A0A5K4F780_SCHMA Loading...

Helicase ATP-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F780, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 139 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
1M37.7Very low48Very low243 Ų243140.8 Ų140.8100%1.19774%0.741SS**  0123.80-71.5-151.4-100.900107.3
2E37.6Very low48.7Very low193 Ų193132.7 Ų132.790%0.90270%0.701SS**  trans45.390.7174.1-66.6-176.9159.400118.1K4E2-K4 PolarHBondContact O-N 3.12Å
3G42Very low49.3Very low73 Ų73128.2 Ų128.275%0.75369%0.685SS**  trans-70.6110.7157.300000109.4V5G3-V5 PolarHBondContact O-N 3.17Å
4K45.5Very low49.9Very low186 Ų186130.6 Ų130.681%0.80970%0.696SS**  trans-62.4100.2163-80.3-179.3176.8177.70107.7E2 D6E2-K4 PolarHBondContact O-N 3.12Å; K4-D6 VanDerWaalsContact C-N 3.27Å; K4-D6 PolarHBondContact O-N 3.17Å
5V52.1Low51Low117 Ų117129.1 Ų129.171%0.70970%0.698SS**  trans-71.194.7163.4179.60000105.6G3 K7G3-V5 PolarHBondContact O-N 3.17Å; V5-K7 HydrophobicContact CG1-CG 3.93Å; V5-K7 PolarHBondContact O-N 2.93Å
6D50.8Low52.5Low127 Ų127123.8 Ų123.868%0.67967%0.669SS**  trans-63.290.5166.5-71.7-30.1000107K4 I8K4-D6 VanDerWaalsContact C-N 3.27Å; K4-D6 PolarHBondContact O-N 3.17Å; D6-I8 HydrophobicContact CB-CD1 4.49Å; D6-I8 HydrophobicContact CB-CG1 4.33Å; D6-I8 PolarHBondContact O-N 3.5Å
7K52.6Low54.2Low144 Ų144129 Ų12963%0.62668%0.679SS**  trans-68.280.9173.3-70.3-169.2178.3-172.20108.3V5 G9 V12V5-K7 HydrophobicContact CG1-CG 3.93Å; V5-K7 PolarHBondContact O-N 2.93Å; K7-G9 VanDerWaalsContact C-N 3.3Å; K7-G9 PolarHBondContact O-N 3.15Å; K7-G9 VanDerWaalsContact O-N 3.1Å; K7-V12 HydrophobicContact CB-CG2 3.88Å; K7-V12 WeakPolarHBondContact O-CG2 3.49Å
8I47.7Very low55.8Low161 Ų161127.1 Ų127.183%0.82667%0.673SS**  trans-8186.3168.7-57.5167.2000105.8D6D6-I8 HydrophobicContact CB-CD1 4.49Å; D6-I8 HydrophobicContact CB-CG1 4.33Å; D6-I8 PolarHBondContact O-N 3.5Å
9G52.3Low57.1Low29 Ų29120.5 Ų120.530%0.29964%0.639SS.*SBendtrans-150.8167.1179.300000111.1K7 E11 V12 N16K7-G9 VanDerWaalsContact C-N 3.3Å; K7-G9 PolarHBondContact O-N 3.15Å; K7-G9 VanDerWaalsContact O-N 3.1Å; G9-E11 PolarHBondContact O-N 3.08Å; G9-V12 PolarHBondContact O-N 3.01Å; G9-N16 PolarHBondContact O-ND2 3.4Å
10L52.3Low58.4Low113 Ų113117 Ų11759%0.59262%0.624SS**THydrogen-bonded Turntrans-57.8-11.3174.9-83.2153.2000113.5V18 A19L10-V18 HydrophobicContact CD2-CG1 4.34Å; L10-A19 HydrophobicContact CD2-CB 4.29Å; L10-A19 WeakPolarHBondContact O-CB 3.43Å
11E57.7Low59.9Low163 Ų163114.7 Ų114.776%0.76261%0.612SS**THydrogen-bonded Turntrans-87.6-5-173.6-57.1-175.4178.800114.5G9 P13G9-E11 PolarHBondContact O-N 3.08Å; E11-P13 WeakPolarHBondContact O-CD 3.25Å
12V56.5Low62.3Low43 Ų43108.4 Ų108.426%0.26158%0.578SS.*  trans-10399.3177.6-171.70000109.7K7 G9 L14 C15K7-V12 HydrophobicContact CB-CG2 3.88Å; K7-V12 WeakPolarHBondContact O-CG2 3.49Å; G9-V12 PolarHBondContact O-N 3.01Å; V12-L14 PolarHBondContact O-N 3.44Å; V12-C15 HydrophobicContact CG1-CB 3.99Å; V12-C15 PolarHBondContact O-N 2.92Å
13P56.6Low64.7Low75 Ų75102.7 Ų102.749%0.48755%0.553SS.*THydrogen-bonded Turntrans-65.2-19-163.6-21.633.4000115.4E11 S20 I23E11-P13 WeakPolarHBondContact O-CD 3.25Å; P13-S20 PolarHBondContact O-OG 3.1Å; P13-S20 VanDerWaalsContact O-OG 3.04Å; P13-I23 HydrophobicContact CB-CD1 3.94Å
14L57.8Low67.1Low161 Ų161107.1 Ų107.184%0.84355%0.547SS*.THydrogen-bonded Turntrans-113-9.4-169.1-79.3145000114.3V12V12-L14 PolarHBondContact O-N 3.44Å
15C65.5Low69.4Low108 Ų108104.7 Ų104.773%0.7353%0.533SS*.THydrogen-bonded Turntrans-114.4-10.3-175.5-62.90000114V12V12-C15 HydrophobicContact CG1-CB 3.99Å; V12-C15 PolarHBondContact O-N 2.92Å
16N75.5Confident71.5Confident44 Ų44102.3 Ų102.324%0.23552%0.516CS..  trans-118.9108.1-177.3-177.6-8.5000110.5G9 V18 A19 S20G9-N16 PolarHBondContact O-ND2 3.4Å; N16-V18 PolarHBondContact O-N 3.1Å; N16-V18 VanDerWaalsContact O-N 3.12Å; N16-V18 WeakPolarHBondContact OD1-CB 3.49Å; N16-V18 PolarHBondContact OD1-N 3.2Å; N16-V18 VanDerWaalsContact OD1-N 3.08Å; N16-A19 HydrophobicContact CB-CB 3.93Å; N16-A19 WeakPolarHBondContact O-CA 3.38Å; N16-A19 WeakPolarHBondContact O-CB 3.28Å; N16-A19 PolarHBondContact O-N 3.15Å; N16-S20 PolarHBondContact O-N 2.74Å; N16-S20 PolarHBondContact O-OG 3.32Å
17Y81.6Confident73.6Confident213 Ų213100.3 Ų100.384%0.83551%0.505SS*.Hα-helixtrans-52.8-34.6-179.7-64.5-76.6000113.3D21Y17-D21 WeakPolarHBondContact O-CB 3.41Å; Y17-D21 PolarHBondContact O-N 3.45Å
18V82.4Confident75.7Confident94 Ų9496.1 Ų96.157%0.5749%0.494SS*.Hα-helixtrans-70.7-38.4178.1-178.20000111.4L10 N16 K22L10-V18 HydrophobicContact CD2-CG1 4.34Å; N16-V18 PolarHBondContact O-N 3.1Å; N16-V18 VanDerWaalsContact O-N 3.12Å; N16-V18 WeakPolarHBondContact OD1-CB 3.49Å; N16-V18 PolarHBondContact OD1-N 3.2Å; N16-V18 VanDerWaalsContact OD1-N 3.08Å; V18-K22 PolarHBondContact O-N 2.87Å
19A80.7Confident78.1Confident3 Ų393.9 Ų93.93%0.02548%0.482CS..Hα-helixtrans-66.6-43.5175.700000110.8L10 N16 K22 I23L10-A19 HydrophobicContact CD2-CB 4.29Å; L10-A19 WeakPolarHBondContact O-CB 3.43Å; N16-A19 HydrophobicContact CB-CB 3.93Å; N16-A19 WeakPolarHBondContact O-CA 3.38Å; N16-A19 WeakPolarHBondContact O-CB 3.28Å; N16-A19 PolarHBondContact O-N 3.15Å; A19-K22 PolarHBondContact O-N 3.12Å; A19-I23 WeakPolarHBondContact O-CG1 3.34Å; A19-I23 PolarHBondContact O-N 3.36Å
20S84.2Confident80.2Confident50 Ų5098.7 Ų98.735%0.3550%0.495SS..Hα-helixtrans-62-43.6177.1-51.30000111.9P13 N16 K22 I23 W24P13-S20 PolarHBondContact O-OG 3.1Å; P13-S20 VanDerWaalsContact O-OG 3.04Å; N16-S20 PolarHBondContact O-N 2.74Å; N16-S20 PolarHBondContact O-OG 3.32Å; S20-K22 PolarHBondContact O-N 3.16Å; S20-I23 PolarHBondContact O-N 2.92Å; S20-W24 WeakPolarHBondContact O-CB 3.24Å; S20-W24 PolarHBondContact O-N 3.08Å
21D88.5Confident82.3Confident69 Ų69100.3 Ų100.337%0.36950%0.499SS..Hα-helixtrans-61.5-41.9175.5178.771000112.2Y17 W24 R25Y17-D21 WeakPolarHBondContact O-CB 3.41Å; Y17-D21 PolarHBondContact O-N 3.45Å; D21-W24 PolarHBondContact O-N 2.87Å; D21-R25 PolarHBondContact O-N 2.98Å; D21-R25 IonicContact OD2-CZ 3.24Å; D21-R25 VanDerWaalsContact OD2-CZ 3.24Å; D21-R25 IonicContact OD2-NE 2.89Å; D21-R25 PolarHBondContact OD2-NE 3.39Å; D21-R25 IonicContact OD2-NH2 2.76Å; D21-R25 PolarHBondContact OD2-NH2 3.44Å
