å; K29-R33 WeakPolarHBondContact O-CG 3.36Å; K29-R33 PolarHBondContact O-N 3.25Å
30A96.4Very high95.5Very high6 Ų679.8 Ų79.85%0.0540%0.403CS..Hα-helixtrans-64.8-41.2178.100000111.8Q26 F27 T28 R33 T34 W42 Y46 V58Q26-A30 WeakPolarHBondContact O-CB 3.39Å; Q26-A30 PolarHBondContact O-N 3.12Å; F27-A30 WeakPolarHBondContact O-CB 3.29Å; F27-A30 PolarHBondContact O-N 3.06Å; T28-A30 VanDerWaalsContact C-N 3.33Å; T28-A30 PolarHBondContact O-N 3.3Å; A30-R33 PolarHBondContact O-N 2.8Å; A30-T34 VanDerWaalsContact O-CB 3.3Å; A30-T34 WeakPolarHBondContact O-CB 3.46Å; A30-T34 PolarHBondContact O-N 3Å; A30-T34 PolarHBondContact O-OG1 3.48Å; A30-W42 HydrophobicContact CB-CH2 3.74Å; A30-W42 HydrophobicContact CB-CZ2 4.07Å; A30-Y46 HydrophobicContact CB-CD2 4.25Å; A30-Y46 HydrophobicContact CB-CE2 3.65Å; A30-V58 HydrophobicContact CB-CB 4.35Å; A30-V58 HydrophobicContact CB-CG1 3.6Å; A30-V58 HydrophobicContact CB-CG2 3.72Å
31A96.2Very high95.5Very high21 Ų2180 Ų8017%0.17440%0.401CS..Hα-helixtrans-63.8-46.3176.500000111.5F27 T28 R33 T34 Q35 P36 W42F27-A31 PolarHBondContact O-N 3.34Å; T28-A31 PolarHBondContact O-N 2.92Å; A31-R33 PolarHBondContact O-N 2.88Å; A31-T34 PolarHBondContact O-N 3.46Å; A31-Q35 PolarHBondContact O-N 2.97Å; A31-P36 WeakPolarHBondContact O-CD 3.36Å; A31-W42 HydrophobicContact CB-CE3 4.45Å; A31-W42 HydrophobicContact CB-CH2 3.89Å; A31-W42 HydrophobicContact CB-CZ3 3.63Å; A31-W42 VanDerWaalsContact N-CH2 3.28Å
32I94.4Very high95.6Very high109 Ų10976.4 Ų76.456%0.55938%0.378SS*.Hα-helixtrans-58.7-46.5177.5-70166.1000111.1T28 K29 Q35 L62T28-I32 HydrophobicContact CG2-CD1 3.97Å; T28-I32 VanDerWaalsContact O-CG1 3.29Å; T28-I32 WeakPolarHBondContact O-CG1 3.23Å; T28-I32 PolarHBondContact O-N 3.11Å; K29-I32 PolarHBondContact O-N 3Å; I32-Q35 WeakPolarHBondContact O-CG 3.3Å; I32-L62 WeakPolarHBondContact O-CD1 3.47Å
33R93.8Very high95.7Very high103 Ų10372.8 Ų72.839%0.38936%0.36SS..Hα-helixtrans-64.3-41.7178.5-78.1165.646.8153.1-21112.3K29 A30 A31 K59 E60K29-R33 WeakPolarHBondContact O-CG 3.36Å; K29-R33 PolarHBondContact O-N 3.25Å; A30-R33 PolarHBondContact O-N 2.8Å; A31-R33 PolarHBondContact O-N 2.88Å; R33-K59 PolarHBondContact NE-O 2.75Å; R33-K59 PolarHBondContact NH2-O 2.94Å; R33-E60 VanDerWaalsContact CZ-C 3.47Å; R33-E60 PolarHBondContact NE-O 2.86Å; R33-E60 PolarHBondContact NH1-O 2.97Å; R33-E60 PolarHBondContact NH2-O 3.16Å; R33-E60 VanDerWaalsContact NH2-O 3.11Å
34T93.7Very high95.8Very high5 Ų576.4 Ų76.43%0.03137%0.37CS..Hα-helixtrans-79.6-30.8-171.5-530000112.8A30 A31 W42 V58 K59 I82A30-T34 VanDerWaalsContact O-CB 3.3Å; A30-T34 WeakPolarHBondContact O-CB 3.46Å; A30-T34 PolarHBondContact O-N 3Å; A30-T34 PolarHBondContact O-OG1 3.48Å; A31-T34 PolarHBondContact O-N 3.46Å; T34-W42 HydrophobicContact CG2-CZ2 4.5Å; T34-V58 WeakPolarHBondContact OG1-CA 3.28Å; T34-K59 HydrophobicContact CG2-CG 4.22Å; T34-K59 WeakPolarHBondContact O-CE 3.17Å; T34-K59 PolarHBondContact OG1-N 3.38Å; T34-I82 HydrophobicContact CG2-CD1 4.23Å
35Q92.1Very high95.8Very high104 Ų10472.5 Ų72.549%0.48635%0.35SS..  trans47.657.4-173.2-60-179.297.400111.8A31 I32 L62 E63A31-Q35 PolarHBondContact O-N 2.97Å; I32-Q35 WeakPolarHBondContact O-CG 3.3Å; Q35-L62 HydrophobicContact CG-CD1 3.65Å; Q35-E63 PolarHBondContact NE2-O 3.17Å; Q35-E63 VanDerWaalsContact NE2-O 3.1Å
36P92.6Very high95.8Very high27 Ų2767.1 Ų67.118%0.17533%0.326CS..  trans-65.7137.7-175.929.1-34.9000111.2A31 V39 W42A31-P36 WeakPolarHBondContact O-CD 3.36Å; P36-V39 HydrophobicContact CG-CG2 4.16Å; P36-W42 HydrophobicContact CB-CB 3.48Å; P36-W42 VanDerWaalsContact CB-CB 3.48Å; P36-W42 HydrophobicContact CB-CD2 4.04Å; P36-W42 HydrophobicContact CB-CG 3.46Å; P36-W42 VanDerWaalsContact CB-CG 3.46Å; P36-W42 HydrophobicContact CG-CB 3.99Å; P36-W42 HydrophobicContact CG-CD2 3.81Å; P36-W42 HydrophobicContact CG-CE3 4.01Å; P36-W42 HydrophobicContact CG-CG 3.79Å
37K90.6Very high95.9Very high147 Ų14766 Ų6664%0.63932%0.32SS*.SBendtrans-62.8-43.6175.6-67.3-175.8178.4-1760111.7
38D94.4Very high95.9Very high69 Ų6966.9 Ų66.937%0.36932%0.323SS..SBendtrans-112.2102172.2-176.3-22.2000109L40 K41 W42 S106D38-L40 VanDerWaalsContact C-N 3.33Å; D38-L40 PolarHBondContact O-N 3.45Å; D38-L40 PolarHBondContact OD1-N 3.43Å; D38-K41 HydrophobicContact CB-CB 4.05Å; D38-K41 VanDerWaalsContact CG-CB 3.48Å; D38-K41 PolarHBondContact OD1-N 3.48Å; D38-K41 WeakPolarHBondContact OD2-CB 3.4Å; D38-W42 WeakPolarHBondContact O-CB 3.34Å; D38-W42 PolarHBondContact O-N 2.98Å; D38-S106 WeakPolarHBondContact CB-OG 3.4Å
39V95.6Very high95.9Very high78 Ų7863.4 Ų63.447%0.47330%0.303SS..Hα-helixtrans-64.7-37.2-178.5179.70000111.3P36 S43P36-V39 HydrophobicContact CG-CG2 4.16Å; V39-S43 WeakPolarHBondContact O-CB 3.46Å; V39-S43 PolarHBondContact O-N 3.32Å; V39-S43 PolarHBondContact O-OG 3.39Å
40L97.1Very high95.9Very high145 Ų14561.6 Ų61.676%0.75930%0.297SS*.Hα-helixtrans-69.9-47.9-175.8-69.9178.5000110.9D38 S43 Y44D38-L40 VanDerWaalsContact C-N 3.33Å; D38-L40 PolarHBondContact O-N 3.45Å; D38-L40 PolarHBondContact OD1-N 3.43Å; L40-S43 WeakPolarHBondContact O-CB 3.37Å; L40-S43 PolarHBondContact O-N 2.9Å; L40-Y44 PolarHBondContact O-N 3.26Å
41K96.4Very high95.9Very high74 Ų7465.4 Ų65.432%0.32233%0.329SS..Hα-helixtrans-62-46.5177.3-171.2179.8-165.8-177.40111.6D38 S43 Y44 A45 K103D38-K41 HydrophobicContact CB-CB 4.05Å; D38-K41 VanDerWaalsContact CG-CB 3.48Å; D38-K41 PolarHBondContact OD1-N 3.48Å; D38-K41 WeakPolarHBondContact OD2-CB 3.4Å; K41-S43 VanDerWaalsContact C-N 3.29Å; K41-S43 PolarHBondContact O-N 3.24Å; K41-Y44 WeakPolarHBondContact O-CB 3.39Å; K41-Y44 PolarHBondContact O-N 3.41Å; K41-A45 PolarHBondContact O-N 2.86Å; K41-K103 WeakPolarHBondContact CD-O 3.22Å; K41-K103 WeakPolarHBondContact CE-O 3.24Å; K41-K103 PolarHBondContact NZ-O 3.48Å
42W97.8Very high95.9Very high1 Ų169.2 Ų69.20%0.00434%0.343CS..Hα-helixtrans-60.7-39.7175.7177.985.1000112F27 A30 A31 T34 P36 D38 A45 Y46 P57 V58F27-W42 HydrophobicContact CD2-CH2 4.38Å; F27-W42 AromaticContact CD2-CZ3 3.91Å; F27-W42 HydrophobicContact CD2-CZ3 3.91Å; F27-W42 HydrophobicContact CE2-CE3 4.16Å; F27-W42 HydrophobicContact CE2-CH2 4.34Å; F27-W42 AromaticContact CE2-CZ3 3.45Å; F27-W42 HydrophobicContact CE2-CZ3 3.45Å; F27-W42 VanDerWaalsContact CE2-CZ3 3.45Å; F27-W42 HydrophobicContact CZ-CZ3 4.16Å; A30-W42 HydrophobicContact CB-CH2 3.74Å; A30-W42 HydrophobicContact CB-CZ2 4.07Å; A31-W42 HydrophobicContact CB-CE3 4.45Å; A31-W42 HydrophobicContact CB-CH2 3.89Å; A31-W42 HydrophobicContact CB-CZ3 3.63Å; A31-W42 VanDerWaalsContact N-CH2 3.28Å; T34-W42 HydrophobicContact CG2-CZ2 4.5Å; P36-W42 HydrophobicContact CB-CB 3.48Å; P36-W42 VanDerWaalsContact CB-CB 3.48Å; P36-W42 HydrophobicContact CB-CD2 4.04Å; P36-W42 HydrophobicContact CB-CG 3.46Å; P36-W42 VanDerWaalsContact CB-CG 3.46Å; P36-W42 HydrophobicContact CG-CB 3.99Å; P36-W42 HydrophobicContact CG-CD2 3.81Å; P36-W42 HydrophobicContact CG-CE3 4.01Å; P36-W42 HydrophobicContact CG-CG 3.79Å; D38-W42 WeakPolarHBondContact O-CB 3.34Å; D38-W42 PolarHBondContact O-N 2.98Å; W42-A45 PolarHBondContact O-N 3.03Å; W42-Y46 AromaticContact CH2-CD2 3.85Å; W42-Y46 HydrophobicContact CH2-CD2 3.85Å; W42-Y46 HydrophobicContact CH2-CE2 4.47Å; W42-Y46 HydrophobicContact CH2-CG 4.19Å; W42-Y46 AromaticContact CZ2-CD2 3.96Å; W42-Y46 HydrophobicContact CZ2-CD2 3.96Å; W42-Y46 WeakPolarHBondContact O-CB 3.1Å; W42-Y46 PolarHBondContact O-N 3.15Å; W42-P57 PolarHBondContact NE1-O 3.41Å; W42-V58 HydrophobicContact CZ2-CG2 4.17Å
43S98.1Very high95.9Very high18 Ų1869.6 Ų69.613%0.12636%0.355CS..Hα-helixtrans-63.6-43.1177.5-60.80000111.7F27 V39 L40 K41 Y46 F47F27-S43 WeakPolarHBondContact CE2-OG 3.32Å; F27-S43 VanDerWaalsContact CZ-OG 3.23Å; F27-S43 WeakPolarHBondContact CZ-OG 3.32Å; V39-S43 WeakPolarHBondContact O-CB 3.46Å; V39-S43 PolarHBondContact O-N 3.32Å; V39-S43 PolarHBondContact O-OG 3.39Å; L40-S43 WeakPolarHBondContact O-CB 3.37Å; L40-S43 PolarHBondContact O-N 2.9Å; K41-S43 VanDerWaalsContact C-N 3.29Å; K41-S43 PolarHBondContact O-N 3.24Å; S43-Y46 PolarHBondContact O-N 3.43Å; S43-F47 WeakPolarHBondContact O-CD2 3.26Å; S43-F47 PolarHBondContact O-N 3.34Å
44Y98Very high95.9Very high150 Ų15068.6 Ų68.659%0.58836%0.355SS*.Hα-helixtrans-57.6-49.7173.7170.2-97.6000111.1L40 K41 Y46 F47 K48L40-Y44 PolarHBondContact O-N 3.26Å; K41-Y44 WeakPolarHBondContact O-CB 3.39Å; K41-Y44 PolarHBondContact O-N 3.41Å; Y44-Y46 VanDerWaalsContact C-N 3.33Å; Y44-Y46 PolarHBondContact O-N 2.92Å; Y44-F47 PolarHBondContact O-N 2.85Å; Y44-K48 HydrophobicContact CE1-CD 4.09Å; Y44-K48 WeakPolarHBondContact O-CB 3.36Å; Y44-K48 PolarHBondContact O-N 2.58Å
45A97.9Very high96Very high3 Ų372.6 Ų72.63%0.02538%0.375CS..Hα-helixtrans-61.3-40.5178.300000112.6K41 W42 A49 P57 D104K41-A45 PolarHBondContact O-N 2.86Å; W42-A45 PolarHBondContact O-N 3.03Å; A45-A49 WeakPolarHBondContact O-CB 3.47Å; A45-A49 PolarHBondContact O-N 3.1Å; A45-P57 HydrophobicContact CB-CG 3.96Å; A45-D104 HydrophobicContact CB-CB 3.57Å; A45-D104 VanDerWaalsContact CB-CG 3.4Å; A45-D104 WeakPolarHBondContact CB-OD2 3.47Å
46Y98.4Very high96.3Very high9 Ų969.2 Ų69.24%0.03536%0.362CS..Hα-helixtrans-59.4-55.4175178.9-86.8000111.8F27 A30 W42 S43 Y44 K48 A49 M50 P56 V58F27-Y46 HydrophobicContact CB-CE1 3.98Å; F27-Y46 AromaticContact CD2-CD1 3.7Å; F27-Y46 HydrophobicContact CD2-CD1 3.7Å; F27-Y46 AromaticContact CD2-CE1 3.9Å; F27-Y46 HydrophobicContact CD2-CE1 3.9Å; F27-Y46 HydrophobicContact CD2-CG 4.23Å; F27-Y46 HydrophobicContact CE2-CD1 4.46Å; F27-Y46 HydrophobicContact CG-CE1 4.46Å; A30-Y46 HydrophobicContact CB-CD2 4.25Å; A30-Y46 HydrophobicContact CB-CE2 3.65Å; W42-Y46 AromaticContact CH2-CD2 3.85Å; W42-Y46 HydrophobicContact CH2-CD2 3.85Å; W42-Y46 HydrophobicContact CH2-CE2 4.47Å; W42-Y46 HydrophobicContact CH2-CG 4.19Å; W42-Y46 AromaticContact CZ2-CD2 3.96Å; W42-Y46 HydrophobicContact CZ2-CD2 3.96Å; W42-Y46 WeakPolarHBondContact O-CB 3.1Å; W42-Y46 PolarHBondContact O-N 3.15Å; S43-Y46 PolarHBondContact O-N 3.43Å; Y44-Y46 VanDerWaalsContact C-N 3.33Å; Y44-Y46 PolarHBondContact O-N 2.92Å; Y46-K48 PolarHBondContact O-N 3.27Å; Y46-A49 PolarHBondContact O-N 2.99Å; Y46-M50 HydrophobicContact CD1-CG 4.17Å; Y46-M50 HydrophobicContact CE1-CG 3.83Å; Y46-M50 VanDerWaalsContact O-CG 3.28Å; Y46-M50 WeakPolarHBondContact O-CG 3.35Å; Y46-M50 PolarHBondContact O-N 3.47Å; Y46-P56 HydrophobicContact CD2-CB 3.71Å; Y46-P56 HydrophobicContact CD2-CG 4.46Å; Y46-P56 HydrophobicContact CE2-CB 3.96Å; Y46-P56 HydrophobicContact CE2-CG 4.24Å; Y46-P56 HydrophobicContact CG-CB 4.44Å; Y46-V58 HydrophobicContact CD2-CG2 3.71Å; Y46-V58 HydrophobicContact CE2-CG2 3.68Å
47F98Very high96.5Very high84 Ų8468 Ų6837%0.36835%0.354SS..Hα-helixtrans-69.4-33.9-177.6-73-63.5000112.6I23 F27 S43 Y44 M50 A51I23-F47 HydrophobicContact CG2-CE1 3.93Å; F27-F47 HydrophobicContact CB-CZ 4.09Å; F27-F47 HydrophobicContact CD1-CZ 4.41Å; F27-F47 HydrophobicContact CD2-CE1 4.45Å; F27-F47 AromaticContact CD2-CE2 3.66Å; F27-F47 HydrophobicContact CD2-CE2 3.66Å; F27-F47 AromaticContact CD2-CZ 3.58Å; F27-F47 HydrophobicContact CD2-CZ 3.58Å; F27-F47 AromaticContact CE2-CE2 3.67Å; F27-F47 HydrophobicContact CE2-CE2 3.67Å; F27-F47 HydrophobicContact CE2-CZ 4.07Å; F27-F47 HydrophobicContact CG-CE2 4.22Å; F27-F47 AromaticContact CG-CZ 3.76Å; F27-F47 HydrophobicContact CG-CZ 3.76Å; F27-F47 HydrophobicContact CZ-CE2 4.28Å; S43-F47 WeakPolarHBondContact O-CD2 3.26Å; S43-F47 PolarHBondContact O-N 3.34Å; Y44-F47 PolarHBondContact O-N 2.85Å; F47-M50 PolarHBondContact O-N 2.83Å; F47-A51 WeakPolarHBondContact O-CB 3.19Å; F47-A51 PolarHBondContact O-N 2.94Å
48K97.7Very high96.7Very high54 Ų5462.1 Ų62.124%0.23533%0.331CS..Hα-helixtrans-59-50.7171.7178.8-177.7172.1-174.20110.8Y44 Y46 M50 A51 Q52 E100Y44-K48 HydrophobicContact CE1-CD 4.09Å; Y44-K48 WeakPolarHBondContact O-CB 3.36Å; Y44-K48 PolarHBondContact O-N 2.58Å; Y46-K48 PolarHBondContact O-N 3.27Å; K48-M50 PolarHBondContact O-N 3.29Å; K48-A51 PolarHBondContact O-N 3.33Å; K48-Q52 VanDerWaalsContact CE-OE1 3.3Å; K48-Q52 WeakPolarHBondContact O-CB 3.33Å; K48-Q52 WeakPolarHBondContact O-CG 3.48Å; K48-Q52 PolarHBondContact O-N 2.79Å; K48-E100 IonicContact NZ-OE1 3.86Å; K48-E100 PolarHBondContact NZ-OE1 3.32Å
49A97.3Very high96.6Very high1 Ų159.5 Ų59.51%0.00832%0.316CS..Hα-helixtrans-60.5-45.1178.300000111.7A45 Y46 A51 Q52 S53 E54 P56A45-A49 WeakPolarHBondContact O-CB 3.47Å; A45-A49 PolarHBondContact O-N 3.1Å; Y46-A49 PolarHBondContact O-N 2.99Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.44Å; A49-Q52 CarbonylContact O-C 3.5Å; A49-Q52 PolarHBondContact O-N 2.72Å; A49-Q52 VanDerWaalsContact O-N 3.15Å; A49-S53 PolarHBondContact O-N 3.06Å; A49-E54 HydrophobicContact CB-CB 4.09Å; A49-E54 PolarHBondContact O-N 2.73Å; A49-P56 HydrophobicContact CB-CB 4.12Å
50M96.5Very high96.1Very high86 Ų8660.1 Ų60.142%0.42431%0.313SS..Hα-helixtrans-60-42.2176.5-69-61.9-63.900112.3Y46 F47 K48 Q52 S53 P56Y46-M50 HydrophobicContact CD1-CG 4.17Å; Y46-M50 HydrophobicContact CE1-CG 3.83Å; Y46-M50 VanDerWaalsContact O-CG 3.28Å; Y46-M50 WeakPolarHBondContact O-CG 3.35Å; Y46-M50 PolarHBondContact O-N 3.47Å; F47-M50 PolarHBondContact O-N 2.83Å; K48-M50 PolarHBondContact O-N 3.29Å; M50-Q52 VanDerWaalsContact C-N 3.29Å; M50-Q52 PolarHBondContact O-N 2.97Å; M50-S53 PolarHBondContact O-N 3.26Å; M50-P56 HydrophobicContact SD-CB 4.45Å; M50-P56 HydrophobicContact SD-CG 4.11Å
51A96.5Very high95.5Very high86 Ų8659.9 Ų59.971%0.71130%0.303SS*.Hα-helixtrans-66.8-30.5177.700000112.8F47 K48 A49F47-A51 WeakPolarHBondContact O-CB 3.19Å; F47-A51 PolarHBondContact O-N 2.94Å; K48-A51 PolarHBondContact O-N 3.33Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.44Å
52Q96Very high94.7Very high100 Ų10060.4 Ų60.447%0.46731%0.308SS..THydrogen-bonded Turntrans-92.32.7179.8-66.2178.6-43.100113.3K48 A49 M50 E54K48-Q52 VanDerWaalsContact CE-OE1 3.3Å; K48-Q52 WeakPolarHBondContact O-CB 3.33Å; K48-Q52 WeakPolarHBondContact O-CG 3.48Å; K48-Q52 PolarHBondContact O-N 2.79Å; A49-Q52 CarbonylContact O-C 3.5Å; A49-Q52 PolarHBondContact O-N 2.72Å; A49-Q52 VanDerWaalsContact O-N 3.15Å; M50-Q52 VanDerWaalsContact C-N 3.29Å; M50-Q52 PolarHBondContact O-N 2.97Å; Q52-E54 HydrophobicContact CB-CG 3.96Å; Q52-E54 PolarHBondContact O-N 3.23Å
53S94.5Very high93.9Very high117 Ų11762.2 Ų62.282%0.81832%0.317SS*.THydrogen-bonded Turntrans55.529.6-172-54.80000113.5A49 M50A49-S53 PolarHBondContact O-N 3.06Å; M50-S53 PolarHBondContact O-N 3.26Å
54E95Very high92.7Very high82 Ų8267.8 Ų67.838%0.38335%0.345SS..PPolyproline II helixtrans-89.7164.2172.7-65.4-177.4-174.600111A49 Q52 P56 K101A49-E54 HydrophobicContact CB-CB 4.09Å; A49-E54 PolarHBondContact O-N 2.73Å; Q52-E54 HydrophobicContact CB-CG 3.96Å; Q52-E54 PolarHBondContact O-N 3.23Å; E54-P56 WeakPolarHBondContact O-CD 3.37Å; E54-K101 IonicContact OE2-NZ 3.2Å; E54-K101 PolarHBondContact OE2-NZ 3.4Å
55I96.1Very high91.1Very high90 Ų9066 Ų6646%0.46235%0.351SS..PPolyproline II helixtrans-70.7120.5175.1-66166000108.7N85 Q86I55-N85 WeakPolarHBondContact CD1-O 3.39Å; I55-N85 HydrophobicContact CG2-CB 4.2Å; I55-Q86 HydrophobicContact CB-CG 4.22Å; I55-Q86 HydrophobicContact CG2-CG 4.09Å; I55-Q86 WeakPolarHBondContact O-CG 3.35Å; I55-Q86 PolarHBondContact O-NE2 3.42Å
56P96.9Very high89.1Confident32 Ų3270.8 Ų70.821%0.20838%0.375CS..PPolyproline II helixtrans-74.1157-178.931.3-36000111.5Y46 A49 M50 E54 V58Y46-P56 HydrophobicContact CD2-CB 3.71Å; Y46-P56 HydrophobicContact CD2-CG 4.46Å; Y46-P56 HydrophobicContact CE2-CB 3.96Å; Y46-P56 HydrophobicContact CE2-CG 4.24Å; Y46-P56 HydrophobicContact CG-CB 4.44Å; A49-P56 HydrophobicContact CB-CB 4.12Å; M50-P56 HydrophobicContact SD-CB 4.45Å; M50-P56 HydrophobicContact SD-CG 4.11Å; E54-P56 WeakPolarHBondContact O-CD 3.37Å; P56-V58 HydrophobicContact CB-CG2 3.88Å; P56-V58 HydrophobicContact CG-CG2 3.83Å; P56-V58 PolarHBondContact O-N 2.84Å
57P96.6Very high86.7Confident1 Ų176.2 Ų76.21%0.00642%0.415CS..SBendtrans-75.864.9-176.331.4-35.1000112.4W42 A45 I82 L105W42-P57 PolarHBondContact NE1-O 3.41Å; A45-P57 HydrophobicContact CB-CG 3.96Å; P57-I82 VanDerWaalsContact CA-CG2 3.48Å; P57-I82 HydrophobicContact CB-CG2 3.98Å; P57-L105 HydrophobicContact CB-CD2 3.82Å; P57-L105 HydrophobicContact CB-CG 4.46Å
