A0A068BCC2_HUMAN Loading...

Truncated breast and ovarian cancer susceptibility protein 2

AlphaFold DB , UniProt , Accession A0A068BCC2, Species HUMAN (Homo sapiens, Human), Gene BRCA2, Length 110 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
1L42.3Very low41.2Very low169 Ų169106.8 Ų106.889%0.88555%0.551SS**  0-49.40-91.293.2000113.3
2Y33.6Very low41.3Very low153 Ų153113.7 Ų113.760%0.657%0.574SS**G310 helixtrans-79.1-14174.8-75.4-75000115.3Y4 K8 I11Y2-Y4 VanDerWaalsContact C-N 3.34Å; Y2-K8 HydrophobicContact CE1-CD 4.28Å; Y2-K8 HydrophobicContact CE1-CG 3.61Å; Y2-I11 HydrophobicContact CE1-CD1 4.38Å
3T32.6Very low41.8Very low133 Ų133108.2 Ų108.282%0.81655%0.546SS*.G310 helixtrans-78.7-13.8179.6-47.80000113.8
4Y43.5Very low42.2Very low187 Ų187107.9 Ų107.973%0.73355%0.547SS*.G310 helixtrans-103.918.7-175.8-79.5-85.1000113.6Y2 V6Y2-Y4 VanDerWaalsContact C-N 3.34Å; Y4-V6 PolarHBondContact O-N 3.03Å
5G40.6Very low42.3Very low61 Ų61106.4 Ų106.463%0.62955%0.551SS**THydrogen-bonded Turntrans73.524.7176.900000114.5S7G5-S7 PolarHBondContact O-N 3.02Å; G5-S7 VanDerWaalsContact O-N 3.07Å
6V38.1Very low42.5Very low53 Ų53111.6 Ų111.632%0.32157%0.568SS.*  trans-75.2101.9173.2-1740000108.6Y4 K8 I11Y4-V6 PolarHBondContact O-N 3.03Å; V6-K8 PolarHBondContact O-N 3.12Å; V6-I11 HydrophobicContact CG1-CD1 4.11Å; V6-I11 HydrophobicContact CG1-CG1 3.91Å
7S42.5Very low42.5Very low25 Ų25110.4 Ų110.418%0.17556%0.563CS.*  trans-59.3133.2174.5-179.30000110.2G5 H9 C10 Y28G5-S7 PolarHBondContact O-N 3.02Å; G5-S7 VanDerWaalsContact O-N 3.07Å; S7-H9 PolarHBondContact O-N 3Å; S7-C10 PolarHBondContact O-N 3.38Å; S7-Y28 WeakPolarHBondContact CB-OH 3.19Å
8K46.6Very low43Very low156 Ų156105.9 Ų105.968%0.67855%0.545SS*.THydrogen-bonded Turntrans-56.6-23.1-178.5-78.2178.5-180176.40112.9Y2 V6 C10Y2-K8 HydrophobicContact CE1-CD 4.28Å; Y2-K8 HydrophobicContact CE1-CG 3.61Å; V6-K8 PolarHBondContact O-N 3.12Å; K8-C10 VanDerWaalsContact C-N 3.32Å
9H45Very low42.9Very low105 Ų105105.9 Ų105.949%0.48654%0.543SS..THydrogen-bonded Turntrans-70.5-28.7179.2-148.363.1000112.5S7 F21S7-H9 PolarHBondContact O-N 3Å; H9-F21 AromaticContact CD2-CE2 3.29Å; H9-F21 WeakPolarHBondContact CD2-CE2 3.23Å; H9-F21 AromaticContact CD2-CZ 3.51Å; H9-F21 AromaticContact NE2-CE2 3.87Å
10C43.1Very low43.2Very low37 Ų37105.1 Ų105.125%0.2555%0.547CS..G310 helixtrans-80.1-22.7-178-63.20000113.9S7 K8 K12 I13S7-C10 PolarHBondContact O-N 3.38Å; K8-C10 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 3.5Å; C10-I13 HydrophobicContact CB-CD1 4.39Å; C10-I13 PolarHBondContact O-N 3.3Å
11I45.5Very low43.6Very low96 Ų96101.5 Ų101.549%0.49253%0.527SS..G310 helixtrans-69.2-18.7-177.5-66.8174.4000112.3Y2 V6Y2-I11 HydrophobicContact CE1-CD1 4.38Å; V6-I11 HydrophobicContact CG1-CD1 4.11Å; V6-I11 HydrophobicContact CG1-CG1 3.91Å
12K42.5Very low44Very low189 Ų18997.9 Ų97.982%0.82251%0.506SS*.G310 helixtrans-98.74.9-179-98-178.9176.5-179.80114.7C10 N14C10-K12 PolarHBondContact O-N 3.5Å; K12-N14 PolarHBondContact O-N 3.17Å
13I47.6Very low45.2Very low42 Ų4294.2 Ų94.222%0.21549%0.493CS..  trans-81.4119-179-49.2178000109.3C10 A18 F21C10-I13 HydrophobicContact CB-CD1 4.39Å; C10-I13 PolarHBondContact O-N 3.3Å; I13-A18 HydrophobicContact CG2-CB 3.92Å; I13-F21 HydrophobicContact CD1-CB 4.47Å; I13-F21 HydrophobicContact CD1-CD1 3.7Å; I13-F21 HydrophobicContact CD1-CD2 3.34Å; I13-F21 HydrophobicContact CD1-CE1 3.59Å; I13-F21 HydrophobicContact CD1-CE2 3.24Å; I13-F21 HydrophobicContact CD1-CG 3.56Å; I13-F21 HydrophobicContact CD1-CZ 3.38Å; I13-F21 HydrophobicContact CG1-CD2 3.53Å; I13-F21 HydrophobicContact CG1-CE2 3.51Å; I13-F21 HydrophobicContact CG1-CG 4.17Å; I13-F21 HydrophobicContact CG1-CZ 4.14Å
14N47.4Very low46.1Very low104 Ų10491.5 Ų91.556%0.55647%0.471SS*.  trans-108.7160.5171.5-170-63.9000108.5K12 K16 N17 A18K12-N14 PolarHBondContact O-N 3.17Å; N14-K16 PolarHBondContact O-N 3.47Å; N14-N17 CarbonylContact O-C 3.55Å; N14-N17 PolarHBondContact O-N 3.07Å; N14-A18 PolarHBondContact O-N 3.45Å
15S44.1Very low46.4Very low86 Ų8682.9 Ų82.960%0.60144%0.438SS*.THydrogen-bonded Turntrans-53.1-30.4179.963.60000113.5
16K45.5Very low46.7Very low189 Ų18984.7 Ų84.782%0.82243%0.43SS*.THydrogen-bonded Turntrans-75.1-25.8175-69.2-174.2178.1-175.70114.7N14N14-K16 PolarHBondContact O-N 3.47Å
17N42.5Very low47.3Very low91 Ų9187.9 Ų87.949%0.48745%0.445SS..THydrogen-bonded Turntrans-108.20.1-176.2-152.685.8000112.5N14 E19 F21N14-N17 CarbonylContact O-C 3.55Å; N14-N17 PolarHBondContact O-N 3.07Å; N17-E19 VanDerWaalsContact C-N 3.29Å; N17-F21 PolarHBondContact O-N 3.32Å
18A50.3Low47.6Very low30 Ų3091.2 Ų91.225%0.24845%0.454CS..SBendtrans-66.5-32.7175.300000111.6I13 N14 F21I13-A18 HydrophobicContact CG2-CB 3.92Å; N14-A18 PolarHBondContact O-N 3.45Å; A18-F21 WeakPolarHBondContact O-CB 3.03Å; A18-F21 PolarHBondContact O-N 2.94Å
19E42.1Very low47.7Very low106 Ų10687.5 Ų87.550%0.49544%0.439SS..THydrogen-bonded Turntrans-71.1-32.8-178.6-175.1165.210300113.6N17 K58N17-E19 VanDerWaalsContact C-N 3.29Å; E19-K58 HydrophobicContact CG-CD 3.92Å; E19-K58 IonicContact OE2-NZ 2.71Å; E19-K58 PolarHBondContact OE2-NZ 2.7Å
