A0A077ZC60_TRITR Loading...

GST C and GST N 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M96.1Very high97.7Very high29 Ų2928.8 Ų28.814%0.14313%0.134CC..  0159.20-22.3-171.6-58.800111.5L19 I24 F26 E27 L52 V53 E55 M73M1-L19 HydrophobicContact CE-CD2 3.51Å; M1-I24 HydrophobicContact CE-CG2 3.61Å; M1-I24 HydrophobicContact SD-CG2 4.5Å; M1-F26 WeakPolarHBondContact O-CA 3.48Å; M1-E27 PolarHBondContact O-N 3.49Å; M1-E27 VanDerWaalsContact O-N 3.09Å; M1-L52 HydrophobicContact CE-CD1 4.12Å; M1-L52 HydrophobicContact CE-CD2 4.25Å; M1-V53 CarbonylContact C-O 3.45Å; M1-V53 WeakPolarHBondContact CA-O 3.24Å; M1-E55 PolarHBondContact N-OE1 3.4Å; M1-M73 HydrophobicContact CE-CE 4.27Å; M1-M73 HydrophobicContact CE-SD 4.09Å; M1-M73 HydrophobicContact SD-CE 3.55Å; M1-M73 VanDerWaalsContact SD-CE 3.55Å; M1-M73 HydrophobicContact SD-SD 3.72Å
2K98.3Very high97.8Very high76 Ų7626.6 Ų26.633%0.3312%0.123SC..EExtended strand (participates in β ladder)trans-123.1143.4175.7-40.8-166.2-178.8-144.50111.9E27 I29 L52 V53K2-E27 CarbonylContact C-O 3.56Å; K2-E27 VanDerWaalsContact CA-O 3.28Å; K2-E27 WeakPolarHBondContact CA-O 3.27Å; K2-E27 HydrophobicContact CB-CB 4.38Å; K2-E27 WeakPolarHBondContact CD-OE2 3.26Å; K2-E27 WeakPolarHBondContact CE-OE2 3.32Å; K2-E27 HydrophobicContact CG-CB 4.19Å; K2-E27 IonicContact NZ-OE1 3.29Å; K2-E27 PolarHBondContact NZ-OE1 3.21Å; K2-E27 IonicContact NZ-OE2 2.79Å; K2-E27 PolarHBondContact NZ-OE2 3.23Å; K2-I29 HydrophobicContact CB-CD1 4.14Å; K2-I29 HydrophobicContact CD-CD1 3.48Å; K2-I29 VanDerWaalsContact CD-CD1 3.48Å; K2-I29 HydrophobicContact CD-CG1 4.33Å; K2-I29 HydrophobicContact CG-CD1 4.45Å; K2-L52 CarbonylContact O-C 3.58Å; K2-L52 WeakPolarHBondContact O-CA 3.47Å; K2-L52 WeakPolarHBondContact O-CD1 3.38Å; K2-V53 HydrophobicContact CB-CB 4.19Å; K2-V53 PolarHBondContact N-O 3.46Å; K2-V53 PolarHBondContact O-N 3.3Å
3L98.6Very high97.8Very high0 Ų026.4 Ų26.40%012%0.121CC..EExtended strand (participates in β ladder)trans-112.3108.9170.5-175.965.1000108.8V12 L15 S16 L19 F26 E27 F28 I29 P50 L52L3-V12 HydrophobicContact CD2-CG1 4.22Å; L3-L15 HydrophobicContact CD1-CB 4.31Å; L3-L15 HydrophobicContact CD2-CB 4.37Å; L3-S16 VanDerWaalsContact CD2-OG 3.29Å; L3-S16 WeakPolarHBondContact CD2-OG 3.12Å; L3-L19 HydrophobicContact CD2-CD1 4.2Å; L3-F26 HydrophobicContact CB-CD2 3.78Å; L3-F26 HydrophobicContact CB-CE2 4.14Å; L3-F26 HydrophobicContact CD2-CD2 4.46Å; L3-F26 HydrophobicContact CD2-CE2 4.06Å; L3-E27 PolarHBondContact N-O 2.93Å; L3-F28 HydrophobicContact CB-CD2 4.36Å; L3-F28 HydrophobicContact CD2-CD2 4.22Å; L3-F28 HydrophobicContact CD2-CE2 4.21Å; L3-F28 HydrophobicContact CG-CD2 4.37Å; L3-F28 HydrophobicContact CG-CE2 4.42Å; L3-F28 WeakPolarHBondContact O-CA 3.33Å; L3-I29 PolarHBondContact O-N 3.28Å; L3-P50 HydrophobicContact CD1-CB 4Å; L3-L52 HydrophobicContact CB-CD1 4.48Å; L3-L52 HydrophobicContact CD1-CD1 4.2Å
4V98.5Very high97.9Very high0 Ų024.5 Ų24.50%011%0.112CC..EExtended strand (participates in β ladder)trans-86.8123.3175.7-172.50000108.5I29 E31 F43 P50 V51 V53V4-I29 WeakPolarHBondContact CA-O 3.42Å; V4-I29 HydrophobicContact CB-CB 4.49Å; V4-I29 HydrophobicContact CG1-CB 4.46Å; V4-I29 HydrophobicContact CG1-CG2 4.33Å; V4-I29 HydrophobicContact CG2-CB 4.16Å; V4-I29 HydrophobicContact CG2-CD1 4.14Å; V4-E31 HydrophobicContact CG1-CB 4.08Å; V4-E31 HydrophobicContact CG1-CG 3.83Å; V4-F43 HydrophobicContact CG1-CD2 4.13Å; V4-F43 HydrophobicContact CG1-CE2 4.34Å; V4-F43 HydrophobicContact CG2-CD1 4.37Å; V4-F43 HydrophobicContact CG2-CD2 4.17Å; V4-F43 HydrophobicContact CG2-CE1 4.46Å; V4-F43 HydrophobicContact CG2-CE2 4.27Å; V4-F43 HydrophobicContact CG2-CG 4.22Å; V4-F43 HydrophobicContact CG2-CZ 4.41Å; V4-P50 WeakPolarHBondContact O-CA 3.35Å; V4-V51 HydrophobicContact CB-CB 4.13Å; V4-V51 HydrophobicContact CG2-CB 4.49Å; V4-V51 PolarHBondContact N-O 2.9Å; V4-V51 PolarHBondContact O-N 3.24Å; V4-V53 HydrophobicContact CG2-CG2 4.07Å
5G98Very high98Very high0 Ų022.9 Ų22.90%011%0.105CC..EExtended strand (participates in β ladder)trans-178.2-178.3-176.800000114.8I29 N30 E31G5-I29 PolarHBondContact N-O 3.07Å; G5-I29 VanDerWaalsContact O-O 3.14Å; G5-N30 CarbonylContact O-C 3.53Å; G5-N30 VanDerWaalsContact O-CA 3.23Å; G5-N30 WeakPolarHBondContact O-CA 3.12Å; G5-N30 PolarHBondContact O-OD1 3.09Å; G5-E31 CarbonylContact C-O 3.5Å; G5-E31 PolarHBondContact O-N 3.44Å
6S96.6Very high98Very high7 Ų722 Ų225%0.04910%0.102CC..  trans-112.2146171.7103.90000110.6T8 S9 E31S6-T8 PolarHBondContact O-N 3.47Å; S6-T8 PolarHBondContact OG-N 3.32Å; S6-T8 VanDerWaalsContact OG-N 3.16Å; S6-T8 PolarHBondContact OG-OG1 3.29Å; S6-S9 PolarHBondContact O-N 2.74Å; S6-S9 VanDerWaalsContact O-N 3.07Å; S6-S9 PolarHBondContact OG-N 3.46Å; S6-E31 WeakPolarHBondContact CB-O 3.36Å; S6-E31 PolarHBondContact N-O 3.04Å
7Y96.7Very high98.1Very high127 Ų12720.7 Ų20.750%0.49810%0.096SC..THydrogen-bonded Turntrans-59.8-14175-61.6-67.1000114.1F28 N30Y7-F28 HydrophobicContact CD1-CD1 4.39Å; Y7-F28 AromaticContact CD1-CE1 3.79Å; Y7-F28 HydrophobicContact CD1-CE1 3.79Å; Y7-F28 HydrophobicContact CD1-CZ 4.11Å; Y7-F28 HydrophobicContact CD2-CE1 4.39Å; Y7-F28 AromaticContact CE1-CD1 3.63Å; Y7-F28 HydrophobicContact CE1-CD1 3.63Å; Y7-F28 AromaticContact CE1-CE1 3.48Å; Y7-F28 HydrophobicContact CE1-CE1 3.48Å; Y7-F28 VanDerWaalsContact CE1-CE1 3.48Å; Y7-F28 HydrophobicContact CE1-CG 4.41Å; Y7-F28 HydrophobicContact CE1-CZ 4.15Å; Y7-F28 HydrophobicContact CE2-CD1 4.48Å; Y7-F28 HydrophobicContact CE2-CE1 4.12Å; Y7-F28 HydrophobicContact CG-CE1 4.23Å; Y7-F28 AromaticContact CZ-CD1 3.69Å; Y7-F28 AromaticContact CZ-CE1 3.66Å; Y7-N30 HydrophobicContact CD2-CB 4.46Å; Y7-N30 VanDerWaalsContact CD2-OD1 3.32Å; Y7-N30 WeakPolarHBondContact CD2-OD1 3.46Å; Y7-N30 HydrophobicContact CE2-CB 3.81Å; Y7-N30 VanDerWaalsContact CE2-CG 3.46Å
8T96.6Very high98.1Very high33 Ų3319.6 Ų19.620%0.2029%0.091CC..THydrogen-bonded Turntrans-103-4.3-179.763.80000113.5S6 Y164 F167 R168 P200S6-T8 PolarHBondContact O-N 3.47Å; S6-T8 PolarHBondContact OG-N 3.32Å; S6-T8 VanDerWaalsContact OG-N 3.16Å; S6-T8 PolarHBondContact OG-OG1 3.29Å; T8-Y164 WeakPolarHBondContact O-CE2 3.36Å; T8-F167 HydrophobicContact CG2-CE1 3.77Å; T8-F167 HydrophobicContact CG2-CZ 3.76Å; T8-R168 PolarHBondContact OG1-NH2 2.79Å; T8-P200 HydrophobicContact CG2-CG 4.25Å
9S98Very high98.1Very high13 Ų1318.5 Ų18.59%0.0919%0.086CC..  trans-81.4123.3177.8171.90000110.1S6 F11 V12 R13S6-S9 PolarHBondContact O-N 2.74Å; S6-S9 VanDerWaalsContact O-N 3.07Å; S6-S9 PolarHBondContact OG-N 3.46Å; S9-F11 VanDerWaalsContact C-N 3.31Å; S9-F11 PolarHBondContact O-N 2.86Å; S9-V12 PolarHBondContact O-N 2.86Å; S9-V12 WeakPolarHBondContact OG-CG2 3.23Å; S9-V12 PolarHBondContact OG-N 3.43Å; S9-R13 PolarHBondContact O-N 3.21Å
10P98.4Very high98.1Very high7 Ų719.5 Ų19.55%0.0459%0.091CC..Hα-helixtrans-73.6-28-179.433.9-37.3000112.2R13 K14 M101 Y164P10-R13 PolarHBondContact O-N 3.19Å; P10-K14 PolarHBondContact O-N 3.24Å; P10-M101 HydrophobicContact CB-CG 4.04Å; P10-M101 HydrophobicContact CB-SD 3.61Å; P10-M101 HydrophobicContact CG-CB 3.99Å; P10-M101 HydrophobicContact CG-CG 3.93Å; P10-M101 HydrophobicContact CG-SD 3.8Å; P10-Y164 HydrophobicContact CB-CD2 3.82Å; P10-Y164 HydrophobicContact CB-CG 3.8Å; P10-Y164 HydrophobicContact CG-CD1 4.05Å; P10-Y164 HydrophobicContact CG-CD2 3.6Å; P10-Y164 HydrophobicContact CG-CE1 4.43Å; P10-Y164 HydrophobicContact CG-CE2 4.01Å; P10-Y164 HydrophobicContact CG-CG 3.61Å
11F98.7Very high98.1Very high25 Ų2520 Ų2011%0.119%0.094CC..Hα-helixtrans-63.6-45.8170.6-53.2-74.4000110.3S9 R13 K14 L15 P50 D98 M101 D102 L105S9-F11 VanDerWaalsContact C-N 3.31Å; S9-F11 PolarHBondContact O-N 2.86Å; F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 2.95Å; F11-K14 WeakPolarHBondContact O-CB 3.33Å; F11-K14 PolarHBondContact O-N 2.89Å; F11-L15 WeakPolarHBondContact O-CD2 3.31Å; F11-L15 PolarHBondContact O-N 3.09Å; F11-P50 HydrophobicContact CB-CG 4.37Å; F11-D98 HydrophobicContact CE1-CB 4.23Å; F11-M101 HydrophobicContact CD1-CB 4.42Å; F11-M101 HydrophobicContact CD1-SD 3.83Å; F11-M101 HydrophobicContact CE1-CB 3.62Å; F11-M101 HydrophobicContact CE1-CG 4.37Å; F11-M101 HydrophobicContact CE1-SD 3.91Å; F11-M101 HydrophobicContact CE2-CB 4.13Å; F11-M101 HydrophobicContact CG-SD 4.36Å; F11-M101 HydrophobicContact CZ-CB 3.44Å; F11-M101 VanDerWaalsContact CZ-CB 3.44Å; F11-M101 HydrophobicContact CZ-SD 4.49Å; F11-D102 WeakPolarHBondContact CZ-OD1 3.45Å; F11-L105 HydrophobicContact CE2-CD2 4.42Å
12V98.7Very high98.2Very high2 Ų219.1 Ų19.11%0.0129%0.089CC..Hα-helixtrans-63.5-40.4175.2175.40000111.1L3 S9 K14 L15 S16 F28 V49 P50L3-V12 HydrophobicContact CD2-CG1 4.22Å; S9-V12 PolarHBondContact O-N 2.86Å; S9-V12 WeakPolarHBondContact OG-CG2 3.23Å; S9-V12 PolarHBondContact OG-N 3.43Å; V12-K14 VanDerWaalsContact C-N 3.35Å; V12-K14 PolarHBondContact O-N 2.81Å; V12-L15 PolarHBondContact O-N 3.21Å; V12-S16 WeakPolarHBondContact O-CB 3.5Å; V12-S16 PolarHBondContact O-N 2.98Å; V12-S16 PolarHBondContact O-OG 2.84Å; V12-F28 HydrophobicContact CG1-CE2 3.45Å; V12-F28 VanDerWaalsContact CG1-CE2 3.45Å; V12-F28 HydrophobicContact CG1-CZ 3.78Å; V12-V49 HydrophobicContact CG2-CB 3.95Å; V12-V49 HydrophobicContact CG2-CG2 3.79Å; V12-P50 HydrophobicContact CB-CB 4.5Å; V12-P50 HydrophobicContact CG2-CB 3.77Å; V12-P50 HydrophobicContact CG2-CG 4.44Å
13R98.7Very high98.2Very high24 Ų2418.5 Ų18.59%0.09110%0.104CC..Hα-helixtrans-59.7-43.9176.9-166.7-179.8-175.4-173.53.7111.7S9 P10 F11 L15 S16 I17 F194 T197S9-R13 PolarHBondContact O-N 3.21Å; P10-R13 PolarHBondContact O-N 3.19Å; F11-R13 VanDerWaalsContact C-N 3.33Å; F11-R13 PolarHBondContact O-N 2.95Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.17Å; R13-S16 PolarHBondContact O-N 3.18Å; R13-I17 HydrophobicContact CG-CD1 3.86Å; R13-I17 WeakPolarHBondContact O-CG1 3.44Å; R13-I17 PolarHBondContact O-N 3.4Å; R13-F194 PolarHBondContact NH2-O 3.45Å; R13-T197 WeakPolarHBondContact CD-O 3.28Å; R13-T197 PolarHBondContact NE-O 3.36Å; R13-T197 PolarHBondContact NE-OG1 2.91Å
14K98.8Very high98.2Very high0 Ų019.4 Ų19.40%011%0.109CC..Hα-helixtrans-52.2-50.9175177.1179.468.8172.70111.4P10 F11 V12 I17 L18 S63 E94 D98 L153 I156 A157 C160P10-K14 PolarHBondContact O-N 3.24Å; F11-K14 WeakPolarHBondContact O-CB 3.33Å; F11-K14 PolarHBondContact O-N 2.89Å; V12-K14 VanDerWaalsContact C-N 3.35Å; V12-K14 PolarHBondContact O-N 2.81Å; K14-I17 PolarHBondContact O-N 3.01Å; K14-L18 WeakPolarHBondContact O-CB 3.39Å; K14-L18 PolarHBondContact O-N 2.92Å; K14-S63 VanDerWaalsContact CE-OG 3.3Å; K14-S63 WeakPolarHBondContact CE-OG 3.45Å; K14-S63 PolarHBondContact NZ-OG 2.85Å; K14-E94 IonicContact NZ-OE1 3.05Å; K14-E94 PolarHBondContact NZ-OE1 3.01Å; K14-D98 IonicContact NZ-OD1 3.47Å; K14-D98 PolarHBondContact NZ-OD1 2.85Å; K14-D98 IonicContact NZ-OD2 2.75Å; K14-D98 PolarHBondContact NZ-OD2 3.46Å; K14-L153 HydrophobicContact CD-CD1 4.31Å; K14-L153 HydrophobicContact CG-CD1 4.46Å; K14-I156 HydrophobicContact CG-CG2 4.22Å; K14-A157 HydrophobicContact CD-CB 3.73Å; K14-A157 HydrophobicContact CG-CB 4.47Å; K14-C160 VanDerWaalsContact CA-SG 3.59Å; K14-C160 HydrophobicContact CB-CB 4.46Å
15L98.8Very high98.1Very high0 Ų025.5 Ų25.50%015%0.147CC..Hα-helixtrans-73-34.6-178.2-73-45.9000112.5L3 F11 V12 R13 I17 L18 L19 P50 I66 A67 I70L3-L15 HydrophobicContact CD1-CB 4.31Å; L3-L15 HydrophobicContact CD2-CB 4.37Å; F11-L15 WeakPolarHBondContact O-CD2 3.31Å; F11-L15 PolarHBondContact O-N 3.09Å; V12-L15 PolarHBondContact O-N 3.21Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.17Å; L15-I17 VanDerWaalsContact C-N 3.35Å; L15-L18 HydrophobicContact CD1-CD2 4.09Å; L15-L18 PolarHBondContact O-N 3.13Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.02Å; L15-P50 HydrophobicContact CD2-CG 3.93Å; L15-I66 HydrophobicContact CB-CG2 4.49Å; L15-I66 HydrophobicContact CD1-CB 4.16Å; L15-I66 HydrophobicContact CD1-CG2 3.75Å; L15-I66 HydrophobicContact CG-CB 4.21Å; L15-I66 HydrophobicContact CG-CG2 3.72Å; L15-A67 HydrophobicContact CD1-CB 3.88Å; L15-I70 HydrophobicContact CD1-CD1 3.98Å
16S98.6Very high98.1Very high9 Ų927.8 Ų27.86%0.06316%0.157CC..Hα-helixtrans-60.8-46174.3-56.30000110.8L3 V12 R13 L19 L20L3-S16 VanDerWaalsContact CD2-OG 3.29Å; L3-S16 WeakPolarHBondContact CD2-OG 3.12Å; V12-S16 WeakPolarHBondContact O-CB 3.5Å; V12-S16 PolarHBondContact O-N 2.98Å; V12-S16 PolarHBondContact O-OG 2.84Å; R13-S16 PolarHBondContact O-N 3.18Å; S16-L19 PolarHBondContact O-N 3.33Å; S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 WeakPolarHBondContact O-CG 3.29Å; S16-L20 PolarHBondContact O-N 3.32Å
17I98.8Very high98.2Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-62.9-44.8175.7-70.6163000110.6R13 K14 L15 L19 L20 E21 I156 F194 T197R13-I17 HydrophobicContact CG-CD1 3.86Å; R13-I17 WeakPolarHBondContact O-CG1 3.44Å; R13-I17 PolarHBondContact O-N 3.4Å; K14-I17 PolarHBondContact O-N 3.01Å; L15-I17 VanDerWaalsContact C-N 3.35Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.17Å; I17-L20 PolarHBondContact O-N 3.44Å; I17-E21 HydrophobicContact CG2-CG 4.05Å; I17-E21 WeakPolarHBondContact O-CB 3.48Å; I17-E21 VanDerWaalsContact O-CG 3.3Å; I17-E21 WeakPolarHBondContact O-CG 3.41Å; I17-E21 PolarHBondContact O-N 2.81Å; I17-I156 HydrophobicContact CB-CG2 3.96Å; I17-I156 HydrophobicContact CD1-CG2 4.46Å; I17-I156 HydrophobicContact CG2-CB 4.45Å; I17-I156 HydrophobicContact CG2-CD1 3.98Å; I17-I156 HydrophobicContact CG2-CG1 3.96Å; I17-I156 HydrophobicContact CG2-CG2 3.62Å; I17-F194 HydrophobicContact CD1-CD1 3.59Å; I17-F194 HydrophobicContact CD1-CD2 4.03Å; I17-F194 HydrophobicContact CD1-CE1 3.51Å; I17-F194 HydrophobicContact CD1-CE2 3.99Å; I17-F194 HydrophobicContact CD1-CG 3.86Å; I17-F194 HydrophobicContact CD1-CZ 3.73Å; I17-F194 HydrophobicContact CG1-CD2 4.46Å; I17-F194 HydrophobicContact CG2-CD2 4.14Å; I17-F194 HydrophobicContact CG2-CE2 3.76Å; I17-F194 HydrophobicContact CG2-CZ 4.28Å; I17-T197 HydrophobicContact CG1-CG2 4.21Å; I17-T197 VanDerWaalsContact CG1-OG1 3.31Å; I17-T197 WeakPolarHBondContact CG1-OG1 3.38Å
18L98.6Very high98.3Very high0 Ų028.4 Ų28.40%016%0.163CC..Hα-helixtrans-57.4-46.4178.8-170.469.6000112K14 L15 K22 A67 I70 M79 L153 I156K14-L18 WeakPolarHBondContact O-CB 3.39Å; K14-L18 PolarHBondContact O-N 2.92Å; L15-L18 HydrophobicContact CD1-CD2 4.09Å; L15-L18 PolarHBondContact O-N 3.13Å; L18-K22 HydrophobicContact CG-CD 4.35Å; L18-K22 VanDerWaalsContact O-CG 3.26Å; L18-K22 WeakPolarHBondContact O-CG 3.28Å; L18-K22 PolarHBondContact O-N 3.24Å; L18-A67 HydrophobicContact CD2-CB 4.07Å; L18-I70 HydrophobicContact CD2-CB 3.97Å; L18-I70 HydrophobicContact CD2-CD1 3.94Å; L18-I70 HydrophobicContact CD2-CG2 3.75Å; L18-I70 HydrophobicContact CG-CG2 3.96Å; L18-M79 HydrophobicContact CD1-CB 3.75Å; L18-M79 HydrophobicContact CD1-CG 3.5Å; L18-L153 HydrophobicContact CD1-CD1 4.38Å; L18-L153 HydrophobicContact CD2-CD1 4.3Å; L18-I156 HydrophobicContact CD1-CD1 4.36Å
19L98.6Very high98.3Very high0 Ų028.6 Ų28.60%016%0.162CC..Hα-helixtrans-63.4-43.3176.4-69.4165.4000111.8M1 L3 L15 S16 I17 K22 G23 I24 F26 L52 I70M1-L19 HydrophobicContact CE-CD2 3.51Å; L3-L19 HydrophobicContact CD2-CD1 4.2Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.02Å; S16-L19 PolarHBondContact O-N 3.33Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.17Å; L19-K22 CarbonylContact O-C 3.56Å; L19-K22 PolarHBondContact O-N 2.84Å; L19-G23 PolarHBondContact O-N 2.97Å; L19-G23 VanDerWaalsContact O-N 3.17Å; L19-I24 HydrophobicContact CD2-CB 3.93Å; L19-I24 HydrophobicContact CD2-CD1 4.17Å; L19-I24 HydrophobicContact CD2-CG2 3.78Å; L19-I24 PolarHBondContact O-N 2.98Å; L19-F26 HydrophobicContact CB-CD1 3.65Å; L19-F26 HydrophobicContact CB-CE1 3.56Å; L19-F26 HydrophobicContact CB-CZ 4.49Å; L19-F26 HydrophobicContact CD1-CB 4.31Å; L19-F26 HydrophobicContact CD1-CD1 3.6Å; L19-F26 HydrophobicContact CD1-CD2 4.21Å; L19-F26 HydrophobicContact CD1-CE1 3.87Å; L19-F26 HydrophobicContact CD1-CE2 4.44Å; L19-F26 HydrophobicContact CD1-CG 3.78Å; L19-F26 HydrophobicContact CD1-CZ 4.29Å; L19-F26 HydrophobicContact CG-CD1 4.17Å; L19-F26 HydrophobicContact CG-CE1 4.36Å; L19-L52 HydrophobicContact CD1-CD1 4.4Å; L19-I70 HydrophobicContact CD1-CD1 4.45Å; L19-I70 HydrophobicContact CD2-CD1 3.73Å; L19-I70 HydrophobicContact CD2-CG1 3.93Å; L19-I70 HydrophobicContact CD2-CG2 4.37Å; L19-I70 HydrophobicContact CG-CD1 3.89Å