58V95.7Very high84.4Confident25 Ų2577.5 Ų77.515%0.15243%0.429CS..  trans-116.8124.3-170.4-173.70000111.4A30 T34 W42 Y46 P56A30-V58 HydrophobicContact CB-CB 4.35Å; A30-V58 HydrophobicContact CB-CG1 3.6Å; A30-V58 HydrophobicContact CB-CG2 3.72Å; T34-V58 WeakPolarHBondContact OG1-CA 3.28Å; W42-V58 HydrophobicContact CZ2-CG2 4.17Å; Y46-V58 HydrophobicContact CD2-CG2 3.71Å; Y46-V58 HydrophobicContact CE2-CG2 3.68Å; P56-V58 HydrophobicContact CB-CG2 3.88Å; P56-V58 HydrophobicContact CG-CG2 3.83Å; P56-V58 PolarHBondContact O-N 2.84Å
59K92.2Very high82.1Confident14 Ų1479 Ų796%0.06144%0.437CS..  trans-62.8141.4173.6-70.6-171.1-175.9-164.40110R33 T34 R61 E63 T76 I82R33-K59 PolarHBondContact NE-O 2.75Å; R33-K59 PolarHBondContact NH2-O 2.94Å; T34-K59 HydrophobicContact CG2-CG 4.22Å; T34-K59 WeakPolarHBondContact O-CE 3.17Å; T34-K59 PolarHBondContact OG1-N 3.38Å; K59-R61 VanDerWaalsContact C-N 3.28Å; K59-R61 WeakPolarHBondContact CB-O 3.01Å; K59-R61 PolarHBondContact O-N 3.06Å; K59-E63 HydrophobicContact CD-CG 4.48Å; K59-E63 IonicContact NZ-OE2 3.82Å; K59-E63 PolarHBondContact NZ-OE2 2.79Å; K59-T76 PolarHBondContact NZ-OG1 3.42Å; K59-I82 HydrophobicContact CB-CD1 4.39Å; K59-I82 HydrophobicContact CG-CD1 3.65Å; K59-I82 HydrophobicContact CG-CG1 4.35Å
60E85.7Confident79.8Confident90 Ų9088.5 Ų88.542%0.42148%0.478SS..SBendtrans-62.9-34.7174-75.7174.9-155.100112.5R33 K81 N85R33-E60 VanDerWaalsContact CZ-C 3.47Å; R33-E60 PolarHBondContact NE-O 2.86Å; R33-E60 PolarHBondContact NH1-O 2.97Å; R33-E60 PolarHBondContact NH2-O 3.16Å; R33-E60 VanDerWaalsContact NH2-O 3.11Å; E60-K81 VanDerWaalsContact OE1-CE 3.26Å; E60-K81 WeakPolarHBondContact OE1-CE 3.48Å; E60-N85 PolarHBondContact OE1-ND2 3.19Å
61R83.3Confident77.8Confident141 Ų14186.8 Ų86.853%0.53247%0.473SS..SBendtrans-145164.9177.972.5-167.2-170.5-172.7-0.4112K59 E63 E158K59-R61 VanDerWaalsContact C-N 3.28Å; K59-R61 WeakPolarHBondContact CB-O 3.01Å; K59-R61 PolarHBondContact O-N 3.06Å; R61-E63 PolarHBondContact O-N 2.83Å; R61-E158 WeakPolarHBondContact CD-OE1 3.35Å; R61-E158 IonicContact CZ-OE1 3.88Å; R61-E158 IonicContact NE-OE1 2.98Å; R61-E158 IonicContact NH1-OE1 2.66Å; R61-E158 PolarHBondContact NH1-OE1 2.82Å
62L81.3Confident76.4Confident85 Ų8590.1 Ų90.145%0.44548%0.479SS..PPolyproline II helixtrans-67.1123.7168.3-170.977.8000109.2I32 Q35 L64I32-L62 WeakPolarHBondContact O-CD1 3.47Å; Q35-L62 HydrophobicContact CG-CD1 3.65Å; L62-L64 HydrophobicContact CD2-CD2 4.33Å
63E80.2Confident75.3Confident39 Ų3985.4 Ų85.418%0.18246%0.457CS..PPolyproline II helixtrans-95.4123.4167.7-66.4-179.1138.700108.7Q35 K59 R61 T76 G78Q35-E63 PolarHBondContact NE2-O 3.17Å; Q35-E63 VanDerWaalsContact NE2-O 3.1Å; K59-E63 HydrophobicContact CD-CG 4.48Å; K59-E63 IonicContact NZ-OE2 3.82Å; K59-E63 PolarHBondContact NZ-OE2 2.79Å; R61-E63 PolarHBondContact O-N 2.83Å; E63-T76 PolarHBondContact OE2-OG1 2.78Å; E63-G78 WeakPolarHBondContact OE1-CA 3.41Å; E63-G78 PolarHBondContact OE1-N 3.28Å; E63-G78 PolarHBondContact OE2-N 3.37Å
64L72Confident74.8Confident135 Ų13580.5 Ų80.571%0.70743%0.425SS*.PPolyproline II helixtrans-77.8125.9167.4-66.5172.9000107.5L62 I66L62-L64 HydrophobicContact CD2-CD2 4.33Å; L64-I66 PolarHBondContact O-N 3.02Å
65P65.3Low74.7Confident112 Ų11276.7 Ų76.773%0.72741%0.407SS*.  trans-60111.8172.923.2-30.1000108.2
66I55.9Low74.5Confident103 Ų10373.5 Ų73.553%0.52839%0.392SS..  trans-77126.4172.6-50.3176.9000105.5L64 T68 Q69L64-I66 PolarHBondContact O-N 3.02Å; I66-T68 HydrophobicContact CG2-CG2 4.47Å; I66-T68 VanDerWaalsContact CG2-OG1 3.22Å; I66-T68 WeakPolarHBondContact CG2-OG1 3.2Å; I66-T68 PolarHBondContact O-N 3.35Å; I66-Q69 PolarHBondContact O-N 2.97Å
67S48.7Very low74.3Confident124 Ų12473.7 Ų73.787%0.86739%0.393SS*.THydrogen-bonded Turntrans-52-11.6-180-171.80000114.8
68T48.3Very low74.2Confident110 Ų11074.2 Ų74.268%0.67540%0.398SS*.THydrogen-bonded Turntrans-91.2-12178.8570000114.4I66 K70I66-T68 HydrophobicContact CG2-CG2 4.47Å; I66-T68 VanDerWaalsContact CG2-OG1 3.22Å; I66-T68 WeakPolarHBondContact CG2-OG1 3.2Å; I66-T68 PolarHBondContact O-N 3.35Å; T68-K70 PolarHBondContact O-N 3.07Å
69Q50.3Low74.1Confident85 Ų8573.9 Ų73.940%0.39740%0.396SS..  trans-74.180170.9-68.7-174.79.500108.5I66 T71I66-Q69 PolarHBondContact O-N 2.97Å; Q69-T71 PolarHBondContact O-N 2.73Å
70K48.2Very low74.3Confident201 Ų20173.2 Ų73.287%0.87439%0.393SS*.  trans-69.112.8175.7-74.4-173.4174.8-178.30113.4T68 D72T68-K70 PolarHBondContact O-N 3.07Å; K70-D72 PolarHBondContact O-N 2.72Å
71T55.9Low74.8Confident50 Ų5070.8 Ų70.831%0.30738%0.381SS..  trans-91.897.8-179.352.40000109.1Q69 T73Q69-T71 PolarHBondContact O-N 2.73Å; T71-T73 HydrophobicContact CG2-CG2 4.42Å; T71-T73 PolarHBondContact O-N 2.98Å
72D66.7Low75.4Confident157 Ų15764.2 Ų64.284%0.8436%0.356SS*.THydrogen-bonded Turntrans-62.918.3165.4-164.321.1000112.7K70 G74K70-D72 PolarHBondContact O-N 2.72Å; D72-G74 VanDerWaalsContact C-N 3.32Å
73T73Confident76.2Confident0 Ų060.1 Ų60.10%034%0.335CS..THydrogen-bonded Turntrans-75.6-23.4-17961.60000111.5T71 L75 P108 R111T71-T73 HydrophobicContact CG2-CG2 4.42Å; T71-T73 PolarHBondContact O-N 2.98Å; T73-L75 PolarHBondContact O-N 3.2Å; T73-L75 VanDerWaalsContact O-N 3.09Å; T73-L75 PolarHBondContact OG1-N 3.44Å; T73-L75 PolarHBondContact OG1-O 3.38Å; T73-P108 WeakPolarHBondContact O-CD 3.18Å; T73-P108 WeakPolarHBondContact O-CG 3.48Å; T73-R111 HydrophobicContact CG2-CG 4.44Å; T73-R111 VanDerWaalsContact CG2-CZ 3.45Å
74G84.4Confident77.1Confident14 Ų1458.8 Ų58.814%0.14433%0.329CS..  trans71.4-14.3-168.800000114.5D72 I79 L107D72-G74 VanDerWaalsContact C-N 3.32Å; G74-I79 VanDerWaalsContact O-CD1 3.25Å; G74-I79 WeakPolarHBondContact O-CD1 3.19Å; G74-L107 VanDerWaalsContact C-CD2 3.45Å; G74-L107 WeakPolarHBondContact O-CD2 3.37Å
75L91.5Very high78.2Confident2 Ų254.8 Ų54.81%0.0131%0.308CS..  trans-74.5136.6173.2-174.468.9000108.9T73 I79 L80 W102 L107 A134 L138T73-L75 PolarHBondContact O-N 3.2Å; T73-L75 VanDerWaalsContact O-N 3.09Å; T73-L75 PolarHBondContact OG1-N 3.44Å; T73-L75 PolarHBondContact OG1-O 3.38Å; L75-I79 HydrophobicContact CD1-CB 4.42Å; L75-I79 HydrophobicContact CD1-CG2 3.85Å; L75-L80 HydrophobicContact CD1-CB 4.34Å; L75-W102 HydrophobicContact CD1-CH2 4.09Å; L75-W102 HydrophobicContact CD1-CZ3 4.18Å; L75-W102 HydrophobicContact CD2-CH2 4.05Å; L75-L107 HydrophobicContact CB-CD2 4.37Å; L75-L107 HydrophobicContact CD1-CD1 3.95Å; L75-A134 HydrophobicContact CD2-CB 4.31Å; L75-L138 HydrophobicContact CB-CD2 4.02Å; L75-L138 HydrophobicContact CD2-CD1 4.15Å; L75-L138 HydrophobicContact CD2-CD2 4.02Å; L75-L138 HydrophobicContact CD2-CG 4.03Å; L75-L138 HydrophobicContact CG-CD1 4.12Å; L75-L138 HydrophobicContact CG-CD2 3.93Å; L75-L138 HydrophobicContact CG-CG 4.28Å; L75-L138 VanDerWaalsContact O-CD2 3.24Å; L75-L138 WeakPolarHBondContact O-CD2 3.49Å
76T92.4Very high79.7Confident23 Ų2350.2 Ų50.214%0.14128%0.277CS..  trans-137.1158.217951.40000109K59 E63 G78 I79 L80K59-T76 PolarHBondContact NZ-OG1 3.42Å; E63-T76 PolarHBondContact OE2-OG1 2.78Å; T76-G78 PolarHBondContact O-N 3.21Å; T76-I79 PolarHBondContact O-N 3.04Å; T76-I79 WeakPolarHBondContact OG1-CB 3.39Å; T76-I79 WeakPolarHBondContact OG1-CD1 3.5Å; T76-I79 WeakPolarHBondContact OG1-CG1 3.46Å; T76-I79 PolarHBondContact OG1-N 3.28Å; T76-L80 PolarHBondContact O-N 3.03Å
77P93.3Very high81.7Confident37 Ų3745.3 Ų45.324%0.2425%0.252CS..Hα-helixtrans-48.6-43.7174.8-32.338.9000113.6L80 K81 L138 L148P77-L80 PolarHBondContact O-N 3.26Å; P77-K81 WeakPolarHBondContact O-CB 3.33Å; P77-K81 PolarHBondContact O-N 3.43Å; P77-L138 HydrophobicContact CG-CD1 4.41Å; P77-L148 HydrophobicContact CB-CD1 3.76Å; P77-L148 HydrophobicContact CG-CD1 4.11Å
78G93.1Very high84Confident11 Ų1141.2 Ų41.211%0.11323%0.226CC..Hα-helixtrans-69.7-34.1178.800000113.8E63 T76 K81 I82E63-G78 WeakPolarHBondContact OE1-CA 3.41Å; E63-G78 PolarHBondContact OE1-N 3.28Å; E63-G78 PolarHBondContact OE2-N 3.37Å; T76-G78 PolarHBondContact O-N 3.21Å; G78-K81 PolarHBondContact O-N 3.49Å; G78-I82 WeakPolarHBondContact O-CG1 3.32Å; G78-I82 PolarHBondContact O-N 3.09Å; G78-I82 VanDerWaalsContact O-N 3.08Å
79I95Very high86.3Confident19 Ų1940.7 Ų40.710%0.09723%0.227CC..Hα-helixtrans-68.2-41171.1-71.6174.7000110.5G74 L75 T76 K81 I82 L83 L105 L107G74-I79 VanDerWaalsContact O-CD1 3.25Å; G74-I79 WeakPolarHBondContact O-CD1 3.19Å; L75-I79 HydrophobicContact CD1-CB 4.42Å; L75-I79 HydrophobicContact CD1-CG2 3.85Å; T76-I79 PolarHBondContact O-N 3.04Å; T76-I79 WeakPolarHBondContact OG1-CB 3.39Å; T76-I79 WeakPolarHBondContact OG1-CD1 3.5Å; T76-I79 WeakPolarHBondContact OG1-CG1 3.46Å; T76-I79 PolarHBondContact OG1-N 3.28Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 2.85Å; I79-I82 WeakPolarHBondContact O-CB 3.3Å; I79-I82 PolarHBondContact O-N 3.33Å; I79-I82 VanDerWaalsContact O-N 3.14Å; I79-L83 PolarHBondContact O-N 3.14Å; I79-L83 VanDerWaalsContact O-N 3.09Å; I79-L105 HydrophobicContact CG2-CB 4.36Å; I79-L105 HydrophobicContact CG2-CD1 3.82Å; I79-L107 HydrophobicContact CD1-CD2 4.25Å; I79-L107 HydrophobicContact CG2-CD1 3.72Å; I79-L107 HydrophobicContact CG2-CD2 4.13Å; I79-L107 HydrophobicContact CG2-CG 4.28Å
80L96Very high88.4Confident0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-65.5-35.3176.9-170.254.5000111.6L75 T76 P77 L83 N84 L131 A134 A135 L138 L152L75-L80 HydrophobicContact CD1-CB 4.34Å; T76-L80 PolarHBondContact O-N 3.03Å; P77-L80 PolarHBondContact O-N 3.26Å; L80-L83 HydrophobicContact CD1-CD1 4.35Å; L80-L83 PolarHBondContact O-N 3.49Å; L80-N84 WeakPolarHBondContact O-CB 3.31Å; L80-N84 PolarHBondContact O-N 3.08Å; L80-L131 HydrophobicContact CD1-CD1 3.79Å; L80-L131 HydrophobicContact CD2-CD1 4.25Å; L80-L131 HydrophobicContact CG-CD1 3.77Å; L80-A134 HydrophobicContact CD1-CB 3.63Å; L80-A134 HydrophobicContact CD2-CB 4.04Å; L80-A135 HydrophobicContact CD2-CB 3.98Å; L80-L138 HydrophobicContact CD2-CD1 4.13Å; L80-L152 HydrophobicContact CB-CD2 4.45Å; L80-L152 HydrophobicContact CD2-CD1 3.73Å; L80-L152 HydrophobicContact CG-CD1 3.98Å
81K96Very high90.7Very high38 Ų3839.3 Ų39.317%0.16522%0.222CC..Hα-helixtrans-62-40.7170.5-17272.4179.6-165.30112.1E60 P77 G78 I79 N84 N85 L152E60-K81 VanDerWaalsContact OE1-CE 3.26Å; E60-K81 WeakPolarHBondContact OE1-CE 3.48Å; P77-K81 WeakPolarHBondContact O-CB 3.33Å; P77-K81 PolarHBondContact O-N 3.43Å; G78-K81 PolarHBondContact O-N 3.49Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 2.85Å; K81-N84 PolarHBondContact O-N 3.14Å; K81-N85 WeakPolarHBondContact O-CB 3.44Å; K81-N85 PolarHBondContact O-N 3.01Å; K81-N85 PolarHBondContact O-OD1 3.38Å; K81-L152 HydrophobicContact CB-CD2 3.74Å; K81-L152 HydrophobicContact CD-CD2 3.99Å; K81-L152 HydrophobicContact CG-CD2 4.47Å; K81-L152 PolarHBondContact NZ-O 3.31Å
82I96.9Very high92.7Very high3 Ų341.9 Ų41.92%0.01523%0.233CC..Hα-helixtrans-56.6-53.5173.2-69.3168000110.1T34 P57 K59 G78 I79 N84 N85 Q86 L105T34-I82 HydrophobicContact CG2-CD1 4.23Å; P57-I82 VanDerWaalsContact CA-CG2 3.48Å; P57-I82 HydrophobicContact CB-CG2 3.98Å; K59-I82 HydrophobicContact CB-CD1 4.39Å; K59-I82 HydrophobicContact CG-CD1 3.65Å; K59-I82 HydrophobicContact CG-CG1 4.35Å; G78-I82 WeakPolarHBondContact O-CG1 3.32Å; G78-I82 PolarHBondContact O-N 3.09Å; G78-I82 VanDerWaalsContact O-N 3.08Å; I79-I82 WeakPolarHBondContact O-CB 3.3Å; I79-I82 PolarHBondContact O-N 3.33Å; I79-I82 VanDerWaalsContact O-N 3.14Å; I82-N84 VanDerWaalsContact C-N 3.26Å; I82-N84 PolarHBondContact O-N 3.1Å; I82-N85 PolarHBondContact O-N 3.39Å; I82-N85 VanDerWaalsContact O-N 3.14Å; I82-Q86 HydrophobicContact CG2-CG 4.41Å; I82-Q86 WeakPolarHBondContact O-CG 3.46Å; I82-Q86 PolarHBondContact O-N 2.88Å; I82-L105 HydrophobicContact CB-CD1 4.4Å; I82-L105 HydrophobicContact CD1-CD2 3.94Å; I82-L105 HydrophobicContact CG2-CD1 4.01Å; I82-L105 HydrophobicContact CG2-CD2 4.27Å
83L97.9Very high94.2Very high0 Ų034.5 Ų34.50%019%0.193CC..Hα-helixtrans-59.2-41.9-179.1-67.8171.4000111I79 L80 N85 Q86 L87 K101 W102 L105 L107 W127I79-L83 PolarHBondContact O-N 3.14Å; I79-L83 VanDerWaalsContact O-N 3.09Å; L80-L83 HydrophobicContact CD1-CD1 4.35Å; L80-L83 PolarHBondContact O-N 3.49Å; L83-N85 PolarHBondContact O-N 2.72Å; L83-Q86 PolarHBondContact O-N 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 2.96Å; L83-K101 HydrophobicContact CD2-CB 3.83Å; L83-W102 HydrophobicContact CD1-CE3 3.77Å; L83-W102 HydrophobicContact CD1-CZ3 3.95Å; L83-L105 HydrophobicContact CD1-CD1 4.48Å; L83-L105 HydrophobicContact CD2-CD1 3.62Å; L83-L105 HydrophobicContact CG-CD1 3.77Å; L83-L107 HydrophobicContact CD1-CD1 4.4Å; L83-W127 HydrophobicContact CB-CH2 3.66Å; L83-W127 HydrophobicContact CB-CZ2 3.96Å
84N97.8Very high95.4Very high11 Ų1136.2 Ų36.26%0.05921%0.205CC..Hα-helixtrans-60.2-46.6175.9-174.468.8000112.1L80 K81 I82 Q86 L87 A88 W127 L131L80-N84 WeakPolarHBondContact O-CB 3.31Å; L80-N84 PolarHBondContact O-N 3.08Å; K81-N84 PolarHBondContact O-N 3.14Å; I82-N84 VanDerWaalsContact C-N 3.26Å; I82-N84 PolarHBondContact O-N 3.1Å; N84-Q86 PolarHBondContact O-N 3.36Å; N84-L87 PolarHBondContact O-N 2.81Å; N84-A88 WeakPolarHBondContact O-CB 3.15Å; N84-A88 PolarHBondContact O-N 2.89Å; N84-W127 HydrophobicContact CB-CZ2 4.26Å; N84-W127 PolarHBondContact OD1-NE1 3.34Å; N84-L131 HydrophobicContact CB-CD1 4.03Å; N84-L131 WeakPolarHBondContact OD1-CD2 3.44Å
85N96.2Very high96Very high50 Ų5037 Ų3727%0.26721%0.206SC..Hα-helixtrans-61.8-35.6177.9-67.7-8.5000111.2I55 E60 K81 I82 L83I55-N85 WeakPolarHBondContact CD1-O 3.39Å; I55-N85 HydrophobicContact CG2-CB 4.2Å; E60-N85 PolarHBondContact OE1-ND2 3.19Å; K81-N85 WeakPolarHBondContact O-CB 3.44Å; K81-N85 PolarHBondContact O-N 3.01Å; K81-N85 PolarHBondContact O-OD1 3.38Å; I82-N85 PolarHBondContact O-N 3.39Å; I82-N85 VanDerWaalsContact O-N 3.14Å; L83-N85 PolarHBondContact O-N 2.72Å
86Q97Very high96.4Very high16 Ų1640.8 Ų40.88%0.07523%0.232CC..Hα-helixtrans-77.4-31.6179.5-69.1-175.5-52.400114.4I55 I82 L83 N84I55-Q86 HydrophobicContact CB-CG 4.22Å; I55-Q86 HydrophobicContact CG2-CG 4.09Å; I55-Q86 WeakPolarHBondContact O-CG 3.35Å; I55-Q86 PolarHBondContact O-NE2 3.42Å; I82-Q86 HydrophobicContact CG2-CG 4.41Å; I82-Q86 WeakPolarHBondContact O-CG 3.46Å; I82-Q86 PolarHBondContact O-N 2.88Å; L83-Q86 PolarHBondContact O-N 3.49Å; N84-Q86 PolarHBondContact O-N 3.36Å
87L97.6Very high96.6Very high0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-118.9-19.2-164.4-61.4174.8000114.6L83 N84 S89 M90 V93 V97 I98 K101 W127L83-L87 WeakPolarHBondContact O-CB 3.41Å; L83-L87 WeakPolarHBondContact O-CG 3.5Å; L83-L87 PolarHBondContact O-N 2.96Å; N84-L87 PolarHBondContact O-N 2.81Å; L87-S89 PolarHBondContact O-N 3.36Å; L87-M90 HydrophobicContact CD2-CE 4.3Å; L87-M90 HydrophobicContact CD2-SD 4.19Å; L87-M90 WeakPolarHBondContact O-CB 3.05Å; L87-M90 PolarHBondContact O-N 3.14Å; L87-M90 VanDerWaalsContact O-N 3.13Å; L87-V93 HydrophobicContact CB-CG2 4.4Å; L87-V93 HydrophobicContact CD2-CG1 4.13Å; L87-V97 HydrophobicContact CD2-CG1 3.71Å; L87-I98 HydrophobicContact CD1-CG1 4.27Å; L87-K101 HydrophobicContact CD2-CG 4.17Å; L87-W127 HydrophobicContact CB-CD2 3.74Å; L87-W127 HydrophobicContact CB-CE3 3.71Å; L87-W127 HydrophobicContact CB-CG 4.38Å; L87-W127 HydrophobicContact CB-CH2 4.28Å; L87-W127 HydrophobicContact CB-CZ2 4.27Å; L87-W127 HydrophobicContact CB-CZ3 4Å; L87-W127 HydrophobicContact CD1-CE3 3.84Å; L87-W127 HydrophobicContact CD1-CH2 3.74Å; L87-W127 HydrophobicContact CD1-CZ2 4.48Å; L87-W127 HydrophobicContact CD1-CZ3 3.34Å; L87-W127 HydrophobicContact CG-CE3 4.43Å; L87-W127 HydrophobicContact CG-CZ3 4.3Å
88A96.3Very high96.9Very high39 Ų3939.7 Ų39.732%0.32223%0.225SC..G310 helixtrans-61.8-30.5-174.900000114N84 M90 K91 W127N84-A88 WeakPolarHBondContact O-CB 3.15Å; N84-A88 PolarHBondContact O-N 2.89Å; A88-M90 PolarHBondContact O-N 3.33Å; A88-K91 PolarHBondContact O-N 2.92Å; A88-W127 VanDerWaalsContact CA-CD1 3.42Å
89S96Very high97.1Very high99 Ų9942.4 Ų42.469%0.69224%0.235SC*.G310 helixtrans-64.7-26.6179.158.90000113.3L87 K91L87-S89 PolarHBondContact O-N 3.36Å; S89-K91 VanDerWaalsContact C-N 3.35Å