20S47.5Very low47.7Very low90 Ų9084.8 Ų84.863%0.62944%0.439SS*.THydrogen-bonded Turntrans-96.812175.7-59.30000113Q22S20-Q22 PolarHBondContact O-N 2.96Å
21F52.5Low47.9Very low30 Ų3090.2 Ų90.213%0.13246%0.458CS..  trans-71122178.4-168.2-106.6000109.7H9 I13 N17 A18 F23H9-F21 AromaticContact CD2-CE2 3.29Å; H9-F21 WeakPolarHBondContact CD2-CE2 3.23Å; H9-F21 AromaticContact CD2-CZ 3.51Å; H9-F21 AromaticContact NE2-CE2 3.87Å; I13-F21 HydrophobicContact CD1-CB 4.47Å; I13-F21 HydrophobicContact CD1-CD1 3.7Å; I13-F21 HydrophobicContact CD1-CD2 3.34Å; I13-F21 HydrophobicContact CD1-CE1 3.59Å; I13-F21 HydrophobicContact CD1-CE2 3.24Å; I13-F21 HydrophobicContact CD1-CG 3.56Å; I13-F21 HydrophobicContact CD1-CZ 3.38Å; I13-F21 HydrophobicContact CG1-CD2 3.53Å; I13-F21 HydrophobicContact CG1-CE2 3.51Å; I13-F21 HydrophobicContact CG1-CG 4.17Å; I13-F21 HydrophobicContact CG1-CZ 4.14Å; N17-F21 PolarHBondContact O-N 3.32Å; A18-F21 WeakPolarHBondContact O-CB 3.03Å; A18-F21 PolarHBondContact O-N 2.94Å; F21-F23 AromaticContact CD1-CD1 3.82Å; F21-F23 HydrophobicContact CD1-CD1 3.82Å; F21-F23 AromaticContact CD1-CE1 3.75Å; F21-F23 HydrophobicContact CD1-CE1 3.75Å; F21-F23 AromaticContact CE1-CD1 3.61Å; F21-F23 HydrophobicContact CE1-CD1 3.61Å; F21-F23 AromaticContact CE1-CE1 3.95Å; F21-F23 HydrophobicContact CE1-CE1 3.95Å
22Q51.1Low47.8Very low92 Ų9294 Ų9443%0.4347%0.473SS..  trans-118.1120177.8-67.9-179.5-25.800108S20 K55 A56S20-Q22 PolarHBondContact O-N 2.96Å; Q22-K55 HydrophobicContact CB-CB 4.4Å; Q22-A56 WeakPolarHBondContact CA-O 3.36Å
23F57.9Low47.9Very low76 Ų7687.4 Ų87.433%0.33345%0.452SS..EExtended strand (participates in β ladder)trans-72.4132175.3-21.2-87000107.6F21 T25 K55 A56 F61F21-F23 AromaticContact CD1-CD1 3.82Å; F21-F23 HydrophobicContact CD1-CD1 3.82Å; F21-F23 AromaticContact CD1-CE1 3.75Å; F21-F23 HydrophobicContact CD1-CE1 3.75Å; F21-F23 AromaticContact CE1-CD1 3.61Å; F21-F23 HydrophobicContact CE1-CD1 3.61Å; F21-F23 AromaticContact CE1-CE1 3.95Å; F21-F23 HydrophobicContact CE1-CE1 3.95Å; F23-T25 PolarHBondContact O-N 3.45Å; F23-K55 WeakPolarHBondContact O-CA 3.49Å; F23-A56 HydrophobicContact CD2-CB 4.19Å; F23-A56 WeakPolarHBondContact CD2-O 3.39Å; F23-A56 WeakPolarHBondContact CE2-O 3.07Å; F23-A56 PolarHBondContact N-O 3.3Å; F23-A56 PolarHBondContact O-N 2.89Å; F23-F61 AromaticContact CD2-CE2 3.63Å; F23-F61 HydrophobicContact CD2-CE2 3.63Å; F23-F61 AromaticContact CD2-CZ 3.89Å; F23-F61 HydrophobicContact CD2-CZ 3.89Å; F23-F61 AromaticContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CE1 4.41Å; F23-F61 AromaticContact CE2-CE2 3.13Å; F23-F61 HydrophobicContact CE2-CE2 3.13Å; F23-F61 AromaticContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CE2-CZ 3.43Å; F23-F61 VanDerWaalsContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CZ-CE2 4.14Å; F23-F61 HydrophobicContact CZ-CZ 4.16Å
24H52.1Low47.8Very low77 Ų7787.5 Ų87.536%0.35645%0.452SS..EExtended strand (participates in β ladder)trans-80.6106.9167.7-74.633.3000107.1E26 D27 K55H24-E26 PolarHBondContact O-N 2.96Å; H24-D27 HydrophobicContact CB-CB 4.49Å; H24-D27 PolarHBondContact O-N 3.32Å; H24-D27 VanDerWaalsContact O-N 3.09Å; H24-K55 WeakPolarHBondContact CE1-CE 2.99Å
25T48.9Very low47.6Very low6 Ų693.8 Ų93.84%0.03747%0.468CS..Hα-helixtrans-63-24.5-176-6.70000111.7F23 D27 Y28 F29 I40 G54F23-T25 PolarHBondContact O-N 3.45Å; T25-D27 VanDerWaalsContact C-N 3.31Å; T25-D27 PolarHBondContact O-N 3.33Å; T25-Y28 PolarHBondContact O-N 3.4Å; T25-F29 HydrophobicContact CG2-CD2 3.86Å; T25-F29 HydrophobicContact CG2-CE2 4.39Å; T25-F29 WeakPolarHBondContact O-CA 3.37Å; T25-F29 WeakPolarHBondContact O-CB 3.41Å; T25-F29 PolarHBondContact O-N 3.3Å; T25-I40 HydrophobicContact CG2-CD1 3.16Å; T25-G54 WeakPolarHBondContact CB-O 3.29Å; T25-G54 PolarHBondContact N-O 3.43Å; T25-G54 VanDerWaalsContact OG1-C 3.31Å; T25-G54 PolarHBondContact OG1-O 3.19Å
26E48.6Very low47.7Very low99 Ų9994 Ų9446%0.46347%0.466SS..Hα-helixtrans-67-25174.9-42.9-167.361.800114.8H24 L34H24-E26 PolarHBondContact O-N 2.96Å; E26-L34 HydrophobicContact CB-CD1 3.89Å; E26-L34 HydrophobicContact CG-CD1 3.57Å; E26-L34 HydrophobicContact CG-CD2 4.23Å
27D50.4Low47.8Very low119 Ų11988.6 Ų88.664%0.63646%0.464SS*.Hα-helixtrans-81-23.1-177.6-146.3-114.2000111.3H24 T25H24-D27 HydrophobicContact CB-CB 4.49Å; H24-D27 PolarHBondContact O-N 3.32Å; H24-D27 VanDerWaalsContact O-N 3.09Å; T25-D27 VanDerWaalsContact C-N 3.31Å; T25-D27 PolarHBondContact O-N 3.33Å
28Y49.1Very low48.1Very low95 Ų9591.1 Ų91.137%0.37347%0.471SS..Hα-helixtrans-109.5-40.9-176.6-69.9-82.4000112.8S7 T25 F82S7-Y28 WeakPolarHBondContact CB-OH 3.19Å; T25-Y28 PolarHBondContact O-N 3.4Å; Y28-F82 HydrophobicContact CD1-CZ 4.32Å; Y28-F82 AromaticContact CE1-CE1 3.74Å; Y28-F82 HydrophobicContact CE1-CE1 3.74Å; Y28-F82 AromaticContact CE1-CZ 3.87Å; Y28-F82 HydrophobicContact CE1-CZ 3.87Å