22K88.5Confident84.2Confident110 Ų11094.8 Ų94.848%0.47848%0.482SS..Hα-helixtrans-63.9-45.7177-173.7176179.5178.90112.1V18 A19 S20 W24 R25 D26V18-K22 PolarHBondContact O-N 2.87Å; A19-K22 PolarHBondContact O-N 3.12Å; S20-K22 PolarHBondContact O-N 3.16Å; K22-W24 VanDerWaalsContact C-N 3.29Å; K22-W24 PolarHBondContact O-N 3.49Å; K22-R25 PolarHBondContact O-N 3.04Å; K22-D26 WeakPolarHBondContact O-CB 3.44Å; K22-D26 PolarHBondContact O-N 3.27Å
23I88.5Confident86.1Confident74 Ų7496 Ų9638%0.37949%0.492SS..Hα-helixtrans-59.3-43.8176.9-68.9164.9000110.5P13 A19 S20 D26 N27P13-I23 HydrophobicContact CB-CD1 3.94Å; A19-I23 WeakPolarHBondContact O-CG1 3.34Å; A19-I23 PolarHBondContact O-N 3.36Å; S20-I23 PolarHBondContact O-N 2.92Å; I23-D26 PolarHBondContact O-N 3.35Å; I23-N27 WeakPolarHBondContact O-CB 3.12Å; I23-N27 VanDerWaalsContact O-CG 3.32Å; I23-N27 PolarHBondContact O-N 2.76Å
24W91.2Very high88Confident165 Ų16595.2 Ų95.263%0.62549%0.492SS*.Hα-helixtrans-60.2-48.9176.9176.278.9000111.3S20 D21 K22 D26 N27 C28S20-W24 WeakPolarHBondContact O-CB 3.24Å; S20-W24 PolarHBondContact O-N 3.08Å; D21-W24 PolarHBondContact O-N 2.87Å; K22-W24 VanDerWaalsContact C-N 3.29Å; K22-W24 PolarHBondContact O-N 3.49Å; W24-D26 PolarHBondContact O-N 3.04Å; W24-N27 PolarHBondContact O-N 2.78Å; W24-C28 VanDerWaalsContact CE2-SG 3.55Å; W24-C28 PolarHBondContact O-N 3.18Å; W24-C28 PolarHBondContact O-SG 3.09Å; W24-C28 VanDerWaalsContact O-SG 3.41Å
25R94.8Very high89.8Confident135 Ų13590.8 Ų90.851%0.50948%0.478SS..Hα-helixtrans-59.1-44.9176.5-77.5-167.5-84.7159.1-7.5112.5D21 K22 N27 C28 I29D21-R25 PolarHBondContact O-N 2.98Å; D21-R25 IonicContact OD2-CZ 3.24Å; D21-R25 VanDerWaalsContact OD2-CZ 3.24Å; D21-R25 IonicContact OD2-NE 2.89Å; D21-R25 PolarHBondContact OD2-NE 3.39Å; D21-R25 IonicContact OD2-NH2 2.76Å; D21-R25 PolarHBondContact OD2-NH2 3.44Å; K22-R25 PolarHBondContact O-N 3.04Å; R25-N27 VanDerWaalsContact C-N 3.31Å; R25-N27 PolarHBondContact O-N 3.27Å; R25-C28 PolarHBondContact O-N 2.97Å; R25-I29 WeakPolarHBondContact O-CG1 3.41Å; R25-I29 PolarHBondContact O-N 3.05Å
26D95.2Very high91.2Very high68 Ų6894 Ų9436%0.36448%0.48SS..Hα-helixtrans-62.1-39.8178.5-72.6-15.4000111.4K22 I23 W24 I29 K30K22-D26 WeakPolarHBondContact O-CB 3.44Å; K22-D26 PolarHBondContact O-N 3.27Å; I23-D26 PolarHBondContact O-N 3.35Å; W24-D26 PolarHBondContact O-N 3.04Å; D26-I29 PolarHBondContact O-N 2.77Å; D26-K30 VanDerWaalsContact O-CG 3.31Å; D26-K30 WeakPolarHBondContact O-CG 2.98Å; D26-K30 PolarHBondContact O-N 3.04Å
27N95.8Very high92.1Very high84 Ų8493.8 Ų93.845%0.44948%0.484SS..Hα-helixtrans-66.3-43.3175.5-74.1-14.9000111.8I23 W24 R25 I29 K30 E31I23-N27 WeakPolarHBondContact O-CB 3.12Å; I23-N27 VanDerWaalsContact O-CG 3.32Å; I23-N27 PolarHBondContact O-N 2.76Å; W24-N27 PolarHBondContact O-N 2.78Å; R25-N27 VanDerWaalsContact C-N 3.31Å; R25-N27 PolarHBondContact O-N 3.27Å; N27-I29 VanDerWaalsContact C-N 3.29Å; N27-I29 PolarHBondContact O-N 3.28Å; N27-K30 PolarHBondContact O-N 3.33Å; N27-E31 WeakPolarHBondContact O-CB 3.47Å; N27-E31 PolarHBondContact O-N 3.34Å
28C97.1Very high92.8Very high56 Ų5689.3 Ų89.338%0.37847%0.466SS..Hα-helixtrans-59.2-39.6175.1-700000112.4W24 R25 A32W24-C28 VanDerWaalsContact CE2-SG 3.55Å; W24-C28 PolarHBondContact O-N 3.18Å; W24-C28 PolarHBondContact O-SG 3.09Å; W24-C28 VanDerWaalsContact O-SG 3.41Å; R25-C28 PolarHBondContact O-N 2.97Å; C28-A32 WeakPolarHBondContact O-CB 3.48Å; C28-A32 PolarHBondContact O-N 3.44Å
29I97.4Very high93.3Very high115 Ų11588.5 Ų88.559%0.5947%0.465SS*.Hα-helixtrans-67.8-42177.1-66.7166.1000110.9R25 D26 N27 A32 S33R25-I29 WeakPolarHBondContact O-CG1 3.41Å; R25-I29 PolarHBondContact O-N 3.05Å; D26-I29 PolarHBondContact O-N 2.77Å; N27-I29 VanDerWaalsContact C-N 3.29Å; N27-I29 PolarHBondContact O-N 3.28Å; I29-A32 PolarHBondContact O-N 3.19Å; I29-S33 PolarHBondContact O-N 3.42Å; I29-S33 PolarHBondContact O-OG 2.82Å; I29-S33 VanDerWaalsContact O-OG 3.08Å
30K96.7Very high94Very high130 Ų13096.9 Ų96.957%0.56550%0.501SS*.Hα-helixtrans-63.7-45.7176-73.7171.6-173.4170.50111.7D26 N27 A32 S33 A34D26-K30 VanDerWaalsContact O-CG 3.31Å; D26-K30 WeakPolarHBondContact O-CG 2.98Å; D26-K30 PolarHBondContact O-N 3.04Å; N27-K30 PolarHBondContact O-N 3.33Å; K30-A32 PolarHBondContact O-N 3.21Å; K30-S33 WeakPolarHBondContact CA-OG 3.28Å; K30-S33 PolarHBondContact O-N 3.36Å; K30-S33 PolarHBondContact O-OG 3.17Å; K30-A34 VanDerWaalsContact O-CB 3.3Å; K30-A34 WeakPolarHBondContact O-CB 3.5Å; K30-A34 PolarHBondContact O-N 3.39Å
31E96.8Very high94.5Very high146 Ų14699 Ų9968%0.68251%0.508SS*.Hα-helixtrans-56.4-50175.1-172.292.8-153.800110.6N27 S33 A34 A35N27-E31 WeakPolarHBondContact O-CB 3.47Å; N27-E31 PolarHBondContact O-N 3.34Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S33 PolarHBondContact O-N 2.8Å; E31-A34 PolarHBondContact O-N 3.03Å; E31-A35 WeakPolarHBondContact O-CB 3.25Å; E31-A35 PolarHBondContact O-N 2.83Å
32A97.2Very high94.8Very high48 Ų48101.7 Ų101.740%0.39751%0.513SS..Hα-helixtrans-63.5-37.3-179.400000112.8C28 I29 K30 K36C28-A32 WeakPolarHBondContact O-CB 3.48Å; C28-A32 PolarHBondContact O-N 3.44Å; I29-A32 PolarHBondContact O-N 3.19Å; K30-A32 PolarHBondContact O-N 3.21Å; A32-K36 WeakPolarHBondContact O-CG 3.46Å; A32-K36 PolarHBondContact O-N 3.26Å
33S96.6Very high94.9Very high68 Ų6899 Ų9948%0.47651%0.508SS..Hα-helixtrans-72.5-39.6175.759.10000112.1I29 K30 E31 K36 A37I29-S33 PolarHBondContact O-N 3.42Å; I29-S33 PolarHBondContact O-OG 2.82Å; I29-S33 VanDerWaalsContact O-OG 3.08Å; K30-S33 WeakPolarHBondContact CA-OG 3.28Å; K30-S33 PolarHBondContact O-N 3.36Å; K30-S33 PolarHBondContact O-OG 3.17Å; E31-S33 VanDerWaalsContact C-N 3.33Å; E31-S33 PolarHBondContact O-N 2.8Å; S33-K36 PolarHBondContact O-N 2.87Å; S33-A37 WeakPolarHBondContact O-CB 2.91Å; S33-A37 PolarHBondContact O-N 3.08Å
34A95.9Very high95Very high59 Ų5999.6 Ų99.649%0.48851%0.508SS..Hα-helixtrans-62-45173.800000111.6K30 E31 K36 A37 W38K30-A34 VanDerWaalsContact O-CB 3.3Å; K30-A34 WeakPolarHBondContact O-CB 3.5Å; K30-A34 PolarHBondContact O-N 3.39Å; E31-A34 PolarHBondContact O-N 3.03Å; A34-K36 VanDerWaalsContact C-N 3.32Å; A34-K36 PolarHBondContact O-N 3.38Å; A34-A37 CarbonylContact O-C 3.59Å; A34-A37 PolarHBondContact O-N 3.26Å; A34-A37 VanDerWaalsContact O-N 3.17Å; A34-W38 WeakPolarHBondContact O-CA 3.36Å; A34-W38 WeakPolarHBondContact O-CB 3.43Å; A34-W38 PolarHBondContact O-N 3.29Å