90M95.6Very high97.2Very high95 Ų9544.9 Ų44.947%0.46825%0.246SC..G310 helixtrans-75.5-24.2-178.5-63.1-178.1-174.300112.7L87 A88 I92 V93 V97L87-M90 HydrophobicContact CD2-CE 4.3Å; L87-M90 HydrophobicContact CD2-SD 4.19Å; L87-M90 WeakPolarHBondContact O-CB 3.05Å; L87-M90 PolarHBondContact O-N 3.14Å; L87-M90 VanDerWaalsContact O-N 3.13Å; A88-M90 PolarHBondContact O-N 3.33Å; M90-I92 PolarHBondContact O-N 3.31Å; M90-V93 HydrophobicContact CB-CG2 3.84Å; M90-V93 HydrophobicContact SD-CG1 4.21Å; M90-V93 HydrophobicContact SD-CG2 4.31Å; M90-V97 HydrophobicContact SD-CG1 4.42Å
91K96.1Very high97.3Very high162 Ų16245.6 Ų45.670%0.70425%0.249SC*.SBendtrans60.5-55.5-172.6-56.8-178.9179.2-179.20114.7A88 S89 E126 W127A88-K91 PolarHBondContact O-N 2.92Å; S89-K91 VanDerWaalsContact C-N 3.35Å; K91-E126 CarbonylContact O-C 3.54Å; K91-E126 VanDerWaalsContact O-CA 3.29Å; K91-E126 WeakPolarHBondContact O-CA 3.49Å; K91-W127 PolarHBondContact O-N 3.05Å
92I98.2Very high97.4Very high103 Ų10343.8 Ų43.853%0.52824%0.241SC..EExtended strand (participates in β ladder)trans-108.7125.5172-61.3171.8000107.3M90 I124 C125 E126M90-I92 PolarHBondContact O-N 3.31Å; I92-I124 HydrophobicContact CG2-CB 4.18Å; I92-I124 HydrophobicContact CG2-CD1 4.07Å; I92-C125 WeakPolarHBondContact CA-O 3.49Å; I92-E126 HydrophobicContact CG1-CG 4.2Å
93V98.1Very high97.3Very high2 Ų247.2 Ų47.21%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-126.2140.5-172.7-169.40000109L87 M90 V97 I98 I124 C125 W127L87-V93 HydrophobicContact CB-CG2 4.4Å; L87-V93 HydrophobicContact CD2-CG1 4.13Å; M90-V93 HydrophobicContact CB-CG2 3.84Å; M90-V93 HydrophobicContact SD-CG1 4.21Å; M90-V93 HydrophobicContact SD-CG2 4.31Å; V93-V97 HydrophobicContact CG1-CB 4.01Å; V93-V97 HydrophobicContact CG1-CG1 3.91Å; V93-I98 HydrophobicContact CB-CD1 4.25Å; V93-I98 HydrophobicContact CB-CG1 4.17Å; V93-I98 HydrophobicContact CG1-CD1 4.26Å; V93-I98 HydrophobicContact CG1-CG1 3.63Å; V93-I124 CarbonylContact O-C 3.59Å; V93-I124 VanDerWaalsContact O-CA 3.26Å; V93-I124 WeakPolarHBondContact O-CA 3.41Å; V93-C125 PolarHBondContact N-O 2.75Å; V93-C125 PolarHBondContact O-N 3.34Å; V93-W127 HydrophobicContact CG2-CB 3.94Å; V93-W127 HydrophobicContact CG2-CE3 4.41Å
94S98.1Very high97.3Very high37 Ų3747.9 Ų47.926%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-73.7142.4170.469.50000110.9S96 V97 I98 N123S94-S96 PolarHBondContact O-N 2.91Å; S94-S96 PolarHBondContact OG-OG 2.6Å; S94-V97 PolarHBondContact O-N 3.19Å; S94-V97 WeakPolarHBondContact OG-CG2 3.22Å; S94-V97 PolarHBondContact OG-N 3.36Å; S94-I98 PolarHBondContact O-N 3.15Å; S94-I98 VanDerWaalsContact O-N 3.12Å; S94-N123 CarbonylContact C-O 3.56Å; S94-N123 VanDerWaalsContact CA-O 3.32Å; S94-N123 WeakPolarHBondContact CA-O 3.47Å
95L98Very high97.2Very high31 Ų3148 Ų4816%0.16226%0.26CS..Hα-helixtrans-60.5-29.6177.9-63.4-172.8000111.9V97 I98 E99 F121 N123 C125L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 2.97Å; L95-I98 HydrophobicContact CD2-CD1 4.09Å; L95-I98 PolarHBondContact O-N 3.32Å; L95-E99 VanDerWaalsContact O-CB 3.3Å; L95-E99 WeakPolarHBondContact O-CB 3.32Å; L95-E99 PolarHBondContact O-N 2.93Å; L95-F121 HydrophobicContact CD1-CB 4.15Å; L95-F121 WeakPolarHBondContact CD1-O 3.47Å; L95-F121 HydrophobicContact CD2-CB 4.01Å; L95-N123 PolarHBondContact N-O 3.2Å; L95-C125 HydrophobicContact CD2-CB 4.43Å
96S97.9Very high97.1Very high80 Ų8047 Ų4756%0.55926%0.257SS*.Hα-helixtrans-61.8-38.817356.20000113.2S94 E100S94-S96 PolarHBondContact O-N 2.91Å; S94-S96 PolarHBondContact OG-OG 2.6Å; S96-E100 WeakPolarHBondContact O-CB 3.25Å; S96-E100 PolarHBondContact O-N 2.87Å
97V97.9Very high97Very high38 Ų3846.8 Ų46.823%0.2326%0.256CS..Hα-helixtrans-72.6-40.5177.5169.20000110.1L87 M90 V93 S94 L95 E99 E100 K101L87-V97 HydrophobicContact CD2-CG1 3.71Å; M90-V97 HydrophobicContact SD-CG1 4.42Å; V93-V97 HydrophobicContact CG1-CB 4.01Å; V93-V97 HydrophobicContact CG1-CG1 3.91Å; S94-V97 PolarHBondContact O-N 3.19Å; S94-V97 WeakPolarHBondContact OG-CG2 3.22Å; S94-V97 PolarHBondContact OG-N 3.36Å; L95-V97 VanDerWaalsContact C-N 3.34Å; L95-V97 PolarHBondContact O-N 2.97Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E100 PolarHBondContact O-N 3.06Å; V97-K101 WeakPolarHBondContact O-CG 3.01Å; V97-K101 PolarHBondContact O-N 3.24Å; V97-K101 VanDerWaalsContact O-N 3.1Å
98I98.3Very high96.8Very high0 Ų048.7 Ų48.70%027%0.269CS..Hα-helixtrans-59.5-48.1173.2-59.8-178.5000109.8L87 V93 S94 L95 E100 K101 W102 L112 C125 W127 F130L87-I98 HydrophobicContact CD1-CG1 4.27Å; V93-I98 HydrophobicContact CB-CD1 4.25Å; V93-I98 HydrophobicContact CB-CG1 4.17Å; V93-I98 HydrophobicContact CG1-CD1 4.26Å; V93-I98 HydrophobicContact CG1-CG1 3.63Å; S94-I98 PolarHBondContact O-N 3.15Å; S94-I98 VanDerWaalsContact O-N 3.12Å; L95-I98 HydrophobicContact CD2-CD1 4.09Å; L95-I98 PolarHBondContact O-N 3.32Å; I98-E100 VanDerWaalsContact C-N 3.34Å; I98-E100 PolarHBondContact O-N 2.78Å; I98-K101 PolarHBondContact O-N 3.49Å; I98-W102 WeakPolarHBondContact O-CB 3.44Å; I98-W102 PolarHBondContact O-N 2.85Å; I98-L112 HydrophobicContact CG2-CD1 3.76Å; I98-C125 WeakPolarHBondContact CD1-SG 3.35Å; I98-W127 HydrophobicContact CD1-CE3 4.27Å; I98-W127 HydrophobicContact CD1-CZ3 4.22Å; I98-W127 HydrophobicContact CG1-CZ3 4.3Å; I98-F130 HydrophobicContact CD1-CD1 4.46Å; I98-F130 HydrophobicContact CD1-CD2 3.95Å; I98-F130 HydrophobicContact CD1-CE2 4.34Å; I98-F130 HydrophobicContact CD1-CG 4.03Å; I98-F130 HydrophobicContact CG2-CD1 4.49Å; I98-F130 HydrophobicContact CG2-CD2 4.49Å; I98-F130 HydrophobicContact CG2-CE1 3.92Å; I98-F130 HydrophobicContact CG2-CE2 3.92Å; I98-F130 HydrophobicContact CG2-CZ 3.61Å
99E98.1Very high96.8Very high68 Ų6848.4 Ų48.432%0.31826%0.263SS..Hα-helixtrans-61.7-39.3179.7-172.4179.6155.800112.7L95 V97 W102 K103 L112L95-E99 VanDerWaalsContact O-CB 3.3Å; L95-E99 WeakPolarHBondContact O-CB 3.32Å; L95-E99 PolarHBondContact O-N 2.93Å; V97-E99 VanDerWaalsContact C-N 3.34Å; E99-W102 PolarHBondContact O-N 2.73Å; E99-K103 HydrophobicContact CG-CD 4.08Å; E99-K103 VanDerWaalsContact O-CB 3.3Å; E99-K103 WeakPolarHBondContact O-CB 3.36Å; E99-K103 VanDerWaalsContact O-CG 3.28Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.47Å; E99-K103 VanDerWaalsContact OE1-CE 3.23Å; E99-K103 WeakPolarHBondContact OE1-CE 3.41Å; E99-K103 IonicContact OE1-NZ 2.78Å; E99-K103 PolarHBondContact OE1-NZ 2.87Å; E99-L112 HydrophobicContact CB-CD2 3.63Å; E99-L112 HydrophobicContact CG-CD2 3.76Å
100E97.7Very high96.7Very high70 Ų7049.8 Ų49.833%0.32726%0.259SS..Hα-helixtrans-59-56.6173.7-175.9-175165.200111K48 S96 V97 I98 W102 K103 D104K48-E100 IonicContact NZ-OE1 3.86Å; K48-E100 PolarHBondContact NZ-OE1 3.32Å; S96-E100 WeakPolarHBondContact O-CB 3.25Å; S96-E100 PolarHBondContact O-N 2.87Å; V97-E100 PolarHBondContact O-N 3.06Å; I98-E100 VanDerWaalsContact C-N 3.34Å; I98-E100 PolarHBondContact O-N 2.78Å; E100-W102 VanDerWaalsContact C-N 3.27Å; E100-W102 PolarHBondContact O-N 3.04Å; E100-K103 PolarHBondContact O-N 2.91Å; E100-K103 VanDerWaalsContact O-N 3.15Å; E100-D104 PolarHBondContact O-N 3.12Å
101K97.6Very high96.6Very high15 Ų1549.6 Ų49.67%0.06525%0.253CS..Hα-helixtrans-64.9-32.4-179-59.2-58-176.3-1790112.2E54 L83 L87 V97 I98 D104 L105E54-K101 IonicContact OE2-NZ 3.2Å; E54-K101 PolarHBondContact OE2-NZ 3.4Å; L83-K101 HydrophobicContact CD2-CB 3.83Å; L87-K101 HydrophobicContact CD2-CG 4.17Å; V97-K101 WeakPolarHBondContact O-CG 3.01Å; V97-K101 PolarHBondContact O-N 3.24Å; V97-K101 VanDerWaalsContact O-N 3.1Å; I98-K101 PolarHBondContact O-N 3.49Å; K101-D104 PolarHBondContact O-N 3.35Å; K101-L105 PolarHBondContact O-N 3.17Å
102W97.5Very high96.7Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-62.8-46.8173.4-169.6-90.9000111.7L75 L83 I98 E99 E100 L105 S106 L107 P108 R111 L112 I115 F130L75-W102 HydrophobicContact CD1-CH2 4.09Å; L75-W102 HydrophobicContact CD1-CZ3 4.18Å; L75-W102 HydrophobicContact CD2-CH2 4.05Å; L83-W102 HydrophobicContact CD1-CE3 3.77Å; L83-W102 HydrophobicContact CD1-CZ3 3.95Å; I98-W102 WeakPolarHBondContact O-CB 3.44Å; I98-W102 PolarHBondContact O-N 2.85Å; E99-W102 PolarHBondContact O-N 2.73Å; E100-W102 VanDerWaalsContact C-N 3.27Å; E100-W102 PolarHBondContact O-N 3.04Å; W102-L105 PolarHBondContact O-N 2.9Å; W102-S106 PolarHBondContact O-N 3.17Å; W102-L107 VanDerWaalsContact CD1-CB 3.44Å; W102-L107 HydrophobicContact CD2-CB 3.86Å; W102-L107 HydrophobicContact CD2-CD1 3.52Å; W102-L107 HydrophobicContact CD2-CG 4.37Å; W102-L107 VanDerWaalsContact CE2-CB 3.41Å; W102-L107 HydrophobicContact CE3-CD1 3.69Å; W102-L107 HydrophobicContact CG-CB 3.86Å; W102-L107 HydrophobicContact CG-CD1 4.03Å; W102-L107 HydrophobicContact CH2-CD1 4.14Å; W102-L107 HydrophobicContact CZ2-CB 4.02Å; W102-L107 HydrophobicContact CZ2-CD1 3.98Å; W102-L107 HydrophobicContact CZ3-CD1 4Å; W102-L107 WeakPolarHBondContact O-CB 3.48Å; W102-L107 PolarHBondContact O-N 2.9Å; W102-P108 PolarHBondContact NE1-O 2.92Å; W102-R111 HydrophobicContact CZ2-CB 4.1Å; W102-L112 HydrophobicContact CB-CD2 4.34Å; W102-L112 HydrophobicContact CD2-CB 4.11Å; W102-L112 HydrophobicContact CD2-CD1 4.32Å; W102-L112 HydrophobicContact CE3-CD1 4.32Å; W102-L112 HydrophobicContact CG-CB 4.25Å; W102-L112 HydrophobicContact CG-CD2 4.21Å; W102-L112 HydrophobicContact CZ2-CB 4.28Å; W102-I115 HydrophobicContact CH2-CD1 3.74Å; W102-I115 HydrophobicContact CZ3-CD1 4.36Å; W102-F130 HydrophobicContact CE3-CZ 4.36Å; W102-F130 HydrophobicContact CZ3-CE1 4.21Å; W102-F130 HydrophobicContact CZ3-CZ 4.1Å
103K96.5Very high96.6Very high76 Ų7643.1 Ų43.133%0.3322%0.223SC..Hα-helixtrans-65.9-39.4176.8-80.1172.7173.5173.60111.7K41 E99 E100 L105 S106 V109K41-K103 WeakPolarHBondContact CD-O 3.22Å; K41-K103 WeakPolarHBondContact CE-O 3.24Å; K41-K103 PolarHBondContact NZ-O 3.48Å; E99-K103 HydrophobicContact CG-CD 4.08Å; E99-K103 VanDerWaalsContact O-CB 3.3Å; E99-K103 WeakPolarHBondContact O-CB 3.36Å; E99-K103 VanDerWaalsContact O-CG 3.28Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.47Å; E99-K103 VanDerWaalsContact OE1-CE 3.23Å; E99-K103 WeakPolarHBondContact OE1-CE 3.41Å; E99-K103 IonicContact OE1-NZ 2.78Å; E99-K103 PolarHBondContact OE1-NZ 2.87Å; E100-K103 PolarHBondContact O-N 2.91Å; E100-K103 VanDerWaalsContact O-N 3.15Å; K103-L105 PolarHBondContact O-N 3.05Å; K103-S106 WeakPolarHBondContact O-CA 2.95Å; K103-S106 PolarHBondContact O-N 3.28Å; K103-V109 HydrophobicContact CD-CG2 4.48Å; K103-V109 VanDerWaalsContact CE-CG2 3.47Å; K103-V109 HydrophobicContact CG-CG2 4.15Å
104D96.6Very high96.5Very high13 Ų1345.8 Ų45.87%0.0724%0.235CC..Hα-helixtrans-56.4-31.7176.3-75.1-14000112.2A45 E100 K101 S106A45-D104 HydrophobicContact CB-CB 3.57Å; A45-D104 VanDerWaalsContact CB-CG 3.4Å; A45-D104 WeakPolarHBondContact CB-OD2 3.47Å; E100-D104 PolarHBondContact O-N 3.12Å; K101-D104 PolarHBondContact O-N 3.35Å; D104-S106 VanDerWaalsContact C-N 3.29Å
105L95.6Very high96.4Very high15 Ų1544.1 Ų44.18%0.07922%0.223CC..THydrogen-bonded Turntrans-87.15.9175.4-66.2166.7000113.7P57 I79 I82 L83 K101 W102 K103 L107P57-L105 HydrophobicContact CB-CD2 3.82Å; P57-L105 HydrophobicContact CB-CG 4.46Å; I79-L105 HydrophobicContact CG2-CB 4.36Å; I79-L105 HydrophobicContact CG2-CD1 3.82Å; I82-L105 HydrophobicContact CB-CD1 4.4Å; I82-L105 HydrophobicContact CD1-CD2 3.94Å; I82-L105 HydrophobicContact CG2-CD1 4.01Å; I82-L105 HydrophobicContact CG2-CD2 4.27Å; L83-L105 HydrophobicContact CD1-CD1 4.48Å; L83-L105 HydrophobicContact CD2-CD1 3.62Å; L83-L105 HydrophobicContact CG-CD1 3.77Å; K101-L105 PolarHBondContact O-N 3.17Å; W102-L105 PolarHBondContact O-N 2.9Å; K103-L105 PolarHBondContact O-N 3.05Å; L105-L107 HydrophobicContact CB-CD1 4.18Å; L105-L107 HydrophobicContact CB-CG 4.01Å; L105-L107 PolarHBondContact O-N 3.48Å
106S94.7Very high96.4Very high29 Ų2943.6 Ų43.620%0.20322%0.222CC..THydrogen-bonded Turntrans56.636.1-179.1-53.30000113.5D38 W102 K103 D104D38-S106 WeakPolarHBondContact CB-OG 3.4Å; W102-S106 PolarHBondContact O-N 3.17Å; K103-S106 WeakPolarHBondContact O-CA 2.95Å; K103-S106 PolarHBondContact O-N 3.28Å; D104-S106 VanDerWaalsContact C-N 3.29Å
107L94.8Very high96.4Very high10 Ų1047.6 Ų47.65%0.05223%0.225CC..  trans-85.3146.2176.2-62.4173.9000111.2G74 L75 I79 L83 W102 L105 V109G74-L107 VanDerWaalsContact C-CD2 3.45Å; G74-L107 WeakPolarHBondContact O-CD2 3.37Å; L75-L107 HydrophobicContact CB-CD2 4.37Å; L75-L107 HydrophobicContact CD1-CD1 3.95Å; I79-L107 HydrophobicContact CD1-CD2 4.25Å; I79-L107 HydrophobicContact CG2-CD1 3.72Å; I79-L107 HydrophobicContact CG2-CD2 4.13Å; I79-L107 HydrophobicContact CG2-CG 4.28Å; L83-L107 HydrophobicContact CD1-CD1 4.4Å; W102-L107 VanDerWaalsContact CD1-CB 3.44Å; W102-L107 HydrophobicContact CD2-CB 3.86Å; W102-L107 HydrophobicContact CD2-CD1 3.52Å; W102-L107 HydrophobicContact CD2-CG 4.37Å; W102-L107 VanDerWaalsContact CE2-CB 3.41Å; W102-L107 HydrophobicContact CE3-CD1 3.69Å; W102-L107 HydrophobicContact CG-CB 3.86Å; W102-L107 HydrophobicContact CG-CD1 4.03Å; W102-L107 HydrophobicContact CH2-CD1 4.14Å; W102-L107 HydrophobicContact CZ2-CB 4.02Å; W102-L107 HydrophobicContact CZ2-CD1 3.98Å; W102-L107 HydrophobicContact CZ3-CD1 4Å; W102-L107 WeakPolarHBondContact O-CB 3.48Å; W102-L107 PolarHBondContact O-N 2.9Å; L105-L107 HydrophobicContact CB-CD1 4.18Å; L105-L107 HydrophobicContact CB-CG 4.01Å; L105-L107 PolarHBondContact O-N 3.48Å; L107-V109 PolarHBondContact O-N 2.81Å
108P94.1Very high96.4Very high41 Ų4149.4 Ų49.427%0.26623%0.232SC..  trans-64.3130.7179.2-19.332.1000111.9T73 W102 E110 R111T73-P108 WeakPolarHBondContact O-CD 3.18Å; T73-P108 WeakPolarHBondContact O-CG 3.48Å; W102-P108 PolarHBondContact NE1-O 2.92Å; P108-E110 WeakPolarHBondContact CB-OE2 3.22Å; P108-E110 PolarHBondContact O-N 3.15Å; P108-R111 HydrophobicContact CB-CG 4.31Å; P108-R111 PolarHBondContact O-N 2.9Å
109V95.3Very high96.3Very high33 Ų3350.1 Ų50.120%0.224%0.24CC..Hα-helixtrans-69.5-28.4-177.7177.20000111.1K103 L107 R111 L112 Q113K103-V109 HydrophobicContact CD-CG2 4.48Å; K103-V109 VanDerWaalsContact CE-CG2 3.47Å; K103-V109 HydrophobicContact CG-CG2 4.15Å; L107-V109 PolarHBondContact O-N 2.81Å; V109-R111 PolarHBondContact O-N 2.94Å; V109-L112 WeakPolarHBondContact O-CB 3.49Å; V109-L112 PolarHBondContact O-N 3.33Å; V109-L112 VanDerWaalsContact O-N 3.14Å; V109-Q113 HydrophobicContact CG1-CG 4.38Å; V109-Q113 WeakPolarHBondContact O-CG 3.5Å; V109-Q113 PolarHBondContact O-N 3.49Å
110E94.6Very high96.3Very high128 Ų12853.5 Ų53.560%0.59826%0.26SS*.Hα-helixtrans-61.5-36.3177.3-57.971.4-154.400110.8P108 Q113 E114P108-E110 WeakPolarHBondContact CB-OE2 3.22Å; P108-E110 PolarHBondContact O-N 3.15Å; E110-Q113 PolarHBondContact O-N 2.9Å; E110-E114 PolarHBondContact O-N 3.07Å
111R93.7Very high96.3Very high91 Ų9151.4 Ų51.434%0.34325%0.25SC..Hα-helixtrans-70.5-38.4175.2-71.6-54-161.7147.24.1112.6T73 W102 P108 V109 Q113 E114 I115 D137T73-R111 HydrophobicContact CG2-CG 4.44Å; T73-R111 VanDerWaalsContact CG2-CZ 3.45Å; W102-R111 HydrophobicContact CZ2-CB 4.1Å; P108-R111 HydrophobicContact CB-CG 4.31Å; P108-R111 PolarHBondContact O-N 2.9Å; V109-R111 PolarHBondContact O-N 2.94Å; R111-Q113 VanDerWaalsContact C-N 3.31Å; R111-Q113 PolarHBondContact O-N 2.91Å; R111-E114 PolarHBondContact O-N 3.13Å; R111-I115 WeakPolarHBondContact O-CG1 3.43Å; R111-I115 PolarHBondContact O-N 3.29Å; R111-I115 VanDerWaalsContact O-N 3.11Å; R111-D137 IonicContact NH1-OD1 2.75Å; R111-D137 PolarHBondContact NH1-OD1 3.36Å; R111-D137 IonicContact NH1-OD2 3.04Å
112L96.9Very high96.2Very high8 Ų855.7 Ų55.74%0.04228%0.277CS..Hα-helixtrans-60.2-44.4171.317564.1000111.1I98 E99 W102 V109 E114 I115 C116 F130I98-L112 HydrophobicContact CG2-CD1 3.76Å; E99-L112 HydrophobicContact CB-CD2 3.63Å; E99-L112 HydrophobicContact CG-CD2 3.76Å; W102-L112 HydrophobicContact CB-CD2 4.34Å; W102-L112 HydrophobicContact CD2-CB 4.11Å; W102-L112 HydrophobicContact CD2-CD1 4.32Å; W102-L112 HydrophobicContact CE3-CD1 4.32Å; W102-L112 HydrophobicContact CG-CB 4.25Å; W102-L112 HydrophobicContact CG-CD2 4.21Å; W102-L112 HydrophobicContact CZ2-CB 4.28Å; V109-L112 WeakPolarHBondContact O-CB 3.49Å; V109-L112 PolarHBondContact O-N 3.33Å; V109-L112 VanDerWaalsContact O-N 3.14Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.29Å; L112-I115 PolarHBondContact O-N 3.32Å; L112-C116 WeakPolarHBondContact O-CB 3.3Å; L112-C116 PolarHBondContact O-N 3.02Å; L112-C116 PolarHBondContact O-SG 2.97Å; L112-F130 HydrophobicContact CD1-CE2 3.49Å; L112-F130 VanDerWaalsContact CD1-CE2 3.49Å; L112-F130 HydrophobicContact CD1-CZ 3.4Å