29F48.9Very low48.2Very low79 Ų7990.3 Ų90.335%0.34647%0.465SS..SBendtrans-103.3105.7174.4-65.2-91.2000106.8T25 I40T25-F29 HydrophobicContact CG2-CD2 3.86Å; T25-F29 HydrophobicContact CG2-CE2 4.39Å; T25-F29 WeakPolarHBondContact O-CA 3.37Å; T25-F29 WeakPolarHBondContact O-CB 3.41Å; T25-F29 PolarHBondContact O-N 3.3Å; F29-I40 HydrophobicContact CB-CD1 4.12Å; F29-I40 HydrophobicContact CD1-CD1 4.16Å; F29-I40 HydrophobicContact CD1-CG1 4.1Å; F29-I40 HydrophobicContact CD1-CG2 3.76Å; F29-I40 HydrophobicContact CD2-CD1 3.61Å; F29-I40 HydrophobicContact CD2-CG1 4.42Å; F29-I40 HydrophobicContact CD2-CG2 4.46Å; F29-I40 HydrophobicContact CE1-CB 4.49Å; F29-I40 HydrophobicContact CE1-CG1 4.46Å; F29-I40 HydrophobicContact CE1-CG2 3.28Å; F29-I40 HydrophobicContact CE2-CD1 4.05Å; F29-I40 HydrophobicContact CE2-CG2 4.04Å; F29-I40 HydrophobicContact CG-CD1 3.67Å; F29-I40 HydrophobicContact CG-CG1 4.09Å; F29-I40 HydrophobicContact CG-CG2 4.34Å; F29-I40 HydrophobicContact CZ-CG2 3.44Å; F29-I40 VanDerWaalsContact CZ-CG2 3.44Å
30G43.8Very low48.9Very low47 Ų4785.7 Ų85.749%0.48544%0.444SS..  trans-46.8145.9178.100000111.1E32 S33G30-E32 PolarHBondContact O-N 3.36Å; G30-S33 PolarHBondContact O-N 3.44Å
31K47.6Very low48.9Very low152 Ų15287.3 Ų87.366%0.66144%0.441SS*.THydrogen-bonded Turntrans-44.6-23.7-170.7-66.6-179.6176-179.30115.6S33 L34K31-S33 VanDerWaalsContact C-N 3.31Å; K31-S33 PolarHBondContact O-N 2.95Å; K31-L34 PolarHBondContact O-N 2.81Å
32E43.3Very low49Very low174 Ų17486.8 Ų86.881%0.81344%0.44SS*.THydrogen-bonded Turntrans-59.7-32.4173-72.5175.580.200114.2G30G30-E32 PolarHBondContact O-N 3.36Å
33S44.1Very low48.6Very low52 Ų5287.7 Ų87.736%0.36446%0.463SS..THydrogen-bonded Turntrans-78.7-27.1-178.8-59.90000113.2G30 K31G30-S33 PolarHBondContact O-N 3.44Å; K31-S33 VanDerWaalsContact C-N 3.31Å; K31-S33 PolarHBondContact O-N 2.95Å
34L45.5Very low47.9Very low43 Ų4388.6 Ų88.623%0.22547%0.471CS..THydrogen-bonded Turntrans-77.3-31.5179-78.6126.4000112.8E26 K31 T36 G37E26-L34 HydrophobicContact CB-CD1 3.89Å; E26-L34 HydrophobicContact CG-CD1 3.57Å; E26-L34 HydrophobicContact CG-CD2 4.23Å; K31-L34 PolarHBondContact O-N 2.81Å; L34-T36 PolarHBondContact O-N 3.42Å; L34-G37 PolarHBondContact O-N 3.5Å
35W44.4Very low47.6Very low236 Ų23686.6 Ų86.689%0.89447%0.471SS*.THydrogen-bonded Turntrans-66.5-18.9-179.8-79.815.6000113.7G37W35-G37 PolarHBondContact O-N 3.07Å
36T46Very low47.6Very low92 Ų9287.6 Ų87.656%0.56448%0.483SS*.THydrogen-bonded Turntrans-76.6-10.9-177.7-1100000113.1L34 K38L34-T36 PolarHBondContact O-N 3.42Å; T36-K38 HydrophobicContact CG2-CB 3.33Å; T36-K38 HydrophobicContact CG2-CD 4.42Å; T36-K38 WeakPolarHBondContact O-CB 3.29Å; T36-K38 PolarHBondContact O-N 2.77Å
37G47.8Very low47.7Very low75 Ų7588.6 Ų88.677%0.77348%0.482SS*.SBendtrans58.58.9175.400000114.7L34 W35L34-G37 PolarHBondContact O-N 3.5Å; W35-G37 PolarHBondContact O-N 3.07Å
38K48.8Very low47.9Very low144 Ų14483.2 Ų83.263%0.62645%0.454SS*.SBendtrans-1080.2-165.5-137.6172.4-171.6-176.40112.8T36 W47T36-K38 HydrophobicContact CG2-CB 3.33Å; T36-K38 HydrophobicContact CG2-CD 4.42Å; T36-K38 WeakPolarHBondContact O-CB 3.29Å; T36-K38 PolarHBondContact O-N 2.77Å; K38-W47 HydrophobicContact CB-CZ3 4.12Å; K38-W47 HydrophobicContact CD-CH2 4.41Å; K38-W47 HydrophobicContact CG-CH2 4.46Å; K38-W47 HydrophobicContact CG-CZ3 4.14Å; K38-W47 VanDerWaalsContact O-CZ3 3.23Å; K38-W47 WeakPolarHBondContact O-CZ3 3.2Å
39G52.5Low48.2Very low12 Ų1284.3 Ų84.312%0.12447%0.465CS..  trans78.6162.3-170.300000112.3L48G39-L48 CarbonylContact C-O 3.39Å; G39-L48 WeakPolarHBondContact CA-O 3.46Å
40I55.3Low48.2Very low10 Ų1081.8 Ų81.85%0.05146%0.456CS..EExtended strand (participates in β ladder)trans-88.5124.2177.7-70.3154.3000108T25 F29 L42 L48T25-I40 HydrophobicContact CG2-CD1 3.16Å; F29-I40 HydrophobicContact CB-CD1 4.12Å; F29-I40 HydrophobicContact CD1-CD1 4.16Å; F29-I40 HydrophobicContact CD1-CG1 4.1Å; F29-I40 HydrophobicContact CD1-CG2 3.76Å; F29-I40 HydrophobicContact CD2-CD1 3.61Å; F29-I40 HydrophobicContact CD2-CG1 4.42Å; F29-I40 HydrophobicContact CD2-CG2 4.46Å; F29-I40 HydrophobicContact CE1-CB 4.49Å; F29-I40 HydrophobicContact CE1-CG1 4.46Å; F29-I40 HydrophobicContact CE1-CG2 3.28Å; F29-I40 HydrophobicContact CE2-CD1 4.05Å; F29-I40 HydrophobicContact CE2-CG2 4.04Å; F29-I40 HydrophobicContact CG-CD1 3.67Å; F29-I40 HydrophobicContact CG-CG1 4.09Å; F29-I40 HydrophobicContact CG-CG2 4.34Å; F29-I40 HydrophobicContact CZ-CG2 3.44Å; F29-I40 VanDerWaalsContact CZ-CG2 3.44Å; I40-L42 PolarHBondContact O-N 3.24Å; I40-L48 HydrophobicContact CB-CB 4.43Å; I40-L48 PolarHBondContact N-O 3Å; I40-L48 PolarHBondContact O-N 3.03Å
41Q48.8Very low48.6Very low124 Ų12482.3 Ų82.358%0.57945%0.452SS*.EExtended strand (participates in β ladder)trans-79.1122.6176-168.5174.80.300109.5W47Q41-W47 HydrophobicContact CB-CE3 4.47Å; Q41-W47 HydrophobicContact CB-CZ3 4.42Å
42L53.9Low48.7Very low19 Ų1983.6 Ų83.610%0.09947%0.466CS..PPolyproline II helixtrans-79.7158.1175.9-56.5173.9000109.9I40 D44 G45 G46 L48 W74I40-L42 PolarHBondContact O-N 3.24Å; L42-D44 PolarHBondContact O-N 3.43Å; L42-G45 PolarHBondContact O-N 2.99Å; L42-G46 WeakPolarHBondContact CB-O 3.25Å; L42-G46 PolarHBondContact N-O 3.07Å; L42-L48 HydrophobicContact CD1-CB 4.36Å; L42-L48 HydrophobicContact CD2-CB 4.19Å; L42-L48 HydrophobicContact CG-CB 4.29Å; L42-W74 HydrophobicContact CD1-CZ2 3.5Å; L42-W74 HydrophobicContact CD2-CH2 3.86Å; L42-W74 HydrophobicContact CD2-CZ2 3.27Å; L42-W74 HydrophobicContact CG-CZ2 3.93Å
43A44.1Very low49.1Very low110 Ų11080.4 Ų80.491%0.90946%0.455SS*.THydrogen-bonded Turntrans-57.5-23.1-177.700000113.9G45A43-G45 VanDerWaalsContact C-N 3.34Å