35A95.1Very high95.1Very high67 Ų6796.9 Ų96.955%0.55451%0.506SS*.Hα-helixtrans-59.9-41.1177.700000112.2E31 W38E31-A35 WeakPolarHBondContact O-CB 3.25Å; E31-A35 PolarHBondContact O-N 2.83Å; A35-W38 WeakPolarHBondContact O-CB 3.4Å; A35-W38 PolarHBondContact O-N 2.98Å
36K95.2Very high94.9Very high176 Ų17695 Ų9577%0.76551%0.509SS*.Hα-helixtrans-66.1-40.2175.2-71.7173.7-176.6-179.60112.4A32 S33 A34 W38A32-K36 WeakPolarHBondContact O-CG 3.46Å; A32-K36 PolarHBondContact O-N 3.26Å; S33-K36 PolarHBondContact O-N 2.87Å; A34-K36 VanDerWaalsContact C-N 3.32Å; A34-K36 PolarHBondContact O-N 3.38Å; K36-W38 VanDerWaalsContact C-N 3.3Å
37A95.8Very high94.8Very high39 Ų3995.5 Ų95.532%0.32251%0.511SS..Hα-helixtrans-78.6-14.3178.400000113.1S33 A34 S39 K40 N41S33-A37 WeakPolarHBondContact O-CB 2.91Å; S33-A37 PolarHBondContact O-N 3.08Å; A34-A37 CarbonylContact O-C 3.59Å; A34-A37 PolarHBondContact O-N 3.26Å; A34-A37 VanDerWaalsContact O-N 3.17Å; A37-S39 PolarHBondContact O-N 3.37Å; A37-K40 PolarHBondContact O-N 3.46Å; A37-N41 PolarHBondContact O-N 2.83Å
38W95.7Very high94.6Very high119 Ų11995 Ų9545%0.45151%0.511SS..Hα-helixtrans-61.2-46.9-169.7-172.791.3000112.3A34 A35 K36 K40 N41 W42 T46A34-W38 WeakPolarHBondContact O-CA 3.36Å; A34-W38 WeakPolarHBondContact O-CB 3.43Å; A34-W38 PolarHBondContact O-N 3.29Å; A35-W38 WeakPolarHBondContact O-CB 3.4Å; A35-W38 PolarHBondContact O-N 2.98Å; K36-W38 VanDerWaalsContact C-N 3.3Å; W38-K40 VanDerWaalsContact C-N 3.28Å; W38-K40 PolarHBondContact O-N 3.09Å; W38-N41 PolarHBondContact O-N 3.43Å; W38-W42 AromaticContact CD1-CD1 3.52Å; W38-W42 HydrophobicContact CD2-CB 4.1Å; W38-W42 HydrophobicContact CG-CB 4.35Å; W38-W42 HydrophobicContact CZ2-CB 4.11Å; W38-W42 AromaticContact NE1-CD1 3.82Å; W38-W42 AromaticContact NE1-CG 3.97Å; W38-W42 WeakPolarHBondContact O-CA 3.5Å; W38-W42 WeakPolarHBondContact O-CB 3.35Å; W38-W42 PolarHBondContact O-N 2.99Å; W38-T46 HydrophobicContact CH2-CG2 4.03Å; W38-T46 HydrophobicContact CZ3-CG2 4.29Å
39S93.7Very high94.2Very high78 Ų7897 Ų9755%0.54552%0.523SS..Hα-helixtrans-64.1-36.3-179.480.50000111.9A37 S43A37-S39 PolarHBondContact O-N 3.37Å; S39-S43 WeakPolarHBondContact O-CA 3.44Å; S39-S43 WeakPolarHBondContact O-CB 3.36Å; S39-S43 PolarHBondContact O-N 3.21Å; S39-S43 PolarHBondContact O-OG 3.4Å
40K93.8Very high93.8Very high179 Ų179101.1 Ų101.178%0.77853%0.532SS*.Hα-helixtrans-66.7-44.7178-175.4179.9176.5-178.10111.7A37 W38A37-K40 PolarHBondContact O-N 3.46Å; W38-K40 VanDerWaalsContact C-N 3.28Å; W38-K40 PolarHBondContact O-N 3.09Å
41N94.4Very high93.5Very high95 Ų9598.9 Ų98.951%0.50852%0.523SS..Hα-helixtrans-85.5-30.4-173.4-65.5-11.8000113A37 W38 F44A37-N41 PolarHBondContact O-N 2.83Å; W38-N41 PolarHBondContact O-N 3.43Å; N41-F44 WeakPolarHBondContact O-CD1 3.46Å; N41-F44 VanDerWaalsContact O-CE1 3.28Å; N41-F44 WeakPolarHBondContact O-CE1 3.3Å
42W94.7Very high93.2Very high124 Ų12495.8 Ų95.847%0.4751%0.511SS..Hα-helixtrans-126.810.8-168-55.8106.9000114.1W38 F44 L45W38-W42 AromaticContact CD1-CD1 3.52Å; W38-W42 HydrophobicContact CD2-CB 4.1Å; W38-W42 HydrophobicContact CG-CB 4.35Å; W38-W42 HydrophobicContact CZ2-CB 4.11Å; W38-W42 AromaticContact NE1-CD1 3.82Å; W38-W42 AromaticContact NE1-CG 3.97Å; W38-W42 WeakPolarHBondContact O-CA 3.5Å; W38-W42 WeakPolarHBondContact O-CB 3.35Å; W38-W42 PolarHBondContact O-N 2.99Å; W42-F44 HydrophobicContact CD2-CE1 4.36Å; W42-F44 AromaticContact CE3-CE1 3.52Å; W42-F44 HydrophobicContact CE3-CE1 3.52Å; W42-F44 AromaticContact CE3-CZ 3.46Å; W42-F44 HydrophobicContact CE3-CZ 3.46Å; W42-F44 VanDerWaalsContact CE3-CZ 3.46Å; W42-F44 HydrophobicContact CZ3-CE1 4.07Å; W42-F44 AromaticContact CZ3-CZ 3.72Å; W42-F44 HydrophobicContact CZ3-CZ 3.72Å; W42-F44 PolarHBondContact O-N 3.03Å; W42-F44 VanDerWaalsContact O-N 3.09Å; W42-L45 HydrophobicContact CB-CD1 4.12Å; W42-L45 HydrophobicContact CE3-CD1 4.03Å; W42-L45 HydrophobicContact CE3-CG 4.5Å; W42-L45 WeakPolarHBondContact O-CB 3.45Å; W42-L45 PolarHBondContact O-N 3.26Å
43S90.5Very high92.9Very high54 Ų5496.4 Ų96.438%0.37851%0.507SS..G310 helixtrans-56.1-25.2173.840.60000113.4S39 L45 T46S39-S43 WeakPolarHBondContact O-CA 3.44Å; S39-S43 WeakPolarHBondContact O-CB 3.36Å; S39-S43 PolarHBondContact O-N 3.21Å; S39-S43 PolarHBondContact O-OG 3.4Å; S43-L45 PolarHBondContact O-N 3Å; S43-T46 PolarHBondContact O-N 2.95Å; S43-T46 PolarHBondContact O-OG1 3.36Å
44F91.6Very high92.4Very high87 Ų8799.6 Ų99.638%0.38251%0.513SS..G310 helixtrans-60.8-25.2175.572.2-95.3000112.7N41 W42 T46 L47 L52N41-F44 WeakPolarHBondContact O-CD1 3.46Å; N41-F44 VanDerWaalsContact O-CE1 3.28Å; N41-F44 WeakPolarHBondContact O-CE1 3.3Å; W42-F44 HydrophobicContact CD2-CE1 4.36Å; W42-F44 AromaticContact CE3-CE1 3.52Å; W42-F44 HydrophobicContact CE3-CE1 3.52Å; W42-F44 AromaticContact CE3-CZ 3.46Å; W42-F44 HydrophobicContact CE3-CZ 3.46Å; W42-F44 VanDerWaalsContact CE3-CZ 3.46Å; W42-F44 HydrophobicContact CZ3-CE1 4.07Å; W42-F44 AromaticContact CZ3-CZ 3.72Å; W42-F44 HydrophobicContact CZ3-CZ 3.72Å; W42-F44 PolarHBondContact O-N 3.03Å; W42-F44 VanDerWaalsContact O-N 3.09Å; F44-T46 PolarHBondContact O-N 3.42Å; F44-L47 PolarHBondContact O-N 2.94Å; F44-L52 HydrophobicContact CB-CD2 3.64Å
45L92.8Very high92.1Very high108 Ų108103.6 Ų103.657%0.56553%0.526SS*.G310 helixtrans-70.4-18.9176.3-64.2178.3000113.3W42 S43W42-L45 HydrophobicContact CB-CD1 4.12Å; W42-L45 HydrophobicContact CE3-CD1 4.03Å; W42-L45 HydrophobicContact CE3-CG 4.5Å; W42-L45 WeakPolarHBondContact O-CB 3.45Å; W42-L45 PolarHBondContact O-N 3.26Å; S43-L45 PolarHBondContact O-N 3Å
46T92Very high91.8Very high96 Ų96105.5 Ų105.559%0.58952%0.523SS*.G310 helixtrans-85.8-15.7176.564.40000112.7W38 S43 F44W38-T46 HydrophobicContact CH2-CG2 4.03Å; W38-T46 HydrophobicContact CZ3-CG2 4.29Å; S43-T46 PolarHBondContact O-N 2.95Å; S43-T46 PolarHBondContact O-OG1 3.36Å; F44-T46 PolarHBondContact O-N 3.42Å