113Q96.7Very high96.2Very high120 Ų12061.8 Ų61.856%0.56131%0.309SS*.Hα-helixtrans-62.5-40.7178.8-71.1170.3-10.400112.2V109 E110 R111 C116 R117V109-Q113 HydrophobicContact CG1-CG 4.38Å; V109-Q113 WeakPolarHBondContact O-CG 3.5Å; V109-Q113 PolarHBondContact O-N 3.49Å; E110-Q113 PolarHBondContact O-N 2.9Å; R111-Q113 VanDerWaalsContact C-N 3.31Å; R111-Q113 PolarHBondContact O-N 2.91Å; Q113-C116 PolarHBondContact O-N 3.32Å; Q113-R117 WeakPolarHBondContact O-CB 3.14Å; Q113-R117 PolarHBondContact O-N 3.1Å
114E95.8Very high96.3Very high58 Ų5862.9 Ų62.927%0.27132%0.318SS..Hα-helixtrans-62.9-46176.1-175.555.1-143.500111.8E110 R111 L112 C116 R117 I118E110-E114 PolarHBondContact O-N 3.07Å; R111-E114 PolarHBondContact O-N 3.13Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.29Å; E114-C116 VanDerWaalsContact C-N 3.33Å; E114-C116 PolarHBondContact O-N 3.42Å; E114-R117 WeakPolarHBondContact O-CB 3.28Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-R117 VanDerWaalsContact O-N 3.16Å; E114-R117 IonicContact OE1-CZ 3.3Å; E114-R117 IonicContact OE1-NE 2.61Å; E114-R117 PolarHBondContact OE1-NE 3.38Å; E114-R117 IonicContact OE1-NH2 2.59Å; E114-R117 PolarHBondContact OE1-NH2 3.12Å; E114-R117 IonicContact OE2-CZ 3.06Å; E114-R117 IonicContact OE2-NE 3.34Å; E114-R117 PolarHBondContact OE2-NE 2.98Å; E114-R117 IonicContact OE2-NH2 3.19Å; E114-R117 PolarHBondContact OE2-NH2 2.7Å; E114-I118 HydrophobicContact CG-CD1 4.13Å; E114-I118 WeakPolarHBondContact O-CG1 3.3Å; E114-I118 PolarHBondContact O-N 3.12Å
115I97Very high96.3Very high3 Ų362.6 Ų62.62%0.01532%0.317CS..Hα-helixtrans-59.3-45.5175.3-67.8165.6000110.6W102 R111 L112 R117 I118 G119 F130 L133 A134W102-I115 HydrophobicContact CH2-CD1 3.74Å; W102-I115 HydrophobicContact CZ3-CD1 4.36Å; R111-I115 WeakPolarHBondContact O-CG1 3.43Å; R111-I115 PolarHBondContact O-N 3.29Å; R111-I115 VanDerWaalsContact O-N 3.11Å; L112-I115 PolarHBondContact O-N 3.32Å; I115-R117 VanDerWaalsContact C-N 3.31Å; I115-R117 PolarHBondContact O-N 2.88Å; I115-I118 PolarHBondContact O-N 2.91Å; I115-G119 PolarHBondContact O-N 3.46Å; I115-F130 HydrophobicContact CB-CE2 4.36Å; I115-F130 HydrophobicContact CG2-CD2 3.92Å; I115-F130 HydrophobicContact CG2-CE2 3.58Å; I115-F130 HydrophobicContact CG2-CZ 3.95Å; I115-L133 HydrophobicContact CG2-CB 3.89Å; I115-A134 HydrophobicContact CD1-CB 4.07Å
116C97.8Very high96.4Very high19 Ų1965.4 Ų65.413%0.12833%0.33CS..Hα-helixtrans-62.8-37.3177.2-70.70000112.7L112 Q113 E114 N120 F121L112-C116 WeakPolarHBondContact O-CB 3.3Å; L112-C116 PolarHBondContact O-N 3.02Å; L112-C116 PolarHBondContact O-SG 2.97Å; Q113-C116 PolarHBondContact O-N 3.32Å; E114-C116 VanDerWaalsContact C-N 3.33Å; E114-C116 PolarHBondContact O-N 3.42Å; C116-N120 PolarHBondContact O-N 2.9Å; C116-F121 HydrophobicContact CB-CB 4.46Å; C116-F121 PolarHBondContact O-N 3.13Å
117R97.6Very high96.6Very high165 Ų16564.4 Ų64.462%0.62332%0.321SS*.Hα-helixtrans-65.1-48.1176.5-175.4-177.771.3140-5.4111.2Q113 E114 I115 G119 N120Q113-R117 WeakPolarHBondContact O-CB 3.14Å; Q113-R117 PolarHBondContact O-N 3.1Å; E114-R117 WeakPolarHBondContact O-CB 3.28Å; E114-R117 PolarHBondContact O-N 3.36Å; E114-R117 VanDerWaalsContact O-N 3.16Å; E114-R117 IonicContact OE1-CZ 3.3Å; E114-R117 IonicContact OE1-NE 2.61Å; E114-R117 PolarHBondContact OE1-NE 3.38Å; E114-R117 IonicContact OE1-NH2 2.59Å; E114-R117 PolarHBondContact OE1-NH2 3.12Å; E114-R117 IonicContact OE2-CZ 3.06Å; E114-R117 IonicContact OE2-NE 3.34Å; E114-R117 PolarHBondContact OE2-NE 2.98Å; E114-R117 IonicContact OE2-NH2 3.19Å; E114-R117 PolarHBondContact OE2-NH2 2.7Å; I115-R117 VanDerWaalsContact C-N 3.31Å; I115-R117 PolarHBondContact O-N 2.88Å; R117-G119 VanDerWaalsContact C-N 3.31Å; R117-G119 PolarHBondContact O-N 3.37Å; R117-N120 PolarHBondContact O-N 3.32Å; R117-N120 PolarHBondContact O-OD1 2.91Å; R117-N120 VanDerWaalsContact O-OD1 3.07Å
118I96.8Very high96.7Very high76 Ų7667.6 Ų67.639%0.3933%0.333SS..Hα-helixtrans-61.2-42.9178.2-64.2164.8000110.5E114 I115 N120 L133 I179E114-I118 HydrophobicContact CG-CD1 4.13Å; E114-I118 WeakPolarHBondContact O-CG1 3.3Å; E114-I118 PolarHBondContact O-N 3.12Å; I115-I118 PolarHBondContact O-N 2.91Å; I118-N120 VanDerWaalsContact C-N 3.26Å; I118-N120 PolarHBondContact O-N 3.08Å; I118-L133 HydrophobicContact CB-CD1 4.37Å; I118-L133 HydrophobicContact CG2-CD1 4.13Å; I118-L133 HydrophobicContact CG2-CD2 3.64Å; I118-I179 HydrophobicContact CG2-CG2 4.08Å
119G96.9Very high96.9Very high15 Ų1567.5 Ų67.516%0.15533%0.327CS..THydrogen-bonded Turntrans-78-4.318000000115.4I115 R117 F121I115-G119 PolarHBondContact O-N 3.46Å; R117-G119 VanDerWaalsContact C-N 3.31Å; R117-G119 PolarHBondContact O-N 3.37Å; G119-F121 VanDerWaalsContact O-CD1 3.27Å; G119-F121 WeakPolarHBondContact O-CD1 3.5Å; G119-F121 WeakPolarHBondContact O-CE1 3.35Å; G119-F121 PolarHBondContact O-N 3.15Å
120N97.3Very high97.1Very high138 Ų13865.9 Ų65.974%0.73832%0.318SS*.THydrogen-bonded Turntrans48.338.2-169.1-67.9-20.5000112.7C116 R117 I118C116-N120 PolarHBondContact O-N 2.9Å; R117-N120 PolarHBondContact O-N 3.32Å; R117-N120 PolarHBondContact O-OD1 2.91Å; R117-N120 VanDerWaalsContact O-OD1 3.07Å; I118-N120 VanDerWaalsContact C-N 3.26Å; I118-N120 PolarHBondContact O-N 3.08Å
121F97.7Very high97.3Very high26 Ų2659.9 Ų59.911%0.11429%0.289CS..  trans-79.3127.7-179.1-56.1-41.7000110.6L95 C116 G119 C125 W129 F130 L133L95-F121 HydrophobicContact CD1-CB 4.15Å; L95-F121 WeakPolarHBondContact CD1-O 3.47Å; L95-F121 HydrophobicContact CD2-CB 4.01Å; C116-F121 HydrophobicContact CB-CB 4.46Å; C116-F121 PolarHBondContact O-N 3.13Å; G119-F121 VanDerWaalsContact O-CD1 3.27Å; G119-F121 WeakPolarHBondContact O-CD1 3.5Å; G119-F121 WeakPolarHBondContact O-CE1 3.35Å; G119-F121 PolarHBondContact O-N 3.15Å; F121-C125 HydrophobicContact CB-CB 3.99Å; F121-C125 HydrophobicContact CD1-CB 3.42Å; F121-C125 VanDerWaalsContact CD1-CB 3.42Å; F121-C125 HydrophobicContact CD2-CB 4.16Å; F121-C125 HydrophobicContact CE1-CB 3.9Å; F121-C125 HydrophobicContact CG-CB 3.59Å; F121-C125 HydrophobicContact CZ-CB 4.46Å; F121-W129 HydrophobicContact CE1-CB 4.03Å; F121-W129 HydrophobicContact CZ-CB 3.86Å; F121-F130 AromaticContact CD2-CD2 3.96Å; F121-F130 HydrophobicContact CD2-CD2 3.96Å; F121-F130 HydrophobicContact CE2-CB 4.04Å; F121-F130 AromaticContact CE2-CD2 3.9Å; F121-F130 HydrophobicContact CE2-CD2 3.9Å; F121-F130 HydrophobicContact CE2-CG 4.43Å; F121-F130 HydrophobicContact CZ-CB 4.46Å; F121-L133 HydrophobicContact CE2-CD1 3.84Å; F121-L133 HydrophobicContact CZ-CD1 3.87Å
122V96.2Very high97.5Very high106 Ų10655.5 Ų55.564%0.64227%0.273SS*.  trans-132.5119.7179.6-175.80000109.3I124V122-I124 PolarHBondContact O-N 3.33Å
123N97.2Very high97.6Very high127 Ų12755.4 Ų55.468%0.67927%0.272SS*.SBendtrans62.9-46.1-177.5-56.6-43.6000115.9S94 L95S94-N123 CarbonylContact C-O 3.56Å; S94-N123 VanDerWaalsContact CA-O 3.32Å; S94-N123 WeakPolarHBondContact CA-O 3.47Å; L95-N123 PolarHBondContact N-O 3.2Å
124I98.1Very high97.6Very high99 Ų9949.7 Ų49.751%0.50825%0.246SC..EExtended strand (participates in β ladder)trans-137.2157.7179.163.2174.6000110.4I92 V93 V122I92-I124 HydrophobicContact CG2-CB 4.18Å; I92-I124 HydrophobicContact CG2-CD1 4.07Å; V93-I124 CarbonylContact O-C 3.59Å; V93-I124 VanDerWaalsContact O-CA 3.26Å; V93-I124 WeakPolarHBondContact O-CA 3.41Å; V122-I124 PolarHBondContact O-N 3.33Å
125C97.4Very high97.6Very high7 Ų746.9 Ų46.95%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-148158.4168.164.30000110.9I92 V93 L95 I98 F121 W127I92-C125 WeakPolarHBondContact CA-O 3.49Å; V93-C125 PolarHBondContact N-O 2.75Å; V93-C125 PolarHBondContact O-N 3.34Å; L95-C125 HydrophobicContact CD2-CB 4.43Å; I98-C125 WeakPolarHBondContact CD1-SG 3.35Å; F121-C125 HydrophobicContact CB-CB 3.99Å; F121-C125 HydrophobicContact CD1-CB 3.42Å; F121-C125 VanDerWaalsContact CD1-CB 3.42Å; F121-C125 HydrophobicContact CD2-CB 4.16Å; F121-C125 HydrophobicContact CE1-CB 3.9Å; F121-C125 HydrophobicContact CG-CB 3.59Å; F121-C125 HydrophobicContact CZ-CB 4.46Å; C125-W127 PolarHBondContact O-N 3.34Å
126E97.9Very high97.5Very high75 Ų7548.6 Ų48.635%0.3525%0.245SC..EExtended strand (participates in β ladder)trans-68.9127.5161.6-67.1-178.4-116.700109.2K91 I92 R128 W129 F130K91-E126 CarbonylContact O-C 3.54Å; K91-E126 VanDerWaalsContact O-CA 3.29Å; K91-E126 WeakPolarHBondContact O-CA 3.49Å; I92-E126 HydrophobicContact CG1-CG 4.2Å; E126-R128 HydrophobicContact CB-CG 4.27Å; E126-R128 PolarHBondContact O-N 3.5Å; E126-R128 IonicContact OE1-NH2 3.93Å; E126-R128 IonicContact OE2-CZ 2.73Å; E126-R128 IonicContact OE2-NE 3.92Å; E126-R128 PolarHBondContact OE2-NE 3.25Å; E126-R128 IonicContact OE2-NH2 2.6Å; E126-R128 PolarHBondContact OE2-NH2 2.81Å; E126-W129 HydrophobicContact CB-CG 4.25Å; E126-W129 VanDerWaalsContact CD-NE1 3.26Å; E126-W129 PolarHBondContact O-N 3.09Å; E126-W129 VanDerWaalsContact O-N 3.1Å; E126-W129 PolarHBondContact OE1-NE1 3.14Å; E126-W129 PolarHBondContact OE2-NE1 2.84Å; E126-F130 PolarHBondContact O-N 3.18Å
127W98.3Very high97.3Very high7 Ų749.8 Ų49.83%0.02725%0.25CC..Hα-helixtrans-54.6-40.4-177.1174.4-107.7000112.4L83 N84 L87 A88 K91 V93 I98 C125 W129 F130 L131L83-W127 HydrophobicContact CB-CH2 3.66Å; L83-W127 HydrophobicContact CB-CZ2 3.96Å; N84-W127 HydrophobicContact CB-CZ2 4.26Å; N84-W127 PolarHBondContact OD1-NE1 3.34Å; L87-W127 HydrophobicContact CB-CD2 3.74Å; L87-W127 HydrophobicContact CB-CE3 3.71Å; L87-W127 HydrophobicContact CB-CG 4.38Å; L87-W127 HydrophobicContact CB-CH2 4.28Å; L87-W127 HydrophobicContact CB-CZ2 4.27Å; L87-W127 HydrophobicContact CB-CZ3 4Å; L87-W127 HydrophobicContact CD1-CE3 3.84Å; L87-W127 HydrophobicContact CD1-CH2 3.74Å; L87-W127 HydrophobicContact CD1-CZ2 4.48Å; L87-W127 HydrophobicContact CD1-CZ3 3.34Å; L87-W127 HydrophobicContact CG-CE3 4.43Å; L87-W127 HydrophobicContact CG-CZ3 4.3Å; A88-W127 VanDerWaalsContact CA-CD1 3.42Å; K91-W127 PolarHBondContact O-N 3.05Å; V93-W127 HydrophobicContact CG2-CB 3.94Å; V93-W127 HydrophobicContact CG2-CE3 4.41Å; I98-W127 HydrophobicContact CD1-CE3 4.27Å; I98-W127 HydrophobicContact CD1-CZ3 4.22Å; I98-W127 HydrophobicContact CG1-CZ3 4.3Å; C125-W127 PolarHBondContact O-N 3.34Å; W127-W129 VanDerWaalsContact C-N 3.29Å; W127-W129 PolarHBondContact O-N 3.17Å; W127-F130 HydrophobicContact CE3-CB 4.45Å; W127-F130 HydrophobicContact CE3-CD1 4.19Å; W127-F130 AromaticContact CH2-CD1 3.87Å; W127-F130 HydrophobicContact CH2-CD1 3.87Å; W127-F130 HydrophobicContact CH2-CE1 4.24Å; W127-F130 AromaticContact CZ3-CD1 3.5Å; W127-F130 HydrophobicContact CZ3-CD1 3.5Å; W127-F130 HydrophobicContact CZ3-CE1 4.06Å; W127-F130 HydrophobicContact CZ3-CG 4.24Å; W127-F130 PolarHBondContact O-N 3.48Å; W127-L131 HydrophobicContact CZ2-CB 4.49Å; W127-L131 HydrophobicContact CZ2-CD1 4Å; W127-L131 WeakPolarHBondContact O-CB 3.33Å; W127-L131 PolarHBondContact O-N 3.27Å
128R97.8Very high97.1Very high77 Ų7743.6 Ų43.629%0.29123%0.229SC..Hα-helixtrans-58.9-38.4-179.759.4174172.6173.84.6112.6E126 L131 A132 E171 F172E126-R128 HydrophobicContact CB-CG 4.27Å; E126-R128 PolarHBondContact O-N 3.5Å; E126-R128 IonicContact OE1-NH2 3.93Å; E126-R128 IonicContact OE2-CZ 2.73Å; E126-R128 IonicContact OE2-NE 3.92Å; E126-R128 PolarHBondContact OE2-NE 3.25Å; E126-R128 IonicContact OE2-NH2 2.6Å; E126-R128 PolarHBondContact OE2-NH2 2.81Å; R128-L131 WeakPolarHBondContact O-CB 3.4Å; R128-L131 PolarHBondContact O-N 3.39Å; R128-A132 WeakPolarHBondContact O-CB 3.46Å; R128-A132 PolarHBondContact O-N 3.49Å; R128-E171 IonicContact CZ-OE2 2.77Å; R128-E171 IonicContact NH1-OE1 3.79Å; R128-E171 PolarHBondContact NH1-OE1 2.82Å; R128-E171 IonicContact NH1-OE2 2.8Å; R128-E171 PolarHBondContact NH1-OE2 3.12Å; R128-F172 HydrophobicContact CB-CE1 3.97Å; R128-F172 HydrophobicContact CB-CZ 3.82Å; R128-F172 WeakPolarHBondContact O-CE1 3.38Å
129W98.4Very high96.9Very high39 Ų3941.6 Ų41.615%0.14822%0.221CC..Hα-helixtrans-73.1-38.4179.8-54.6144.3000111.6F121 E126 W127 A132 L133 E171 F172 Y175F121-W129 HydrophobicContact CE1-CB 4.03Å; F121-W129 HydrophobicContact CZ-CB 3.86Å; E126-W129 HydrophobicContact CB-CG 4.25Å; E126-W129 VanDerWaalsContact CD-NE1 3.26Å; E126-W129 PolarHBondContact O-N 3.09Å; E126-W129 VanDerWaalsContact O-N 3.1Å; E126-W129 PolarHBondContact OE1-NE1 3.14Å; E126-W129 PolarHBondContact OE2-NE1 2.84Å; W127-W129 VanDerWaalsContact C-N 3.29Å; W127-W129 PolarHBondContact O-N 3.17Å; W129-A132 PolarHBondContact O-N 3.2Å; W129-L133 PolarHBondContact O-N 2.87Å; W129-E171 HydrophobicContact CH2-CB 4.06Å; W129-F172 HydrophobicContact CZ3-CD1 4.41Å; W129-Y175 HydrophobicContact CB-CE1 3.95Å; W129-Y175 HydrophobicContact CB-CE2 4.15Å; W129-Y175 HydrophobicContact CD2-CD1 4.35Å; W129-Y175 HydrophobicContact CD2-CD2 4.04Å; W129-Y175 HydrophobicContact CD2-CE2 4.23Å; W129-Y175 HydrophobicContact CD2-CG 4.11Å; W129-Y175 AromaticContact CE3-CD1 3.64Å; W129-Y175 HydrophobicContact CE3-CD1 3.64Å; W129-Y175 AromaticContact CE3-CD2 3.92Å; W129-Y175 HydrophobicContact CE3-CD2 3.92Å; W129-Y175 HydrophobicContact CE3-CE1 4.13Å; W129-Y175 HydrophobicContact CE3-CE2 4.41Å; W129-Y175 AromaticContact CE3-CG 3.51Å; W129-Y175 HydrophobicContact CE3-CG 3.51Å; W129-Y175 HydrophobicContact CG-CD2 4.41Å; W129-Y175 HydrophobicContact CG-CE1 4.47Å; W129-Y175 HydrophobicContact CG-CE2 4.11Å; W129-Y175 HydrophobicContact CZ3-CD1 4.23Å; W129-Y175 HydrophobicContact CZ3-CD2 4.37Å; W129-Y175 AromaticContact CZ3-CG 3.82Å; W129-Y175 HydrophobicContact CZ3-CG 3.82Å
130F98.6Very high96.6Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-60.7-47170.5-174.1-83.3000111.6I98 W102 L112 I115 F121 E126 W127 A132 L133 A134I98-F130 HydrophobicContact CD1-CD1 4.46Å; I98-F130 HydrophobicContact CD1-CD2 3.95Å; I98-F130 HydrophobicContact CD1-CE2 4.34Å; I98-F130 HydrophobicContact CD1-CG 4.03Å; I98-F130 HydrophobicContact CG2-CD1 4.49Å; I98-F130 HydrophobicContact CG2-CD2 4.49Å; I98-F130 HydrophobicContact CG2-CE1 3.92Å; I98-F130 HydrophobicContact CG2-CE2 3.92Å; I98-F130 HydrophobicContact CG2-CZ 3.61Å; W102-F130 HydrophobicContact CE3-CZ 4.36Å; W102-F130 HydrophobicContact CZ3-CE1 4.21Å; W102-F130 HydrophobicContact CZ3-CZ 4.1Å; L112-F130 HydrophobicContact CD1-CE2 3.49Å; L112-F130 VanDerWaalsContact CD1-CE2 3.49Å; L112-F130 HydrophobicContact CD1-CZ 3.4Å; I115-F130 HydrophobicContact CB-CE2 4.36Å; I115-F130 HydrophobicContact CG2-CD2 3.92Å; I115-F130 HydrophobicContact CG2-CE2 3.58Å; I115-F130 HydrophobicContact CG2-CZ 3.95Å; F121-F130 AromaticContact CD2-CD2 3.96Å; F121-F130 HydrophobicContact CD2-CD2 3.96Å; F121-F130 HydrophobicContact CE2-CB 4.04Å; F121-F130 AromaticContact CE2-CD2 3.9Å; F121-F130 HydrophobicContact CE2-CD2 3.9Å; F121-F130 HydrophobicContact CE2-CG 4.43Å; F121-F130 HydrophobicContact CZ-CB 4.46Å; E126-F130 PolarHBondContact O-N 3.18Å; W127-F130 HydrophobicContact CE3-CB 4.45Å; W127-F130 HydrophobicContact CE3-CD1 4.19Å; W127-F130 AromaticContact CH2-CD1 3.87Å; W127-F130 HydrophobicContact CH2-CD1 3.87Å; W127-F130 HydrophobicContact CH2-CE1 4.24Å; W127-F130 AromaticContact CZ3-CD1 3.5Å; W127-F130 HydrophobicContact CZ3-CD1 3.5Å; W127-F130 HydrophobicContact CZ3-CE1 4.06Å; W127-F130 HydrophobicContact CZ3-CG 4.24Å; W127-F130 PolarHBondContact O-N 3.48Å; F130-A132 VanDerWaalsContact C-N 3.3Å; F130-A132 PolarHBondContact O-N 3.48Å; F130-L133 PolarHBondContact O-N 2.81Å; F130-A134 HydrophobicContact CD1-CB 4.47Å; F130-A134 HydrophobicContact CE1-CB 4.19Å; F130-A134 WeakPolarHBondContact O-CB 3.34Å; F130-A134 PolarHBondContact O-N 3.42Å