44D42.4Very low49.4Very low95 Ų9578.2 Ų78.251%0.50844%0.441SS..THydrogen-bonded Turntrans-87.70177.5-147.9-113.5000113.3L42L42-D44 PolarHBondContact O-N 3.43Å
45G46.5Very low49.7Very low35 Ų3578.8 Ų78.836%0.36144%0.442SS..SBendtrans860.5-17700000115.2L42 A43L42-G45 PolarHBondContact O-N 2.99Å; A43-G45 VanDerWaalsContact C-N 3.34Å
46G48.8Very low50Low27 Ų2767.6 Ų67.628%0.27840%0.399SS..  trans-69.8150.1170.700000112.5L42L42-G46 WeakPolarHBondContact CB-O 3.25Å; L42-G46 PolarHBondContact N-O 3.07Å
47W50.8Low50.1Low120 Ų12063.4 Ų63.446%0.45537%0.374SS..EExtended strand (participates in β ladder)trans-106.3112.6179.8-68.583000110.2K38 Q41 I49 C64K38-W47 HydrophobicContact CB-CZ3 4.12Å; K38-W47 HydrophobicContact CD-CH2 4.41Å; K38-W47 HydrophobicContact CG-CH2 4.46Å; K38-W47 HydrophobicContact CG-CZ3 4.14Å; K38-W47 VanDerWaalsContact O-CZ3 3.23Å; K38-W47 WeakPolarHBondContact O-CZ3 3.2Å; Q41-W47 HydrophobicContact CB-CE3 4.47Å; Q41-W47 HydrophobicContact CB-CZ3 4.42Å; W47-I49 PolarHBondContact O-N 3.34Å; W47-C64 PolarHBondContact O-SG 3.32Å; W47-C64 VanDerWaalsContact O-SG 3.4Å
48L53.8Low50.2Low7 Ų762.4 Ų62.44%0.03735%0.349CS..EExtended strand (participates in β ladder)trans-85.5106.5168.3-173.278.3000107.8G39 I40 L42 P50 A56 F61G39-L48 CarbonylContact C-O 3.39Å; G39-L48 WeakPolarHBondContact CA-O 3.46Å; I40-L48 HydrophobicContact CB-CB 4.43Å; I40-L48 PolarHBondContact N-O 3Å; I40-L48 PolarHBondContact O-N 3.03Å; L42-L48 HydrophobicContact CD1-CB 4.36Å; L42-L48 HydrophobicContact CD2-CB 4.19Å; L42-L48 HydrophobicContact CG-CB 4.29Å; L48-P50 WeakPolarHBondContact O-CD 3.45Å; L48-A56 HydrophobicContact CD2-CB 4.11Å; L48-F61 HydrophobicContact CD1-CD1 4.49Å; L48-F61 HydrophobicContact CD1-CD2 4.19Å; L48-F61 HydrophobicContact CD1-CE1 4.3Å; L48-F61 HydrophobicContact CD1-CE2 3.95Å; L48-F61 HydrophobicContact CD1-CG 4.47Å; L48-F61 HydrophobicContact CD1-CZ 4.04Å; L48-F61 HydrophobicContact CD2-CE2 4.4Å; L48-F61 HydrophobicContact CD2-CZ 4.18Å
49I54.3Low50.1Low118 Ų11863.7 Ų63.761%0.60536%0.357SS*.  trans-88.2105.6175.5-58.2169.7000106.8W47W47-I49 PolarHBondContact O-N 3.34Å
50P50Low49.9Very low26 Ų2664.8 Ų64.817%0.16936%0.359CS..  trans-68.8147.3174.431.2-32.8000109.1L48L48-P50 WeakPolarHBondContact O-CD 3.45Å
51S51.8Low49.6Very low58 Ų5866.6 Ų66.641%0.40637%0.366SS..  trans-62158176.4-79.70000109.5D53 G54 K55 E60S51-D53 PolarHBondContact O-N 3.43Å; S51-G54 PolarHBondContact O-N 3.36Å; S51-K55 PolarHBondContact N-O 2.83Å; S51-E60 VanDerWaalsContact CA-OE1 3.29Å; S51-E60 WeakPolarHBondContact CA-OE1 3.45Å; S51-E60 WeakPolarHBondContact CB-OE1 3.4Å; S51-E60 PolarHBondContact N-OE1 3.02Å; S51-E60 PolarHBondContact OG-OE1 3.02Å
52N48.9Very low49.5Very low178 Ų17865.8 Ų65.895%0.95236%0.359SS*.THydrogen-bonded Turntrans-55.7-13.4179.1-164.279000113.8
53D53.1Low49Very low107 Ų10770.1 Ų70.157%0.57239%0.39SS*.THydrogen-bonded Turntrans-87.64174.3-131.2-113.2000113.9S51 K55S51-D53 PolarHBondContact O-N 3.43Å; D53-K55 HydrophobicContact CB-CD 4.4Å; D53-K55 PolarHBondContact O-N 2.92Å; D53-K55 WeakPolarHBondContact OD1-CE 3.29Å; D53-K55 IonicContact OD1-NZ 2.72Å; D53-K55 PolarHBondContact OD1-NZ 3.03Å
54G50.5Low48.9Very low7 Ų766.3 Ų66.37%0.07236%0.357CS..SBendtrans68.614.3-178.200000113.9T25 S51T25-G54 WeakPolarHBondContact CB-O 3.29Å; T25-G54 PolarHBondContact N-O 3.43Å; T25-G54 VanDerWaalsContact OG1-C 3.31Å; T25-G54 PolarHBondContact OG1-O 3.19Å; S51-G54 PolarHBondContact O-N 3.36Å
55K50.7Low48.8Very low55 Ų5564 Ų6424%0.23935%0.348CS..EExtended strand (participates in β ladder)trans-107.7138.1179.4-67.1168.6-170.9152.70108.9Q22 F23 H24 S51 D53Q22-K55 HydrophobicContact CB-CB 4.4Å; F23-K55 WeakPolarHBondContact O-CA 3.49Å; H24-K55 WeakPolarHBondContact CE1-CE 2.99Å; S51-K55 PolarHBondContact N-O 2.83Å; D53-K55 HydrophobicContact CB-CD 4.4Å; D53-K55 PolarHBondContact O-N 2.92Å; D53-K55 WeakPolarHBondContact OD1-CE 3.29Å; D53-K55 IonicContact OD1-NZ 2.72Å; D53-K55 PolarHBondContact OD1-NZ 3.03Å
56A51.1Low48.4Very low1 Ų165.7 Ų65.71%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-115.1128.3168.400000108Q22 F23 L48 E60 F61Q22-A56 WeakPolarHBondContact CA-O 3.36Å; F23-A56 HydrophobicContact CD2-CB 4.19Å; F23-A56 WeakPolarHBondContact CD2-O 3.39Å; F23-A56 WeakPolarHBondContact CE2-O 3.07Å; F23-A56 PolarHBondContact N-O 3.3Å; F23-A56 PolarHBondContact O-N 2.89Å; L48-A56 HydrophobicContact CD2-CB 4.11Å; A56-E60 WeakPolarHBondContact CA-OE2 3.47Å; A56-F61 HydrophobicContact CB-CE2 3.81Å
57G48.3Very low47.8Very low3 Ų369.5 Ų69.53%0.03138%0.379CS..  trans-135.3176.7-177.100000113E59 E60 F61G57-E59 PolarHBondContact O-N 3.33Å; G57-E60 PolarHBondContact N-OE2 3.07Å; G57-E60 PolarHBondContact O-N 3.43Å; G57-F61 VanDerWaalsContact O-CD2 3.29Å; G57-F61 WeakPolarHBondContact O-CD2 3.34Å; G57-F61 PolarHBondContact O-N 3.27Å
58K50.1Low47.2Very low55 Ų5569.4 Ų69.424%0.23940%0.395CS..Hα-helixtrans-40.5-42.2-176.2178.3172.7177.5-1770114.4E19 F61 Y62E19-K58 HydrophobicContact CG-CD 3.92Å; E19-K58 IonicContact OE2-NZ 2.71Å; E19-K58 PolarHBondContact OE2-NZ 2.7Å; K58-F61 PolarHBondContact O-N 3.28Å; K58-Y62 HydrophobicContact CD-CE2 3.9Å; K58-Y62 WeakPolarHBondContact CE-OH 3.42Å; K58-Y62 HydrophobicContact CG-CD2 3.78Å; K58-Y62 HydrophobicContact CG-CE2 3.25Å; K58-Y62 WeakPolarHBondContact O-CD2 2.93Å; K58-Y62 PolarHBondContact O-N 3.37Å