20L98.4Very high98.2Very high37 Ų3731.6 Ų31.619%0.19418%0.177CC..Hα-helixtrans-65.1-44.6179.7-72.3174000112.6S16 I17 K22 G23 F26 R196 T197S16-L20 WeakPolarHBondContact O-CB 3.44Å; S16-L20 WeakPolarHBondContact O-CG 3.29Å; S16-L20 PolarHBondContact O-N 3.32Å; I17-L20 PolarHBondContact O-N 3.44Å; L20-K22 PolarHBondContact O-N 3.31Å; L20-G23 PolarHBondContact O-N 2.78Å; L20-F26 HydrophobicContact CD2-CE1 4.35Å; L20-F26 HydrophobicContact CG-CE1 4.35Å; L20-R196 HydrophobicContact CD1-CB 4.2Å; L20-T197 HydrophobicContact CD1-CG2 3.59Å
21E98.4Very high98Very high32 Ų3233.3 Ų33.315%0.1519%0.185CC..Hα-helixtrans-62.5-29.5177.6-71.6-70.3161.600112.6I17 G23 P77 M79 I156 R191 S193I17-E21 HydrophobicContact CG2-CG 4.05Å; I17-E21 WeakPolarHBondContact O-CB 3.48Å; I17-E21 VanDerWaalsContact O-CG 3.3Å; I17-E21 WeakPolarHBondContact O-CG 3.41Å; I17-E21 PolarHBondContact O-N 2.81Å; E21-G23 VanDerWaalsContact C-N 3.34Å; E21-P77 VanDerWaalsContact O-CD 3.22Å; E21-P77 WeakPolarHBondContact O-CD 3.49Å; E21-M79 HydrophobicContact CB-CE 3.24Å; E21-M79 HydrophobicContact CG-CE 3.92Å; E21-I156 HydrophobicContact CG-CD1 4.48Å; E21-R191 IonicContact OE1-CZ 3.05Å; E21-R191 IonicContact OE1-NE 3.92Å; E21-R191 PolarHBondContact OE1-NE 3.08Å; E21-R191 IonicContact OE1-NH2 3.89Å; E21-R191 PolarHBondContact OE1-NH2 2.68Å; E21-R191 IonicContact OE2-CZ 2.9Å; E21-R191 IonicContact OE2-NE 2.78Å; E21-R191 IonicContact OE2-NH2 2.79Å; E21-R191 PolarHBondContact OE2-NH2 2.69Å; E21-S193 WeakPolarHBondContact OE1-CB 3.46Å; E21-S193 PolarHBondContact OE1-OG 3.31Å
22K98.2Very high97.8Very high9 Ų935.6 Ų35.64%0.03920%0.197CC..THydrogen-bonded Turntrans-890.7176.5-61175.483.4750113.3L18 L19 L20 I24 I70 E71 V75 P77 M79L18-K22 HydrophobicContact CG-CD 4.35Å; L18-K22 VanDerWaalsContact O-CG 3.26Å; L18-K22 WeakPolarHBondContact O-CG 3.28Å; L18-K22 PolarHBondContact O-N 3.24Å; L19-K22 CarbonylContact O-C 3.56Å; L19-K22 PolarHBondContact O-N 2.84Å; L20-K22 PolarHBondContact O-N 3.31Å; K22-I24 HydrophobicContact CB-CD1 3.91Å; K22-I24 HydrophobicContact CB-CG1 3.95Å; K22-I24 HydrophobicContact CD-CD1 4.27Å; K22-I24 PolarHBondContact O-N 3.41Å; K22-I70 HydrophobicContact CD-CG2 3.58Å; K22-E71 WeakPolarHBondContact CE-OE1 3.41Å; K22-E71 IonicContact NZ-OE1 2.69Å; K22-E71 PolarHBondContact NZ-OE1 3.48Å; K22-V75 HydrophobicContact CB-CG1 4.28Å; K22-V75 WeakPolarHBondContact CE-O 3.29Å; K22-V75 PolarHBondContact NZ-O 3.29Å; K22-V75 VanDerWaalsContact O-CG1 3.23Å; K22-V75 WeakPolarHBondContact O-CG1 3.43Å; K22-P77 PolarHBondContact NZ-O 3.45Å; K22-M79 HydrophobicContact CG-CE 4.45Å
23G98Very high97.6Very high63 Ų6336.9 Ų36.965%0.64921%0.206SC*.THydrogen-bonded Turntrans63.921-177.300000114.2L19 L20 E21L19-G23 PolarHBondContact O-N 2.97Å; L19-G23 VanDerWaalsContact O-N 3.17Å; L20-G23 PolarHBondContact O-N 2.78Å; E21-G23 VanDerWaalsContact C-N 3.34Å
24I97.9Very high97.2Very high20 Ų2041.7 Ų41.710%0.10323%0.225CC..  trans-81.8122.4-179.6-61.4171.6000108.5M1 L19 K22 F26 I70 M73 V75M1-I24 HydrophobicContact CE-CG2 3.61Å; M1-I24 HydrophobicContact SD-CG2 4.5Å; L19-I24 HydrophobicContact CD2-CB 3.93Å; L19-I24 HydrophobicContact CD2-CD1 4.17Å; L19-I24 HydrophobicContact CD2-CG2 3.78Å; L19-I24 PolarHBondContact O-N 2.98Å; K22-I24 HydrophobicContact CB-CD1 3.91Å; K22-I24 HydrophobicContact CB-CG1 3.95Å; K22-I24 HydrophobicContact CD-CD1 4.27Å; K22-I24 PolarHBondContact O-N 3.41Å; I24-F26 WeakPolarHBondContact O-CD1 3.47Å; I24-I70 HydrophobicContact CD1-CG2 4.2Å; I24-M73 HydrophobicContact CD1-CE 4.16Å; I24-M73 HydrophobicContact CD1-SD 4.08Å; I24-M73 HydrophobicContact CG2-CE 4.39Å; I24-V75 HydrophobicContact CD1-CB 4.18Å; I24-V75 HydrophobicContact CD1-CG1 4.5Å; I24-V75 HydrophobicContact CD1-CG2 4.16Å; I24-V75 HydrophobicContact CG1-CB 4.37Å; I24-V75 HydrophobicContact CG1-CG1 4.17Å; I24-V75 HydrophobicContact CG1-CG2 4.33Å
25T97.5Very high96.9Very high128 Ų12845.8 Ų45.879%0.78525%0.247SC*.  trans-78.9134.7176.3-60.10000110.3
26F97.9Very high96.5Very high48 Ų4850.7 Ų50.721%0.21129%0.288CS..  trans-144.7151.2178.364-83.5000111.6M1 L3 L19 L20 I24 F28M1-F26 WeakPolarHBondContact O-CA 3.48Å; L3-F26 HydrophobicContact CB-CD2 3.78Å; L3-F26 HydrophobicContact CB-CE2 4.14Å; L3-F26 HydrophobicContact CD2-CD2 4.46Å; L3-F26 HydrophobicContact CD2-CE2 4.06Å; L19-F26 HydrophobicContact CB-CD1 3.65Å; L19-F26 HydrophobicContact CB-CE1 3.56Å; L19-F26 HydrophobicContact CB-CZ 4.49Å; L19-F26 HydrophobicContact CD1-CB 4.31Å; L19-F26 HydrophobicContact CD1-CD1 3.6Å; L19-F26 HydrophobicContact CD1-CD2 4.21Å; L19-F26 HydrophobicContact CD1-CE1 3.87Å; L19-F26 HydrophobicContact CD1-CE2 4.44Å; L19-F26 HydrophobicContact CD1-CG 3.78Å; L19-F26 HydrophobicContact CD1-CZ 4.29Å; L19-F26 HydrophobicContact CG-CD1 4.17Å; L19-F26 HydrophobicContact CG-CE1 4.36Å; L20-F26 HydrophobicContact CD2-CE1 4.35Å; L20-F26 HydrophobicContact CG-CE1 4.35Å; I24-F26 WeakPolarHBondContact O-CD1 3.47Å; F26-F28 HydrophobicContact CE2-CB 4.28Å; F26-F28 HydrophobicContact CE2-CD2 4.1Å
27E98.3Very high96.1Very high98 Ų9857.7 Ų57.746%0.45832%0.324SS..EExtended strand (participates in β ladder)trans-82.9131.6166.9-175.6-170.6153.600109M1 K2 L3M1-E27 PolarHBondContact O-N 3.49Å; M1-E27 VanDerWaalsContact O-N 3.09Å; K2-E27 CarbonylContact C-O 3.56Å; K2-E27 VanDerWaalsContact CA-O 3.28Å; K2-E27 WeakPolarHBondContact CA-O 3.27Å; K2-E27 HydrophobicContact CB-CB 4.38Å; K2-E27 WeakPolarHBondContact CD-OE2 3.26Å; K2-E27 WeakPolarHBondContact CE-OE2 3.32Å; K2-E27 HydrophobicContact CG-CB 4.19Å; K2-E27 IonicContact NZ-OE1 3.29Å; K2-E27 PolarHBondContact NZ-OE1 3.21Å; K2-E27 IonicContact NZ-OE2 2.79Å; K2-E27 PolarHBondContact NZ-OE2 3.23Å; L3-E27 PolarHBondContact N-O 2.93Å
28F98.1Very high95.9Very high48 Ų4860.1 Ų60.121%0.21134%0.337CS..EExtended strand (participates in β ladder)trans-97.6117.6173.2-168.8-94.4000110.2L3 Y7 V12 F26 N30L3-F28 HydrophobicContact CB-CD2 4.36Å; L3-F28 HydrophobicContact CD2-CD2 4.22Å; L3-F28 HydrophobicContact CD2-CE2 4.21Å; L3-F28 HydrophobicContact CG-CD2 4.37Å; L3-F28 HydrophobicContact CG-CE2 4.42Å; L3-F28 WeakPolarHBondContact O-CA 3.33Å; Y7-F28 HydrophobicContact CD1-CD1 4.39Å; Y7-F28 AromaticContact CD1-CE1 3.79Å; Y7-F28 HydrophobicContact CD1-CE1 3.79Å; Y7-F28 HydrophobicContact CD1-CZ 4.11Å; Y7-F28 HydrophobicContact CD2-CE1 4.39Å; Y7-F28 AromaticContact CE1-CD1 3.63Å; Y7-F28 HydrophobicContact CE1-CD1 3.63Å; Y7-F28 AromaticContact CE1-CE1 3.48Å; Y7-F28 HydrophobicContact CE1-CE1 3.48Å; Y7-F28 VanDerWaalsContact CE1-CE1 3.48Å; Y7-F28 HydrophobicContact CE1-CG 4.41Å; Y7-F28 HydrophobicContact CE1-CZ 4.15Å; Y7-F28 HydrophobicContact CE2-CD1 4.48Å; Y7-F28 HydrophobicContact CE2-CE1 4.12Å; Y7-F28 HydrophobicContact CG-CE1 4.23Å; Y7-F28 AromaticContact CZ-CD1 3.69Å; Y7-F28 AromaticContact CZ-CE1 3.66Å; V12-F28 HydrophobicContact CG1-CE2 3.45Å; V12-F28 VanDerWaalsContact CG1-CE2 3.45Å; V12-F28 HydrophobicContact CG1-CZ 3.78Å; F26-F28 HydrophobicContact CE2-CB 4.28Å; F26-F28 HydrophobicContact CE2-CD2 4.1Å; F28-N30 HydrophobicContact CD1-CB 4.14Å; F28-N30 HydrophobicContact CE1-CB 3.89Å
29I96.9Very high95.6Very high38 Ų3860.7 Ų60.720%0.19534%0.343CS..EExtended strand (participates in β ladder)trans-97.9108.1173.4-62.4174.8000107.5K2 L3 V4 G5 E31K2-I29 HydrophobicContact CB-CD1 4.14Å; K2-I29 HydrophobicContact CD-CD1 3.48Å; K2-I29 VanDerWaalsContact CD-CD1 3.48Å; K2-I29 HydrophobicContact CD-CG1 4.33Å; K2-I29 HydrophobicContact CG-CD1 4.45Å; L3-I29 PolarHBondContact O-N 3.28Å; V4-I29 WeakPolarHBondContact CA-O 3.42Å; V4-I29 HydrophobicContact CB-CB 4.49Å; V4-I29 HydrophobicContact CG1-CB 4.46Å; V4-I29 HydrophobicContact CG1-CG2 4.33Å; V4-I29 HydrophobicContact CG2-CB 4.16Å; V4-I29 HydrophobicContact CG2-CD1 4.14Å; G5-I29 PolarHBondContact N-O 3.07Å; G5-I29 VanDerWaalsContact O-O 3.14Å; I29-E31 HydrophobicContact CG2-CG 4.16Å; I29-E31 PolarHBondContact O-N 2.99Å
30N95.8Very high95.5Very high75 Ų7560.7 Ų60.740%0.40134%0.343SS..EExtended strand (participates in β ladder)trans-79.4111.2-178.6-17652.8000111.6G5 Y7 F28G5-N30 CarbonylContact O-C 3.53Å; G5-N30 VanDerWaalsContact O-CA 3.23Å; G5-N30 WeakPolarHBondContact O-CA 3.12Å; G5-N30 PolarHBondContact O-OD1 3.09Å; Y7-N30 HydrophobicContact CD2-CB 4.46Å; Y7-N30 VanDerWaalsContact CD2-OD1 3.32Å; Y7-N30 WeakPolarHBondContact CD2-OD1 3.46Å; Y7-N30 HydrophobicContact CE2-CB 3.81Å; Y7-N30 VanDerWaalsContact CE2-CG 3.46Å; F28-N30 HydrophobicContact CD1-CB 4.14Å; F28-N30 HydrophobicContact CE1-CB 3.89Å
31E95.5Very high95.4Very high44 Ų4462 Ų6221%0.20636%0.36CS..  trans-127.2138.4178.6-79.1-73.8-179.200110.7V4 G5 S6 I29 P33 G39 V40V4-E31 HydrophobicContact CG1-CB 4.08Å; V4-E31 HydrophobicContact CG1-CG 3.83Å; G5-E31 CarbonylContact C-O 3.5Å; G5-E31 PolarHBondContact O-N 3.44Å; S6-E31 WeakPolarHBondContact CB-O 3.36Å; S6-E31 PolarHBondContact N-O 3.04Å; I29-E31 HydrophobicContact CG2-CG 4.16Å; I29-E31 PolarHBondContact O-N 2.99Å; E31-P33 WeakPolarHBondContact O-CD 3.34Å; E31-G39 PolarHBondContact OE1-N 2.84Å; E31-G39 PolarHBondContact OE2-N 3.35Å; E31-V40 HydrophobicContact CB-CG2 3.61Å; E31-V40 HydrophobicContact CG-CG2 4.19Å
32L93.6Very high95.3Very high72 Ų7268.4 Ų68.438%0.37739%0.389SS..  trans-107.395.3179.6-67.9170.9000109.1Y34 N35 N38L32-Y34 PolarHBondContact O-N 2.83Å; L32-N35 HydrophobicContact CB-CB 4.24Å; L32-N35 VanDerWaalsContact CD1-ND2 3.34Å; L32-N35 WeakPolarHBondContact CD1-ND2 3.37Å; L32-N35 WeakPolarHBondContact O-CB 3.43Å; L32-N35 PolarHBondContact O-N 2.59Å; L32-N38 WeakPolarHBondContact O-CB 3.43Å
33P93.6Very high95.2Very high30 Ų3070.5 Ų70.520%0.19540%0.399CS..THydrogen-bonded Turntrans-64.4-12.9-170.227.2-38.2000114.7E31 N38 V40 G47 V49E31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-N38 PolarHBondContact O-ND2 3.31Å; P33-V40 HydrophobicContact CB-CG2 4.23Å; P33-G47 WeakPolarHBondContact CB-O 3.45Å; P33-V49 HydrophobicContact CG-CG1 4.43Å; P33-V49 HydrophobicContact CG-CG2 3.96Å
34Y91.7Very high95.2Very high124 Ų12467.6 Ų67.649%0.48637%0.368SS..THydrogen-bonded Turntrans-98.7-3.6178.3-66.5-69.9000113.8L32 L105 R109L32-Y34 PolarHBondContact O-N 2.83Å; Y34-L105 HydrophobicContact CE2-CD1 4.27Å; Y34-R109 VanDerWaalsContact CD1-NH1 3.34Å
35N93.1Very high95.2Very high86 Ų8671.7 Ų71.746%0.4640%0.396SS..SBendtrans-75.8145.3169.3-724.9000109L32 D37 N38L32-N35 HydrophobicContact CB-CB 4.24Å; L32-N35 VanDerWaalsContact CD1-ND2 3.34Å; L32-N35 WeakPolarHBondContact CD1-ND2 3.37Å; L32-N35 WeakPolarHBondContact O-CB 3.43Å; L32-N35 PolarHBondContact O-N 2.59Å; N35-D37 VanDerWaalsContact C-N 3.26Å; N35-D37 PolarHBondContact O-N 3Å; N35-N38 PolarHBondContact O-ND2 3.19Å
36A89.8Confident95.1Very high104 Ų10470.9 Ų70.986%0.8639%0.386SS*.SBendtrans-58.5-42.417900000111.5
37D90.5Very high95.1Very high156 Ų15669.7 Ų69.783%0.83439%0.388SS*.SBendtrans-97.9100.3173.8-58.2-41.2000109N35N35-D37 VanDerWaalsContact C-N 3.26Å; N35-D37 PolarHBondContact O-N 3Å
38N93.1Very high95.1Very high51 Ų5170.8 Ų70.827%0.27339%0.391SS..  trans-141.2150.5170.974.879.8000111.1L32 P33 N35 V40L32-N38 WeakPolarHBondContact O-CB 3.43Å; P33-N38 PolarHBondContact O-ND2 3.31Å; N35-N38 PolarHBondContact O-ND2 3.19Å; N38-V40 HydrophobicContact CB-CG2 4.48Å; N38-V40 WeakPolarHBondContact OD1-CB 3.14Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.23Å; N38-V40 PolarHBondContact OD1-N 2.93Å
39G93.2Very high95.1Very high12 Ų1269.4 Ų69.412%0.12439%0.386CS..SBendtrans-87.8-1.3-177.800000114.7E31 A41 Q42E31-G39 PolarHBondContact OE1-N 2.84Å; E31-G39 PolarHBondContact OE2-N 3.35Å; G39-A41 VanDerWaalsContact C-N 3.28Å; G39-A41 PolarHBondContact O-N 2.98Å; G39-Q42 VanDerWaalsContact O-CB 3.29Å; G39-Q42 WeakPolarHBondContact O-CB 3.2Å; G39-Q42 WeakPolarHBondContact O-CG 3.44Å; G39-Q42 PolarHBondContact O-N 3.31Å
40V96.8Very high95.2Very high0 Ų067.8 Ų67.80%038%0.378CS..G310 helixtrans-61.3-36.1-166.1-1760000112.4E31 P33 N38 Q42 F43 N44 K48 V49E31-V40 HydrophobicContact CB-CG2 3.61Å; E31-V40 HydrophobicContact CG-CG2 4.19Å; P33-V40 HydrophobicContact CB-CG2 4.23Å; N38-V40 HydrophobicContact CB-CG2 4.48Å; N38-V40 WeakPolarHBondContact OD1-CB 3.14Å; N38-V40 WeakPolarHBondContact OD1-CG2 3.23Å; N38-V40 PolarHBondContact OD1-N 2.93Å; V40-Q42 PolarHBondContact O-N 2.94Å; V40-Q42 VanDerWaalsContact O-N 3.13Å; V40-F43 PolarHBondContact O-N 3.34Å; V40-N44 PolarHBondContact O-N 3.04Å; V40-K48 WeakPolarHBondContact CG1-O 3.44Å; V40-V49 HydrophobicContact CB-CG1 4.44Å; V40-V49 HydrophobicContact CG1-CG1 3.75Å; V40-V49 HydrophobicContact CG2-CG1 3.72Å
41A96.2Very high95.3Very high65 Ų6564.2 Ų64.254%0.53736%0.359SS..G310 helixtrans-62.3-19.3179.600000113.9G39 F43 N44G39-A41 VanDerWaalsContact C-N 3.28Å; G39-A41 PolarHBondContact O-N 2.98Å; A41-F43 VanDerWaalsContact C-N 3.3Å; A41-N44 WeakPolarHBondContact CA-O 3.49Å
42Q95.9Very high95.4Very high166 Ų16662.1 Ų62.178%0.77635%0.349SS*.G310 helixtrans-72.9-24.9174.8-57.6178.66.100112.3G39 V40G39-Q42 VanDerWaalsContact O-CB 3.29Å; G39-Q42 WeakPolarHBondContact O-CB 3.2Å; G39-Q42 WeakPolarHBondContact O-CG 3.44Å; G39-Q42 PolarHBondContact O-N 3.31Å; V40-Q42 PolarHBondContact O-N 2.94Å; V40-Q42 VanDerWaalsContact O-N 3.13Å
43F96.7Very high95.7Very high53 Ų5359.4 Ų59.423%0.23234%0.336CS..THydrogen-bonded Turntrans-104.7-35-178.9-54.5-78.9000112.5V4 V40 A41 V51 V53V4-F43 HydrophobicContact CG1-CD2 4.13Å; V4-F43 HydrophobicContact CG1-CE2 4.34Å; V4-F43 HydrophobicContact CG2-CD1 4.37Å; V4-F43 HydrophobicContact CG2-CD2 4.17Å; V4-F43 HydrophobicContact CG2-CE1 4.46Å; V4-F43 HydrophobicContact CG2-CE2 4.27Å; V4-F43 HydrophobicContact CG2-CG 4.22Å; V4-F43 HydrophobicContact CG2-CZ 4.41Å; V40-F43 PolarHBondContact O-N 3.34Å; A41-F43 VanDerWaalsContact C-N 3.3Å; F43-V51 HydrophobicContact CB-CB 4.19Å; F43-V51 HydrophobicContact CB-CG1 3.89Å; F43-V51 HydrophobicContact CB-CG2 4.1Å; F43-V53 HydrophobicContact CD1-CG2 3.83Å; F43-V53 HydrophobicContact CE1-CG2 4.22Å
44N97.7Very high95.9Very high1 Ų158.4 Ų58.41%0.00533%0.329CS..  trans-136.3114.7180174.82000109.6V40 A41 L46 G47 K48 V51 F61V40-N44 PolarHBondContact O-N 3.04Å; A41-N44 WeakPolarHBondContact CA-O 3.49Å; N44-L46 PolarHBondContact O-N 3.29Å; N44-L46 VanDerWaalsContact OD1-CB 3.24Å; N44-L46 WeakPolarHBondContact OD1-CB 3.36Å; N44-L46 WeakPolarHBondContact OD1-CG 3.43Å; N44-L46 PolarHBondContact OD1-N 3.04Å; N44-G47 PolarHBondContact O-N 3.19Å; N44-K48 PolarHBondContact ND2-O 2.98Å; N44-V51 HydrophobicContact CB-CG2 3.5Å; N44-F61 HydrophobicContact CB-CB 4.4Å; N44-F61 HydrophobicContact CB-CD1 3.73Å; N44-F61 HydrophobicContact CB-CE1 4.16Å; N44-F61 HydrophobicContact CB-CG 3.99Å; N44-F61 WeakPolarHBondContact OD1-CD2 3.36Å
45P96.9Very high96Very high107 Ų10760 Ų6070%0.69534%0.341SS*.THydrogen-bonded Turntrans-61.4-16.2-178.226.8-35.2000113.7G47 F61P45-G47 PolarHBondContact O-N 2.95Å; P45-F61 VanDerWaalsContact CD-CZ 3.49Å; P45-F61 HydrophobicContact CG-CE2 4.5Å; P45-F61 HydrophobicContact CG-CZ 4.09Å
46L97.1Very high96.2Very high111 Ų11163.4 Ų63.458%0.58135%0.354SS*.THydrogen-bonded Turntrans-74.3-9.9172.5-55.8175.3000113.3N44 K48N44-L46 PolarHBondContact O-N 3.29Å; N44-L46 VanDerWaalsContact OD1-CB 3.24Å; N44-L46 WeakPolarHBondContact OD1-CB 3.36Å; N44-L46 WeakPolarHBondContact OD1-CG 3.43Å; N44-L46 PolarHBondContact OD1-N 3.04Å; L46-K48 HydrophobicContact CB-CB 4.29Å; L46-K48 HydrophobicContact CB-CD 4.08Å; L46-K48 HydrophobicContact CB-CG 4.22Å; L46-K48 HydrophobicContact CD1-CD 4.48Å; L46-K48 PolarHBondContact O-N 2.92Å