131L98.5Very high96.5Very high1 Ų141 Ų411%0.00523%0.229CC..Hα-helixtrans-57.7-42.7177-176.574000111.6L80 N84 W127 R128 A134 A135 L152 L153L80-L131 HydrophobicContact CD1-CD1 3.79Å; L80-L131 HydrophobicContact CD2-CD1 4.25Å; L80-L131 HydrophobicContact CG-CD1 3.77Å; N84-L131 HydrophobicContact CB-CD1 4.03Å; N84-L131 WeakPolarHBondContact OD1-CD2 3.44Å; W127-L131 HydrophobicContact CZ2-CB 4.49Å; W127-L131 HydrophobicContact CZ2-CD1 4Å; W127-L131 WeakPolarHBondContact O-CB 3.33Å; W127-L131 PolarHBondContact O-N 3.27Å; R128-L131 WeakPolarHBondContact O-CB 3.4Å; R128-L131 PolarHBondContact O-N 3.39Å; L131-A134 PolarHBondContact O-N 3.08Å; L131-A135 VanDerWaalsContact O-CB 3.29Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.04Å; L131-L152 HydrophobicContact CD1-CD1 4.15Å; L131-L153 HydrophobicContact CD2-CD1 4.16Å; L131-L153 HydrophobicContact CD2-CD2 3.69Å; L131-L153 HydrophobicContact CD2-CG 4.06Å
132A98.5Very high96.5Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-61.1-46.2179.400000111.9R128 W129 F130 A135 S136 I149 F172 Y175 L176R128-A132 WeakPolarHBondContact O-CB 3.46Å; R128-A132 PolarHBondContact O-N 3.49Å; W129-A132 PolarHBondContact O-N 3.2Å; F130-A132 VanDerWaalsContact C-N 3.3Å; F130-A132 PolarHBondContact O-N 3.48Å; A132-A135 PolarHBondContact O-N 3.45Å; A132-S136 PolarHBondContact O-N 2.91Å; A132-I149 HydrophobicContact CB-CD1 4.19Å; A132-F172 HydrophobicContact CB-CD1 3.8Å; A132-F172 HydrophobicContact CB-CE1 4.06Å; A132-Y175 HydrophobicContact CB-CD1 3.98Å; A132-Y175 HydrophobicContact CB-CE1 4.07Å; A132-L176 HydrophobicContact CB-CD1 4.49Å; A132-L176 HydrophobicContact CB-CD2 4.09Å; A132-L176 HydrophobicContact CB-CG 4.3Å
133L98.2Very high96.5Very high5 Ų535.2 Ų35.23%0.02620%0.197CC..Hα-helixtrans-70.7-37.7178.1-74.1177.8000113.4I115 I118 F121 W129 F130 A135 S136 D137 Y175 I179I115-L133 HydrophobicContact CG2-CB 3.89Å; I118-L133 HydrophobicContact CB-CD1 4.37Å; I118-L133 HydrophobicContact CG2-CD1 4.13Å; I118-L133 HydrophobicContact CG2-CD2 3.64Å; F121-L133 HydrophobicContact CE2-CD1 3.84Å; F121-L133 HydrophobicContact CZ-CD1 3.87Å; W129-L133 PolarHBondContact O-N 2.87Å; F130-L133 PolarHBondContact O-N 2.81Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 3.34Å; L133-S136 WeakPolarHBondContact CA-OG 3.21Å; L133-S136 PolarHBondContact O-N 3.28Å; L133-S136 PolarHBondContact O-OG 2.98Å; L133-D137 PolarHBondContact O-N 3.49Å; L133-D137 VanDerWaalsContact O-N 3.12Å; L133-Y175 WeakPolarHBondContact CD1-OH 3.49Å; L133-Y175 HydrophobicContact CG-CE1 4.14Å; L133-I179 HydrophobicContact CD1-CD1 4.49Å; L133-I179 HydrophobicContact CD2-CD1 3.57Å; L133-I179 HydrophobicContact CG-CD1 4.25Å
134A97Very high96.4Very high0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-65.6-34.1173.500000111.6L75 L80 I115 F130 L131L75-A134 HydrophobicContact CD2-CB 4.31Å; L80-A134 HydrophobicContact CD1-CB 3.63Å; L80-A134 HydrophobicContact CD2-CB 4.04Å; I115-A134 HydrophobicContact CD1-CB 4.07Å; F130-A134 HydrophobicContact CD1-CB 4.47Å; F130-A134 HydrophobicContact CE1-CB 4.19Å; F130-A134 WeakPolarHBondContact O-CB 3.34Å; F130-A134 PolarHBondContact O-N 3.42Å; L131-A134 PolarHBondContact O-N 3.08Å
135A97Very high96.4Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-70-37.6173.300000111.7L80 L131 A132 L133 D137 L138 T145 L148 I149 L152L80-A135 HydrophobicContact CD2-CB 3.98Å; L131-A135 VanDerWaalsContact O-CB 3.29Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.04Å; A132-A135 PolarHBondContact O-N 3.45Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 3.34Å; A135-D137 VanDerWaalsContact C-N 3.34Å; A135-D137 PolarHBondContact O-N 3.3Å; A135-L138 PolarHBondContact O-N 2.88Å; A135-T145 HydrophobicContact CB-CG2 4.13Å; A135-L148 HydrophobicContact CB-CD2 3.94Å; A135-L148 HydrophobicContact CB-CG 4.27Å; A135-I149 HydrophobicContact CB-CD1 4.49Å; A135-I149 HydrophobicContact CB-CG1 3.94Å; A135-L152 HydrophobicContact CB-CD1 4.48Å
136S95.5Very high96.4Very high39 Ų3928.4 Ų28.427%0.27316%0.158SC..Hα-helixtrans-66.9-33.3177.764.20000112.9A132 L133 L138 C139A132-S136 PolarHBondContact O-N 2.91Å; L133-S136 WeakPolarHBondContact CA-OG 3.21Å; L133-S136 PolarHBondContact O-N 3.28Å; L133-S136 PolarHBondContact O-OG 2.98Å; S136-L138 PolarHBondContact O-N 3.46Å; S136-L138 VanDerWaalsContact O-N 3.14Å; S136-C139 PolarHBondContact O-N 2.88Å; S136-C139 VanDerWaalsContact O-O 3.12Å
137D93Very high96.4Very high43 Ų4328.8 Ų28.823%0.2316%0.159CC..THydrogen-bonded Turntrans-63.4-16.8174.6-169.962.8000113R111 L133 A135R111-D137 IonicContact NH1-OD1 2.75Å; R111-D137 PolarHBondContact NH1-OD1 3.36Å; R111-D137 IonicContact NH1-OD2 3.04Å; L133-D137 PolarHBondContact O-N 3.49Å; L133-D137 VanDerWaalsContact O-N 3.12Å; A135-D137 VanDerWaalsContact C-N 3.34Å; A135-D137 PolarHBondContact O-N 3.3Å
138L92.6Very high96.3Very high35 Ų3528.9 Ų28.918%0.18316%0.159CC..THydrogen-bonded Turntrans-95.8-8.9178.6-62.4177.5000114.2L75 P77 L80 A135 S136 L148L75-L138 HydrophobicContact CB-CD2 4.02Å; L75-L138 HydrophobicContact CD2-CD1 4.15Å; L75-L138 HydrophobicContact CD2-CD2 4.02Å; L75-L138 HydrophobicContact CD2-CG 4.03Å; L75-L138 HydrophobicContact CG-CD1 4.12Å; L75-L138 HydrophobicContact CG-CD2 3.93Å; L75-L138 HydrophobicContact CG-CG 4.28Å; L75-L138 VanDerWaalsContact O-CD2 3.24Å; L75-L138 WeakPolarHBondContact O-CD2 3.49Å; P77-L138 HydrophobicContact CG-CD1 4.41Å; L80-L138 HydrophobicContact CD2-CD1 4.13Å; A135-L138 PolarHBondContact O-N 2.88Å; S136-L138 PolarHBondContact O-N 3.46Å; S136-L138 VanDerWaalsContact O-N 3.14Å; L138-L148 HydrophobicContact CB-CD2 4.12Å; L138-L148 HydrophobicContact CD1-CD2 3.94Å
139C93.3Very high96.3Very high34 Ų3425.2 Ų25.223%0.2315%0.146CC..  trans-124.8149-167.5-70.90000111.2S136 E144 T145S136-C139 PolarHBondContact O-N 2.88Å; S136-C139 VanDerWaalsContact O-O 3.12Å; C139-E144 HydrophobicContact CB-CB 3.8Å; C139-T145 WeakPolarHBondContact CB-OG1 3.32Å
140A91.4Very high96.3Very high96 Ų9623.3 Ų23.379%0.79314%0.139SC*.SBendtrans-86.6-19.2179.300000112.5E144A140-E144 WeakPolarHBondContact CB-OE2 3.49Å; A140-E144 PolarHBondContact N-OE2 3.29Å
141T94.3Very high96.2Very high44 Ų4427.5 Ų27.527%0.2716%0.158SC..SBendtrans-134.9156.7-174.660.50000111.7S143 E144 T145 E222T141-S143 PolarHBondContact O-N 3.36Å; T141-E144 PolarHBondContact N-OE2 3.23Å; T141-E144 PolarHBondContact O-N 3.4Å; T141-E144 WeakPolarHBondContact OG1-CB 3.16Å; T141-E144 VanDerWaalsContact OG1-CD 3.29Å; T141-E144 WeakPolarHBondContact OG1-CG 3.34Å; T141-E144 PolarHBondContact OG1-N 3.45Å; T141-E144 VanDerWaalsContact OG1-N 3.15Å; T141-E144 PolarHBondContact OG1-OE2 2.59Å; T141-T145 PolarHBondContact O-N 3.35Å; T141-T145 PolarHBondContact O-OG1 3.48Å; T141-E222 WeakPolarHBondContact CB-OE1 3.06Å; T141-E222 HydrophobicContact CG2-CG 4.2Å
142L96.6Very high96.1Very high7 Ų727.7 Ų27.74%0.03716%0.159CC..Hα-helixtrans-62.2-37.1173.7177.553.3000110.5T145 L146 Y173 L176 I182 L218 N219 E222L142-T145 WeakPolarHBondContact O-CB 3.36Å; L142-T145 PolarHBondContact O-N 2.83Å; L142-L146 HydrophobicContact CD1-CD1 3.97Å; L142-L146 HydrophobicContact CD1-CG 4.24Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 PolarHBondContact O-N 3.38Å; L142-Y173 HydrophobicContact CD2-CD2 3.97Å; L142-Y173 HydrophobicContact CD2-CE2 3.7Å; L142-L176 HydrophobicContact CD1-CB 3.52Å; L142-L176 HydrophobicContact CD1-CD1 3.75Å; L142-L176 HydrophobicContact CD1-CG 4.26Å; L142-I182 HydrophobicContact CD2-CD1 3.55Å; L142-L218 HydrophobicContact CD2-CB 4.08Å; L142-L218 HydrophobicContact CG-CB 4.16Å; L142-N219 HydrophobicContact CB-CB 4.25Å; L142-N219 HydrophobicContact CD2-CB 4.1Å; L142-E222 WeakPolarHBondContact CA-OE1 3.45Å; L142-E222 VanDerWaalsContact CB-OE1 3.29Å; L142-E222 WeakPolarHBondContact CB-OE1 3.45Å; L142-E222 PolarHBondContact N-OE1 2.94Å
143S96.4Very high96Very high5 Ų529.8 Ų29.84%0.03517%0.17CC..Hα-helixtrans-63.5-42.6176.7-54.30000113.2T141 K147 E222T141-S143 PolarHBondContact O-N 3.36Å; S143-K147 WeakPolarHBondContact O-CB 3.42Å; S143-K147 PolarHBondContact O-N 2.99Å; S143-E222 PolarHBondContact N-OE1 3.38Å; S143-E222 PolarHBondContact OG-OE2 2.81Å
144E95.9Very high95.9Very high85 Ų8530.8 Ų30.840%0.39718%0.177SC..Hα-helixtrans-66.8-38.5173-74.2168150.700112.1C139 A140 T141 K147 L148C139-E144 HydrophobicContact CB-CB 3.8Å; A140-E144 WeakPolarHBondContact CB-OE2 3.49Å; A140-E144 PolarHBondContact N-OE2 3.29Å; T141-E144 PolarHBondContact N-OE2 3.23Å; T141-E144 PolarHBondContact O-N 3.4Å; T141-E144 WeakPolarHBondContact OG1-CB 3.16Å; T141-E144 VanDerWaalsContact OG1-CD 3.29Å; T141-E144 WeakPolarHBondContact OG1-CG 3.34Å; T141-E144 PolarHBondContact OG1-N 3.45Å; T141-E144 VanDerWaalsContact OG1-N 3.15Å; T141-E144 PolarHBondContact OG1-OE2 2.59Å; E144-K147 WeakPolarHBondContact O-CB 3.03Å; E144-K147 PolarHBondContact O-N 3.19Å; E144-L148 WeakPolarHBondContact O-CB 3.49Å; E144-L148 PolarHBondContact O-N 3.14Å
145T97.2Very high95.7Very high4 Ų435.9 Ų35.93%0.02522%0.218CC..Hα-helixtrans-58.4-50.3175-57.20000111.3A135 C139 T141 L142 K147 L148 I149 L176A135-T145 HydrophobicContact CB-CG2 4.13Å; C139-T145 WeakPolarHBondContact CB-OG1 3.32Å; T141-T145 PolarHBondContact O-N 3.35Å; T141-T145 PolarHBondContact O-OG1 3.48Å; L142-T145 WeakPolarHBondContact O-CB 3.36Å; L142-T145 PolarHBondContact O-N 2.83Å; T145-K147 VanDerWaalsContact C-N 3.33Å; T145-K147 PolarHBondContact O-N 3.4Å; T145-L148 WeakPolarHBondContact O-CB 3.38Å; T145-L148 PolarHBondContact O-N 3.27Å; T145-L148 VanDerWaalsContact O-N 3.17Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 WeakPolarHBondContact O-CG1 3.49Å; T145-I149 PolarHBondContact O-N 2.92Å; T145-L176 HydrophobicContact CG2-CD1 3.61Å
146L98.2Very high95.6Very high0 Ų037.7 Ų37.70%023%0.228CC..Hα-helixtrans-68.4-32.2179.9-75.7164.3000112.6L142 I149 C150 W169 F172 Y173 L176 F210 L218L142-L146 HydrophobicContact CD1-CD1 3.97Å; L142-L146 HydrophobicContact CD1-CG 4.24Å; L142-L146 HydrophobicContact CG-CD1 4.09Å; L142-L146 PolarHBondContact O-N 3.38Å; L146-I149 HydrophobicContact CD2-CD1 4.28Å; L146-I149 PolarHBondContact O-N 3.19Å; L146-C150 PolarHBondContact O-N 3.18Å; L146-C150 PolarHBondContact O-SG 3.47Å; L146-W169 HydrophobicContact CD1-CZ2 3.87Å; L146-F172 HydrophobicContact CD2-CB 3.77Å; L146-Y173 HydrophobicContact CD1-CD2 3.79Å; L146-Y173 HydrophobicContact CD1-CG 4.19Å; L146-L176 HydrophobicContact CD2-CD1 4.25Å; L146-L176 HydrophobicContact CG-CD1 4.38Å; L146-F210 HydrophobicContact CB-CE2 4Å; L146-F210 HydrophobicContact CB-CZ 4.09Å; L146-L218 HydrophobicContact CD1-CD1 3.44Å; L146-L218 VanDerWaalsContact CD1-CD1 3.44Å
147K97.5Very high95.4Very high84 Ų8440.7 Ų40.737%0.36525%0.247SC..Hα-helixtrans-61.1-47.9169.2171.8-176.7170.6-162.70111S143 E144 T145 I149 C150 E151 P207 F210 M211S143-K147 WeakPolarHBondContact O-CB 3.42Å; S143-K147 PolarHBondContact O-N 2.99Å; E144-K147 WeakPolarHBondContact O-CB 3.03Å; E144-K147 PolarHBondContact O-N 3.19Å; T145-K147 VanDerWaalsContact C-N 3.33Å; T145-K147 PolarHBondContact O-N 3.4Å; K147-I149 VanDerWaalsContact C-N 3.34Å; K147-I149 PolarHBondContact O-N 3.45Å; K147-C150 VanDerWaalsContact O-CB 3.3Å; K147-C150 WeakPolarHBondContact O-CB 3.07Å; K147-C150 PolarHBondContact O-N 3.03Å; K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 IonicContact NZ-OE1 3.19Å; K147-E151 WeakPolarHBondContact O-CG 3.49Å; K147-E151 PolarHBondContact O-N 3.37Å; K147-P207 HydrophobicContact CB-CB 4.23Å; K147-P207 HydrophobicContact CB-CG 4.3Å; K147-P207 HydrophobicContact CD-CB 4.38Å; K147-P207 HydrophobicContact CG-CB 3.88Å; K147-P207 HydrophobicContact CG-CG 3.88Å; K147-F210 HydrophobicContact CB-CE2 4.15Å; K147-F210 HydrophobicContact CB-CZ 4.37Å; K147-M211 HydrophobicContact CB-SD 4.27Å; K147-M211 HydrophobicContact CD-SD 4.16Å
148L96.6Very high94.9Very high8 Ų845 Ų454%0.04227%0.265CS..Hα-helixtrans-61.7-42.7178175.357.6000111.2P77 A135 L138 E144 T145 C150 E151 L152P77-L148 HydrophobicContact CB-CD1 3.76Å; P77-L148 HydrophobicContact CG-CD1 4.11Å; A135-L148 HydrophobicContact CB-CD2 3.94Å; A135-L148 HydrophobicContact CB-CG 4.27Å; L138-L148 HydrophobicContact CB-CD2 4.12Å; L138-L148 HydrophobicContact CD1-CD2 3.94Å; E144-L148 WeakPolarHBondContact O-CB 3.49Å; E144-L148 PolarHBondContact O-N 3.14Å; T145-L148 WeakPolarHBondContact O-CB 3.38Å; T145-L148 PolarHBondContact O-N 3.27Å; T145-L148 VanDerWaalsContact O-N 3.17Å; L148-C150 VanDerWaalsContact C-N 3.28Å; L148-C150 PolarHBondContact O-N 2.8Å; L148-E151 PolarHBondContact O-N 3.34Å; L148-E151 VanDerWaalsContact O-N 3.12Å; L148-L152 HydrophobicContact CD1-CD1 4Å; L148-L152 HydrophobicContact CD1-CD2 4.42Å; L148-L152 HydrophobicContact CD1-CG 3.95Å; L148-L152 HydrophobicContact CG-CD1 3.82Å; L148-L152 HydrophobicContact CG-CG 4.26Å; L148-L152 WeakPolarHBondContact O-CB 3.29Å; L148-L152 VanDerWaalsContact O-CG 3.22Å; L148-L152 WeakPolarHBondContact O-CG 3.36Å; L148-L152 PolarHBondContact O-N 3.48Å
149I98.3Very high94.5Very high0 Ų047.3 Ų47.30%030%0.298CS..Hα-helixtrans-58.1-41.7174.7-69.8167.3000111.3A132 A135 T145 L146 K147 L152 L153 L164 F172 L176A132-I149 HydrophobicContact CB-CD1 4.19Å; A135-I149 HydrophobicContact CB-CD1 4.49Å; A135-I149 HydrophobicContact CB-CG1 3.94Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 WeakPolarHBondContact O-CG1 3.49Å; T145-I149 PolarHBondContact O-N 2.92Å; L146-I149 HydrophobicContact CD2-CD1 4.28Å; L146-I149 PolarHBondContact O-N 3.19Å; K147-I149 VanDerWaalsContact C-N 3.34Å; K147-I149 PolarHBondContact O-N 3.45Å; I149-L152 PolarHBondContact O-N 3.44Å; I149-L153 HydrophobicContact CG2-CD1 3.77Å; I149-L153 HydrophobicContact CG2-CG 4.43Å; I149-L153 WeakPolarHBondContact O-CB 3.23Å; I149-L153 WeakPolarHBondContact O-CG 3.37Å; I149-L153 PolarHBondContact O-N 3.1Å; I149-L164 HydrophobicContact CG2-CD1 4.42Å; I149-F172 HydrophobicContact CD1-CB 4.32Å; I149-F172 HydrophobicContact CD1-CD1 3.92Å; I149-F172 HydrophobicContact CD1-CG 4.24Å; I149-F172 HydrophobicContact CG2-CD1 4.13Å; I149-F172 HydrophobicContact CG2-CD2 3.78Å; I149-F172 HydrophobicContact CG2-CE1 4.2Å; I149-F172 HydrophobicContact CG2-CE2 3.9Å; I149-F172 HydrophobicContact CG2-CG 3.92Å; I149-F172 HydrophobicContact CG2-CZ 4.1Å; I149-L176 HydrophobicContact CD1-CD1 3.87Å
150C97.9Very high94.4Very high0 Ų047.7 Ų47.70%031%0.307CS..Hα-helixtrans-58.7-48.1173.9-68.60000111.6L146 K147 L148 L152 L153 T154 A162 L164 P207L146-C150 PolarHBondContact O-N 3.18Å; L146-C150 PolarHBondContact O-SG 3.47Å; K147-C150 VanDerWaalsContact O-CB 3.3Å; K147-C150 WeakPolarHBondContact O-CB 3.07Å; K147-C150 PolarHBondContact O-N 3.03Å; L148-C150 VanDerWaalsContact C-N 3.28Å; L148-C150 PolarHBondContact O-N 2.8Å; C150-L152 VanDerWaalsContact C-N 3.29Å; C150-L152 PolarHBondContact O-N 3.1Å; C150-L153 PolarHBondContact O-N 3.21Å; C150-T154 WeakPolarHBondContact O-CB 3.48Å; C150-T154 WeakPolarHBondContact O-CG2 3.47Å; C150-T154 PolarHBondContact O-N 2.76Å; C150-A162 HydrophobicContact CB-CB 4.14Å; C150-A162 WeakPolarHBondContact CB-O 3.36Å; C150-L164 HydrophobicContact CB-CD1 4.4Å; C150-L164 HydrophobicContact CB-CG 4.48Å; C150-P207 HydrophobicContact CB-CG 4Å
151E96.1Very high94.6Very high88 Ų8844.6 Ų44.641%0.41128%0.282SS..Hα-helixtrans-63.7-34.2178.3-67.1171.8177.400112.5K147 L148 A162K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 IonicContact NZ-OE1 3.19Å; K147-E151 WeakPolarHBondContact O-CG 3.49Å; K147-E151 PolarHBondContact O-N 3.37Å; L148-E151 PolarHBondContact O-N 3.34Å; L148-E151 VanDerWaalsContact O-N 3.12Å; E151-A162 HydrophobicContact CG-CB 4.04Å
152L96.3Very high94.7Very high5 Ų542.9 Ų42.93%0.02627%0.272CS..Hα-helixtrans-73.5-32.1178.6-69.6169.4000113.2L80 K81 L131 A135 L148 I149 C150L80-L152 HydrophobicContact CB-CD2 4.45Å; L80-L152 HydrophobicContact CD2-CD1 3.73Å; L80-L152 HydrophobicContact CG-CD1 3.98Å; K81-L152 HydrophobicContact CB-CD2 3.74Å; K81-L152 HydrophobicContact CD-CD2 3.99Å; K81-L152 HydrophobicContact CG-CD2 4.47Å; K81-L152 PolarHBondContact NZ-O 3.31Å; L131-L152 HydrophobicContact CD1-CD1 4.15Å; A135-L152 HydrophobicContact CB-CD1 4.48Å; L148-L152 HydrophobicContact CD1-CD1 4Å; L148-L152 HydrophobicContact CD1-CD2 4.42Å; L148-L152 HydrophobicContact CD1-CG 3.95Å; L148-L152 HydrophobicContact CG-CD1 3.82Å; L148-L152 HydrophobicContact CG-CG 4.26Å; L148-L152 WeakPolarHBondContact O-CB 3.29Å; L148-L152 VanDerWaalsContact O-CG 3.22Å; L148-L152 WeakPolarHBondContact O-CG 3.36Å; L148-L152 PolarHBondContact O-N 3.48Å; I149-L152 PolarHBondContact O-N 3.44Å; C150-L152 VanDerWaalsContact C-N 3.29Å; C150-L152 PolarHBondContact O-N 3.1Å