59E46.3Very low46.3Very low170 Ų17073 Ų7379%0.79442%0.417SS*.Hα-helixtrans-70.1-36.7-179.5-73.1176.780.200114.7G57 F61 Y62 S63G57-E59 PolarHBondContact O-N 3.33Å; E59-F61 VanDerWaalsContact C-N 3.32Å; E59-Y62 PolarHBondContact O-N 3.26Å; E59-S63 PolarHBondContact O-N 2.68Å; E59-S63 VanDerWaalsContact O-N 3.17Å
60E48.7Very low46Very low36 Ų3668.5 Ų68.517%0.16840%0.395CS..Hα-helixtrans-74.7-30.5177.5-65.9153.1108.200111S51 A56 G57 S63 C64S51-E60 VanDerWaalsContact CA-OE1 3.29Å; S51-E60 WeakPolarHBondContact CA-OE1 3.45Å; S51-E60 WeakPolarHBondContact CB-OE1 3.4Å; S51-E60 PolarHBondContact N-OE1 3.02Å; S51-E60 PolarHBondContact OG-OE1 3.02Å; A56-E60 WeakPolarHBondContact CA-OE2 3.47Å; G57-E60 PolarHBondContact N-OE2 3.07Å; G57-E60 PolarHBondContact O-N 3.43Å; E60-S63 PolarHBondContact O-N 2.85Å; E60-C64 PolarHBondContact O-N 2.71Å; E60-C64 VanDerWaalsContact O-N 3.13Å
61F49.8Very low45.6Very low47 Ų4770 Ų7021%0.20640%0.402CS..Hα-helixtrans-69.5-40171.1-81.2-99.1000111.9F23 L48 A56 G57 K58 E59 S63 C64 S65 W74F23-F61 AromaticContact CD2-CE2 3.63Å; F23-F61 HydrophobicContact CD2-CE2 3.63Å; F23-F61 AromaticContact CD2-CZ 3.89Å; F23-F61 HydrophobicContact CD2-CZ 3.89Å; F23-F61 AromaticContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CD2 3.88Å; F23-F61 HydrophobicContact CE2-CE1 4.41Å; F23-F61 AromaticContact CE2-CE2 3.13Å; F23-F61 HydrophobicContact CE2-CE2 3.13Å; F23-F61 AromaticContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CE2-CZ 3.43Å; F23-F61 VanDerWaalsContact CE2-CZ 3.43Å; F23-F61 HydrophobicContact CZ-CE2 4.14Å; F23-F61 HydrophobicContact CZ-CZ 4.16Å; L48-F61 HydrophobicContact CD1-CD1 4.49Å; L48-F61 HydrophobicContact CD1-CD2 4.19Å; L48-F61 HydrophobicContact CD1-CE1 4.3Å; L48-F61 HydrophobicContact CD1-CE2 3.95Å; L48-F61 HydrophobicContact CD1-CG 4.47Å; L48-F61 HydrophobicContact CD1-CZ 4.04Å; L48-F61 HydrophobicContact CD2-CE2 4.4Å; L48-F61 HydrophobicContact CD2-CZ 4.18Å; A56-F61 HydrophobicContact CB-CE2 3.81Å; G57-F61 VanDerWaalsContact O-CD2 3.29Å; G57-F61 WeakPolarHBondContact O-CD2 3.34Å; G57-F61 PolarHBondContact O-N 3.27Å; K58-F61 PolarHBondContact O-N 3.28Å; E59-F61 VanDerWaalsContact C-N 3.32Å; F61-S63 VanDerWaalsContact C-N 3.27Å; F61-S63 PolarHBondContact O-N 3.34Å; F61-C64 PolarHBondContact O-N 2.85Å; F61-S65 WeakPolarHBondContact O-CB 3.18Å; F61-S65 PolarHBondContact O-N 3.41Å; F61-W74 AromaticContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CZ2 4.08Å; F61-W74 AromaticContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CZ-CH2 4.14Å; F61-W74 HydrophobicContact CZ-CZ3 4.5Å
62Y45.6Very low45.1Very low108 Ų10874 Ų7442%0.42441%0.414SS..Hα-helixtrans-61.1-36.5173.1-80.4-60.3000112.6K58 E59 S65K58-Y62 HydrophobicContact CD-CE2 3.9Å; K58-Y62 WeakPolarHBondContact CE-OH 3.42Å; K58-Y62 HydrophobicContact CG-CD2 3.78Å; K58-Y62 HydrophobicContact CG-CE2 3.25Å; K58-Y62 WeakPolarHBondContact O-CD2 2.93Å; K58-Y62 PolarHBondContact O-N 3.37Å; E59-Y62 PolarHBondContact O-N 3.26Å; Y62-S65 PolarHBondContact O-N 3.09Å
63S43.2Very low44.6Very low109 Ų10968.4 Ų68.476%0.76239%0.386SS*.Hα-helixtrans-70.7-31.6177.1-147.70000112.5E59 E60 F61E59-S63 PolarHBondContact O-N 2.68Å; E59-S63 VanDerWaalsContact O-N 3.17Å; E60-S63 PolarHBondContact O-N 2.85Å; F61-S63 VanDerWaalsContact C-N 3.27Å; F61-S63 PolarHBondContact O-N 3.34Å
64C41.3Very low44.3Very low31 Ų3166.8 Ų66.821%0.20937%0.372CS..Hα-helixtrans-82.1-25.6174.7-1560000113.1W47 E60 F61 G66W47-C64 PolarHBondContact O-SG 3.32Å; W47-C64 VanDerWaalsContact O-SG 3.4Å; E60-C64 PolarHBondContact O-N 2.71Å; E60-C64 VanDerWaalsContact O-N 3.13Å; F61-C64 PolarHBondContact O-N 2.85Å; C64-G66 PolarHBondContact O-N 2.8Å
65S41.4Very low44.1Very low47 Ų4769.1 Ų69.133%0.32938%0.382SS..  trans-79.935.5-176.7175.50000113.4F61 Y62 L67F61-S65 WeakPolarHBondContact O-CB 3.18Å; F61-S65 PolarHBondContact O-N 3.41Å; Y62-S65 PolarHBondContact O-N 3.09Å; S65-L67 PolarHBondContact O-N 3.19Å
66G38.9Very low43.7Very low69 Ų6970.8 Ų70.871%0.71139%0.39SS*.  trans-69.1-9.8174.100000114.3C64C64-G66 PolarHBondContact O-N 2.8Å
67L36.4Very low43.3Very low107 Ų10773.1 Ų73.156%0.5641%0.407SS*.  trans-125.3122.6-179.3-97.889.5000111.8S65 V69 T70S65-L67 PolarHBondContact O-N 3.19Å; L67-V69 HydrophobicContact CB-CG2 3.74Å; L67-V69 HydrophobicContact CD2-CG2 3.41Å; L67-V69 VanDerWaalsContact CD2-CG2 3.41Å; L67-V69 HydrophobicContact CG-CG2 4.11Å; L67-V69 PolarHBondContact O-N 3.48Å; L67-V69 VanDerWaalsContact O-N 3.07Å; L67-T70 WeakPolarHBondContact O-CB 3.47Å; L67-T70 PolarHBondContact O-N 2.62Å; L67-T70 PolarHBondContact O-OG1 3.29Å
68C37.7Very low43.3Very low119 Ų11974.7 Ų74.780%0.80441%0.414SS*.Hα-helixtrans-52.7-25172.8-171.70000113.6
69V34.8Very low43.1Very low83 Ų8372.8 Ų72.850%0.50341%0.406SS..Hα-helixtrans-73.3-29.8175.9-75.90000113.7L67 L71 Q72L67-V69 HydrophobicContact CB-CG2 3.74Å; L67-V69 HydrophobicContact CD2-CG2 3.41Å; L67-V69 VanDerWaalsContact CD2-CG2 3.41Å; L67-V69 HydrophobicContact CG-CG2 4.11Å; L67-V69 PolarHBondContact O-N 3.48Å; L67-V69 VanDerWaalsContact O-N 3.07Å; V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 2.82Å; V69-Q72 PolarHBondContact O-N 2.84Å