47G96.6Very high96.5Very high23 Ų2360.6 Ų60.624%0.23734%0.336CS..  trans63.624.8-173.700000113.1P33 N44 P45P33-G47 WeakPolarHBondContact CB-O 3.45Å; N44-G47 PolarHBondContact O-N 3.19Å; P45-G47 PolarHBondContact O-N 2.95Å
48K97.7Very high96.8Very high121 Ų12158.1 Ų58.153%0.52632%0.319SS..  trans-110.7145.6-176-73.5171.5178.6-89.10111.5V40 N44 L46V40-K48 WeakPolarHBondContact CG1-O 3.44Å; N44-K48 PolarHBondContact ND2-O 2.98Å; L46-K48 HydrophobicContact CB-CB 4.29Å; L46-K48 HydrophobicContact CB-CD 4.08Å; L46-K48 HydrophobicContact CB-CG 4.22Å; L46-K48 HydrophobicContact CD1-CD 4.48Å; L46-K48 PolarHBondContact O-N 2.92Å
49V98.3Very high97.1Very high18 Ų1857.4 Ų57.411%0.10932%0.317CS..SBendtrans-106.2153.2168.5-58.90000109.5V12 P33 V40V12-V49 HydrophobicContact CG2-CB 3.95Å; V12-V49 HydrophobicContact CG2-CG2 3.79Å; P33-V49 HydrophobicContact CG-CG1 4.43Å; P33-V49 HydrophobicContact CG-CG2 3.96Å; V40-V49 HydrophobicContact CB-CG1 4.44Å; V40-V49 HydrophobicContact CG1-CG1 3.75Å; V40-V49 HydrophobicContact CG2-CG1 3.72Å
50P98.7Very high97.3Very high4 Ų460.7 Ų60.73%0.02633%0.326CS..  cis-73.3158.4230.7-38.2000114.5L3 V4 F11 V12 L15 I66L3-P50 HydrophobicContact CD1-CB 4Å; V4-P50 WeakPolarHBondContact O-CA 3.35Å; F11-P50 HydrophobicContact CB-CG 4.37Å; V12-P50 HydrophobicContact CB-CB 4.5Å; V12-P50 HydrophobicContact CG2-CB 3.77Å; V12-P50 HydrophobicContact CG2-CG 4.44Å; L15-P50 HydrophobicContact CD2-CG 3.93Å; P50-I66 HydrophobicContact CB-CD1 3.89Å; P50-I66 HydrophobicContact CG-CD1 3.78Å
51V98.8Very high97.4Very high0 Ų063.9 Ų63.90%034%0.34CS..EExtended strand (participates in β ladder)trans-129.6134.3159.9-169.20000108.8V4 F43 N44 C59 W60 F61V4-V51 HydrophobicContact CB-CB 4.13Å; V4-V51 HydrophobicContact CG2-CB 4.49Å; V4-V51 PolarHBondContact N-O 2.9Å; V4-V51 PolarHBondContact O-N 3.24Å; F43-V51 HydrophobicContact CB-CB 4.19Å; F43-V51 HydrophobicContact CB-CG1 3.89Å; F43-V51 HydrophobicContact CB-CG2 4.1Å; N44-V51 HydrophobicContact CB-CG2 3.5Å; V51-C59 HydrophobicContact CG1-CB 4.08Å; V51-W60 WeakPolarHBondContact CA-O 3.35Å; V51-W60 WeakPolarHBondContact CG1-O 3.36Å; V51-F61 HydrophobicContact CG1-CD1 4.33Å
52L98.7Very high97.5Very high0 Ų065 Ų650%034%0.337CS..EExtended strand (participates in β ladder)trans-101.7124170.2-167.782.2000109.4M1 K2 L3 L19 C59 W60 I66 Y69 I70M1-L52 HydrophobicContact CE-CD1 4.12Å; M1-L52 HydrophobicContact CE-CD2 4.25Å; K2-L52 CarbonylContact O-C 3.58Å; K2-L52 WeakPolarHBondContact O-CA 3.47Å; K2-L52 WeakPolarHBondContact O-CD1 3.38Å; L3-L52 HydrophobicContact CB-CD1 4.48Å; L3-L52 HydrophobicContact CD1-CD1 4.2Å; L19-L52 HydrophobicContact CD1-CD1 4.4Å; L52-C59 WeakPolarHBondContact O-CA 3.22Å; L52-W60 HydrophobicContact CB-CB 4.37Å; L52-W60 PolarHBondContact N-O 2.94Å; L52-W60 PolarHBondContact O-N 2.83Å; L52-I66 HydrophobicContact CB-CD1 4.3Å; L52-I66 HydrophobicContact CB-CG1 4.01Å; L52-I66 HydrophobicContact CB-CG2 3.74Å; L52-I66 HydrophobicContact CD1-CG2 4.46Å; L52-I66 HydrophobicContact CD2-CG2 4.2Å; L52-I66 HydrophobicContact CG-CG2 4.36Å; L52-Y69 HydrophobicContact CD2-CD1 3.42Å; L52-Y69 VanDerWaalsContact CD2-CD1 3.42Å; L52-Y69 HydrophobicContact CD2-CE1 3.62Å; L52-I70 HydrophobicContact CD2-CG1 4.43Å
53V98.5Very high97.6Very high15 Ų1557.3 Ų57.39%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-104.4120.9175.5-170.30000108.8M1 K2 V4 F43 E58M1-V53 CarbonylContact C-O 3.45Å; M1-V53 WeakPolarHBondContact CA-O 3.24Å; K2-V53 HydrophobicContact CB-CB 4.19Å; K2-V53 PolarHBondContact N-O 3.46Å; K2-V53 PolarHBondContact O-N 3.3Å; V4-V53 HydrophobicContact CG2-CG2 4.07Å; F43-V53 HydrophobicContact CD1-CG2 3.83Å; F43-V53 HydrophobicContact CE1-CG2 4.22Å; V53-E58 CarbonylContact C-O 3.57Å; V53-E58 WeakPolarHBondContact CA-O 3.29Å
54T97.7Very high97.7Very high9 Ų956.6 Ų56.66%0.05530%0.302CS..  trans-72.4174.5177.479.90000111.1E56 G57 E58 Y69T54-E56 VanDerWaalsContact CB-OE2 3.24Å; T54-E56 WeakPolarHBondContact CB-OE2 3.47Å; T54-E56 PolarHBondContact O-N 3.45Å; T54-E56 PolarHBondContact OG1-N 3.28Å; T54-E56 PolarHBondContact OG1-OE2 2.98Å; T54-G57 PolarHBondContact O-N 2.86Å; T54-G57 PolarHBondContact OG1-N 2.7Å; T54-E58 HydrophobicContact CG2-CB 3.93Å; T54-E58 PolarHBondContact N-O 3.19Å; T54-E58 WeakPolarHBondContact OG1-CB 3.3Å; T54-E58 PolarHBondContact OG1-N 3.42Å; T54-Y69 HydrophobicContact CG2-CE1 4.21Å; T54-Y69 HydrophobicContact CG2-CE2 4.4Å; T54-Y69 VanDerWaalsContact CG2-OH 3.31Å; T54-Y69 WeakPolarHBondContact CG2-OH 3.26Å
55E95.1Very high97.7Very high159 Ų15960.4 Ų60.474%0.74332%0.322SS*.THydrogen-bonded Turntrans-69.7-27177.4-59.8-169.3168.500112M1 G57M1-E55 PolarHBondContact N-OE1 3.4Å; E55-G57 VanDerWaalsContact C-N 3.26Å; E55-G57 PolarHBondContact O-N 3.01Å
56E96Very high97.8Very high156 Ų15655.3 Ų55.373%0.72929%0.289SS*.THydrogen-bonded Turntrans-80.5-5.9174.9-52.674.7-161.100113T54T54-E56 VanDerWaalsContact CB-OE2 3.24Å; T54-E56 WeakPolarHBondContact CB-OE2 3.47Å; T54-E56 PolarHBondContact O-N 3.45Å; T54-E56 PolarHBondContact OG1-N 3.28Å; T54-E56 PolarHBondContact OG1-OE2 2.98Å
57G96.5Very high97.9Very high46 Ų4650 Ų5047%0.47426%0.261SS..  trans89.64.3179.900000115.1T54 E55T54-G57 PolarHBondContact O-N 2.86Å; T54-G57 PolarHBondContact OG1-N 2.7Å; E55-G57 VanDerWaalsContact C-N 3.26Å; E55-G57 PolarHBondContact O-N 3.01Å
58E97.5Very high97.9Very high104 Ų10452.5 Ų52.549%0.48627%0.266SS..  trans-65.5139.5174-173.564.4-159.300110V53 T54 W60V53-E58 CarbonylContact C-O 3.57Å; V53-E58 WeakPolarHBondContact CA-O 3.29Å; T54-E58 HydrophobicContact CG2-CB 3.93Å; T54-E58 PolarHBondContact N-O 3.19Å; T54-E58 WeakPolarHBondContact OG1-CB 3.3Å; T54-E58 PolarHBondContact OG1-N 3.42Å; E58-W60 HydrophobicContact CG-CH2 4.49Å; E58-W60 HydrophobicContact CG-CZ2 3.83Å
59C98.3Very high98Very high35 Ų3549.6 Ų49.624%0.23625%0.253CS..EExtended strand (participates in β ladder)trans-113.8118.8-176.4-68.90000111.1V51 L52V51-C59 HydrophobicContact CG1-CB 4.08Å; L52-C59 WeakPolarHBondContact O-CA 3.22Å
60W98.6Very high98Very high82 Ų8248.7 Ų48.731%0.31125%0.247SC..EExtended strand (participates in β ladder)trans-102.2130.8175.6-60107.7000111.6V51 L52 E58 I65 I66 Y69V51-W60 WeakPolarHBondContact CA-O 3.35Å; V51-W60 WeakPolarHBondContact CG1-O 3.36Å; L52-W60 HydrophobicContact CB-CB 4.37Å; L52-W60 PolarHBondContact N-O 2.94Å; L52-W60 PolarHBondContact O-N 2.83Å; E58-W60 HydrophobicContact CG-CH2 4.49Å; E58-W60 HydrophobicContact CG-CZ2 3.83Å; W60-I65 HydrophobicContact CE3-CG2 4.01Å; W60-I66 HydrophobicContact CB-CG1 3.91Å; W60-I66 VanDerWaalsContact O-CD1 3.27Å; W60-I66 WeakPolarHBondContact O-CD1 3.44Å; W60-I66 VanDerWaalsContact O-CG1 3.26Å; W60-I66 WeakPolarHBondContact O-CG1 3.24Å; W60-Y69 AromaticContact CD1-CD2 3.88Å; W60-Y69 AromaticContact CD1-CG 3.83Å; W60-Y69 HydrophobicContact CD2-CD2 4.38Å; W60-Y69 AromaticContact CE2-CD2 3.72Å; W60-Y69 AromaticContact CE2-CE2 3.95Å; W60-Y69 HydrophobicContact CG-CD2 4.46Å; W60-Y69 HydrophobicContact CG-CG 4.34Å; W60-Y69 HydrophobicContact CZ2-CD2 4.17Å; W60-Y69 HydrophobicContact CZ2-CE2 4.3Å; W60-Y69 AromaticContact NE1-CD2 3.36Å; W60-Y69 AromaticContact NE1-CE2 3.32Å; W60-Y69 VanDerWaalsContact NE1-CE2 3.32Å; W60-Y69 AromaticContact NE1-CG 3.82Å; W60-Y69 AromaticContact NE1-CZ 3.75Å
61F98.4Very high97.9Very high67 Ų6749.8 Ų49.829%0.29425%0.252SS..  trans-150.7152.3169.550.3-93.8000108.3N44 P45 V51N44-F61 HydrophobicContact CB-CB 4.4Å; N44-F61 HydrophobicContact CB-CD1 3.73Å; N44-F61 HydrophobicContact CB-CE1 4.16Å; N44-F61 HydrophobicContact CB-CG 3.99Å; N44-F61 WeakPolarHBondContact OD1-CD2 3.36Å; P45-F61 VanDerWaalsContact CD-CZ 3.49Å; P45-F61 HydrophobicContact CG-CE2 4.5Å; P45-F61 HydrophobicContact CG-CZ 4.09Å; V51-F61 HydrophobicContact CG1-CD1 4.33Å
62D97.5Very high97.8Very high88 Ų8855.6 Ų55.647%0.47128%0.283SS..SBendcis-93.8-1600.765.7-18.2000113P64 I65 I66D62-P64 WeakPolarHBondContact OD1-CD 2.97Å; D62-I65 PolarHBondContact O-N 2.93Å; D62-I66 VanDerWaalsContact O-CG1 3.32Å; D62-I66 WeakPolarHBondContact O-CG1 3.33Å; D62-I66 PolarHBondContact O-N 3.32Å
63S98.4Very high97.7Very high5 Ų558.9 Ų58.94%0.03530%0.298CS..Hα-helixtrans-59.1-41.1-169.198.60000114.7K14 I66 A67 D98K14-S63 VanDerWaalsContact CE-OG 3.3Å; K14-S63 WeakPolarHBondContact CE-OG 3.45Å; K14-S63 PolarHBondContact NZ-OG 2.85Å; S63-I66 PolarHBondContact O-N 3.14Å; S63-A67 PolarHBondContact O-N 3.29Å; S63-D98 PolarHBondContact OG-OD2 3.45Å
64P98.3Very high97.6Very high38 Ų3864.5 Ų64.525%0.24733%0.328CS..Hα-helixtrans-68.5-35.4175.2-2236.7000113.7D62 A67 E68D62-P64 WeakPolarHBondContact OD1-CD 2.97Å; P64-A67 PolarHBondContact O-N 2.92Å; P64-E68 PolarHBondContact O-N 3.29Å
65I98.5Very high97.6Very high81 Ų8166.6 Ų66.642%0.41534%0.341SS..Hα-helixtrans-65.2-44.9175.2-63.2-62.4000110.3W60 D62 A67 E68 Y69W60-I65 HydrophobicContact CE3-CG2 4.01Å; D62-I65 PolarHBondContact O-N 2.93Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 3Å; I65-E68 PolarHBondContact O-N 3.19Å; I65-Y69 PolarHBondContact O-N 3.02Å
66I98.8Very high97.7Very high0 Ų062.8 Ų62.80%034%0.337CS..Hα-helixtrans-60.9-41175.4-64.3163.4000110.7L15 P50 L52 W60 D62 S63 Y69 I70L15-I66 HydrophobicContact CB-CG2 4.49Å; L15-I66 HydrophobicContact CD1-CB 4.16Å; L15-I66 HydrophobicContact CD1-CG2 3.75Å; L15-I66 HydrophobicContact CG-CB 4.21Å; L15-I66 HydrophobicContact CG-CG2 3.72Å; P50-I66 HydrophobicContact CB-CD1 3.89Å; P50-I66 HydrophobicContact CG-CD1 3.78Å; L52-I66 HydrophobicContact CB-CD1 4.3Å; L52-I66 HydrophobicContact CB-CG1 4.01Å; L52-I66 HydrophobicContact CB-CG2 3.74Å; L52-I66 HydrophobicContact CD1-CG2 4.46Å; L52-I66 HydrophobicContact CD2-CG2 4.2Å; L52-I66 HydrophobicContact CG-CG2 4.36Å; W60-I66 HydrophobicContact CB-CG1 3.91Å; W60-I66 VanDerWaalsContact O-CD1 3.27Å; W60-I66 WeakPolarHBondContact O-CD1 3.44Å; W60-I66 VanDerWaalsContact O-CG1 3.26Å; W60-I66 WeakPolarHBondContact O-CG1 3.24Å; D62-I66 VanDerWaalsContact O-CG1 3.32Å; D62-I66 WeakPolarHBondContact O-CG1 3.33Å; D62-I66 PolarHBondContact O-N 3.32Å; S63-I66 PolarHBondContact O-N 3.14Å; I66-Y69 PolarHBondContact O-N 3.06Å; I66-I70 HydrophobicContact CG2-CD1 3.79Å; I66-I70 HydrophobicContact CG2-CG1 4.47Å; I66-I70 WeakPolarHBondContact O-CG1 3.42Å; I66-I70 PolarHBondContact O-N 2.86Å
67A98.6Very high97.8Very high0 Ų058.3 Ų58.30%032%0.321CS..Hα-helixtrans-64.1-41.3177.800000112.4L15 L18 S63 P64 I65 I70 E71 L153L15-A67 HydrophobicContact CD1-CB 3.88Å; L18-A67 HydrophobicContact CD2-CB 4.07Å; S63-A67 PolarHBondContact O-N 3.29Å; P64-A67 PolarHBondContact O-N 2.92Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 3Å; A67-I70 PolarHBondContact O-N 2.86Å; A67-E71 PolarHBondContact O-N 3.11Å; A67-E71 VanDerWaalsContact O-N 3.09Å; A67-L153 HydrophobicContact CB-CD1 3.87Å; A67-L153 HydrophobicContact CB-CD2 3.87Å
68E97.8Very high97.9Very high74 Ų7459.5 Ų59.535%0.34633%0.327SS..Hα-helixtrans-60.8-47.5171.6-177.365.4-158.900111.6P64 I65 I70 E71 L72 R91P64-E68 PolarHBondContact O-N 3.29Å; I65-E68 PolarHBondContact O-N 3.19Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 3.38Å; E68-E71 PolarHBondContact O-N 3Å; E68-E71 VanDerWaalsContact O-N 3.07Å; E68-L72 HydrophobicContact CG-CD1 4.13Å; E68-L72 HydrophobicContact CG-CG 4.4Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.49Å; E68-R91 IonicContact OE2-CZ 3.51Å; E68-R91 VanDerWaalsContact OE2-CZ 3.23Å; E68-R91 IonicContact OE2-NE 3.4Å; E68-R91 PolarHBondContact OE2-NE 3.18Å; E68-R91 IonicContact OE2-NH2 2.59Å; E68-R91 PolarHBondContact OE2-NH2 3.46Å
69Y98.1Very high97.9Very high60 Ų6054.7 Ų54.724%0.23530%0.304CS..Hα-helixtrans-56.8-43.8177.8178-95000112L52 T54 W60 I65 I66 E71 L72 M73L52-Y69 HydrophobicContact CD2-CD1 3.42Å; L52-Y69 VanDerWaalsContact CD2-CD1 3.42Å; L52-Y69 HydrophobicContact CD2-CE1 3.62Å; T54-Y69 HydrophobicContact CG2-CE1 4.21Å; T54-Y69 HydrophobicContact CG2-CE2 4.4Å; T54-Y69 VanDerWaalsContact CG2-OH 3.31Å; T54-Y69 WeakPolarHBondContact CG2-OH 3.26Å; W60-Y69 AromaticContact CD1-CD2 3.88Å; W60-Y69 AromaticContact CD1-CG 3.83Å; W60-Y69 HydrophobicContact CD2-CD2 4.38Å; W60-Y69 AromaticContact CE2-CD2 3.72Å; W60-Y69 AromaticContact CE2-CE2 3.95Å; W60-Y69 HydrophobicContact CG-CD2 4.46Å; W60-Y69 HydrophobicContact CG-CG 4.34Å; W60-Y69 HydrophobicContact CZ2-CD2 4.17Å; W60-Y69 HydrophobicContact CZ2-CE2 4.3Å; W60-Y69 AromaticContact NE1-CD2 3.36Å; W60-Y69 AromaticContact NE1-CE2 3.32Å; W60-Y69 VanDerWaalsContact NE1-CE2 3.32Å; W60-Y69 AromaticContact NE1-CG 3.82Å; W60-Y69 AromaticContact NE1-CZ 3.75Å; I65-Y69 PolarHBondContact O-N 3.02Å; I66-Y69 PolarHBondContact O-N 3.06Å; Y69-E71 VanDerWaalsContact C-N 3.33Å; Y69-E71 PolarHBondContact O-N 3.22Å; Y69-L72 WeakPolarHBondContact O-CB 3.29Å; Y69-L72 PolarHBondContact O-N 3.49Å; Y69-M73 HydrophobicContact CE1-CG 4.38Å; Y69-M73 HydrophobicContact CE1-SD 4.17Å; Y69-M73 WeakPolarHBondContact O-CG 3.44Å; Y69-M73 PolarHBondContact O-N 3.14Å
70I98.3Very high97.9Very high0 Ų053.8 Ų53.80%030%0.297CS..Hα-helixtrans-63.4-37.2176.9-70.1162.9000111.9L15 L18 L19 K22 I24 L52 I66 A67 E68 M73L15-I70 HydrophobicContact CD1-CD1 3.98Å; L18-I70 HydrophobicContact CD2-CB 3.97Å; L18-I70 HydrophobicContact CD2-CD1 3.94Å; L18-I70 HydrophobicContact CD2-CG2 3.75Å; L18-I70 HydrophobicContact CG-CG2 3.96Å; L19-I70 HydrophobicContact CD1-CD1 4.45Å; L19-I70 HydrophobicContact CD2-CD1 3.73Å; L19-I70 HydrophobicContact CD2-CG1 3.93Å; L19-I70 HydrophobicContact CD2-CG2 4.37Å; L19-I70 HydrophobicContact CG-CD1 3.89Å; K22-I70 HydrophobicContact CD-CG2 3.58Å; I24-I70 HydrophobicContact CD1-CG2 4.2Å; L52-I70 HydrophobicContact CD2-CG1 4.43Å; I66-I70 HydrophobicContact CG2-CD1 3.79Å; I66-I70 HydrophobicContact CG2-CG1 4.47Å; I66-I70 WeakPolarHBondContact O-CG1 3.42Å; I66-I70 PolarHBondContact O-N 2.86Å; A67-I70 PolarHBondContact O-N 2.86Å; E68-I70 VanDerWaalsContact C-N 3.29Å; E68-I70 PolarHBondContact O-N 3.38Å; I70-M73 WeakPolarHBondContact O-CB 3.46Å; I70-M73 PolarHBondContact O-N 2.81Å
71E97.8Very high97.8Very high26 Ų2652.5 Ų52.512%0.12130%0.299CS..Hα-helixtrans-69.8-36.2174.9-74.4-63.8106.900112.1K22 A67 E68 Y69 M73 N74 M79 L80K22-E71 WeakPolarHBondContact CE-OE1 3.41Å; K22-E71 IonicContact NZ-OE1 2.69Å; K22-E71 PolarHBondContact NZ-OE1 3.48Å; A67-E71 PolarHBondContact O-N 3.11Å; A67-E71 VanDerWaalsContact O-N 3.09Å; E68-E71 PolarHBondContact O-N 3Å; E68-E71 VanDerWaalsContact O-N 3.07Å; Y69-E71 VanDerWaalsContact C-N 3.33Å; Y69-E71 PolarHBondContact O-N 3.22Å; E71-M73 PolarHBondContact O-N 3.49Å; E71-N74 PolarHBondContact O-N 3.07Å; E71-M79 WeakPolarHBondContact OE1-CB 3.45Å; E71-M79 PolarHBondContact OE1-N 2.82Å; E71-M79 PolarHBondContact OE2-N 2.96Å; E71-L80 HydrophobicContact CB-CD1 4.36Å; E71-L80 HydrophobicContact CG-CB 4.44Å; E71-L80 HydrophobicContact CG-CD1 3.84Å; E71-L80 HydrophobicContact CG-CG 4.08Å; E71-L80 PolarHBondContact OE2-N 2.98Å
72L96.8Very high97.7Very high123 Ų12360.4 Ų60.464%0.64433%0.327SS*.Hα-helixtrans-64.7-20.5175.1-70.4173.2000113.4E68 Y69 N74E68-L72 HydrophobicContact CG-CD1 4.13Å; E68-L72 HydrophobicContact CG-CG 4.4Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.49Å; Y69-L72 WeakPolarHBondContact O-CB 3.29Å; Y69-L72 PolarHBondContact O-N 3.49Å; L72-N74 PolarHBondContact O-N 2.76Å
73M96.7Very high97.7Very high68 Ų6860.1 Ų60.134%0.33533%0.325SS..THydrogen-bonded Turntrans-65.3-13.5170.3-60.9176.168.900112.9M1 I24 Y69 I70 E71 V75M1-M73 HydrophobicContact CE-CE 4.27Å; M1-M73 HydrophobicContact CE-SD 4.09Å; M1-M73 HydrophobicContact SD-CE 3.55Å; M1-M73 VanDerWaalsContact SD-CE 3.55Å; M1-M73 HydrophobicContact SD-SD 3.72Å; I24-M73 HydrophobicContact CD1-CE 4.16Å; I24-M73 HydrophobicContact CD1-SD 4.08Å; I24-M73 HydrophobicContact CG2-CE 4.39Å; Y69-M73 HydrophobicContact CE1-CG 4.38Å; Y69-M73 HydrophobicContact CE1-SD 4.17Å; Y69-M73 WeakPolarHBondContact O-CG 3.44Å; Y69-M73 PolarHBondContact O-N 3.14Å; I70-M73 WeakPolarHBondContact O-CB 3.46Å; I70-M73 PolarHBondContact O-N 2.81Å; E71-M73 PolarHBondContact O-N 3.49Å; M73-V75 HydrophobicContact CB-CG2 4.2Å; M73-V75 PolarHBondContact O-N 3.01Å; M73-V75 VanDerWaalsContact O-N 3.17Å