153L96.9Very high94.7Very high44 Ų4447.4 Ų47.423%0.2329%0.289CS..Hα-helixtrans-111-12.5-170.2-63.5-178.2000114.7L131 I149 C150 L164 F172L131-L153 HydrophobicContact CD2-CD1 4.16Å; L131-L153 HydrophobicContact CD2-CD2 3.69Å; L131-L153 HydrophobicContact CD2-CG 4.06Å; I149-L153 HydrophobicContact CG2-CD1 3.77Å; I149-L153 HydrophobicContact CG2-CG 4.43Å; I149-L153 WeakPolarHBondContact O-CB 3.23Å; I149-L153 WeakPolarHBondContact O-CG 3.37Å; I149-L153 PolarHBondContact O-N 3.1Å; C150-L153 PolarHBondContact O-N 3.21Å; L153-L164 HydrophobicContact CB-CD1 4.27Å; L153-L164 HydrophobicContact CB-CD2 3.71Å; L153-F172 HydrophobicContact CD1-CD2 4.48Å; L153-F172 HydrophobicContact CD1-CE2 3.42Å; L153-F172 VanDerWaalsContact CD1-CE2 3.42Å; L153-F172 HydrophobicContact CD1-CZ 3.46Å; L153-F172 VanDerWaalsContact CD1-CZ 3.46Å
154T96.2Very high94.7Very high26 Ų2647.4 Ų47.416%0.1629%0.288CS..  trans-61.9145.6-177.1-166.30000112.5C150 D156 A162 R163C150-T154 WeakPolarHBondContact O-CB 3.48Å; C150-T154 WeakPolarHBondContact O-CG2 3.47Å; C150-T154 PolarHBondContact O-N 2.76Å; T154-D156 HydrophobicContact CG2-CB 4.3Å; T154-D156 WeakPolarHBondContact OG1-CB 3.5Å; T154-D156 PolarHBondContact OG1-N 2.88Å; T154-A162 HydrophobicContact CG2-CB 4.15Å; T154-A162 WeakPolarHBondContact OG1-CA 3.5Å; T154-R163 WeakPolarHBondContact CB-O 3.3Å; T154-R163 PolarHBondContact OG1-N 2.77Å; T154-R163 VanDerWaalsContact OG1-N 3.14Å; T154-R163 PolarHBondContact OG1-O 3.43Å
155A93.6Very high94.7Very high106 Ų10647 Ų4788%0.87629%0.294SS*.  trans-94.1-1.416700000112.5
156D94.3Very high94.7Very high38 Ų3848 Ų4820%0.20330%0.298CS..SBendtrans-59.2149.3173.3-79.3-17.3000109.9T154 A161 A162 R163T154-D156 HydrophobicContact CG2-CB 4.3Å; T154-D156 WeakPolarHBondContact OG1-CB 3.5Å; T154-D156 PolarHBondContact OG1-N 2.88Å; D156-A161 PolarHBondContact OD2-N 2.98Å; D156-A162 PolarHBondContact OD2-N 3.1Å; D156-A162 VanDerWaalsContact OD2-N 3.1Å; D156-R163 IonicContact OD1-NH1 2.79Å; D156-R163 PolarHBondContact OD1-NH1 3.15Å; D156-R163 WeakPolarHBondContact OD2-CG 3.48Å; D156-R163 IonicContact OD2-CZ 3.16Å; D156-R163 PolarHBondContact OD2-N 2.8Å; D156-R163 IonicContact OD2-NH1 3.69Å; D156-R163 PolarHBondContact OD2-NH1 2.99Å; D156-R163 VanDerWaalsContact OD2-NH1 3.16Å
157P90.6Very high94.6Very high103 Ų10354.2 Ų54.267%0.66933%0.327SS*.PPolyproline II helixtrans-59154.8171.827.3-35000110.5G159 G160P157-G159 PolarHBondContact O-N 2.94Å; P157-G160 WeakPolarHBondContact O-CA 3.15Å; P157-G160 PolarHBondContact O-N 2.89Å
158E83.1Confident94.6Very high132 Ų13253.6 Ų53.662%0.61733%0.325SS*.THydrogen-bonded Turntrans-55134.2179.4-166.5-179.8172.800111.6R61 G160R61-E158 WeakPolarHBondContact CD-OE1 3.35Å; R61-E158 IonicContact CZ-OE1 3.88Å; R61-E158 IonicContact NE-OE1 2.98Å; R61-E158 IonicContact NH1-OE1 2.66Å; R61-E158 PolarHBondContact NH1-OE1 2.82Å; E158-G160 PolarHBondContact O-N 3.37Å
159G84.6Confident94.7Very high85 Ų8553.2 Ų53.288%0.87632%0.323SS*.THydrogen-bonded Turntrans77.82.6-172.900000114.4P157P157-G159 PolarHBondContact O-N 2.94Å
160G91.3Very high94.6Very high41 Ų4153.9 Ų53.942%0.42333%0.326SS..SBendtrans-70.3-168.5173.600000113.7P157 E158 A162P157-G160 WeakPolarHBondContact O-CA 3.15Å; P157-G160 PolarHBondContact O-N 2.89Å; E158-G160 PolarHBondContact O-N 3.37Å; G160-A162 PolarHBondContact O-N 2.66Å
161A94.6Very high94.6Very high31 Ų3157.8 Ų57.826%0.25635%0.345SS..  trans-78.6-2.8-174.600000113.8D156 R163 A206 P207D156-A161 PolarHBondContact OD2-N 2.98Å; A161-R163 HydrophobicContact CB-CG 4.05Å; A161-R163 PolarHBondContact O-N 3.46Å; A161-A206 HydrophobicContact CB-CB 4.46Å; A161-A206 WeakPolarHBondContact O-CB 3.17Å; A161-P207 VanDerWaalsContact O-CD 3.31Å; A161-P207 WeakPolarHBondContact O-CD 3.5Å
162A96.3Very high94.7Very high9 Ų953.7 Ų53.77%0.07433%0.326CS..  trans52.552-175.500000112.5C150 E151 T154 D156 G160 P207C150-A162 HydrophobicContact CB-CB 4.14Å; C150-A162 WeakPolarHBondContact CB-O 3.36Å; E151-A162 HydrophobicContact CG-CB 4.04Å; T154-A162 HydrophobicContact CG2-CB 4.15Å; T154-A162 WeakPolarHBondContact OG1-CA 3.5Å; D156-A162 PolarHBondContact OD2-N 3.1Å; D156-A162 VanDerWaalsContact OD2-N 3.1Å; G160-A162 PolarHBondContact O-N 2.66Å; A162-P207 HydrophobicContact CB-CG 4.29Å; A162-P207 WeakPolarHBondContact O-CD 3.5Å
163R96.4Very high94.8Very high102 Ų10253.5 Ų53.539%0.38532%0.324SS..  trans-74.7144.7-179.8-65.8171.8-165.5105-5.4112.1T154 D156 A161 A204 I205 A206T154-R163 WeakPolarHBondContact CB-O 3.3Å; T154-R163 PolarHBondContact OG1-N 2.77Å; T154-R163 VanDerWaalsContact OG1-N 3.14Å; T154-R163 PolarHBondContact OG1-O 3.43Å; D156-R163 IonicContact OD1-NH1 2.79Å; D156-R163 PolarHBondContact OD1-NH1 3.15Å; D156-R163 WeakPolarHBondContact OD2-CG 3.48Å; D156-R163 IonicContact OD2-CZ 3.16Å; D156-R163 PolarHBondContact OD2-N 2.8Å; D156-R163 IonicContact OD2-NH1 3.69Å; D156-R163 PolarHBondContact OD2-NH1 2.99Å; D156-R163 VanDerWaalsContact OD2-NH1 3.16Å; A161-R163 HydrophobicContact CB-CG 4.05Å; A161-R163 PolarHBondContact O-N 3.46Å; R163-A204 HydrophobicContact CB-CB 4.43Å; R163-I205 CarbonylContact C-O 3.59Å; R163-I205 VanDerWaalsContact CA-O 3.3Å; R163-I205 WeakPolarHBondContact CA-O 3.4Å; R163-A206 HydrophobicContact CG-CB 4.03Å
164L97.1Very high94.9Very high4 Ų457.5 Ų57.52%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-127.8154165.5-67.5-177000110.8I149 C150 L153 F166 A204 I205I149-L164 HydrophobicContact CG2-CD1 4.42Å; C150-L164 HydrophobicContact CB-CD1 4.4Å; C150-L164 HydrophobicContact CB-CG 4.48Å; L153-L164 HydrophobicContact CB-CD1 4.27Å; L153-L164 HydrophobicContact CB-CD2 3.71Å; L164-F166 PolarHBondContact O-N 3.18Å; L164-A204 CarbonylContact O-C 3.48Å; L164-A204 WeakPolarHBondContact O-CA 3.36Å; L164-I205 PolarHBondContact N-O 3.16Å; L164-I205 PolarHBondContact O-N 2.94Å
165P96.7Very high95Very high78 Ų7858.4 Ų58.451%0.50634%0.337SS..EExtended strand (participates in β ladder)trans-54.7135.6163-21.633.2000110.5E167 Q168 W169P165-E167 VanDerWaalsContact C-N 3.33Å; P165-E167 PolarHBondContact O-N 3.07Å; P165-Q168 HydrophobicContact CB-CB 4.31Å; P165-Q168 WeakPolarHBondContact O-CB 3.32Å; P165-Q168 PolarHBondContact O-N 3.04Å; P165-Q168 VanDerWaalsContact O-N 3.15Å; P165-W169 PolarHBondContact O-N 3.14Å; P165-W169 VanDerWaalsContact O-N 3.1Å
166F96.6Very high95.2Very high25 Ų2553.7 Ų53.711%0.1130%0.297CS..Hα-helixtrans-59.4-41.7-175.1178.5-125.1000113.2L164 Q168 W169 L170 L191 L194 I198 G203 I205L164-F166 PolarHBondContact O-N 3.18Å; F166-Q168 VanDerWaalsContact C-N 3.29Å; F166-Q168 PolarHBondContact O-N 3.34Å; F166-W169 AromaticContact CD2-CE3 3.98Å; F166-W169 HydrophobicContact CD2-CE3 3.98Å; F166-W169 AromaticContact CE2-CE3 3.79Å; F166-W169 HydrophobicContact CE2-CE3 3.79Å; F166-W169 AromaticContact CE2-CZ3 3.9Å; F166-W169 HydrophobicContact CE2-CZ3 3.9Å; F166-W169 PolarHBondContact O-N 3.49Å; F166-L170 VanDerWaalsContact O-CB 3.31Å; F166-L170 WeakPolarHBondContact O-CB 3.26Å; F166-L170 PolarHBondContact O-N 3.18Å; F166-L191 HydrophobicContact CE2-CD2 4.42Å; F166-L191 HydrophobicContact CZ-CD2 4.01Å; F166-L194 HydrophobicContact CE2-CB 4.33Å; F166-I198 HydrophobicContact CB-CD1 4.03Å; F166-I198 HydrophobicContact CB-CG2 3.96Å; F166-I198 HydrophobicContact CD1-CD1 4.12Å; F166-I198 HydrophobicContact CD1-CG2 4.5Å; F166-I198 HydrophobicContact CD2-CD1 3.01Å; F166-I198 HydrophobicContact CD2-CG1 4.42Å; F166-I198 HydrophobicContact CE1-CD1 4.3Å; F166-I198 HydrophobicContact CE2-CD1 3.22Å; F166-I198 HydrophobicContact CG-CD1 3.46Å; F166-I198 VanDerWaalsContact CG-CD1 3.46Å; F166-I198 HydrophobicContact CG-CG2 4.19Å; F166-I198 HydrophobicContact CZ-CD1 3.87Å; F166-G203 WeakPolarHBondContact CB-O 3.42Å; F166-G203 PolarHBondContact N-O 3.07Å; F166-I205 HydrophobicContact CD2-CB 4.28Å; F166-I205 HydrophobicContact CD2-CD1 4.13Å; F166-I205 HydrophobicContact CD2-CG2 4.36Å; F166-I205 HydrophobicContact CE2-CD1 4.24Å
167E95.6Very high95.3Very high130 Ų13051.9 Ų51.961%0.60729%0.287SS*.Hα-helixtrans-60-40.3178.1-64.9-55.7137.500112.2P165 L170 E171P165-E167 VanDerWaalsContact C-N 3.33Å; P165-E167 PolarHBondContact O-N 3.07Å; E167-L170 WeakPolarHBondContact O-CB 3.31Å; E167-L170 PolarHBondContact O-N 3.4Å; E167-E171 WeakPolarHBondContact O-CG 3.38Å; E167-E171 PolarHBondContact O-N 3.38Å; E167-E171 VanDerWaalsContact O-N 3.1Å
168Q97.3Very high95.6Very high70 Ų7054.8 Ų54.833%0.32729%0.29SS..Hα-helixtrans-65.7-44.2176.5-175.4178.829.800111.1P165 F166 L170 E171 F172P165-Q168 HydrophobicContact CB-CB 4.31Å; P165-Q168 WeakPolarHBondContact O-CB 3.32Å; P165-Q168 PolarHBondContact O-N 3.04Å; P165-Q168 VanDerWaalsContact O-N 3.15Å; F166-Q168 VanDerWaalsContact C-N 3.29Å; F166-Q168 PolarHBondContact O-N 3.34Å; Q168-L170 VanDerWaalsContact C-N 3.31Å; Q168-L170 PolarHBondContact O-N 2.89Å; Q168-E171 WeakPolarHBondContact O-CB 3.45Å; Q168-E171 PolarHBondContact O-N 3.01Å; Q168-F172 HydrophobicContact CG-CD2 4.46Å; Q168-F172 HydrophobicContact CG-CE2 4.06Å; Q168-F172 WeakPolarHBondContact O-CD2 3.36Å; Q168-F172 PolarHBondContact O-N 2.92Å
169W98.1Very high96.2Very high0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-63.4-38.7175.9177.293.7000112.1L146 P165 F166 E171 F172 Y173 L191 L194 I205 F210 L218L146-W169 HydrophobicContact CD1-CZ2 3.87Å; P165-W169 PolarHBondContact O-N 3.14Å; P165-W169 VanDerWaalsContact O-N 3.1Å; F166-W169 AromaticContact CD2-CE3 3.98Å; F166-W169 HydrophobicContact CD2-CE3 3.98Å; F166-W169 AromaticContact CE2-CE3 3.79Å; F166-W169 HydrophobicContact CE2-CE3 3.79Å; F166-W169 AromaticContact CE2-CZ3 3.9Å; F166-W169 HydrophobicContact CE2-CZ3 3.9Å; F166-W169 PolarHBondContact O-N 3.49Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3Å; W169-F172 WeakPolarHBondContact O-CB 3.36Å; W169-F172 PolarHBondContact O-N 3.14Å; W169-Y173 AromaticContact CH2-CD1 3.77Å; W169-Y173 HydrophobicContact CH2-CD1 3.77Å; W169-Y173 HydrophobicContact CH2-CE1 4.47Å; W169-Y173 AromaticContact CH2-CG 3.89Å; W169-Y173 HydrophobicContact CH2-CG 3.89Å; W169-Y173 HydrophobicContact CZ2-CG 4.43Å; W169-Y173 AromaticContact CZ3-CD1 3.9Å; W169-Y173 HydrophobicContact CZ3-CD1 3.9Å; W169-Y173 HydrophobicContact CZ3-CG 4.2Å; W169-Y173 PolarHBondContact O-N 3.03Å; W169-L191 HydrophobicContact CZ3-CD2 4.03Å; W169-L194 HydrophobicContact CH2-CD1 3.33Å; W169-L194 HydrophobicContact CZ2-CD1 4.14Å; W169-L194 HydrophobicContact CZ3-CD1 3.7Å; W169-I205 HydrophobicContact CB-CG2 3.43Å; W169-I205 VanDerWaalsContact CB-CG2 3.43Å; W169-I205 HydrophobicContact CD2-CD1 3.64Å; W169-I205 HydrophobicContact CD2-CG2 4.08Å; W169-I205 HydrophobicContact CE3-CD1 3.77Å; W169-I205 HydrophobicContact CG-CD1 4.18Å; W169-I205 HydrophobicContact CG-CG2 3.51Å; W169-I205 HydrophobicContact CH2-CD1 4.18Å; W169-I205 HydrophobicContact CZ2-CD1 4.02Å; W169-I205 HydrophobicContact CZ3-CD1 4.05Å; W169-F210 AromaticContact CD1-CE1 4Å; W169-F210 AromaticContact CE2-CD1 3.89Å; W169-F210 AromaticContact CE2-CE1 3.99Å; W169-F210 HydrophobicContact CZ2-CB 4.21Å; W169-F210 AromaticContact CZ2-CD1 3.87Å; W169-F210 HydrophobicContact CZ2-CD1 3.87Å; W169-F210 HydrophobicContact CZ2-CE1 4.38Å; W169-F210 HydrophobicContact CZ2-CG 4.05Å; W169-F210 AromaticContact NE1-CD1 3.64Å; W169-F210 AromaticContact NE1-CE1 3.26Å; W169-F210 VanDerWaalsContact NE1-CE1 3.26Å; W169-F210 AromaticContact NE1-CZ 3.75Å; W169-L218 HydrophobicContact CH2-CD2 4.38Å; W169-L218 HydrophobicContact CZ2-CD1 4.17Å; W169-L218 HydrophobicContact CZ2-CD2 4.5Å
170L97.2Very high96.7Very high14 Ų1451 Ų517%0.07325%0.253CS..Hα-helixtrans-61.5-41.1179.2172.260.3000111.8F166 E167 Q168 F172 Y173 R174 L191F166-L170 VanDerWaalsContact O-CB 3.31Å; F166-L170 WeakPolarHBondContact O-CB 3.26Å; F166-L170 PolarHBondContact O-N 3.18Å; E167-L170 WeakPolarHBondContact O-CB 3.31Å; E167-L170 PolarHBondContact O-N 3.4Å; Q168-L170 VanDerWaalsContact C-N 3.31Å; Q168-L170 PolarHBondContact O-N 2.89Å; L170-F172 VanDerWaalsContact C-N 3.34Å; L170-F172 PolarHBondContact O-N 2.82Å; L170-Y173 PolarHBondContact O-N 2.98Å; L170-R174 HydrophobicContact CD1-CG 3.97Å; L170-R174 WeakPolarHBondContact O-CB 3.48Å; L170-R174 WeakPolarHBondContact O-CG 3.29Å; L170-R174 PolarHBondContact O-N 3.28Å; L170-L191 HydrophobicContact CD1-CD1 3.4Å; L170-L191 HydrophobicContact CD1-CD2 3.45Å; L170-L191 VanDerWaalsContact CD1-CD2 3.45Å; L170-L191 HydrophobicContact CD1-CG 4.04Å
171E98Very high96.9Very high82 Ų8256 Ų5638%0.38327%0.27SS..Hα-helixtrans-56.9-46.5173.8-75.7-177.6148.600111.9R128 W129 E167 Q168 W169 Y175R128-E171 IonicContact CZ-OE2 2.77Å; R128-E171 IonicContact NH1-OE1 3.79Å; R128-E171 PolarHBondContact NH1-OE1 2.82Å; R128-E171 IonicContact NH1-OE2 2.8Å; R128-E171 PolarHBondContact NH1-OE2 3.12Å; W129-E171 HydrophobicContact CH2-CB 4.06Å; E167-E171 WeakPolarHBondContact O-CG 3.38Å; E167-E171 PolarHBondContact O-N 3.38Å; E167-E171 VanDerWaalsContact O-N 3.1Å; Q168-E171 WeakPolarHBondContact O-CB 3.45Å; Q168-E171 PolarHBondContact O-N 3.01Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3Å; E171-Y175 WeakPolarHBondContact O-CB 3.47Å; E171-Y175 PolarHBondContact O-N 3.11Å
172F98.5Very high97Very high3 Ų355 Ų551%0.01326%0.26CS..Hα-helixtrans-64.6-45.6176.2-75-71.8000112.4R128 W129 A132 L146 I149 L153 Q168 W169 L170 R174 Y175 L176R128-F172 HydrophobicContact CB-CE1 3.97Å; R128-F172 HydrophobicContact CB-CZ 3.82Å; R128-F172 WeakPolarHBondContact O-CE1 3.38Å; W129-F172 HydrophobicContact CZ3-CD1 4.41Å; A132-F172 HydrophobicContact CB-CD1 3.8Å; A132-F172 HydrophobicContact CB-CE1 4.06Å; L146-F172 HydrophobicContact CD2-CB 3.77Å; I149-F172 HydrophobicContact CD1-CB 4.32Å; I149-F172 HydrophobicContact CD1-CD1 3.92Å; I149-F172 HydrophobicContact CD1-CG 4.24Å; I149-F172 HydrophobicContact CG2-CD1 4.13Å; I149-F172 HydrophobicContact CG2-CD2 3.78Å; I149-F172 HydrophobicContact CG2-CE1 4.2Å; I149-F172 HydrophobicContact CG2-CE2 3.9Å; I149-F172 HydrophobicContact CG2-CG 3.92Å; I149-F172 HydrophobicContact CG2-CZ 4.1Å; L153-F172 HydrophobicContact CD1-CD2 4.48Å; L153-F172 HydrophobicContact CD1-CE2 3.42Å; L153-F172 VanDerWaalsContact CD1-CE2 3.42Å; L153-F172 HydrophobicContact CD1-CZ 3.46Å; L153-F172 VanDerWaalsContact CD1-CZ 3.46Å; Q168-F172 HydrophobicContact CG-CD2 4.46Å; Q168-F172 HydrophobicContact CG-CE2 4.06Å; Q168-F172 WeakPolarHBondContact O-CD2 3.36Å; Q168-F172 PolarHBondContact O-N 2.92Å; W169-F172 WeakPolarHBondContact O-CB 3.36Å; W169-F172 PolarHBondContact O-N 3.14Å; L170-F172 VanDerWaalsContact C-N 3.34Å; L170-F172 PolarHBondContact O-N 2.82Å; F172-R174 PolarHBondContact O-N 3.34Å; F172-Y175 PolarHBondContact O-N 3.47Å; F172-L176 WeakPolarHBondContact O-CG 3.45Å; F172-L176 PolarHBondContact O-N 3.29Å
173Y98.4Very high97Very high0 Ų058.2 Ų58.20%028%0.28CS..Hα-helixtrans-60.4-48.3179.8175.4-137.2000111L142 L146 W169 L170 Y175 L176 A177 I187 V190 L191 L218L142-Y173 HydrophobicContact CD2-CD2 3.97Å; L142-Y173 HydrophobicContact CD2-CE2 3.7Å; L146-Y173 HydrophobicContact CD1-CD2 3.79Å; L146-Y173 HydrophobicContact CD1-CG 4.19Å; W169-Y173 AromaticContact CH2-CD1 3.77Å; W169-Y173 HydrophobicContact CH2-CD1 3.77Å; W169-Y173 HydrophobicContact CH2-CE1 4.47Å; W169-Y173 AromaticContact CH2-CG 3.89Å; W169-Y173 HydrophobicContact CH2-CG 3.89Å; W169-Y173 HydrophobicContact CZ2-CG 4.43Å; W169-Y173 AromaticContact CZ3-CD1 3.9Å; W169-Y173 HydrophobicContact CZ3-CD1 3.9Å; W169-Y173 HydrophobicContact CZ3-CG 4.2Å; W169-Y173 PolarHBondContact O-N 3.03Å; L170-Y173 PolarHBondContact O-N 2.98Å; Y173-Y175 PolarHBondContact O-N 2.94Å; Y173-L176 PolarHBondContact O-N 3.38Å; Y173-A177 HydrophobicContact CD2-CB 4.26Å; Y173-A177 HydrophobicContact CE2-CB 4.08Å; Y173-A177 WeakPolarHBondContact O-CB 3.39Å; Y173-A177 PolarHBondContact O-N 3.43Å; Y173-I187 HydrophobicContact CD1-CG2 4.38Å; Y173-I187 HydrophobicContact CE1-CB 4.43Å; Y173-I187 HydrophobicContact CE1-CG2 3.86Å; Y173-V190 HydrophobicContact CE1-CB 4.2Å; Y173-V190 HydrophobicContact CE1-CG1 3.86Å; Y173-L191 HydrophobicContact CD1-CD2 4.05Å; Y173-L191 HydrophobicContact CE1-CD2 4.25Å; Y173-L218 HydrophobicContact CE2-CB 3.9Å; Y173-L218 HydrophobicContact CE2-CD2 4.43Å; Y173-L218 PolarHBondContact OH-O 3.22Å