70T46.6Very low42.9Very low22 Ų2270.1 Ų70.114%0.13540%0.397CS..Hα-helixtrans-64.8-35.4-179.2-46.80000110.7L67 Q72 V73 W74L67-T70 WeakPolarHBondContact O-CB 3.47Å; L67-T70 PolarHBondContact O-N 2.62Å; L67-T70 PolarHBondContact O-OG1 3.29Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 2.92Å; T70-V73 PolarHBondContact O-N 3.04Å; T70-W74 WeakPolarHBondContact O-CB 3.42Å; T70-W74 PolarHBondContact O-N 2.77Å; T70-W74 VanDerWaalsContact O-N 3.07Å
71L43.1Very low42.6Very low59 Ų5974.9 Ų74.931%0.30942%0.419SS..Hα-helixtrans-61.1-38.1179.2-99.2155.2000113.9V69 I75 I88V69-L71 VanDerWaalsContact C-N 3.26Å; V69-L71 PolarHBondContact O-N 2.82Å; L71-I75 WeakPolarHBondContact O-CD1 3.49Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 3.44Å; L71-I88 HydrophobicContact CD1-CD1 4.15Å; L71-I88 HydrophobicContact CD2-CD1 3.14Å; L71-I88 HydrophobicContact CD2-CG1 4.14Å; L71-I88 HydrophobicContact CG-CD1 4.26Å
72Q40.3Very low42.5Very low141 Ų14176.2 Ų76.266%0.65943%0.425SS*.Hα-helixtrans-71.9-41.5-178.1-168170.1-45.200112.1V69 T70 W74 I75 Q76V69-Q72 PolarHBondContact O-N 2.84Å; T70-Q72 VanDerWaalsContact C-N 3.34Å; T70-Q72 PolarHBondContact O-N 2.92Å; Q72-W74 VanDerWaalsContact C-N 3.33Å; Q72-I75 PolarHBondContact O-N 2.8Å; Q72-Q76 PolarHBondContact O-N 3.04Å
73V38.4Very low42.4Very low60 Ų6072.4 Ų72.436%0.36442%0.418SS..Hα-helixtrans-68.3-35.1177.8-175.30000111T70 Q76 S77T70-V73 PolarHBondContact O-N 3.04Å; V73-Q76 PolarHBondContact O-N 3.21Å; V73-S77 PolarHBondContact O-N 2.96Å
74W46.8Very low42.4Very low74 Ų7469.2 Ų69.228%0.2839%0.391SS..Hα-helixtrans-71.5-40.2176.8-89.381000113.5L42 F61 T70 Q72 Q76 S77 L78L42-W74 HydrophobicContact CD1-CZ2 3.5Å; L42-W74 HydrophobicContact CD2-CH2 3.86Å; L42-W74 HydrophobicContact CD2-CZ2 3.27Å; L42-W74 HydrophobicContact CG-CZ2 3.93Å; F61-W74 AromaticContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CH2 3.65Å; F61-W74 HydrophobicContact CE1-CZ2 4.08Å; F61-W74 AromaticContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CE1-CZ3 3.92Å; F61-W74 HydrophobicContact CZ-CH2 4.14Å; F61-W74 HydrophobicContact CZ-CZ3 4.5Å; T70-W74 WeakPolarHBondContact O-CB 3.42Å; T70-W74 PolarHBondContact O-N 2.77Å; T70-W74 VanDerWaalsContact O-N 3.07Å; Q72-W74 VanDerWaalsContact C-N 3.33Å; W74-Q76 PolarHBondContact O-N 3.13Å; W74-S77 PolarHBondContact O-N 3.4Å; W74-L78 HydrophobicContact CE3-CD1 4.3Å; W74-L78 VanDerWaalsContact O-CB 3.29Å; W74-L78 WeakPolarHBondContact O-CB 3.33Å; W74-L78 PolarHBondContact O-N 3.2Å
75I47.5Very low42.6Very low55 Ų5569.4 Ų69.428%0.28239%0.389SS..Hα-helixtrans-59.3-38.9174.1-68.1163.9000109.8L71 Q72 F79 I85L71-I75 WeakPolarHBondContact O-CD1 3.49Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.38Å; L71-I75 PolarHBondContact O-N 3.44Å; Q72-I75 PolarHBondContact O-N 2.8Å; I75-F79 WeakPolarHBondContact O-CB 3.29Å; I75-F79 PolarHBondContact O-N 3.45Å; I75-I85 HydrophobicContact CG2-CG2 4.01Å
76Q41.2Very low42.9Very low90 Ų9069.1 Ų69.142%0.42138%0.384SS..Hα-helixtrans-67.2-44.2174.3-79.7-176.2-94.200113.1Q72 V73 W74 F79 L80 L107Q72-Q76 PolarHBondContact O-N 3.04Å; V73-Q76 PolarHBondContact O-N 3.21Å; W74-Q76 PolarHBondContact O-N 3.13Å; Q76-F79 WeakPolarHBondContact O-CB 3Å; Q76-F79 PolarHBondContact O-N 3.39Å; Q76-L80 WeakPolarHBondContact O-CB 2.98Å; Q76-L80 PolarHBondContact O-N 3.17Å; Q76-L107 HydrophobicContact CG-CD2 4.31Å
77S42.9Very low42.9Very low50 Ų5069.1 Ų69.135%0.3537%0.37SS..Hα-helixtrans-66.2-41.8179.3-144.70000111.8V73 W74 F79 L80 E81V73-S77 PolarHBondContact O-N 2.96Å; W74-S77 PolarHBondContact O-N 3.4Å; S77-F79 VanDerWaalsContact C-N 3.3Å; S77-F79 PolarHBondContact O-N 3.49Å; S77-L80 PolarHBondContact O-N 2.97Å; S77-E81 PolarHBondContact O-N 2.75Å
78L47.9Very low43.1Very low36 Ų3667.1 Ų67.119%0.18836%0.359CS..Hα-helixtrans-66.5-35.6176.4-137.5103.5000111.6W74 F82 G83 I86W74-L78 HydrophobicContact CE3-CD1 4.3Å; W74-L78 VanDerWaalsContact O-CB 3.29Å; W74-L78 WeakPolarHBondContact O-CB 3.33Å; W74-L78 PolarHBondContact O-N 3.2Å; L78-F82 HydrophobicContact CG-CD2 4.11Å; L78-F82 WeakPolarHBondContact O-CA 3.23Å; L78-F82 VanDerWaalsContact O-CB 3.29Å; L78-F82 WeakPolarHBondContact O-CB 3.14Å; L78-F82 PolarHBondContact O-N 3.44Å; L78-G83 PolarHBondContact O-N 2.73Å; L78-I86 HydrophobicContact CD2-CD1 3.43Å; L78-I86 VanDerWaalsContact CD2-CD1 3.43Å; L78-I86 HydrophobicContact CD2-CG1 3.7Å
79F45.9Very low42.8Very low15 Ų1566.6 Ų66.67%0.06635%0.348CS..Hα-helixtrans-67.5-41.7174.6178.7-102.2000112.2I75 Q76 S77 G83 F84 I85 L103 L107I75-F79 WeakPolarHBondContact O-CB 3.29Å; I75-F79 PolarHBondContact O-N 3.45Å; Q76-F79 WeakPolarHBondContact O-CB 3Å; Q76-F79 PolarHBondContact O-N 3.39Å; S77-F79 VanDerWaalsContact C-N 3.3Å; S77-F79 PolarHBondContact O-N 3.49Å; F79-G83 VanDerWaalsContact O-CA 3.23Å; F79-G83 WeakPolarHBondContact O-CA 3.42Å; F79-G83 PolarHBondContact O-N 2.95Å; F79-F84 WeakPolarHBondContact CA-O 3.13Å; F79-F84 PolarHBondContact N-O 3.22Å; F79-I85 HydrophobicContact CD2-CD1 4Å; F79-I85 HydrophobicContact CD2-CG1 3.52Å; F79-I85 HydrophobicContact CE2-CD1 4.14Å; F79-I85 HydrophobicContact CE2-CG1 4.07Å; F79-I85 HydrophobicContact CG-CG1 4.4Å; F79-L103 HydrophobicContact CE2-CB 3.53Å; F79-L103 HydrophobicContact CZ-CB 3.54Å; F79-L107 HydrophobicContact CD1-CD1 4.29Å; F79-L107 HydrophobicContact CE1-CB 4.1Å; F79-L107 HydrophobicContact CE1-CD1 4.08Å