74N95.9Very high97.6Very high133 Ų13364.9 Ų64.971%0.71136%0.356SS*.THydrogen-bonded Turntrans54.835.3174.4-167.341.7000114E71 L72E71-N74 PolarHBondContact O-N 3.07Å; L72-N74 PolarHBondContact O-N 2.76Å
75V97.7Very high97.6Very high54 Ų5467.6 Ų67.633%0.32737%0.368SS..PPolyproline II helixtrans-88.5137.1172.9-177.30000109.1K22 I24 M73K22-V75 HydrophobicContact CB-CG1 4.28Å; K22-V75 WeakPolarHBondContact CE-O 3.29Å; K22-V75 PolarHBondContact NZ-O 3.29Å; K22-V75 VanDerWaalsContact O-CG1 3.23Å; K22-V75 WeakPolarHBondContact O-CG1 3.43Å; I24-V75 HydrophobicContact CD1-CB 4.18Å; I24-V75 HydrophobicContact CD1-CG1 4.5Å; I24-V75 HydrophobicContact CD1-CG2 4.16Å; I24-V75 HydrophobicContact CG1-CB 4.37Å; I24-V75 HydrophobicContact CG1-CG1 4.17Å; I24-V75 HydrophobicContact CG1-CG2 4.33Å; M73-V75 HydrophobicContact CB-CG2 4.2Å; M73-V75 PolarHBondContact O-N 3.01Å; M73-V75 VanDerWaalsContact O-N 3.17Å
76A97.7Very high97.6Very high79 Ų7967.7 Ų67.765%0.65337%0.367SS*.SBendtrans-75.8152.6177.700000112.1
77P97.7Very high97.6Very high62 Ų6268.5 Ų68.540%0.40337%0.372SS..SBendcis-76.5155.6-5.333.3-33.8000111.6E21 K22 M79E21-P77 VanDerWaalsContact O-CD 3.22Å; E21-P77 WeakPolarHBondContact O-CD 3.49Å; K22-P77 PolarHBondContact NZ-O 3.45Å; P77-M79 HydrophobicContact CG-CE 3.76Å; P77-M79 HydrophobicContact CG-SD 4.48Å
78A97.7Very high97.5Very high71 Ų7173.7 Ų73.759%0.58740%0.399SS*.PPolyproline II helixtrans-69.4130.8170.800000109.4
79M98.3Very high97.6Very high3 Ų376.2 Ų76.22%0.01541%0.406CS..SBendtrans-103.9-6.6178.9-60.4-68-165.100112.1L18 E21 K22 E71 P77 N152 L153 I156L18-M79 HydrophobicContact CD1-CB 3.75Å; L18-M79 HydrophobicContact CD1-CG 3.5Å; E21-M79 HydrophobicContact CB-CE 3.24Å; E21-M79 HydrophobicContact CG-CE 3.92Å; K22-M79 HydrophobicContact CG-CE 4.45Å; E71-M79 WeakPolarHBondContact OE1-CB 3.45Å; E71-M79 PolarHBondContact OE1-N 2.82Å; E71-M79 PolarHBondContact OE2-N 2.96Å; P77-M79 HydrophobicContact CG-CE 3.76Å; P77-M79 HydrophobicContact CG-SD 4.48Å; M79-N152 WeakPolarHBondContact O-CB 3.38Å; M79-L153 HydrophobicContact CB-CB 4.42Å; M79-L153 PolarHBondContact O-N 3.49Å; M79-L153 VanDerWaalsContact O-N 3.14Å; M79-I156 HydrophobicContact CE-CD1 4.28Å; M79-I156 HydrophobicContact SD-CD1 4.32Å
80L98.1Very high97.6Very high15 Ų1574.1 Ų74.18%0.07940%0.399CS..SBendtrans-126.1146.9168.9-67.6173.6000111.4E71 V90 R91 L153E71-L80 HydrophobicContact CB-CD1 4.36Å; E71-L80 HydrophobicContact CG-CB 4.44Å; E71-L80 HydrophobicContact CG-CD1 3.84Å; E71-L80 HydrophobicContact CG-CG 4.08Å; E71-L80 PolarHBondContact OE2-N 2.98Å; L80-V90 HydrophobicContact CD2-CB 3.84Å; L80-V90 HydrophobicContact CD2-CG1 3.64Å; L80-R91 HydrophobicContact CD1-CG 4.5Å; L80-R91 HydrophobicContact CD2-CG 4.15Å; L80-L153 HydrophobicContact CD1-CD2 4.21Å; L80-L153 HydrophobicContact CD2-CB 4.11Å; L80-L153 HydrophobicContact CD2-CD2 4.01Å; L80-L153 HydrophobicContact CG-CD2 4.27Å
81P96.5Very high97.6Very high55 Ų5575.9 Ų75.936%0.35741%0.406SS..  trans-56.4149165-23.432.3000112D83 E86 V90P81-D83 VanDerWaalsContact C-N 3.35Å; P81-E86 HydrophobicContact CB-CB 3.86Å; P81-E86 HydrophobicContact CG-CB 4.05Å; P81-V90 HydrophobicContact CG-CG2 4Å
82R95.5Very high97.6Very high233 Ų23380.2 Ų80.288%0.87942%0.424SS*.SBendtrans-73.1-28.4172.9-69.9-176.1177172.7-0.8113.2P84R82-P84 WeakPolarHBondContact O-CD 3.38Å
83D97.6Very high97.7Very high83 Ų8374.9 Ų74.944%0.44440%0.396SS..SBendtrans-67125.5175.2177.6-91.1000109.3P81 L85 E86 S87P81-D83 VanDerWaalsContact C-N 3.35Å; D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 3.33Å; D83-L85 WeakPolarHBondContact OD1-CA 3.32Å; D83-L85 WeakPolarHBondContact OD1-CB 3.32Å; D83-L85 PolarHBondContact OD1-N 3.28Å; D83-E86 HydrophobicContact CB-CB 4.1Å; D83-E86 HydrophobicContact CB-CG 4.18Å; D83-E86 PolarHBondContact O-N 3.3Å; D83-E86 PolarHBondContact OD1-N 3.25Å; D83-S87 WeakPolarHBondContact O-CB 3.31Å; D83-S87 PolarHBondContact O-N 2.89Å
84P97.6Very high97.8Very high104 Ų10471.9 Ų71.968%0.67538%0.381SS*.Hα-helixtrans-60.9-36-175.5-26.535.3000113.9R82 L88R82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-L88 WeakPolarHBondContact O-CB 3.38Å; P84-L88 PolarHBondContact O-N 3.09Å
85L98.1Very high98Very high96 Ų9668.4 Ų68.450%0.50337%0.372SS..Hα-helixtrans-73.7-42.7-178.8-177.960.3000110.6D83 S87 L88 R89D83-L85 VanDerWaalsContact C-N 3.3Å; D83-L85 PolarHBondContact O-N 3.33Å; D83-L85 WeakPolarHBondContact OD1-CA 3.32Å; D83-L85 WeakPolarHBondContact OD1-CB 3.32Å; D83-L85 PolarHBondContact OD1-N 3.28Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 PolarHBondContact O-N 2.94Å; L85-R89 WeakPolarHBondContact O-CG 3.47Å; L85-R89 PolarHBondContact O-N 3.38Å
86E98.1Very high98Very high83 Ų8367.7 Ų67.739%0.38837%0.366SS..Hα-helixtrans-67.9-35.5175.6-63-54.2117.500112.1P81 D83 L88 R89 V90P81-E86 HydrophobicContact CB-CB 3.86Å; P81-E86 HydrophobicContact CG-CB 4.05Å; D83-E86 HydrophobicContact CB-CB 4.1Å; D83-E86 HydrophobicContact CB-CG 4.18Å; D83-E86 PolarHBondContact O-N 3.3Å; D83-E86 PolarHBondContact OD1-N 3.25Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.33Å; E86-R89 WeakPolarHBondContact O-CB 3.17Å; E86-R89 PolarHBondContact O-N 2.92Å; E86-R89 WeakPolarHBondContact OE1-CD 3.37Å; E86-R89 IonicContact OE1-CZ 3.98Å; E86-R89 IonicContact OE1-NE 2.91Å; E86-R89 PolarHBondContact OE1-NE 3.29Å; E86-R89 WeakPolarHBondContact OE2-CD 3.28Å; E86-R89 IonicContact OE2-NE 3.82Å; E86-V90 PolarHBondContact O-N 3.24Å; E86-V90 VanDerWaalsContact O-N 3.14Å
87S98.1Very high98.1Very high16 Ų1664 Ų6411%0.11234%0.335CS..Hα-helixtrans-57.5-47.3168.7-177.80000111.3D83 L85 R89 V90 R91D83-S87 WeakPolarHBondContact O-CB 3.31Å; D83-S87 PolarHBondContact O-N 2.89Å; L85-S87 VanDerWaalsContact C-N 3.35Å; S87-R89 VanDerWaalsContact C-N 3.26Å; S87-R89 PolarHBondContact O-N 3.28Å; S87-V90 PolarHBondContact O-N 2.82Å; S87-V90 VanDerWaalsContact O-N 3.11Å; S87-R91 WeakPolarHBondContact O-CG 3.46Å; S87-R91 PolarHBondContact O-N 3.47Å
88L98.2Very high98.1Very high110 Ų11061.7 Ų61.758%0.57632%0.319SS*.Hα-helixtrans-62.4-32.5177.4-172.260.9000112.4P84 L85 E86 R91 K92P84-L88 WeakPolarHBondContact O-CB 3.38Å; P84-L88 PolarHBondContact O-N 3.09Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 PolarHBondContact O-N 2.94Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.33Å; L88-R91 PolarHBondContact O-N 2.92Å; L88-K92 PolarHBondContact O-N 2.54Å
89R98.4Very high98.2Very high126 Ų12659.8 Ų59.848%0.47531%0.306SS..Hα-helixtrans-64.4-42.9173.3-67.7-177.9-166.9-68.5-4.5112.3L85 E86 S87 K92 I93L85-R89 WeakPolarHBondContact O-CG 3.47Å; L85-R89 PolarHBondContact O-N 3.38Å; E86-R89 WeakPolarHBondContact O-CB 3.17Å; E86-R89 PolarHBondContact O-N 2.92Å; E86-R89 WeakPolarHBondContact OE1-CD 3.37Å; E86-R89 IonicContact OE1-CZ 3.98Å; E86-R89 IonicContact OE1-NE 2.91Å; E86-R89 PolarHBondContact OE1-NE 3.29Å; E86-R89 WeakPolarHBondContact OE2-CD 3.28Å; E86-R89 IonicContact OE2-NE 3.82Å; S87-R89 VanDerWaalsContact C-N 3.26Å; S87-R89 PolarHBondContact O-N 3.28Å; R89-K92 WeakPolarHBondContact O-CB 3.39Å; R89-K92 PolarHBondContact O-N 2.76Å; R89-I93 PolarHBondContact O-N 3.4Å
90V98.5Very high98.2Very high17 Ų1759.6 Ų59.610%0.10331%0.305CS..Hα-helixtrans-63.9-44.7174.51790000110.1L80 P81 E86 S87 K92 I93 E94 L153 A154L80-V90 HydrophobicContact CD2-CB 3.84Å; L80-V90 HydrophobicContact CD2-CG1 3.64Å; P81-V90 HydrophobicContact CG-CG2 4Å; E86-V90 PolarHBondContact O-N 3.24Å; E86-V90 VanDerWaalsContact O-N 3.14Å; S87-V90 PolarHBondContact O-N 2.82Å; S87-V90 VanDerWaalsContact O-N 3.11Å; V90-K92 VanDerWaalsContact C-N 3.29Å; V90-K92 PolarHBondContact O-N 3.33Å; V90-I93 WeakPolarHBondContact O-CB 3.42Å; V90-I93 PolarHBondContact O-N 3.37Å; V90-E94 PolarHBondContact O-N 3.19Å; V90-L153 HydrophobicContact CG1-CB 4.47Å; V90-A154 HydrophobicContact CG1-CB 3.65Å
91R98.7Very high98.3Very high37 Ų3758.9 Ų58.914%0.1430%0.302CS..Hα-helixtrans-62.4-32.1177.1-69.2-171.6164.8-67.1-1.5113.8E68 L80 S87 L88 I93 E94 A95E68-R91 IonicContact OE2-CZ 3.51Å; E68-R91 VanDerWaalsContact OE2-CZ 3.23Å; E68-R91 IonicContact OE2-NE 3.4Å; E68-R91 PolarHBondContact OE2-NE 3.18Å; E68-R91 IonicContact OE2-NH2 2.59Å; E68-R91 PolarHBondContact OE2-NH2 3.46Å; L80-R91 HydrophobicContact CD1-CG 4.5Å; L80-R91 HydrophobicContact CD2-CG 4.15Å; S87-R91 WeakPolarHBondContact O-CG 3.46Å; S87-R91 PolarHBondContact O-N 3.47Å; L88-R91 PolarHBondContact O-N 2.92Å; R91-I93 VanDerWaalsContact C-N 3.29Å; R91-I93 PolarHBondContact O-N 3.46Å; R91-E94 IonicContact NH1-OE2 3.92Å; R91-E94 PolarHBondContact NH1-OE2 3.49Å; R91-E94 WeakPolarHBondContact O-CB 3.32Å; R91-E94 PolarHBondContact O-N 3.28Å; R91-A95 WeakPolarHBondContact O-CB 3.42Å; R91-A95 PolarHBondContact O-N 3.01Å
92K98.6Very high98.4Very high117 Ų11760.3 Ų60.351%0.50931%0.306SS..Hα-helixtrans-61.8-39.2172.3-173-168.367.5167.40111.6L88 R89 V90 A95 L96 Y140L88-K92 PolarHBondContact O-N 2.54Å; R89-K92 WeakPolarHBondContact O-CB 3.39Å; R89-K92 PolarHBondContact O-N 2.76Å; V90-K92 VanDerWaalsContact C-N 3.29Å; V90-K92 PolarHBondContact O-N 3.33Å; K92-A95 PolarHBondContact O-N 3.35Å; K92-L96 PolarHBondContact O-N 2.87Å; K92-L96 VanDerWaalsContact O-N 3.13Å; K92-Y140 PolarHBondContact NZ-OH 3.44Å
93I98.7Very high98.5Very high11 Ų1149.3 Ų49.36%0.05627%0.265CS..Hα-helixtrans-73.4-38.5177.2-57175000110.4R89 V90 R91 A95 L96 A97 L137 Y140 T145 L146 A154 I158R89-I93 PolarHBondContact O-N 3.4Å; V90-I93 WeakPolarHBondContact O-CB 3.42Å; V90-I93 PolarHBondContact O-N 3.37Å; R91-I93 VanDerWaalsContact C-N 3.29Å; R91-I93 PolarHBondContact O-N 3.46Å; I93-A95 VanDerWaalsContact C-N 3.32Å; I93-A95 PolarHBondContact O-N 2.78Å; I93-L96 WeakPolarHBondContact O-CB 3.48Å; I93-L96 PolarHBondContact O-N 2.9Å; I93-A97 PolarHBondContact O-N 2.89Å; I93-L137 HydrophobicContact CG2-CD2 3.87Å; I93-Y140 HydrophobicContact CD1-CD2 4.1Å; I93-Y140 HydrophobicContact CD1-CE2 4.25Å; I93-Y140 HydrophobicContact CG1-CD2 4.16Å; I93-Y140 HydrophobicContact CG1-CE2 3.9Å; I93-T145 HydrophobicContact CD1-CG2 4.27Å; I93-L146 HydrophobicContact CD1-CD1 4.39Å; I93-L146 HydrophobicContact CD1-CD2 3.95Å; I93-L146 HydrophobicContact CD1-CG 4.17Å; I93-L146 HydrophobicContact CG2-CD1 4.17Å; I93-A154 HydrophobicContact CB-CB 3.76Å; I93-A154 HydrophobicContact CG2-CB 3.76Å; I93-I158 HydrophobicContact CG2-CD1 3.88Å; I93-I158 HydrophobicContact CG2-CG1 4.5Å
94E98.8Very high98.6Very high4 Ų445.3 Ų45.32%0.01924%0.244CC..Hα-helixtrans-53.7-49.7168.5177.6-168-160.100110.8K14 V90 R91 L96 A97 D98 L153 A157K14-E94 IonicContact NZ-OE1 3.05Å; K14-E94 PolarHBondContact NZ-OE1 3.01Å; V90-E94 PolarHBondContact O-N 3.19Å; R91-E94 IonicContact NH1-OE2 3.92Å; R91-E94 PolarHBondContact NH1-OE2 3.49Å; R91-E94 WeakPolarHBondContact O-CB 3.32Å; R91-E94 PolarHBondContact O-N 3.28Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 2.79Å; E94-A97 WeakPolarHBondContact O-CB 3.28Å; E94-A97 PolarHBondContact O-N 3.34Å; E94-D98 PolarHBondContact O-N 3.34Å; E94-L153 HydrophobicContact CB-CG 4.48Å; E94-L153 HydrophobicContact CG-CD2 4.49Å; E94-L153 HydrophobicContact CG-CG 4.22Å; E94-L153 VanDerWaalsContact OE2-CD2 3.29Å; E94-L153 WeakPolarHBondContact OE2-CD2 3.37Å; E94-A157 HydrophobicContact CG-CB 4.17Å
95A98.8Very high98.6Very high61 Ų6141.9 Ų41.950%0.50422%0.219SC..Hα-helixtrans-61.2-34179.200000112.7R91 K92 I93 G99R91-A95 WeakPolarHBondContact O-CB 3.42Å; R91-A95 PolarHBondContact O-N 3.01Å; K92-A95 PolarHBondContact O-N 3.35Å; I93-A95 VanDerWaalsContact C-N 3.32Å; I93-A95 PolarHBondContact O-N 2.78Å; A95-G99 PolarHBondContact O-N 3.33Å
96L98.8Very high98.6Very high39 Ų3939.9 Ų39.920%0.20421%0.211CC..Hα-helixtrans-65-42.4173.5-17563.5000111.5K92 I93 E94 G99 I100 S133 V136 L137 Y140K92-L96 PolarHBondContact O-N 2.87Å; K92-L96 VanDerWaalsContact O-N 3.13Å; I93-L96 WeakPolarHBondContact O-CB 3.48Å; I93-L96 PolarHBondContact O-N 2.9Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 2.79Å; L96-G99 PolarHBondContact O-N 3.44Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.95Å; L96-S133 WeakPolarHBondContact CD1-OG 3.09Å; L96-V136 HydrophobicContact CD2-CB 4.06Å; L96-V136 HydrophobicContact CD2-CG1 3.61Å; L96-L137 HydrophobicContact CD2-CD2 3.74Å; L96-L137 HydrophobicContact CD2-CG 3.93Å; L96-L137 HydrophobicContact CG-CD2 4.47Å; L96-Y140 HydrophobicContact CD2-CE2 4.35Å
97A98.9Very high98.6Very high0 Ų036.3 Ų36.30%020%0.195CC..Hα-helixtrans-68.5-41.9176.400000112.4I93 E94 G99 I100 M101 A157 I158 A161I93-A97 PolarHBondContact O-N 2.89Å; E94-A97 WeakPolarHBondContact O-CB 3.28Å; E94-A97 PolarHBondContact O-N 3.34Å; A97-G99 VanDerWaalsContact C-N 3.27Å; A97-G99 PolarHBondContact O-N 3.05Å; A97-I100 WeakPolarHBondContact O-CB 3.47Å; A97-I100 PolarHBondContact O-N 3.3Å; A97-I100 VanDerWaalsContact O-N 3.1Å; A97-M101 HydrophobicContact CB-CE 4.44Å; A97-M101 PolarHBondContact O-N 3.42Å; A97-A157 HydrophobicContact CB-CB 3.67Å; A97-I158 HydrophobicContact CB-CG1 4.05Å; A97-A161 HydrophobicContact CB-CB 4.49Å
98D98.9Very high98.6Very high15 Ų1536.8 Ų36.88%0.0820%0.197CC..Hα-helixtrans-60.9-38.9173.6-774.9000110.6F11 K14 S63 E94 I100 M101 D102F11-D98 HydrophobicContact CE1-CB 4.23Å; K14-D98 IonicContact NZ-OD1 3.47Å; K14-D98 PolarHBondContact NZ-OD1 2.85Å; K14-D98 IonicContact NZ-OD2 2.75Å; K14-D98 PolarHBondContact NZ-OD2 3.46Å; S63-D98 PolarHBondContact OG-OD2 3.45Å; E94-D98 PolarHBondContact O-N 3.34Å; D98-I100 VanDerWaalsContact C-N 3.3Å; D98-I100 PolarHBondContact O-N 3.05Å; D98-M101 CarbonylContact O-C 3.59Å; D98-M101 WeakPolarHBondContact O-CA 3.3Å; D98-M101 WeakPolarHBondContact O-CB 3.43Å; D98-M101 PolarHBondContact O-N 2.73Å; D98-M101 WeakPolarHBondContact OD1-CE 3.45Å; D98-D102 PolarHBondContact O-N 3.03Å
99G98.9Very high98.5Very high30 Ų3036.9 Ų36.931%0.30919%0.19SC..Hα-helixtrans-62.8-31.2173.400000114.3A95 L96 A97 A103A95-G99 PolarHBondContact O-N 3.33Å; L96-G99 PolarHBondContact O-N 3.44Å; A97-G99 VanDerWaalsContact C-N 3.27Å; A97-G99 PolarHBondContact O-N 3.05Å; G99-A103 PolarHBondContact O-N 3.33Å; G99-A103 VanDerWaalsContact O-N 3.13Å
100I98.9Very high98.5Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-68-43.5170.2-65.5167.5000110L96 A97 D98 D102 A103 G104 I130 S133 L134 L137 A161 L165L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.95Å; A97-I100 WeakPolarHBondContact O-CB 3.47Å; A97-I100 PolarHBondContact O-N 3.3Å; A97-I100 VanDerWaalsContact O-N 3.1Å; D98-I100 VanDerWaalsContact C-N 3.3Å; D98-I100 PolarHBondContact O-N 3.05Å; I100-D102 VanDerWaalsContact C-N 3.34Å; I100-D102 PolarHBondContact O-N 3.42Å; I100-A103 PolarHBondContact O-N 3.37Å; I100-G104 PolarHBondContact O-N 3.5Å; I100-I130 HydrophobicContact CG2-CG1 4.35Å; I100-I130 HydrophobicContact CG2-CG2 4.29Å; I100-S133 VanDerWaalsContact CG1-CB 3.48Å; I100-L134 HydrophobicContact CD1-CD2 4.05Å; I100-L134 HydrophobicContact CD1-CG 4.26Å; I100-L137 HydrophobicContact CD1-CD1 3.69Å; I100-A161 HydrophobicContact CB-CB 4.1Å; I100-A161 HydrophobicContact CG2-CB 3.93Å; I100-L165 HydrophobicContact CG2-CD1 3.87Å; I100-L165 HydrophobicContact CG2-CD2 4.37Å; I100-L165 HydrophobicContact CG2-CG 4.28Å
101M98.8Very high98.4Very high0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-61.7-41.8177-63.6-179.3-135.600111.6P10 F11 A97 D98 G104 L105 A157 C160 A161P10-M101 HydrophobicContact CB-CG 4.04Å; P10-M101 HydrophobicContact CB-SD 3.61Å; P10-M101 HydrophobicContact CG-CB 3.99Å; P10-M101 HydrophobicContact CG-CG 3.93Å; P10-M101 HydrophobicContact CG-SD 3.8Å; F11-M101 HydrophobicContact CD1-CB 4.42Å; F11-M101 HydrophobicContact CD1-SD 3.83Å; F11-M101 HydrophobicContact CE1-CB 3.62Å; F11-M101 HydrophobicContact CE1-CG 4.37Å; F11-M101 HydrophobicContact CE1-SD 3.91Å; F11-M101 HydrophobicContact CE2-CB 4.13Å; F11-M101 HydrophobicContact CG-SD 4.36Å; F11-M101 HydrophobicContact CZ-CB 3.44Å; F11-M101 VanDerWaalsContact CZ-CB 3.44Å; F11-M101 HydrophobicContact CZ-SD 4.49Å; A97-M101 HydrophobicContact CB-CE 4.44Å; A97-M101 PolarHBondContact O-N 3.42Å; D98-M101 CarbonylContact O-C 3.59Å; D98-M101 WeakPolarHBondContact O-CA 3.3Å; D98-M101 WeakPolarHBondContact O-CB 3.43Å; D98-M101 PolarHBondContact O-N 2.73Å; D98-M101 WeakPolarHBondContact OD1-CE 3.45Å; M101-G104 PolarHBondContact O-N 3Å; M101-L105 WeakPolarHBondContact O-CB 3.47Å; M101-L105 PolarHBondContact O-N 3.16Å; M101-A157 HydrophobicContact CE-CB 4.21Å; M101-A157 WeakPolarHBondContact CE-O 3.34Å; M101-C160 HydrophobicContact CE-CB 4.01Å; M101-A161 HydrophobicContact CE-CB 4.05Å; M101-A161 HydrophobicContact CG-CB 3.78Å