47L93Very high91.4Very high78 Ų78100.1 Ų100.141%0.40850%0.502SS..SBendtrans-86.3147.7-176.5-64.5176.7000110.8F44 E51 L52F44-L47 PolarHBondContact O-N 2.94Å; L47-E51 HydrophobicContact CB-CB 4.29Å; L47-E51 HydrophobicContact CD2-CB 4.49Å; L47-L52 HydrophobicContact CB-CD1 4.39Å; L47-L52 HydrophobicContact CB-CD2 3.84Å; L47-L52 HydrophobicContact CB-CG 3.75Å; L47-L52 HydrophobicContact CD1-CD2 3.67Å; L47-L52 HydrophobicContact CD1-CG 4.38Å; L47-L52 HydrophobicContact CG-CD2 4.36Å
48T91.5Very high90.8Very high72 Ų72105 Ų10544%0.44252%0.518SS..  trans-71.8153.2172.160.10000110.5R50 E51 L52T48-R50 PolarHBondContact O-N 2.88Å; T48-R50 VanDerWaalsContact O-N 3.12Å; T48-E51 PolarHBondContact N-OE2 3.42Å; T48-E51 WeakPolarHBondContact O-CA 3.32Å; T48-E51 WeakPolarHBondContact O-CB 3.31Å; T48-E51 PolarHBondContact O-N 3.43Å; T48-E51 VanDerWaalsContact OG1-CG 3.25Å; T48-E51 WeakPolarHBondContact OG1-CG 3.47Å; T48-E51 PolarHBondContact OG1-N 3.25Å; T48-E51 PolarHBondContact OG1-OE2 3.21Å; T48-L52 PolarHBondContact O-N 3.38Å
49P87.4Confident90.4Very high98 Ų98106.1 Ų106.164%0.63653%0.529SS*.Hα-helixtrans-54.9-33.9177.2-27.634.8000113.4E51 L53P49-E51 VanDerWaalsContact C-N 3.34Å; P49-L53 WeakPolarHBondContact O-CB 3.36Å; P49-L53 WeakPolarHBondContact O-CG 3.37Å; P49-L53 PolarHBondContact O-N 3.38Å; P49-L53 VanDerWaalsContact O-N 3.16Å
50R88.7Confident90Very high202 Ų202107.5 Ų107.576%0.76253%0.529SS*.Hα-helixtrans-65-36.2174.2-86.3-174.9178.7162.9-0.2112.9T48 K54T48-R50 PolarHBondContact O-N 2.88Å; T48-R50 VanDerWaalsContact O-N 3.12Å; R50-K54 WeakPolarHBondContact O-CG 3.35Å; R50-K54 PolarHBondContact O-N 3.47Å
51E91.2Very high89.6Confident83 Ų83103.8 Ų103.839%0.38852%0.517SS..Hα-helixtrans-74.7-39.8179.3-74.5166152.500112.5L47 T48 P49 L53L47-E51 HydrophobicContact CB-CB 4.29Å; L47-E51 HydrophobicContact CD2-CB 4.49Å; T48-E51 PolarHBondContact N-OE2 3.42Å; T48-E51 WeakPolarHBondContact O-CA 3.32Å; T48-E51 WeakPolarHBondContact O-CB 3.31Å; T48-E51 PolarHBondContact O-N 3.43Å; T48-E51 VanDerWaalsContact OG1-CG 3.25Å; T48-E51 WeakPolarHBondContact OG1-CG 3.47Å; T48-E51 PolarHBondContact OG1-N 3.25Å; T48-E51 PolarHBondContact OG1-OE2 3.21Å; P49-E51 VanDerWaalsContact C-N 3.34Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 2.98Å
52L90.4Very high89.2Confident81 Ų81103.6 Ų103.642%0.42452%0.516SS..Hα-helixtrans-63-39.3176.6-72.2169.3000112.4F44 L47 T48F44-L52 HydrophobicContact CB-CD2 3.64Å; L47-L52 HydrophobicContact CB-CD1 4.39Å; L47-L52 HydrophobicContact CB-CD2 3.84Å; L47-L52 HydrophobicContact CB-CG 3.75Å; L47-L52 HydrophobicContact CD1-CD2 3.67Å; L47-L52 HydrophobicContact CD1-CG 4.38Å; L47-L52 HydrophobicContact CG-CD2 4.36Å; T48-L52 PolarHBondContact O-N 3.38Å
53L90Very high88.7Confident62 Ų62103.3 Ų103.333%0.32553%0.53SS..THydrogen-bonded Turntrans-100.113.8-173.9-61.3173.4000113P49 E51 D55 E56 L57 L60P49-L53 WeakPolarHBondContact O-CB 3.36Å; P49-L53 WeakPolarHBondContact O-CG 3.37Å; P49-L53 PolarHBondContact O-N 3.38Å; P49-L53 VanDerWaalsContact O-N 3.16Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 2.98Å; L53-D55 PolarHBondContact O-N 3.05Å; L53-D55 VanDerWaalsContact O-N 3.1Å; L53-E56 CarbonylContact O-C 3.52Å; L53-E56 PolarHBondContact O-N 3.41Å; L53-E56 VanDerWaalsContact O-N 3.1Å; L53-L57 HydrophobicContact CB-CD1 4.48Å; L53-L57 WeakPolarHBondContact O-CA 3.46Å; L53-L57 VanDerWaalsContact O-CB 3.24Å; L53-L57 WeakPolarHBondContact O-CB 3.48Å; L53-L57 PolarHBondContact O-N 2.97Å; L53-L60 HydrophobicContact CD1-CD1 4.04Å; L53-L60 HydrophobicContact CD2-CD1 4.06Å; L53-L60 HydrophobicContact CG-CD1 4.45Å
54K87.7Confident88.5Confident134 Ų134107.4 Ų107.458%0.58355%0.548SS*.THydrogen-bonded Turntrans-49.9-43.5-173-79.7179.1175.2164.30113.3R50R50-K54 WeakPolarHBondContact O-CG 3.35Å; R50-K54 PolarHBondContact O-N 3.47Å
55D88.1Confident88.2Confident144 Ų144111.9 Ų111.977%0.7756%0.562SS**THydrogen-bonded Turntrans-78.2-35.9-175.4-56.5-28.1000111.5L53 H58L53-D55 PolarHBondContact O-N 3.05Å; L53-D55 VanDerWaalsContact O-N 3.1Å; D55-H58 PolarHBondContact O-CD2 2.78Å
56E89.7Confident87.8Confident106 Ų106115.5 Ų115.550%0.49557%0.573SS.*THydrogen-bonded Turntrans-88.9-10.5-178.7-60.5-178.8176.300113.3L53 H58 E59 L60L53-E56 CarbonylContact O-C 3.52Å; L53-E56 PolarHBondContact O-N 3.41Å; L53-E56 VanDerWaalsContact O-N 3.1Å; E56-H58 PolarHBondContact O-N 3.1Å; E56-H58 VanDerWaalsContact O-N 3.15Å; E56-E59 WeakPolarHBondContact O-CB 3.34Å; E56-E59 PolarHBondContact O-N 2.82Å; E56-L60 HydrophobicContact CB-CD1 4.13Å; E56-L60 HydrophobicContact CB-CG 4.45Å; E56-L60 WeakPolarHBondContact O-CG 3.35Å; E56-L60 PolarHBondContact O-N 2.97Å
57L86.2Confident87.4Confident63 Ų63116.7 Ų116.733%0.3358%0.583SS.*Hα-helixtrans-59.7-35.5-171.4-164.271.1000111.5L53 E59 I61L53-L57 HydrophobicContact CB-CD1 4.48Å; L53-L57 WeakPolarHBondContact O-CA 3.46Å; L53-L57 VanDerWaalsContact O-CB 3.24Å; L53-L57 WeakPolarHBondContact O-CB 3.48Å; L53-L57 PolarHBondContact O-N 2.97Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.43Å; L57-I61 HydrophobicContact CD1-CD1 3.9Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CD2-CD1 4.17Å; L57-I61 HydrophobicContact CG-CD1 3.64Å; L57-I61 HydrophobicContact CG-CG1 4.31Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 VanDerWaalsContact O-CG1 3.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-I61 VanDerWaalsContact O-N 3.08Å
58H83Confident87Confident141 Ų141119.1 Ų119.165%0.65360%0.595SS**Hα-helixtrans-71.2-23179.187.466.9000112.9D55 E56D55-H58 PolarHBondContact O-CD2 2.78Å; E56-H58 PolarHBondContact O-N 3.1Å; E56-H58 VanDerWaalsContact O-N 3.15Å
59E87.8Confident86.8Confident144 Ų144124.2 Ų124.267%0.67361%0.614SS**Hα-helixtrans-87.3-35.3178.4-58.7-170.716400110.8E56 L57E56-E59 WeakPolarHBondContact O-CB 3.34Å; E56-E59 PolarHBondContact O-N 2.82Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.43Å
60L86.5Confident86.9Confident107 Ų107124.2 Ų124.256%0.5661%0.607SS**Hα-helixtrans-78.1-27.9-179.1-65172.8000113.2L53 E56L53-L60 HydrophobicContact CD1-CD1 4.04Å; L53-L60 HydrophobicContact CD2-CD1 4.06Å; L53-L60 HydrophobicContact CG-CD1 4.45Å; E56-L60 HydrophobicContact CB-CD1 4.13Å; E56-L60 HydrophobicContact CB-CG 4.45Å; E56-L60 WeakPolarHBondContact O-CG 3.35Å; E56-L60 PolarHBondContact O-N 2.97Å