80L42.5Very low42.7Very low114 Ų11466 Ų6660%0.59736%0.36SS*.Hα-helixtrans-71.2-45.8-179.2-92.4149.1000113Q76 S77Q76-L80 WeakPolarHBondContact O-CB 2.98Å; Q76-L80 PolarHBondContact O-N 3.17Å; S77-L80 PolarHBondContact O-N 2.97Å
81E43.1Very low41.9Very low137 Ų13768.7 Ų68.764%0.6438%0.379SS*.Hα-helixtrans-83.2-34.6-177.5-80.2179.97500113S77S77-E81 PolarHBondContact O-N 2.75Å
82F47.9Very low41.6Very low74 Ų7477.1 Ų77.133%0.32541%0.408SS..Hα-helixtrans-118.5-12.8-170.6-54.5-85.2000114.3Y28 L78 F84Y28-F82 HydrophobicContact CD1-CZ 4.32Å; Y28-F82 AromaticContact CE1-CE1 3.74Å; Y28-F82 HydrophobicContact CE1-CE1 3.74Å; Y28-F82 AromaticContact CE1-CZ 3.87Å; Y28-F82 HydrophobicContact CE1-CZ 3.87Å; L78-F82 HydrophobicContact CG-CD2 4.11Å; L78-F82 WeakPolarHBondContact O-CA 3.23Å; L78-F82 VanDerWaalsContact O-CB 3.29Å; L78-F82 WeakPolarHBondContact O-CB 3.14Å; L78-F82 PolarHBondContact O-N 3.44Å; F82-F84 VanDerWaalsContact C-N 3.27Å; F82-F84 HydrophobicContact CB-CD2 3.71Å; F82-F84 HydrophobicContact CB-CE2 4.25Å; F82-F84 WeakPolarHBondContact O-CD2 3.16Å; F82-F84 WeakPolarHBondContact O-CE2 3.29Å; F82-F84 PolarHBondContact O-N 3.42Å
83G43.1Very low41.3Very low28 Ų2871.8 Ų71.829%0.28939%0.392SS..  trans72.117.8179.500000114.5L78 F79 V100L78-G83 PolarHBondContact O-N 2.73Å; F79-G83 VanDerWaalsContact O-CA 3.23Å; F79-G83 WeakPolarHBondContact O-CA 3.42Å; F79-G83 PolarHBondContact O-N 2.95Å; G83-V100 PolarHBondContact O-N 3.19Å
84F43.7Very low41Very low42 Ų4273.1 Ų73.118%0.18440%0.397CS..EExtended strand (participates in β ladder)trans-113.2141.5178.1-59.8-82.9000110.7F79 F82 L97 N99F79-F84 WeakPolarHBondContact CA-O 3.13Å; F79-F84 PolarHBondContact N-O 3.22Å; F82-F84 VanDerWaalsContact C-N 3.27Å; F82-F84 HydrophobicContact CB-CD2 3.71Å; F82-F84 HydrophobicContact CB-CE2 4.25Å; F82-F84 WeakPolarHBondContact O-CD2 3.16Å; F82-F84 WeakPolarHBondContact O-CE2 3.29Å; F82-F84 PolarHBondContact O-N 3.42Å; F84-L97 HydrophobicContact CB-CD1 3.66Å; F84-L97 HydrophobicContact CB-CG 4.33Å; F84-L97 HydrophobicContact CD1-CD1 4.08Å; F84-L97 HydrophobicContact CD1-CD2 4.01Å; F84-L97 HydrophobicContact CD1-CG 3.86Å; F84-L97 HydrophobicContact CE1-CD2 4.28Å; F84-L97 HydrophobicContact CG-CD1 3.98Å; F84-L97 HydrophobicContact CG-CD2 4.49Å; F84-L97 HydrophobicContact CG-CG 4.27Å; F84-N99 HydrophobicContact CD1-CB 4.2Å; F84-N99 HydrophobicContact CE1-CB 3.85Å
85I43.7Very low40.7Very low35 Ų3573.4 Ų73.418%0.17940%0.398CS..EExtended strand (participates in β ladder)trans-104123.5167.1-59.1-175.6000107I75 F79 W98 V100 L103I75-I85 HydrophobicContact CG2-CG2 4.01Å; F79-I85 HydrophobicContact CD2-CD1 4Å; F79-I85 HydrophobicContact CD2-CG1 3.52Å; F79-I85 HydrophobicContact CE2-CD1 4.14Å; F79-I85 HydrophobicContact CE2-CG1 4.07Å; F79-I85 HydrophobicContact CG-CG1 4.4Å; I85-W98 PolarHBondContact N-O 2.79Å; I85-W98 PolarHBondContact O-N 2.62Å; I85-W98 VanDerWaalsContact O-N 3.17Å; I85-V100 HydrophobicContact CD1-CG2 4.37Å; I85-V100 HydrophobicContact CG1-CG2 4.27Å; I85-L103 HydrophobicContact CD1-CD1 3.56Å
86I47.6Very low40.2Very low42 Ų4274.5 Ų74.522%0.21540%0.402CS..EExtended strand (participates in β ladder)trans-92.4104.8166.7-61.7178.8000106.3L78 I88 W95 L97L78-I86 HydrophobicContact CD2-CD1 3.43Å; L78-I86 VanDerWaalsContact CD2-CD1 3.43Å; L78-I86 HydrophobicContact CD2-CG1 3.7Å; I86-I88 HydrophobicContact CG2-CG1 4.43Å; I86-W95 HydrophobicContact CG2-CE3 3.55Å; I86-W95 HydrophobicContact CG2-CZ3 3.95Å; I86-L97 HydrophobicContact CG1-CD1 3.94Å
87T39.6Very low40.2Very low69 Ų6974.3 Ų74.342%0.42340%0.403SS..EExtended strand (participates in β ladder)trans-88.3123.2170.42.70000108.4Q96T87-Q96 PolarHBondContact N-O 2.84Å
88I41.3Very low39.9Very low64 Ų6479.7 Ų79.733%0.32842%0.416SS..EExtended strand (participates in β ladder)trans-96.2102.2170.6-38.8-165.2000106.2L71 I86 W95L71-I88 HydrophobicContact CD1-CD1 4.15Å; L71-I88 HydrophobicContact CD2-CD1 3.14Å; L71-I88 HydrophobicContact CD2-CG1 4.14Å; L71-I88 HydrophobicContact CG-CD1 4.26Å; I86-I88 HydrophobicContact CG2-CG1 4.43Å; I88-W95 HydrophobicContact CD1-CH2 4.19Å; I88-W95 HydrophobicContact CD1-CZ3 4.16Å
89D30.3Very low39.4Very low108 Ų10883.4 Ų83.458%0.57844%0.436SS*.  trans-66.3134.4164.8-170.5-100.1000107.1S91D89-S91 CarbonylContact O-C 3.51Å; D89-S91 PolarHBondContact O-N 2.72Å
90G32.9Very low39.3Very low72 Ų7284.2 Ų84.274%0.74244%0.442SS*.SBendtrans-59.89.9-170.200000116.6
91S30.1Very low39.2Very low78 Ų7884.6 Ų84.655%0.54545%0.451SS..SBendtrans-90106.2163.1-67.10000110.2D89 G93 N94D89-S91 CarbonylContact O-C 3.51Å; D89-S91 PolarHBondContact O-N 2.72Å; S91-G93 VanDerWaalsContact C-N 3.29Å; S91-G93 PolarHBondContact O-N 3.49Å; S91-N94 PolarHBondContact O-N 3.4Å
92Y35.9Very low38.8Very low235 Ų23586.8 Ų86.892%0.92246%0.459SS*.THydrogen-bonded Turntrans-39.675174.3-63.2-94.5000115.3