102D98.8Very high98.2Very high85 Ų8537.3 Ų37.346%0.45521%0.21SC..Hα-helixtrans-60.1-51.1175.5-79.5-27.7000111.8F11 D98 I100 G104 L105 V106F11-D102 WeakPolarHBondContact CZ-OD1 3.45Å; D98-D102 PolarHBondContact O-N 3.03Å; I100-D102 VanDerWaalsContact C-N 3.34Å; I100-D102 PolarHBondContact O-N 3.42Å; D102-G104 VanDerWaalsContact C-N 3.27Å; D102-G104 PolarHBondContact O-N 3.39Å; D102-L105 PolarHBondContact O-N 3.27Å; D102-L105 VanDerWaalsContact O-N 3.13Å; D102-V106 WeakPolarHBondContact O-CG2 3.41Å; D102-V106 PolarHBondContact O-N 2.96Å
103A98.8Very high98.1Very high1 Ų136.8 Ų36.81%0.00821%0.205CC..Hα-helixtrans-61.3-37.8178.100000112G99 I100 S107 Q126 K129 I130G99-A103 PolarHBondContact O-N 3.33Å; G99-A103 VanDerWaalsContact O-N 3.13Å; I100-A103 PolarHBondContact O-N 3.37Å; A103-S107 WeakPolarHBondContact O-CB 3.42Å; A103-S107 PolarHBondContact O-N 2.88Å; A103-S107 PolarHBondContact O-OG 3.26Å; A103-Q126 HydrophobicContact CB-CB 4.18Å; A103-K129 HydrophobicContact CB-CB 4.22Å; A103-K129 HydrophobicContact CB-CD 4.39Å; A103-I130 HydrophobicContact CB-CD1 4.07Å; A103-I130 HydrophobicContact CB-CG1 3.68Å
104G98.6Very high98.1Very high0 Ų040 Ų400%023%0.227CC..Hα-helixtrans-64.8-43.6173.100000112.3I100 M101 D102 S107 V108I100-G104 PolarHBondContact O-N 3.5Å; M101-G104 PolarHBondContact O-N 3Å; D102-G104 VanDerWaalsContact C-N 3.27Å; D102-G104 PolarHBondContact O-N 3.39Å; G104-S107 WeakPolarHBondContact O-CB 3.4Å; G104-S107 PolarHBondContact O-N 3.36Å; G104-V108 WeakPolarHBondContact O-CG2 3.5Å; G104-V108 PolarHBondContact O-N 3.24Å
105L98Very high98Very high31 Ų3144 Ų4416%0.16226%0.26CS..Hα-helixtrans-62.9-46.6177.5178.161.4000111.3F11 Y34 M101 D102 S107 V108 R109F11-L105 HydrophobicContact CE2-CD2 4.42Å; Y34-L105 HydrophobicContact CE2-CD1 4.27Å; M101-L105 WeakPolarHBondContact O-CB 3.47Å; M101-L105 PolarHBondContact O-N 3.16Å; D102-L105 PolarHBondContact O-N 3.27Å; D102-L105 VanDerWaalsContact O-N 3.13Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 2.95Å; L105-V108 PolarHBondContact O-N 3.06Å; L105-R109 HydrophobicContact CD1-CG 4.24Å; L105-R109 HydrophobicContact CG-CG 4.49Å; L105-R109 WeakPolarHBondContact O-CG 3.44Å; L105-R109 PolarHBondContact O-N 3.03Å
106V98.4Very high98Very high55 Ų5546.1 Ų46.133%0.33328%0.278SS..Hα-helixtrans-58.4-43.6176171.70000110.5D102 V108 R109 E110 E122 Q126D102-V106 WeakPolarHBondContact O-CG2 3.41Å; D102-V106 PolarHBondContact O-N 2.96Å; V106-V108 PolarHBondContact O-N 3.37Å; V106-R109 PolarHBondContact O-N 3.49Å; V106-E110 WeakPolarHBondContact O-CB 3.04Å; V106-E110 PolarHBondContact O-N 3.1Å; V106-E122 HydrophobicContact CG1-CG 4.16Å; V106-E122 WeakPolarHBondContact CG1-OE1 3.34Å; V106-Q126 HydrophobicContact CB-CG 3.95Å; V106-Q126 HydrophobicContact CG1-CG 3.63Å
107S98.3Very high98Very high7 Ų749.4 Ų49.45%0.04929%0.292CS..Hα-helixtrans-60.4-45.2177.1-61.60000112.4A103 G104 L105 R109 E110 Q111 Q126A103-S107 WeakPolarHBondContact O-CB 3.42Å; A103-S107 PolarHBondContact O-N 2.88Å; A103-S107 PolarHBondContact O-OG 3.26Å; G104-S107 WeakPolarHBondContact O-CB 3.4Å; G104-S107 PolarHBondContact O-N 3.36Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 2.95Å; S107-R109 PolarHBondContact O-N 3.22Å; S107-E110 PolarHBondContact O-N 3.43Å; S107-Q111 WeakPolarHBondContact O-CB 3.29Å; S107-Q111 VanDerWaalsContact O-CG 3.29Å; S107-Q111 WeakPolarHBondContact O-CG 3.23Å; S107-Q111 PolarHBondContact O-N 2.82Å; S107-Q126 VanDerWaalsContact OG-CB 3.28Å; S107-Q126 WeakPolarHBondContact OG-CB 3.46Å
108V97.4Very high97.9Very high27 Ų2752.8 Ų52.816%0.16431%0.308CS..Hα-helixtrans-62.6-42.8176.5170.70000111.5G104 L105 V106 A112 R168 V170G104-V108 WeakPolarHBondContact O-CG2 3.5Å; G104-V108 PolarHBondContact O-N 3.24Å; L105-V108 PolarHBondContact O-N 3.06Å; V106-V108 PolarHBondContact O-N 3.37Å; V108-A112 WeakPolarHBondContact O-CB 3.42Å; V108-A112 PolarHBondContact O-N 3.25Å; V108-A112 VanDerWaalsContact O-N 3.09Å; V108-R168 HydrophobicContact CG2-CB 3.62Å; V108-R168 HydrophobicContact CG2-CG 3.73Å; V108-V170 HydrophobicContact CG2-CG2 3.9Å
109R96.8Very high97.9Very high112 Ų11254.2 Ų54.242%0.42332%0.319SS..Hα-helixtrans-66.5-40.2179.1-69.5-51.8-55.5-177.3-0.1111.7Y34 L105 V106 S107 A112Y34-R109 VanDerWaalsContact CD1-NH1 3.34Å; L105-R109 HydrophobicContact CD1-CG 4.24Å; L105-R109 HydrophobicContact CG-CG 4.49Å; L105-R109 WeakPolarHBondContact O-CG 3.44Å; L105-R109 PolarHBondContact O-N 3.03Å; V106-R109 PolarHBondContact O-N 3.49Å; S107-R109 PolarHBondContact O-N 3.22Å; R109-A112 PolarHBondContact O-N 3.07Å
110E97.8Very high97.8Very high18 Ų1859.8 Ų59.88%0.08434%0.337CS..Hα-helixtrans-65.9-44.5177.9-167.661.8-167.700111.1V106 S107 A112 R113 Q118 S119 L123V106-E110 WeakPolarHBondContact O-CB 3.04Å; V106-E110 PolarHBondContact O-N 3.1Å; S107-E110 PolarHBondContact O-N 3.43Å; E110-A112 PolarHBondContact O-N 2.66Å; E110-R113 WeakPolarHBondContact O-CB 3.49Å; E110-R113 PolarHBondContact O-N 2.89Å; E110-R113 IonicContact OE1-CZ 3.53Å; E110-R113 IonicContact OE1-NH1 3.06Å; E110-R113 PolarHBondContact OE1-NH1 3.2Å; E110-R113 WeakPolarHBondContact OE2-CD 3.17Å; E110-R113 IonicContact OE2-CZ 3.55Å; E110-R113 IonicContact OE2-NE 2.98Å; E110-R113 IonicContact OE2-NH1 2.7Å; E110-R113 PolarHBondContact OE2-NH1 3.46Å; E110-Q118 WeakPolarHBondContact O-CG 3.33Å; E110-Q118 VanDerWaalsContact OE1-CA 3.31Å; E110-Q118 WeakPolarHBondContact OE1-CA 3.44Å; E110-S119 PolarHBondContact OE1-N 3.34Å; E110-L123 HydrophobicContact CB-CD2 3.97Å; E110-L123 HydrophobicContact CG-CD2 4.1Å; E110-L123 HydrophobicContact CG-CG 4.14Å
111Q96.5Very high97.8Very high98 Ų9865.5 Ų65.546%0.45837%0.368SS..Hα-helixtrans-65.1-23.6176.2-72.4176.6-27.200114S107 R113 Q118 L123S107-Q111 WeakPolarHBondContact O-CB 3.29Å; S107-Q111 VanDerWaalsContact O-CG 3.29Å; S107-Q111 WeakPolarHBondContact O-CG 3.23Å; S107-Q111 PolarHBondContact O-N 2.82Å; Q111-R113 VanDerWaalsContact C-N 3.28Å; Q111-Q118 PolarHBondContact O-NE2 3.41Å; Q111-Q118 VanDerWaalsContact O-NE2 3.08Å; Q111-L123 HydrophobicContact CG-CD2 4Å
112A95.4Very high97.8Very high72 Ų7268.4 Ų68.460%0.59538%0.381SS*.THydrogen-bonded Turntrans-78.1-11.4175.400000113.3V108 R109 E110V108-A112 WeakPolarHBondContact O-CB 3.42Å; V108-A112 PolarHBondContact O-N 3.25Å; V108-A112 VanDerWaalsContact O-N 3.09Å; R109-A112 PolarHBondContact O-N 3.07Å; E110-A112 PolarHBondContact O-N 2.66Å
113R97Very high97.8Very high106 Ų10665.9 Ų65.940%0.437%0.367SS..SBendtrans-75.5157.4176.9-61.617372.8-169.8-3110.7E110 Q111 A115 Q117 Q118E110-R113 WeakPolarHBondContact O-CB 3.49Å; E110-R113 PolarHBondContact O-N 2.89Å; E110-R113 IonicContact OE1-CZ 3.53Å; E110-R113 IonicContact OE1-NH1 3.06Å; E110-R113 PolarHBondContact OE1-NH1 3.2Å; E110-R113 WeakPolarHBondContact OE2-CD 3.17Å; E110-R113 IonicContact OE2-CZ 3.55Å; E110-R113 IonicContact OE2-NE 2.98Å; E110-R113 IonicContact OE2-NH1 2.7Å; E110-R113 PolarHBondContact OE2-NH1 3.46Å; Q111-R113 VanDerWaalsContact C-N 3.28Å; R113-A115 PolarHBondContact O-N 2.95Å; R113-Q117 HydrophobicContact CB-CB 4.48Å; R113-Q117 PolarHBondContact NH1-O 3.22Å; R113-Q117 PolarHBondContact NH2-O 3.43Å; R113-Q118 HydrophobicContact CB-CG 4.28Å; R113-Q118 PolarHBondContact O-NE2 3.19Å
114P97.9Very high97.7Very high80 Ų8069.2 Ų69.252%0.51939%0.385SS..  trans-51.2137.6169.6-24.934.1000110.8A116 Q117 Q118P114-A116 PolarHBondContact O-N 3.45Å; P114-Q117 HydrophobicContact CB-CG 4.33Å; P114-Q117 WeakPolarHBondContact O-CA 3.45Å; P114-Q117 WeakPolarHBondContact O-CB 3.21Å; P114-Q117 PolarHBondContact O-N 3.4Å; P114-Q118 PolarHBondContact O-N 3.5Å
115A97.1Very high97.7Very high86 Ų8676.1 Ų76.171%0.71141%0.411SS*.G310 helixtrans-51.4-38.6-173.300000113.3R113 Q117 Q118R113-A115 PolarHBondContact O-N 2.95Å; A115-Q117 PolarHBondContact O-N 3.05Å; A115-Q118 PolarHBondContact O-N 3.35Å
116A97.9Very high97.7Very high106 Ų10674.8 Ų74.888%0.87640%0.404SS*.G310 helixtrans-69-12.617800000114.8P114P114-A116 PolarHBondContact O-N 3.45Å
117Q98.1Very high97.7Very high109 Ų10978.3 Ų78.351%0.50941%0.411SS..G310 helixtrans-105.7-2.3178-62-175.7-1.200112.8R113 P114 A115R113-Q117 HydrophobicContact CB-CB 4.48Å; R113-Q117 PolarHBondContact NH1-O 3.22Å; R113-Q117 PolarHBondContact NH2-O 3.43Å; P114-Q117 HydrophobicContact CB-CG 4.33Å; P114-Q117 WeakPolarHBondContact O-CA 3.45Å; P114-Q117 WeakPolarHBondContact O-CB 3.21Å; P114-Q117 PolarHBondContact O-N 3.4Å; A115-Q117 PolarHBondContact O-N 3.05Å
118Q98.4Very high97.7Very high71 Ų7183 Ų8333%0.33243%0.432SS..  trans-76.9138.1178.7-59.3-173.77.700110.3E110 Q111 R113 P114 A115E110-Q118 WeakPolarHBondContact O-CG 3.33Å; E110-Q118 VanDerWaalsContact OE1-CA 3.31Å; E110-Q118 WeakPolarHBondContact OE1-CA 3.44Å; Q111-Q118 PolarHBondContact O-NE2 3.41Å; Q111-Q118 VanDerWaalsContact O-NE2 3.08Å; R113-Q118 HydrophobicContact CB-CG 4.28Å; R113-Q118 PolarHBondContact O-NE2 3.19Å; P114-Q118 PolarHBondContact O-N 3.5Å; A115-Q118 PolarHBondContact O-N 3.35Å
119S98.4Very high97.8Very high45 Ų4585.7 Ų85.732%0.31544%0.442SS..  trans-99.8112.9173.4176.80000110.1E110 D121 E122 L123E110-S119 PolarHBondContact OE1-N 3.34Å; S119-D121 VanDerWaalsContact C-N 3.29Å; S119-D121 PolarHBondContact O-N 3.46Å; S119-E122 PolarHBondContact O-N 2.81Å; S119-E122 PolarHBondContact OG-N 2.84Å; S119-L123 WeakPolarHBondContact O-CG 3.46Å; S119-L123 PolarHBondContact O-N 2.91Å
120E97.6Very high97.9Very high146 Ų14680.4 Ų80.468%0.68242%0.422SS*.Hα-helixtrans-61.6-40172.8-173.6172.2-171.700111.5E122 L123 L124E120-E122 VanDerWaalsContact C-N 3.3Å; E120-E122 PolarHBondContact O-N 3.35Å; E120-L123 PolarHBondContact O-N 3.28Å; E120-L124 HydrophobicContact CG-CD1 4.13Å; E120-L124 HydrophobicContact CG-CG 4.4Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.49Å
121D98.3Very high97.9Very high121 Ų12182.1 Ų82.165%0.64743%0.432SS*.Hα-helixtrans-59.4-39.7176.5-68.8-23.9000112.4S119 R125S119-D121 VanDerWaalsContact C-N 3.29Å; S119-D121 PolarHBondContact O-N 3.46Å; D121-R125 VanDerWaalsContact O-CB 3.26Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 PolarHBondContact O-N 3.04Å
122E98.3Very high98Very high60 Ų6084 Ų8428%0.2844%0.435SS..Hα-helixtrans-67.6-43.1177.9-173.959.3-159.900111.3V106 S119 E120 R125 Q126V106-E122 HydrophobicContact CG1-CG 4.16Å; V106-E122 WeakPolarHBondContact CG1-OE1 3.34Å; S119-E122 PolarHBondContact O-N 2.81Å; S119-E122 PolarHBondContact OG-N 2.84Å; E120-E122 VanDerWaalsContact C-N 3.3Å; E120-E122 PolarHBondContact O-N 3.35Å; E122-R125 PolarHBondContact O-N 2.83Å; E122-Q126 VanDerWaalsContact O-CG 3.31Å; E122-Q126 WeakPolarHBondContact O-CG 3.35Å; E122-Q126 PolarHBondContact O-N 3.06Å; E122-Q126 PolarHBondContact O-NE2 3.1Å; E122-Q126 PolarHBondContact OE1-NE2 3.41Å
123L98Very high98.1Very high32 Ų3281.6 Ų81.617%0.16841%0.413CS..Hα-helixtrans-62.5-43176.2-68.6173.2000111.9E110 Q111 S119 E120 Q126 R127E110-L123 HydrophobicContact CB-CD2 3.97Å; E110-L123 HydrophobicContact CG-CD2 4.1Å; E110-L123 HydrophobicContact CG-CG 4.14Å; Q111-L123 HydrophobicContact CG-CD2 4Å; S119-L123 WeakPolarHBondContact O-CG 3.46Å; S119-L123 PolarHBondContact O-N 2.91Å; E120-L123 PolarHBondContact O-N 3.28Å; L123-Q126 PolarHBondContact O-N 3.5Å; L123-R127 WeakPolarHBondContact O-CB 3.35Å; L123-R127 PolarHBondContact O-N 3.01Å
124L97.8Very high98.2Very high72 Ų7276.5 Ų76.538%0.37739%0.394SS..Hα-helixtrans-63-46.8175.2-72.5172.8000111E120 Q126 R127 E128E120-L124 HydrophobicContact CG-CD1 4.13Å; E120-L124 HydrophobicContact CG-CG 4.4Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.49Å; L124-Q126 VanDerWaalsContact C-N 3.32Å; L124-Q126 PolarHBondContact O-N 2.92Å; L124-R127 PolarHBondContact O-N 3.06Å; L124-E128 WeakPolarHBondContact O-CG 3.37Å; L124-E128 PolarHBondContact O-N 3.07Å
125R98.4Very high98.3Very high144 Ų14476.5 Ų76.554%0.54339%0.389SS..Hα-helixtrans-57.3-43.5177.2-178.5-175.1-61.6-78.3-2.6112.2D121 E122 K129D121-R125 VanDerWaalsContact O-CB 3.26Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 PolarHBondContact O-N 3.04Å; E122-R125 PolarHBondContact O-N 2.83Å; R125-K129 WeakPolarHBondContact O-CG 3.27Å; R125-K129 PolarHBondContact O-N 3.4Å
126Q98.7Very high98.3Very high4 Ų475.4 Ų75.42%0.01937%0.374CS..Hα-helixtrans-69.7-40.5178.5-63.3-28.2-65.900111.8A103 V106 S107 E122 L123 L124 E128 K129 I130A103-Q126 HydrophobicContact CB-CB 4.18Å; V106-Q126 HydrophobicContact CB-CG 3.95Å; V106-Q126 HydrophobicContact CG1-CG 3.63Å; S107-Q126 VanDerWaalsContact OG-CB 3.28Å; S107-Q126 WeakPolarHBondContact OG-CB 3.46Å; E122-Q126 VanDerWaalsContact O-CG 3.31Å; E122-Q126 WeakPolarHBondContact O-CG 3.35Å; E122-Q126 PolarHBondContact O-N 3.06Å; E122-Q126 PolarHBondContact O-NE2 3.1Å; E122-Q126 PolarHBondContact OE1-NE2 3.41Å; L123-Q126 PolarHBondContact O-N 3.5Å; L124-Q126 VanDerWaalsContact C-N 3.32Å; L124-Q126 PolarHBondContact O-N 2.92Å; Q126-E128 VanDerWaalsContact C-N 3.31Å; Q126-E128 PolarHBondContact O-N 3.05Å; Q126-K129 PolarHBondContact O-N 3.18Å; Q126-I130 WeakPolarHBondContact O-CG1 3.15Å; Q126-I130 PolarHBondContact O-N 3.39Å
127R98.1Very high98.4Very high129 Ų12970.4 Ų70.449%0.48733%0.333SS..Hα-helixtrans-58.9-42.4175.5-176.6-179.1-66.4156.40.7111.9L123 L124 I130 N131L123-R127 WeakPolarHBondContact O-CB 3.35Å; L123-R127 PolarHBondContact O-N 3.01Å; L124-R127 PolarHBondContact O-N 3.06Å; R127-I130 PolarHBondContact O-N 3.42Å; R127-N131 PolarHBondContact O-N 3.4Å
128E98.2Very high98.4Very high104 Ų10466 Ų6649%0.48631%0.312SS..Hα-helixtrans-63.7-41.9176.5-74.2-177.1-172.300113.1L124 Q126 I130 N131 R132L124-E128 WeakPolarHBondContact O-CG 3.37Å; L124-E128 PolarHBondContact O-N 3.07Å; Q126-E128 VanDerWaalsContact C-N 3.31Å; Q126-E128 PolarHBondContact O-N 3.05Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-N131 PolarHBondContact O-N 3.29Å; E128-R132 WeakPolarHBondContact O-CB 3.46Å; E128-R132 WeakPolarHBondContact O-CG 3.33Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE2-NH1 3.8Å; E128-R132 PolarHBondContact OE2-NH1 3.39Å
129K98.7Very high98.4Very high85 Ų8564 Ų6437%0.3731%0.311SS..Hα-helixtrans-58.6-48174.5-68.7171.6-171.7170.20110.4A103 R125 Q126 S133A103-K129 HydrophobicContact CB-CB 4.22Å; A103-K129 HydrophobicContact CB-CD 4.39Å; R125-K129 WeakPolarHBondContact O-CG 3.27Å; R125-K129 PolarHBondContact O-N 3.4Å; Q126-K129 PolarHBondContact O-N 3.18Å; K129-S133 WeakPolarHBondContact O-CB 3.4Å; K129-S133 PolarHBondContact O-N 2.83Å; K129-S133 PolarHBondContact O-OG 3.16Å
130I98.8Very high98.4Very high0 Ų064 Ų640%030%0.304CS..Hα-helixtrans-57.8-53.2179.1-67.6164.1000110.1I100 A103 Q126 R127 E128 S133 L134 L165 V170 A171I100-I130 HydrophobicContact CG2-CG1 4.35Å; I100-I130 HydrophobicContact CG2-CG2 4.29Å; A103-I130 HydrophobicContact CB-CD1 4.07Å; A103-I130 HydrophobicContact CB-CG1 3.68Å; Q126-I130 WeakPolarHBondContact O-CG1 3.15Å; Q126-I130 PolarHBondContact O-N 3.39Å; R127-I130 PolarHBondContact O-N 3.42Å; E128-I130 VanDerWaalsContact C-N 3.33Å; I130-S133 PolarHBondContact O-N 2.87Å; I130-L134 HydrophobicContact CG2-CD1 3.63Å; I130-L134 HydrophobicContact CG2-CG 4.28Å; I130-L134 VanDerWaalsContact O-CG 3.23Å; I130-L134 WeakPolarHBondContact O-CG 3.25Å; I130-L134 PolarHBondContact O-N 2.95Å; I130-L165 HydrophobicContact CD1-CD2 4.01Å; I130-L165 HydrophobicContact CG2-CD1 3.82Å; I130-L165 HydrophobicContact CG2-CD2 4.28Å; I130-V170 HydrophobicContact CD1-CG1 3.76Å; I130-A171 HydrophobicContact CG2-CB 3.9Å