61I83.8Confident87Confident100 Ų100117.3 Ų117.351%0.51359%0.588SS.*SBendtrans-92.7103177.4-60177.2000109L57 P63L57-I61 HydrophobicContact CD1-CD1 3.9Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CD2-CD1 4.17Å; L57-I61 HydrophobicContact CG-CD1 3.64Å; L57-I61 HydrophobicContact CG-CG1 4.31Å; L57-I61 WeakPolarHBondContact O-CB 3.4Å; L57-I61 VanDerWaalsContact O-CG1 3.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.03Å; L57-I61 VanDerWaalsContact O-N 3.08Å; I61-P63 VanDerWaalsContact O-CD 3.25Å; I61-P63 WeakPolarHBondContact O-CD 3.08Å
62D86Confident86.8Confident92 Ų92120.3 Ų120.349%0.49260%0.602SS.*  trans-65.6114.7168.7-179.2-5.1000109.7N64 R65D62-N64 PolarHBondContact O-N 3.3Å; D62-N64 WeakPolarHBondContact OD1-CB 3.32Å; D62-N64 PolarHBondContact OD1-N 3.24Å; D62-R65 HydrophobicContact CB-CB 4.15Å; D62-R65 WeakPolarHBondContact O-CB 3.4Å; D62-R65 PolarHBondContact O-N 3.41Å; D62-R65 VanDerWaalsContact O-N 3.12Å
63P83.9Confident86.8Confident117 Ų117125.4 Ų125.476%0.7662%0.617SS**THydrogen-bonded Turntrans-65-19.6-177.726.7-34.5000113I61I61-P63 VanDerWaalsContact O-CD 3.25Å; I61-P63 WeakPolarHBondContact O-CD 3.08Å
64N87.2Confident86.9Confident141 Ų141127.5 Ų127.575%0.75463%0.628SS**THydrogen-bonded Turntrans-90.3-5.8179.6-61.7-55.4000113.1D62 K66D62-N64 PolarHBondContact O-N 3.3Å; D62-N64 WeakPolarHBondContact OD1-CB 3.32Å; D62-N64 PolarHBondContact OD1-N 3.24Å; N64-K66 PolarHBondContact O-N 2.88Å
65R85.2Confident87Confident180 Ų180126.2 Ų126.268%0.67962%0.623SS**  trans-70.6113.9-180-174.6174.4-176.8169.42110D62D62-R65 HydrophobicContact CB-CB 4.15Å; D62-R65 WeakPolarHBondContact O-CB 3.4Å; D62-R65 PolarHBondContact O-N 3.41Å; D62-R65 VanDerWaalsContact O-N 3.12Å
66K85.2Confident86.8Confident184 Ų184126 Ų12680%0.863%0.626SS**PPolyproline II helixtrans-62136.2174.1-65.3-176.9-178.2179.60110.2N64 I68N64-K66 PolarHBondContact O-N 2.88Å; K66-I68 PolarHBondContact O-N 2.95Å
67P82.5Confident86.6Confident121 Ų121125.2 Ų125.279%0.78664%0.638SS**PPolyproline II helixtrans-57.9135.6173.18.4-10.4000109.7E69P67-E69 PolarHBondContact O-N 3Å
68I84.9Confident86.6Confident130 Ų130130.9 Ų130.967%0.66766%0.662SS**PPolyproline II helixtrans-68.7117.2178.6-62.1160.4000107.2K66 I70K66-I68 PolarHBondContact O-N 2.95Å; I68-I70 PolarHBondContact O-N 3.37Å; I68-I70 VanDerWaalsContact O-N 3.15Å
69E88.3Confident86.8Confident179 Ų179128.7 Ų128.784%0.83667%0.669SS**  trans-69.5111.4171.1-68.1-169.1-176.700108.9P67 P71P67-E69 PolarHBondContact O-N 3Å; E69-P71 WeakPolarHBondContact O-CD 3.5Å
70I88.1Confident86.7Confident98 Ų98126.4 Ų126.450%0.50367%0.665SS.*  trans-74.8122.2178.1-55.2163.9000107.3I68 L74 K75I68-I70 PolarHBondContact O-N 3.37Å; I68-I70 VanDerWaalsContact O-N 3.15Å; I70-L74 HydrophobicContact CG2-CB 3.68Å; I70-K75 HydrophobicContact CB-CG 4.27Å; I70-K75 HydrophobicContact CG2-CG 4.01Å; I70-K75 WeakPolarHBondContact O-CE 3.46Å
71P91.3Very high86.9Confident56 Ų56125.2 Ų125.236%0.36466%0.663SS.*  trans-55.4145.5174-24.932.9000112E69 Y73 L74 K75E69-P71 WeakPolarHBondContact O-CD 3.5Å; P71-Y73 HydrophobicContact CB-CD1 3.6Å; P71-Y73 HydrophobicContact CB-CE1 3.19Å; P71-Y73 HydrophobicContact CG-CE1 3.94Å; P71-Y73 PolarHBondContact O-N 2.76Å; P71-Y73 VanDerWaalsContact O-N 3.08Å; P71-L74 HydrophobicContact CG-CD1 4.37Å; P71-L74 PolarHBondContact O-N 2.89Å; P71-K75 PolarHBondContact O-N 3.47Å
72Q87.8Confident87.2Confident146 Ų146125.5 Ų125.568%0.68266%0.664SS**G310 helixtrans-55.2-34.3-173.1-166.869.511.600113.6L74 K75Q72-L74 VanDerWaalsContact C-N 3.27Å; Q72-L74 PolarHBondContact O-N 3.29Å; Q72-K75 PolarHBondContact O-N 3.07Å; Q72-K75 VanDerWaalsContact OE1-NZ 3.12Å
73Y90.4Very high87.4Confident189 Ų189125.6 Ų125.674%0.74167%0.673SS**G310 helixtrans-72.7-16.5179.969.1-91.1000114.1P71P71-Y73 HydrophobicContact CB-CD1 3.6Å; P71-Y73 HydrophobicContact CB-CE1 3.19Å; P71-Y73 HydrophobicContact CG-CE1 3.94Å; P71-Y73 PolarHBondContact O-N 2.76Å; P71-Y73 VanDerWaalsContact O-N 3.08Å
74L91.1Very high87.7Confident105 Ų105122.7 Ų122.755%0.5566%0.658SS.*G310 helixtrans-96.6-11174.1-64.8-179.7000112.6I70 P71 Q72 V76I70-L74 HydrophobicContact CG2-CB 3.68Å; P71-L74 HydrophobicContact CG-CD1 4.37Å; P71-L74 PolarHBondContact O-N 2.89Å; Q72-L74 VanDerWaalsContact C-N 3.27Å; Q72-L74 PolarHBondContact O-N 3.29Å; L74-V76 PolarHBondContact O-N 2.99Å
75K89.1Confident87.8Confident108 Ų108123 Ų12347%0.4765%0.65SS.*SBendtrans-72.4127.6175.2-64.6-175.6-169.31680108.7I70 P71 Q72 A77I70-K75 HydrophobicContact CB-CG 4.27Å; I70-K75 HydrophobicContact CG2-CG 4.01Å; I70-K75 WeakPolarHBondContact O-CE 3.46Å; P71-K75 PolarHBondContact O-N 3.47Å; Q72-K75 PolarHBondContact O-N 3.07Å; Q72-K75 VanDerWaalsContact OE1-NZ 3.12Å; K75-A77 PolarHBondContact O-N 3Å
76V85.9Confident88.1Confident139 Ų139119 Ų11984%0.84264%0.641SS**PPolyproline II helixtrans-61.9120.1168.1178.70000107.1L74 E78L74-V76 PolarHBondContact O-N 2.99Å; V76-E78 PolarHBondContact O-N 3.26Å
77A83.8Confident88.2Confident89 Ų89118.1 Ų118.174%0.73664%0.637SS**PPolyproline II helixtrans-61.3129.917400000108.7K75 A79K75-A77 PolarHBondContact O-N 3Å; A77-A79 PolarHBondContact O-N 3.04Å
78E86Confident88.3Confident182 Ų182118.8 Ų118.885%0.8564%0.639SS**PPolyproline II helixtrans-59.3138.7175-65.5-176.7176.700109.5V76 V80V76-E78 PolarHBondContact O-N 3.26Å; E78-V80 PolarHBondContact O-N 2.95Å; E78-V80 VanDerWaalsContact O-N 3.09Å
79A87.3Confident88.3Confident95 Ų95119.3 Ų119.379%0.78564%0.638SS**PPolyproline II helixtrans-60.9119.5176.500000108.5A77 P81A77-A79 PolarHBondContact O-N 3.04Å; A79-P81 WeakPolarHBondContact O-CD 3.49Å
80V87.2Confident88.2Confident97 Ų97116 Ų11659%0.58863%0.632SS**PPolyproline II helixtrans-63.4122.5174.9-166.70000107E78 A84E78-V80 PolarHBondContact O-N 2.95Å; E78-V80 VanDerWaalsContact O-N 3.09Å; V80-A84 HydrophobicContact CG1-CB 3.49Å; V80-A84 VanDerWaalsContact CG1-CB 3.49Å
81P91Very high87.9Confident81 Ų81114.2 Ų114.253%0.52663%0.629SS.*PPolyproline II helixtrans-60.7145.7-178.124.9-33.8000109.9A79 S83 A84A79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-S83 PolarHBondContact O-N 3.12Å; P81-A84 HydrophobicContact CG-CB 4.5Å; P81-A84 WeakPolarHBondContact O-CB 3.43Å; P81-A84 PolarHBondContact O-N 3.08Å