174R98Very high96.9Very high129 Ų12959.2 Ų59.249%0.48729%0.293SS..Hα-helixtrans-62.1-41.7177.8-76.6-179.8170.41730.6112.8L170 F172 K178 I187L170-R174 HydrophobicContact CD1-CG 3.97Å; L170-R174 WeakPolarHBondContact O-CB 3.48Å; L170-R174 WeakPolarHBondContact O-CG 3.29Å; L170-R174 PolarHBondContact O-N 3.28Å; F172-R174 PolarHBondContact O-N 3.34Å; R174-K178 WeakPolarHBondContact O-CB 3.4Å; R174-K178 PolarHBondContact O-N 3.44Å; R174-I187 HydrophobicContact CG-CG2 4.35Å
175Y98.2Very high96.9Very high45 Ų4567 Ų6718%0.17633%0.329CS..Hα-helixtrans-61.5-52179175.4-105.8000111.5W129 A132 L133 E171 F172 Y173 K178 I179W129-Y175 HydrophobicContact CB-CE1 3.95Å; W129-Y175 HydrophobicContact CB-CE2 4.15Å; W129-Y175 HydrophobicContact CD2-CD1 4.35Å; W129-Y175 HydrophobicContact CD2-CD2 4.04Å; W129-Y175 HydrophobicContact CD2-CE2 4.23Å; W129-Y175 HydrophobicContact CD2-CG 4.11Å; W129-Y175 AromaticContact CE3-CD1 3.64Å; W129-Y175 HydrophobicContact CE3-CD1 3.64Å; W129-Y175 AromaticContact CE3-CD2 3.92Å; W129-Y175 HydrophobicContact CE3-CD2 3.92Å; W129-Y175 HydrophobicContact CE3-CE1 4.13Å; W129-Y175 HydrophobicContact CE3-CE2 4.41Å; W129-Y175 AromaticContact CE3-CG 3.51Å; W129-Y175 HydrophobicContact CE3-CG 3.51Å; W129-Y175 HydrophobicContact CG-CD2 4.41Å; W129-Y175 HydrophobicContact CG-CE1 4.47Å; W129-Y175 HydrophobicContact CG-CE2 4.11Å; W129-Y175 HydrophobicContact CZ3-CD1 4.23Å; W129-Y175 HydrophobicContact CZ3-CD2 4.37Å; W129-Y175 AromaticContact CZ3-CG 3.82Å; W129-Y175 HydrophobicContact CZ3-CG 3.82Å; A132-Y175 HydrophobicContact CB-CD1 3.98Å; A132-Y175 HydrophobicContact CB-CE1 4.07Å; L133-Y175 WeakPolarHBondContact CD1-OH 3.49Å; L133-Y175 HydrophobicContact CG-CE1 4.14Å; E171-Y175 WeakPolarHBondContact O-CB 3.47Å; E171-Y175 PolarHBondContact O-N 3.11Å; F172-Y175 PolarHBondContact O-N 3.47Å; Y173-Y175 PolarHBondContact O-N 2.94Å; Y175-K178 PolarHBondContact O-N 2.85Å; Y175-I179 HydrophobicContact CD1-CD1 4.08Å; Y175-I179 HydrophobicContact CE1-CD1 3.56Å; Y175-I179 HydrophobicContact CE2-CD1 4.1Å; Y175-I179 WeakPolarHBondContact O-CG1 3.39Å; Y175-I179 PolarHBondContact O-N 3.32Å
176L98.1Very high96.9Very high6 Ų664.8 Ų64.83%0.03131%0.313CS..Hα-helixtrans-67.2-39.6179-69.5169.1000111.9A132 L142 T145 L146 I149 F172 Y173 K178 I179 D180A132-L176 HydrophobicContact CB-CD1 4.49Å; A132-L176 HydrophobicContact CB-CD2 4.09Å; A132-L176 HydrophobicContact CB-CG 4.3Å; L142-L176 HydrophobicContact CD1-CB 3.52Å; L142-L176 HydrophobicContact CD1-CD1 3.75Å; L142-L176 HydrophobicContact CD1-CG 4.26Å; T145-L176 HydrophobicContact CG2-CD1 3.61Å; L146-L176 HydrophobicContact CD2-CD1 4.25Å; L146-L176 HydrophobicContact CG-CD1 4.38Å; I149-L176 HydrophobicContact CD1-CD1 3.87Å; F172-L176 WeakPolarHBondContact O-CG 3.45Å; F172-L176 PolarHBondContact O-N 3.29Å; Y173-L176 PolarHBondContact O-N 3.38Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 3.49Å; L176-I179 WeakPolarHBondContact O-CB 3.29Å; L176-I179 PolarHBondContact O-N 3.18Å; L176-D180 PolarHBondContact O-N 3.39Å
177A97.4Very high96.9Very high0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-61.6-35.7177.700000112.6Y173 I179 D180 D181 I182 I187Y173-A177 HydrophobicContact CD2-CB 4.26Å; Y173-A177 HydrophobicContact CE2-CB 4.08Å; Y173-A177 WeakPolarHBondContact O-CB 3.39Å; Y173-A177 PolarHBondContact O-N 3.43Å; A177-I179 VanDerWaalsContact C-N 3.33Å; A177-D180 CarbonylContact O-C 3.55Å; A177-D180 PolarHBondContact O-N 3Å; A177-D181 PolarHBondContact O-N 2.99Å; A177-I182 HydrophobicContact CB-CB 4.04Å; A177-I182 HydrophobicContact CB-CD1 3.79Å; A177-I182 HydrophobicContact CB-CG1 4.3Å; A177-I182 WeakPolarHBondContact O-CB 3.49Å; A177-I182 PolarHBondContact O-N 3.28Å; A177-I187 HydrophobicContact CB-CD1 3.64Å; A177-I187 HydrophobicContact CB-CG1 4.07Å
178K96.4Very high97Very high165 Ų16562 Ų6272%0.71730%0.303SS*.Hα-helixtrans-66.8-34.5173.2-176.9179.1178.6-178.30112.4R174 Y175 L176 D180 D181R174-K178 WeakPolarHBondContact O-CB 3.4Å; R174-K178 PolarHBondContact O-N 3.44Å; Y175-K178 PolarHBondContact O-N 2.85Å; L176-K178 VanDerWaalsContact C-N 3.27Å; L176-K178 PolarHBondContact O-N 3.49Å; K178-D180 VanDerWaalsContact C-N 3.34Å; K178-D181 PolarHBondContact O-N 3.31Å
179I95.5Very high96.9Very high59 Ų5965.2 Ų65.230%0.30332%0.316SS..Hα-helixtrans-70.8-35.8177.6-65172.1000110.6I118 L133 Y175 L176 A177 D181I118-I179 HydrophobicContact CG2-CG2 4.08Å; L133-I179 HydrophobicContact CD1-CD1 4.49Å; L133-I179 HydrophobicContact CD2-CD1 3.57Å; L133-I179 HydrophobicContact CG-CD1 4.25Å; Y175-I179 HydrophobicContact CD1-CD1 4.08Å; Y175-I179 HydrophobicContact CE1-CD1 3.56Å; Y175-I179 HydrophobicContact CE2-CD1 4.1Å; Y175-I179 WeakPolarHBondContact O-CG1 3.39Å; Y175-I179 PolarHBondContact O-N 3.32Å; L176-I179 WeakPolarHBondContact O-CB 3.29Å; L176-I179 PolarHBondContact O-N 3.18Å; A177-I179 VanDerWaalsContact C-N 3.33Å; I179-D181 PolarHBondContact O-N 3.38Å
180D94.8Very high96.8Very high78 Ų7865.2 Ų65.242%0.41732%0.316SS..THydrogen-bonded Turntrans-81.47.4174.5-75.6-1.1000113.6L176 A177 K178 I182 N219L176-D180 PolarHBondContact O-N 3.39Å; A177-D180 CarbonylContact O-C 3.55Å; A177-D180 PolarHBondContact O-N 3Å; K178-D180 VanDerWaalsContact C-N 3.34Å; D180-I182 HydrophobicContact CB-CD1 4Å; D180-I182 HydrophobicContact CB-CG1 3.79Å; D180-I182 PolarHBondContact O-N 3.22Å; D180-I182 VanDerWaalsContact O-N 3.16Å; D180-N219 PolarHBondContact OD2-ND2 3.34Å; D180-N219 VanDerWaalsContact OD2-ND2 3.13Å
181D95.5Very high96.7Very high145 Ų14565.5 Ų65.578%0.77532%0.317SS*.THydrogen-bonded Turntrans51.435.3-177-70.3-50.9000114.2A177 K178 I179A177-D181 PolarHBondContact O-N 2.99Å; K178-D181 PolarHBondContact O-N 3.31Å; I179-D181 PolarHBondContact O-N 3.38Å
182I96.9Very high96.5Very high11 Ų1164.6 Ų64.66%0.05632%0.324CS..  trans-73.7127.9178.7-57.3175.7000109.5L142 A177 D180 H186 I187 N219L142-I182 HydrophobicContact CD2-CD1 3.55Å; A177-I182 HydrophobicContact CB-CB 4.04Å; A177-I182 HydrophobicContact CB-CD1 3.79Å; A177-I182 HydrophobicContact CB-CG1 4.3Å; A177-I182 WeakPolarHBondContact O-CB 3.49Å; A177-I182 PolarHBondContact O-N 3.28Å; D180-I182 HydrophobicContact CB-CD1 4Å; D180-I182 HydrophobicContact CB-CG1 3.79Å; D180-I182 PolarHBondContact O-N 3.22Å; D180-I182 VanDerWaalsContact O-N 3.16Å; I182-H186 HydrophobicContact CG2-CB 4.15Å; I182-I187 HydrophobicContact CG2-CG1 3.98Å; I182-N219 HydrophobicContact CD1-CB 3.58Å; I182-N219 HydrophobicContact CG1-CB 4.4Å
183P95.9Very high96.3Very high76 Ų7667.4 Ų67.449%0.49434%0.337SS..  trans-61.6140.4179.3-24.634.1000113.6E185 H186 I187P183-E185 PolarHBondContact O-N 3.47Å; P183-E185 VanDerWaalsContact O-N 3.15Å; P183-H186 WeakPolarHBondContact O-CB 3.47Å; P183-H186 PolarHBondContact O-N 2.9Å; P183-I187 PolarHBondContact O-N 2.98Å; P183-I187 VanDerWaalsContact O-N 3.14Å
184D95.7Very high96.2Very high124 Ų12467.4 Ų67.466%0.66334%0.337SS*.Hα-helixtrans-55.8-33.4177.6-75.7-43.6000113H186 I187 N188D184-H186 VanDerWaalsContact C-N 3.31Å; D184-H186 PolarHBondContact O-N 3.49Å; D184-I187 PolarHBondContact O-N 3.39Å; D184-N188 WeakPolarHBondContact O-CB 3.48Å; D184-N188 PolarHBondContact O-N 2.94Å; D184-N188 PolarHBondContact O-ND2 2.95Å
185E96.2Very high95.8Very high166 Ų16664 Ų6478%0.77633%0.333SS*.Hα-helixtrans-59.4-42.9175.3-174.3-178.9178.900111.7P183 N188 K189P183-E185 PolarHBondContact O-N 3.47Å; P183-E185 VanDerWaalsContact O-N 3.15Å; E185-N188 PolarHBondContact O-N 3.45Å; E185-K189 PolarHBondContact O-N 3.04Å
186H97Very high95.3Very high33 Ų3369.4 Ų69.415%0.15336%0.358CS..Hα-helixtrans-69.3-43.1178-175.480.4000111.3I182 P183 D184 N188 K189 V190 K217I182-H186 HydrophobicContact CG2-CB 4.15Å; P183-H186 WeakPolarHBondContact O-CB 3.47Å; P183-H186 PolarHBondContact O-N 2.9Å; D184-H186 VanDerWaalsContact C-N 3.31Å; D184-H186 PolarHBondContact O-N 3.49Å; H186-N188 VanDerWaalsContact C-N 3.33Å; H186-N188 PolarHBondContact O-N 3.34Å; H186-K189 WeakPolarHBondContact O-CB 3.46Å; H186-K189 PolarHBondContact O-N 3.5Å; H186-V190 WeakPolarHBondContact O-CG2 3.48Å; H186-V190 PolarHBondContact O-N 3.34Å; H186-K217 PolarHBondContact CE1-O 2.66Å; H186-K217 PolarHBondContact NE2-O 2.97Å
187I96.8Very high94.7Very high5 Ų571.2 Ų71.23%0.02637%0.367CS..Hα-helixtrans-55.4-50.9174-63173.1000109.4Y173 R174 A177 I182 P183 D184 K189 V190 L191Y173-I187 HydrophobicContact CD1-CG2 4.38Å; Y173-I187 HydrophobicContact CE1-CB 4.43Å; Y173-I187 HydrophobicContact CE1-CG2 3.86Å; R174-I187 HydrophobicContact CG-CG2 4.35Å; A177-I187 HydrophobicContact CB-CD1 3.64Å; A177-I187 HydrophobicContact CB-CG1 4.07Å; I182-I187 HydrophobicContact CG2-CG1 3.98Å; P183-I187 PolarHBondContact O-N 2.98Å; P183-I187 VanDerWaalsContact O-N 3.14Å; D184-I187 PolarHBondContact O-N 3.39Å; I187-K189 VanDerWaalsContact C-N 3.31Å; I187-K189 PolarHBondContact O-N 2.92Å; I187-V190 WeakPolarHBondContact O-CB 3.46Å; I187-V190 PolarHBondContact O-N 3.48Å; I187-V190 VanDerWaalsContact O-N 3.16Å; I187-L191 HydrophobicContact CG2-CD1 3.88Å; I187-L191 HydrophobicContact CG2-CG 4.28Å; I187-L191 VanDerWaalsContact O-CG 3.26Å; I187-L191 WeakPolarHBondContact O-CG 3.26Å; I187-L191 PolarHBondContact O-N 2.77Å
188N96.2Very high94.3Very high91 Ų9171.7 Ų71.749%0.48737%0.369SS..Hα-helixtrans-61.3-37.7-179.6-71.5-36.1000112.8D184 E185 H186 L191 A192D184-N188 WeakPolarHBondContact O-CB 3.48Å; D184-N188 PolarHBondContact O-N 2.94Å; D184-N188 PolarHBondContact O-ND2 2.95Å; E185-N188 PolarHBondContact O-N 3.45Å; H186-N188 VanDerWaalsContact C-N 3.33Å; H186-N188 PolarHBondContact O-N 3.34Å; N188-L191 PolarHBondContact O-N 3.04Å; N188-A192 WeakPolarHBondContact O-CB 3.26Å; N188-A192 PolarHBondContact O-N 3.04Å
189K95.6Very high93.8Very high138 Ų13868 Ų6860%0.637%0.37SS*.Hα-helixtrans-62.6-44.8174.2179.9-178.1176.9-179.10112.2E185 H186 I187 A192 H193E185-K189 PolarHBondContact O-N 3.04Å; H186-K189 WeakPolarHBondContact O-CB 3.46Å; H186-K189 PolarHBondContact O-N 3.5Å; I187-K189 VanDerWaalsContact C-N 3.31Å; I187-K189 PolarHBondContact O-N 2.92Å; K189-A192 PolarHBondContact O-N 2.75Å; K189-H193 PolarHBondContact O-N 3.35Å
190V96.4Very high93.3Very high0 Ų070.4 Ų70.40%039%0.387CS..Hα-helixtrans-62-44.9175.9169.70000110.5Y173 H186 I187 A192 H193 L194 P216 L218Y173-V190 HydrophobicContact CE1-CB 4.2Å; Y173-V190 HydrophobicContact CE1-CG1 3.86Å; H186-V190 WeakPolarHBondContact O-CG2 3.48Å; H186-V190 PolarHBondContact O-N 3.34Å; I187-V190 WeakPolarHBondContact O-CB 3.46Å; I187-V190 PolarHBondContact O-N 3.48Å; I187-V190 VanDerWaalsContact O-N 3.16Å; V190-A192 PolarHBondContact O-N 3.06Å; V190-H193 WeakPolarHBondContact O-CB 3.33Å; V190-H193 PolarHBondContact O-N 2.76Å; V190-L194 HydrophobicContact CG1-CD1 3.8Å; V190-L194 HydrophobicContact CG1-CG 4.4Å; V190-L194 PolarHBondContact O-N 3.13Å; V190-P216 HydrophobicContact CG2-CB 4.09Å; V190-L218 HydrophobicContact CG1-CD2 3.47Å; V190-L218 VanDerWaalsContact CG1-CD2 3.47Å
191L95.9Very high92.9Very high19 Ų1968.7 Ų68.710%0.09938%0.377CS..Hα-helixtrans-65.8-38.7179.9-63.9179.4000112.7F166 W169 L170 Y173 I187 N188 H193 L194 S195F166-L191 HydrophobicContact CE2-CD2 4.42Å; F166-L191 HydrophobicContact CZ-CD2 4.01Å; W169-L191 HydrophobicContact CZ3-CD2 4.03Å; L170-L191 HydrophobicContact CD1-CD1 3.4Å; L170-L191 HydrophobicContact CD1-CD2 3.45Å; L170-L191 VanDerWaalsContact CD1-CD2 3.45Å; L170-L191 HydrophobicContact CD1-CG 4.04Å; Y173-L191 HydrophobicContact CD1-CD2 4.05Å; Y173-L191 HydrophobicContact CE1-CD2 4.25Å; I187-L191 HydrophobicContact CG2-CD1 3.88Å; I187-L191 HydrophobicContact CG2-CG 4.28Å; I187-L191 VanDerWaalsContact O-CG 3.26Å; I187-L191 WeakPolarHBondContact O-CG 3.26Å; I187-L191 PolarHBondContact O-N 2.77Å; N188-L191 PolarHBondContact O-N 3.04Å; L191-H193 VanDerWaalsContact C-N 3.27Å; L191-H193 PolarHBondContact O-N 3.45Å; L191-L194 PolarHBondContact O-N 3.3Å; L191-S195 VanDerWaalsContact O-CB 3.26Å; L191-S195 WeakPolarHBondContact O-CB 3.47Å; L191-S195 PolarHBondContact O-N 3.16Å; L191-S195 PolarHBondContact O-OG 3.1Å
192A94Very high92.6Very high64 Ų6469.9 Ų69.953%0.52938%0.383SS..Hα-helixtrans-58.3-40.7173.700000111.7N188 K189 V190 S195N188-A192 WeakPolarHBondContact O-CB 3.26Å; N188-A192 PolarHBondContact O-N 3.04Å; K189-A192 PolarHBondContact O-N 2.75Å; V190-A192 PolarHBondContact O-N 3.06Å; A192-S195 PolarHBondContact O-OG 3.41Å
193H93.7Very high92.3Very high61 Ų6171.1 Ų71.128%0.28240%0.399SS..Hα-helixtrans-66.1-51.8173.9-178.878.2000112.5K189 V190 L191 S195 F196 C215 P216K189-H193 PolarHBondContact O-N 3.35Å; V190-H193 WeakPolarHBondContact O-CB 3.33Å; V190-H193 PolarHBondContact O-N 2.76Å; L191-H193 VanDerWaalsContact C-N 3.27Å; L191-H193 PolarHBondContact O-N 3.45Å; H193-S195 PolarHBondContact O-N 3.42Å; H193-F196 WeakPolarHBondContact O-CB 3.27Å; H193-F196 PolarHBondContact O-N 3.15Å; H193-C215 WeakPolarHBondContact NE2-CA 3.47Å; H193-P216 HydrophobicContact CB-CG 4.24Å
194L95Very high92.3Very high0 Ų068.6 Ų68.60%038%0.384CS..Hα-helixtrans-67-35.7-175.2-69.9173.8000113F166 W169 V190 L191 F196 D197 I198 I205 N209 F210F166-L194 HydrophobicContact CE2-CB 4.33Å; W169-L194 HydrophobicContact CH2-CD1 3.33Å; W169-L194 HydrophobicContact CZ2-CD1 4.14Å; W169-L194 HydrophobicContact CZ3-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CD1 3.8Å; V190-L194 HydrophobicContact CG1-CG 4.4Å; V190-L194 PolarHBondContact O-N 3.13Å; L191-L194 PolarHBondContact O-N 3.3Å; L194-F196 PolarHBondContact O-N 2.95Å; L194-D197 WeakPolarHBondContact O-CB 3.33Å; L194-D197 PolarHBondContact O-N 3.35Å; L194-D197 VanDerWaalsContact O-N 3.14Å; L194-I198 HydrophobicContact CB-CD1 4.23Å; L194-I198 WeakPolarHBondContact O-CB 3.48Å; L194-I198 WeakPolarHBondContact O-CD1 3.37Å; L194-I198 WeakPolarHBondContact O-CG1 3.47Å; L194-I198 PolarHBondContact O-N 2.81Å; L194-I205 HydrophobicContact CD1-CD1 4.09Å; L194-I205 HydrophobicContact CD2-CD1 4.37Å; L194-N209 HydrophobicContact CD2-CB 4.1Å; L194-F210 HydrophobicContact CD1-CB 4.39Å; L194-F210 HydrophobicContact CD2-CB 4.18Å
195S91.3Very high92.3Very high57 Ų5762.7 Ų62.740%0.39935%0.353SS..Hα-helixtrans-59-33.2177.659.70000113.1L191 A192 H193 I198 A199L191-S195 VanDerWaalsContact O-CB 3.26Å; L191-S195 WeakPolarHBondContact O-CB 3.47Å; L191-S195 PolarHBondContact O-N 3.16Å; L191-S195 PolarHBondContact O-OG 3.1Å; A192-S195 PolarHBondContact O-OG 3.41Å; H193-S195 PolarHBondContact O-N 3.42Å; S195-I198 PolarHBondContact O-N 3.33Å; S195-A199 PolarHBondContact O-N 3.03Å; S195-A199 VanDerWaalsContact O-N 3.08Å
196F87.6Confident92.4Very high160 Ų16054.8 Ų54.870%0.70232%0.316SS*.Hα-helixtrans-63.7-46.3174.8-177-95000111.5H193 L194 I198H193-F196 WeakPolarHBondContact O-CB 3.27Å; H193-F196 PolarHBondContact O-N 3.15Å; L194-F196 PolarHBondContact O-N 2.95Å; F196-I198 VanDerWaalsContact C-N 3.29Å; F196-I198 PolarHBondContact O-N 2.85Å
197D85.3Confident92.3Very high43 Ų4354 Ų5423%0.2331%0.313CS..Hα-helixtrans-63.6-36.9177.2-74.4-9.9000112L194 T200 Q201L194-D197 WeakPolarHBondContact O-CB 3.33Å; L194-D197 PolarHBondContact O-N 3.35Å; L194-D197 VanDerWaalsContact O-N 3.14Å; D197-T200 PolarHBondContact O-N 2.82Å; D197-T200 PolarHBondContact O-OG1 2.99Å; D197-Q201 PolarHBondContact O-NE2 3.22Å
198I88.2Confident92.3Very high10 Ų1060.4 Ų60.45%0.05134%0.337CS..Hα-helixtrans-79.2-28.7-171.2-68.6169000112.4F166 L194 S195 F196 T200 Q201 G203 I205F166-I198 HydrophobicContact CB-CD1 4.03Å; F166-I198 HydrophobicContact CB-CG2 3.96Å; F166-I198 HydrophobicContact CD1-CD1 4.12Å; F166-I198 HydrophobicContact CD1-CG2 4.5Å; F166-I198 HydrophobicContact CD2-CD1 3.01Å; F166-I198 HydrophobicContact CD2-CG1 4.42Å; F166-I198 HydrophobicContact CE1-CD1 4.3Å; F166-I198 HydrophobicContact CE2-CD1 3.22Å; F166-I198 HydrophobicContact CG-CD1 3.46Å; F166-I198 VanDerWaalsContact CG-CD1 3.46Å; F166-I198 HydrophobicContact CG-CG2 4.19Å; F166-I198 HydrophobicContact CZ-CD1 3.87Å; L194-I198 HydrophobicContact CB-CD1 4.23Å; L194-I198 WeakPolarHBondContact O-CB 3.48Å; L194-I198 WeakPolarHBondContact O-CD1 3.37Å; L194-I198 WeakPolarHBondContact O-CG1 3.47Å; L194-I198 PolarHBondContact O-N 2.81Å; S195-I198 PolarHBondContact O-N 3.33Å; F196-I198 VanDerWaalsContact C-N 3.29Å; F196-I198 PolarHBondContact O-N 2.85Å; I198-T200 PolarHBondContact O-N 3.47Å; I198-T200 VanDerWaalsContact O-N 3.12Å; I198-Q201 PolarHBondContact O-N 3.33Å; I198-G203 PolarHBondContact O-N 2.99Å; I198-I205 HydrophobicContact CD1-CB 3.94Å; I198-I205 HydrophobicContact CD1-CD1 4Å; I198-I205 HydrophobicContact CD1-CG1 4.07Å; I198-I205 HydrophobicContact CG1-CB 4.39Å