131N98.4Very high98.5Very high55 Ų5557.8 Ų57.829%0.29428%0.275SS..Hα-helixtrans-61.5-49.6-176.6-71.4-17.2000112.4R127 E128 S133 L134 D135R127-N131 PolarHBondContact O-N 3.4Å; E128-N131 PolarHBondContact O-N 3.29Å; N131-S133 VanDerWaalsContact C-N 3.29Å; N131-S133 PolarHBondContact O-N 3.28Å; N131-L134 PolarHBondContact O-N 2.93Å; N131-D135 PolarHBondContact O-N 2.63Å
132R98.4Very high98.5Very high138 Ų13856.6 Ų56.652%0.52127%0.272SS..Hα-helixtrans-60.3-40.1179.1-70.9-170-61.4-105.8-3.7111.9E128 D135 V136E128-R132 WeakPolarHBondContact O-CB 3.46Å; E128-R132 WeakPolarHBondContact O-CG 3.33Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE2-NH1 3.8Å; E128-R132 PolarHBondContact OE2-NH1 3.39Å; R132-D135 PolarHBondContact O-N 3.08Å; R132-V136 WeakPolarHBondContact O-CG2 3.26Å; R132-V136 PolarHBondContact O-N 2.83Å; R132-V136 VanDerWaalsContact O-N 3.08Å
133S98.8Very high98.5Very high20 Ų2058.6 Ų58.614%0.1429%0.285CS..Hα-helixtrans-67.8-40.4178-64.10000112L96 I100 K129 I130 N131 D135 V136 L137L96-S133 WeakPolarHBondContact CD1-OG 3.09Å; I100-S133 VanDerWaalsContact CG1-CB 3.48Å; K129-S133 WeakPolarHBondContact O-CB 3.4Å; K129-S133 PolarHBondContact O-N 2.83Å; K129-S133 PolarHBondContact O-OG 3.16Å; I130-S133 PolarHBondContact O-N 2.87Å; N131-S133 VanDerWaalsContact C-N 3.29Å; N131-S133 PolarHBondContact O-N 3.28Å; S133-D135 VanDerWaalsContact C-N 3.32Å; S133-D135 PolarHBondContact O-N 3.44Å; S133-V136 PolarHBondContact O-N 3.33Å; S133-L137 WeakPolarHBondContact O-CG 3.4Å; S133-L137 PolarHBondContact O-N 3.5Å
134L98.8Very high98.5Very high0 Ų059.1 Ų59.10%030%0.298CS..Hα-helixtrans-62.8-38.5174.3-68.1167.3000111.8I100 I130 N131 L137 E138 V162 L165 W174 L181I100-L134 HydrophobicContact CD1-CD2 4.05Å; I100-L134 HydrophobicContact CD1-CG 4.26Å; I130-L134 HydrophobicContact CG2-CD1 3.63Å; I130-L134 HydrophobicContact CG2-CG 4.28Å; I130-L134 VanDerWaalsContact O-CG 3.23Å; I130-L134 WeakPolarHBondContact O-CG 3.25Å; I130-L134 PolarHBondContact O-N 2.95Å; N131-L134 PolarHBondContact O-N 2.93Å; L134-L137 PolarHBondContact O-N 3.25Å; L134-E138 PolarHBondContact O-N 3.48Å; L134-V162 HydrophobicContact CD2-CG2 4.25Å; L134-L165 HydrophobicContact CD1-CD1 4.33Å; L134-W174 HydrophobicContact CD1-CB 3.65Å; L134-L181 HydrophobicContact CB-CD2 4.39Å; L134-L181 HydrophobicContact CD2-CD2 3.72Å
135D98.6Very high98.4Very high79 Ų7959.7 Ų59.742%0.42230%0.304SS..Hα-helixtrans-63.9-40.3175.4-63.3-22.5000112N131 R132 S133 L137 E138 G139 R178N131-D135 PolarHBondContact O-N 2.63Å; R132-D135 PolarHBondContact O-N 3.08Å; S133-D135 VanDerWaalsContact C-N 3.32Å; S133-D135 PolarHBondContact O-N 3.44Å; D135-L137 VanDerWaalsContact C-N 3.33Å; D135-E138 PolarHBondContact O-N 3.23Å; D135-G139 PolarHBondContact O-N 2.8Å; D135-R178 IonicContact OD1-CZ 3.91Å; D135-R178 IonicContact OD1-NE 2.76Å; D135-R178 PolarHBondContact OD1-NE 3.23Å; D135-R178 IonicContact OD1-NH2 2.86Å; D135-R178 PolarHBondContact OD1-NH2 3.03Å; D135-R178 IonicContact OD2-NH2 2.79Å
136V98.7Very high98.4Very high64 Ų6453.1 Ų53.139%0.38828%0.28SS..Hα-helixtrans-63.6-40.5174.3170.90000111.2L96 R132 S133 G139 Y140L96-V136 HydrophobicContact CD2-CB 4.06Å; L96-V136 HydrophobicContact CD2-CG1 3.61Å; R132-V136 WeakPolarHBondContact O-CG2 3.26Å; R132-V136 PolarHBondContact O-N 2.83Å; R132-V136 VanDerWaalsContact O-N 3.08Å; S133-V136 PolarHBondContact O-N 3.33Å; V136-G139 PolarHBondContact O-N 2.99Å; V136-Y140 HydrophobicContact CG1-CD2 4.31Å; V136-Y140 HydrophobicContact CG1-CE1 4.35Å; V136-Y140 HydrophobicContact CG1-CE2 3.75Å; V136-Y140 PolarHBondContact O-N 3.39Å
137L98.8Very high98.4Very high1 Ų159.2 Ų59.21%0.00531%0.307CS..Hα-helixtrans-66-40.7177.2-69.3175.2000112.5I93 L96 I100 S133 L134 D135 G139 Y140 L141 I158 L181I93-L137 HydrophobicContact CG2-CD2 3.87Å; L96-L137 HydrophobicContact CD2-CD2 3.74Å; L96-L137 HydrophobicContact CD2-CG 3.93Å; L96-L137 HydrophobicContact CG-CD2 4.47Å; I100-L137 HydrophobicContact CD1-CD1 3.69Å; S133-L137 WeakPolarHBondContact O-CG 3.4Å; S133-L137 PolarHBondContact O-N 3.5Å; L134-L137 PolarHBondContact O-N 3.25Å; D135-L137 VanDerWaalsContact C-N 3.33Å; L137-G139 VanDerWaalsContact C-N 3.3Å; L137-Y140 HydrophobicContact CD2-CD2 4.36Å; L137-Y140 PolarHBondContact O-N 2.92Å; L137-L141 PolarHBondContact O-N 2.83Å; L137-I158 HydrophobicContact CD1-CD1 4.4Å; L137-I158 HydrophobicContact CD1-CG1 3.9Å; L137-I158 HydrophobicContact CD1-CG2 4.09Å; L137-I158 HydrophobicContact CD2-CD1 3.59Å; L137-I158 HydrophobicContact CD2-CG1 3.83Å; L137-I158 HydrophobicContact CG-CG1 4.49Å; L137-L181 HydrophobicContact CB-CD1 4.39Å; L137-L181 HydrophobicContact CB-CD2 4.49Å
138E98.7Very high98.3Very high16 Ų1654.6 Ų54.68%0.07529%0.293CS..Hα-helixtrans-59.9-43.7170.8-178.366.4-17100110.5L134 D135 Y140 L141 V142 R178 P179 H180 L181L134-E138 PolarHBondContact O-N 3.48Å; D135-E138 PolarHBondContact O-N 3.23Å; E138-Y140 VanDerWaalsContact C-N 3.34Å; E138-Y140 PolarHBondContact O-N 3.4Å; E138-L141 WeakPolarHBondContact O-CB 3.36Å; E138-L141 PolarHBondContact O-N 2.97Å; E138-V142 HydrophobicContact CG-CG2 4.37Å; E138-V142 WeakPolarHBondContact O-CG2 3.37Å; E138-V142 PolarHBondContact O-N 2.97Å; E138-R178 HydrophobicContact CB-CB 4.22Å; E138-R178 HydrophobicContact CB-CG 4.01Å; E138-R178 VanDerWaalsContact CD-CA 3.42Å; E138-R178 HydrophobicContact CG-CB 4.18Å; E138-R178 HydrophobicContact CG-CG 4.19Å; E138-R178 VanDerWaalsContact OE2-C 3.23Å; E138-R178 WeakPolarHBondContact OE2-CA 3.29Å; E138-P179 VanDerWaalsContact OE1-CD 3.28Å; E138-P179 WeakPolarHBondContact OE1-CD 3.39Å; E138-H180 WeakPolarHBondContact OE1-CB 3.33Å; E138-H180 IonicContact OE1-CE1 3.94Å; E138-H180 IonicContact OE1-CG 2.66Å; E138-H180 PolarHBondContact OE1-N 3.24Å; E138-H180 VanDerWaalsContact OE1-N 3.09Å; E138-H180 IonicContact OE1-ND1 3.1Å; E138-H180 PolarHBondContact OE1-ND1 3.13Å; E138-H180 PolarHBondContact OE2-N 3Å; E138-L181 VanDerWaalsContact OE2-CB 3.25Å; E138-L181 WeakPolarHBondContact OE2-CB 3.31Å; E138-L181 PolarHBondContact OE2-N 3.45Å
139G98.7Very high98.3Very high30 Ų3055.3 Ų55.331%0.30930%0.3SS..Hα-helixtrans-55.9-44.2175.600000113.4D135 V136 L137 L141 V142 D143D135-G139 PolarHBondContact O-N 2.8Å; V136-G139 PolarHBondContact O-N 2.99Å; L137-G139 VanDerWaalsContact C-N 3.3Å; G139-L141 PolarHBondContact O-N 2.89Å; G139-V142 PolarHBondContact O-N 3.18Å; G139-D143 VanDerWaalsContact O-CG 3.31Å; G139-D143 PolarHBondContact O-N 3.3Å
140Y98.6Very high98.2Very high45 Ų4553 Ų5318%0.17629%0.293CS..Hα-helixtrans-64.3-27.2175.4-69.1-26000113.8K92 I93 L96 V136 L137 E138 D143 G144 T145 L146K92-Y140 PolarHBondContact NZ-OH 3.44Å; I93-Y140 HydrophobicContact CD1-CD2 4.1Å; I93-Y140 HydrophobicContact CD1-CE2 4.25Å; I93-Y140 HydrophobicContact CG1-CD2 4.16Å; I93-Y140 HydrophobicContact CG1-CE2 3.9Å; L96-Y140 HydrophobicContact CD2-CE2 4.35Å; V136-Y140 HydrophobicContact CG1-CD2 4.31Å; V136-Y140 HydrophobicContact CG1-CE1 4.35Å; V136-Y140 HydrophobicContact CG1-CE2 3.75Å; V136-Y140 PolarHBondContact O-N 3.39Å; L137-Y140 HydrophobicContact CD2-CD2 4.36Å; L137-Y140 PolarHBondContact O-N 2.92Å; E138-Y140 VanDerWaalsContact C-N 3.34Å; E138-Y140 PolarHBondContact O-N 3.4Å; Y140-D143 WeakPolarHBondContact CA-OD1 3.29Å; Y140-G144 PolarHBondContact O-N 3.24Å; Y140-T145 HydrophobicContact CD1-CG2 4.12Å; Y140-T145 HydrophobicContact CG-CG2 4.2Å; Y140-T145 PolarHBondContact O-N 2.99Å; Y140-L146 PolarHBondContact O-N 3.4Å
141L98.6Very high98.2Very high14 Ų1455.2 Ų55.27%0.07331%0.307CS..Hα-helixtrans-80.7-34.1175.1-71.9158.3000111.7L137 E138 G139 L146 T148 H180 L181 L184L137-L141 PolarHBondContact O-N 2.83Å; E138-L141 WeakPolarHBondContact O-CB 3.36Å; E138-L141 PolarHBondContact O-N 2.97Å; G139-L141 PolarHBondContact O-N 2.89Å; L141-L146 HydrophobicContact CD2-CB 3.69Å; L141-L146 HydrophobicContact CG-CB 4.05Å; L141-T148 HydrophobicContact CD2-CG2 4.15Å; L141-H180 HydrophobicContact CB-CB 3.6Å; L141-H180 HydrophobicContact CD1-CB 4.19Å; L141-H180 HydrophobicContact CG-CB 4.43Å; L141-L181 VanDerWaalsContact CD1-CA 3.42Å; L141-L181 HydrophobicContact CD1-CB 3.95Å; L141-L181 HydrophobicContact CD1-CD1 4.14Å; L141-L184 HydrophobicContact CD1-CB 4.2Å; L141-L184 HydrophobicContact CD1-CD2 4.1Å; L141-L184 HydrophobicContact CD2-CB 4.28Å; L141-L184 HydrophobicContact CD2-CD2 4.21Å
142V98.5Very high98.2Very high97 Ų9753.8 Ų53.859%0.58830%0.299SS*.Hα-helixtrans-69.6-42.1176.3170.80000111.5E138 G139 G144E138-V142 HydrophobicContact CG-CG2 4.37Å; E138-V142 WeakPolarHBondContact O-CG2 3.37Å; E138-V142 PolarHBondContact O-N 2.97Å; G139-V142 PolarHBondContact O-N 3.18Å; V142-G144 VanDerWaalsContact C-N 3.3Å; V142-G144 PolarHBondContact O-N 3.45Å
143D98Very high98.2Very high102 Ų10247.2 Ų47.255%0.54527%0.274SS..THydrogen-bonded Turntrans-82.6-6.3-17974.913.8000114G139 Y140 T145G139-D143 VanDerWaalsContact O-CG 3.31Å; G139-D143 PolarHBondContact O-N 3.3Å; Y140-D143 WeakPolarHBondContact CA-OD1 3.29Å; D143-T145 WeakPolarHBondContact OD1-CB 3.35Å; D143-T145 PolarHBondContact OD1-N 3.31Å; D143-T145 PolarHBondContact OD1-OG1 3.39Å; D143-T145 PolarHBondContact OD2-OG1 2.89Å
144G97.6Very high98.2Very high43 Ų4346.2 Ų46.244%0.44327%0.267SS..THydrogen-bonded Turntrans82.75.5178.400000115.2Y140 V142 L146Y140-G144 PolarHBondContact O-N 3.24Å; V142-G144 VanDerWaalsContact C-N 3.3Å; V142-G144 PolarHBondContact O-N 3.45Å; G144-L146 PolarHBondContact O-N 2.88Å
145T97Very high98.2Very high83 Ų8346.2 Ų46.251%0.50927%0.267SS..SBendtrans-56.3-39.6169.6-62.20000111.1I93 Y140 D143I93-T145 HydrophobicContact CD1-CG2 4.27Å; Y140-T145 HydrophobicContact CD1-CG2 4.12Å; Y140-T145 HydrophobicContact CG-CG2 4.2Å; Y140-T145 PolarHBondContact O-N 2.99Å; D143-T145 WeakPolarHBondContact OD1-CB 3.35Å; D143-T145 PolarHBondContact OD1-N 3.31Å; D143-T145 PolarHBondContact OD1-OG1 3.39Å; D143-T145 PolarHBondContact OD2-OG1 2.89Å
146L97.7Very high98.2Very high6 Ų642.5 Ų42.53%0.03125%0.247CC..SBendtrans-114.4148.1168.6-67.3175.7000109.4I93 Y140 L141 G144 T155 I158I93-L146 HydrophobicContact CD1-CD1 4.39Å; I93-L146 HydrophobicContact CD1-CD2 3.95Å; I93-L146 HydrophobicContact CD1-CG 4.17Å; I93-L146 HydrophobicContact CG2-CD1 4.17Å; Y140-L146 PolarHBondContact O-N 3.4Å; L141-L146 HydrophobicContact CD2-CB 3.69Å; L141-L146 HydrophobicContact CG-CB 4.05Å; G144-L146 PolarHBondContact O-N 2.88Å; L146-T155 HydrophobicContact CD2-CG2 4.07Å; L146-I158 HydrophobicContact CD1-CD1 3.7Å
147K98.1Very high98.2Very high133 Ų13339.4 Ų39.458%0.57823%0.229SC*.  trans-113.2148.1169.5-55.4178.9-179.71770109.9D149 T150K147-D149 WeakPolarHBondContact CB-OD1 3.36Å; K147-D149 PolarHBondContact O-N 3.04Å; K147-T150 WeakPolarHBondContact CB-OG1 3.48Å; K147-T150 PolarHBondContact N-OG1 3.35Å; K147-T150 WeakPolarHBondContact O-CB 3.37Å; K147-T150 PolarHBondContact O-N 3.4Å; K147-T150 PolarHBondContact O-OG1 3.34Å
148T97.7Very high98.2Very high32 Ų3239.4 Ų39.420%0.19623%0.229CC..THydrogen-bonded Turntrans-63.4-16.4-176.856.20000114L141 K183 N187L141-T148 HydrophobicContact CD2-CG2 4.15Å; T148-K183 HydrophobicContact CG2-CB 4.15Å; T148-K183 HydrophobicContact CG2-CD 4.13Å; T148-K183 HydrophobicContact CG2-CG 4.12Å; T148-N187 PolarHBondContact O-ND2 2.86Å
149D96.9Very high98.2Very high118 Ų11838.7 Ų38.763%0.63123%0.225SC*.THydrogen-bonded Turntrans-103.21.8178.261.7-14.2000113.3K147 V151K147-D149 WeakPolarHBondContact CB-OD1 3.36Å; K147-D149 PolarHBondContact O-N 3.04Å; D149-V151 PolarHBondContact O-N 3.13Å
150T96.7Very high98.2Very high37 Ų3737.2 Ų37.223%0.22721%0.21CC..  trans-71.7127.7-179.4-62.70000111.2K147 N152 T155K147-T150 WeakPolarHBondContact CB-OG1 3.48Å; K147-T150 PolarHBondContact N-OG1 3.35Å; K147-T150 WeakPolarHBondContact O-CB 3.37Å; K147-T150 PolarHBondContact O-N 3.4Å; K147-T150 PolarHBondContact O-OG1 3.34Å; T150-N152 HydrophobicContact CG2-CB 4.33Å; T150-T155 HydrophobicContact CG2-CG2 4Å; T150-T155 WeakPolarHBondContact O-CB 3.29Å; T150-T155 WeakPolarHBondContact O-CG2 3.47Å; T150-T155 PolarHBondContact O-OG1 3.48Å
151V98.1Very high98.2Very high47 Ų4735.1 Ų35.129%0.28520%0.202SC..  trans-114.3107170.6-174.50000108.4D149 L188D149-V151 PolarHBondContact O-N 3.13Å; V151-L188 HydrophobicContact CG2-CD2 4.18Å
152N98.3Very high98.2Very high24 Ų2434.5 Ų34.513%0.12820%0.199CC..SBendtrans-152.1-178.7175.370.415.4000109.9M79 T150 A154 T155 I156M79-N152 WeakPolarHBondContact O-CB 3.38Å; T150-N152 HydrophobicContact CG2-CB 4.33Å; N152-A154 VanDerWaalsContact C-N 3.29Å; N152-A154 PolarHBondContact O-N 2.91Å; N152-A154 WeakPolarHBondContact OD1-CB 3.37Å; N152-A154 PolarHBondContact OD1-N 3.18Å; N152-T155 PolarHBondContact N-OG1 3.3Å; N152-T155 PolarHBondContact O-N 2.97Å; N152-T155 PolarHBondContact O-OG1 3.25Å; N152-T155 PolarHBondContact OD1-N 3.02Å; N152-T155 PolarHBondContact OD1-OG1 3.02Å; N152-I156 WeakPolarHBondContact O-CB 3.4Å; N152-I156 WeakPolarHBondContact O-CD1 3.5Å; N152-I156 VanDerWaalsContact O-CG1 3.28Å; N152-I156 WeakPolarHBondContact O-CG1 3.37Å; N152-I156 PolarHBondContact O-N 3.33Å
153L98.7Very high98.2Very high0 Ų030.2 Ų30.20%018%0.175CC..Hα-helixtrans-56.3-42.3-179.1179.758.1000113K14 L18 A67 M79 L80 V90 E94 A157K14-L153 HydrophobicContact CD-CD1 4.31Å; K14-L153 HydrophobicContact CG-CD1 4.46Å; L18-L153 HydrophobicContact CD1-CD1 4.38Å; L18-L153 HydrophobicContact CD2-CD1 4.3Å; A67-L153 HydrophobicContact CB-CD1 3.87Å; A67-L153 HydrophobicContact CB-CD2 3.87Å; M79-L153 HydrophobicContact CB-CB 4.42Å; M79-L153 PolarHBondContact O-N 3.49Å; M79-L153 VanDerWaalsContact O-N 3.14Å; L80-L153 HydrophobicContact CD1-CD2 4.21Å; L80-L153 HydrophobicContact CD2-CB 4.11Å; L80-L153 HydrophobicContact CD2-CD2 4.01Å; L80-L153 HydrophobicContact CG-CD2 4.27Å; V90-L153 HydrophobicContact CG1-CB 4.47Å; E94-L153 HydrophobicContact CB-CG 4.48Å; E94-L153 HydrophobicContact CG-CD2 4.49Å; E94-L153 HydrophobicContact CG-CG 4.22Å; E94-L153 VanDerWaalsContact OE2-CD2 3.29Å; E94-L153 WeakPolarHBondContact OE2-CD2 3.37Å; L153-A157 WeakPolarHBondContact O-CB 3.35Å; L153-A157 PolarHBondContact O-N 3.21Å
154A98.7Very high98.2Very high0 Ų025.9 Ų25.90%015%0.151CC..Hα-helixtrans-66.6-46.7-179.500000112.4V90 I93 N152 I156 A157 I158V90-A154 HydrophobicContact CG1-CB 3.65Å; I93-A154 HydrophobicContact CB-CB 3.76Å; I93-A154 HydrophobicContact CG2-CB 3.76Å; N152-A154 VanDerWaalsContact C-N 3.29Å; N152-A154 PolarHBondContact O-N 2.91Å; N152-A154 WeakPolarHBondContact OD1-CB 3.37Å; N152-A154 PolarHBondContact OD1-N 3.18Å; A154-I156 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.34Å; A154-A157 WeakPolarHBondContact O-CB 3.32Å; A154-A157 PolarHBondContact O-N 3.44Å; A154-I158 VanDerWaalsContact O-CG1 3.27Å; A154-I158 WeakPolarHBondContact O-CG1 3.37Å; A154-I158 PolarHBondContact O-N 2.91Å
155T98.8Very high98.2Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-69.5-34.5-178.6630000111.8L146 T150 N152 I158 A159 L184 L188L146-T155 HydrophobicContact CD2-CG2 4.07Å; T150-T155 HydrophobicContact CG2-CG2 4Å; T150-T155 WeakPolarHBondContact O-CB 3.29Å; T150-T155 WeakPolarHBondContact O-CG2 3.47Å; T150-T155 PolarHBondContact O-OG1 3.48Å; N152-T155 PolarHBondContact N-OG1 3.3Å; N152-T155 PolarHBondContact O-N 2.97Å; N152-T155 PolarHBondContact O-OG1 3.25Å; N152-T155 PolarHBondContact OD1-N 3.02Å; N152-T155 PolarHBondContact OD1-OG1 3.02Å; T155-I158 PolarHBondContact O-N 3.26Å; T155-A159 PolarHBondContact O-N 3.5Å; T155-L184 HydrophobicContact CG2-CD1 4.07Å; T155-L184 HydrophobicContact CG2-CD2 4.29Å; T155-L188 WeakPolarHBondContact O-CD1 3.43Å