82I89.9Confident87.3Confident106 Ų106113.2 Ų113.254%0.54462%0.622SS.*Hα-helixtrans-53.4-32.6-176.9-59.5170.6000111.7A84 Y85 I86I82-A84 PolarHBondContact O-N 3.02Å; I82-Y85 WeakPolarHBondContact CG1-OH 3.5Å; I82-Y85 HydrophobicContact CG2-CE2 4.18Å; I82-Y85 PolarHBondContact O-N 2.93Å; I82-I86 HydrophobicContact CG2-CB 4.23Å; I82-I86 HydrophobicContact CG2-CD1 3.33Å; I82-I86 HydrophobicContact CG2-CG1 3.71Å; I82-I86 WeakPolarHBondContact O-CB 3.49Å; I82-I86 PolarHBondContact O-N 3.32Å
83S89.9Confident87.1Confident95 Ų95115.1 Ų115.166%0.66463%0.628SS**Hα-helixtrans-61.1-23.6177.356.20000114.6P81P81-S83 PolarHBondContact O-N 3.12Å
84A90.4Very high86.9Confident55 Ų55111.6 Ų111.646%0.45563%0.628SS.*Hα-helixtrans-73-32.7-179.200000112.4V80 P81 I82V80-A84 HydrophobicContact CG1-CB 3.49Å; V80-A84 VanDerWaalsContact CG1-CB 3.49Å; P81-A84 HydrophobicContact CG-CB 4.5Å; P81-A84 WeakPolarHBondContact O-CB 3.43Å; P81-A84 PolarHBondContact O-N 3.08Å; I82-A84 PolarHBondContact O-N 3.02Å
85Y87.8Confident86.6Confident149 Ų149110.8 Ų110.858%0.58462%0.624SS**Hα-helixtrans-112.2-20.9-176.357.5-95.7000114I82I82-Y85 WeakPolarHBondContact CG1-OH 3.5Å; I82-Y85 HydrophobicContact CG2-CE2 4.18Å; I82-Y85 PolarHBondContact O-N 2.93Å
86I91.4Very high86.5Confident96 Ų96106.6 Ų106.649%0.49261%0.608SS.*  trans-95.397.8170.7-53.7-168.9000109.1I82I82-I86 HydrophobicContact CG2-CB 4.23Å; I82-I86 HydrophobicContact CG2-CD1 3.33Å; I82-I86 HydrophobicContact CG2-CG1 3.71Å; I82-I86 WeakPolarHBondContact O-CB 3.49Å; I82-I86 PolarHBondContact O-N 3.32Å
87K87.9Confident86.6Confident164 Ų164109.4 Ų109.471%0.71361%0.612SS**  trans-92.9116.9170.2-63.9-177.7-178.1-179.70109.3E89K87-E89 PolarHBondContact O-N 3.31Å
88V85.5Confident86.9Confident135 Ų135108.9 Ų108.982%0.81860%0.599SS**  trans-85.199.3174.9-177.10000108.2
89E85Confident87Confident142 Ų142106 Ų10666%0.66459%0.594SS**PPolyproline II helixtrans-66.9152.1172.1-68-61.715100111K87K87-E89 PolarHBondContact O-N 3.31Å
90P85.8Confident87Confident108 Ų108105.9 Ų105.970%0.70159%0.588SS**PPolyproline II helixtrans-58.4150.917823.4-32000111.7
91S81.1Confident86.9Confident62 Ų62109.8 Ų109.843%0.43459%0.592SS.*PPolyproline II helixtrans-61.8139.3-179.1-69.90000111.7K93 R106S91-K93 PolarHBondContact O-N 3.43Å; S91-R106 PolarHBondContact OG-NH2 3.01Å
92P79.2Confident86.7Confident35 Ų35110.8 Ų110.823%0.22759%0.591CS.*PPolyproline II helixtrans-59.1135.1175.2-12.723.6000110W105 Y112P92-W105 HydrophobicContact CB-CH2 4.44Å; P92-W105 HydrophobicContact CB-CZ3 4.38Å; P92-W105 HydrophobicContact CG-CH2 4.44Å; P92-W105 WeakPolarHBondContact O-CH2 2.92Å; P92-W105 WeakPolarHBondContact O-CZ3 3.42Å; P92-Y112 WeakPolarHBondContact CG-OH 3.13Å
93K83Confident86.4Confident186 Ų186112.6 Ų112.681%0.80960%0.6SS**SBendtrans-99.8145.9173.2-67.2178.8-177.31750109.3S91S91-K93 PolarHBondContact O-N 3.43Å
94P86.7Confident86Confident115 Ų115109.8 Ų109.875%0.74759%0.586SS**SBendcis-83138.54.431.3-32.5000113W105P94-W105 WeakPolarHBondContact O-CZ3 3.16Å
95I84.5Confident85.7Confident87 Ų87110.2 Ų110.245%0.44658%0.576SS.*PPolyproline II helixtrans-72.9130.7171.2-60167.3000107.1Q97 M102 W105I95-Q97 PolarHBondContact O-N 3.14Å; I95-M102 HydrophobicContact CG2-CE 4.38Å; I95-W105 HydrophobicContact CG1-CH2 4.37Å
96P88.2Confident85.5Confident21 Ų21107.3 Ų107.314%0.13656%0.564CS.*PPolyproline II helixtrans-58.8134.7177.819.2-29.4000111.2R101 M102 W105P96-R101 HydrophobicContact CB-CB 3.77Å; P96-R101 HydrophobicContact CB-CG 3.98Å; P96-M102 HydrophobicContact CG-CB 4.23Å; P96-M102 HydrophobicContact CG-CG 4.3Å; P96-W105 HydrophobicContact CG-CB 4.2Å; P96-W105 HydrophobicContact CG-CD2 3.89Å; P96-W105 HydrophobicContact CG-CE3 4.24Å; P96-W105 HydrophobicContact CG-CG 3.87Å
97Q87.5Confident85Confident198 Ų198106.3 Ų106.393%0.92557%0.566SS**SBendtrans-79.9-25.4-179.2-63.5-146.616.200113.6I95I95-Q97 PolarHBondContact O-N 3.14Å
98T90.4Very high84.3Confident77 Ų77101.6 Ų101.647%0.47256%0.563SS.*SBendtrans-101.3140.3-179.532.10000111.3S100 R101 M102T98-S100 VanDerWaalsContact C-N 3.29Å; T98-S100 PolarHBondContact O-N 3.5Å; T98-R101 CarbonylContact O-C 3.55Å; T98-R101 PolarHBondContact O-N 3.22Å; T98-R101 WeakPolarHBondContact OG1-CB 3.33Å; T98-M102 PolarHBondContact O-N 3.12Å
99T87.3Confident84Confident122 Ų12298.3 Ų98.375%0.74854%0.541SS*.Hα-helixtrans-57.9-39.21784.50000112.3R101 M102 I103T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 3Å; T99-M102 VanDerWaalsContact O-CB 3.3Å; T99-M102 WeakPolarHBondContact O-CB 3.15Å; T99-M102 PolarHBondContact O-N 3.05Å; T99-M102 VanDerWaalsContact O-N 3.11Å; T99-I103 PolarHBondContact O-N 3.4Å
100S88.2Confident83.8Confident93 Ų9396.7 Ų96.765%0.6554%0.543SS*.Hα-helixtrans-59.6-39175.458.90000112.2T98 M102 I103T98-S100 VanDerWaalsContact C-N 3.29Å; T98-S100 PolarHBondContact O-N 3.5Å; S100-M102 VanDerWaalsContact C-N 3.3Å; S100-I103 PolarHBondContact O-N 3.32Å
101R83.9Confident83.5Confident179 Ų17997.6 Ų97.668%0.67554%0.538SS*.Hα-helixtrans-80.3-14.9-179.9-152178.4-165.2178.23.9112.1P96 T98 T99 I103 W105P96-R101 HydrophobicContact CB-CB 3.77Å; P96-R101 HydrophobicContact CB-CG 3.98Å; T98-R101 CarbonylContact O-C 3.55Å; T98-R101 PolarHBondContact O-N 3.22Å; T98-R101 WeakPolarHBondContact OG1-CB 3.33Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 3Å; R101-I103 VanDerWaalsContact C-N 3.3Å; R101-W105 WeakPolarHBondContact O-CB 3.49Å
102M86.5Confident83.4Confident102 Ų10298.1 Ų98.150%0.50253%0.531SS..Hα-helixtrans-74.5-23.4172.7-155.1166-155.200112.3I95 P96 T98 T99 S100 G104I95-M102 HydrophobicContact CG2-CE 4.38Å; P96-M102 HydrophobicContact CG-CB 4.23Å; P96-M102 HydrophobicContact CG-CG 4.3Å; T98-M102 PolarHBondContact O-N 3.12Å; T99-M102 VanDerWaalsContact O-CB 3.3Å; T99-M102 WeakPolarHBondContact O-CB 3.15Å; T99-M102 PolarHBondContact O-N 3.05Å; T99-M102 VanDerWaalsContact O-N 3.11Å; S100-M102 VanDerWaalsContact C-N 3.3Å; M102-G104 PolarHBondContact O-N 3.02Å
103I84.6Confident83.3Confident143 Ų143104.8 Ų104.873%0.73356%0.556SS**SBendtrans-76.5119.2173.2-57.4171.1000108.1T99 S100 R101 W105T99-I103 PolarHBondContact O-N 3.4Å; S100-I103 PolarHBondContact O-N 3.32Å; R101-I103 VanDerWaalsContact C-N 3.3Å; I103-W105 VanDerWaalsContact C-N 3.32Å; I103-W105 PolarHBondContact O-N 3.17Å
104G80.1Confident83.1Confident37 Ų37101.3 Ų101.338%0.38155%0.546SS..SBendtrans762.5172.300000117.1M102 R106 S107 G108M102-G104 PolarHBondContact O-N 3.02Å; G104-R106 PolarHBondContact O-N 3.48Å; G104-R106 VanDerWaalsContact O-N 3.17Å; G104-S107 WeakPolarHBondContact CA-OG 3.3Å; G104-S107 PolarHBondContact O-N 2.71Å; G104-S107 PolarHBondContact O-OG 3.24Å; G104-G108 PolarHBondContact O-N 3.43Å