93G34.3Very low38.2Very low30 Ų3085.4 Ų85.431%0.30946%0.455SS..THydrogen-bonded Turntrans156.5-13.6175.100000117.2S91S91-G93 VanDerWaalsContact C-N 3.29Å; S91-G93 PolarHBondContact O-N 3.49Å
94N32.8Very low38Very low88 Ų8891.5 Ų91.547%0.47147%0.469SS..  trans-103.298.2-174.2-153.3-4.6000112.4S91 Q96S91-N94 PolarHBondContact O-N 3.4Å; N94-Q96 PolarHBondContact OD1-NE2 2.59Å
95W41.3Very low37.3Very low79 Ų7996.5 Ų96.530%0.29950%0.498SS..EExtended strand (participates in β ladder)trans-93.1113.6179.2-60.474.2000109.3I86 I88I86-W95 HydrophobicContact CG2-CE3 3.55Å; I86-W95 HydrophobicContact CG2-CZ3 3.95Å; I88-W95 HydrophobicContact CD1-CH2 4.19Å; I88-W95 HydrophobicContact CD1-CZ3 4.16Å
96Q36Very low36.8Very low79 Ų79101 Ų10137%0.36952%0.521SS..EExtended strand (participates in β ladder)trans-108.6117.3177.5-61.2-66.2-36.100109.2T87 N94T87-Q96 PolarHBondContact N-O 2.84Å; N94-Q96 PolarHBondContact OD1-NE2 2.59Å
97L41Very low36Very low86 Ų86102.5 Ų102.545%0.4553%0.53SS..EExtended strand (participates in β ladder)trans-93.5107.9177.6-171.475.9000109F84 I86F84-L97 HydrophobicContact CB-CD1 3.66Å; F84-L97 HydrophobicContact CB-CG 4.33Å; F84-L97 HydrophobicContact CD1-CD1 4.08Å; F84-L97 HydrophobicContact CD1-CD2 4.01Å; F84-L97 HydrophobicContact CD1-CG 3.86Å; F84-L97 HydrophobicContact CE1-CD2 4.28Å; F84-L97 HydrophobicContact CG-CD1 3.98Å; F84-L97 HydrophobicContact CG-CD2 4.49Å; F84-L97 HydrophobicContact CG-CG 4.27Å; I86-L97 HydrophobicContact CG1-CD1 3.94Å
98W37.9Very low35.7Very low162 Ų162106.1 Ų106.161%0.61455%0.545SS*.EExtended strand (participates in β ladder)trans-93.2118.9175-69.484.6000109.7I85 V100I85-W98 PolarHBondContact N-O 2.79Å; I85-W98 PolarHBondContact O-N 2.62Å; I85-W98 VanDerWaalsContact O-N 3.17Å; W98-V100 HydrophobicContact CB-CG2 3.99Å; W98-V100 PolarHBondContact O-N 2.87Å
99N37.2Very low34.9Very low115 Ų115110.5 Ų110.562%0.61557%0.569SS**EExtended strand (participates in β ladder)trans-77105.6168.5-170.2-30.9000107.4F84 P101F84-N99 HydrophobicContact CD1-CB 4.2Å; F84-N99 HydrophobicContact CE1-CB 3.85Å; N99-P101 WeakPolarHBondContact O-CD 3.45Å
100V42.9Very low34.8Very low31 Ų31112.5 Ų112.519%0.18860%0.601CS.*  trans-112.390.2-177.8-152.40000110.5G83 I85 W98 F102 L103G83-V100 PolarHBondContact O-N 3.19Å; I85-V100 HydrophobicContact CD1-CG2 4.37Å; I85-V100 HydrophobicContact CG1-CG2 4.27Å; W98-V100 HydrophobicContact CB-CG2 3.99Å; W98-V100 PolarHBondContact O-N 2.87Å; V100-F102 HydrophobicContact CG1-CB 4.21Å; V100-F102 PolarHBondContact O-N 3.21Å; V100-F102 VanDerWaalsContact O-N 3.12Å; V100-L103 HydrophobicContact CB-CB 4.22Å; V100-L103 HydrophobicContact CB-CD1 4.08Å; V100-L103 HydrophobicContact CG1-CB 3.76Å; V100-L103 HydrophobicContact CG1-CD1 3.47Å; V100-L103 VanDerWaalsContact CG1-CD1 3.47Å; V100-L103 HydrophobicContact CG1-CG 3.91Å; V100-L103 HydrophobicContact CG2-CD1 4.03Å
101P41.3Very low34.9Very low122 Ų122114.6 Ų114.679%0.79259%0.594SS**THydrogen-bonded Turntrans-69.3-2.4168.927.2-31.6000113.1N99N99-P101 WeakPolarHBondContact O-CD 3.45Å
102F34.3Very low35.2Very low183 Ų183116.5 Ų116.580%0.80360%0.596SS**THydrogen-bonded Turntrans-110.9-15.5-167.9-157.9-100.9000115.7V100V100-F102 HydrophobicContact CG1-CB 4.21Å; V100-F102 PolarHBondContact O-N 3.21Å; V100-F102 VanDerWaalsContact O-N 3.12Å
103L35.8Very low35.2Very low45 Ų45109.9 Ų109.924%0.23658%0.578CS.*G310 helixtrans-88.7-8.3-170.1-102.6147.7000114.8F79 I85 V100 N105 L106F79-L103 HydrophobicContact CE2-CB 3.53Å; F79-L103 HydrophobicContact CZ-CB 3.54Å; I85-L103 HydrophobicContact CD1-CD1 3.56Å; V100-L103 HydrophobicContact CB-CB 4.22Å; V100-L103 HydrophobicContact CB-CD1 4.08Å; V100-L103 HydrophobicContact CG1-CB 3.76Å; V100-L103 HydrophobicContact CG1-CD1 3.47Å; V100-L103 VanDerWaalsContact CG1-CD1 3.47Å; V100-L103 HydrophobicContact CG1-CG 3.91Å; V100-L103 HydrophobicContact CG2-CD1 4.03Å; L103-N105 PolarHBondContact O-N 3.35Å; L103-L106 HydrophobicContact CD2-CB 3.88Å; L103-L106 HydrophobicContact CD2-CD2 3.89Å; L103-L106 PolarHBondContact O-N 3.36Å
104R37.6Very low35.2Very low157 Ų157114.6 Ų114.659%0.59259%0.594SS**G310 helixtrans-61.5-19.9-176.4-144.7-151.4-81.9-89.26.3113.2
105N30.4Very low35.4Very low146 Ų146116.3 Ų116.378%0.78160%0.602SS**G310 helixtrans-90.4-16.7176.7-73.8-44.8000114.6L103L103-N105 PolarHBondContact O-N 3.35Å
106L31.4Very low35Very low129 Ų129118.7 Ų118.768%0.67562%0.622SS**THydrogen-bonded Turntrans-91.9-18.8-173.9-155.174000113.1L103L103-L106 HydrophobicContact CD2-CB 3.88Å; L103-L106 HydrophobicContact CD2-CD2 3.89Å; L103-L106 PolarHBondContact O-N 3.36Å
107L32.5Very low34.9Very low75 Ų75121.6 Ų121.639%0.39364%0.64SS.*SBendtrans-96.6-1.2-176.8-129.7122.3000113.9Q76 F79Q76-L107 HydrophobicContact CG-CD2 4.31Å; F79-L107 HydrophobicContact CD1-CD1 4.29Å; F79-L107 HydrophobicContact CE1-CB 4.1Å; F79-L107 HydrophobicContact CE1-CD1 4.08Å
108I33.1Very low34.4Very low145 Ų145124.3 Ų124.374%0.74466%0.655SS**SBendtrans-97-10.5175.6-61.6-178.8000111.3
109D25Very low34.1Very low155 Ų155121.2 Ų121.283%0.82966%0.658SS**  trans-112.915.5-176.9-154.9-117.6000114
110A28.2Very low33.8Very low151 Ų151121.7 Ų121.7100%1.24866%0.662SS**  trans-122.6017900000112.4

Retrieved 110 of 110 residues in 26.2 ms (Link to these results)