156I98.8Very high98.2Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-59.3-47.1169.4-68.7164.7000110.9K14 I17 L18 E21 M79 N152 A154 I158 A159 C160 F194K14-I156 HydrophobicContact CG-CG2 4.22Å; I17-I156 HydrophobicContact CB-CG2 3.96Å; I17-I156 HydrophobicContact CD1-CG2 4.46Å; I17-I156 HydrophobicContact CG2-CB 4.45Å; I17-I156 HydrophobicContact CG2-CD1 3.98Å; I17-I156 HydrophobicContact CG2-CG1 3.96Å; I17-I156 HydrophobicContact CG2-CG2 3.62Å; L18-I156 HydrophobicContact CD1-CD1 4.36Å; E21-I156 HydrophobicContact CG-CD1 4.48Å; M79-I156 HydrophobicContact CE-CD1 4.28Å; M79-I156 HydrophobicContact SD-CD1 4.32Å; N152-I156 WeakPolarHBondContact O-CB 3.4Å; N152-I156 WeakPolarHBondContact O-CD1 3.5Å; N152-I156 VanDerWaalsContact O-CG1 3.28Å; N152-I156 WeakPolarHBondContact O-CG1 3.37Å; N152-I156 PolarHBondContact O-N 3.33Å; A154-I156 VanDerWaalsContact C-N 3.34Å; A154-I156 PolarHBondContact O-N 3.34Å; I156-I158 PolarHBondContact O-N 2.93Å; I156-A159 PolarHBondContact O-N 3.07Å; I156-C160 WeakPolarHBondContact O-CB 3.41Å; I156-C160 PolarHBondContact O-N 3.32Å; I156-C160 PolarHBondContact O-SG 2.94Å; I156-F194 HydrophobicContact CG1-CE2 4.45Å; I156-F194 HydrophobicContact CG2-CZ 4.41Å
157A98.9Very high98.1Very high0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-61.3-44.4177.800000111.7K14 E94 A97 M101 L153 A154 A159 C160 A161K14-A157 HydrophobicContact CD-CB 3.73Å; K14-A157 HydrophobicContact CG-CB 4.47Å; E94-A157 HydrophobicContact CG-CB 4.17Å; A97-A157 HydrophobicContact CB-CB 3.67Å; M101-A157 HydrophobicContact CE-CB 4.21Å; M101-A157 WeakPolarHBondContact CE-O 3.34Å; L153-A157 WeakPolarHBondContact O-CB 3.35Å; L153-A157 PolarHBondContact O-N 3.21Å; A154-A157 WeakPolarHBondContact O-CB 3.32Å; A154-A157 PolarHBondContact O-N 3.44Å; A157-A159 PolarHBondContact O-N 3.03Å; A157-C160 PolarHBondContact O-N 3Å; A157-A161 PolarHBondContact O-N 3.16Å
158I98.9Very high98.1Very high1 Ų123.3 Ų23.31%0.00512%0.121CC..Hα-helixtrans-56.6-50.2177.1-68.5164.3000111.1I93 A97 L137 L146 A154 T155 I156 C160 A161 V162 L181 L184I93-I158 HydrophobicContact CG2-CD1 3.88Å; I93-I158 HydrophobicContact CG2-CG1 4.5Å; A97-I158 HydrophobicContact CB-CG1 4.05Å; L137-I158 HydrophobicContact CD1-CD1 4.4Å; L137-I158 HydrophobicContact CD1-CG1 3.9Å; L137-I158 HydrophobicContact CD1-CG2 4.09Å; L137-I158 HydrophobicContact CD2-CD1 3.59Å; L137-I158 HydrophobicContact CD2-CG1 3.83Å; L137-I158 HydrophobicContact CG-CG1 4.49Å; L146-I158 HydrophobicContact CD1-CD1 3.7Å; A154-I158 VanDerWaalsContact O-CG1 3.27Å; A154-I158 WeakPolarHBondContact O-CG1 3.37Å; A154-I158 PolarHBondContact O-N 2.91Å; T155-I158 PolarHBondContact O-N 3.26Å; I156-I158 PolarHBondContact O-N 2.93Å; I158-C160 VanDerWaalsContact C-N 3.33Å; I158-C160 PolarHBondContact O-N 3.09Å; I158-A161 WeakPolarHBondContact O-CB 3.46Å; I158-A161 PolarHBondContact O-N 3.31Å; I158-V162 PolarHBondContact O-N 3.37Å; I158-L181 HydrophobicContact CG2-CD1 3.52Å; I158-L184 HydrophobicContact CD1-CD2 4.22Å; I158-L184 HydrophobicContact CG2-CD2 4.12Å
159A98.7Very high98Very high0 Ų032.2 Ų32.20%015%0.151CC..Hα-helixtrans-68-33.1-179.600000112.3T155 I156 A157 G163 L188 F189 F194T155-A159 PolarHBondContact O-N 3.5Å; I156-A159 PolarHBondContact O-N 3.07Å; A157-A159 PolarHBondContact O-N 3.03Å; A159-G163 PolarHBondContact O-N 2.89Å; A159-L188 HydrophobicContact CB-CB 3.88Å; A159-L188 HydrophobicContact CB-CD1 3.57Å; A159-L188 HydrophobicContact CB-CG 4.38Å; A159-F189 HydrophobicContact CB-CD1 4.36Å; A159-F189 HydrophobicContact CB-CE1 3.95Å; A159-F189 WeakPolarHBondContact O-CE1 3.26Å; A159-F194 HydrophobicContact CB-CD1 4.44Å; A159-F194 HydrophobicContact CB-CE1 3.38Å; A159-F194 HydrophobicContact CB-CZ 3.59Å
160C98.8Very high97.9Very high0 Ų027 Ų270%012%0.124CC..Hα-helixtrans-63.7-41.3170.9-69.70000112.1K14 M101 I156 A157 I158 G163 Y164K14-C160 VanDerWaalsContact CA-SG 3.59Å; K14-C160 HydrophobicContact CB-CB 4.46Å; M101-C160 HydrophobicContact CE-CB 4.01Å; I156-C160 WeakPolarHBondContact O-CB 3.41Å; I156-C160 PolarHBondContact O-N 3.32Å; I156-C160 PolarHBondContact O-SG 2.94Å; A157-C160 PolarHBondContact O-N 3Å; I158-C160 VanDerWaalsContact C-N 3.33Å; I158-C160 PolarHBondContact O-N 3.09Å; C160-G163 PolarHBondContact O-N 3.26Å; C160-Y164 WeakPolarHBondContact O-CB 3.46Å; C160-Y164 PolarHBondContact O-N 3.37Å
161A98.8Very high97.7Very high1 Ų125.9 Ų25.91%0.00812%0.118CC..Hα-helixtrans-61.9-51.5176.400000111.1A97 I100 M101 A157 I158 G163 Y164 L165A97-A161 HydrophobicContact CB-CB 4.49Å; I100-A161 HydrophobicContact CB-CB 4.1Å; I100-A161 HydrophobicContact CG2-CB 3.93Å; M101-A161 HydrophobicContact CE-CB 4.05Å; M101-A161 HydrophobicContact CG-CB 3.78Å; A157-A161 PolarHBondContact O-N 3.16Å; I158-A161 WeakPolarHBondContact O-CB 3.46Å; I158-A161 PolarHBondContact O-N 3.31Å; A161-G163 PolarHBondContact O-N 2.76Å; A161-Y164 WeakPolarHBondContact O-CB 3.35Å; A161-Y164 PolarHBondContact O-N 2.98Å; A161-Y164 VanDerWaalsContact O-N 3.16Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.09Å
162V98.6Very high97.4Very high1 Ų129.1 Ų29.11%0.00614%0.14CC..Hα-helixtrans-62.7-41.8177.71720000111.8L134 I158 Y164 L165 N166 W174 V185L134-V162 HydrophobicContact CD2-CG2 4.25Å; I158-V162 PolarHBondContact O-N 3.37Å; V162-Y164 VanDerWaalsContact C-N 3.25Å; V162-Y164 PolarHBondContact O-N 3.39Å; V162-L165 PolarHBondContact O-N 3.31Å; V162-N166 PolarHBondContact O-N 3.05Å; V162-N166 PolarHBondContact O-ND2 3.28Å; V162-W174 HydrophobicContact CG1-CD2 3.79Å; V162-W174 VanDerWaalsContact CG1-CE2 3.47Å; V162-W174 HydrophobicContact CG1-CE3 3.94Å; V162-W174 HydrophobicContact CG1-CH2 3.56Å; V162-W174 HydrophobicContact CG1-CZ2 3.37Å; V162-W174 HydrophobicContact CG1-CZ3 3.84Å; V162-W174 HydrophobicContact CG2-CE3 4.17Å; V162-W174 HydrophobicContact CG2-CZ3 4.31Å; V162-V185 HydrophobicContact CB-CG1 4.31Å; V162-V185 HydrophobicContact CB-CG2 4.04Å; V162-V185 HydrophobicContact CG1-CG1 3.88Å; V162-V185 HydrophobicContact CG1-CG2 4.13Å; V162-V185 HydrophobicContact CG2-CG2 3.97Å
163G97.8Very high97.2Very high7 Ų729.7 Ų29.77%0.07215%0.152CC..Hα-helixtrans-58.7-38.6175.200000112.4A159 C160 A161 F167A159-G163 PolarHBondContact O-N 2.89Å; C160-G163 PolarHBondContact O-N 3.26Å; A161-G163 PolarHBondContact O-N 2.76Å; G163-F167 VanDerWaalsContact O-CB 3.26Å; G163-F167 WeakPolarHBondContact O-CB 3.42Å; G163-F167 PolarHBondContact O-N 2.98Å
164Y98.2Very high97.1Very high11 Ų1130.7 Ų30.74%0.04316%0.156CC..Hα-helixtrans-68.2-44.5175.5-169.6-111.9000113.1T8 P10 C160 A161 V162 N166 F167 R168T8-Y164 WeakPolarHBondContact O-CE2 3.36Å; P10-Y164 HydrophobicContact CB-CD2 3.82Å; P10-Y164 HydrophobicContact CB-CG 3.8Å; P10-Y164 HydrophobicContact CG-CD1 4.05Å; P10-Y164 HydrophobicContact CG-CD2 3.6Å; P10-Y164 HydrophobicContact CG-CE1 4.43Å; P10-Y164 HydrophobicContact CG-CE2 4.01Å; P10-Y164 HydrophobicContact CG-CG 3.61Å; C160-Y164 WeakPolarHBondContact O-CB 3.46Å; C160-Y164 PolarHBondContact O-N 3.37Å; A161-Y164 WeakPolarHBondContact O-CB 3.35Å; A161-Y164 PolarHBondContact O-N 2.98Å; A161-Y164 VanDerWaalsContact O-N 3.16Å; V162-Y164 VanDerWaalsContact C-N 3.25Å; V162-Y164 PolarHBondContact O-N 3.39Å; Y164-N166 VanDerWaalsContact C-N 3.3Å; Y164-N166 PolarHBondContact O-N 2.86Å; Y164-F167 PolarHBondContact O-N 3.46Å; Y164-R168 HydrophobicContact CD1-CG 4.43Å; Y164-R168 HydrophobicContact CD2-CG 4.01Å; Y164-R168 HydrophobicContact CE1-CG 4.02Å; Y164-R168 HydrophobicContact CE2-CG 3.56Å; Y164-R168 HydrophobicContact CG-CG 4.42Å; Y164-R168 WeakPolarHBondContact O-CB 3.13Å; Y164-R168 PolarHBondContact O-N 3.24Å
165L98.1Very high97.1Very high1 Ų133.5 Ų33.51%0.00518%0.175CC..Hα-helixtrans-55.6-48.2175.5-68.1-178.8000110.5I100 I130 L134 A161 V162 R169 V170I100-L165 HydrophobicContact CG2-CD1 3.87Å; I100-L165 HydrophobicContact CG2-CD2 4.37Å; I100-L165 HydrophobicContact CG2-CG 4.28Å; I130-L165 HydrophobicContact CD1-CD2 4.01Å; I130-L165 HydrophobicContact CG2-CD1 3.82Å; I130-L165 HydrophobicContact CG2-CD2 4.28Å; L134-L165 HydrophobicContact CD1-CD1 4.33Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.09Å; V162-L165 PolarHBondContact O-N 3.31Å; L165-R169 CarbonylContact O-C 3.59Å; L165-R169 WeakPolarHBondContact O-CA 3.33Å; L165-R169 PolarHBondContact O-N 2.77Å; L165-V170 CarbonylContact C-O 3.49Å; L165-V170 WeakPolarHBondContact CB-O 3.45Å; L165-V170 HydrophobicContact CD2-CB 3.89Å; L165-V170 HydrophobicContact CD2-CG1 3.78Å; L165-V170 PolarHBondContact O-N 2.91Å
166N96.7Very high97Very high73 Ų7337.5 Ų37.539%0.3920%0.199SC..Hα-helixtrans-60.3-51.9175.4-72.2-29.2000112.1V162 Y164 R168 R169 W174V162-N166 PolarHBondContact O-N 3.05Å; V162-N166 PolarHBondContact O-ND2 3.28Å; Y164-N166 VanDerWaalsContact C-N 3.3Å; Y164-N166 PolarHBondContact O-N 2.86Å; N166-R168 VanDerWaalsContact C-N 3.33Å; N166-R168 PolarHBondContact O-N 3.03Å; N166-R169 PolarHBondContact O-N 3.36Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-W174 PolarHBondContact OD1-NE1 2.72Å
167F96.7Very high96.9Very high47 Ų4744.3 Ų44.321%0.20624%0.235CC..Hα-helixtrans-58.8-43.5-177.7172.3-116.6000112.5T8 G163 Y164 R169 P199 P200T8-F167 HydrophobicContact CG2-CE1 3.77Å; T8-F167 HydrophobicContact CG2-CZ 3.76Å; G163-F167 VanDerWaalsContact O-CB 3.26Å; G163-F167 WeakPolarHBondContact O-CB 3.42Å; G163-F167 PolarHBondContact O-N 2.98Å; Y164-F167 PolarHBondContact O-N 3.46Å; F167-R169 VanDerWaalsContact C-N 3.35Å; F167-P199 HydrophobicContact CB-CG 3.97Å; F167-P199 HydrophobicContact CD1-CB 4.06Å; F167-P199 HydrophobicContact CD1-CG 4.13Å; F167-P199 HydrophobicContact CD2-CB 3.96Å; F167-P199 HydrophobicContact CD2-CG 3.76Å; F167-P199 HydrophobicContact CE1-CB 4.1Å; F167-P199 HydrophobicContact CE2-CB 4Å; F167-P199 HydrophobicContact CE2-CG 4.3Å; F167-P199 HydrophobicContact CG-CB 4Å; F167-P199 HydrophobicContact CG-CG 3.67Å; F167-P199 HydrophobicContact CZ-CB 4.07Å; F167-P200 VanDerWaalsContact CE2-O 3.25Å; F167-P200 WeakPolarHBondContact CE2-O 3.48Å
168R96.5Very high96.8Very high89 Ų8945.4 Ų45.434%0.33624%0.239SC..Hα-helixtrans-88.4-0.6-179.3-65.6-63.9-168.4-172.6-4114T8 V108 Y164 N166 V170T8-R168 PolarHBondContact OG1-NH2 2.79Å; V108-R168 HydrophobicContact CG2-CB 3.62Å; V108-R168 HydrophobicContact CG2-CG 3.73Å; Y164-R168 HydrophobicContact CD1-CG 4.43Å; Y164-R168 HydrophobicContact CD2-CG 4.01Å; Y164-R168 HydrophobicContact CE1-CG 4.02Å; Y164-R168 HydrophobicContact CE2-CG 3.56Å; Y164-R168 HydrophobicContact CG-CG 4.42Å; Y164-R168 WeakPolarHBondContact O-CB 3.13Å; Y164-R168 PolarHBondContact O-N 3.24Å; N166-R168 VanDerWaalsContact C-N 3.33Å; N166-R168 PolarHBondContact O-N 3.03Å; R168-V170 HydrophobicContact CB-CG2 3.94Å; R168-V170 PolarHBondContact O-N 3.35Å
169R95.6Very high96.8Very high219 Ų21949.3 Ų49.383%0.82627%0.265SS*.THydrogen-bonded Turntrans55.235.7-175.3-52.7-179.7-177.2-178.60.9112.7L165 N166 F167L165-R169 CarbonylContact O-C 3.59Å; L165-R169 WeakPolarHBondContact O-CA 3.33Å; L165-R169 PolarHBondContact O-N 2.77Å; N166-R169 PolarHBondContact O-N 3.36Å; N166-R169 VanDerWaalsContact O-N 3.16Å; F167-R169 VanDerWaalsContact C-N 3.35Å
170V95.8Very high96.8Very high10 Ų1053.2 Ų53.26%0.06128%0.283CS..  trans-92.3134.7172.8179.80000107.9V108 I130 L165 R168V108-V170 HydrophobicContact CG2-CG2 3.9Å; I130-V170 HydrophobicContact CD1-CG1 3.76Å; L165-V170 CarbonylContact C-O 3.49Å; L165-V170 WeakPolarHBondContact CB-O 3.45Å; L165-V170 HydrophobicContact CD2-CB 3.89Å; L165-V170 HydrophobicContact CD2-CG1 3.78Å; L165-V170 PolarHBondContact O-N 2.91Å; R168-V170 HydrophobicContact CB-CG2 3.94Å; R168-V170 PolarHBondContact O-N 3.35Å
171A93.3Very high96.8Very high13 Ų1353.2 Ų53.211%0.10728%0.283CS..SBendtrans51.961.1-179.700000113.8I130 G173 W174I130-A171 HydrophobicContact CG2-CB 3.9Å; A171-G173 PolarHBondContact O-N 3.31Å; A171-W174 PolarHBondContact O-N 3.09Å
172P91.6Very high96.8Very high114 Ų11454.6 Ų54.674%0.7429%0.291SS*.THydrogen-bonded Turntrans-60.2-17.1-176.125.7-35.7000114.6
173G93.8Very high96.8Very high37 Ų3759.9 Ų59.938%0.38131%0.314SS..THydrogen-bonded Turntrans-94.317.2176.800000115.1A171 C175 V176A171-G173 PolarHBondContact O-N 3.31Å; G173-C175 PolarHBondContact O-N 2.67Å; G173-C175 VanDerWaalsContact O-N 3.08Å; G173-V176 WeakPolarHBondContact O-CB 3.38Å; G173-V176 PolarHBondContact O-N 3.33Å
174W96.9Very high96.9Very high21 Ų2159.5 Ų59.58%0.0831%0.311CS..THydrogen-bonded Turntrans-56.6-26.6-177.173.3-94.4000113.5L134 V162 N166 A171 R178 L181 V182 V185L134-W174 HydrophobicContact CD1-CB 3.65Å; V162-W174 HydrophobicContact CG1-CD2 3.79Å; V162-W174 VanDerWaalsContact CG1-CE2 3.47Å; V162-W174 HydrophobicContact CG1-CE3 3.94Å; V162-W174 HydrophobicContact CG1-CH2 3.56Å; V162-W174 HydrophobicContact CG1-CZ2 3.37Å; V162-W174 HydrophobicContact CG1-CZ3 3.84Å; V162-W174 HydrophobicContact CG2-CE3 4.17Å; V162-W174 HydrophobicContact CG2-CZ3 4.31Å; N166-W174 PolarHBondContact OD1-NE1 2.72Å; A171-W174 PolarHBondContact O-N 3.09Å; W174-R178 WeakPolarHBondContact O-CD 3.47Å; W174-R178 PolarHBondContact O-NH1 3.01Å; W174-L181 HydrophobicContact CE3-CD2 4.37Å; W174-L181 HydrophobicContact CZ3-CD2 4.45Å; W174-L181 HydrophobicContact CZ3-CG 4.21Å; W174-V182 HydrophobicContact CH2-CB 4.44Å; W174-V182 HydrophobicContact CH2-CG2 3.8Å; W174-V182 HydrophobicContact CZ3-CG2 3.76Å; W174-V185 HydrophobicContact CH2-CB 4.41Å; W174-V185 HydrophobicContact CH2-CG1 4.45Å
175C97.1Very high96.9Very high59 Ų5959.1 Ų59.140%0.39931%0.309SS..THydrogen-bonded Turntrans-81.3-16.5-179.258.20000114G173 D177 R178 V182G173-C175 PolarHBondContact O-N 2.67Å; G173-C175 VanDerWaalsContact O-N 3.08Å; C175-D177 PolarHBondContact O-N 2.95Å; C175-R178 PolarHBondContact O-N 3.19Å; C175-V182 HydrophobicContact CB-CG2 3.58Å
176V96.9Very high96.9Very high83 Ų8364.9 Ų64.950%0.50334%0.336SS..THydrogen-bonded Turntrans-65.4128.3-178.7179.30000109.2G173 R178G173-V176 WeakPolarHBondContact O-CB 3.38Å; G173-V176 PolarHBondContact O-N 3.33Å; V176-R178 PolarHBondContact O-N 3.5Å; V176-R178 PolarHBondContact O-NH1 3.34Å
177D96.8Very high96.9Very high144 Ų14464.4 Ų64.477%0.7733%0.333SS*.THydrogen-bonded Turntrans61.318.3-178.3-53.8-40.8000115.4C175 P179C175-D177 PolarHBondContact O-N 2.95Å; D177-P179 VanDerWaalsContact C-CD 3.43Å
178R98.4Very high97Very high22 Ų2262.3 Ų62.38%0.08332%0.324CS..  trans-128.554.8-179.3-56.5-178-161.973.910.8113.5D135 E138 W174 C175 V176 H180 L181 V182D135-R178 IonicContact OD1-CZ 3.91Å; D135-R178 IonicContact OD1-NE 2.76Å; D135-R178 PolarHBondContact OD1-NE 3.23Å; D135-R178 IonicContact OD1-NH2 2.86Å; D135-R178 PolarHBondContact OD1-NH2 3.03Å; D135-R178 IonicContact OD2-NH2 2.79Å; E138-R178 HydrophobicContact CB-CB 4.22Å; E138-R178 HydrophobicContact CB-CG 4.01Å; E138-R178 VanDerWaalsContact CD-CA 3.42Å; E138-R178 HydrophobicContact CG-CB 4.18Å; E138-R178 HydrophobicContact CG-CG 4.19Å; E138-R178 VanDerWaalsContact OE2-C 3.23Å; E138-R178 WeakPolarHBondContact OE2-CA 3.29Å; W174-R178 WeakPolarHBondContact O-CD 3.47Å; W174-R178 PolarHBondContact O-NH1 3.01Å; C175-R178 PolarHBondContact O-N 3.19Å; V176-R178 PolarHBondContact O-N 3.5Å; V176-R178 PolarHBondContact O-NH1 3.34Å; R178-H180 VanDerWaalsContact C-N 3.32Å; R178-H180 PolarHBondContact O-N 3.35Å; R178-L181 HydrophobicContact CB-CB 4.07Å; R178-L181 HydrophobicContact CB-CD2 4.41Å; R178-L181 PolarHBondContact O-N 3.4Å; R178-V182 WeakPolarHBondContact O-CG2 3.28Å; R178-V182 PolarHBondContact O-N 3.33Å
179P98.5Very high97.1Very high84 Ų8461.4 Ų61.455%0.54532%0.323SS..Hα-helixtrans-64.3-31.1-17327.2-36000113.8E138 D177 K183E138-P179 VanDerWaalsContact OE1-CD 3.28Å; E138-P179 WeakPolarHBondContact OE1-CD 3.39Å; D177-P179 VanDerWaalsContact C-CD 3.43Å; P179-K183 PolarHBondContact O-N 3.31Å; P179-K183 VanDerWaalsContact O-N 3.09Å
180H98.7Very high97.2Very high81 Ų8155.6 Ų55.638%0.37532%0.316SS..Hα-helixtrans-74.7-38.5179.6-56.285.2000111E138 L141 R178 V182 K183 L184E138-H180 WeakPolarHBondContact OE1-CB 3.33Å; E138-H180 IonicContact OE1-CE1 3.94Å; E138-H180 IonicContact OE1-CG 2.66Å; E138-H180 PolarHBondContact OE1-N 3.24Å; E138-H180 VanDerWaalsContact OE1-N 3.09Å; E138-H180 IonicContact OE1-ND1 3.1Å; E138-H180 PolarHBondContact OE1-ND1 3.13Å; E138-H180 PolarHBondContact OE2-N 3Å; L141-H180 HydrophobicContact CB-CB 3.6Å; L141-H180 HydrophobicContact CD1-CB 4.19Å; L141-H180 HydrophobicContact CG-CB 4.43Å; R178-H180 VanDerWaalsContact C-N 3.32Å; R178-H180 PolarHBondContact O-N 3.35Å; H180-V182 VanDerWaalsContact C-N 3.34Å; H180-K183 PolarHBondContact O-N 2.94Å; H180-L184 PolarHBondContact O-N 2.95Å