105W85.3Confident82.5Confident63 Ų63102 Ų10224%0.23954%0.543CS..THydrogen-bonded Turntrans-58.5-32.2178.173.5-60.5000114P92 P94 I95 P96 R101 I103P92-W105 HydrophobicContact CB-CH2 4.44Å; P92-W105 HydrophobicContact CB-CZ3 4.38Å; P92-W105 HydrophobicContact CG-CH2 4.44Å; P92-W105 WeakPolarHBondContact O-CH2 2.92Å; P92-W105 WeakPolarHBondContact O-CZ3 3.42Å; P94-W105 WeakPolarHBondContact O-CZ3 3.16Å; I95-W105 HydrophobicContact CG1-CH2 4.37Å; P96-W105 HydrophobicContact CG-CB 4.2Å; P96-W105 HydrophobicContact CG-CD2 3.89Å; P96-W105 HydrophobicContact CG-CE3 4.24Å; P96-W105 HydrophobicContact CG-CG 3.87Å; R101-W105 WeakPolarHBondContact O-CB 3.49Å; I103-W105 VanDerWaalsContact C-N 3.32Å; I103-W105 PolarHBondContact O-N 3.17Å
106R82.6Confident81.7Confident89 Ų89106.4 Ų106.434%0.33656%0.559SS.*THydrogen-bonded Turntrans-82.8-29.6173.9-71.3178179.8-126.914.8112.5S91 G104 G108 L109 Y112S91-R106 PolarHBondContact OG-NH2 3.01Å; G104-R106 PolarHBondContact O-N 3.48Å; G104-R106 VanDerWaalsContact O-N 3.17Å; R106-G108 VanDerWaalsContact C-N 3.28Å; R106-G108 PolarHBondContact O-N 3.16Å; R106-L109 PolarHBondContact O-N 3.11Å; R106-Y112 HydrophobicContact CB-CD2 4.25Å; R106-Y112 HydrophobicContact CB-CE2 4.28Å; R106-Y112 HydrophobicContact CG-CE2 4.31Å; R106-Y112 WeakPolarHBondContact O-CD2 3.38Å
107S80.8Confident80.7Confident74 Ų74114.2 Ų114.252%0.51759%0.587SS.*THydrogen-bonded Turntrans-69.8-26.8-179.656.40000112.9G104 L109G104-S107 WeakPolarHBondContact CA-OG 3.3Å; G104-S107 PolarHBondContact O-N 2.71Å; G104-S107 PolarHBondContact O-OG 3.24Å; S107-L109 VanDerWaalsContact C-N 3.28Å; S107-L109 PolarHBondContact O-N 3.26Å
108G75Confident79.4Confident65 Ų65113.1 Ų113.167%0.6758%0.582SS**THydrogen-bonded Turntrans-74.9-9.4176.400000115.4G104 R106G104-G108 PolarHBondContact O-N 3.43Å; R106-G108 VanDerWaalsContact C-N 3.28Å; R106-G108 PolarHBondContact O-N 3.16Å
109L79.3Confident78Confident66 Ų66114.9 Ų114.935%0.34659%0.592SS.*  trans-94.6117.6-175.4-75.7173000110.9R106 S107 Q111 Y112R106-L109 PolarHBondContact O-N 3.11Å; S107-L109 VanDerWaalsContact C-N 3.28Å; S107-L109 PolarHBondContact O-N 3.26Å; L109-Q111 HydrophobicContact CB-CG 4.14Å; L109-Q111 PolarHBondContact O-N 3.49Å; L109-Y112 HydrophobicContact CB-CD2 3.59Å; L109-Y112 HydrophobicContact CB-CE2 3.56Å; L109-Y112 HydrophobicContact CD1-CD2 4.44Å; L109-Y112 HydrophobicContact CD1-CE2 3.58Å; L109-Y112 HydrophobicContact CG-CE2 4.2Å; L109-Y112 PolarHBondContact O-N 3.43Å; L109-Y112 VanDerWaalsContact O-N 3.14Å
110P79.3Confident76.7Confident108 Ų108112.5 Ų112.570%0.70159%0.585SS**G310 helixtrans-56.8-29.4-174.7-24.131.6000113.8Y112 K113P110-Y112 PolarHBondContact O-N 3.42Å; P110-K113 WeakPolarHBondContact O-CG 3.44Å; P110-K113 PolarHBondContact O-N 3.35Å; P110-K113 VanDerWaalsContact O-N 3.12Å
111Q80.2Confident75.5Confident127 Ų127117.4 Ų117.459%0.59360%0.595SS**G310 helixtrans-61.1-26-178.967.4-151.431.400114.4L109L109-Q111 HydrophobicContact CB-CG 4.14Å; L109-Q111 PolarHBondContact O-N 3.49Å
112Y79.9Confident74.7Confident74 Ų74119 Ų11929%0.2960%0.601SS.*G310 helixtrans-88.3-8.5179.3-55.1-61.1000113.5P92 R106 L109 P110 L114P92-Y112 WeakPolarHBondContact CG-OH 3.13Å; R106-Y112 HydrophobicContact CB-CD2 4.25Å; R106-Y112 HydrophobicContact CB-CE2 4.28Å; R106-Y112 HydrophobicContact CG-CE2 4.31Å; R106-Y112 WeakPolarHBondContact O-CD2 3.38Å; L109-Y112 HydrophobicContact CB-CD2 3.59Å; L109-Y112 HydrophobicContact CB-CE2 3.56Å; L109-Y112 HydrophobicContact CD1-CD2 4.44Å; L109-Y112 HydrophobicContact CD1-CE2 3.58Å; L109-Y112 HydrophobicContact CG-CE2 4.2Å; L109-Y112 PolarHBondContact O-N 3.43Å; L109-Y112 VanDerWaalsContact O-N 3.14Å; P110-Y112 PolarHBondContact O-N 3.42Å; Y112-L114 PolarHBondContact O-N 3.11Å
113K76.9Confident73.8Confident174 Ų174119.9 Ų119.976%0.75761%0.614SS**  trans44.539.8175.8-59.8-176178.7-178.50113.5P110 D115P110-K113 WeakPolarHBondContact O-CG 3.44Å; P110-K113 PolarHBondContact O-N 3.35Å; P110-K113 VanDerWaalsContact O-N 3.12Å; K113-D115 VanDerWaalsContact C-N 3.31Å; K113-D115 PolarHBondContact O-N 3.4Å
114L78.6Confident73.1Confident113 Ų113119 Ų11959%0.59261%0.607SS**  trans-69.3-32.3-176.1-72.3168.9000111.4Y112 K116Y112-L114 PolarHBondContact O-N 3.11Å; L114-K116 VanDerWaalsContact C-N 3.35Å; L114-K116 PolarHBondContact O-N 2.63Å; L114-K116 VanDerWaalsContact O-N 3.11Å
115D73.4Confident72.8Confident131 Ų131119.6 Ų119.670%0.70161%0.613SS**  trans-81.183.9164.7-88.7-27.1000109.8K113 Y117 E118K113-D115 VanDerWaalsContact C-N 3.31Å; K113-D115 PolarHBondContact O-N 3.4Å; D115-Y117 PolarHBondContact O-N 3.22Å; D115-Y117 VanDerWaalsContact O-N 3.16Å; D115-E118 PolarHBondContact O-N 2.82Å
116K68.6Low72.4Confident178 Ų178120 Ų12077%0.77463%0.625SS**SBendtrans-59.9-22173.8-153176.9-169.4-179.20112.4L114L114-K116 VanDerWaalsContact C-N 3.35Å; L114-K116 PolarHBondContact O-N 2.63Å; L114-K116 VanDerWaalsContact O-N 3.11Å
117Y65.9Low72.5Confident186 Ų186121.3 Ų121.373%0.72964%0.639SS**  trans-115.681.2173.4-45-73.8000107.1D115 V119D115-Y117 PolarHBondContact O-N 3.22Å; D115-Y117 VanDerWaalsContact O-N 3.16Å; Y117-V119 PolarHBondContact O-N 2.8Å
118E61.4Low72.7Confident175 Ų175119.4 Ų119.482%0.81862%0.622SS**  trans-57.992.9151.2-74.4-175.6-178.800105.2D115 A120D115-E118 PolarHBondContact O-N 2.82Å; E118-A120 VanDerWaalsContact C-N 3.33Å; E118-A120 PolarHBondContact O-N 2.93Å
119V59.7Low73.1Confident113 Ų113124 Ų12469%0.68562%0.624SS**  trans-51.6109.8174.4175.80000103.3Y117 K121Y117-V119 PolarHBondContact O-N 2.8Å; V119-K121 WeakPolarHBondContact O-CG 3.25Å; V119-K121 PolarHBondContact O-N 3.28Å
120A61Low73.3Confident72 Ų72127.5 Ų127.560%0.59563%0.633SS**  trans-61.391176.300000105.4E118 R122E118-A120 VanDerWaalsContact C-N 3.33Å; E118-A120 PolarHBondContact O-N 2.93Å; A120-R122 PolarHBondContact O-N 3.29Å
121K62.5Low73.7Confident196 Ų196128 Ų12885%0.85262%0.624SS**  trans-66.53.4178.8-68.9-171.7-179.6-177.50111.3V119V119-K121 WeakPolarHBondContact O-CG 3.25Å; V119-K121 PolarHBondContact O-N 3.28Å