199A86.6Confident92.2Very high87 Ų8756.3 Ų56.372%0.71932%0.316SS*.Hα-helixtrans-55-28.3170.200000112S195S195-A199 PolarHBondContact O-N 3.03Å; S195-A199 VanDerWaalsContact O-N 3.08Å
200T84.6Confident92.2Very high110 Ų11050 Ų5068%0.67529%0.288SS*.THydrogen-bonded Turntrans-89.8-6.917771.90000114.3D197 I198D197-T200 PolarHBondContact O-N 2.82Å; D197-T200 PolarHBondContact O-OG1 2.99Å; I198-T200 PolarHBondContact O-N 3.47Å; I198-T200 VanDerWaalsContact O-N 3.12Å
201Q86.9Confident92.1Very high43 Ų4353.9 Ų53.920%0.20131%0.307CS..THydrogen-bonded Turntrans-120.231.3-169.9-65-178.161.900113.3D197 I198 G203 A204 N209D197-Q201 PolarHBondContact O-NE2 3.22Å; I198-Q201 PolarHBondContact O-N 3.33Å; Q201-G203 PolarHBondContact O-N 3.44Å; Q201-G203 VanDerWaalsContact O-N 3.15Å; Q201-A204 PolarHBondContact O-N 3.37Å; Q201-N209 PolarHBondContact NE2-ND2 3.43Å
202N87.7Confident91.9Very high169 Ų16957.8 Ų57.890%0.90433%0.325SS*.THydrogen-bonded Turntrans52.835179.1-64.1-18.2000113.6A204N202-A204 VanDerWaalsContact C-N 3.27Å; N202-A204 PolarHBondContact O-N 3.04Å
203G92.3Very high91.8Very high38 Ų3864.4 Ų64.439%0.39234%0.341SS..THydrogen-bonded Turntrans75.79.7178.700000115.1F166 I198 Q201F166-G203 WeakPolarHBondContact CB-O 3.42Å; F166-G203 PolarHBondContact N-O 3.07Å; I198-G203 PolarHBondContact O-N 2.99Å; Q201-G203 PolarHBondContact O-N 3.44Å; Q201-G203 VanDerWaalsContact O-N 3.15Å
204A95.2Very high91.6Very high22 Ų2267.3 Ų67.318%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-101.5146177.400000112R163 L164 Q201 N202R163-A204 HydrophobicContact CB-CB 4.43Å; L164-A204 CarbonylContact O-C 3.48Å; L164-A204 WeakPolarHBondContact O-CA 3.36Å; Q201-A204 PolarHBondContact O-N 3.37Å; N202-A204 VanDerWaalsContact C-N 3.27Å; N202-A204 PolarHBondContact O-N 3.04Å
205I96.7Very high91.5Very high0 Ų067.8 Ų67.80%036%0.363CS..EExtended strand (participates in β ladder)trans-118.5146.3173.5-166.1175.1000110R163 L164 F166 W169 L194 I198 N209 F210R163-I205 CarbonylContact C-O 3.59Å; R163-I205 VanDerWaalsContact CA-O 3.3Å; R163-I205 WeakPolarHBondContact CA-O 3.4Å; L164-I205 PolarHBondContact N-O 3.16Å; L164-I205 PolarHBondContact O-N 2.94Å; F166-I205 HydrophobicContact CD2-CB 4.28Å; F166-I205 HydrophobicContact CD2-CD1 4.13Å; F166-I205 HydrophobicContact CD2-CG2 4.36Å; F166-I205 HydrophobicContact CE2-CD1 4.24Å; W169-I205 HydrophobicContact CB-CG2 3.43Å; W169-I205 VanDerWaalsContact CB-CG2 3.43Å; W169-I205 HydrophobicContact CD2-CD1 3.64Å; W169-I205 HydrophobicContact CD2-CG2 4.08Å; W169-I205 HydrophobicContact CE3-CD1 3.77Å; W169-I205 HydrophobicContact CG-CD1 4.18Å; W169-I205 HydrophobicContact CG-CG2 3.51Å; W169-I205 HydrophobicContact CH2-CD1 4.18Å; W169-I205 HydrophobicContact CZ2-CD1 4.02Å; W169-I205 HydrophobicContact CZ3-CD1 4.05Å; L194-I205 HydrophobicContact CD1-CD1 4.09Å; L194-I205 HydrophobicContact CD2-CD1 4.37Å; I198-I205 HydrophobicContact CD1-CB 3.94Å; I198-I205 HydrophobicContact CD1-CD1 4Å; I198-I205 HydrophobicContact CD1-CG1 4.07Å; I198-I205 HydrophobicContact CG1-CB 4.39Å; I205-N209 HydrophobicContact CG1-CB 3.94Å; I205-F210 HydrophobicContact CD1-CD1 3.79Å; I205-F210 HydrophobicContact CD1-CE1 4.41Å; I205-F210 HydrophobicContact CG1-CD1 4.07Å; I205-F210 HydrophobicContact CG1-CE1 4.44Å
206A96.4Very high91.6Very high0 Ų066.7 Ų66.70%035%0.354CS..  trans-132.5162.317500000110.5A161 R163 R208 N209 F210A161-A206 HydrophobicContact CB-CB 4.46Å; A161-A206 WeakPolarHBondContact O-CB 3.17Å; R163-A206 HydrophobicContact CG-CB 4.03Å; A206-R208 HydrophobicContact CB-CG 4.07Å; A206-R208 PolarHBondContact O-N 3.23Å; A206-N209 PolarHBondContact N-OD1 3.45Å; A206-N209 WeakPolarHBondContact O-CB 3.43Å; A206-N209 PolarHBondContact O-N 3.03Å; A206-N209 PolarHBondContact O-OD1 2.86Å; A206-N209 VanDerWaalsContact O-OD1 3.07Å; A206-F210 WeakPolarHBondContact O-CD1 3.36Å; A206-F210 WeakPolarHBondContact O-CE1 3.44Å
207P96.7Very high91.9Very high16 Ų1665 Ų6510%0.10435%0.346CS..Hα-helixtrans-48.5-36.6175.9-31.137.1000114.4K147 C150 A161 A162 N209 F210 M211K147-P207 HydrophobicContact CB-CB 4.23Å; K147-P207 HydrophobicContact CB-CG 4.3Å; K147-P207 HydrophobicContact CD-CB 4.38Å; K147-P207 HydrophobicContact CG-CB 3.88Å; K147-P207 HydrophobicContact CG-CG 3.88Å; C150-P207 HydrophobicContact CB-CG 4Å; A161-P207 VanDerWaalsContact O-CD 3.31Å; A161-P207 WeakPolarHBondContact O-CD 3.5Å; A162-P207 HydrophobicContact CB-CG 4.29Å; A162-P207 WeakPolarHBondContact O-CD 3.5Å; P207-N209 PolarHBondContact O-N 3.02Å; P207-N209 VanDerWaalsContact O-N 3.08Å; P207-F210 VanDerWaalsContact CA-CZ 3.49Å; P207-F210 HydrophobicContact CB-CZ 4.13Å; P207-F210 HydrophobicContact CG-CZ 4.22Å; P207-F210 PolarHBondContact O-N 3.33Å; P207-M211 HydrophobicContact CB-CG 4.27Å; P207-M211 WeakPolarHBondContact O-CB 3.44Å; P207-M211 WeakPolarHBondContact O-CG 3.44Å; P207-M211 PolarHBondContact O-N 3.02Å
208R95.3Very high92.4Very high140 Ų14063 Ų6353%0.52834%0.335SS..Hα-helixtrans-56.6-25.8177.470.9-176.7179.3-1763.6114.5A206 H212A206-R208 HydrophobicContact CB-CG 4.07Å; A206-R208 PolarHBondContact O-N 3.23Å; R208-H212 WeakPolarHBondContact O-CB 3.02Å
209N94.9Very high92.8Very high6 Ų663.3 Ų63.33%0.03234%0.337CS..Hα-helixtrans-74.9-57.8-178.9-63.697000110.6L194 Q201 I205 A206 P207 H212L194-N209 HydrophobicContact CD2-CB 4.1Å; Q201-N209 PolarHBondContact NE2-ND2 3.43Å; I205-N209 HydrophobicContact CG1-CB 3.94Å; A206-N209 PolarHBondContact N-OD1 3.45Å; A206-N209 WeakPolarHBondContact O-CB 3.43Å; A206-N209 PolarHBondContact O-N 3.03Å; A206-N209 PolarHBondContact O-OD1 2.86Å; A206-N209 VanDerWaalsContact O-OD1 3.07Å; P207-N209 PolarHBondContact O-N 3.02Å; P207-N209 VanDerWaalsContact O-N 3.08Å; N209-H212 WeakPolarHBondContact O-CB 3.42Å; N209-H212 PolarHBondContact O-N 3.38Å
210F95.8Very high93.1Very high6 Ų662.3 Ų62.33%0.02632%0.324CS..Hα-helixtrans-86.1-13.4-17557.6-98.2000114.1L146 K147 W169 L194 I205 A206 P207 L218L146-F210 HydrophobicContact CB-CE2 4Å; L146-F210 HydrophobicContact CB-CZ 4.09Å; K147-F210 HydrophobicContact CB-CE2 4.15Å; K147-F210 HydrophobicContact CB-CZ 4.37Å; W169-F210 AromaticContact CD1-CE1 4Å; W169-F210 AromaticContact CE2-CD1 3.89Å; W169-F210 AromaticContact CE2-CE1 3.99Å; W169-F210 HydrophobicContact CZ2-CB 4.21Å; W169-F210 AromaticContact CZ2-CD1 3.87Å; W169-F210 HydrophobicContact CZ2-CD1 3.87Å; W169-F210 HydrophobicContact CZ2-CE1 4.38Å; W169-F210 HydrophobicContact CZ2-CG 4.05Å; W169-F210 AromaticContact NE1-CD1 3.64Å; W169-F210 AromaticContact NE1-CE1 3.26Å; W169-F210 VanDerWaalsContact NE1-CE1 3.26Å; W169-F210 AromaticContact NE1-CZ 3.75Å; L194-F210 HydrophobicContact CD1-CB 4.39Å; L194-F210 HydrophobicContact CD2-CB 4.18Å; I205-F210 HydrophobicContact CD1-CD1 3.79Å; I205-F210 HydrophobicContact CD1-CE1 4.41Å; I205-F210 HydrophobicContact CG1-CD1 4.07Å; I205-F210 HydrophobicContact CG1-CE1 4.44Å; A206-F210 WeakPolarHBondContact O-CD1 3.36Å; A206-F210 WeakPolarHBondContact O-CE1 3.44Å; P207-F210 VanDerWaalsContact CA-CZ 3.49Å; P207-F210 HydrophobicContact CB-CZ 4.13Å; P207-F210 HydrophobicContact CG-CZ 4.22Å; P207-F210 PolarHBondContact O-N 3.33Å; F210-L218 HydrophobicContact CB-CD1 4.17Å; F210-L218 HydrophobicContact CB-CD2 4.14Å; F210-L218 HydrophobicContact CB-CG 4.5Å; F210-L218 HydrophobicContact CD2-CD1 3.95Å; F210-L218 HydrophobicContact CG-CD1 4.3Å
211M94.3Very high93.3Very high81 Ų8160.1 Ų60.140%0.39931%0.313SS..THydrogen-bonded Turntrans-90.5-3.7171.4-56.9-101.452.300112.6K147 P207K147-M211 HydrophobicContact CB-SD 4.27Å; K147-M211 HydrophobicContact CD-SD 4.16Å; P207-M211 HydrophobicContact CB-CG 4.27Å; P207-M211 WeakPolarHBondContact O-CB 3.44Å; P207-M211 WeakPolarHBondContact O-CG 3.44Å; P207-M211 PolarHBondContact O-N 3.02Å
212H92.1Very high92.7Very high100 Ų10059.4 Ų59.446%0.46331%0.309SS..SBendtrans-67.3145.5179.9-164.3-100.4000111.2R208 N209 N214 C215R208-H212 WeakPolarHBondContact O-CB 3.02Å; N209-H212 WeakPolarHBondContact O-CB 3.42Å; N209-H212 PolarHBondContact O-N 3.38Å; H212-N214 PolarHBondContact CE1-ND2 2.83Å; H212-N214 WeakPolarHBondContact ND1-CB 3.4Å; H212-N214 PolarHBondContact ND1-N 3.21Å; H212-N214 PolarHBondContact O-N 3.17Å; H212-N214 VanDerWaalsContact O-N 3.14Å; H212-C215 WeakPolarHBondContact O-CB 3.47Å; H212-C215 PolarHBondContact O-N 3.08Å
213K90.2Very high91.6Very high203 Ų20355.3 Ų55.388%0.88331%0.307SS*.THydrogen-bonded Turntrans-60.3-27.5-179.1-64.7-179.1-179.8-179.90113.9
214N90.2Very high89.7Confident122 Ų12257.1 Ų57.165%0.65231%0.31SS*.THydrogen-bonded Turntrans-87.1-11.2179.3-60.1-12.7000113H212H212-N214 PolarHBondContact CE1-ND2 2.83Å; H212-N214 WeakPolarHBondContact ND1-CB 3.4Å; H212-N214 PolarHBondContact ND1-N 3.21Å; H212-N214 PolarHBondContact O-N 3.17Å; H212-N214 VanDerWaalsContact O-N 3.14Å
215C92.8Very high87.1Confident11 Ų1161.2 Ų61.27%0.07433%0.329CS..SBendtrans-72.5131.8173.7-175.80000108.7H193 H212 K217H193-C215 WeakPolarHBondContact NE2-CA 3.47Å; H212-C215 WeakPolarHBondContact O-CB 3.47Å; H212-C215 PolarHBondContact O-N 3.08Å; C215-K217 PolarHBondContact O-N 2.61Å
216P93.6Very high84.6Confident34 Ų3466.2 Ų66.222%0.22136%0.36CS..PPolyproline II helixtrans-53.6142.9167.6-21.331.8000110.1V190 H193 L218V190-P216 HydrophobicContact CG2-CB 4.09Å; H193-P216 HydrophobicContact CB-CG 4.24Å; P216-L218 PolarHBondContact O-N 2.86Å
217K94.9Very high81.9Confident124 Ų12472.4 Ų72.454%0.53939%0.392SS..PPolyproline II helixtrans-56.4135.4176.7-67.2-63.4-171.1175.60110.2H186 C215 N219 E222H186-K217 PolarHBondContact CE1-O 2.66Å; H186-K217 PolarHBondContact NE2-O 2.97Å; C215-K217 PolarHBondContact O-N 2.61Å; K217-N219 VanDerWaalsContact C-N 3.29Å; K217-N219 WeakPolarHBondContact CB-O 3.44Å; K217-N219 PolarHBondContact O-N 3.16Å; K217-E222 HydrophobicContact CD-CB 4.42Å
218L96.2Very high79.1Confident0 Ų075 Ų750%042%0.415CS..SBendtrans-66.4-37.2-177.6-62.3-170.5000111.5L142 L146 W169 Y173 V190 F210 P216L142-L218 HydrophobicContact CD2-CB 4.08Å; L142-L218 HydrophobicContact CG-CB 4.16Å; L146-L218 HydrophobicContact CD1-CD1 3.44Å; L146-L218 VanDerWaalsContact CD1-CD1 3.44Å; W169-L218 HydrophobicContact CH2-CD2 4.38Å; W169-L218 HydrophobicContact CZ2-CD1 4.17Å; W169-L218 HydrophobicContact CZ2-CD2 4.5Å; Y173-L218 HydrophobicContact CE2-CB 3.9Å; Y173-L218 HydrophobicContact CE2-CD2 4.43Å; Y173-L218 PolarHBondContact OH-O 3.22Å; V190-L218 HydrophobicContact CG1-CD2 3.47Å; V190-L218 VanDerWaalsContact CG1-CD2 3.47Å; F210-L218 HydrophobicContact CB-CD1 4.17Å; F210-L218 HydrophobicContact CB-CD2 4.14Å; F210-L218 HydrophobicContact CB-CG 4.5Å; F210-L218 HydrophobicContact CD2-CD1 3.95Å; F210-L218 HydrophobicContact CG-CD1 4.3Å; P216-L218 PolarHBondContact O-N 2.86Å
219N95.4Very high76.3Confident17 Ų1776.4 Ų76.49%0.09143%0.425CS..SBendtrans-111.6124.3167.4-179-26.5000109.3L142 D180 I182 K217 S221 E222L142-N219 HydrophobicContact CB-CB 4.25Å; L142-N219 HydrophobicContact CD2-CB 4.1Å; D180-N219 PolarHBondContact OD2-ND2 3.34Å; D180-N219 VanDerWaalsContact OD2-ND2 3.13Å; I182-N219 HydrophobicContact CD1-CB 3.58Å; I182-N219 HydrophobicContact CG1-CB 4.4Å; K217-N219 VanDerWaalsContact C-N 3.29Å; K217-N219 WeakPolarHBondContact CB-O 3.44Å; K217-N219 PolarHBondContact O-N 3.16Å; N219-S221 PolarHBondContact O-N 3.39Å; N219-S221 VanDerWaalsContact O-N 3.15Å; N219-S221 WeakPolarHBondContact OD1-CB 3.43Å; N219-S221 PolarHBondContact OD1-N 3.42Å; N219-S221 PolarHBondContact OD1-OG 3.35Å; N219-E222 HydrophobicContact CB-CG 3.92Å; N219-E222 WeakPolarHBondContact O-CB 3.38Å; N219-E222 PolarHBondContact O-N 3.14Å
220P92.5Very high73.5Confident66 Ų6681.5 Ų81.543%0.42946%0.457SS..THydrogen-bonded Turntrans-64-19.9-175.826.2-33.6000113.4
221S88.4Confident70.6Confident65 Ų6589.9 Ų89.946%0.45550%0.496SS..THydrogen-bonded Turntrans-83.4-9.4175.969.10000113.9N219 G223 V224N219-S221 PolarHBondContact O-N 3.39Å; N219-S221 VanDerWaalsContact O-N 3.15Å; N219-S221 WeakPolarHBondContact OD1-CB 3.43Å; N219-S221 PolarHBondContact OD1-N 3.42Å; N219-S221 PolarHBondContact OD1-OG 3.35Å; S221-G223 PolarHBondContact O-N 3.44Å; S221-G223 VanDerWaalsContact O-N 3.1Å; S221-V224 PolarHBondContact O-N 3.15Å; S221-V224 VanDerWaalsContact O-N 3.08Å
222E76.3Confident68Low27 Ų2790.6 Ų90.613%0.12651%0.509CS..THydrogen-bonded Turntrans-62.6113.2179.3-82.6173.8179.200111.8T141 L142 S143 K217 N219T141-E222 WeakPolarHBondContact CB-OE1 3.06Å; T141-E222 HydrophobicContact CG2-CG 4.2Å; L142-E222 WeakPolarHBondContact CA-OE1 3.45Å; L142-E222 VanDerWaalsContact CB-OE1 3.29Å; L142-E222 WeakPolarHBondContact CB-OE1 3.45Å; L142-E222 PolarHBondContact N-OE1 2.94Å; S143-E222 PolarHBondContact N-OE1 3.38Å; S143-E222 PolarHBondContact OG-OE2 2.81Å; K217-E222 HydrophobicContact CD-CB 4.42Å; N219-E222 HydrophobicContact CB-CG 3.92Å; N219-E222 WeakPolarHBondContact O-CB 3.38Å; N219-E222 PolarHBondContact O-N 3.14Å
223G63.7Low65.3Low83 Ų8392.5 Ų92.586%0.85653%0.528SS*.THydrogen-bonded Turntrans89.6-0.5179.500000114.4S221 N225S221-G223 PolarHBondContact O-N 3.44Å; S221-G223 VanDerWaalsContact O-N 3.1Å; G223-N225 PolarHBondContact O-N 2.95Å; G223-N225 VanDerWaalsContact O-N 3.17Å
224V52.2Low62.8Low76 Ų7688.7 Ų88.746%0.46152%0.521SS..  trans-73.7103.8161.6-175.80000106.1S221 V226S221-V224 PolarHBondContact O-N 3.15Å; S221-V224 VanDerWaalsContact O-N 3.08Å; V224-V226 HydrophobicContact CG1-CG2 4.47Å; V224-V226 PolarHBondContact O-N 3.02Å
225N39.9Very low60.1Low108 Ų10891.1 Ų91.158%0.57853%0.529SS*.  trans-65.493169.8-160.42.8000106.7G223 L227 A228G223-N225 PolarHBondContact O-N 2.95Å; G223-N225 VanDerWaalsContact O-N 3.17Å; N225-L227 PolarHBondContact O-N 3.33Å; N225-A228 WeakPolarHBondContact O-CB 3.33Å; N225-A228 PolarHBondContact O-N 3.27Å
226V44.5Very low57.6Low106 Ų106102.2 Ų102.264%0.64259%0.587SS**G310 helixtrans-61.8-16.1-179.8-170.40000110.6V224 A228 F229V224-V226 HydrophobicContact CG1-CG2 4.47Å; V224-V226 PolarHBondContact O-N 3.02Å; V226-A228 PolarHBondContact O-N 3.38Å; V226-F229 PolarHBondContact O-N 3.05Å
227L39.9Very low55.8Low129 Ų129105.6 Ų105.668%0.67561%0.606SS**G310 helixtrans-68.7-14.1169.7-62.3174.1000114.2N225 F229 T230N225-L227 PolarHBondContact O-N 3.33Å; L227-F229 PolarHBondContact O-N 2.86Å; L227-T230 PolarHBondContact O-OG1 3.4Å
228A38.2Very low53.7Low71 Ų71104.6 Ų104.659%0.58761%0.609SS**G310 helixtrans-77-8175.700000113.5N225 V226N225-A228 WeakPolarHBondContact O-CB 3.33Å; N225-A228 PolarHBondContact O-N 3.27Å; V226-A228 PolarHBondContact O-N 3.38Å
229F37.4Very low51.4Low170 Ų170110.4 Ų110.475%0.74664%0.643SS**G310 helixtrans-972.9176-80-74.7000114.3V226 L227V226-F229 PolarHBondContact O-N 3.05Å; L227-F229 PolarHBondContact O-N 2.86Å
230T35.5Very low48.8Very low113 Ų113115.9 Ų115.969%0.69368%0.675SS**SBendtrans-106.86176.950.90000114.9L227L227-T230 PolarHBondContact O-OG1 3.4Å
231E35Very low46.1Very low182 Ų182119.1 Ų119.185%0.8569%0.691SS**SBendtrans-120.861.2173.9-71.6-173.4172.700111.7
232S39.5Very low43.2Very low96 Ų96122.7 Ų122.767%0.67171%0.706SS**SBendtrans-160.160.1160.568.10000112.7
233T34.7Very low40.9Very low140 Ų140129.5 Ų129.586%0.85975%0.748SS**  trans-169.173.8153.941.90000110.4
234V37.6Very low39.1Very low123 Ų123133.1 Ų133.175%0.74574%0.74SS**  trans-145.1110.6151.9-177.20000108.1
235E34.5Very low38Very low173 Ų173137.8 Ų137.881%0.80876%0.763SS**  trans63.6104.4147.3-62.1168173.400120.1
236D39.6Very low37.9Very low243 Ų243140.5 Ų140.5100%1.29978%0.78SS**  -147.9099.8-89.1-32.3000110.6

Retrieved 236 of 236 residues in 176.3 ms (Link to these results)

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