181L98.8Very high97.3Very high0 Ų059.4 Ų59.40%033%0.33CS..Hα-helixtrans-63-42.4174.1-179.159.4000111L134 L137 E138 L141 I158 W174 R178 K183 L184 V185L134-L181 HydrophobicContact CB-CD2 4.39Å; L134-L181 HydrophobicContact CD2-CD2 3.72Å; L137-L181 HydrophobicContact CB-CD1 4.39Å; L137-L181 HydrophobicContact CB-CD2 4.49Å; E138-L181 VanDerWaalsContact OE2-CB 3.25Å; E138-L181 WeakPolarHBondContact OE2-CB 3.31Å; E138-L181 PolarHBondContact OE2-N 3.45Å; L141-L181 VanDerWaalsContact CD1-CA 3.42Å; L141-L181 HydrophobicContact CD1-CB 3.95Å; L141-L181 HydrophobicContact CD1-CD1 4.14Å; I158-L181 HydrophobicContact CG2-CD1 3.52Å; W174-L181 HydrophobicContact CE3-CD2 4.37Å; W174-L181 HydrophobicContact CZ3-CD2 4.45Å; W174-L181 HydrophobicContact CZ3-CG 4.21Å; R178-L181 HydrophobicContact CB-CB 4.07Å; R178-L181 HydrophobicContact CB-CD2 4.41Å; R178-L181 PolarHBondContact O-N 3.4Å; L181-K183 VanDerWaalsContact C-N 3.32Å; L181-K183 PolarHBondContact O-N 3.19Å; L181-L184 HydrophobicContact CD1-CD2 4.36Å; L181-L184 PolarHBondContact O-N 2.93Å; L181-V185 HydrophobicContact CD1-CG2 4.24Å; L181-V185 VanDerWaalsContact O-CG2 3.29Å; L181-V185 WeakPolarHBondContact O-CG2 3.32Å; L181-V185 PolarHBondContact O-N 2.94Å
182V98.6Very high97.5Very high31 Ų3165.1 Ų65.119%0.18835%0.354CS..Hα-helixtrans-54.9-51172.1170.30000110.2W174 C175 R178 H180 L184 V185 E186W174-V182 HydrophobicContact CH2-CB 4.44Å; W174-V182 HydrophobicContact CH2-CG2 3.8Å; W174-V182 HydrophobicContact CZ3-CG2 3.76Å; C175-V182 HydrophobicContact CB-CG2 3.58Å; R178-V182 WeakPolarHBondContact O-CG2 3.28Å; R178-V182 PolarHBondContact O-N 3.33Å; H180-V182 VanDerWaalsContact C-N 3.34Å; V182-L184 PolarHBondContact O-N 3.4Å; V182-V185 PolarHBondContact O-N 2.93Å; V182-E186 HydrophobicContact CG1-CG 4.28Å; V182-E186 WeakPolarHBondContact O-CG 3.23Å; V182-E186 PolarHBondContact O-N 2.75Å
183K98.6Very high97.9Very high111 Ų11160 Ų6048%0.48332%0.321SS..Hα-helixtrans-61.4-41179.8-173.8172.9177.7-178.60113.2T148 P179 H180 L181 N187T148-K183 HydrophobicContact CG2-CB 4.15Å; T148-K183 HydrophobicContact CG2-CD 4.13Å; T148-K183 HydrophobicContact CG2-CG 4.12Å; P179-K183 PolarHBondContact O-N 3.31Å; P179-K183 VanDerWaalsContact O-N 3.09Å; H180-K183 PolarHBondContact O-N 2.94Å; L181-K183 VanDerWaalsContact C-N 3.32Å; L181-K183 PolarHBondContact O-N 3.19Å; K183-N187 WeakPolarHBondContact O-CB 3.39Å; K183-N187 VanDerWaalsContact O-CG 3.24Å; K183-N187 PolarHBondContact O-N 3.37Å; K183-N187 VanDerWaalsContact O-N 3.08Å; K183-N187 PolarHBondContact O-ND2 3.05Å
184L98.7Very high98.1Very high0 Ų058.3 Ų58.30%030%0.303CS..Hα-helixtrans-58.7-49.4174.3173.668.6000110.9L141 T155 I158 H180 L181 V182 N187 L188L141-L184 HydrophobicContact CD1-CB 4.2Å; L141-L184 HydrophobicContact CD1-CD2 4.1Å; L141-L184 HydrophobicContact CD2-CB 4.28Å; L141-L184 HydrophobicContact CD2-CD2 4.21Å; T155-L184 HydrophobicContact CG2-CD1 4.07Å; T155-L184 HydrophobicContact CG2-CD2 4.29Å; I158-L184 HydrophobicContact CD1-CD2 4.22Å; I158-L184 HydrophobicContact CG2-CD2 4.12Å; H180-L184 PolarHBondContact O-N 2.95Å; L181-L184 HydrophobicContact CD1-CD2 4.36Å; L181-L184 PolarHBondContact O-N 2.93Å; V182-L184 PolarHBondContact O-N 3.4Å; L184-N187 PolarHBondContact O-N 3.41Å; L184-L188 HydrophobicContact CD1-CD1 3.96Å; L184-L188 HydrophobicContact CG-CD1 3.99Å; L184-L188 WeakPolarHBondContact O-CG 3.25Å; L184-L188 PolarHBondContact O-N 3.08Å; L184-L188 VanDerWaalsContact O-N 3.07Å
185V98.4Very high98.1Very high2 Ų260.2 Ų60.21%0.01232%0.323CS..Hα-helixtrans-65.9-42.2-177.1172.40000111.1V162 W174 L181 V182 N187 L188 F189V162-V185 HydrophobicContact CB-CG1 4.31Å; V162-V185 HydrophobicContact CB-CG2 4.04Å; V162-V185 HydrophobicContact CG1-CG1 3.88Å; V162-V185 HydrophobicContact CG1-CG2 4.13Å; V162-V185 HydrophobicContact CG2-CG2 3.97Å; W174-V185 HydrophobicContact CH2-CB 4.41Å; W174-V185 HydrophobicContact CH2-CG1 4.45Å; L181-V185 HydrophobicContact CD1-CG2 4.24Å; L181-V185 VanDerWaalsContact O-CG2 3.29Å; L181-V185 WeakPolarHBondContact O-CG2 3.32Å; L181-V185 PolarHBondContact O-N 2.94Å; V182-V185 PolarHBondContact O-N 2.93Å; V185-N187 PolarHBondContact O-N 3.23Å; V185-L188 PolarHBondContact O-N 3.4Å; V185-F189 HydrophobicContact CG1-CD1 4.09Å; V185-F189 HydrophobicContact CG1-CD2 3.71Å; V185-F189 HydrophobicContact CG1-CE1 3.77Å; V185-F189 HydrophobicContact CG1-CE2 3.34Å; V185-F189 HydrophobicContact CG1-CG 4.07Å; V185-F189 HydrophobicContact CG1-CZ 3.37Å; V185-F189 WeakPolarHBondContact O-CB 3.46Å; V185-F189 VanDerWaalsContact O-CG 3.29Å; V185-F189 WeakPolarHBondContact O-CG 3.41Å; V185-F189 PolarHBondContact O-N 3.08Å
186E98.1Very high98Very high122 Ų12265.1 Ų65.157%0.5733%0.333SS*.Hα-helixtrans-59.4-45.7175.7-74.3176.2162.300111.9V182 L188 F189 S190V182-E186 HydrophobicContact CG1-CG 4.28Å; V182-E186 WeakPolarHBondContact O-CG 3.23Å; V182-E186 PolarHBondContact O-N 2.75Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 PolarHBondContact O-N 2.86Å; E186-F189 PolarHBondContact O-N 3.23Å; E186-S190 PolarHBondContact O-N 2.79Å; E186-S190 VanDerWaalsContact O-N 3.1Å
187N98.2Very high98.1Very high63 Ų6362.1 Ų62.134%0.33732%0.316SS..Hα-helixtrans-59.3-44.3176.4-74.5-17.4000111.5T148 K183 L184 V185 S190T148-N187 PolarHBondContact O-ND2 2.86Å; K183-N187 WeakPolarHBondContact O-CB 3.39Å; K183-N187 VanDerWaalsContact O-CG 3.24Å; K183-N187 PolarHBondContact O-N 3.37Å; K183-N187 VanDerWaalsContact O-N 3.08Å; K183-N187 PolarHBondContact O-ND2 3.05Å; L184-N187 PolarHBondContact O-N 3.41Å; V185-N187 PolarHBondContact O-N 3.23Å; N187-S190 PolarHBondContact O-N 3.06Å; N187-S190 PolarHBondContact O-OG 3.41Å
188L98.5Very high98.1Very high3 Ų362 Ų622%0.01631%0.31CS..Hα-helixtrans-69-41.6178.9-72.3164.8000112.2V151 T155 A159 L184 V185 E186 S190 R191 F194V151-L188 HydrophobicContact CG2-CD2 4.18Å; T155-L188 WeakPolarHBondContact O-CD1 3.43Å; A159-L188 HydrophobicContact CB-CB 3.88Å; A159-L188 HydrophobicContact CB-CD1 3.57Å; A159-L188 HydrophobicContact CB-CG 4.38Å; L184-L188 HydrophobicContact CD1-CD1 3.96Å; L184-L188 HydrophobicContact CG-CD1 3.99Å; L184-L188 WeakPolarHBondContact O-CG 3.25Å; L184-L188 PolarHBondContact O-N 3.08Å; L184-L188 VanDerWaalsContact O-N 3.07Å; V185-L188 PolarHBondContact O-N 3.4Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 PolarHBondContact O-N 2.86Å; L188-S190 PolarHBondContact O-N 3.25Å; L188-R191 VanDerWaalsContact O-CB 3.29Å; L188-R191 WeakPolarHBondContact O-CB 3.41Å; L188-R191 WeakPolarHBondContact O-CG 3.47Å; L188-R191 PolarHBondContact O-N 3.06Å; L188-F194 HydrophobicContact CB-CD2 4.35Å; L188-F194 HydrophobicContact CB-CE1 4.34Å; L188-F194 HydrophobicContact CB-CE2 3.85Å; L188-F194 HydrophobicContact CB-CZ 3.85Å; L188-F194 HydrophobicContact CD2-CE2 3.98Å; L188-F194 HydrophobicContact CD2-CZ 4.32Å; L188-F194 HydrophobicContact CG-CE2 4.46Å; L188-F194 HydrophobicContact CG-CZ 4.48Å; L188-F194 WeakPolarHBondContact O-CB 3.45Å; L188-F194 WeakPolarHBondContact O-CD2 3.5Å; L188-F194 VanDerWaalsContact O-CG 3.23Å; L188-F194 WeakPolarHBondContact O-CG 3.31Å
189F98Very high97.9Very high70 Ų7062 Ų6231%0.30731%0.313SS..Hα-helixtrans-63.9-23.1177.7-74.5-0.2000113.2A159 V185 E186 R191 F194A159-F189 HydrophobicContact CB-CD1 4.36Å; A159-F189 HydrophobicContact CB-CE1 3.95Å; A159-F189 WeakPolarHBondContact O-CE1 3.26Å; V185-F189 HydrophobicContact CG1-CD1 4.09Å; V185-F189 HydrophobicContact CG1-CD2 3.71Å; V185-F189 HydrophobicContact CG1-CE1 3.77Å; V185-F189 HydrophobicContact CG1-CE2 3.34Å; V185-F189 HydrophobicContact CG1-CG 4.07Å; V185-F189 HydrophobicContact CG1-CZ 3.37Å; V185-F189 WeakPolarHBondContact O-CB 3.46Å; V185-F189 VanDerWaalsContact O-CG 3.29Å; V185-F189 WeakPolarHBondContact O-CG 3.41Å; V185-F189 PolarHBondContact O-N 3.08Å; E186-F189 PolarHBondContact O-N 3.23Å; F189-R191 PolarHBondContact O-N 2.98Å; F189-F194 AromaticContact CD1-CD1 3.6Å; F189-F194 HydrophobicContact CD1-CD1 3.6Å; F189-F194 HydrophobicContact CD1-CE1 4.06Å; F189-F194 HydrophobicContact CD1-CG 4.34Å; F189-F194 AromaticContact CE1-CD1 3.94Å; F189-F194 HydrophobicContact CE1-CD1 3.94Å; F189-F194 HydrophobicContact CE1-CE1 4.12Å
190S97.5Very high97.5Very high98 Ų9861.1 Ų61.169%0.68531%0.307SS*.THydrogen-bonded Turntrans-72.3-11.4173.878.60000114.3E186 N187 L188E186-S190 PolarHBondContact O-N 2.79Å; E186-S190 VanDerWaalsContact O-N 3.1Å; N187-S190 PolarHBondContact O-N 3.06Å; N187-S190 PolarHBondContact O-OG 3.41Å; L188-S190 PolarHBondContact O-N 3.25Å
191R98.2Very high96.8Very high90 Ų9067 Ų6734%0.3433%0.332SS..SBendtrans-79.5146.9-177.3-56.8-177.769770.1111.7E21 L188 F189 S193 F194 A195E21-R191 IonicContact OE1-CZ 3.05Å; E21-R191 IonicContact OE1-NE 3.92Å; E21-R191 PolarHBondContact OE1-NE 3.08Å; E21-R191 IonicContact OE1-NH2 3.89Å; E21-R191 PolarHBondContact OE1-NH2 2.68Å; E21-R191 IonicContact OE2-CZ 2.9Å; E21-R191 IonicContact OE2-NE 2.78Å; E21-R191 IonicContact OE2-NH2 2.79Å; E21-R191 PolarHBondContact OE2-NH2 2.69Å; L188-R191 VanDerWaalsContact O-CB 3.29Å; L188-R191 WeakPolarHBondContact O-CB 3.41Å; L188-R191 WeakPolarHBondContact O-CG 3.47Å; L188-R191 PolarHBondContact O-N 3.06Å; F189-R191 PolarHBondContact O-N 2.98Å; R191-S193 VanDerWaalsContact C-N 3.27Å; R191-S193 PolarHBondContact O-N 3.22Å; R191-F194 HydrophobicContact CB-CD2 4.16Å; R191-F194 PolarHBondContact O-N 3.48Å; R191-F194 VanDerWaalsContact O-N 3.09Å; R191-A195 PolarHBondContact O-N 2.84Å
192E98.1Very high95.2Very high133 Ų13374.7 Ų74.762%0.62140%0.395SS*.Hα-helixtrans-57.4-40.6179.1-167.7-162.4136.200112.2F194 A195 R196E192-F194 VanDerWaalsContact C-N 3.28Å; E192-F194 PolarHBondContact O-N 2.99Å; E192-A195 PolarHBondContact O-N 3.21Å; E192-R196 HydrophobicContact CG-CG 4.21Å; E192-R196 WeakPolarHBondContact O-CB 3.39Å; E192-R196 VanDerWaalsContact O-CG 3.32Å; E192-R196 WeakPolarHBondContact O-CG 3.44Å; E192-R196 PolarHBondContact O-N 3.06Å; E192-R196 WeakPolarHBondContact OE1-CD 3.38Å; E192-R196 IonicContact OE1-CZ 3.23Å; E192-R196 IonicContact OE1-NE 3.19Å; E192-R196 IonicContact OE1-NH1 3.86Å; E192-R196 PolarHBondContact OE1-NH1 3.25Å
193S98.2Very high95Very high6 Ų676.9 Ų76.94%0.04241%0.406CS..Hα-helixtrans-58.1-39.1177.959.60000112.5E21 R191 T197E21-S193 WeakPolarHBondContact OE1-CB 3.46Å; E21-S193 PolarHBondContact OE1-OG 3.31Å; R191-S193 VanDerWaalsContact C-N 3.27Å; R191-S193 PolarHBondContact O-N 3.22Å; S193-T197 VanDerWaalsContact O-CG2 3.28Å; S193-T197 WeakPolarHBondContact O-CG2 3.35Å; S193-T197 PolarHBondContact O-N 3.36Å; S193-T197 PolarHBondContact O-OG1 2.88Å
194F98.3Very high94.8Very high1 Ų175.1 Ų75.10%0.00440%0.402CS..Hα-helixtrans-74.1-41.8176.9-83.3-95.4000112.3R13 I17 I156 A159 L188 F189 R191 E192 T197 E198R13-F194 PolarHBondContact NH2-O 3.45Å; I17-F194 HydrophobicContact CD1-CD1 3.59Å; I17-F194 HydrophobicContact CD1-CD2 4.03Å; I17-F194 HydrophobicContact CD1-CE1 3.51Å; I17-F194 HydrophobicContact CD1-CE2 3.99Å; I17-F194 HydrophobicContact CD1-CG 3.86Å; I17-F194 HydrophobicContact CD1-CZ 3.73Å; I17-F194 HydrophobicContact CG1-CD2 4.46Å; I17-F194 HydrophobicContact CG2-CD2 4.14Å; I17-F194 HydrophobicContact CG2-CE2 3.76Å; I17-F194 HydrophobicContact CG2-CZ 4.28Å; I156-F194 HydrophobicContact CG1-CE2 4.45Å; I156-F194 HydrophobicContact CG2-CZ 4.41Å; A159-F194 HydrophobicContact CB-CD1 4.44Å; A159-F194 HydrophobicContact CB-CE1 3.38Å; A159-F194 HydrophobicContact CB-CZ 3.59Å; L188-F194 HydrophobicContact CB-CD2 4.35Å; L188-F194 HydrophobicContact CB-CE1 4.34Å; L188-F194 HydrophobicContact CB-CE2 3.85Å; L188-F194 HydrophobicContact CB-CZ 3.85Å; L188-F194 HydrophobicContact CD2-CE2 3.98Å; L188-F194 HydrophobicContact CD2-CZ 4.32Å; L188-F194 HydrophobicContact CG-CE2 4.46Å; L188-F194 HydrophobicContact CG-CZ 4.48Å; L188-F194 WeakPolarHBondContact O-CB 3.45Å; L188-F194 WeakPolarHBondContact O-CD2 3.5Å; L188-F194 VanDerWaalsContact O-CG 3.23Å; L188-F194 WeakPolarHBondContact O-CG 3.31Å; F189-F194 AromaticContact CD1-CD1 3.6Å; F189-F194 HydrophobicContact CD1-CD1 3.6Å; F189-F194 HydrophobicContact CD1-CE1 4.06Å; F189-F194 HydrophobicContact CD1-CG 4.34Å; F189-F194 AromaticContact CE1-CD1 3.94Å; F189-F194 HydrophobicContact CE1-CD1 3.94Å; F189-F194 HydrophobicContact CE1-CE1 4.12Å; R191-F194 HydrophobicContact CB-CD2 4.16Å; R191-F194 PolarHBondContact O-N 3.48Å; R191-F194 VanDerWaalsContact O-N 3.09Å; E192-F194 VanDerWaalsContact C-N 3.28Å; E192-F194 PolarHBondContact O-N 2.99Å; F194-T197 PolarHBondContact O-N 3.19Å; F194-T197 PolarHBondContact O-OG1 2.94Å; F194-E198 PolarHBondContact O-N 2.66Å
195A96.7Very high94.6Very high62 Ų6279.2 Ų79.251%0.51242%0.424SS..Hα-helixtrans-62.5-42177.200000111.8R191 E192 T197 E198R191-A195 PolarHBondContact O-N 2.84Å; E192-A195 PolarHBondContact O-N 3.21Å; A195-T197 PolarHBondContact O-N 2.78Å; A195-E198 PolarHBondContact O-N 3.24Å
196R96.7Very high94.4Very high161 Ų16183.8 Ų83.861%0.60845%0.448SS*.THydrogen-bonded Turntrans-70.6-14.3179.4-73.7175.860.7-177.4-2.7114.5L20 E192L20-R196 HydrophobicContact CD1-CB 4.2Å; E192-R196 HydrophobicContact CG-CG 4.21Å; E192-R196 WeakPolarHBondContact O-CB 3.39Å; E192-R196 VanDerWaalsContact O-CG 3.32Å; E192-R196 WeakPolarHBondContact O-CG 3.44Å; E192-R196 PolarHBondContact O-N 3.06Å; E192-R196 WeakPolarHBondContact OE1-CD 3.38Å; E192-R196 IonicContact OE1-CZ 3.23Å; E192-R196 IonicContact OE1-NE 3.19Å; E192-R196 IonicContact OE1-NH1 3.86Å; E192-R196 PolarHBondContact OE1-NH1 3.25Å
197T97.8Very high94.2Very high21 Ų2181.4 Ų81.413%0.12944%0.44CS..THydrogen-bonded Turntrans-11916.9-175.760.60000112.2R13 I17 L20 S193 F194 A195R13-T197 WeakPolarHBondContact CD-O 3.28Å; R13-T197 PolarHBondContact NE-O 3.36Å; R13-T197 PolarHBondContact NE-OG1 2.91Å; I17-T197 HydrophobicContact CG1-CG2 4.21Å; I17-T197 VanDerWaalsContact CG1-OG1 3.31Å; I17-T197 WeakPolarHBondContact CG1-OG1 3.38Å; L20-T197 HydrophobicContact CD1-CG2 3.59Å; S193-T197 VanDerWaalsContact O-CG2 3.28Å; S193-T197 WeakPolarHBondContact O-CG2 3.35Å; S193-T197 PolarHBondContact O-N 3.36Å; S193-T197 PolarHBondContact O-OG1 2.88Å; F194-T197 PolarHBondContact O-N 3.19Å; F194-T197 PolarHBondContact O-OG1 2.94Å; A195-T197 PolarHBondContact O-N 2.78Å
198E96.3Very high93.9Very high141 Ų14182.6 Ų82.666%0.65945%0.447SS*.PPolyproline II helixtrans-61.2131.6176.2-163.3174-169.700110.5F194 A195F194-E198 PolarHBondContact O-N 2.66Å; A195-E198 PolarHBondContact O-N 3.24Å
199P94.2Very high93.6Very high21 Ų2188.3 Ų88.314%0.13648%0.478CS..PPolyproline II helixtrans-62.114017924.2-33.1000110.5F167F167-P199 HydrophobicContact CB-CG 3.97Å; F167-P199 HydrophobicContact CD1-CB 4.06Å; F167-P199 HydrophobicContact CD1-CG 4.13Å; F167-P199 HydrophobicContact CD2-CB 3.96Å; F167-P199 HydrophobicContact CD2-CG 3.76Å; F167-P199 HydrophobicContact CE1-CB 4.1Å; F167-P199 HydrophobicContact CE2-CB 4Å; F167-P199 HydrophobicContact CE2-CG 4.3Å; F167-P199 HydrophobicContact CG-CB 4Å; F167-P199 HydrophobicContact CG-CG 3.67Å; F167-P199 HydrophobicContact CZ-CB 4.07Å
200P91.7Very high93.2Very high66 Ų6689.7 Ų89.743%0.42949%0.491SS..PPolyproline II helixtrans-61.5142.6-178.825-34.2000110.4T8 F167 A202T8-P200 HydrophobicContact CG2-CG 4.25Å; F167-P200 VanDerWaalsContact CE2-O 3.25Å; F167-P200 WeakPolarHBondContact CE2-O 3.48Å; P200-A202 PolarHBondContact O-N 2.79Å
201K83.7Confident92.9Very high205 Ų20589 Ų8989%0.89148%0.475SS*.PPolyproline II helixtrans-57.9133.7175.1-65.3-177.9-178.8178.20109.4
202A64.5Low92.4Very high161 Ų16188.9 Ų88.9100%1.33149%0.487SS*.  trans-66.5017600000111.9P200P200-A202 PolarHBondContact O-N 2.79Å

Retrieved 202 of 202 residues in 542.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).