122R66.9Low74Confident212 Ų212129 Ų12980%0.863%0.633SS**SBendtrans-76.2125172.5-60.7-174.6-178.71751.4107.1A120 Q124A120-R122 PolarHBondContact O-N 3.29Å; R122-Q124 PolarHBondContact O-N 3.44Å
123P68.9Low74.4Confident122 Ų122132.6 Ų132.679%0.79265%0.646SS**  trans-52.9137.5167.524-31.9000107.4G125P123-G125 PolarHBondContact O-N 2.91Å
124Q69Low74.9Confident124 Ų124128.1 Ų128.158%0.57964%0.635SS**  trans-61.49.7-172.1-72.5-99-47.200114.6R122 R130R122-Q124 PolarHBondContact O-N 3.44Å; Q124-R130 VanDerWaalsContact O-CD 3.25Å; Q124-R130 WeakPolarHBondContact O-CD 3.44Å; Q124-R130 PolarHBondContact O-NE 3.06Å
125G73.1Confident75.3Confident49 Ų49128.6 Ų128.651%0.50564%0.637SS.*  trans70.3166-170.400000111.4P123P123-G125 PolarHBondContact O-N 2.91Å
126S78.6Confident76Confident71 Ų71128.6 Ų128.650%0.49763%0.633SS.*  trans-66.5142.716759.10000109.5L128 K129 R130S126-L128 PolarHBondContact O-N 2.99Å; S126-K129 PolarHBondContact O-N 3.42Å; S126-R130 PolarHBondContact O-N 3.3Å
127L82.8Confident76.7Confident118 Ų118122.8 Ų122.862%0.61862%0.618SS**Hα-helixtrans-53.9-38.7177.7-78.1164.5000111.7K129 R130 F131L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.06Å; L127-R130 PolarHBondContact O-N 3.34Å; L127-F131 HydrophobicContact CB-CD2 4.45Å; L127-F131 HydrophobicContact CD2-CE2 3.84Å; L127-F131 VanDerWaalsContact O-CD2 3.28Å; L127-F131 WeakPolarHBondContact O-CD2 3.28Å; L127-F131 PolarHBondContact O-N 3.04Å
128L86.6Confident77.4Confident34 Ų34120 Ų12018%0.17862%0.615CS.*Hα-helixtrans-52.5-45.4174.4-65.1177.6000112.6S126 R130 F131 N132 W133 A137 L138S126-L128 PolarHBondContact O-N 2.99Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.03Å; L128-F131 PolarHBondContact O-N 3.32Å; L128-N132 WeakPolarHBondContact O-CA 3.45Å; L128-N132 PolarHBondContact O-N 2.98Å; L128-W133 HydrophobicContact CD2-CB 3.82Å; L128-W133 HydrophobicContact CD2-CE3 4.37Å; L128-W133 PolarHBondContact O-N 3.21Å; L128-A137 HydrophobicContact CD2-CB 4.37Å; L128-L138 HydrophobicContact CD1-CD1 3.65Å; L128-L138 HydrophobicContact CD1-CG 4.06Å; L128-L138 HydrophobicContact CD2-CG 4.26Å; L128-L138 HydrophobicContact CG-CD1 4.5Å
129K82.3Confident78.1Confident162 Ų162124.2 Ų124.270%0.70463%0.625SS**Hα-helixtrans-71.6-26.7-179.2-165.7172-175174.90112.6S126 L127S126-K129 PolarHBondContact O-N 3.42Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 3.06Å
130R83.5Confident79Confident139 Ų139124.8 Ų124.853%0.52562%0.622SS.*Hα-helixtrans-75.6-36.4176.5-58.1-173.2100.7175.414.5112Q124 S126 L127 L128Q124-R130 VanDerWaalsContact O-CD 3.25Å; Q124-R130 WeakPolarHBondContact O-CD 3.44Å; Q124-R130 PolarHBondContact O-NE 3.06Å; S126-R130 PolarHBondContact O-N 3.3Å; L127-R130 PolarHBondContact O-N 3.34Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.03Å
131F87.7Confident80Confident119 Ų119127.6 Ų127.652%0.52262%0.624SS.*Hα-helixtrans-93.71.6-179.8-64.7-61.2000113.9L127 L128 W133L127-F131 HydrophobicContact CB-CD2 4.45Å; L127-F131 HydrophobicContact CD2-CE2 3.84Å; L127-F131 VanDerWaalsContact O-CD2 3.28Å; L127-F131 WeakPolarHBondContact O-CD2 3.28Å; L127-F131 PolarHBondContact O-N 3.04Å; L128-F131 PolarHBondContact O-N 3.32Å; F131-W133 HydrophobicContact CB-CD2 3.81Å; F131-W133 HydrophobicContact CB-CG 3.77Å; F131-W133 HydrophobicContact CB-CZ2 4.33Å; F131-W133 HydrophobicContact CD2-CZ2 4.48Å; F131-W133 HydrophobicContact CG-CZ2 4.35Å; F131-W133 PolarHBondContact O-N 2.71Å
132N86.1Confident80.9Confident148 Ų148123.8 Ų123.879%0.79161%0.611SS**THydrogen-bonded Turntrans49.937.9-170.4-68.8-26.4000112.5L128L128-N132 WeakPolarHBondContact O-CA 3.45Å; L128-N132 PolarHBondContact O-N 2.98Å
133W89.5Confident81.7Confident148 Ų148118.6 Ų118.656%0.56160%0.6SS**  trans-82.5139.8179.2-72.6-2.9000110.7L128 F131 A137L128-W133 HydrophobicContact CD2-CB 3.82Å; L128-W133 HydrophobicContact CD2-CE3 4.37Å; L128-W133 PolarHBondContact O-N 3.21Å; F131-W133 HydrophobicContact CB-CD2 3.81Å; F131-W133 HydrophobicContact CB-CG 3.77Å; F131-W133 HydrophobicContact CB-CZ2 4.33Å; F131-W133 HydrophobicContact CD2-CZ2 4.48Å; F131-W133 HydrophobicContact CG-CZ2 4.35Å; F131-W133 PolarHBondContact O-N 2.71Å; W133-A137 HydrophobicContact CB-CB 4.28Å; W133-A137 HydrophobicContact CE3-CB 4.18Å
134P88Confident82.5Confident80 Ų80118.4 Ų118.452%0.51959%0.588SS.*  trans-75157.8176.342.6-41.8000108.2E136 A137P134-E136 WeakPolarHBondContact CB-OE2 3.42Å; P134-E136 PolarHBondContact O-N 3.16Å; P134-E136 VanDerWaalsContact O-N 3.13Å; P134-A137 WeakPolarHBondContact O-CB 3.08Å; P134-A137 PolarHBondContact O-N 3.13Å; P134-A137 VanDerWaalsContact O-N 3.13Å
135I87.1Confident83.5Confident124 Ų124118 Ų11864%0.63659%0.588SS**G310 helixtrans-64.8-22.8-168.3-64167.9000111.1A137 L138I135-A137 PolarHBondContact O-N 3.13Å; I135-A137 VanDerWaalsContact O-N 3.16Å; I135-L138 PolarHBondContact O-N 3.25Å
136E87.5Confident84.2Confident131 Ų131122.9 Ų122.961%0.61259%0.594SS**G310 helixtrans-61.2-20.4177-56.582.7-178.200112.9P134 L138 Y139P134-E136 WeakPolarHBondContact CB-OE2 3.42Å; P134-E136 PolarHBondContact O-N 3.16Å; P134-E136 VanDerWaalsContact O-N 3.13Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-Y139 PolarHBondContact O-N 3.07Å; E136-Y139 VanDerWaalsContact O-N 3.09Å
137A83.1Confident84.6Confident55 Ų55126.9 Ų126.946%0.45560%0.602SS.*G310 helixtrans-67.2-5.6177.500000114.4L128 W133 P134 I135L128-A137 HydrophobicContact CD2-CB 4.37Å; W133-A137 HydrophobicContact CB-CB 4.28Å; W133-A137 HydrophobicContact CE3-CB 4.18Å; P134-A137 WeakPolarHBondContact O-CB 3.08Å; P134-A137 PolarHBondContact O-N 3.13Å; P134-A137 VanDerWaalsContact O-N 3.13Å; I135-A137 PolarHBondContact O-N 3.13Å; I135-A137 VanDerWaalsContact O-N 3.16Å
138L80.5Confident84.8Confident127 Ų127127.7 Ų127.767%0.66560%0.601SS**G310 helixtrans-95.4-7.1174-69.8178.9000114L128 I135 E136L128-L138 HydrophobicContact CD1-CD1 3.65Å; L128-L138 HydrophobicContact CD1-CG 4.06Å; L128-L138 HydrophobicContact CD2-CG 4.26Å; L128-L138 HydrophobicContact CG-CD1 4.5Å; I135-L138 PolarHBondContact O-N 3.25Å; E136-L138 PolarHBondContact O-N 3.09Å
139Y75.7Confident84.6Confident265 Ų265136.2 Ų136.2100%1.03964%0.639SS**  trans-109.10-179.3-80-85.4000110.9E136E136-Y139 PolarHBondContact O-N 3.07Å; E136-Y139 VanDerWaalsContact O-N 3.09Å

Retrieved 139 of 139 residues in 63.2 ms (Link to these results)